A0A096NE53_PAPAN Loading...

Scaffold protein ILK

AlphaFold DB (Q13418), UniProt , Accession A0A096NE53, Species PAPAN (Papio anubis, Olive baboon), Gene ILK, Length 452 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
1M51Low88.2Confident209 Ų20967 Ų67100%1.0334%0.339SS*.  0114.20-168172.8-74.800104.2
2D67.9Low88.9Confident96 Ų9666.8 Ų66.851%0.51334%0.34SS..  trans-58.1157.6179.5-46.9-59.1000109.4T6 Q7D2-T6 HydrophobicContact CB-CG2 3.86Å; D2-Q7 PolarHBondContact OD2-NE2 2.63Å
3D89.9Confident89.4Confident88 Ų8863.8 Ų63.847%0.47133%0.331SS..  trans-57.4157.117864.135.5000111.3F5 T6 Q7D3-F5 HydrophobicContact CB-CD2 4.4Å; D3-F5 PolarHBondContact O-N 2.89Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 PolarHBondContact OD1-N 2.98Å; D3-T6 PolarHBondContact O-N 3.48Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 VanDerWaalsContact OD1-CB 3.32Å; D3-T6 WeakPolarHBondContact OD1-CB 2.95Å; D3-T6 PolarHBondContact OD1-N 3.06Å; D3-T6 PolarHBondContact OD1-OG1 2.75Å; D3-Q7 PolarHBondContact O-N 2.7Å
4I93.3Very high89.8Confident16 Ų1666 Ų668%0.08235%0.348CS..Hα-helixtrans-56.9-31.6-178.9-176.656.4000112.1Q7 C8 V16 W19 P37I4-Q7 PolarHBondContact O-N 3.2Å; I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 3.26Å; I4-C8 PolarHBondContact O-SG 3.1Å; I4-C8 VanDerWaalsContact O-SG 3.33Å; I4-V16 HydrophobicContact CD1-CB 4.34Å; I4-V16 HydrophobicContact CD1-CG1 4.35Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; I4-W19 HydrophobicContact CB-CD2 3.96Å; I4-W19 HydrophobicContact CB-CG 4.18Å; I4-W19 HydrophobicContact CB-CZ2 4.09Å; I4-W19 HydrophobicContact CD1-CB 3.81Å; I4-W19 HydrophobicContact CD1-CD2 3.61Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.64Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.01Å; I4-W19 HydrophobicContact CG1-CH2 4.19Å; I4-W19 HydrophobicContact CG1-CZ2 4.1Å; I4-W19 HydrophobicContact CG1-CZ3 4.02Å; I4-W19 HydrophobicContact CG2-CH2 4.37Å; I4-W19 HydrophobicContact CG2-CZ2 3.83Å; I4-P37 HydrophobicContact CG1-CG 4.26Å
5F94.2Very high90.1Very high32 Ų3262.7 Ų62.714%0.1433%0.334CS..Hα-helixtrans-66.1-42.8-179.1-51.6-63.9000110.9D3 C8 R9 D31 F35 P37 W40D3-F5 HydrophobicContact CB-CD2 4.4Å; D3-F5 PolarHBondContact O-N 2.89Å; D3-F5 VanDerWaalsContact O-N 3.14Å; D3-F5 PolarHBondContact OD1-N 2.98Å; F5-C8 PolarHBondContact O-N 3.46Å; F5-R9 VanDerWaalsContact O-CG 3.23Å; F5-R9 WeakPolarHBondContact O-CG 3.36Å; F5-R9 PolarHBondContact O-N 3.13Å; F5-D31 HydrophobicContact CD1-CB 4.35Å; F5-D31 HydrophobicContact CD2-CB 3.92Å; F5-D31 HydrophobicContact CE1-CB 4.06Å; F5-D31 HydrophobicContact CE2-CB 3.63Å; F5-D31 HydrophobicContact CG-CB 4.27Å; F5-D31 HydrophobicContact CZ-CB 3.71Å; F5-D31 VanDerWaalsContact CZ-N 3.3Å; F5-F35 WeakPolarHBondContact CE1-O 3.33Å; F5-P37 HydrophobicContact CD1-CG 4.47Å; F5-P37 HydrophobicContact CE1-CG 4.23Å; F5-W40 AromaticContact CD1-CD1 3.63Å; F5-W40 AromaticContact CD1-NE1 3.96Å
6T95.6Very high90.4Very high36 Ų3658.8 Ų58.822%0.22131%0.314CS..Hα-helixtrans-61-47.1174.1-56.90000110.6D2 D3 C8 R9 E10D2-T6 HydrophobicContact CB-CG2 3.86Å; D3-T6 PolarHBondContact O-N 3.48Å; D3-T6 VanDerWaalsContact O-N 3.15Å; D3-T6 VanDerWaalsContact OD1-CB 3.32Å; D3-T6 WeakPolarHBondContact OD1-CB 2.95Å; D3-T6 PolarHBondContact OD1-N 3.06Å; D3-T6 PolarHBondContact OD1-OG1 2.75Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 2.95Å; T6-R9 WeakPolarHBondContact O-CB 3.43Å; T6-R9 PolarHBondContact O-N 2.84Å; T6-R9 VanDerWaalsContact O-N 3.08Å; T6-E10 HydrophobicContact CG2-CG 4.46Å; T6-E10 WeakPolarHBondContact O-CG 3.43Å; T6-E10 PolarHBondContact O-N 2.66Å
7Q95.7Very high90.6Very high13 Ų1362.9 Ų62.96%0.06132%0.324CS..Hα-helixtrans-61.2-38.8177.5-59.8-58.7-42.200112.3D2 D3 I4 G11 N12 A15 V16D2-Q7 PolarHBondContact OD2-NE2 2.63Å; D3-Q7 PolarHBondContact O-N 2.7Å; I4-Q7 PolarHBondContact O-N 3.2Å; Q7-G11 PolarHBondContact O-N 3.14Å; Q7-N12 HydrophobicContact CB-CB 4.48Å; Q7-N12 PolarHBondContact O-N 3.22Å; Q7-N12 PolarHBondContact OE1-ND2 2.97Å; Q7-A15 HydrophobicContact CB-CB 4.14Å; Q7-A15 HydrophobicContact CG-CB 3.84Å; Q7-V16 HydrophobicContact CB-CG2 4.11Å
8C96.2Very high90.7Very high0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-67.4-36.9173.7-73.50000112.8I4 F5 T6 G11 W40 R46 V49I4-C8 WeakPolarHBondContact O-CB 3.49Å; I4-C8 PolarHBondContact O-N 3.26Å; I4-C8 PolarHBondContact O-SG 3.1Å; I4-C8 VanDerWaalsContact O-SG 3.33Å; F5-C8 PolarHBondContact O-N 3.46Å; T6-C8 VanDerWaalsContact C-N 3.31Å; T6-C8 PolarHBondContact O-N 2.95Å; C8-G11 PolarHBondContact O-N 2.89Å; C8-W40 HydrophobicContact CB-CB 4.32Å; C8-R46 WeakPolarHBondContact O-CG 3.38Å; C8-V49 HydrophobicContact CB-CG1 4.39Å
9R95.7Very high90.8Very high107 Ų10764.7 Ų64.740%0.40433%0.33SS..Hα-helixtrans-69.4-39.4177-72.2172.667.4-161.3-3.8112.5F5 T6 G11 W40 E44 R46F5-R9 VanDerWaalsContact O-CG 3.23Å; F5-R9 WeakPolarHBondContact O-CG 3.36Å; F5-R9 PolarHBondContact O-N 3.13Å; T6-R9 WeakPolarHBondContact O-CB 3.43Å; T6-R9 PolarHBondContact O-N 2.84Å; T6-R9 VanDerWaalsContact O-N 3.08Å; R9-G11 VanDerWaalsContact C-N 3.29Å; R9-W40 HydrophobicContact CG-CB 3.87Å; R9-W40 HydrophobicContact CG-CD2 3.92Å; R9-W40 HydrophobicContact CG-CE3 3.65Å; R9-W40 HydrophobicContact CG-CG 4.05Å; R9-W40 HydrophobicContact CG-CZ3 4.49Å; R9-E44 HydrophobicContact CB-CG 3.92Å; R9-E44 HydrophobicContact CG-CG 3.92Å; R9-E44 IonicContact NE-OE1 3.06Å; R9-R46 VanDerWaalsContact O-CZ 3.32Å; R9-R46 PolarHBondContact O-NE 2.93Å; R9-R46 PolarHBondContact O-NH2 3.33Å
10E95.7Very high90.8Very high113 Ų11361.7 Ų61.753%0.52831%0.314SS..Hα-helixtrans-75.4-21.1177.7-69.1-179.2172.500112.5T6T6-E10 HydrophobicContact CG2-CG 4.46Å; T6-E10 WeakPolarHBondContact O-CG 3.43Å; T6-E10 PolarHBondContact O-N 2.66Å
11G95.4Very high90.6Very high27 Ų2763 Ų6328%0.27832%0.322SS..THydrogen-bonded Turntrans82.922.3-177.500000113.3Q7 C8 R9 A13Q7-G11 PolarHBondContact O-N 3.14Å; C8-G11 PolarHBondContact O-N 2.89Å; R9-G11 VanDerWaalsContact C-N 3.29Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.16Å
12N96.1Very high92.4Very high65 Ų6556.3 Ų56.335%0.34829%0.29SS..  trans-73.782179.3-172.1-12.7000111.1Q7 V14 A15 V16Q7-N12 HydrophobicContact CB-CB 4.48Å; Q7-N12 PolarHBondContact O-N 3.22Å; Q7-N12 PolarHBondContact OE1-ND2 2.97Å; N12-V14 PolarHBondContact O-N 2.93Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.49Å; N12-A15 HydrophobicContact CB-CB 4.16Å; N12-A15 WeakPolarHBondContact ND2-CB 3.14Å; N12-A15 PolarHBondContact O-N 3.41Å; N12-A15 PolarHBondContact OD1-N 3.37Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; N12-V16 WeakPolarHBondContact O-CG2 3.33Å; N12-V16 PolarHBondContact O-N 3.15Å
13A94.8Very high93.1Very high28 Ų2853.8 Ų53.823%0.23128%0.279CS..Hα-helixtrans-58.2-28.7-177.400000113.5G11 R17 V49 M52G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.16Å; A13-R17 VanDerWaalsContact O-CB 3.26Å; A13-R17 WeakPolarHBondContact O-CB 3.22Å; A13-R17 PolarHBondContact O-N 2.83Å; A13-V49 HydrophobicContact CB-CG2 4.4Å; A13-M52 HydrophobicContact CB-CE 3.9Å; A13-M52 WeakPolarHBondContact O-CE 3.41Å
14V95.1Very high92.8Very high94 Ų9455.7 Ų55.757%0.5729%0.285SS*.Hα-helixtrans-71.9-48.8178.5179.40000110.5N12 V16 R17 L18N12-V14 PolarHBondContact O-N 2.93Å; N12-V14 VanDerWaalsContact O-N 3.15Å; N12-V14 PolarHBondContact OD1-N 3.49Å; V14-V16 VanDerWaalsContact C-N 3.35Å; V14-V16 PolarHBondContact O-N 2.93Å; V14-R17 PolarHBondContact O-N 3.19Å; V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.19Å
15A95.3Very high92.5Very high17 Ų1756.6 Ų56.614%0.1429%0.29CS..Hα-helixtrans-63.4-42177.600000111.7Q7 N12 R17 L18 W19Q7-A15 HydrophobicContact CB-CB 4.14Å; Q7-A15 HydrophobicContact CG-CB 3.84Å; N12-A15 HydrophobicContact CB-CB 4.16Å; N12-A15 WeakPolarHBondContact ND2-CB 3.14Å; N12-A15 PolarHBondContact O-N 3.41Å; N12-A15 PolarHBondContact OD1-N 3.37Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 3.44Å; A15-L18 PolarHBondContact O-N 3.34Å; A15-W19 WeakPolarHBondContact O-CB 2.97Å; A15-W19 PolarHBondContact O-N 2.93Å
16V94.7Very high92Very high0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-60.5-44.6175175.50000110.8I4 Q7 N12 V14 W19 L20 V49 M52 L53I4-V16 HydrophobicContact CD1-CB 4.34Å; I4-V16 HydrophobicContact CD1-CG1 4.35Å; I4-V16 HydrophobicContact CD1-CG2 4.01Å; Q7-V16 HydrophobicContact CB-CG2 4.11Å; N12-V16 WeakPolarHBondContact O-CG2 3.33Å; N12-V16 PolarHBondContact O-N 3.15Å; V14-V16 VanDerWaalsContact C-N 3.35Å; V14-V16 PolarHBondContact O-N 2.93Å; V16-W19 PolarHBondContact O-N 2.95Å; V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.26Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.33Å; V16-V49 HydrophobicContact CG1-CG1 4.23Å; V16-V49 HydrophobicContact CG2-CG1 4.14Å; V16-M52 HydrophobicContact CG1-SD 4.24Å; V16-L53 HydrophobicContact CG1-CD2 4.28Å
17R93.1Very high91.6Very high128 Ų12854 Ų5448%0.48328%0.276SS..Hα-helixtrans-59.8-50.8177.3-173.9-176.7-61.5166.90.6112.1A13 V14 A15 W19 L20 D21 M52A13-R17 VanDerWaalsContact O-CB 3.26Å; A13-R17 WeakPolarHBondContact O-CB 3.22Å; A13-R17 PolarHBondContact O-N 2.83Å; V14-R17 PolarHBondContact O-N 3.19Å; A15-R17 VanDerWaalsContact C-N 3.35Å; A15-R17 PolarHBondContact O-N 3.44Å; R17-W19 VanDerWaalsContact C-N 3.26Å; R17-W19 PolarHBondContact O-N 3.05Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-L20 VanDerWaalsContact O-N 3.11Å; R17-D21 PolarHBondContact O-N 2.92Å; R17-M52 HydrophobicContact CB-CE 4.25Å; R17-M52 HydrophobicContact CB-SD 3.79Å; R17-M52 HydrophobicContact CG-SD 4.39Å
18L92.9Very high91.1Very high108 Ų10853.8 Ų53.857%0.56528%0.275SS*.Hα-helixtrans-59.9-38.9179.1-70.9172.7000111.8V14 A15 D21V14-L18 HydrophobicContact CG1-CD1 4.23Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 3.19Å; A15-L18 PolarHBondContact O-N 3.34Å; L18-D21 PolarHBondContact O-N 3.1Å
19W93.3Very high90.5Very high52 Ų5255.8 Ų55.820%0.19728%0.284CS..Hα-helixtrans-64.8-43.1174.9-175.792.3000111.7I4 A15 V16 R17 D21 N22 N25 D26 L27I4-W19 HydrophobicContact CB-CD2 3.96Å; I4-W19 HydrophobicContact CB-CG 4.18Å; I4-W19 HydrophobicContact CB-CZ2 4.09Å; I4-W19 HydrophobicContact CD1-CB 3.81Å; I4-W19 HydrophobicContact CD1-CD2 3.61Å; I4-W19 HydrophobicContact CD1-CE3 3.76Å; I4-W19 HydrophobicContact CD1-CG 3.64Å; I4-W19 HydrophobicContact CG1-CD2 3.56Å; I4-W19 HydrophobicContact CG1-CE3 3.71Å; I4-W19 HydrophobicContact CG1-CG 4.01Å; I4-W19 HydrophobicContact CG1-CH2 4.19Å; I4-W19 HydrophobicContact CG1-CZ2 4.1Å; I4-W19 HydrophobicContact CG1-CZ3 4.02Å; I4-W19 HydrophobicContact CG2-CH2 4.37Å; I4-W19 HydrophobicContact CG2-CZ2 3.83Å; A15-W19 WeakPolarHBondContact O-CB 2.97Å; A15-W19 PolarHBondContact O-N 2.93Å; V16-W19 PolarHBondContact O-N 2.95Å; R17-W19 VanDerWaalsContact C-N 3.26Å; R17-W19 PolarHBondContact O-N 3.05Å; W19-D21 PolarHBondContact O-N 2.99Å; W19-N22 PolarHBondContact O-N 3.47Å; W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.07Å; W19-N25 HydrophobicContact CH2-CB 3.82Å; W19-N25 HydrophobicContact CZ2-CB 3.58Å; W19-N25 HydrophobicContact CZ3-CB 4.04Å; W19-N25 PolarHBondContact NE1-ND2 3.23Å; W19-N25 PolarHBondContact NE1-OD1 3.18Å; W19-N25 PolarHBondContact O-ND2 2.93Å; W19-D26 WeakPolarHBondContact CH2-O 3.45Å; W19-L27 HydrophobicContact CZ3-CB 4.07Å
20L89.5Confident90.2Very high5 Ų551 Ų513%0.02627%0.269CS..Hα-helixtrans-69-20.6178-68.7169.8000113.7V16 R17 N22 L27 M52 L53 R56V16-L20 HydrophobicContact CG1-CD1 3.75Å; V16-L20 HydrophobicContact CG1-CG 4.26Å; V16-L20 WeakPolarHBondContact O-CB 3.4Å; V16-L20 WeakPolarHBondContact O-CG 3.33Å; V16-L20 PolarHBondContact O-N 3.33Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-L20 VanDerWaalsContact O-N 3.11Å; L20-N22 VanDerWaalsContact C-N 3.28Å; L20-L27 HydrophobicContact CD2-CB 3.46Å; L20-L27 VanDerWaalsContact CD2-CB 3.46Å; L20-L27 HydrophobicContact CD2-CD2 4.09Å; L20-L27 HydrophobicContact CD2-CG 4.42Å; L20-M52 HydrophobicContact CD1-CG 4.21Å; L20-M52 HydrophobicContact CD1-SD 4.16Å; L20-L53 HydrophobicContact CD1-CD2 4.05Å; L20-L53 HydrophobicContact CD2-CD2 4.23Å; L20-R56 HydrophobicContact CD1-CB 4.23Å; L20-R56 HydrophobicContact CD1-CG 3.96Å
21D87.9Confident89.9Confident89 Ų8947 Ų4748%0.47625%0.251SS..THydrogen-bonded Turntrans-77.5-14.7178.1-64.3-17.6000112.2R17 L18 W19 R56R17-D21 PolarHBondContact O-N 2.92Å; L18-D21 PolarHBondContact O-N 3.1Å; W19-D21 PolarHBondContact O-N 2.99Å; D21-R56 IonicContact OD1-CZ 2.86Å; D21-R56 VanDerWaalsContact OD1-CZ 3.3Å; D21-R56 IonicContact OD1-NH1 3.76Å; D21-R56 PolarHBondContact OD1-NH1 3.27Å; D21-R56 IonicContact OD1-NH2 3.48Å; D21-R56 PolarHBondContact OD1-NH2 3.46Å
22N88.3Confident89.5Confident68 Ų6852 Ų5236%0.36427%0.272SS..SBendtrans-82.4121.6170.9-178.8-5.7000110.7W19 L20 E24 N25W19-N22 PolarHBondContact O-N 3.47Å; L20-N22 VanDerWaalsContact C-N 3.28Å; N22-E24 PolarHBondContact O-N 3.06Å; N22-E24 PolarHBondContact OD1-N 3.36Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; N22-N25 WeakPolarHBondContact O-CB 3.48Å; N22-N25 PolarHBondContact O-N 3.03Å; N22-N25 VanDerWaalsContact O-N 3.13Å
23T82.2Confident89.1Confident43 Ų4354.7 Ų54.726%0.26428%0.281SS..THydrogen-bonded Turntrans-66.2-22-174.657.10000115.1N25 I244 F245 S246 F307 L311T23-N25 VanDerWaalsContact C-N 3.31Å; T23-I244 HydrophobicContact CG2-CG2 4.45Å; T23-F245 PolarHBondContact O-N 3.45Å; T23-S246 WeakPolarHBondContact CA-OG 3.42Å; T23-S246 PolarHBondContact O-N 2.9Å; T23-F307 HydrophobicContact CG2-CZ 4.06Å; T23-L311 HydrophobicContact CG2-CD2 3.79Å
24E83Confident88.7Confident128 Ų12853.5 Ų53.560%0.59827%0.272SS*.THydrogen-bonded Turntrans-77.8-19.7178-61-172.916200112.6N22 F245N22-E24 PolarHBondContact O-N 3.06Å; N22-E24 PolarHBondContact OD1-N 3.36Å; N22-E24 VanDerWaalsContact OD1-N 3.1Å; E24-F245 WeakPolarHBondContact O-CD2 3.23Å
25N87.9Confident88.6Confident36 Ų3650.8 Ų50.819%0.19325%0.253CS..  trans-78.5126.6-179.3-75.6-26.5000110.6W19 N22 T23 F245 S246W19-N25 HydrophobicContact CD2-CB 3.89Å; W19-N25 HydrophobicContact CE3-CB 4.07Å; W19-N25 HydrophobicContact CH2-CB 3.82Å; W19-N25 HydrophobicContact CZ2-CB 3.58Å; W19-N25 HydrophobicContact CZ3-CB 4.04Å; W19-N25 PolarHBondContact NE1-ND2 3.23Å; W19-N25 PolarHBondContact NE1-OD1 3.18Å; W19-N25 PolarHBondContact O-ND2 2.93Å; N22-N25 WeakPolarHBondContact O-CB 3.48Å; N22-N25 PolarHBondContact O-N 3.03Å; N22-N25 VanDerWaalsContact O-N 3.13Å; T23-N25 VanDerWaalsContact C-N 3.31Å; N25-F245 CarbonylContact O-C 3.55Å; N25-S246 VanDerWaalsContact O-CA 3.3Å; N25-S246 WeakPolarHBondContact O-CA 3.41Å; N25-S246 PolarHBondContact O-N 3.23Å
26D83.8Confident88.5Confident13 Ų1350 Ų507%0.0725%0.246CC..  trans-98.7108.5173-171.7-7000111.2W19 N28 Q29 T181 N183 F245W19-D26 WeakPolarHBondContact CH2-O 3.45Å; D26-N28 PolarHBondContact O-N 3.16Å; D26-N28 VanDerWaalsContact O-N 3.09Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 2.87Å; D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 VanDerWaalsContact O-CB 3.23Å; D26-Q29 WeakPolarHBondContact O-CB 3.42Å; D26-Q29 PolarHBondContact O-N 2.84Å; D26-T181 WeakPolarHBondContact OD2-CB 3.42Å; D26-T181 WeakPolarHBondContact OD2-CG2 3.31Å; D26-T181 PolarHBondContact OD2-OG1 3.35Å; D26-N183 WeakPolarHBondContact CB-ND2 3.47Å; D26-N183 VanDerWaalsContact CG-ND2 3.31Å; D26-N183 PolarHBondContact OD2-ND2 3.12Å; D26-F245 HydrophobicContact CB-CB 3.58Å; D26-F245 HydrophobicContact CB-CG 4.22Å
27L87Confident88.5Confident1 Ų150 Ų501%0.00525%0.246CC..THydrogen-bonded Turntrans-62.2-13.7176.768.590.7000114.6W19 L20 P37 R56 A58W19-L27 HydrophobicContact CZ3-CB 4.07Å; L20-L27 HydrophobicContact CD2-CB 3.46Å; L20-L27 VanDerWaalsContact CD2-CB 3.46Å; L20-L27 HydrophobicContact CD2-CD2 4.09Å; L20-L27 HydrophobicContact CD2-CG 4.42Å; L27-P37 VanDerWaalsContact O-CD 3.29Å; L27-P37 WeakPolarHBondContact O-CD 3.27Å; L27-R56 HydrophobicContact CD2-CB 4.29Å; L27-R56 WeakPolarHBondContact CD2-O 3.04Å; L27-A58 HydrophobicContact CD1-CB 3.72Å
28N85.3Confident88.6Confident8 Ų844 Ų444%0.04322%0.223CC..THydrogen-bonded Turntrans-97.9-4.4175.9-60.1-68.9000113.2D26 G30 R59D26-N28 PolarHBondContact O-N 3.16Å; D26-N28 VanDerWaalsContact O-N 3.09Å; D26-N28 WeakPolarHBondContact OD1-CB 3.36Å; D26-N28 PolarHBondContact OD1-N 2.87Å; N28-G30 PolarHBondContact O-N 3.36Å; N28-R59 WeakPolarHBondContact OD1-CB 3.32Å; N28-R59 WeakPolarHBondContact OD1-CG 3.38Å; N28-R59 PolarHBondContact OD1-N 3.26Å
29Q84.3Confident88.8Confident41 Ų4138.8 Ų38.819%0.19220%0.196CC..  trans-65.3123.4176-179.263.26600110D26 P37 G180 T181D26-Q29 HydrophobicContact CB-CB 4.07Å; D26-Q29 VanDerWaalsContact O-CB 3.23Å; D26-Q29 WeakPolarHBondContact O-CB 3.42Å; D26-Q29 PolarHBondContact O-N 2.84Å; Q29-P37 WeakPolarHBondContact O-CD 3.41Å; Q29-G180 PolarHBondContact NE2-O 3.17Å; Q29-T181 PolarHBondContact OE1-O 3.25Å
30G87.7Confident89Confident7 Ų738 Ų387%0.07219%0.193CC..  trans-77.7158.417200000112.8N28 F35N28-G30 PolarHBondContact O-N 3.36Å; G30-F35 CarbonylContact C-O 3.44Å; G30-F35 WeakPolarHBondContact CA-O 3.41Å
31D89.7Confident89.4Confident29 Ų2937.8 Ų37.816%0.15519%0.192CC..  trans-68.2-172.4163.467.811.3000111.8F5 H33 G34 F35 W40F5-D31 HydrophobicContact CD1-CB 4.35Å; F5-D31 HydrophobicContact CD2-CB 3.92Å; F5-D31 HydrophobicContact CE1-CB 4.06Å; F5-D31 HydrophobicContact CE2-CB 3.63Å; F5-D31 HydrophobicContact CG-CB 4.27Å; F5-D31 HydrophobicContact CZ-CB 3.71Å; F5-D31 VanDerWaalsContact CZ-N 3.3Å; D31-H33 PolarHBondContact O-N 3.46Å; D31-H33 VanDerWaalsContact OD1-CA 3.31Å; D31-H33 WeakPolarHBondContact OD1-CA 3.47Å; D31-H33 WeakPolarHBondContact OD1-CB 3.25Å; D31-H33 PolarHBondContact OD1-N 3.25Å; D31-G34 PolarHBondContact O-N 2.9Å; D31-G34 PolarHBondContact OD1-N 3.21Å; D31-F35 PolarHBondContact N-O 3.36Å; D31-F35 PolarHBondContact OD1-N 2.93Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.28Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.41Å; D31-W40 PolarHBondContact OD2-NE1 3.3Å
32D87.9Confident89.9Confident133 Ų13333.5 Ų33.571%0.71117%0.169SC*.THydrogen-bonded Turntrans-62.9-12.8179.5-69.2-19000113.5R65D32-R65 PolarHBondContact O-NE 3.1Å; D32-R65 VanDerWaalsContact O-NE 3.11Å; D32-R65 PolarHBondContact O-NH1 3.33Å; D32-R65 PolarHBondContact O-NH2 3.34Å
33H87.2Confident90.4Very high120 Ų12034.1 Ų34.156%0.55617%0.167SC*.THydrogen-bonded Turntrans-104.85.7174.1-59.6-64.4000112.9D31 F35 R65D31-H33 PolarHBondContact O-N 3.46Å; D31-H33 VanDerWaalsContact OD1-CA 3.31Å; D31-H33 WeakPolarHBondContact OD1-CA 3.47Å; D31-H33 WeakPolarHBondContact OD1-CB 3.25Å; D31-H33 PolarHBondContact OD1-N 3.25Å; H33-F35 VanDerWaalsContact C-N 3.31Å; H33-F35 HydrophobicContact CB-CD2 3.72Å; H33-F35 HydrophobicContact CB-CE2 3.99Å; H33-R65 WeakPolarHBondContact O-CB 3.33Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.41Å; H33-R65 PolarHBondContact O-N 3.22Å
34G87.2Confident91.1Very high3 Ų334.6 Ų34.63%0.03117%0.166CC..SBendtrans79.97.4-178.500000114.1D31 S36 N64D31-G34 PolarHBondContact O-N 2.9Å; D31-G34 PolarHBondContact OD1-N 3.21Å; G34-S36 PolarHBondContact O-N 3.02Å; G34-N64 WeakPolarHBondContact O-CA 3.41Å
35F92.7Very high91.8Very high38 Ų3829.5 Ų29.517%0.16715%0.148CC..  trans-77.3113.7177.5-73.5-113.5000109.7F5 G30 D31 H33 H39 W40 N64 L73F5-F35 WeakPolarHBondContact CE1-O 3.33Å; G30-F35 CarbonylContact C-O 3.44Å; G30-F35 WeakPolarHBondContact CA-O 3.41Å; D31-F35 PolarHBondContact N-O 3.36Å; D31-F35 PolarHBondContact OD1-N 2.93Å; H33-F35 VanDerWaalsContact C-N 3.31Å; H33-F35 HydrophobicContact CB-CD2 3.72Å; H33-F35 HydrophobicContact CB-CE2 3.99Å; F35-H39 HydrophobicContact CB-CB 4.08Å; F35-H39 HydrophobicContact CD1-CB 3.72Å; F35-H39 HydrophobicContact CG-CB 4.3Å; F35-W40 HydrophobicContact CB-CZ2 4.17Å; F35-W40 VanDerWaalsContact CB-NE1 3.31Å; F35-W40 HydrophobicContact CD1-CZ2 4.33Å; F35-W40 HydrophobicContact CG-CZ2 4.19Å; F35-N64 HydrophobicContact CD2-CB 3.86Å; F35-N64 WeakPolarHBondContact CE1-ND2 3.44Å; F35-N64 HydrophobicContact CE2-CB 4Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.33Å; F35-N64 HydrophobicContact CG-CB 4.22Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.29Å; F35-L73 HydrophobicContact CD1-CD1 3.85Å; F35-L73 HydrophobicContact CE1-CD1 3.58Å; F35-L73 HydrophobicContact CE1-CD2 4.21Å
36S92.6Very high92.3Very high1 Ų132.3 Ų32.31%0.00716%0.156CC..  trans-68.9163.3170.473.80000112.2G34 L38 H39 W40 V62G34-S36 PolarHBondContact O-N 3.02Å; S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 VanDerWaalsContact O-N 3.14Å; S36-L38 PolarHBondContact OG-N 3.21Å; S36-H39 PolarHBondContact N-ND1 3.15Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.92Å; S36-H39 PolarHBondContact OG-N 3.31Å; S36-H39 PolarHBondContact OG-ND1 3.47Å; S36-W40 PolarHBondContact O-N 2.99Å; S36-V62 WeakPolarHBondContact OG-CG1 3.45Å
37P94.8Very high92.9Very high0 Ų033 Ų330%016%0.162CC..Hα-helixtrans-47.8-38.2169.2-31.337.6000113.7I4 F5 L27 Q29 W40 A41 L53I4-P37 HydrophobicContact CG1-CG 4.26Å; F5-P37 HydrophobicContact CD1-CG 4.47Å; F5-P37 HydrophobicContact CE1-CG 4.23Å; L27-P37 VanDerWaalsContact O-CD 3.29Å; L27-P37 WeakPolarHBondContact O-CD 3.27Å; Q29-P37 WeakPolarHBondContact O-CD 3.41Å; P37-W40 PolarHBondContact O-N 2.77Å; P37-A41 WeakPolarHBondContact O-CB 3.34Å; P37-A41 PolarHBondContact O-N 2.92Å; P37-L53 HydrophobicContact CB-CD1 3.93Å; P37-L53 HydrophobicContact CB-CD2 3.98Å
38L96Very high93.3Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-66.8-39.8178.8-176.562.4000111.8S36 W40 A41 C42 V50 L53 I54 A58 I60 P70S36-L38 PolarHBondContact O-N 2.84Å; S36-L38 VanDerWaalsContact O-N 3.14Å; S36-L38 PolarHBondContact OG-N 3.21Å; L38-W40 VanDerWaalsContact C-N 3.35Å; L38-W40 PolarHBondContact O-N 3.16Å; L38-A41 PolarHBondContact O-N 3.37Å; L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.12Å; L38-C42 PolarHBondContact O-SG 2.87Å; L38-V50 HydrophobicContact CD1-CB 4.47Å; L38-V50 HydrophobicContact CD1-CG1 4.04Å; L38-V50 HydrophobicContact CD1-CG2 4.42Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.23Å; L38-L53 HydrophobicContact CD1-CD1 4.43Å; L38-I54 HydrophobicContact CD1-CG1 4.14Å; L38-A58 HydrophobicContact CB-CB 4.11Å; L38-A58 HydrophobicContact CD2-CB 3.78Å; L38-A58 HydrophobicContact CG-CB 4.37Å; L38-I60 HydrophobicContact CD2-CD1 4.42Å; L38-P70 HydrophobicContact CB-CG 4.38Å; L38-P70 HydrophobicContact CD2-CB 4.16Å; L38-P70 HydrophobicContact CD2-CG 3.78Å; L38-P70 HydrophobicContact CG-CB 3.97Å; L38-P70 HydrophobicContact CG-CG 3.84Å
39H96.8Very high93.9Very high0 Ų035.9 Ų35.90%019%0.186CC..Hα-helixtrans-58-48.6174.9-71.9100.3000111.6F35 S36 C42 R43 V62 D68 L73F35-H39 HydrophobicContact CB-CB 4.08Å; F35-H39 HydrophobicContact CD1-CB 3.72Å; F35-H39 HydrophobicContact CG-CB 4.3Å; S36-H39 PolarHBondContact N-ND1 3.15Å; S36-H39 WeakPolarHBondContact O-CB 3.23Å; S36-H39 PolarHBondContact O-N 2.92Å; S36-H39 PolarHBondContact OG-N 3.31Å; S36-H39 PolarHBondContact OG-ND1 3.47Å; H39-C42 PolarHBondContact O-N 3.06Å; H39-R43 WeakPolarHBondContact O-CB 3.48Å; H39-R43 PolarHBondContact O-N 2.94Å; H39-V62 PolarHBondContact NE2-O 2.97Å; H39-D68 PolarHBondContact NE2-O 3.21Å; H39-L73 HydrophobicContact CB-CD1 3.62Å
40W97.5Very high94.5Very high35 Ų3533.9 Ų33.913%0.13318%0.177CC..Hα-helixtrans-65.2-44.3-179.3-74.7115000112.3F5 C8 R9 D31 F35 S36 P37 L38 C42 R43 E44F5-W40 AromaticContact CD1-CD1 3.63Å; F5-W40 AromaticContact CD1-NE1 3.96Å; C8-W40 HydrophobicContact CB-CB 4.32Å; R9-W40 HydrophobicContact CG-CB 3.87Å; R9-W40 HydrophobicContact CG-CD2 3.92Å; R9-W40 HydrophobicContact CG-CE3 3.65Å; R9-W40 HydrophobicContact CG-CG 4.05Å; R9-W40 HydrophobicContact CG-CZ3 4.49Å; D31-W40 VanDerWaalsContact OD2-CZ2 3.28Å; D31-W40 WeakPolarHBondContact OD2-CZ2 3.41Å; D31-W40 PolarHBondContact OD2-NE1 3.3Å; F35-W40 HydrophobicContact CB-CZ2 4.17Å; F35-W40 VanDerWaalsContact CB-NE1 3.31Å; F35-W40 HydrophobicContact CD1-CZ2 4.33Å; F35-W40 HydrophobicContact CG-CZ2 4.19Å; S36-W40 PolarHBondContact O-N 2.99Å; P37-W40 PolarHBondContact O-N 2.77Å; L38-W40 VanDerWaalsContact C-N 3.35Å; L38-W40 PolarHBondContact O-N 3.16Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3.42Å; W40-R43 PolarHBondContact O-N 3.05Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 2.86Å
41A97.8Very high94.9Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-62.3-39.917600000112.3P37 L38 G45 R46 V49 V50 L53P37-A41 WeakPolarHBondContact O-CB 3.34Å; P37-A41 PolarHBondContact O-N 2.92Å; L38-A41 PolarHBondContact O-N 3.37Å; A41-G45 PolarHBondContact O-N 3.28Å; A41-R46 HydrophobicContact CB-CB 4.37Å; A41-R46 PolarHBondContact O-N 3.02Å; A41-V49 HydrophobicContact CB-CB 4.15Å; A41-V49 HydrophobicContact CB-CG1 3.7Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; A41-L53 HydrophobicContact CB-CD1 3.99Å
42C98.2Very high95.1Very high0 Ų037.9 Ų37.90%019%0.193CC..Hα-helixtrans-69.2-39.5176.5-74.40000112.7L38 H39 W40 P70 A74 H79 I82L38-C42 VanDerWaalsContact O-CB 3.26Å; L38-C42 WeakPolarHBondContact O-CB 3.49Å; L38-C42 PolarHBondContact O-N 3.12Å; L38-C42 PolarHBondContact O-SG 2.87Å; H39-C42 PolarHBondContact O-N 3.06Å; W40-C42 VanDerWaalsContact C-N 3.33Å; W40-C42 PolarHBondContact O-N 3.42Å; C42-P70 HydrophobicContact CB-CB 4.16Å; C42-A74 HydrophobicContact CB-CB 4.21Å; C42-H79 PolarHBondContact O-CD2 2.96Å; C42-I82 HydrophobicContact CB-CG2 4.18Å
43R97.7Very high95.4Very high80 Ų8031.5 Ų31.530%0.30216%0.159SC..Hα-helixtrans-63.5-44.3176.8-174.3-176-178.5-101-0.3112H39 W40 L73 H79H39-R43 WeakPolarHBondContact O-CB 3.48Å; H39-R43 PolarHBondContact O-N 2.94Å; W40-R43 PolarHBondContact O-N 3.05Å; R43-L73 HydrophobicContact CB-CB 4.17Å; R43-L73 HydrophobicContact CB-CD1 4.31Å; R43-H79 PolarHBondContact O-CD2 3.41Å; R43-H79 PolarHBondContact O-NE2 3.07Å
44E97.9Very high95.6Very high53 Ų5326.3 Ų26.325%0.24814%0.135CC..THydrogen-bonded Turntrans-89.24.8-174.5-58.1-60.6155.900113.8R9 W40 R46R9-E44 HydrophobicContact CB-CG 3.92Å; R9-E44 HydrophobicContact CG-CG 3.92Å; R9-E44 IonicContact NE-OE1 3.06Å; W40-E44 WeakPolarHBondContact O-CG 3.4Å; W40-E44 PolarHBondContact O-N 2.86Å; E44-R46 HydrophobicContact CB-CG 4.02Å; E44-R46 PolarHBondContact O-N 2.78Å
45G97.5Very high95.6Very high21 Ų2131.6 Ų31.622%0.21616%0.16CC..THydrogen-bonded Turntrans7328.3175.300000114.2A41 S47 H79A41-G45 PolarHBondContact O-N 3.28Å; G45-S47 PolarHBondContact O-N 3.09Å; G45-S47 VanDerWaalsContact O-N 3.13Å; G45-H79 VanDerWaalsContact CA-CE1 3.43Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.23Å; G45-H79 PolarHBondContact N-CD2 3.47Å; G45-H79 PolarHBondContact N-NE2 2.8Å; G45-H79 VanDerWaalsContact N-NE2 3.19Å
46R98Very high95.2Very high96 Ų9633.6 Ų33.636%0.36217%0.167SC..  trans-89.669.4-174.7-53.6-49.8-172.5-177.8-0.4111.6C8 R9 A41 E44 A48 V49 V50C8-R46 WeakPolarHBondContact O-CG 3.38Å; R9-R46 VanDerWaalsContact O-CZ 3.32Å; R9-R46 PolarHBondContact O-NE 2.93Å; R9-R46 PolarHBondContact O-NH2 3.33Å; A41-R46 HydrophobicContact CB-CB 4.37Å; A41-R46 PolarHBondContact O-N 3.02Å; E44-R46 HydrophobicContact CB-CG 4.02Å; E44-R46 PolarHBondContact O-N 2.78Å; R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 2.77Å; R46-A48 VanDerWaalsContact O-N 3.13Å; R46-V49 HydrophobicContact CB-CB 3.95Å; R46-V49 HydrophobicContact CB-CG2 4.18Å; R46-V49 WeakPolarHBondContact O-CA 3.35Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 PolarHBondContact O-N 2.91Å; R46-V50 PolarHBondContact O-N 3.19Å
47S96.8Very high94.6Very high28 Ų2834.2 Ų34.220%0.19617%0.174CC..Hα-helixtrans-55.2-36.3-170.2-44.40000114.9G45 E51 D81G45-S47 PolarHBondContact O-N 3.09Å; G45-S47 VanDerWaalsContact O-N 3.13Å; S47-E51 WeakPolarHBondContact O-CB 3.37Å; S47-E51 PolarHBondContact O-N 3.24Å; S47-D81 WeakPolarHBondContact CB-OD2 3.38Å; S47-D81 PolarHBondContact OG-OD2 3.2Å
48A96.6Very high94.2Very high66 Ų6634.6 Ų34.655%0.54518%0.176SC..Hα-helixtrans-70-36.617600000112.6R46 M52R46-A48 VanDerWaalsContact C-N 3.28Å; R46-A48 PolarHBondContact O-N 2.77Å; R46-A48 VanDerWaalsContact O-N 3.13Å; A48-M52 WeakPolarHBondContact O-CB 3.39Å; A48-M52 PolarHBondContact O-N 3.19Å
49V97.4Very high93.8Very high2 Ų236.5 Ų36.51%0.01218%0.184CC..Hα-helixtrans-71.8-41.6174.9175.90000110.3C8 A13 V16 A41 R46 E51 M52 L53C8-V49 HydrophobicContact CB-CG1 4.39Å; A13-V49 HydrophobicContact CB-CG2 4.4Å; V16-V49 HydrophobicContact CG1-CG1 4.23Å; V16-V49 HydrophobicContact CG2-CG1 4.14Å; A41-V49 HydrophobicContact CB-CB 4.15Å; A41-V49 HydrophobicContact CB-CG1 3.7Å; R46-V49 HydrophobicContact CB-CB 3.95Å; R46-V49 HydrophobicContact CB-CG2 4.18Å; R46-V49 WeakPolarHBondContact O-CA 3.35Å; R46-V49 WeakPolarHBondContact O-CB 3.48Å; R46-V49 PolarHBondContact O-N 2.91Å; V49-E51 PolarHBondContact O-N 3.45Å; V49-M52 PolarHBondContact O-N 3.3Å; V49-L53 HydrophobicContact CG1-CD1 3.8Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.31Å
50V97.3Very high93.4Very high0 Ų037.6 Ų37.60%019%0.189CC..Hα-helixtrans-56.1-52.1173.7169.50000110.7L38 A41 R46 M52 L53 I54 I82L38-V50 HydrophobicContact CD1-CB 4.47Å; L38-V50 HydrophobicContact CD1-CG1 4.04Å; L38-V50 HydrophobicContact CD1-CG2 4.42Å; A41-V50 HydrophobicContact CB-CG2 3.68Å; R46-V50 PolarHBondContact O-N 3.19Å; V50-M52 VanDerWaalsContact C-N 3.33Å; V50-M52 PolarHBondContact O-N 3Å; V50-L53 PolarHBondContact O-N 2.61Å; V50-I54 HydrophobicContact CG1-CD1 3.64Å; V50-I54 HydrophobicContact CG1-CG1 4.29Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.35Å; V50-I82 HydrophobicContact CG1-CG2 4.21Å; V50-I82 HydrophobicContact CG2-CD1 3.96Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.25Å
51E94.6Very high92.9Very high92 Ų9238.1 Ų38.143%0.4320%0.195SC..Hα-helixtrans-60.6-43.1179.6-175.2171.417200111.8S47 V49 L53 I54 M55 K85S47-E51 WeakPolarHBondContact O-CB 3.37Å; S47-E51 PolarHBondContact O-N 3.24Å; V49-E51 PolarHBondContact O-N 3.45Å; E51-L53 PolarHBondContact O-N 3.19Å; E51-I54 PolarHBondContact O-N 3.32Å; E51-M55 HydrophobicContact CG-CG 4.38Å; E51-M55 VanDerWaalsContact O-CB 3.28Å; E51-M55 WeakPolarHBondContact O-CB 3.07Å; E51-M55 WeakPolarHBondContact O-CG 3.45Å; E51-M55 PolarHBondContact O-N 2.9Å; E51-K85 IonicContact OE2-NZ 2.86Å; E51-K85 PolarHBondContact OE2-NZ 3.49Å
52M94.5Very high92.3Very high27 Ų2738.5 Ų38.513%0.13320%0.197CC..Hα-helixtrans-60.3-47175.1-172.6-176.5-53.200112A13 V16 R17 L20 A48 V49 V50 M55 R56A13-M52 HydrophobicContact CB-CE 3.9Å; A13-M52 WeakPolarHBondContact O-CE 3.41Å; V16-M52 HydrophobicContact CG1-SD 4.24Å; R17-M52 HydrophobicContact CB-CE 4.25Å; R17-M52 HydrophobicContact CB-SD 3.79Å; R17-M52 HydrophobicContact CG-SD 4.39Å; L20-M52 HydrophobicContact CD1-CG 4.21Å; L20-M52 HydrophobicContact CD1-SD 4.16Å; A48-M52 WeakPolarHBondContact O-CB 3.39Å; A48-M52 PolarHBondContact O-N 3.19Å; V49-M52 PolarHBondContact O-N 3.3Å; V50-M52 VanDerWaalsContact C-N 3.33Å; V50-M52 PolarHBondContact O-N 3Å; M52-M55 PolarHBondContact O-N 2.94Å; M52-R56 HydrophobicContact CG-CG 4.3Å; M52-R56 VanDerWaalsContact O-CB 3.23Å; M52-R56 WeakPolarHBondContact O-CB 3.26Å; M52-R56 WeakPolarHBondContact O-CG 3.47Å; M52-R56 PolarHBondContact O-N 2.92Å
53L94Very high91.8Very high0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-63-44.6179.7-73.2170.9000111.4V16 L20 P37 L38 A41 V49 V50 E51 R56 G57 A58V16-L53 HydrophobicContact CG1-CD2 4.28Å; L20-L53 HydrophobicContact CD1-CD2 4.05Å; L20-L53 HydrophobicContact CD2-CD2 4.23Å; P37-L53 HydrophobicContact CB-CD1 3.93Å; P37-L53 HydrophobicContact CB-CD2 3.98Å; L38-L53 HydrophobicContact CB-CD1 4.32Å; L38-L53 HydrophobicContact CD1-CB 4.23Å; L38-L53 HydrophobicContact CD1-CD1 4.43Å; A41-L53 HydrophobicContact CB-CD1 3.99Å; V49-L53 HydrophobicContact CG1-CD1 3.8Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CB 3.23Å; V49-L53 VanDerWaalsContact O-CG 3.26Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.31Å; V50-L53 PolarHBondContact O-N 2.61Å; E51-L53 PolarHBondContact O-N 3.19Å; L53-R56 CarbonylContact O-C 3.31Å; L53-R56 PolarHBondContact O-N 2.98Å; L53-G57 PolarHBondContact O-N 3.23Å; L53-A58 HydrophobicContact CB-CB 4Å; L53-A58 VanDerWaalsContact O-CB 3.25Å; L53-A58 WeakPolarHBondContact O-CB 3.38Å; L53-A58 PolarHBondContact O-N 3.28Å
54I91Very high91.4Very high11 Ų1135.8 Ų35.86%0.05619%0.188CC..Hα-helixtrans-61.1-49.3176.1-69176.2000110.7L38 V50 E51 R56 G57 I60 L86 Y89L38-I54 HydrophobicContact CD1-CG1 4.14Å; V50-I54 HydrophobicContact CG1-CD1 3.64Å; V50-I54 HydrophobicContact CG1-CG1 4.29Å; V50-I54 WeakPolarHBondContact O-CB 3.41Å; V50-I54 VanDerWaalsContact O-CG1 3.27Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.35Å; E51-I54 PolarHBondContact O-N 3.32Å; I54-R56 PolarHBondContact O-N 3.21Å; I54-G57 WeakPolarHBondContact O-CA 3.25Å; I54-G57 PolarHBondContact O-N 3Å; I54-I60 HydrophobicContact CB-CD1 4.3Å; I54-I60 HydrophobicContact CD1-CD1 4.03Å; I54-I60 HydrophobicContact CG1-CD1 3.63Å; I54-I60 HydrophobicContact CG2-CD1 4Å; I54-L86 HydrophobicContact CD1-CD2 3.97Å; I54-Y89 HydrophobicContact CD1-CD2 4.24Å; I54-Y89 HydrophobicContact CG2-CD1 3.58Å; I54-Y89 HydrophobicContact CG2-CD2 3.64Å; I54-Y89 HydrophobicContact CG2-CE1 3.67Å; I54-Y89 HydrophobicContact CG2-CE2 3.76Å; I54-Y89 HydrophobicContact CG2-CG 3.56Å
55M87.3Confident90.9Very high113 Ų11340.9 Ų40.956%0.55721%0.205SC*.Hα-helixtrans-63.9-28.8178.5-71.6-61.1-66.400112.6E51 M52 G57 Y89E51-M55 HydrophobicContact CG-CG 4.38Å; E51-M55 VanDerWaalsContact O-CB 3.28Å; E51-M55 WeakPolarHBondContact O-CB 3.07Å; E51-M55 WeakPolarHBondContact O-CG 3.45Å; E51-M55 PolarHBondContact O-N 2.9Å; M52-M55 PolarHBondContact O-N 2.94Å; M55-G57 VanDerWaalsContact C-N 3.28Å; M55-Y89 PolarHBondContact SD-OH 2.9Å; M55-Y89 VanDerWaalsContact SD-OH 3.36Å
56R85Confident90.4Very high80 Ų8040.4 Ų40.430%0.30220%0.2SC..THydrogen-bonded Turntrans-84.91.3173.2-66.1-77.8-169.3106.3-3.6112.7L20 D21 L27 M52 L53 I54 P248L20-R56 HydrophobicContact CD1-CB 4.23Å; L20-R56 HydrophobicContact CD1-CG 3.96Å; D21-R56 IonicContact OD1-CZ 2.86Å; D21-R56 VanDerWaalsContact OD1-CZ 3.3Å; D21-R56 IonicContact OD1-NH1 3.76Å; D21-R56 PolarHBondContact OD1-NH1 3.27Å; D21-R56 IonicContact OD1-NH2 3.48Å; D21-R56 PolarHBondContact OD1-NH2 3.46Å; L27-R56 HydrophobicContact CD2-CB 4.29Å; L27-R56 WeakPolarHBondContact CD2-O 3.04Å; M52-R56 HydrophobicContact CG-CG 4.3Å; M52-R56 VanDerWaalsContact O-CB 3.23Å; M52-R56 WeakPolarHBondContact O-CB 3.26Å; M52-R56 WeakPolarHBondContact O-CG 3.47Å; M52-R56 PolarHBondContact O-N 2.92Å; L53-R56 CarbonylContact O-C 3.31Å; L53-R56 PolarHBondContact O-N 2.98Å; I54-R56 PolarHBondContact O-N 3.21Å; R56-P248 VanDerWaalsContact O-CD 3.23Å; R56-P248 WeakPolarHBondContact O-CD 3.47Å
57G79.9Confident90Very high15 Ų1535.9 Ų35.916%0.15518%0.183CC..THydrogen-bonded Turntrans97.724.3170.800000117.2L53 I54 M55 R59 P248L53-G57 PolarHBondContact O-N 3.23Å; I54-G57 WeakPolarHBondContact O-CA 3.25Å; I54-G57 PolarHBondContact O-N 3Å; M55-G57 VanDerWaalsContact C-N 3.28Å; G57-R59 PolarHBondContact O-N 2.85Å; G57-P248 VanDerWaalsContact CA-CG 3.42Å
58A87.2Confident89.9Confident7 Ų735.4 Ų35.46%0.05818%0.179CC..  trans-56.9130.5172.400000111L27 L38 L53 I60L27-A58 HydrophobicContact CD1-CB 3.72Å; L38-A58 HydrophobicContact CB-CB 4.11Å; L38-A58 HydrophobicContact CD2-CB 3.78Å; L38-A58 HydrophobicContact CG-CB 4.37Å; L53-A58 HydrophobicContact CB-CB 4Å; L53-A58 VanDerWaalsContact O-CB 3.25Å; L53-A58 WeakPolarHBondContact O-CB 3.38Å; L53-A58 PolarHBondContact O-N 3.28Å; A58-I60 WeakPolarHBondContact O-CD1 3.46Å; A58-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact O-N 3.11Å
59R85.7Confident89.8Confident40 Ų4032.3 Ų32.315%0.15115%0.153CC..  trans-61.6113.5172.8-73.8179.9179.2-171.4-1.6108.3N28 G57 N61 V62N28-R59 WeakPolarHBondContact OD1-CB 3.32Å; N28-R59 WeakPolarHBondContact OD1-CG 3.38Å; N28-R59 PolarHBondContact OD1-N 3.26Å; G57-R59 PolarHBondContact O-N 2.85Å; R59-N61 VanDerWaalsContact C-N 3.31Å; R59-N61 PolarHBondContact O-N 3.11Å; R59-V62 HydrophobicContact CB-CB 4.02Å; R59-V62 WeakPolarHBondContact O-CG1 3.35Å; R59-V62 PolarHBondContact O-N 2.9Å
60I88.6Confident89.7Confident24 Ų2432.2 Ų32.212%0.12315%0.152CC..THydrogen-bonded Turntrans-66.1-37.1-174.1-54.8-58.9000111.5L38 I54 A58 P70 L86 A91L38-I60 HydrophobicContact CD2-CD1 4.42Å; I54-I60 HydrophobicContact CB-CD1 4.3Å; I54-I60 HydrophobicContact CD1-CD1 4.03Å; I54-I60 HydrophobicContact CG1-CD1 3.63Å; I54-I60 HydrophobicContact CG2-CD1 4Å; A58-I60 WeakPolarHBondContact O-CD1 3.46Å; A58-I60 PolarHBondContact O-N 3.06Å; A58-I60 VanDerWaalsContact O-N 3.11Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; I60-L86 HydrophobicContact CG2-CD2 4.1Å; I60-A91 HydrophobicContact CG2-CB 3.5Å
61N87Confident89.8Confident45 Ų4532.3 Ų32.324%0.24115%0.152CC..THydrogen-bonded Turntrans-100.120.5-176.8-61.5-39.5000113.2R59 A91 D92R59-N61 VanDerWaalsContact C-N 3.31Å; R59-N61 PolarHBondContact O-N 3.11Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; N61-D92 PolarHBondContact OD1-N 3.45Å
62V85.6Confident89.9Confident8 Ų827.9 Ų27.95%0.04813%0.132CC..  trans-57.7140.9174.361.90000110.1S36 H39 R59 T69 P70S36-V62 WeakPolarHBondContact OG-CG1 3.45Å; H39-V62 PolarHBondContact NE2-O 2.97Å; R59-V62 HydrophobicContact CB-CB 4.02Å; R59-V62 WeakPolarHBondContact O-CG1 3.35Å; R59-V62 PolarHBondContact O-N 2.9Å; V62-T69 WeakPolarHBondContact O-CA 3.36Å; V62-P70 HydrophobicContact CG1-CG 3.82Å; V62-P70 WeakPolarHBondContact O-CD 3.31Å
63M87.8Confident90.1Very high19 Ų1927.1 Ų27.19%0.09413%0.128CC..  trans-113.3136.9-178.4-77.3178.2179.600110.3D67 D68 T69M63-D67 HydrophobicContact SD-CB 4.07Å; M63-D68 WeakPolarHBondContact CA-O 3.3Å; M63-T69 HydrophobicContact CE-CG2 4.17Å; M63-T69 HydrophobicContact CG-CG2 3.98Å
64N89.6Confident90.3Very high4 Ų427.1 Ų27.12%0.02113%0.128CC..  trans-79.6-173.5168.272.411.4000111.3G34 F35 G66 D67 D68G34-N64 WeakPolarHBondContact O-CA 3.41Å; F35-N64 HydrophobicContact CD2-CB 3.86Å; F35-N64 WeakPolarHBondContact CE1-ND2 3.44Å; F35-N64 HydrophobicContact CE2-CB 4Å; F35-N64 WeakPolarHBondContact CE2-ND2 3.33Å; F35-N64 HydrophobicContact CG-CB 4.22Å; F35-N64 HydrophobicContact CZ-CB 4.48Å; F35-N64 WeakPolarHBondContact CZ-ND2 3.29Å; N64-G66 PolarHBondContact O-N 2.98Å; N64-G66 WeakPolarHBondContact OD1-CA 3.34Å; N64-G66 PolarHBondContact OD1-N 3.29Å; N64-D67 WeakPolarHBondContact O-CA 3.43Å; N64-D67 PolarHBondContact O-N 2.83Å; N64-D67 PolarHBondContact OD1-N 3.04Å; N64-D68 PolarHBondContact N-O 3.06Å; N64-D68 PolarHBondContact OD1-N 2.86Å
65R86.9Confident90.6Very high161 Ų16126.6 Ų26.661%0.60813%0.125SC*.THydrogen-bonded Turntrans-62.1-23.8179.4-76.7-175.6-177.5-174.42.6115D32 H33 D67D32-R65 PolarHBondContact O-NE 3.1Å; D32-R65 VanDerWaalsContact O-NE 3.11Å; D32-R65 PolarHBondContact O-NH1 3.33Å; D32-R65 PolarHBondContact O-NH2 3.34Å; H33-R65 WeakPolarHBondContact O-CB 3.33Å; H33-R65 VanDerWaalsContact O-CG 3.3Å; H33-R65 WeakPolarHBondContact O-CG 3.41Å; H33-R65 PolarHBondContact O-N 3.22Å; R65-D67 VanDerWaalsContact C-N 3.26Å
66G88.5Confident91.1Very high11 Ų1121.6 Ų21.611%0.11310%0.102CC..THydrogen-bonded Turntrans-89.812.2173.900000113.7N64 D68 N97 E98N64-G66 PolarHBondContact O-N 2.98Å; N64-G66 WeakPolarHBondContact OD1-CA 3.34Å; N64-G66 PolarHBondContact OD1-N 3.29Å; G66-D68 PolarHBondContact O-N 2.97Å; G66-D68 VanDerWaalsContact O-N 3.15Å; G66-N97 WeakPolarHBondContact O-CB 3.47Å; G66-E98 WeakPolarHBondContact CA-OE1 3.28Å; G66-E98 WeakPolarHBondContact O-CB 3.39Å; G66-E98 WeakPolarHBondContact O-CG 3.32Å; G66-E98 PolarHBondContact O-N 3.32Å
67D89.3Confident91.7Very high0 Ų021.3 Ų21.30%010%0.104CC..  trans57.519.2-173-55.9-42.5000113.5M63 N64 R65 N97 E98 R178M63-D67 HydrophobicContact SD-CB 4.07Å; N64-D67 WeakPolarHBondContact O-CA 3.43Å; N64-D67 PolarHBondContact O-N 2.83Å; N64-D67 PolarHBondContact OD1-N 3.04Å; R65-D67 VanDerWaalsContact C-N 3.26Å; D67-N97 HydrophobicContact CB-CB 4.46Å; D67-N97 WeakPolarHBondContact O-CA 3.43Å; D67-N97 WeakPolarHBondContact O-CB 3.36Å; D67-E98 HydrophobicContact CB-CB 4.47Å; D67-R178 IonicContact OD1-CZ 3.46Å; D67-R178 IonicContact OD1-NE 3.73Å; D67-R178 PolarHBondContact OD1-NE 2.82Å; D67-R178 IonicContact OD1-NH2 2.84Å; D67-R178 IonicContact OD2-CZ 3.13Å; D67-R178 IonicContact OD2-NE 3.76Å; D67-R178 IonicContact OD2-NH2 3.83Å; D67-R178 PolarHBondContact OD2-NH2 2.77Å
68D93.8Very high92.5Very high19 Ų1921.6 Ų21.610%0.10211%0.107CC..  trans-76.1139.8173.1-78.1-37.9000110.1H39 M63 N64 G66 H72 N97 Y106H39-D68 PolarHBondContact NE2-O 3.21Å; M63-D68 WeakPolarHBondContact CA-O 3.3Å; N64-D68 PolarHBondContact N-O 3.06Å; N64-D68 PolarHBondContact OD1-N 2.86Å; G66-D68 PolarHBondContact O-N 2.97Å; G66-D68 VanDerWaalsContact O-N 3.15Å; D68-H72 HydrophobicContact CB-CB 4.13Å; D68-H72 IonicContact OD1-CD2 2.72Å; D68-H72 IonicContact OD1-CG 2.68Å; D68-N97 WeakPolarHBondContact OD1-CB 3.49Å; D68-N97 PolarHBondContact OD1-ND2 3.12Å; D68-Y106 PolarHBondContact OD1-OH 2.9Å; D68-Y106 PolarHBondContact OD2-OH 3.03Å
69T94.4Very high93.1Very high1 Ų123.4 Ų23.41%0.00611%0.114CC..  trans-97.4164.8174.968.60000111.5V62 M63 L71 H72 L73 A95V62-T69 WeakPolarHBondContact O-CA 3.36Å; M63-T69 HydrophobicContact CE-CG2 4.17Å; M63-T69 HydrophobicContact CG-CG2 3.98Å; T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.33Å; T69-H72 PolarHBondContact N-ND1 3.34Å; T69-H72 VanDerWaalsContact N-ND1 3.17Å; T69-H72 WeakPolarHBondContact O-CB 3.19Å; T69-H72 PolarHBondContact O-N 2.71Å; T69-H72 PolarHBondContact OG1-N 3.41Å; T69-H72 PolarHBondContact OG1-ND1 3.46Å; T69-L73 PolarHBondContact O-N 3.49Å; T69-A95 HydrophobicContact CG2-CB 3.89Å
70P96.3Very high93.6Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-52.1-32.7171.2-28.434.1000113.5L38 C42 I60 V62 L73 A74 L86L38-P70 HydrophobicContact CB-CG 4.38Å; L38-P70 HydrophobicContact CD2-CB 4.16Å; L38-P70 HydrophobicContact CD2-CG 3.78Å; L38-P70 HydrophobicContact CG-CB 3.97Å; L38-P70 HydrophobicContact CG-CG 3.84Å; C42-P70 HydrophobicContact CB-CB 4.16Å; I60-P70 WeakPolarHBondContact O-CD 3.31Å; V62-P70 HydrophobicContact CG1-CG 3.82Å; V62-P70 WeakPolarHBondContact O-CD 3.31Å; P70-L73 PolarHBondContact O-N 3.18Å; P70-A74 WeakPolarHBondContact O-CB 3.46Å; P70-A74 PolarHBondContact O-N 2.9Å; P70-L86 HydrophobicContact CB-CD1 4.33Å; P70-L86 HydrophobicContact CB-CD2 4.46Å
71L97.7Very high94Very high1 Ų128 Ų281%0.00514%0.135CC..Hα-helixtrans-67.4-37.3176.3-175.259.8000112.6T69 L73 A75 V83 L86 L87 A91 P103 L119T69-L71 PolarHBondContact O-N 2.99Å; T69-L71 VanDerWaalsContact O-N 3.09Å; T69-L71 PolarHBondContact OG1-N 3.33Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L71-A75 WeakPolarHBondContact O-CB 3.47Å; L71-A75 PolarHBondContact O-N 3.14Å; L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4.01Å; L71-V83 HydrophobicContact CD1-CG2 4.18Å; L71-L86 HydrophobicContact CB-CD1 4.14Å; L71-L86 HydrophobicContact CD1-CB 4.22Å; L71-L86 HydrophobicContact CD1-CD1 4.08Å; L71-L87 HydrophobicContact CD2-CD2 4.01Å; L71-A91 HydrophobicContact CB-CB 4.47Å; L71-A91 HydrophobicContact CD2-CB 3.97Å; L71-P103 HydrophobicContact CB-CG 4.24Å; L71-P103 HydrophobicContact CD2-CB 4.26Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.89Å; L71-P103 HydrophobicContact CG-CG 3.8Å; L71-L119 HydrophobicContact CD1-CD2 4.36Å; L71-L119 HydrophobicContact CD2-CD2 4.49Å
72H97.9Very high94.6Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-58.9-46172.5-71.981.6000111D68 T69 A75 S76 A95 N101 P103 Y106D68-H72 HydrophobicContact CB-CB 4.13Å; D68-H72 IonicContact OD1-CD2 2.72Å; D68-H72 IonicContact OD1-CG 2.68Å; T69-H72 PolarHBondContact N-ND1 3.34Å; T69-H72 VanDerWaalsContact N-ND1 3.17Å; T69-H72 WeakPolarHBondContact O-CB 3.19Å; T69-H72 PolarHBondContact O-N 2.71Å; T69-H72 PolarHBondContact OG1-N 3.41Å; T69-H72 PolarHBondContact OG1-ND1 3.46Å; H72-A75 PolarHBondContact O-N 3.25Å; H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 3.32Å; H72-S76 PolarHBondContact O-OG 2.67Å; H72-A95 PolarHBondContact CE1-O 3.32Å; H72-A95 PolarHBondContact NE2-O 3.41Å; H72-N101 PolarHBondContact NE2-O 2.98Å; H72-P103 WeakPolarHBondContact NE2-CD 2.98Å; H72-Y106 AromaticContact CD2-CE2 3.95Å
73L97.9Very high95.2Very high10 Ų1025.5 Ų25.55%0.05212%0.121CC..Hα-helixtrans-68.7-46.8-177.5-58.6-178.4000111.9F35 H39 R43 T69 P70 L71 A75 S76 H77F35-L73 HydrophobicContact CD1-CD1 3.85Å; F35-L73 HydrophobicContact CE1-CD1 3.58Å; F35-L73 HydrophobicContact CE1-CD2 4.21Å; H39-L73 HydrophobicContact CB-CD1 3.62Å; R43-L73 HydrophobicContact CB-CB 4.17Å; R43-L73 HydrophobicContact CB-CD1 4.31Å; T69-L73 PolarHBondContact O-N 3.49Å; P70-L73 PolarHBondContact O-N 3.18Å; L71-L73 VanDerWaalsContact C-N 3.32Å; L71-L73 PolarHBondContact O-N 3.46Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.28Å; L73-S76 PolarHBondContact O-N 3.49Å; L73-S76 PolarHBondContact O-OG 3.26Å; L73-H77 PolarHBondContact O-N 2.86Å; L73-H77 PolarHBondContact O-ND1 3.13Å; L73-H77 VanDerWaalsContact O-ND1 3.1Å
74A98.3Very high95.6Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-59.4-41.9174.700000111.5C42 P70 S76 H77 G78 H79 I82 V83 L86C42-A74 HydrophobicContact CB-CB 4.21Å; P70-A74 WeakPolarHBondContact O-CB 3.46Å; P70-A74 PolarHBondContact O-N 2.9Å; A74-S76 PolarHBondContact O-N 2.98Å; A74-H77 PolarHBondContact O-N 3.23Å; A74-G78 PolarHBondContact O-N 2.86Å; A74-H79 PolarHBondContact O-N 3.46Å; A74-H79 VanDerWaalsContact O-N 3.16Å; A74-I82 HydrophobicContact CB-CB 4.37Å; A74-I82 HydrophobicContact CB-CG2 3.68Å; A74-V83 HydrophobicContact CB-CG2 3.86Å; A74-L86 HydrophobicContact CB-CD1 4.09Å
75A98.3Very high95.9Very high0 Ų031 Ų310%015%0.146CC..Hα-helixtrans-65.3-39.3-179.900000112.9L71 H72 L73 G78 P103 A107 Q112 V115 L119L71-A75 WeakPolarHBondContact O-CB 3.47Å; L71-A75 PolarHBondContact O-N 3.14Å; H72-A75 PolarHBondContact O-N 3.25Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 3.28Å; A75-G78 PolarHBondContact O-N 3.17Å; A75-P103 HydrophobicContact CB-CB 4.11Å; A75-A107 HydrophobicContact CB-CB 4.36Å; A75-Q112 WeakPolarHBondContact O-CG 3.34Å; A75-V115 HydrophobicContact CB-CG1 4.13Å; A75-L119 HydrophobicContact CB-CD1 4.13Å
76S97.7Very high96.3Very high8 Ų823.4 Ų23.46%0.05612%0.117CC..Hα-helixtrans-68.7-32.5179.868.60000114.5H72 L73 A74 W110 Q112H72-S76 WeakPolarHBondContact O-CB 3.48Å; H72-S76 PolarHBondContact O-N 3.32Å; H72-S76 PolarHBondContact O-OG 2.67Å; L73-S76 PolarHBondContact O-N 3.49Å; L73-S76 PolarHBondContact O-OG 3.26Å; A74-S76 PolarHBondContact O-N 2.98Å; S76-W110 WeakPolarHBondContact O-CB 3.36Å; S76-Q112 PolarHBondContact O-NE2 3.31Å
77H97.8Very high96.6Very high74 Ų7423.9 Ų23.934%0.34312%0.117SC..Hα-helixtrans-95.50.3-178.7-67.169.3000112.9L73 A74 H79L73-H77 PolarHBondContact O-N 2.86Å; L73-H77 PolarHBondContact O-ND1 3.13Å; L73-H77 VanDerWaalsContact O-ND1 3.1Å; A74-H77 PolarHBondContact O-N 3.23Å; H77-H79 VanDerWaalsContact CB-NE2 3.34Å; H77-H79 WeakPolarHBondContact CB-NE2 3.44Å
78G97.2Very high96.7Very high22 Ų2230.7 Ų30.723%0.22715%0.149CC..THydrogen-bonded Turntrans77.418.217400000115A74 A75 R80 Q112A74-G78 PolarHBondContact O-N 2.86Å; A75-G78 PolarHBondContact O-N 3.17Å; G78-R80 VanDerWaalsContact C-N 3.26Å; G78-R80 PolarHBondContact O-N 2.92Å; G78-Q112 VanDerWaalsContact CA-OE1 3.3Å
79H98.1Very high96.4Very high45 Ų4534.2 Ų34.221%0.20816%0.161CC..  trans-78.175.8-178.5-59.1-50.7000111.1C42 R43 G45 A74 H77 D81 I82 V83C42-H79 PolarHBondContact O-CD2 2.96Å; R43-H79 PolarHBondContact O-CD2 3.41Å; R43-H79 PolarHBondContact O-NE2 3.07Å; G45-H79 VanDerWaalsContact CA-CE1 3.43Å; G45-H79 WeakPolarHBondContact CA-CE1 3.46Å; G45-H79 WeakPolarHBondContact CA-NE2 3.23Å; G45-H79 PolarHBondContact N-CD2 3.47Å; G45-H79 PolarHBondContact N-NE2 2.8Å; G45-H79 VanDerWaalsContact N-NE2 3.19Å; A74-H79 PolarHBondContact O-N 3.46Å; A74-H79 VanDerWaalsContact O-N 3.16Å; H77-H79 VanDerWaalsContact CB-NE2 3.34Å; H77-H79 WeakPolarHBondContact CB-NE2 3.44Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.48Å; H79-I82 HydrophobicContact CB-CB 4.03Å; H79-I82 HydrophobicContact CB-CD1 3.94Å; H79-I82 HydrophobicContact CB-CG1 4.26Å; H79-I82 PolarHBondContact O-N 3.09Å; H79-I82 VanDerWaalsContact O-N 3.14Å; H79-V83 WeakPolarHBondContact O-CG2 3.37Å; H79-V83 PolarHBondContact O-N 2.96Å
80R97.6Very high95.9Very high93 Ų9342.5 Ų42.535%0.35120%0.198SC..Hα-helixtrans-56-42.4-171.8-172.3-179179.3-176.9-0.6113.8G78 V83 Q84 V115 D118G78-R80 VanDerWaalsContact C-N 3.26Å; G78-R80 PolarHBondContact O-N 2.92Å; R80-V83 PolarHBondContact O-N 3.05Å; R80-Q84 WeakPolarHBondContact O-CG 3.36Å; R80-Q84 PolarHBondContact O-N 3.3Å; R80-V115 HydrophobicContact CB-CG2 3.92Å; R80-V115 HydrophobicContact CG-CG2 4.37Å; R80-D118 WeakPolarHBondContact CG-OD2 3.47Å; R80-D118 IonicContact CZ-OD1 2.61Å; R80-D118 IonicContact CZ-OD2 3.65Å; R80-D118 IonicContact NE-OD1 3.51Å; R80-D118 IonicContact NE-OD2 3.77Å; R80-D118 PolarHBondContact NE-OD2 3.4Å; R80-D118 IonicContact NH2-OD1 3.65Å; R80-D118 PolarHBondContact NH2-OD1 3.1Å; R80-D118 IonicContact NH2-OD2 3.6Å; R80-D118 PolarHBondContact NH2-OD2 2.87Å
81D97.3Very high95.6Very high68 Ų6843 Ų4336%0.36420%0.201SC..Hα-helixtrans-65.4-39.2178.967.5-52000111.9S47 H79 Q84 K85S47-D81 WeakPolarHBondContact CB-OD2 3.38Å; S47-D81 PolarHBondContact OG-OD2 3.2Å; H79-D81 VanDerWaalsContact C-N 3.34Å; H79-D81 PolarHBondContact O-N 3.48Å; D81-Q84 PolarHBondContact O-N 2.84Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 2.86Å
82I98.3Very high95.1Very high0 Ų046.6 Ų46.60%022%0.221CC..Hα-helixtrans-67.4-41.6174.6-67.4175.6000110.7C42 V50 A74 H79 Q84 K85 L86C42-I82 HydrophobicContact CB-CG2 4.18Å; V50-I82 HydrophobicContact CG1-CG2 4.21Å; V50-I82 HydrophobicContact CG2-CD1 3.96Å; V50-I82 HydrophobicContact CG2-CG1 4.32Å; V50-I82 HydrophobicContact CG2-CG2 4.25Å; A74-I82 HydrophobicContact CB-CB 4.37Å; A74-I82 HydrophobicContact CB-CG2 3.68Å; H79-I82 HydrophobicContact CB-CB 4.03Å; H79-I82 HydrophobicContact CB-CD1 3.94Å; H79-I82 HydrophobicContact CB-CG1 4.26Å; H79-I82 PolarHBondContact O-N 3.09Å; H79-I82 VanDerWaalsContact O-N 3.14Å; I82-Q84 PolarHBondContact O-N 2.93Å; I82-K85 PolarHBondContact O-N 3.32Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 HydrophobicContact CG2-CG 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.14Å; I82-L86 PolarHBondContact O-N 3.22Å
83V98.1Very high94.9Very high0 Ų047.5 Ų47.50%023%0.225CC..Hα-helixtrans-57.9-49175.1168.10000110.5L71 A74 H79 R80 K85 L86 L87 V115 L119L71-V83 HydrophobicContact CD1-CB 4.37Å; L71-V83 HydrophobicContact CD1-CG1 4.01Å; L71-V83 HydrophobicContact CD1-CG2 4.18Å; A74-V83 HydrophobicContact CB-CG2 3.86Å; H79-V83 WeakPolarHBondContact O-CG2 3.37Å; H79-V83 PolarHBondContact O-N 2.96Å; R80-V83 PolarHBondContact O-N 3.05Å; V83-K85 PolarHBondContact O-N 2.89Å; V83-L86 PolarHBondContact O-N 3.25Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.1Å; V83-L87 PolarHBondContact O-N 2.97Å; V83-V115 HydrophobicContact CB-CG1 4.49Å; V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 3.87Å; V83-L119 HydrophobicContact CG1-CD2 4.01Å; V83-L119 HydrophobicContact CG1-CG 4.32Å
84Q96.7Very high94.7Very high92 Ų9248.8 Ų48.843%0.4323%0.232SC..Hα-helixtrans-60-43.6177.7-71.2176.1200112.1R80 D81 I82 L87 Q88 D118R80-Q84 WeakPolarHBondContact O-CG 3.36Å; R80-Q84 PolarHBondContact O-N 3.3Å; D81-Q84 PolarHBondContact O-N 2.84Å; I82-Q84 PolarHBondContact O-N 2.93Å; Q84-L87 PolarHBondContact O-N 3.23Å; Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 3.06Å; Q84-D118 PolarHBondContact NE2-OD2 2.74Å
85K95.4Very high94.3Very high47 Ų4748.9 Ų48.920%0.20423%0.233CC..Hα-helixtrans-59.6-50.8174.4-73.9-176.7-172.8-172.80111.4E51 D81 I82 V83 L87 Q88 Y89E51-K85 IonicContact OE2-NZ 2.86Å; E51-K85 PolarHBondContact OE2-NZ 3.49Å; D81-K85 WeakPolarHBondContact O-CG 3.36Å; D81-K85 PolarHBondContact O-N 2.86Å; I82-K85 PolarHBondContact O-N 3.32Å; V83-K85 PolarHBondContact O-N 2.89Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.34Å; K85-Q88 WeakPolarHBondContact O-CB 2.98Å; K85-Q88 PolarHBondContact O-N 3.45Å; K85-Q88 VanDerWaalsContact O-N 3.12Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.33Å; K85-Y89 PolarHBondContact O-N 2.93Å
86L96Very high93.9Very high0 Ų050.4 Ų50.40%024%0.242CC..Hα-helixtrans-57.5-42.3179.8-71.3172.7000111.8I54 I60 P70 L71 A74 I82 V83 Y89 K90 A91I54-L86 HydrophobicContact CD1-CD2 3.97Å; I60-L86 HydrophobicContact CG2-CD2 4.1Å; P70-L86 HydrophobicContact CB-CD1 4.33Å; P70-L86 HydrophobicContact CB-CD2 4.46Å; L71-L86 HydrophobicContact CB-CD1 4.14Å; L71-L86 HydrophobicContact CD1-CB 4.22Å; L71-L86 HydrophobicContact CD1-CD1 4.08Å; A74-L86 HydrophobicContact CB-CD1 4.09Å; I82-L86 HydrophobicContact CG2-CD1 3.97Å; I82-L86 HydrophobicContact CG2-CG 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.14Å; I82-L86 PolarHBondContact O-N 3.22Å; V83-L86 PolarHBondContact O-N 3.25Å; L86-Y89 CarbonylContact O-C 3.45Å; L86-Y89 PolarHBondContact O-N 3.47Å; L86-K90 PolarHBondContact O-N 2.9Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.39Å; L86-A91 PolarHBondContact O-N 3.01Å
87L94.3Very high93.5Very high22 Ų2250.1 Ų50.112%0.11524%0.24CC..Hα-helixtrans-65.4-39.3176.5-66.4173.8000112.6L71 V83 Q84 K85 Y89 K90 I93 L119 N122L71-L87 HydrophobicContact CD2-CD2 4.01Å; V83-L87 HydrophobicContact CG1-CD1 3.9Å; V83-L87 HydrophobicContact CG1-CG 4.42Å; V83-L87 VanDerWaalsContact O-CG 3.26Å; V83-L87 WeakPolarHBondContact O-CG 3.1Å; V83-L87 PolarHBondContact O-N 2.97Å; Q84-L87 PolarHBondContact O-N 3.23Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.34Å; L87-Y89 PolarHBondContact O-N 3.42Å; L87-K90 PolarHBondContact O-N 3.32Å; L87-I93 HydrophobicContact CD1-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CB 3.95Å; L87-I93 HydrophobicContact CD2-CD1 3.67Å; L87-I93 HydrophobicContact CD2-CG1 3.8Å; L87-L119 HydrophobicContact CD1-CD2 4.32Å; L87-N122 HydrophobicContact CD1-CB 3.83Å
88Q91.6Very high93.1Very high143 Ų14350.3 Ų50.367%0.66824%0.241SC*.Hα-helixtrans-58.3-39.4172.9-174.8-177.58.200111.5Q84 K85 K90Q84-Q88 WeakPolarHBondContact O-CB 3.48Å; Q84-Q88 PolarHBondContact O-N 3.06Å; K85-Q88 WeakPolarHBondContact O-CB 2.98Å; K85-Q88 PolarHBondContact O-N 3.45Å; K85-Q88 VanDerWaalsContact O-N 3.12Å; Q88-K90 PolarHBondContact O-N 2.8Å
89Y86.9Confident92.8Very high92 Ų9252.6 Ų52.636%0.36125%0.246SC..THydrogen-bonded Turntrans-86.826.6175.3-70.7-83.8000113.7I54 M55 K85 L86 L87 A91I54-Y89 HydrophobicContact CD1-CD2 4.24Å; I54-Y89 HydrophobicContact CG2-CD1 3.58Å; I54-Y89 HydrophobicContact CG2-CD2 3.64Å; I54-Y89 HydrophobicContact CG2-CE1 3.67Å; I54-Y89 HydrophobicContact CG2-CE2 3.76Å; I54-Y89 HydrophobicContact CG2-CG 3.56Å; M55-Y89 PolarHBondContact SD-OH 2.9Å; M55-Y89 VanDerWaalsContact SD-OH 3.36Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.33Å; K85-Y89 PolarHBondContact O-N 2.93Å; L86-Y89 CarbonylContact O-C 3.45Å; L86-Y89 PolarHBondContact O-N 3.47Å; L87-Y89 PolarHBondContact O-N 3.42Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.94Å
90K84.9Confident92.5Very high176 Ų17650.4 Ų50.477%0.76524%0.236SC*.THydrogen-bonded Turntrans59.936.2171.6-52.2-63-176.9-177.90114.2L86 L87 Q88 D92L86-K90 PolarHBondContact O-N 2.9Å; L87-K90 PolarHBondContact O-N 3.32Å; Q88-K90 PolarHBondContact O-N 2.8Å; K90-D92 PolarHBondContact O-N 3.42Å
91A89Confident92.5Very high9 Ų947 Ų477%0.07423%0.225CC..  trans-55.5136.7165.300000110.6I60 N61 L71 L86 Y89 I93I60-A91 HydrophobicContact CG2-CB 3.5Å; N61-A91 WeakPolarHBondContact OD1-CA 3.48Å; L71-A91 HydrophobicContact CB-CB 4.47Å; L71-A91 HydrophobicContact CD2-CB 3.97Å; L86-A91 HydrophobicContact CB-CB 3.95Å; L86-A91 WeakPolarHBondContact O-CB 3.39Å; L86-A91 PolarHBondContact O-N 3.01Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 2.94Å; A91-I93 PolarHBondContact O-N 2.96Å
92D87.7Confident92.4Very high78 Ų7843.8 Ų43.842%0.41721%0.207SC..  trans-69.4101.5174.2179.26000109.3N61 K90 N94 A95N61-D92 PolarHBondContact OD1-N 3.45Å; K90-D92 PolarHBondContact O-N 3.42Å; D92-N94 PolarHBondContact O-N 2.88Å; D92-N94 PolarHBondContact OD1-N 3.43Å; D92-A95 HydrophobicContact CB-CB 4.06Å; D92-A95 WeakPolarHBondContact O-CB 3.46Å; D92-A95 PolarHBondContact O-N 3.42Å; D92-A95 PolarHBondContact OD1-N 3.01Å; D92-A95 WeakPolarHBondContact OD2-CA 3.49Å
93I94.3Very high92.4Very high19 Ų1943.8 Ų43.810%0.09721%0.207CC..THydrogen-bonded Turntrans-64.3-22.1-177.1-161.6167.8000113.1L87 A91 P103 L119 N122 A124L87-I93 HydrophobicContact CD1-CD1 4.36Å; L87-I93 HydrophobicContact CD2-CB 3.95Å; L87-I93 HydrophobicContact CD2-CD1 3.67Å; L87-I93 HydrophobicContact CD2-CG1 3.8Å; A91-I93 PolarHBondContact O-N 2.96Å; I93-P103 WeakPolarHBondContact O-CD 3.33Å; I93-L119 HydrophobicContact CD1-CD2 4.03Å; I93-L119 WeakPolarHBondContact CD1-O 3.45Å; I93-L119 HydrophobicContact CG1-CD2 3.82Å; I93-N122 HydrophobicContact CD1-CB 3.75Å; I93-A124 HydrophobicContact CD1-CB 3.83Å; I93-A124 HydrophobicContact CG1-CB 3.85Å
94N93.1Very high92.4Very high37 Ų3743.8 Ų43.820%0.19821%0.207CC..THydrogen-bonded Turntrans-113.919.8-178.7-64.9-53.1000111.9D92 V96 G123 L125 I128D92-N94 PolarHBondContact O-N 2.88Å; D92-N94 PolarHBondContact OD1-N 3.43Å; N94-V96 PolarHBondContact O-N 3.2Å; N94-G123 PolarHBondContact ND2-O 3.3Å; N94-L125 PolarHBondContact OD1-N 3.12Å; N94-I128 HydrophobicContact CB-CD1 3.85Å
95A89.2Confident92.4Very high2 Ų239.5 Ų39.52%0.01719%0.187CC..  trans-55.1130.5174.400000110.1T69 H72 D92 V102 P103T69-A95 HydrophobicContact CG2-CB 3.89Å; H72-A95 PolarHBondContact CE1-O 3.32Å; H72-A95 PolarHBondContact NE2-O 3.41Å; D92-A95 HydrophobicContact CB-CB 4.06Å; D92-A95 WeakPolarHBondContact O-CB 3.46Å; D92-A95 PolarHBondContact O-N 3.42Å; D92-A95 PolarHBondContact OD1-N 3.01Å; D92-A95 WeakPolarHBondContact OD2-CA 3.49Å; A95-V102 WeakPolarHBondContact O-CA 3.43Å; A95-P103 WeakPolarHBondContact O-CD 3.27Å
96V90.3Very high92.6Very high31 Ų3139.1 Ų39.119%0.18819%0.185CC..  trans-102.6127.1-179.9-65.60000111.1N94 N101 V102 R176N94-V96 PolarHBondContact O-N 3.2Å; V96-N101 WeakPolarHBondContact CA-O 3.33Å; V96-V102 HydrophobicContact CG1-CG1 3.69Å; V96-R176 PolarHBondContact O-NH1 3.38Å
97N90Very high92.6Very high2 Ų239.1 Ų39.11%0.01119%0.185CC..  trans-82.8-173.2176.282.3-2000112.8G66 D67 D68 H99 G100 N101 Y106G66-N97 WeakPolarHBondContact O-CB 3.47Å; D67-N97 HydrophobicContact CB-CB 4.46Å; D67-N97 WeakPolarHBondContact O-CA 3.43Å; D67-N97 WeakPolarHBondContact O-CB 3.36Å; D68-N97 WeakPolarHBondContact OD1-CB 3.49Å; D68-N97 PolarHBondContact OD1-ND2 3.12Å; N97-H99 PolarHBondContact O-N 2.91Å; N97-H99 VanDerWaalsContact O-N 3.14Å; N97-H99 WeakPolarHBondContact OD1-CA 3.36Å; N97-H99 PolarHBondContact OD1-N 2.94Å; N97-G100 PolarHBondContact O-N 3.3Å; N97-G100 PolarHBondContact OD1-N 3.38Å; N97-N101 PolarHBondContact N-O 3.44Å; N97-N101 WeakPolarHBondContact OD1-CB 3.2Å; N97-N101 PolarHBondContact OD1-N 3.48Å; N97-N101 PolarHBondContact OD1-O 3.23Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.11Å
98E88.3Confident92.8Very high78 Ų7838.1 Ų38.136%0.36418%0.18SC..THydrogen-bonded Turntrans-64.6-21.6-175.375.4175136.900113.1G66 D67 K131G66-E98 WeakPolarHBondContact CA-OE1 3.28Å; G66-E98 WeakPolarHBondContact O-CB 3.39Å; G66-E98 WeakPolarHBondContact O-CG 3.32Å; G66-E98 PolarHBondContact O-N 3.32Å; D67-E98 HydrophobicContact CB-CB 4.47Å; E98-K131 WeakPolarHBondContact O-CD 3.23Å; E98-K131 WeakPolarHBondContact O-CE 3.5Å; E98-K131 PolarHBondContact O-NZ 3.14Å
99H91.7Very high93Very high70 Ų7037 Ų3732%0.32417%0.173SC..THydrogen-bonded Turntrans-95.32.4176.5-60.6-57.1000112.8N97 N101 K131N97-H99 PolarHBondContact O-N 2.91Å; N97-H99 VanDerWaalsContact O-N 3.14Å; N97-H99 WeakPolarHBondContact OD1-CA 3.36Å; N97-H99 PolarHBondContact OD1-N 2.94Å; H99-N101 PolarHBondContact O-N 3.14Å; H99-K131 WeakPolarHBondContact O-CB 3.37Å; H99-K131 WeakPolarHBondContact O-CG 3.37Å; H99-K131 PolarHBondContact O-N 3.01Å
100G92.2Very high93.5Very high0 Ų040 Ų400%018%0.184CC..SBendtrans73.49.1-173.900000113.9N97 N130N97-G100 PolarHBondContact O-N 3.3Å; N97-G100 PolarHBondContact OD1-N 3.38Å; G100-N130 WeakPolarHBondContact O-CA 3.17Å
101N96.2Very high94Very high22 Ų2232.9 Ų32.912%0.11816%0.16CC..  trans-74.9145.8174.1-67.8-44.2000109.1H72 V96 N97 H99 H105 Y106 N130H72-N101 PolarHBondContact NE2-O 2.98Å; V96-N101 WeakPolarHBondContact CA-O 3.33Å; N97-N101 PolarHBondContact N-O 3.44Å; N97-N101 WeakPolarHBondContact OD1-CB 3.2Å; N97-N101 PolarHBondContact OD1-N 3.48Å; N97-N101 PolarHBondContact OD1-O 3.23Å; H99-N101 PolarHBondContact O-N 3.14Å; N101-H105 HydrophobicContact CB-CB 3.89Å; N101-Y106 HydrophobicContact CB-CD2 4.12Å; N101-Y106 HydrophobicContact CB-CE2 3.71Å; N101-N130 VanDerWaalsContact OD1-CB 3.23Å; N101-N130 WeakPolarHBondContact OD1-CB 3.42Å; N101-N130 PolarHBondContact OD1-ND2 3.15Å
102V96.4Very high94.4Very high0 Ų035.2 Ų35.20%017%0.169CC..  trans-105.1166.6169.6-60.70000109.5A95 V96 L104 H105 I128 P136A95-V102 WeakPolarHBondContact O-CA 3.43Å; V96-V102 HydrophobicContact CG1-CG1 3.69Å; V102-L104 HydrophobicContact CG2-CB 4.07Å; V102-L104 PolarHBondContact O-N 3.35Å; V102-H105 WeakPolarHBondContact CG2-ND1 3.47Å; V102-H105 PolarHBondContact N-ND1 3.24Å; V102-H105 WeakPolarHBondContact O-CB 3.49Å; V102-H105 PolarHBondContact O-N 3.04Å; V102-I128 HydrophobicContact CG1-CB 4.47Å; V102-I128 HydrophobicContact CG1-CD1 3.97Å; V102-I128 HydrophobicContact CG1-CG2 3.96Å; V102-P136 HydrophobicContact CG2-CG 4.08Å
103P97.6Very high94.8Very high0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-52.1-34.9178.8-2935.8000114L71 H72 A75 I93 A95 H105 Y106 A107 L119L71-P103 HydrophobicContact CB-CG 4.24Å; L71-P103 HydrophobicContact CD2-CB 4.26Å; L71-P103 HydrophobicContact CD2-CG 3.89Å; L71-P103 HydrophobicContact CG-CB 3.89Å; L71-P103 HydrophobicContact CG-CG 3.8Å; H72-P103 WeakPolarHBondContact NE2-CD 2.98Å; A75-P103 HydrophobicContact CB-CB 4.11Å; I93-P103 WeakPolarHBondContact O-CD 3.33Å; A95-P103 WeakPolarHBondContact O-CD 3.27Å; P103-H105 VanDerWaalsContact C-N 3.33Å; P103-H105 PolarHBondContact O-N 3.4Å; P103-Y106 PolarHBondContact O-N 3.19Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; P103-A107 PolarHBondContact O-N 2.91Å; P103-L119 HydrophobicContact CB-CD1 4.41Å
104L98Very high94.9Very high0 Ų039.6 Ų39.60%019%0.189CC..Hα-helixtrans-63.8-33.3176.3-172.661.2000113.1V102 Y106 A107 C108 A116 L119 V120 A124 V126 P136V102-L104 HydrophobicContact CG2-CB 4.07Å; V102-L104 PolarHBondContact O-N 3.35Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.44Å; L104-A107 PolarHBondContact O-N 3.23Å; L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.18Å; L104-C108 PolarHBondContact O-SG 3.46Å; L104-A116 HydrophobicContact CD1-CB 3.77Å; L104-L119 HydrophobicContact CB-CD1 4.36Å; L104-L119 HydrophobicContact CD1-CB 4.06Å; L104-L119 HydrophobicContact CD1-CD1 4.17Å; L104-V120 HydrophobicContact CD1-CG2 4.17Å; L104-V120 HydrophobicContact CD2-CG2 3.73Å; L104-A124 HydrophobicContact CB-CB 4.37Å; L104-A124 HydrophobicContact CD2-CB 4.04Å; L104-V126 HydrophobicContact CD2-CG1 3.99Å; L104-P136 HydrophobicContact CB-CB 4.02Å; L104-P136 HydrophobicContact CB-CG 4.19Å; L104-P136 HydrophobicContact CD2-CB 3.78Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.58Å; L104-P136 HydrophobicContact CG-CG 4.11Å
105H98.1Very high95.2Very high2 Ų238 Ų381%0.00918%0.181CC..Hα-helixtrans-61.2-40.9174.1-75.490000111.1N101 V102 P103 F109 I128 E134 P136N101-H105 HydrophobicContact CB-CB 3.89Å; V102-H105 WeakPolarHBondContact CG2-ND1 3.47Å; V102-H105 PolarHBondContact N-ND1 3.24Å; V102-H105 WeakPolarHBondContact O-CB 3.49Å; V102-H105 PolarHBondContact O-N 3.04Å; P103-H105 VanDerWaalsContact C-N 3.33Å; P103-H105 PolarHBondContact O-N 3.4Å; H105-F109 VanDerWaalsContact O-CB 3.22Å; H105-F109 WeakPolarHBondContact O-CB 3.49Å; H105-F109 PolarHBondContact O-N 3.07Å; H105-I128 PolarHBondContact CE1-O 3.49Å; H105-I128 VanDerWaalsContact CE1-O 3.23Å; H105-E134 PolarHBondContact NE2-O 2.89Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.26Å; H105-P136 WeakPolarHBondContact NE2-CD 3.46Å
106Y97.9Very high95.6Very high39 Ų3937.9 Ų37.915%0.15318%0.18CC..Hα-helixtrans-68-47.2178.8-80.6-122.8000110.5D68 H72 N97 N101 P103 L104 C108 F109 W110D68-Y106 PolarHBondContact OD1-OH 2.9Å; D68-Y106 PolarHBondContact OD2-OH 3.03Å; H72-Y106 AromaticContact CD2-CE2 3.95Å; N97-Y106 WeakPolarHBondContact ND2-CE2 3.16Å; N97-Y106 PolarHBondContact ND2-OH 3.11Å; N101-Y106 HydrophobicContact CB-CD2 4.12Å; N101-Y106 HydrophobicContact CB-CE2 3.71Å; P103-Y106 PolarHBondContact O-N 3.19Å; P103-Y106 VanDerWaalsContact O-N 3.16Å; L104-Y106 VanDerWaalsContact C-N 3.28Å; L104-Y106 PolarHBondContact O-N 3.44Å; Y106-C108 VanDerWaalsContact C-N 3.31Å; Y106-C108 PolarHBondContact O-N 3.4Å; Y106-F109 PolarHBondContact O-N 3.31Å; Y106-W110 PolarHBondContact O-N 3.35Å
107A97.9Very high95.8Very high0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-57-44.9176.800000111.9A75 P103 L104 G111 Q112 V115 A116 L119A75-A107 HydrophobicContact CB-CB 4.36Å; P103-A107 PolarHBondContact O-N 2.91Å; L104-A107 PolarHBondContact O-N 3.23Å; A107-G111 PolarHBondContact O-N 3.03Å; A107-G111 VanDerWaalsContact O-N 3.12Å; A107-Q112 HydrophobicContact CB-CB 4.32Å; A107-Q112 PolarHBondContact O-N 3.43Å; A107-V115 HydrophobicContact CB-CG1 4.15Å; A107-A116 HydrophobicContact CB-CB 3.97Å; A107-L119 HydrophobicContact CB-CD1 4.09Å
108C97.6Very high96.1Very high1 Ų139.2 Ų39.21%0.00718%0.184CC..Hα-helixtrans-65.2-45.6177.2-72.30000113.1L104 Y106 G111 P136 K139 A140 L148L104-C108 WeakPolarHBondContact O-CB 3.17Å; L104-C108 PolarHBondContact O-N 3.18Å; L104-C108 PolarHBondContact O-SG 3.46Å; Y106-C108 VanDerWaalsContact C-N 3.31Å; Y106-C108 PolarHBondContact O-N 3.4Å; C108-G111 PolarHBondContact O-N 2.86Å; C108-P136 WeakPolarHBondContact CB-O 3.36Å; C108-P136 PolarHBondContact SG-O 2.78Å; C108-P136 VanDerWaalsContact SG-O 3.33Å; C108-K139 HydrophobicContact CB-CB 4.24Å; C108-A140 HydrophobicContact CB-CB 3.9Å; C108-L148 WeakPolarHBondContact SG-CD1 3.17Å
109F96.8Very high96.6Very high119 Ų11935.5 Ų35.552%0.52217%0.167SC..Hα-helixtrans-64.2-40.8-178.4-179.4-97.1000112.2H105 Y106 G111 K139H105-F109 VanDerWaalsContact O-CB 3.22Å; H105-F109 WeakPolarHBondContact O-CB 3.49Å; H105-F109 PolarHBondContact O-N 3.07Å; Y106-F109 PolarHBondContact O-N 3.31Å; F109-G111 VanDerWaalsContact C-N 3.33Å; F109-K139 HydrophobicContact CB-CB 4.2Å; F109-K139 HydrophobicContact CD2-CD 4.21Å
110W96.7Very high96.8Very high156 Ų15632.2 Ų32.259%0.59115%0.152SC*.Hα-helixtrans-86.4-0.8179.8-64.7110.8000113.8S76 Y106 Q112S76-W110 WeakPolarHBondContact O-CB 3.36Å; Y106-W110 PolarHBondContact O-N 3.35Å; W110-Q112 HydrophobicContact CB-CG 4.15Å
111G95.6Very high96.9Very high26 Ų2634 Ų3427%0.26817%0.166SC..THydrogen-bonded Turntrans70.336177.500000114A107 C108 F109 D113A107-G111 PolarHBondContact O-N 3.03Å; A107-G111 VanDerWaalsContact O-N 3.12Å; C108-G111 PolarHBondContact O-N 2.86Å; F109-G111 VanDerWaalsContact C-N 3.33Å; G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact O-N 3.02Å
112Q97.5Very high96.8Very high57 Ų5737.5 Ų37.527%0.26619%0.185SC..  trans-89.267.4179.3-55.4-63.1-5.700110.4A75 S76 G78 A107 W110 Q114 V115 A116A75-Q112 WeakPolarHBondContact O-CG 3.34Å; S76-Q112 PolarHBondContact O-NE2 3.31Å; G78-Q112 VanDerWaalsContact CA-OE1 3.3Å; A107-Q112 HydrophobicContact CB-CB 4.32Å; A107-Q112 PolarHBondContact O-N 3.43Å; W110-Q112 HydrophobicContact CB-CG 4.15Å; Q112-Q114 PolarHBondContact O-N 3.4Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.44Å; Q112-V115 PolarHBondContact O-N 2.87Å; Q112-A116 PolarHBondContact O-N 3.14Å
113D96.2Very high96.6Very high74 Ų7438.9 Ų38.940%0.39620%0.199SC..Hα-helixtrans-52.8-51.1-166.7-62-1.9000113.1G111 V115 A116 E117 L144G111-D113 VanDerWaalsContact C-N 3.32Å; G111-D113 PolarHBondContact O-N 3.02Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 2.93Å; D113-A116 PolarHBondContact O-N 3.33Å; D113-E117 WeakPolarHBondContact O-CG 3.13Å; D113-E117 PolarHBondContact O-N 3.28Å; D113-L144 HydrophobicContact CB-CD1 3.98Å; D113-L144 WeakPolarHBondContact OD1-CD2 3Å
114Q96.4Very high96.5Very high116 Ų11638.9 Ų38.954%0.54220%0.2SC..Hα-helixtrans-62.6-36.2-179.5-62.1-175.715.400112.9Q112 D118Q112-Q114 PolarHBondContact O-N 3.4Å; Q114-D118 WeakPolarHBondContact O-CB 3.2Å; Q114-D118 PolarHBondContact O-N 3.37Å
115V97.7Very high96.3Very high3 Ų341.8 Ų41.82%0.01822%0.215CC..Hα-helixtrans-71.5-41.6177.81720000110.7A75 R80 V83 A107 Q112 D113 E117 D118 L119A75-V115 HydrophobicContact CB-CG1 4.13Å; R80-V115 HydrophobicContact CB-CG2 3.92Å; R80-V115 HydrophobicContact CG-CG2 4.37Å; V83-V115 HydrophobicContact CB-CG1 4.49Å; V83-V115 HydrophobicContact CG1-CG1 4.31Å; V83-V115 HydrophobicContact CG2-CG1 3.87Å; A107-V115 HydrophobicContact CB-CG1 4.15Å; Q112-V115 HydrophobicContact CB-CB 4.1Å; Q112-V115 HydrophobicContact CB-CG2 4.44Å; Q112-V115 PolarHBondContact O-N 2.87Å; D113-V115 VanDerWaalsContact C-N 3.3Å; D113-V115 PolarHBondContact O-N 2.93Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.86Å; V115-D118 PolarHBondContact O-N 3.12Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.32Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.96Å
116A97.7Very high96.2Very high0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-61.7-41.9176.800000111.5L104 A107 Q112 D113 L119 V120 L144 L148L104-A116 HydrophobicContact CD1-CB 3.77Å; A107-A116 HydrophobicContact CB-CB 3.97Å; Q112-A116 PolarHBondContact O-N 3.14Å; D113-A116 PolarHBondContact O-N 3.33Å; A116-L119 PolarHBondContact O-N 3.16Å; A116-V120 WeakPolarHBondContact O-CG2 3.48Å; A116-V120 PolarHBondContact O-N 3.45Å; A116-L144 HydrophobicContact CB-CD1 4.25Å; A116-L144 HydrophobicContact CB-CD2 4.23Å; A116-L148 HydrophobicContact CB-CD1 3.99Å; A116-L148 HydrophobicContact CB-CD2 4.07Å
117E96.4Very high96Very high45 Ų4540 Ų4021%0.2121%0.209CC..Hα-helixtrans-61.8-47173.9-74.1-172.4-106.400112.9D113 V115 L119 V120 A121 L147 L148 R151D113-E117 WeakPolarHBondContact O-CG 3.13Å; D113-E117 PolarHBondContact O-N 3.28Å; V115-E117 VanDerWaalsContact C-N 3.32Å; V115-E117 PolarHBondContact O-N 2.86Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.09Å; E117-V120 PolarHBondContact O-N 2.99Å; E117-A121 WeakPolarHBondContact O-CB 3.48Å; E117-A121 PolarHBondContact O-N 2.99Å; E117-L147 HydrophobicContact CG-CD2 3.91Å; E117-L147 HydrophobicContact CG-CG 4.49Å; E117-L148 HydrophobicContact CG-CD2 4.21Å; E117-R151 IonicContact OE2-NH1 2.74Å; E117-R151 PolarHBondContact OE2-NH1 3.4Å
118D96.1Very high95.7Very high16 Ų1641 Ų419%0.08621%0.214CC..Hα-helixtrans-61.9-39.9177.9-81.25000111.2R80 Q84 Q114 V115 A121 N122R80-D118 WeakPolarHBondContact CG-OD2 3.47Å; R80-D118 IonicContact CZ-OD1 2.61Å; R80-D118 IonicContact CZ-OD2 3.65Å; R80-D118 IonicContact NE-OD1 3.51Å; R80-D118 IonicContact NE-OD2 3.77Å; R80-D118 PolarHBondContact NE-OD2 3.4Å; R80-D118 IonicContact NH2-OD1 3.65Å; R80-D118 PolarHBondContact NH2-OD1 3.1Å; R80-D118 IonicContact NH2-OD2 3.6Å; R80-D118 PolarHBondContact NH2-OD2 2.87Å; Q84-D118 PolarHBondContact NE2-OD2 2.74Å; Q114-D118 WeakPolarHBondContact O-CB 3.2Å; Q114-D118 PolarHBondContact O-N 3.37Å; V115-D118 PolarHBondContact O-N 3.12Å; D118-A121 PolarHBondContact O-N 3.06Å; D118-N122 PolarHBondContact O-N 2.72Å; D118-N122 PolarHBondContact O-ND2 2.88Å
119L97.3Very high95.6Very high0 Ų041.2 Ų41.20%022%0.215CC..Hα-helixtrans-61.9-48.9176-75.5170.3000111.2L71 A75 V83 L87 I93 P103 L104 A107 V115 A116 E117 A121 N122 G123 A124L71-L119 HydrophobicContact CD1-CD2 4.36Å; L71-L119 HydrophobicContact CD2-CD2 4.49Å; A75-L119 HydrophobicContact CB-CD1 4.13Å; V83-L119 HydrophobicContact CG1-CD2 4.01Å; V83-L119 HydrophobicContact CG1-CG 4.32Å; L87-L119 HydrophobicContact CD1-CD2 4.32Å; I93-L119 HydrophobicContact CD1-CD2 4.03Å; I93-L119 WeakPolarHBondContact CD1-O 3.45Å; I93-L119 HydrophobicContact CG1-CD2 3.82Å; P103-L119 HydrophobicContact CB-CD1 4.41Å; L104-L119 HydrophobicContact CB-CD1 4.36Å; L104-L119 HydrophobicContact CD1-CB 4.06Å; L104-L119 HydrophobicContact CD1-CD1 4.17Å; A107-L119 HydrophobicContact CB-CD1 4.09Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.32Å; V115-L119 WeakPolarHBondContact O-CB 3.32Å; V115-L119 VanDerWaalsContact O-CG 3.27Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.96Å; A116-L119 PolarHBondContact O-N 3.16Å; E117-L119 VanDerWaalsContact C-N 3.31Å; E117-L119 PolarHBondContact O-N 3.09Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 2.89Å; L119-N122 CarbonylContact O-C 3.55Å; L119-N122 PolarHBondContact O-N 3.27Å; L119-N122 VanDerWaalsContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 2.81Å; L119-A124 VanDerWaalsContact C-CB 3.44Å; L119-A124 HydrophobicContact CB-CB 3.89Å; L119-A124 WeakPolarHBondContact O-CB 3.49Å; L119-A124 PolarHBondContact O-N 3.38Å
120V96.3Very high95.5Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-61.3-42.5177.1173.50000110.9L104 A116 E117 N122 G123 V126 L148 R151 A152 M155L104-V120 HydrophobicContact CD1-CG2 4.17Å; L104-V120 HydrophobicContact CD2-CG2 3.73Å; A116-V120 WeakPolarHBondContact O-CG2 3.48Å; A116-V120 PolarHBondContact O-N 3.45Å; E117-V120 PolarHBondContact O-N 2.99Å; V120-N122 PolarHBondContact O-N 2.79Å; V120-G123 PolarHBondContact O-N 3.35Å; V120-V126 HydrophobicContact CG1-CG1 4.48Å; V120-V126 HydrophobicContact CG2-CG1 3.71Å; V120-L148 HydrophobicContact CG2-CD2 3.9Å; V120-R151 HydrophobicContact CG1-CB 4.49Å; V120-R151 HydrophobicContact CG1-CG 4.3Å; V120-A152 HydrophobicContact CG1-CB 4.31Å; V120-M155 HydrophobicContact CG1-SD 4.27Å; V120-M155 VanDerWaalsContact O-SD 3.33Å
121A94.5Very high95.3Very high37 Ų3732.5 Ų32.531%0.30618%0.181SC..Hα-helixtrans-60.7-26.5176.900000113.6E117 D118 L119 M155E117-A121 WeakPolarHBondContact O-CB 3.48Å; E117-A121 PolarHBondContact O-N 2.99Å; D118-A121 PolarHBondContact O-N 3.06Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 2.89Å; A121-M155 WeakPolarHBondContact O-CE 3.37Å
122N94.2Very high95.2Very high96 Ų9638.7 Ų38.751%0.51320%0.197SC..THydrogen-bonded Turntrans-96.411.8176.6-75.5-85.7000113.6L87 I93 D118 L119 V120L87-N122 HydrophobicContact CD1-CB 3.83Å; I93-N122 HydrophobicContact CD1-CB 3.75Å; D118-N122 PolarHBondContact O-N 2.72Å; D118-N122 PolarHBondContact O-ND2 2.88Å; L119-N122 CarbonylContact O-C 3.55Å; L119-N122 PolarHBondContact O-N 3.27Å; L119-N122 VanDerWaalsContact O-N 3.12Å; V120-N122 PolarHBondContact O-N 2.79Å
123G92.6Very high95Very high29 Ų2937.8 Ų37.830%0.29920%0.203SC..THydrogen-bonded Turntrans96.517.5173.200000115.7N94 L119 V120 L125N94-G123 PolarHBondContact ND2-O 3.3Å; L119-G123 PolarHBondContact O-N 2.81Å; V120-G123 PolarHBondContact O-N 3.35Å; G123-L125 PolarHBondContact O-N 3.44Å
124A94.8Very high94.9Very high1 Ų137 Ų371%0.00820%0.197CC..  trans-64.213117000000109.8I93 L104 L119 Q157I93-A124 HydrophobicContact CD1-CB 3.83Å; I93-A124 HydrophobicContact CG1-CB 3.85Å; L104-A124 HydrophobicContact CB-CB 4.37Å; L104-A124 HydrophobicContact CD2-CB 4.04Å; L119-A124 VanDerWaalsContact C-CB 3.44Å; L119-A124 HydrophobicContact CB-CB 3.89Å; L119-A124 WeakPolarHBondContact O-CB 3.49Å; L119-A124 PolarHBondContact O-N 3.38Å; A124-Q157 PolarHBondContact O-NE2 3.06Å; A124-Q157 PolarHBondContact O-OE1 2.77Å
125L94.3Very high94.9Very high60 Ų6032.1 Ų32.131%0.31417%0.174SC..  trans-84.3118.5-178.1-65.6176.9000110.5N94 G123 S127 I128 I162N94-L125 PolarHBondContact OD1-N 3.12Å; G123-L125 PolarHBondContact O-N 3.44Å; L125-S127 PolarHBondContact O-N 3.4Å; L125-I128 HydrophobicContact CB-CD1 3.76Å; L125-I128 HydrophobicContact CB-CG1 3.78Å; L125-I128 HydrophobicContact CD1-CD1 4.05Å; L125-I128 HydrophobicContact CD1-CG1 4.25Å; L125-I128 HydrophobicContact CG-CD1 4.42Å; L125-I162 HydrophobicContact CD1-CD1 4.28Å
126V95.3Very high94.8Very high2 Ų232 Ų321%0.01217%0.174CC..THydrogen-bonded Turntrans-74.6-9.7177.7-59.60000113.5L104 V120 M135 P136 V137 A152 L159L104-V126 HydrophobicContact CD2-CG1 3.99Å; V120-V126 HydrophobicContact CG1-CG1 4.48Å; V120-V126 HydrophobicContact CG2-CG1 3.71Å; V126-M135 WeakPolarHBondContact O-CB 3.46Å; V126-P136 WeakPolarHBondContact O-CD 3.38Å; V126-V137 HydrophobicContact CB-CG1 4.01Å; V126-V137 HydrophobicContact CG1-CG1 4.19Å; V126-A152 HydrophobicContact CB-CB 4.37Å; V126-A152 HydrophobicContact CG1-CB 3.85Å; V126-A152 HydrophobicContact CG2-CB 3.57Å; V126-L159 HydrophobicContact CG2-CD2 3.46Å; V126-L159 VanDerWaalsContact CG2-CD2 3.46Å
127S94.1Very high94.6Very high3 Ų332.1 Ų32.12%0.02117%0.174CC..THydrogen-bonded Turntrans-100.1-6.5-173.152.80000114.9L125 C129 N158 N160 I162L125-S127 PolarHBondContact O-N 3.4Å; S127-C129 PolarHBondContact O-N 3.2Å; S127-N158 WeakPolarHBondContact CB-O 3.33Å; S127-N158 PolarHBondContact OG-O 2.84Å; S127-N160 VanDerWaalsContact CB-O 3.29Å; S127-N160 WeakPolarHBondContact CB-O 3.43Å; S127-I162 PolarHBondContact O-N 2.73Å; S127-I162 WeakPolarHBondContact OG-CD1 3.41Å
128I92.6Very high94.6Very high21 Ų2131.9 Ų31.911%0.10818%0.175CC..BIsolated β-bridgetrans-65.9120177.3-64.1173.3000109.3N94 V102 H105 L125 P136 I162N94-I128 HydrophobicContact CB-CD1 3.85Å; V102-I128 HydrophobicContact CG1-CB 4.47Å; V102-I128 HydrophobicContact CG1-CD1 3.97Å; V102-I128 HydrophobicContact CG1-CG2 3.96Å; H105-I128 PolarHBondContact CE1-O 3.49Å; H105-I128 VanDerWaalsContact CE1-O 3.23Å; L125-I128 HydrophobicContact CB-CD1 3.76Å; L125-I128 HydrophobicContact CB-CG1 3.78Å; L125-I128 HydrophobicContact CD1-CD1 4.05Å; L125-I128 HydrophobicContact CD1-CG1 4.25Å; L125-I128 HydrophobicContact CG-CD1 4.42Å; I128-P136 VanDerWaalsContact O-CD 3.25Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å
129C94.9Very high94.5Very high4 Ų434.2 Ų34.23%0.02718%0.184CC..  trans-87.4139174.2-63.50000110.8S127 E134 I162 Y164S127-C129 PolarHBondContact O-N 3.2Å; C129-E134 WeakPolarHBondContact CA-O 3.42Å; C129-I162 WeakPolarHBondContact CB-O 3.46Å; C129-I162 PolarHBondContact N-O 3.35Å; C129-Y164 WeakPolarHBondContact O-CB 3.18Å
130N94.4Very high94.3Very high2 Ų234.4 Ų34.41%0.01119%0.186CC..  trans-75.9-176.616870.912.4000111.9G100 N101 Y132 G133 E134 Y164G100-N130 WeakPolarHBondContact O-CA 3.17Å; N101-N130 VanDerWaalsContact OD1-CB 3.23Å; N101-N130 WeakPolarHBondContact OD1-CB 3.42Å; N101-N130 PolarHBondContact OD1-ND2 3.15Å; N130-Y132 PolarHBondContact O-N 3.33Å; N130-Y132 VanDerWaalsContact O-N 3.1Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.18Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.37Å; N130-Y132 PolarHBondContact OD1-N 2.89Å; N130-G133 PolarHBondContact O-N 2.75Å; N130-G133 PolarHBondContact OD1-N 3.32Å; N130-E134 PolarHBondContact N-O 3.34Å; N130-E134 PolarHBondContact ND2-OE2 3.3Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.28Å; N130-Y164 WeakPolarHBondContact O-CB 3.16Å
131K93.3Very high94.2Very high91 Ų9141.9 Ų41.940%0.39622%0.218SC..THydrogen-bonded Turntrans-58.6-21.1177.7-78.4-174.3177.1178.60114.4E98 H99 Y164E98-K131 WeakPolarHBondContact O-CD 3.23Å; E98-K131 WeakPolarHBondContact O-CE 3.5Å; E98-K131 PolarHBondContact O-NZ 3.14Å; H99-K131 WeakPolarHBondContact O-CB 3.37Å; H99-K131 WeakPolarHBondContact O-CG 3.37Å; H99-K131 PolarHBondContact O-N 3.01Å; K131-Y164 HydrophobicContact CB-CD1 4.48Å; K131-Y164 HydrophobicContact CD-CE1 4.02Å; K131-Y164 VanDerWaalsContact CE-CE1 3.4Å; K131-Y164 WeakPolarHBondContact CE-OH 3.09Å; K131-Y164 HydrophobicContact CG-CD1 3.57Å; K131-Y164 HydrophobicContact CG-CD2 4.34Å; K131-Y164 HydrophobicContact CG-CE1 3.39Å; K131-Y164 HydrophobicContact CG-CE2 4.19Å; K131-Y164 HydrophobicContact CG-CG 4.04Å
132Y93.3Very high94.1Very high156 Ų15643.1 Ų43.161%0.61223%0.228SC*.THydrogen-bonded Turntrans-92.92.3178.9-49.6-71.5000112.7N130 E134N130-Y132 PolarHBondContact O-N 3.33Å; N130-Y132 VanDerWaalsContact O-N 3.1Å; N130-Y132 WeakPolarHBondContact OD1-CA 3.18Å; N130-Y132 WeakPolarHBondContact OD1-CB 3.37Å; N130-Y132 PolarHBondContact OD1-N 2.89Å; Y132-E134 VanDerWaalsContact C-N 3.27Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.32Å; Y132-E134 PolarHBondContact O-N 3.08Å
133G93.1Very high94Very high38 Ų3843.6 Ų43.639%0.39224%0.237SC..SBendtrans78.48.9-178.500000114.1N130 R161N130-G133 PolarHBondContact O-N 2.75Å; N130-G133 PolarHBondContact OD1-N 3.32Å; G133-R161 PolarHBondContact O-NH1 3.2Å
134E94.5Very high94.1Very high56 Ų5642.3 Ų42.326%0.26222%0.223SC..  trans-91.1137.6-177.4-56.3167.1115.800110H105 C129 N130 Y132 D138 K139H105-E134 PolarHBondContact NE2-O 2.89Å; C129-E134 WeakPolarHBondContact CA-O 3.42Å; N130-E134 PolarHBondContact N-O 3.34Å; N130-E134 PolarHBondContact ND2-OE2 3.3Å; N130-E134 PolarHBondContact OD1-N 2.9Å; N130-E134 PolarHBondContact OD1-O 3.28Å; Y132-E134 VanDerWaalsContact C-N 3.27Å; Y132-E134 WeakPolarHBondContact CB-OE2 3.32Å; Y132-E134 PolarHBondContact O-N 3.08Å; E134-D138 HydrophobicContact CB-CB 4.3Å; E134-K139 VanDerWaalsContact CD-CE 3.41Å; E134-K139 WeakPolarHBondContact OE1-CE 3.44Å; E134-K139 IonicContact OE1-NZ 2.7Å; E134-K139 PolarHBondContact OE1-NZ 2.91Å; E134-K139 WeakPolarHBondContact OE2-CE 3.43Å; E134-K139 IonicContact OE2-NZ 2.63Å; E134-K139 PolarHBondContact OE2-NZ 3.49Å
135M95.4Very high94.1Very high14 Ų1445.9 Ų45.97%0.06924%0.236CC..  trans-84.2162.1170.9-67.6-178.1-58.800110.8V126 V137 D138 K139 R161V126-M135 WeakPolarHBondContact O-CB 3.46Å; M135-V137 HydrophobicContact CB-CG2 3.87Å; M135-V137 HydrophobicContact CE-CG2 3.94Å; M135-V137 PolarHBondContact O-N 3.46Å; M135-D138 PolarHBondContact N-OD2 3.42Å; M135-D138 WeakPolarHBondContact O-CB 3.45Å; M135-D138 PolarHBondContact O-N 2.98Å; M135-K139 PolarHBondContact O-N 3.45Å; M135-R161 HydrophobicContact CE-CG 4.44Å; M135-R161 HydrophobicContact CG-CG 4.26Å; M135-R161 HydrophobicContact SD-CG 3.8Å
136P95.2Very high94Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-53.3-41.4174.6-22.926.5000112.8V102 L104 H105 C108 V126 I128 D138 K139 A140V102-P136 HydrophobicContact CG2-CG 4.08Å; L104-P136 HydrophobicContact CB-CB 4.02Å; L104-P136 HydrophobicContact CB-CG 4.19Å; L104-P136 HydrophobicContact CD2-CB 3.78Å; L104-P136 HydrophobicContact CD2-CG 3.98Å; L104-P136 HydrophobicContact CG-CB 3.58Å; L104-P136 HydrophobicContact CG-CG 4.11Å; H105-P136 VanDerWaalsContact CE1-CD 3.41Å; H105-P136 WeakPolarHBondContact CE1-CD 3.26Å; H105-P136 WeakPolarHBondContact NE2-CD 3.46Å; C108-P136 WeakPolarHBondContact CB-O 3.36Å; C108-P136 PolarHBondContact SG-O 2.78Å; C108-P136 VanDerWaalsContact SG-O 3.33Å; V126-P136 WeakPolarHBondContact O-CD 3.38Å; I128-P136 VanDerWaalsContact O-CD 3.25Å; I128-P136 WeakPolarHBondContact O-CD 3.23Å; P136-D138 VanDerWaalsContact C-N 3.26Å; P136-D138 PolarHBondContact O-N 3.05Å; P136-K139 WeakPolarHBondContact O-CB 3.34Å; P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.16Å; P136-A140 PolarHBondContact O-N 2.92Å
137V94.5Very high94Very high3 Ų351.2 Ų51.22%0.01826%0.261CS..Hα-helixtrans-67.7-22.5178.5-66.20000113.5V126 M135 K139 A140 R145 L148 R149V126-V137 HydrophobicContact CB-CG1 4.01Å; V126-V137 HydrophobicContact CG1-CG1 4.19Å; M135-V137 HydrophobicContact CB-CG2 3.87Å; M135-V137 HydrophobicContact CE-CG2 3.94Å; M135-V137 PolarHBondContact O-N 3.46Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-A140 PolarHBondContact O-N 3.06Å; V137-R145 HydrophobicContact CB-CG 4.27Å; V137-R145 WeakPolarHBondContact O-CG 3.29Å; V137-R145 PolarHBondContact O-NE 2.52Å; V137-L148 HydrophobicContact CG1-CB 3.93Å; V137-L148 HydrophobicContact CG1-CD1 4.31Å; V137-R149 HydrophobicContact CG1-CG 4.46Å
138D95Very high94Very high41 Ų4151.1 Ų51.122%0.21926%0.26CS..Hα-helixtrans-71.6-30175.3-63.8-25.3000110.3E134 M135 P136 R145 R161E134-D138 HydrophobicContact CB-CB 4.3Å; M135-D138 PolarHBondContact N-OD2 3.42Å; M135-D138 WeakPolarHBondContact O-CB 3.45Å; M135-D138 PolarHBondContact O-N 2.98Å; P136-D138 VanDerWaalsContact C-N 3.26Å; P136-D138 PolarHBondContact O-N 3.05Å; D138-R145 PolarHBondContact O-NH2 3.45Å; D138-R161 IonicContact OD1-NH2 2.97Å; D138-R161 IonicContact OD2-CZ 3.72Å; D138-R161 IonicContact OD2-NH1 2.84Å; D138-R161 PolarHBondContact OD2-NH1 2.82Å; D138-R161 IonicContact OD2-NH2 3.67Å; D138-R161 PolarHBondContact OD2-NH2 2.99Å; D138-R161 VanDerWaalsContact OD2-NH2 3.13Å
139K94.2Very high94.1Very high64 Ų6454.1 Ų54.128%0.27827%0.27SS..Hα-helixtrans-78.6-17.1174.2-64-57.2-163-173.70114.3C108 F109 E134 M135 P136 V137C108-K139 HydrophobicContact CB-CB 4.24Å; F109-K139 HydrophobicContact CB-CB 4.2Å; F109-K139 HydrophobicContact CD2-CD 4.21Å; E134-K139 VanDerWaalsContact CD-CE 3.41Å; E134-K139 WeakPolarHBondContact OE1-CE 3.44Å; E134-K139 IonicContact OE1-NZ 2.7Å; E134-K139 PolarHBondContact OE1-NZ 2.91Å; E134-K139 WeakPolarHBondContact OE2-CE 3.43Å; E134-K139 IonicContact OE2-NZ 2.63Å; E134-K139 PolarHBondContact OE2-NZ 3.49Å; M135-K139 PolarHBondContact O-N 3.45Å; P136-K139 WeakPolarHBondContact O-CB 3.34Å; P136-K139 PolarHBondContact O-N 3.13Å; P136-K139 VanDerWaalsContact O-N 3.16Å; V137-K139 VanDerWaalsContact C-N 3.3Å
140A94.7Very high94Very high4 Ų458.5 Ų58.53%0.03329%0.291CS..SBendtrans-75.6150.9-179.100000112.4C108 P136 V137 L144 R145C108-A140 HydrophobicContact CB-CB 3.9Å; P136-A140 PolarHBondContact O-N 2.92Å; V137-A140 PolarHBondContact O-N 3.06Å; A140-L144 HydrophobicContact CB-CB 4.17Å; A140-L144 HydrophobicContact CB-CD2 3.89Å; A140-L144 HydrophobicContact CB-CG 4.03Å; A140-R145 HydrophobicContact CB-CB 4.2Å; A140-R145 PolarHBondContact O-NH2 2.67Å
141K93.6Very high94Very high157 Ų15762.6 Ų62.668%0.68331%0.306SS*.  trans-63.9155.3165.4-65.6178.5-177.5171.30110.1L144 R145K141-L144 PolarHBondContact O-N 2.52Å; K141-L144 VanDerWaalsContact O-N 3.15Å; K141-R145 PolarHBondContact O-N 3Å
142A91.9Very high94Very high63 Ų6358.2 Ų58.252%0.52129%0.287SS..Hα-helixtrans-51.1-45.4-173.500000114.9L144 R145 E146A142-L144 PolarHBondContact O-N 2.8Å; A142-R145 PolarHBondContact O-N 3.09Å; A142-E146 PolarHBondContact O-N 3.21Å
143P93.3Very high94Very high106 Ų10656.4 Ų56.469%0.68828%0.284SS*.Hα-helixtrans-62.8-44.8179.5-22.134000113.1L147P143-L147 WeakPolarHBondContact O-CB 3.23Å; P143-L147 PolarHBondContact O-N 2.91Å
144L93.8Very high94Very high3 Ų362.1 Ų62.12%0.01630%0.298CS..Hα-helixtrans-67.1-39.317917964.1000111.4D113 A116 A140 K141 A142 E146 L147 L148D113-L144 HydrophobicContact CB-CD1 3.98Å; D113-L144 WeakPolarHBondContact OD1-CD2 3Å; A116-L144 HydrophobicContact CB-CD1 4.25Å; A116-L144 HydrophobicContact CB-CD2 4.23Å; A140-L144 HydrophobicContact CB-CB 4.17Å; A140-L144 HydrophobicContact CB-CD2 3.89Å; A140-L144 HydrophobicContact CB-CG 4.03Å; K141-L144 PolarHBondContact O-N 2.52Å; K141-L144 VanDerWaalsContact O-N 3.15Å; A142-L144 PolarHBondContact O-N 2.8Å; L144-E146 PolarHBondContact O-N 3.15Å; L144-L147 PolarHBondContact O-N 2.85Å; L144-L148 HydrophobicContact CD1-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.78Å; L144-L148 HydrophobicContact CD2-CD1 4.21Å; L144-L148 HydrophobicContact CG-CD1 3.74Å; L144-L148 HydrophobicContact CG-CG 4.05Å; L144-L148 WeakPolarHBondContact O-CB 3.13Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.97Å
145R94.2Very high93.8Very high76 Ų7663.8 Ų63.829%0.28731%0.307SS..Hα-helixtrans-56.3-51.3178.9177.5-176.1-60.8159.54.3111.9V137 D138 A140 K141 A142 L148 R149V137-R145 HydrophobicContact CB-CG 4.27Å; V137-R145 WeakPolarHBondContact O-CG 3.29Å; V137-R145 PolarHBondContact O-NE 2.52Å; D138-R145 PolarHBondContact O-NH2 3.45Å; A140-R145 HydrophobicContact CB-CB 4.2Å; A140-R145 PolarHBondContact O-NH2 2.67Å; K141-R145 PolarHBondContact O-N 3Å; A142-R145 PolarHBondContact O-N 3.09Å; R145-L148 PolarHBondContact O-N 3.26Å; R145-R149 WeakPolarHBondContact O-CG 2.95Å; R145-R149 PolarHBondContact O-N 2.92Å
146E93.7Very high93.6Very high109 Ų10966.4 Ų66.451%0.50934%0.337SS..Hα-helixtrans-66.3-41.5-178.4-60.1-46.8127.600111A142 L144 L148 R149 E150A142-E146 PolarHBondContact O-N 3.21Å; L144-E146 PolarHBondContact O-N 3.15Å; E146-L148 PolarHBondContact O-N 2.78Å; E146-R149 PolarHBondContact O-N 2.84Å; E146-E150 WeakPolarHBondContact O-CB 2.96Å; E146-E150 PolarHBondContact O-N 3.43Å
147L94.1Very high93.4Very high65 Ų6567.8 Ų67.834%0.3434%0.344SS..Hα-helixtrans-58.6-47.3176.2-178.765.5000112.6E117 P143 L144 R151E117-L147 HydrophobicContact CG-CD2 3.91Å; E117-L147 HydrophobicContact CG-CG 4.49Å; P143-L147 WeakPolarHBondContact O-CB 3.23Å; P143-L147 PolarHBondContact O-N 2.91Å; L144-L147 PolarHBondContact O-N 2.85Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 PolarHBondContact O-N 3.26Å
148L94.8Very high93.1Very high0 Ų072.6 Ų72.60%037%0.369CS..Hα-helixtrans-68.7-35.6-179.7-66.4177.4000112.1C108 A116 E117 V120 V137 L144 R145 E146 A152C108-L148 WeakPolarHBondContact SG-CD1 3.17Å; A116-L148 HydrophobicContact CB-CD1 3.99Å; A116-L148 HydrophobicContact CB-CD2 4.07Å; E117-L148 HydrophobicContact CG-CD2 4.21Å; V120-L148 HydrophobicContact CG2-CD2 3.9Å; V137-L148 HydrophobicContact CG1-CB 3.93Å; V137-L148 HydrophobicContact CG1-CD1 4.31Å; L144-L148 HydrophobicContact CD1-CD1 3.9Å; L144-L148 HydrophobicContact CD1-CD2 4.11Å; L144-L148 HydrophobicContact CD1-CG 3.78Å; L144-L148 HydrophobicContact CD2-CD1 4.21Å; L144-L148 HydrophobicContact CG-CD1 3.74Å; L144-L148 HydrophobicContact CG-CG 4.05Å; L144-L148 WeakPolarHBondContact O-CB 3.13Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.33Å; L144-L148 PolarHBondContact O-N 2.97Å; R145-L148 PolarHBondContact O-N 3.26Å; E146-L148 PolarHBondContact O-N 2.78Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.1Å; L148-A152 PolarHBondContact O-N 3.49Å
149R94.1Very high92.8Very high84 Ų8473.3 Ų73.332%0.31737%0.373SS..Hα-helixtrans-64.3-51.5174.7-76.5177.9175-147.3-0.4111.2V137 R145 E146 R151 A152 E153V137-R149 HydrophobicContact CG1-CG 4.46Å; R145-R149 WeakPolarHBondContact O-CG 2.95Å; R145-R149 PolarHBondContact O-N 2.92Å; E146-R149 PolarHBondContact O-N 2.84Å; R149-R151 PolarHBondContact O-N 3.29Å; R149-A152 PolarHBondContact O-N 3.42Å; R149-E153 WeakPolarHBondContact O-CG 3.15Å; R149-E153 PolarHBondContact O-N 3.11Å
150E93.2Very high92.6Very high97 Ų9775.8 Ų75.845%0.45339%0.389SS..Hα-helixtrans-57.2-41.9177.7-171.1-167.7155.100111E146 K154E146-E150 WeakPolarHBondContact O-CB 2.96Å; E146-E150 PolarHBondContact O-N 3.43Å; E150-K154 HydrophobicContact CG-CD 4.43Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CG 3.36Å; E150-K154 PolarHBondContact O-N 3.33Å; E150-K154 WeakPolarHBondContact OE1-CE 3.09Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å
151R93.7Very high92.4Very high87 Ų8781.7 Ų81.733%0.32841%0.41SS..Hα-helixtrans-68.4-41.9178.6-165.3162.7-171.1156.6-0.4112.6E117 V120 L147 R149 K154 M155E117-R151 IonicContact OE2-NH1 2.74Å; E117-R151 PolarHBondContact OE2-NH1 3.4Å; V120-R151 HydrophobicContact CG1-CB 4.49Å; V120-R151 HydrophobicContact CG1-CG 4.3Å; L147-R151 VanDerWaalsContact O-CB 3.31Å; L147-R151 WeakPolarHBondContact O-CB 3.47Å; L147-R151 PolarHBondContact O-N 3.26Å; R149-R151 PolarHBondContact O-N 3.29Å; R151-K154 PolarHBondContact O-N 3.32Å; R151-M155 WeakPolarHBondContact O-CG 3.4Å; R151-M155 PolarHBondContact O-N 2.82Å; R151-M155 VanDerWaalsContact O-N 3.12Å
152A93.4Very high92.2Very high0 Ų077.9 Ų77.90%040%0.397CS..Hα-helixtrans-64.6-39.7176.500000112.1V120 V126 L148 R149 M155 G156 Q157 L159V120-A152 HydrophobicContact CG1-CB 4.31Å; V126-A152 HydrophobicContact CB-CB 4.37Å; V126-A152 HydrophobicContact CG1-CB 3.85Å; V126-A152 HydrophobicContact CG2-CB 3.57Å; L148-A152 VanDerWaalsContact O-CB 3.25Å; L148-A152 WeakPolarHBondContact O-CB 3.1Å; L148-A152 PolarHBondContact O-N 3.49Å; R149-A152 PolarHBondContact O-N 3.42Å; A152-M155 CarbonylContact O-C 3.58Å; A152-M155 PolarHBondContact O-N 3.03Å; A152-G156 PolarHBondContact O-N 3.47Å; A152-Q157 HydrophobicContact CB-CB 4.2Å; A152-Q157 HydrophobicContact CB-CG 4.37Å; A152-Q157 WeakPolarHBondContact O-CB 3.15Å; A152-Q157 PolarHBondContact O-N 2.82Å; A152-L159 HydrophobicContact CB-CD2 4.13Å
153E93.2Very high92Very high117 Ų11779 Ų7955%0.54740%0.399SS..Hα-helixtrans-63.2-45.4173.8-72.6177.117400111.8R149 M155 G156 L159R149-E153 WeakPolarHBondContact O-CG 3.15Å; R149-E153 PolarHBondContact O-N 3.11Å; E153-M155 PolarHBondContact O-N 2.99Å; E153-G156 PolarHBondContact O-N 2.98Å; E153-L159 HydrophobicContact CG-CD1 3.7Å; E153-L159 HydrophobicContact CG-CG 4.32Å; E153-L159 VanDerWaalsContact OE1-CD1 3.27Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.21Å
154K92.8Very high91.6Very high159 Ų15976.4 Ų76.469%0.69138%0.376SS*.Hα-helixtrans-59-28.8174.7-78.6172.9172.9170.80113E150 R151 G156E150-K154 HydrophobicContact CG-CD 4.43Å; E150-K154 WeakPolarHBondContact O-CB 3.24Å; E150-K154 WeakPolarHBondContact O-CG 3.36Å; E150-K154 PolarHBondContact O-N 3.33Å; E150-K154 WeakPolarHBondContact OE1-CE 3.09Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 2.87Å; R151-K154 PolarHBondContact O-N 3.32Å; K154-G156 VanDerWaalsContact C-N 3.33Å
155M91.6Very high90.8Very high91 Ų9184.1 Ų84.145%0.44841%0.409SS..THydrogen-bonded Turntrans-871.7175.2-68.3-174.572.300113.8V120 A121 R151 A152 E153V120-M155 HydrophobicContact CG1-SD 4.27Å; V120-M155 VanDerWaalsContact O-SD 3.33Å; A121-M155 WeakPolarHBondContact O-CE 3.37Å; R151-M155 WeakPolarHBondContact O-CG 3.4Å; R151-M155 PolarHBondContact O-N 2.82Å; R151-M155 VanDerWaalsContact O-N 3.12Å; A152-M155 CarbonylContact O-C 3.58Å; A152-M155 PolarHBondContact O-N 3.03Å; E153-M155 PolarHBondContact O-N 2.99Å
156G91Very high89.3Confident68 Ų6885 Ų8570%0.70142%0.419SS*.THydrogen-bonded Turntrans73.921179.600000114.5A152 E153 K154A152-G156 PolarHBondContact O-N 3.47Å; E153-G156 PolarHBondContact O-N 2.98Å; K154-G156 VanDerWaalsContact C-N 3.33Å
157Q91.2Very high87.4Confident29 Ų2983.1 Ų83.114%0.13642%0.416CS..  trans-70.5140.3175.8-64.2-164.914.500111.4A124 A152 L159A124-Q157 PolarHBondContact O-NE2 3.06Å; A124-Q157 PolarHBondContact O-OE1 2.77Å; A152-Q157 HydrophobicContact CB-CB 4.2Å; A152-Q157 HydrophobicContact CB-CG 4.37Å; A152-Q157 WeakPolarHBondContact O-CB 3.15Å; A152-Q157 PolarHBondContact O-N 2.82Å; Q157-L159 PolarHBondContact O-N 2.8Å
158N88.1Confident85Confident105 Ų10583.8 Ų83.856%0.56142%0.416SS*.  trans-79.4117.9170.1-170.7-20.5000110S127 N160S127-N158 WeakPolarHBondContact CB-O 3.33Å; S127-N158 PolarHBondContact OG-O 2.84Å; N158-N160 PolarHBondContact O-N 2.82Å; N158-N160 VanDerWaalsContact OD1-CB 3.23Å; N158-N160 WeakPolarHBondContact OD1-CB 3.36Å; N158-N160 PolarHBondContact OD1-N 2.84Å; N158-N160 PolarHBondContact OD1-ND2 3.34Å
159L87.3Confident81.9Confident55 Ų5593.5 Ų93.529%0.28845%0.453SS..  trans-79.81.2-178.9-58.6-174.7000114.1V126 A152 E153 Q157 R161V126-L159 HydrophobicContact CG2-CD2 3.46Å; V126-L159 VanDerWaalsContact CG2-CD2 3.46Å; A152-L159 HydrophobicContact CB-CD2 4.13Å; E153-L159 HydrophobicContact CG-CD1 3.7Å; E153-L159 HydrophobicContact CG-CG 4.32Å; E153-L159 VanDerWaalsContact OE1-CD1 3.27Å; E153-L159 WeakPolarHBondContact OE1-CD1 3.21Å; Q157-L159 PolarHBondContact O-N 2.8Å; L159-R161 PolarHBondContact O-N 2.96Å
160N90.3Very high79Confident116 Ų11699.7 Ų99.762%0.6248%0.482SS*.SBendtrans-63.5128.1174-70.9-19.3000110.6S127 N158 I162S127-N160 VanDerWaalsContact CB-O 3.29Å; S127-N160 WeakPolarHBondContact CB-O 3.43Å; N158-N160 PolarHBondContact O-N 2.82Å; N158-N160 VanDerWaalsContact OD1-CB 3.23Å; N158-N160 WeakPolarHBondContact OD1-CB 3.36Å; N158-N160 PolarHBondContact OD1-N 2.84Å; N158-N160 PolarHBondContact OD1-ND2 3.34Å; N160-I162 PolarHBondContact O-N 3.04Å; N160-I162 VanDerWaalsContact O-N 3.17Å
161R90.5Very high76.1Confident128 Ų12898.9 Ų98.948%0.48350%0.499SS..  trans-51.3120.3178.5-71.8-173.7-173.3-91.1-9.5111G133 M135 D138 L159 P163G133-R161 PolarHBondContact O-NH1 3.2Å; M135-R161 HydrophobicContact CE-CG 4.44Å; M135-R161 HydrophobicContact CG-CG 4.26Å; M135-R161 HydrophobicContact SD-CG 3.8Å; D138-R161 IonicContact OD1-NH2 2.97Å; D138-R161 IonicContact OD2-CZ 3.72Å; D138-R161 IonicContact OD2-NH1 2.84Å; D138-R161 PolarHBondContact OD2-NH1 2.82Å; D138-R161 IonicContact OD2-NH2 3.67Å; D138-R161 PolarHBondContact OD2-NH2 2.99Å; D138-R161 VanDerWaalsContact OD2-NH2 3.13Å; L159-R161 PolarHBondContact O-N 2.96Å; R161-P163 WeakPolarHBondContact O-CD 3.45Å
162I89.8Confident73.2Confident78 Ų7899.2 Ų99.240%0.451%0.511SS..BIsolated β-bridgetrans-89.3106.3169.9-58.7172000106.4L125 S127 I128 C129 N160L125-I162 HydrophobicContact CD1-CD1 4.28Å; S127-I162 PolarHBondContact O-N 2.73Å; S127-I162 WeakPolarHBondContact OG-CD1 3.41Å; I128-I162 HydrophobicContact CG1-CD1 4.37Å; C129-I162 WeakPolarHBondContact CB-O 3.46Å; C129-I162 PolarHBondContact N-O 3.35Å; N160-I162 PolarHBondContact O-N 3.04Å; N160-I162 VanDerWaalsContact O-N 3.17Å
163P88.1Confident70.1Confident87 Ų87103.4 Ų103.457%0.56554%0.537SS*.  trans-66142.9-174.326.8-34.3000111.2R161 K165R161-P163 WeakPolarHBondContact O-CD 3.45Å; P163-K165 PolarHBondContact O-N 3.29Å; P163-K165 VanDerWaalsContact O-N 3.16Å
164Y85.2Confident67.2Low51 Ų51108 Ų10820%0.255%0.549CS..  trans-58.7119.9170.6-179.8-101.4000109.6C129 N130 K131 D166C129-Y164 WeakPolarHBondContact O-CB 3.18Å; N130-Y164 WeakPolarHBondContact O-CB 3.16Å; K131-Y164 HydrophobicContact CB-CD1 4.48Å; K131-Y164 HydrophobicContact CD-CE1 4.02Å; K131-Y164 VanDerWaalsContact CE-CE1 3.4Å; K131-Y164 WeakPolarHBondContact CE-OH 3.09Å; K131-Y164 HydrophobicContact CG-CD1 3.57Å; K131-Y164 HydrophobicContact CG-CD2 4.34Å; K131-Y164 HydrophobicContact CG-CE1 3.39Å; K131-Y164 HydrophobicContact CG-CE2 4.19Å; K131-Y164 HydrophobicContact CG-CG 4.04Å; Y164-D166 HydrophobicContact CD1-CB 4.44Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å
165K76.4Confident64.4Low165 Ų165104.2 Ų104.272%0.71754%0.54SS*.  trans-96.7110.8170.9-69.5-176.8-179177.90108P163 T167P163-K165 PolarHBondContact O-N 3.29Å; P163-K165 VanDerWaalsContact O-N 3.16Å; K165-T167 PolarHBondContact O-N 3.37Å
166D62.7Low62.1Low94 Ų94103.8 Ų103.850%0.50353%0.533SS..  trans-65.2103.6172.1-158.8-12000108.5Y164 F168Y164-D166 HydrophobicContact CD1-CB 4.44Å; Y164-D166 HydrophobicContact CE1-CB 3.82Å; D166-F168 VanDerWaalsContact C-N 3.26Å; D166-F168 VanDerWaalsContact OD1-CB 3.31Å; D166-F168 WeakPolarHBondContact OD1-CB 3.24Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.41Å; D166-F168 PolarHBondContact OD1-N 3.22Å; D166-F168 VanDerWaalsContact OD1-N 3.1Å
167T53.2Low59.7Low70 Ų70102.5 Ų102.543%0.42951%0.512SS..  trans-89.64177.444.60000111.5K165 W169K165-T167 PolarHBondContact O-N 3.37Å; T167-W169 VanDerWaalsContact C-N 3.33Å; T167-W169 PolarHBondContact O-N 3.04Å
168F43.4Very low57.6Low79 Ų79106.7 Ų106.735%0.34653%0.527SS..  trans-78.980.5170.7-70.4-78000111.2D166 K170 R178D166-F168 VanDerWaalsContact C-N 3.26Å; D166-F168 VanDerWaalsContact OD1-CB 3.31Å; D166-F168 WeakPolarHBondContact OD1-CB 3.24Å; D166-F168 WeakPolarHBondContact OD1-CD2 3.41Å; D166-F168 PolarHBondContact OD1-N 3.22Å; D166-F168 VanDerWaalsContact OD1-N 3.1Å; F168-K170 PolarHBondContact O-N 2.94Å; F168-R178 VanDerWaalsContact CE1-CZ 3.4Å
169W31Very low55.5Low203 Ų203105 Ų10577%0.76952%0.518SS*.  trans-67.3113162.5-9580.8000109.8T167 G171 T172T167-W169 VanDerWaalsContact C-N 3.33Å; T167-W169 PolarHBondContact O-N 3.04Å; W169-G171 VanDerWaalsContact C-N 3.3Å; W169-G171 PolarHBondContact O-N 3.3Å; W169-T172 PolarHBondContact O-N 3.12Å
170K33Very low53.5Low215 Ų215102.6 Ų102.694%0.93551%0.506SS*.THydrogen-bonded Turntrans-55.290.1164.9-70.6178.7177.4177.70109.1F168F168-K170 PolarHBondContact O-N 2.94Å
171G31.4Very low51.7Low79 Ų7998.1 Ų98.181%0.81448%0.483SS*.THydrogen-bonded Turntrans141.4-15.1174.400000116.1W169W169-G171 VanDerWaalsContact C-N 3.3Å; W169-G171 PolarHBondContact O-N 3.3Å
172T33.4Very low49.8Very low95 Ų9592.3 Ų92.358%0.58346%0.462SS*.  trans-133.2110177.142.70000110W169 R174W169-T172 PolarHBondContact O-N 3.12Å; T172-R174 PolarHBondContact O-N 3.38Å
173T28.9Very low48.2Very low88 Ų8889.4 Ų89.454%0.5445%0.447SS..  trans-58.285.1163.242.70000108.8T175 R211T173-T175 PolarHBondContact O-N 2.97Å; T173-R211 PolarHBondContact OG1-NH2 2.72Å
174R32Very low46.4Very low214 Ų21493.4 Ų93.481%0.80846%0.455SS*.  trans-65.3100.8147.2-79.1-170.991.3145.92.5104.4T172 R176T172-R174 PolarHBondContact O-N 3.38Å; R174-R176 PolarHBondContact O-N 2.68Å
175T34.7Very low44.7Very low79 Ų7994.8 Ų94.849%0.48546%0.463SS..  trans-58.481.8170.948.40000107.9T173T173-T175 PolarHBondContact O-N 2.97Å
176R42.4Very low43.5Very low81 Ų8193.1 Ų93.131%0.30647%0.473SS..  trans-66.6139.8144.3-68.9-172.9179.8-155.61.1105.4V96 R174 R178V96-R176 PolarHBondContact O-NH1 3.38Å; R174-R176 PolarHBondContact O-N 2.68Å; R176-R178 PolarHBondContact O-N 2.96Å
177P41.1Very low43.6Very low42 Ų4291 Ų9127%0.27347%0.473SS..  trans-67.679.1-17727.1-34000110.1N179 E329P177-N179 PolarHBondContact O-N 3.19Å; P177-E329 WeakPolarHBondContact CB-OE1 3.46Å; P177-E329 WeakPolarHBondContact CG-OE1 3.4Å
178R46.5Very low44.8Very low117 Ų11788.1 Ų88.144%0.44246%0.455SS..  trans-76.8-4-175.9-90.5-173.3167.3-169.5-9.2113.9D67 F168 R176D67-R178 IonicContact OD1-CZ 3.46Å; D67-R178 IonicContact OD1-NE 3.73Å; D67-R178 PolarHBondContact OD1-NE 2.82Å; D67-R178 IonicContact OD1-NH2 2.84Å; D67-R178 IonicContact OD2-CZ 3.13Å; D67-R178 IonicContact OD2-NE 3.76Å; D67-R178 IonicContact OD2-NH2 3.83Å; D67-R178 PolarHBondContact OD2-NH2 2.77Å; F168-R178 VanDerWaalsContact CE1-CZ 3.4Å; R176-R178 PolarHBondContact O-N 2.96Å
179N45Very low46.5Very low69 Ų6988 Ų8837%0.36946%0.458SS..SBendtrans-162.2130.8165.8-98.1-32.9000110.7P177 T181P177-N179 PolarHBondContact O-N 3.19Å; N179-T181 PolarHBondContact O-N 3.05Å; N179-T181 VanDerWaalsContact O-N 3.07Å
180G43.6Very low49.1Very low4 Ų480.4 Ų80.44%0.04143%0.43CS..  trans-58.9105.7151.100000109.1Q29Q29-G180 PolarHBondContact NE2-O 3.17Å
181T54.2Low51.6Low23 Ų2378.7 Ų78.714%0.14142%0.423CS..  86.4132.8129.2110000120.5D26 Q29 N179 N183 H270D26-T181 WeakPolarHBondContact OD2-CB 3.42Å; D26-T181 WeakPolarHBondContact OD2-CG2 3.31Å; D26-T181 PolarHBondContact OD2-OG1 3.35Å; Q29-T181 PolarHBondContact OE1-O 3.25Å; N179-T181 PolarHBondContact O-N 3.05Å; N179-T181 VanDerWaalsContact O-N 3.07Å; T181-N183 WeakPolarHBondContact CB-ND2 3.32Å; T181-N183 WeakPolarHBondContact CB-OD1 3.48Å; T181-N183 WeakPolarHBondContact CG2-ND2 3.26Å; T181-N183 WeakPolarHBondContact CG2-OD1 3.35Å; T181-N183 PolarHBondContact O-N 3.16Å; T181-H270 WeakPolarHBondContact CG2-CE1 3.08Å; T181-H270 WeakPolarHBondContact CG2-NE2 3.48Å
182L50.4Low54.3Low6 Ų679.7 Ų79.73%0.03141%0.406CS..  trans-95.557.5-177.2-89.7164.5000110.3W212 Q213 N215 I217 L254L182-W212 HydrophobicContact CB-CE3 4Å; L182-W212 HydrophobicContact CB-CH2 4.31Å; L182-W212 HydrophobicContact CB-CZ3 3.53Å; L182-W212 HydrophobicContact CD1-CD2 4.3Å; L182-W212 HydrophobicContact CD1-CE3 3.47Å; L182-W212 VanDerWaalsContact CD1-CE3 3.47Å; L182-W212 HydrophobicContact CD1-CZ3 3.94Å; L182-W212 HydrophobicContact CD2-CD2 3.9Å; L182-W212 HydrophobicContact CD2-CE3 3.46Å; L182-W212 VanDerWaalsContact CD2-CE3 3.46Å; L182-W212 HydrophobicContact CD2-CH2 3.81Å; L182-W212 HydrophobicContact CD2-CZ2 4.27Å; L182-W212 HydrophobicContact CD2-CZ3 3.44Å; L182-W212 VanDerWaalsContact CD2-CZ3 3.44Å; L182-W212 HydrophobicContact CG-CE3 3.82Å; L182-W212 HydrophobicContact CG-CZ3 3.82Å; L182-Q213 HydrophobicContact CD2-CB 3.66Å; L182-Q213 HydrophobicContact CD2-CG 3.96Å; L182-Q213 VanDerWaalsContact CD2-OE1 3.23Å; L182-N215 HydrophobicContact CD1-CB 3.74Å; L182-N215 HydrophobicContact CG-CB 4.46Å; L182-I217 HydrophobicContact CD1-CG2 3.79Å; L182-L254 HydrophobicContact CB-CD1 3.91Å; L182-L254 HydrophobicContact CB-CD2 3.8Å; L182-L254 HydrophobicContact CB-CG 4.32Å; L182-L254 HydrophobicContact CD1-CD1 3.9Å
183N56.1Low57Low16 Ų1675.8 Ų75.89%0.08638%0.382CS..  trans-107.3-9.8-155.7-68.61.3000117.2D26 T181 R243 F245 L254D26-N183 WeakPolarHBondContact CB-ND2 3.47Å; D26-N183 VanDerWaalsContact CG-ND2 3.31Å; D26-N183 PolarHBondContact OD2-ND2 3.12Å; T181-N183 WeakPolarHBondContact CB-ND2 3.32Å; T181-N183 WeakPolarHBondContact CB-OD1 3.48Å; T181-N183 WeakPolarHBondContact CG2-ND2 3.26Å; T181-N183 WeakPolarHBondContact CG2-OD1 3.35Å; T181-N183 PolarHBondContact O-N 3.16Å; N183-R243 PolarHBondContact O-NH2 3.11Å; N183-F245 HydrophobicContact CB-CD1 4.26Å; N183-F245 HydrophobicContact CB-CE1 4Å; N183-F245 HydrophobicContact CB-CE2 4.32Å; N183-F245 HydrophobicContact CB-CZ 4.03Å; N183-F245 WeakPolarHBondContact ND2-CD1 3.41Å; N183-F245 WeakPolarHBondContact ND2-CE1 3.39Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.26Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.35Å; N183-L254 VanDerWaalsContact OD1-CD2 3.23Å; N183-L254 WeakPolarHBondContact OD1-CD2 3.49Å
184K49Very low60Low171 Ų17176 Ų7674%0.74338%0.38SS*.  trans-98-8.2-170.1-70.4-174.5178.3177.10116.5S186K184-S186 PolarHBondContact O-N 3.29Å
185H50.2Low62.9Low80 Ų8068.4 Ų68.437%0.3735%0.353SS..  trans-85.8117.6-172.9-64.483.6000111.8G187 W212 Q213H185-G187 PolarHBondContact O-N 3.33Å; H185-W212 HydrophobicContact CB-CH2 4.08Å; H185-W212 HydrophobicContact CB-CZ2 4.25Å; H185-W212 AromaticContact ND1-CH2 3.9Å; H185-Q213 PolarHBondContact CE1-NE2 3.27Å; H185-Q213 PolarHBondContact NE2-NE2 2.85Å
186S52.2Low65.7Low131 Ų13168.2 Ų68.292%0.91635%0.349SS*.SBendtrans-73-13.6174.752.30000113.5K184K184-S186 PolarHBondContact O-N 3.29Å
187G64.3Low68.2Low50 Ų5068.4 Ų68.452%0.51536%0.359SS..  trans-148.5123.5173.100000110.6H185H185-G187 PolarHBondContact O-N 3.33Å
188I77.1Confident70.8Confident9 Ų970.4 Ų70.45%0.04636%0.363CS..  trans-96.5125.7170.6-61.9177.3000106.3L193 W212 C257 I268I188-L193 HydrophobicContact CG2-CD2 3.83Å; I188-L193 HydrophobicContact CG2-CG 4.27Å; I188-W212 HydrophobicContact CD1-CD2 4.34Å; I188-W212 HydrophobicContact CD1-CE3 3.87Å; I188-W212 HydrophobicContact CD1-CH2 3.53Å; I188-W212 HydrophobicContact CD1-CZ2 3.95Å; I188-W212 HydrophobicContact CD1-CZ3 3.41Å; I188-W212 VanDerWaalsContact CD1-CZ3 3.41Å; I188-W212 HydrophobicContact CG1-CH2 3.67Å; I188-W212 HydrophobicContact CG1-CZ2 3.69Å; I188-W212 HydrophobicContact CG1-CZ3 4.1Å; I188-W212 HydrophobicContact CG2-CD2 4.49Å; I188-W212 HydrophobicContact CG2-CZ2 4.4Å; I188-C257 HydrophobicContact CB-CB 4.48Å; I188-C257 WeakPolarHBondContact O-CB 3.48Å; I188-I268 HydrophobicContact CD1-CB 4.21Å; I188-I268 HydrophobicContact CD1-CD1 4Å; I188-I268 HydrophobicContact CD1-CG1 4.2Å; I188-I268 HydrophobicContact CG2-CD1 4.33Å
189D80.3Confident73Confident77 Ų7768.4 Ų68.441%0.41236%0.361SS..  trans-79.5129.8169.2-177.9-5.4000108.3K191 Q192D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact O-N 3.11Å; D189-K191 PolarHBondContact OD1-N 2.82Å; D189-Q192 HydrophobicContact CB-CG 4.07Å; D189-Q192 WeakPolarHBondContact O-CB 3.5Å; D189-Q192 PolarHBondContact O-N 3.2Å
190F85Confident75.2Confident42 Ų4269.3 Ų69.318%0.18437%0.366CS..G310 helixtrans-52.5-33.6177-174.3-91.6000112Q192 L193 F195 S259 P260 T266F190-Q192 PolarHBondContact O-N 3.47Å; F190-L193 HydrophobicContact CD2-CD1 4.19Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.93Å; F190-L193 VanDerWaalsContact O-N 3.09Å; F190-F195 HydrophobicContact CE1-CE2 4.15Å; F190-F195 AromaticContact CE2-CE2 3.83Å; F190-F195 HydrophobicContact CE2-CE2 3.83Å; F190-F195 AromaticContact CE2-CZ 3.55Å; F190-F195 HydrophobicContact CE2-CZ 3.55Å; F190-F195 AromaticContact CZ-CE2 3.54Å; F190-F195 HydrophobicContact CZ-CE2 3.54Å; F190-F195 AromaticContact CZ-CZ 3.52Å; F190-F195 HydrophobicContact CZ-CZ 3.52Å; F190-S259 WeakPolarHBondContact CE2-OG 3.42Å; F190-S259 WeakPolarHBondContact CZ-OG 3.49Å; F190-P260 HydrophobicContact CD1-CG 4.33Å; F190-T266 HydrophobicContact CE2-CG2 4.4Å
191K86.6Confident77.5Confident179 Ų17973.6 Ų73.678%0.77839%0.385SS*.G310 helixtrans-65-20.2177.7-65.4178.6-179.5175.90114.1D189 L193D189-K191 PolarHBondContact O-N 3.3Å; D189-K191 VanDerWaalsContact O-N 3.11Å; D189-K191 PolarHBondContact OD1-N 2.82Å; K191-L193 VanDerWaalsContact C-N 3.27Å
192Q86.9Confident79.1Confident100 Ų10075.8 Ų75.847%0.46740%0.395SS..G310 helixtrans-80.6-11.5176.9-61.8174.98.100112.4D189 F190D189-Q192 HydrophobicContact CB-CG 4.07Å; D189-Q192 WeakPolarHBondContact O-CB 3.5Å; D189-Q192 PolarHBondContact O-N 3.2Å; F190-Q192 PolarHBondContact O-N 3.47Å
193L90Very high80.7Confident14 Ų1481 Ų817%0.07342%0.419CS..  trans-85.9121.6-179.6-55.4-179.9000109.8I188 F190 K191 F195 W212 I217 V219 T266 I268I188-L193 HydrophobicContact CG2-CD2 3.83Å; I188-L193 HydrophobicContact CG2-CG 4.27Å; F190-L193 HydrophobicContact CD2-CD1 4.19Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.93Å; F190-L193 VanDerWaalsContact O-N 3.09Å; K191-L193 VanDerWaalsContact C-N 3.27Å; L193-F195 HydrophobicContact CB-CD2 4.26Å; L193-F195 HydrophobicContact CB-CE2 3.79Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; L193-W212 HydrophobicContact CD2-CB 3.85Å; L193-W212 HydrophobicContact CD2-CG 3.83Å; L193-I217 HydrophobicContact CD2-CD1 3.81Å; L193-V219 HydrophobicContact CD1-CG1 4.18Å; L193-V219 HydrophobicContact CD1-CG2 4.36Å; L193-T266 HydrophobicContact CD1-CG2 4.49Å; L193-I268 HydrophobicContact CD1-CD1 4.14Å; L193-I268 HydrophobicContact CD1-CG1 4.02Å; L193-I268 HydrophobicContact CD2-CG1 4.03Å
194N92.8Very high82.1Confident93 Ų9382.1 Ų82.150%0.49743%0.428SS..EExtended strand (participates in β ladder)trans-95.4111.9171.7-175.75.1000109.5G210 R211N194-G210 CarbonylContact O-C 3.31Å; N194-G210 VanDerWaalsContact O-C 3.31Å; N194-G210 WeakPolarHBondContact O-CA 3.49Å; N194-R211 HydrophobicContact CB-CB 4.27Å; N194-R211 PolarHBondContact N-O 3.49Å; N194-R211 PolarHBondContact O-N 3.01Å
195F92.4Very high84Confident54 Ų5474.3 Ų74.324%0.23740%0.396CS..EExtended strand (participates in β ladder)trans-83.7124.7179.3-73.1-109.4000110F190 L193 W208 V219 V221F190-F195 HydrophobicContact CE1-CE2 4.15Å; F190-F195 AromaticContact CE2-CE2 3.83Å; F190-F195 HydrophobicContact CE2-CE2 3.83Å; F190-F195 AromaticContact CE2-CZ 3.55Å; F190-F195 HydrophobicContact CE2-CZ 3.55Å; F190-F195 AromaticContact CZ-CE2 3.54Å; F190-F195 HydrophobicContact CZ-CE2 3.54Å; F190-F195 AromaticContact CZ-CZ 3.52Å; F190-F195 HydrophobicContact CZ-CZ 3.52Å; L193-F195 HydrophobicContact CB-CD2 4.26Å; L193-F195 HydrophobicContact CB-CE2 3.79Å; L193-F195 HydrophobicContact CD1-CE2 4.41Å; F195-W208 HydrophobicContact CB-CE3 4.13Å; F195-W208 HydrophobicContact CB-CZ3 4.45Å; F195-W208 HydrophobicContact CD1-CB 3.62Å; F195-W208 AromaticContact CD1-CD2 3.55Å; F195-W208 HydrophobicContact CD1-CD2 3.55Å; F195-W208 AromaticContact CD1-CE3 3.83Å; F195-W208 HydrophobicContact CD1-CE3 3.83Å; F195-W208 AromaticContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CD1-CG 3.49Å; F195-W208 VanDerWaalsContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CE1-CB 3.95Å; F195-W208 AromaticContact CE1-CD1 3.9Å; F195-W208 HydrophobicContact CE1-CD2 4.18Å; F195-W208 AromaticContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CG-CE3 4.49Å; F195-V219 HydrophobicContact CE1-CB 3.93Å; F195-V219 HydrophobicContact CE1-CG1 3.67Å; F195-V219 HydrophobicContact CE1-CG2 4.43Å; F195-V219 HydrophobicContact CZ-CB 4.17Å; F195-V219 HydrophobicContact CZ-CG1 3.54Å; F195-V219 HydrophobicContact CZ-CG2 4.43Å; F195-V221 HydrophobicContact CE1-CG2 4.24Å; F195-V221 HydrophobicContact CZ-CG2 4.43Å
196L93.8Very high86.1Confident75 Ų7572.3 Ų72.339%0.39339%0.387SS..EExtended strand (participates in β ladder)trans-101.9-57.2-176.7-61.5-179.4000112.2K209 R211L196-K209 WeakPolarHBondContact CA-O 3.37Å; L196-K209 WeakPolarHBondContact CB-O 3.22Å; L196-K209 PolarHBondContact N-O 2.86Å; L196-R211 HydrophobicContact CD1-CG 3.9Å
197T95Very high88.1Confident85 Ų8568.7 Ų68.752%0.52136%0.357SS..EExtended strand (participates in β ladder)trans-144.4131.4-173-520000110.3L199 W208 K209T197-L199 PolarHBondContact O-N 3.22Å; T197-W208 CarbonylContact O-C 3.6Å; T197-W208 WeakPolarHBondContact O-CA 3.26Å; T197-K209 PolarHBondContact N-O 3.04Å; T197-K209 VanDerWaalsContact N-O 3.1Å; T197-K209 PolarHBondContact O-N 2.85Å
198K95.2Very high89.6Confident84 Ų8469 Ų6937%0.36534%0.343SS..EExtended strand (participates in β ladder)trans-73.8122.1172-173.9177.8-77.2-1690108.8E201 E206 W208K198-E201 HydrophobicContact CD-CB 4.21Å; K198-E201 IonicContact NZ-OE2 2.87Å; K198-E201 PolarHBondContact NZ-OE2 3.13Å; K198-E206 WeakPolarHBondContact CE-OE2 3.35Å; K198-E206 IonicContact NZ-OE2 3.61Å; K198-E206 PolarHBondContact NZ-OE2 3.15Å; K198-W208 HydrophobicContact CB-CD2 3.94Å; K198-W208 HydrophobicContact CB-CE3 3.77Å; K198-W208 HydrophobicContact CB-CH2 4.06Å; K198-W208 HydrophobicContact CB-CZ2 4.23Å; K198-W208 HydrophobicContact CB-CZ3 3.82Å; K198-W208 HydrophobicContact CD-CZ2 4.24Å; K198-W208 VanDerWaalsContact CE-CE2 3.47Å; K198-W208 HydrophobicContact CG-CD2 4.24Å; K198-W208 HydrophobicContact CG-CZ2 4.32Å
199L92.6Very high90.5Very high74 Ų7470.7 Ų70.739%0.38735%0.35SS..EExtended strand (participates in β ladder)trans-91.2-39.8-178.1-60.7170000111.6T197 L207 K209 W271T197-L199 PolarHBondContact O-N 3.22Å; L199-L207 HydrophobicContact CB-CB 4.4Å; L199-L207 HydrophobicContact CB-CD2 4.29Å; L199-L207 HydrophobicContact CB-CG 4.38Å; L199-L207 WeakPolarHBondContact CB-O 3.45Å; L199-L207 HydrophobicContact CD1-CD2 4.23Å; L199-L207 HydrophobicContact CD1-CG 4.21Å; L199-L207 PolarHBondContact N-O 3.11Å; L199-K209 HydrophobicContact CD1-CB 4.12Å; L199-K209 HydrophobicContact CD2-CB 4.12Å; L199-K209 HydrophobicContact CG-CB 4.17Å; L199-W271 HydrophobicContact CD1-CZ3 3.7Å; L199-W271 HydrophobicContact CD2-CH2 4.26Å; L199-W271 HydrophobicContact CD2-CZ3 4.12Å
200N91.4Very high91.2Very high88 Ų8867 Ų6747%0.47133%0.33SS..EExtended strand (participates in β ladder)trans-157.2152.9-178.3-162.9-22.6000110.2E206 L207N200-E206 WeakPolarHBondContact O-CA 3.45Å; N200-L207 HydrophobicContact CB-CB 4.1Å; N200-L207 PolarHBondContact N-O 2.86Å; N200-L207 PolarHBondContact O-N 2.98Å
201E92.3Very high91.6Very high94 Ų9468.8 Ų68.844%0.43934%0.336SS..EExtended strand (participates in β ladder)trans-144.1131.3170.2173.7166.6-170.200109.9K198 E206 K223K198-E201 HydrophobicContact CD-CB 4.21Å; K198-E201 IonicContact NZ-OE2 2.87Å; K198-E201 PolarHBondContact NZ-OE2 3.13Å; E201-E206 HydrophobicContact CB-CG 4.21Å; E201-E206 HydrophobicContact CG-CG 3.89Å; E201-K223 IonicContact OE1-NZ 3.3Å; E201-K223 PolarHBondContact OE1-NZ 3Å
202N86.7Confident91.6Very high69 Ų6960.4 Ų60.437%0.36930%0.299SS..EExtended strand (participates in β ladder)trans-146.4-174.9175.763.736000110.8S204 G205N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact O-N 3.12Å; N202-S204 WeakPolarHBondContact OD1-CA 3.45Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 2.87Å; N202-S204 PolarHBondContact OD1-OG 3.13Å; N202-G205 PolarHBondContact N-O 2.9Å; N202-G205 PolarHBondContact O-N 2.91Å; N202-G205 VanDerWaalsContact O-O 3.1Å; N202-G205 PolarHBondContact OD1-N 2.78Å
203H84.6Confident91.4Very high116 Ų11660.5 Ų60.554%0.53730%0.3SS..THydrogen-bonded Turntrans-63.3-17.7-179.663.7-83.6000114.2Y351H203-Y351 AromaticContact CE1-CE1 3.65Å; H203-Y351 AromaticContact CE1-CZ 3.91Å; H203-Y351 AromaticContact NE2-CE1 3.47Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.25Å; H203-Y351 AromaticContact NE2-CZ 3.24Å; H203-Y351 PolarHBondContact NE2-OH 3.19Å
204S84.8Confident90.8Very high39 Ų3962.8 Ų62.827%0.27333%0.327SS..THydrogen-bonded Turntrans-93.3-16-179.674.20000113.5N202 K223N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact O-N 3.12Å; N202-S204 WeakPolarHBondContact OD1-CA 3.45Å; N202-S204 WeakPolarHBondContact OD1-CB 3.47Å; N202-S204 PolarHBondContact OD1-N 2.87Å; N202-S204 PolarHBondContact OD1-OG 3.13Å; S204-K223 PolarHBondContact O-N 2.89Å
205G90Very high90.3Very high7 Ų761 Ų617%0.07232%0.317CS..EExtended strand (participates in β ladder)trans157.7-169.8-176.600000114.6N202 V221N202-G205 PolarHBondContact N-O 2.9Å; N202-G205 PolarHBondContact O-N 2.91Å; N202-G205 VanDerWaalsContact O-O 3.1Å; N202-G205 PolarHBondContact OD1-N 2.78Å; G205-V221 CarbonylContact C-O 3.57Å; G205-V221 WeakPolarHBondContact CA-O 3.49Å
206E93.9Very high90.2Very high38 Ų3859.4 Ų59.418%0.17831%0.311CS..EExtended strand (participates in β ladder)trans-123.4142.7176-61.2175.3-159.500109.4K198 N200 E201 W208 K220 V221 K223K198-E206 WeakPolarHBondContact CE-OE2 3.35Å; K198-E206 IonicContact NZ-OE2 3.61Å; K198-E206 PolarHBondContact NZ-OE2 3.15Å; N200-E206 WeakPolarHBondContact O-CA 3.45Å; E201-E206 HydrophobicContact CB-CG 4.21Å; E201-E206 HydrophobicContact CG-CG 3.89Å; E206-W208 PolarHBondContact OE2-NE1 3.26Å; E206-K220 CarbonylContact O-C 3.58Å; E206-K220 WeakPolarHBondContact O-CA 3.47Å; E206-V221 HydrophobicContact CB-CB 4.43Å; E206-V221 PolarHBondContact N-O 3.28Å; E206-V221 PolarHBondContact O-N 3.31Å; E206-K223 VanDerWaalsContact OE1-CE 3.23Å; E206-K223 WeakPolarHBondContact OE1-CE 3.37Å; E206-K223 IonicContact OE1-NZ 3.53Å; E206-K223 PolarHBondContact OE1-NZ 3.27Å
207L94.8Very high90.2Very high55 Ų5555.9 Ų55.929%0.28829%0.293SS..EExtended strand (participates in β ladder)trans-117.6128.4175.6-164.771.6000108.4L199 N200 V218 K220L199-L207 HydrophobicContact CB-CB 4.4Å; L199-L207 HydrophobicContact CB-CD2 4.29Å; L199-L207 HydrophobicContact CB-CG 4.38Å; L199-L207 WeakPolarHBondContact CB-O 3.45Å; L199-L207 HydrophobicContact CD1-CD2 4.23Å; L199-L207 HydrophobicContact CD1-CG 4.21Å; L199-L207 PolarHBondContact N-O 3.11Å; N200-L207 HydrophobicContact CB-CB 4.1Å; N200-L207 PolarHBondContact N-O 2.86Å; N200-L207 PolarHBondContact O-N 2.98Å; L207-V218 HydrophobicContact CD1-CG1 3.34Å; L207-V218 HydrophobicContact CD2-CG1 4.43Å; L207-V218 HydrophobicContact CG-CG1 3.86Å; L207-K220 HydrophobicContact CD1-CB 3.73Å; L207-K220 HydrophobicContact CD1-CD 4.34Å; L207-K220 HydrophobicContact CD1-CG 3.94Å
208W96Very high90.2Very high57 Ų5752.5 Ų52.522%0.21627%0.272CS..EExtended strand (participates in β ladder)trans-129.1141.9-176-66.881.4000110.6F195 T197 K198 E206 V218 V219F195-W208 HydrophobicContact CB-CE3 4.13Å; F195-W208 HydrophobicContact CB-CZ3 4.45Å; F195-W208 HydrophobicContact CD1-CB 3.62Å; F195-W208 AromaticContact CD1-CD2 3.55Å; F195-W208 HydrophobicContact CD1-CD2 3.55Å; F195-W208 AromaticContact CD1-CE3 3.83Å; F195-W208 HydrophobicContact CD1-CE3 3.83Å; F195-W208 AromaticContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CD1-CG 3.49Å; F195-W208 VanDerWaalsContact CD1-CG 3.49Å; F195-W208 HydrophobicContact CE1-CB 3.95Å; F195-W208 AromaticContact CE1-CD1 3.9Å; F195-W208 HydrophobicContact CE1-CD2 4.18Å; F195-W208 AromaticContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CE1-CG 3.77Å; F195-W208 HydrophobicContact CG-CE3 4.49Å; T197-W208 CarbonylContact O-C 3.6Å; T197-W208 WeakPolarHBondContact O-CA 3.26Å; K198-W208 HydrophobicContact CB-CD2 3.94Å; K198-W208 HydrophobicContact CB-CE3 3.77Å; K198-W208 HydrophobicContact CB-CH2 4.06Å; K198-W208 HydrophobicContact CB-CZ2 4.23Å; K198-W208 HydrophobicContact CB-CZ3 3.82Å; K198-W208 HydrophobicContact CD-CZ2 4.24Å; K198-W208 VanDerWaalsContact CE-CE2 3.47Å; K198-W208 HydrophobicContact CG-CD2 4.24Å; K198-W208 HydrophobicContact CG-CZ2 4.32Å; E206-W208 PolarHBondContact OE2-NE1 3.26Å; W208-V218 CarbonylContact O-C 3.56Å; W208-V218 WeakPolarHBondContact O-CA 3.45Å; W208-V219 HydrophobicContact CB-CB 4.29Å; W208-V219 PolarHBondContact N-O 3.47Å; W208-V219 PolarHBondContact O-N 2.71Å
209K95.9Very high90.2Very high44 Ų4448.5 Ų48.519%0.19125%0.254CS..EExtended strand (participates in β ladder)trans-79.8132.5157.4-175.9174.1-179176.20107.8L196 T197 L199 D216 W271L196-K209 WeakPolarHBondContact CA-O 3.37Å; L196-K209 WeakPolarHBondContact CB-O 3.22Å; L196-K209 PolarHBondContact N-O 2.86Å; T197-K209 PolarHBondContact N-O 3.04Å; T197-K209 VanDerWaalsContact N-O 3.1Å; T197-K209 PolarHBondContact O-N 2.85Å; L199-K209 HydrophobicContact CD1-CB 4.12Å; L199-K209 HydrophobicContact CD2-CB 4.12Å; L199-K209 HydrophobicContact CG-CB 4.17Å; K209-D216 WeakPolarHBondContact CE-OD2 3.42Å; K209-D216 IonicContact NZ-OD2 2.71Å; K209-D216 PolarHBondContact NZ-OD2 2.88Å; K209-W271 HydrophobicContact CB-CE3 4.33Å; K209-W271 HydrophobicContact CB-CZ3 4.21Å; K209-W271 HydrophobicContact CD-CD2 4.06Å; K209-W271 HydrophobicContact CD-CE3 3.99Å; K209-W271 HydrophobicContact CD-CH2 4.15Å; K209-W271 HydrophobicContact CD-CZ2 4.19Å; K209-W271 HydrophobicContact CD-CZ3 4.06Å; K209-W271 HydrophobicContact CG-CD2 4.33Å; K209-W271 HydrophobicContact CG-CE3 3.93Å; K209-W271 HydrophobicContact CG-CZ3 4.18Å
210G93.9Very high90.2Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-142.7-173.1177.900000112.6N194 D216 I217N194-G210 CarbonylContact O-C 3.31Å; N194-G210 VanDerWaalsContact O-C 3.31Å; N194-G210 WeakPolarHBondContact O-CA 3.49Å; G210-D216 WeakPolarHBondContact O-CA 3.48Å; G210-I217 VanDerWaalsContact C-CG1 3.5Å; G210-I217 PolarHBondContact N-O 2.99Å; G210-I217 WeakPolarHBondContact O-CG1 3.28Å; G210-I217 PolarHBondContact O-N 3.5Å
211R93.4Very high90.3Very high79 Ų7943.3 Ų43.330%0.29823%0.225SC..EExtended strand (participates in β ladder)trans-130.8141170.8-81.7178.6178.7-166.10.5111T173 N194 L196 N215 D216T173-R211 PolarHBondContact OG1-NH2 2.72Å; N194-R211 HydrophobicContact CB-CB 4.27Å; N194-R211 PolarHBondContact N-O 3.49Å; N194-R211 PolarHBondContact O-N 3.01Å; L196-R211 HydrophobicContact CD1-CG 3.9Å; R211-N215 VanDerWaalsContact CA-O 3.23Å; R211-N215 WeakPolarHBondContact CA-O 3.46Å; R211-D216 WeakPolarHBondContact CG-OD1 3.49Å; R211-D216 IonicContact CZ-OD1 3.52Å; R211-D216 IonicContact NE-OD1 2.87Å; R211-D216 PolarHBondContact NE-OD1 3.49Å; R211-D216 IonicContact NH2-OD1 2.92Å; R211-D216 PolarHBondContact NH2-OD1 3.43Å
212W87.9Confident90.3Very high3 Ų339 Ų391%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-143.9130.2170.9179.555.4000109.6L182 H185 I188 L193 G214 N215 I217 I268L182-W212 HydrophobicContact CB-CE3 4Å; L182-W212 HydrophobicContact CB-CH2 4.31Å; L182-W212 HydrophobicContact CB-CZ3 3.53Å; L182-W212 HydrophobicContact CD1-CD2 4.3Å; L182-W212 HydrophobicContact CD1-CE3 3.47Å; L182-W212 VanDerWaalsContact CD1-CE3 3.47Å; L182-W212 HydrophobicContact CD1-CZ3 3.94Å; L182-W212 HydrophobicContact CD2-CD2 3.9Å; L182-W212 HydrophobicContact CD2-CE3 3.46Å; L182-W212 VanDerWaalsContact CD2-CE3 3.46Å; L182-W212 HydrophobicContact CD2-CH2 3.81Å; L182-W212 HydrophobicContact CD2-CZ2 4.27Å; L182-W212 HydrophobicContact CD2-CZ3 3.44Å; L182-W212 VanDerWaalsContact CD2-CZ3 3.44Å; L182-W212 HydrophobicContact CG-CE3 3.82Å; L182-W212 HydrophobicContact CG-CZ3 3.82Å; H185-W212 HydrophobicContact CB-CH2 4.08Å; H185-W212 HydrophobicContact CB-CZ2 4.25Å; H185-W212 AromaticContact ND1-CH2 3.9Å; I188-W212 HydrophobicContact CD1-CD2 4.34Å; I188-W212 HydrophobicContact CD1-CE3 3.87Å; I188-W212 HydrophobicContact CD1-CH2 3.53Å; I188-W212 HydrophobicContact CD1-CZ2 3.95Å; I188-W212 HydrophobicContact CD1-CZ3 3.41Å; I188-W212 VanDerWaalsContact CD1-CZ3 3.41Å; I188-W212 HydrophobicContact CG1-CH2 3.67Å; I188-W212 HydrophobicContact CG1-CZ2 3.69Å; I188-W212 HydrophobicContact CG1-CZ3 4.1Å; I188-W212 HydrophobicContact CG2-CD2 4.49Å; I188-W212 HydrophobicContact CG2-CZ2 4.4Å; L193-W212 HydrophobicContact CD2-CB 3.85Å; L193-W212 HydrophobicContact CD2-CG 3.83Å; W212-G214 PolarHBondContact O-N 3.41Å; W212-G214 VanDerWaalsContact O-N 3.14Å; W212-N215 PolarHBondContact N-O 3.06Å; W212-N215 PolarHBondContact O-N 3.31Å; W212-I217 HydrophobicContact CB-CD1 3.5Å; W212-I217 VanDerWaalsContact CB-CD1 3.5Å; W212-I217 HydrophobicContact CB-CG1 4.25Å; W212-I217 HydrophobicContact CB-CG2 4.42Å; W212-I268 HydrophobicContact CE3-CG2 4.37Å
213Q81.5Confident90.5Very high103 Ų10339.3 Ų39.348%0.48120%0.204SC..THydrogen-bonded Turntrans4741.2-174.4-55-175.1-9.400113.7L182 H185 N215L182-Q213 HydrophobicContact CD2-CB 3.66Å; L182-Q213 HydrophobicContact CD2-CG 3.96Å; L182-Q213 VanDerWaalsContact CD2-OE1 3.23Å; H185-Q213 PolarHBondContact CE1-NE2 3.27Å; H185-Q213 PolarHBondContact NE2-NE2 2.85Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.22Å; Q213-N215 PolarHBondContact O-ND2 2.85Å
214G78.5Confident90.6Very high62 Ų6234.6 Ų34.664%0.63918%0.183SC*.THydrogen-bonded Turntrans81.4-7.5178.900000115.8W212W212-G214 PolarHBondContact O-N 3.41Å; W212-G214 VanDerWaalsContact O-N 3.14Å
215N81.2Confident90.6Very high54 Ų5443 Ų4329%0.28921%0.209SC..EExtended strand (participates in β ladder)trans-97.7142.2179.5-59.3-68.7000111.5L182 R211 W212 Q213L182-N215 HydrophobicContact CD1-CB 3.74Å; L182-N215 HydrophobicContact CG-CB 4.46Å; R211-N215 VanDerWaalsContact CA-O 3.23Å; R211-N215 WeakPolarHBondContact CA-O 3.46Å; W212-N215 PolarHBondContact N-O 3.06Å; W212-N215 PolarHBondContact O-N 3.31Å; Q213-N215 VanDerWaalsContact C-N 3.28Å; Q213-N215 PolarHBondContact O-N 3.22Å; Q213-N215 PolarHBondContact O-ND2 2.85Å
216D91.2Very high90.4Very high21 Ų2149.2 Ų49.211%0.11224%0.24CC..EExtended strand (participates in β ladder)trans-70.1130.7170.6-80.85.2000109.4K209 G210 R211 W271K209-D216 WeakPolarHBondContact CE-OD2 3.42Å; K209-D216 IonicContact NZ-OD2 2.71Å; K209-D216 PolarHBondContact NZ-OD2 2.88Å; G210-D216 WeakPolarHBondContact O-CA 3.48Å; R211-D216 WeakPolarHBondContact CG-OD1 3.49Å; R211-D216 IonicContact CZ-OD1 3.52Å; R211-D216 IonicContact NE-OD1 2.87Å; R211-D216 PolarHBondContact NE-OD1 3.49Å; R211-D216 IonicContact NH2-OD1 2.92Å; R211-D216 PolarHBondContact NH2-OD1 3.43Å; D216-W271 HydrophobicContact CB-CB 3.72Å; D216-W271 HydrophobicContact CB-CG 4.04Å; D216-W271 WeakPolarHBondContact O-CB 3.46Å; D216-W271 PolarHBondContact O-N 2.87Å
217I93.2Very high90.1Very high1 Ų150 Ų501%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-132.9163.3-176.655.4161.7000111L182 L193 G210 W212 V219 L254 I268 T269L182-I217 HydrophobicContact CD1-CG2 3.79Å; L193-I217 HydrophobicContact CD2-CD1 3.81Å; G210-I217 VanDerWaalsContact C-CG1 3.5Å; G210-I217 PolarHBondContact N-O 2.99Å; G210-I217 WeakPolarHBondContact O-CG1 3.28Å; G210-I217 PolarHBondContact O-N 3.5Å; W212-I217 HydrophobicContact CB-CD1 3.5Å; W212-I217 VanDerWaalsContact CB-CD1 3.5Å; W212-I217 HydrophobicContact CB-CG1 4.25Å; W212-I217 HydrophobicContact CB-CG2 4.42Å; I217-V219 HydrophobicContact CD1-CG2 3.63Å; I217-V219 HydrophobicContact CG1-CG2 4.22Å; I217-L254 HydrophobicContact CG2-CD1 4.03Å; I217-I268 HydrophobicContact CB-CG2 4.07Å; I217-I268 HydrophobicContact CD1-CG2 3.63Å; I217-I268 HydrophobicContact CG1-CG2 4.46Å; I217-I268 HydrophobicContact CG2-CG2 4.12Å; I217-T269 CarbonylContact C-O 3.43Å; I217-T269 WeakPolarHBondContact CA-O 3.46Å; I217-T269 WeakPolarHBondContact CB-O 3.19Å
218V94.9Very high89.7Confident14 Ų1449.7 Ų49.79%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-103.9130163.7174.40000108.6L207 W208 I268 T269 W271L207-V218 HydrophobicContact CD1-CG1 3.34Å; L207-V218 HydrophobicContact CD2-CG1 4.43Å; L207-V218 HydrophobicContact CG-CG1 3.86Å; W208-V218 CarbonylContact O-C 3.56Å; W208-V218 WeakPolarHBondContact O-CA 3.45Å; V218-I268 WeakPolarHBondContact O-CA 3.42Å; V218-T269 HydrophobicContact CB-CG2 3.85Å; V218-T269 HydrophobicContact CG1-CG2 4.32Å; V218-T269 PolarHBondContact N-O 3.23Å; V218-T269 PolarHBondContact O-N 3.1Å; V218-W271 HydrophobicContact CG2-CE3 3.68Å; V218-W271 HydrophobicContact CG2-CZ3 4.25Å
219V94.9Very high89.3Confident0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-110.9115.1175.2-172.80000108.6L193 F195 W208 I217 V221 T266 L267L193-V219 HydrophobicContact CD1-CG1 4.18Å; L193-V219 HydrophobicContact CD1-CG2 4.36Å; F195-V219 HydrophobicContact CE1-CB 3.93Å; F195-V219 HydrophobicContact CE1-CG1 3.67Å; F195-V219 HydrophobicContact CE1-CG2 4.43Å; F195-V219 HydrophobicContact CZ-CB 4.17Å; F195-V219 HydrophobicContact CZ-CG1 3.54Å; F195-V219 HydrophobicContact CZ-CG2 4.43Å; W208-V219 HydrophobicContact CB-CB 4.29Å; W208-V219 PolarHBondContact N-O 3.47Å; W208-V219 PolarHBondContact O-N 2.71Å; I217-V219 HydrophobicContact CD1-CG2 3.63Å; I217-V219 HydrophobicContact CG1-CG2 4.22Å; V219-V221 HydrophobicContact CG1-CG2 4.16Å; V219-T266 HydrophobicContact CG1-CG2 3.25Å; V219-L267 WeakPolarHBondContact CA-O 3.46Å
220K94.3Very high89Confident41 Ų4159.4 Ų59.418%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-105.9101.9178.9-173.6175.3-176.2177.30109.1E206 L207 L222 T266 L267 A338 D339E206-K220 CarbonylContact O-C 3.58Å; E206-K220 WeakPolarHBondContact O-CA 3.47Å; L207-K220 HydrophobicContact CD1-CB 3.73Å; L207-K220 HydrophobicContact CD1-CD 4.34Å; L207-K220 HydrophobicContact CD1-CG 3.94Å; K220-L222 HydrophobicContact CD-CD2 4.29Å; K220-L222 HydrophobicContact CG-CD2 4Å; K220-T266 CarbonylContact O-C 3.56Å; K220-T266 WeakPolarHBondContact O-CA 3.37Å; K220-L267 HydrophobicContact CB-CB 4.31Å; K220-L267 PolarHBondContact N-O 3.47Å; K220-L267 PolarHBondContact O-N 3.43Å; K220-A338 PolarHBondContact NZ-O 2.71Å; K220-D339 IonicContact NZ-OD1 2.89Å; K220-D339 PolarHBondContact NZ-OD1 3.14Å
221V93.5Very high88.8Confident12 Ų1261.4 Ų61.47%0.07330%0.301CS..EExtended strand (participates in β ladder)trans-90116.2178.5-175.80000108.5F195 G205 E206 V219 H264 T266F195-V221 HydrophobicContact CE1-CG2 4.24Å; F195-V221 HydrophobicContact CZ-CG2 4.43Å; G205-V221 CarbonylContact C-O 3.57Å; G205-V221 WeakPolarHBondContact CA-O 3.49Å; E206-V221 HydrophobicContact CB-CB 4.43Å; E206-V221 PolarHBondContact N-O 3.28Å; E206-V221 PolarHBondContact O-N 3.31Å; V219-V221 HydrophobicContact CG1-CG2 4.16Å; V221-H264 HydrophobicContact CG1-CB 3.97Å; V221-T266 HydrophobicContact CG2-CG2 4.03Å
222L92.3Very high88.5Confident4 Ų458.7 Ų58.72%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-91.7125.3-173.4-56.7165.6000110.9K220 V224 H264 P265 L267 F342 Q345K220-L222 HydrophobicContact CD-CD2 4.29Å; K220-L222 HydrophobicContact CG-CD2 4Å; L222-V224 HydrophobicContact CB-CG2 4.24Å; L222-V224 PolarHBondContact O-N 2.9Å; L222-H264 WeakPolarHBondContact O-CB 3.23Å; L222-H264 PolarHBondContact O-ND1 3.36Å; L222-P265 HydrophobicContact CB-CG 3.99Å; L222-P265 VanDerWaalsContact CB-O 3.29Å; L222-P265 WeakPolarHBondContact CB-O 3.46Å; L222-P265 HydrophobicContact CD1-CB 4.16Å; L222-P265 HydrophobicContact CD1-CG 3.97Å; L222-P265 WeakPolarHBondContact CG-O 3.38Å; L222-P265 PolarHBondContact N-O 3.3Å; L222-L267 HydrophobicContact CD1-CD1 4.46Å; L222-L267 HydrophobicContact CD1-CG 4.4Å; L222-F342 HydrophobicContact CD1-CD2 4.17Å; L222-F342 HydrophobicContact CD1-CE2 4.04Å; L222-Q345 VanDerWaalsContact CD2-NE2 3.3Å
223K89.9Confident88.4Confident76 Ų7666 Ų6633%0.3332%0.322SS..  trans-83.9103.1173.6-76.1174.3-178.1175.60109.1E201 S204 E206E201-K223 IonicContact OE1-NZ 3.3Å; E201-K223 PolarHBondContact OE1-NZ 3Å; S204-K223 PolarHBondContact O-N 2.89Å; E206-K223 VanDerWaalsContact OE1-CE 3.23Å; E206-K223 WeakPolarHBondContact OE1-CE 3.37Å; E206-K223 IonicContact OE1-NZ 3.53Å; E206-K223 PolarHBondContact OE1-NZ 3.27Å
224V87.5Confident88.8Confident17 Ų1762.9 Ų62.910%0.10331%0.309CS..  trans-112.1120180-174.40000109.3L222 W227 K231 P265 F344L222-V224 HydrophobicContact CB-CG2 4.24Å; L222-V224 PolarHBondContact O-N 2.9Å; V224-W227 HydrophobicContact CB-CE3 3.91Å; V224-W227 HydrophobicContact CB-CZ3 4.35Å; V224-W227 HydrophobicContact CG1-CE3 3.83Å; V224-W227 HydrophobicContact CG1-CZ3 4.26Å; V224-W227 HydrophobicContact CG2-CE3 4.26Å; V224-W227 HydrophobicContact CG2-CZ3 4.21Å; V224-K231 HydrophobicContact CG1-CD 3.93Å; V224-P265 HydrophobicContact CG2-CG 3.87Å; V224-F344 HydrophobicContact CG1-CD2 3.89Å; V224-F344 HydrophobicContact CG1-CE2 4.26Å; V224-F344 HydrophobicContact CG2-CD2 4.14Å; V224-F344 HydrophobicContact CG2-CE2 3.77Å
225R84.8Confident89.3Confident215 Ų21560 Ų6081%0.81128%0.279SS*.SBendtrans-68.4143.8172.2-65.9-174.8179.9-173.3-2.4110.1W227 K231R225-W227 PolarHBondContact O-N 2.91Å; R225-K231 PolarHBondContact O-NZ 3.03Å
226D84.7Confident89.4Confident137 Ų13762 Ų6273%0.73329%0.289SS*.SBendtrans51.156.6175.4-44.7-47.7000112.7S228 K231D226-S228 PolarHBondContact O-N 3.42Å; D226-S228 VanDerWaalsContact O-N 3.1Å; D226-K231 WeakPolarHBondContact O-CD 3.36Å; D226-K231 PolarHBondContact O-NZ 2.79Å
227W87.6Confident89.1Confident54 Ų5466.9 Ų66.921%0.20531%0.311CS..  trans-59.2115177.8-173.8-103.2000110.1V224 R225 K231 F235 P263 P265 F344V224-W227 HydrophobicContact CB-CE3 3.91Å; V224-W227 HydrophobicContact CB-CZ3 4.35Å; V224-W227 HydrophobicContact CG1-CE3 3.83Å; V224-W227 HydrophobicContact CG1-CZ3 4.26Å; V224-W227 HydrophobicContact CG2-CE3 4.26Å; V224-W227 HydrophobicContact CG2-CZ3 4.21Å; R225-W227 PolarHBondContact O-N 2.91Å; W227-K231 HydrophobicContact CE3-CB 4.01Å; W227-K231 HydrophobicContact CZ3-CB 3.95Å; W227-F235 HydrophobicContact CH2-CB 3.99Å; W227-F235 HydrophobicContact CH2-CG 4.29Å; W227-P263 VanDerWaalsContact CD1-CG 3.48Å; W227-P263 HydrophobicContact CG-CG 4.29Å; W227-P265 HydrophobicContact CE3-CG 4.23Å; W227-P265 HydrophobicContact CH2-CB 3.81Å; W227-P265 HydrophobicContact CH2-CG 3.51Å; W227-P265 HydrophobicContact CZ2-CB 4.49Å; W227-P265 HydrophobicContact CZ2-CG 4.4Å; W227-P265 HydrophobicContact CZ3-CB 4.25Å; W227-P265 HydrophobicContact CZ3-CG 3.42Å; W227-P265 VanDerWaalsContact CZ3-CG 3.42Å; W227-F344 HydrophobicContact CH2-CZ 4.3Å; W227-F344 HydrophobicContact CZ3-CE2 4.01Å; W227-F344 AromaticContact CZ3-CZ 3.93Å; W227-F344 HydrophobicContact CZ3-CZ 3.93Å
228S87.7Confident89Confident50 Ų5068.5 Ų68.535%0.3532%0.319SS..  trans-119.5160.1-174.971.30000110.8D226 R230 K231 S232D226-S228 PolarHBondContact O-N 3.42Å; D226-S228 VanDerWaalsContact O-N 3.1Å; S228-R230 PolarHBondContact O-N 3.24Å; S228-R230 VanDerWaalsContact O-N 3.14Å; S228-K231 PolarHBondContact O-N 2.89Å; S228-K231 PolarHBondContact OG-N 2.89Å; S228-S232 PolarHBondContact O-N 3.31Å
229T86.7Confident88.6Confident115 Ų11568.1 Ų68.171%0.70632%0.317SS*.Hα-helixtrans-54.4-33.3174.6-47.20000112.1R233T229-R233 PolarHBondContact O-N 2.7Å
230R89.8Confident88.1Confident190 Ų19071.3 Ų71.372%0.71734%0.338SS*.Hα-helixtrans-64.2-51.7173.9-175.4176.6179.1175.62.1111.5S228 S232 R233 D234S228-R230 PolarHBondContact O-N 3.24Å; S228-R230 VanDerWaalsContact O-N 3.14Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.82Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 3.33Å; R230-D234 PolarHBondContact O-N 3.29Å
231K90.3Very high87.8Confident42 Ų4274 Ų7418%0.18335%0.347CS..Hα-helixtrans-60.4-36.9177.4-68.2175.2179.7159.80112.2V224 R225 D226 W227 S228 F235 F344V224-K231 HydrophobicContact CG1-CD 3.93Å; R225-K231 PolarHBondContact O-NZ 3.03Å; D226-K231 WeakPolarHBondContact O-CD 3.36Å; D226-K231 PolarHBondContact O-NZ 2.79Å; W227-K231 HydrophobicContact CE3-CB 4.01Å; W227-K231 HydrophobicContact CZ3-CB 3.95Å; S228-K231 PolarHBondContact O-N 2.89Å; S228-K231 PolarHBondContact OG-N 2.89Å; K231-F235 VanDerWaalsContact O-CB 3.32Å; K231-F235 WeakPolarHBondContact O-CB 3.14Å; K231-F235 PolarHBondContact O-N 3.39Å; K231-F344 HydrophobicContact CB-CD1 4.08Å; K231-F344 HydrophobicContact CB-CG 4.23Å; K231-F344 HydrophobicContact CD-CB 4.16Å; K231-F344 HydrophobicContact CD-CG 4.42Å; K231-F344 HydrophobicContact CG-CB 3.85Å; K231-F344 HydrophobicContact CG-CD1 4.26Å; K231-F344 HydrophobicContact CG-CG 4.04Å; K231-F344 WeakPolarHBondContact O-CE1 3.31Å
232S86.1Confident87.6Confident22 Ų2273.9 Ų73.915%0.15435%0.345CS..Hα-helixtrans-65.3-38.3174.2-1730000112.6S228 R230 N236 Q258S228-S232 PolarHBondContact O-N 3.31Å; R230-S232 VanDerWaalsContact C-N 3.27Å; R230-S232 PolarHBondContact O-N 2.82Å; S232-N236 WeakPolarHBondContact O-CB 3.3Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.23Å; S232-Q258 PolarHBondContact OG-NE2 3.41Å
233R85.7Confident87.5Confident156 Ų15676 Ų7659%0.58935%0.353SS*.Hα-helixtrans-66.3-50175-172.5-174-52.8-161.50.7110.7T229 R230 F235 N236 E237T229-R233 PolarHBondContact O-N 2.7Å; R230-R233 WeakPolarHBondContact O-CB 3.42Å; R230-R233 PolarHBondContact O-N 3.33Å; R233-F235 VanDerWaalsContact C-N 3.25Å; R233-F235 PolarHBondContact O-N 2.81Å; R233-N236 PolarHBondContact O-N 3.49Å; R233-N236 VanDerWaalsContact O-N 3.07Å; R233-E237 HydrophobicContact CG-CG 4.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.4Å; R233-E237 WeakPolarHBondContact O-CG 3.17Å; R233-E237 PolarHBondContact O-N 2.94Å
234D89.7Confident87.3Confident37 Ų3772.7 Ų72.720%0.19834%0.339CS..Hα-helixtrans-56.6-41.9177.7-58.5-18.5000110.7R230 E237 E238 F344R230-D234 PolarHBondContact O-N 3.29Å; D234-E237 PolarHBondContact O-N 3.22Å; D234-E238 VanDerWaalsContact O-CB 3.29Å; D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 VanDerWaalsContact O-CG 3.27Å; D234-E238 WeakPolarHBondContact O-CG 3.27Å; D234-E238 PolarHBondContact O-N 2.84Å; D234-F344 HydrophobicContact CB-CD1 4.16Å; D234-F344 HydrophobicContact CB-CE1 4.37Å
235F88.8Confident87.1Confident3 Ų372.3 Ų72.31%0.01334%0.336CS..Hα-helixtrans-61.7-46.3175.2180-106.5000112.7W227 K231 R233 E237 E238 C239 A256 P265 L267 F342 F344W227-F235 HydrophobicContact CH2-CB 3.99Å; W227-F235 HydrophobicContact CH2-CG 4.29Å; K231-F235 VanDerWaalsContact O-CB 3.32Å; K231-F235 WeakPolarHBondContact O-CB 3.14Å; K231-F235 PolarHBondContact O-N 3.39Å; R233-F235 VanDerWaalsContact C-N 3.25Å; R233-F235 PolarHBondContact O-N 2.81Å; F235-E237 VanDerWaalsContact C-N 3.31Å; F235-E237 PolarHBondContact O-N 2.6Å; F235-E238 PolarHBondContact O-N 3.12Å; F235-C239 HydrophobicContact CE2-CB 4.48Å; F235-C239 HydrophobicContact CZ-CB 4.49Å; F235-C239 WeakPolarHBondContact O-CB 3.39Å; F235-C239 PolarHBondContact O-N 3.19Å; F235-A256 HydrophobicContact CE1-CB 3.78Å; F235-A256 HydrophobicContact CZ-CB 3.56Å; F235-P265 HydrophobicContact CD1-CB 4.09Å; F235-P265 HydrophobicContact CD2-CB 3.74Å; F235-P265 HydrophobicContact CD2-CG 4.48Å; F235-P265 HydrophobicContact CE1-CB 3.85Å; F235-P265 HydrophobicContact CE2-CB 3.47Å; F235-P265 VanDerWaalsContact CE2-CB 3.47Å; F235-P265 HydrophobicContact CE2-CG 4.49Å; F235-P265 HydrophobicContact CG-CB 4.03Å; F235-P265 HydrophobicContact CZ-CB 3.51Å; F235-L267 HydrophobicContact CE2-CD2 3.93Å; F235-L267 HydrophobicContact CZ-CD2 3.99Å; F235-F342 AromaticContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD2 4.19Å; F235-F342 AromaticContact CD2-CE1 3.56Å; F235-F342 HydrophobicContact CD2-CE1 3.56Å; F235-F342 AromaticContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CG 4.2Å; F235-F342 AromaticContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CE2-CD2 4.35Å; F235-F342 AromaticContact CE2-CE1 3.89Å; F235-F342 HydrophobicContact CE2-CE1 3.89Å; F235-F342 AromaticContact CE2-CE2 3.64Å; F235-F342 HydrophobicContact CE2-CE2 3.64Å; F235-F342 AromaticContact CE2-CZ 3.39Å; F235-F342 HydrophobicContact CE2-CZ 3.39Å; F235-F344 HydrophobicContact CB-CE1 3.87Å; F235-F344 HydrophobicContact CB-CZ 4Å; F235-F344 HydrophobicContact CD2-CZ 4.07Å; F235-F344 HydrophobicContact CG-CZ 4.46Å
236N83.4Confident87Confident96 Ų9662.3 Ų62.351%0.51330%0.299SS..Hα-helixtrans-70.5-26.2-179.1-70.5-17.8000112.9S232 R233 P240S232-N236 WeakPolarHBondContact O-CB 3.3Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 VanDerWaalsContact O-N 3.09Å; S232-N236 PolarHBondContact O-ND2 3.23Å; R233-N236 PolarHBondContact O-N 3.49Å; R233-N236 VanDerWaalsContact O-N 3.07Å; N236-P240 WeakPolarHBondContact O-CD 3.26Å; N236-P240 WeakPolarHBondContact O-CG 3.25Å
237E85.5Confident87Confident123 Ų12357.3 Ų57.358%0.57527%0.271SS*.Hα-helixtrans-79.7-39.1173.7-72.1176.7-16800112.2R233 D234 F235R233-E237 HydrophobicContact CG-CG 4.47Å; R233-E237 VanDerWaalsContact CG-OE1 3.31Å; R233-E237 WeakPolarHBondContact CG-OE1 3.4Å; R233-E237 WeakPolarHBondContact O-CG 3.17Å; R233-E237 PolarHBondContact O-N 2.94Å; D234-E237 PolarHBondContact O-N 3.22Å; F235-E237 VanDerWaalsContact C-N 3.31Å; F235-E237 PolarHBondContact O-N 2.6Å
238E90.2Very high86.9Confident34 Ų3455.6 Ų55.616%0.15927%0.267CS..Hα-helixtrans-82-37.4-176.9-71.3-179.6-152.300113.2D234 F235 R241 R317 F342 S343D234-E238 VanDerWaalsContact O-CB 3.29Å; D234-E238 WeakPolarHBondContact O-CB 3.18Å; D234-E238 VanDerWaalsContact O-CG 3.27Å; D234-E238 WeakPolarHBondContact O-CG 3.27Å; D234-E238 PolarHBondContact O-N 2.84Å; F235-E238 PolarHBondContact O-N 3.12Å; E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 3.04Å; E238-R317 IonicContact OE1-NH2 3.88Å; E238-R317 PolarHBondContact OE1-NH2 2.73Å; E238-R317 VanDerWaalsContact OE1-NH2 3.09Å; E238-R317 IonicContact OE2-CZ 3.57Å; E238-R317 IonicContact OE2-NH2 2.66Å; E238-R317 PolarHBondContact OE2-NH2 3.14Å; E238-F342 HydrophobicContact CB-CD1 3.67Å; E238-F342 HydrophobicContact CB-CE1 3.82Å; E238-F342 HydrophobicContact CG-CD1 4.5Å; E238-F342 VanDerWaalsContact OE2-CA 3.28Å; E238-F342 WeakPolarHBondContact OE2-CA 3.38Å; E238-F342 WeakPolarHBondContact OE2-CD1 3.3Å; E238-S343 WeakPolarHBondContact OE1-CB 3.47Å; E238-S343 PolarHBondContact OE1-N 2.9Å; E238-S343 PolarHBondContact OE1-OG 2.8Å; E238-S343 PolarHBondContact OE2-N 2.92Å; E238-S343 VanDerWaalsContact OE2-N 3.12Å
239C87.3Confident87.2Confident7 Ų753.4 Ų53.45%0.04725%0.252CS..G310 helixtrans-61.7-41.3-172.6-173.80000114.2F235 R241 L242 A256 F342F235-C239 HydrophobicContact CE2-CB 4.48Å; F235-C239 HydrophobicContact CZ-CB 4.49Å; F235-C239 WeakPolarHBondContact O-CB 3.39Å; F235-C239 PolarHBondContact O-N 3.19Å; C239-R241 PolarHBondContact O-N 2.75Å; C239-L242 WeakPolarHBondContact O-CB 3.4Å; C239-L242 PolarHBondContact O-N 2.66Å; C239-A256 WeakPolarHBondContact SG-CB 3.49Å; C239-F342 HydrophobicContact CB-CE1 4.09Å; C239-F342 HydrophobicContact CB-CZ 4.25Å
240P84.4Confident87.5Confident67 Ų6748 Ų4844%0.43522%0.218SC..G310 helixtrans-56.8-33.2177.2-27.536.8000113.1N236 L242 R243N236-P240 WeakPolarHBondContact O-CD 3.26Å; N236-P240 WeakPolarHBondContact O-CG 3.25Å; P240-L242 PolarHBondContact O-N 2.78Å; P240-L242 VanDerWaalsContact O-N 3.14Å; P240-R243 WeakPolarHBondContact O-CB 3.36Å; P240-R243 PolarHBondContact O-N 3.42Å; P240-R243 VanDerWaalsContact O-N 3.12Å
241R87.4Confident87.6Confident98 Ų9839 Ų3937%0.3718%0.184SC..G310 helixtrans-66.3-14.7178.4-59.6179.260.8-166.3-6.7113.8E238 C239 I244 P313 L314E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 3.04Å; C239-R241 PolarHBondContact O-N 2.75Å; R241-I244 WeakPolarHBondContact O-CD1 3.39Å; R241-I244 WeakPolarHBondContact O-CG1 3.29Å; R241-P313 PolarHBondContact NH2-O 2.92Å; R241-L314 PolarHBondContact NH2-O 2.66Å
242L90.9Very high87.7Confident8 Ų837.2 Ų37.24%0.04218%0.177CC..G310 helixtrans-94.3-4.5179.4-55.4-179.4000112.7C239 P240 I244 V253 I315 M337 V340 F342C239-L242 WeakPolarHBondContact O-CB 3.4Å; C239-L242 PolarHBondContact O-N 2.66Å; P240-L242 PolarHBondContact O-N 2.78Å; P240-L242 VanDerWaalsContact O-N 3.14Å; L242-I244 PolarHBondContact O-N 3.38Å; L242-I244 VanDerWaalsContact O-N 3.12Å; L242-V253 HydrophobicContact CB-CB 4.14Å; L242-V253 HydrophobicContact CB-CG2 3.7Å; L242-V253 HydrophobicContact CD1-CG2 4.38Å; L242-V253 PolarHBondContact O-N 3.02Å; L242-I315 HydrophobicContact CD2-CG2 4.05Å; L242-M337 HydrophobicContact CB-CB 4.07Å; L242-M337 WeakPolarHBondContact O-CB 3.48Å; L242-V340 HydrophobicContact CD1-CB 4.33Å; L242-V340 HydrophobicContact CD2-CB 3.87Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.01Å; L242-F342 HydrophobicContact CD1-CE1 4.2Å; L242-F342 HydrophobicContact CD1-CZ 3.87Å
243R88.4Confident87.9Confident50 Ų5036.1 Ų36.119%0.18917%0.17CC..  trans-87.457.9179.6-54.7-173.969.9-139.6-2.4110.8N183 P240 F245 V253 L254N183-R243 PolarHBondContact O-NH2 3.11Å; P240-R243 WeakPolarHBondContact O-CB 3.36Å; P240-R243 PolarHBondContact O-N 3.42Å; P240-R243 VanDerWaalsContact O-N 3.12Å; R243-F245 HydrophobicContact CB-CE2 3.7Å; R243-F245 HydrophobicContact CB-CZ 4.13Å; R243-F245 WeakPolarHBondContact O-CD2 3.35Å; R243-F245 VanDerWaalsContact O-CE2 3.31Å; R243-F245 WeakPolarHBondContact O-CE2 3.42Å; R243-V253 HydrophobicContact CG-CB 4.5Å; R243-V253 WeakPolarHBondContact CG-O 3.4Å; R243-L254 PolarHBondContact NE-O 3.38Å; R243-L254 PolarHBondContact NH2-O 2.94Å
244I86.5Confident88Confident5 Ų528.8 Ų28.83%0.02614%0.142CC..  trans-95.8101.2-174.4-57.1162.3000110.3T23 R241 L242 V250 P252 F307 L308 L311 I315 M337T23-I244 HydrophobicContact CG2-CG2 4.45Å; R241-I244 WeakPolarHBondContact O-CD1 3.39Å; R241-I244 WeakPolarHBondContact O-CG1 3.29Å; L242-I244 PolarHBondContact O-N 3.38Å; L242-I244 VanDerWaalsContact O-N 3.12Å; I244-V250 HydrophobicContact CB-CG1 4.1Å; I244-V250 HydrophobicContact CG2-CG1 4.26Å; I244-P252 WeakPolarHBondContact O-CB 3.45Å; I244-F307 HydrophobicContact CG2-CE1 3.58Å; I244-F307 HydrophobicContact CG2-CZ 3.93Å; I244-L308 HydrophobicContact CD1-CD2 4.11Å; I244-L311 HydrophobicContact CD1-CD1 3.75Å; I244-I315 HydrophobicContact CD1-CD1 3.51Å; I244-M337 HydrophobicContact CD1-CG 4.47Å; I244-M337 HydrophobicContact CD1-SD 4.06Å
245F83.9Confident87.7Confident9 Ų927.2 Ų27.24%0.03913%0.134CC..  trans-100.3-14.6-175.5-56.8-80.5000113.8T23 E24 N25 D26 N183 R243 H247 P252 L254T23-F245 PolarHBondContact O-N 3.45Å; E24-F245 WeakPolarHBondContact O-CD2 3.23Å; N25-F245 CarbonylContact O-C 3.55Å; D26-F245 HydrophobicContact CB-CB 3.58Å; D26-F245 HydrophobicContact CB-CG 4.22Å; N183-F245 HydrophobicContact CB-CD1 4.26Å; N183-F245 HydrophobicContact CB-CE1 4Å; N183-F245 HydrophobicContact CB-CE2 4.32Å; N183-F245 HydrophobicContact CB-CZ 4.03Å; N183-F245 WeakPolarHBondContact ND2-CD1 3.41Å; N183-F245 WeakPolarHBondContact ND2-CE1 3.39Å; N183-F245 WeakPolarHBondContact OD1-CD1 3.26Å; N183-F245 WeakPolarHBondContact OD1-CE1 3.35Å; R243-F245 HydrophobicContact CB-CE2 3.7Å; R243-F245 HydrophobicContact CB-CZ 4.13Å; R243-F245 WeakPolarHBondContact O-CD2 3.35Å; R243-F245 VanDerWaalsContact O-CE2 3.31Å; R243-F245 WeakPolarHBondContact O-CE2 3.42Å; F245-H247 PolarHBondContact O-N 3.22Å; F245-H247 VanDerWaalsContact O-N 3.11Å; F245-P252 HydrophobicContact CD1-CB 3.58Å; F245-P252 HydrophobicContact CD1-CG 3.26Å; F245-P252 HydrophobicContact CE1-CB 3.44Å; F245-P252 VanDerWaalsContact CE1-CB 3.44Å; F245-P252 HydrophobicContact CE1-CG 3.4Å; F245-P252 VanDerWaalsContact CE1-CG 3.4Å; F245-P252 HydrophobicContact CG-CB 4.22Å; F245-P252 HydrophobicContact CG-CG 4.18Å; F245-P252 HydrophobicContact CZ-CB 4.03Å; F245-P252 HydrophobicContact CZ-CG 4.44Å; F245-L254 HydrophobicContact CE1-CD2 4.07Å
246S81.2Confident87.6Confident6 Ų628.2 Ų28.24%0.04214%0.143CC..SBendtrans-74.73.4-172.869.70000115.3T23 N25 F307T23-S246 WeakPolarHBondContact CA-OG 3.42Å; T23-S246 PolarHBondContact O-N 2.9Å; N25-S246 VanDerWaalsContact O-CA 3.3Å; N25-S246 WeakPolarHBondContact O-CA 3.41Å; N25-S246 PolarHBondContact O-N 3.23Å; S246-F307 VanDerWaalsContact OG-CZ 3.27Å; S246-F307 WeakPolarHBondContact OG-CZ 3.37Å
247H85.9Confident87.8Confident31 Ų3124.1 Ų24.114%0.14412%0.122CC..  trans-136.9131.2-177-165-81000112.7F245 N249 V250 F307F245-H247 PolarHBondContact O-N 3.22Å; F245-H247 VanDerWaalsContact O-N 3.11Å; H247-N249 PolarHBondContact CE1-OD1 2.75Å; H247-N249 PolarHBondContact ND1-N 3.25Å; H247-N249 VanDerWaalsContact ND1-N 3.17Å; H247-N249 PolarHBondContact O-N 3.17Å; H247-V250 HydrophobicContact CB-CB 4.2Å; H247-V250 HydrophobicContact CB-CG2 3.97Å; H247-V250 PolarHBondContact O-N 2.95Å; H247-F307 HydrophobicContact CB-CD1 3.53Å; H247-F307 HydrophobicContact CB-CD2 4.39Å; H247-F307 HydrophobicContact CB-CE1 3.57Å; H247-F307 HydrophobicContact CB-CE2 4.43Å; H247-F307 HydrophobicContact CB-CG 3.96Å; H247-F307 HydrophobicContact CB-CZ 4.05Å; H247-F307 WeakPolarHBondContact CD2-CB 3.2Å; H247-F307 AromaticContact CD2-CD1 3.78Å; H247-F307 AromaticContact CD2-CD2 3.77Å; H247-F307 AromaticContact CD2-CG 3.33Å; H247-F307 WeakPolarHBondContact CD2-CG 3.46Å; H247-F307 AromaticContact CG-CD1 3.61Å; H247-F307 AromaticContact CG-CG 3.69Å
248P85.6Confident87.6Confident18 Ų1822.2 Ų22.212%0.11711%0.113CC..THydrogen-bonded Turntrans-64.6-40.7-174.226.7-39.2000113.2R56 G57 V250 R334R56-P248 VanDerWaalsContact O-CD 3.23Å; R56-P248 WeakPolarHBondContact O-CD 3.47Å; G57-P248 VanDerWaalsContact CA-CG 3.42Å; P248-V250 PolarHBondContact O-N 3.1Å; P248-R334 WeakPolarHBondContact O-CG 3.47Å; P248-R334 PolarHBondContact O-NE 2.98Å; P248-R334 PolarHBondContact O-NH2 3.13Å
249N93.2Very high87Confident5 Ų521.2 Ų21.23%0.02711%0.11CC..THydrogen-bonded Turntrans-87.813.9-177.8-50.8107.2000112.8H247 D300 T332 A333 R334 I335H247-N249 PolarHBondContact CE1-OD1 2.75Å; H247-N249 PolarHBondContact ND1-N 3.25Å; H247-N249 VanDerWaalsContact ND1-N 3.17Å; H247-N249 PolarHBondContact O-N 3.17Å; N249-D300 WeakPolarHBondContact CB-O 3.44Å; N249-D300 WeakPolarHBondContact ND2-CA 3.23Å; N249-D300 WeakPolarHBondContact ND2-CB 3.06Å; N249-D300 VanDerWaalsContact ND2-CG 3.26Å; N249-D300 PolarHBondContact ND2-OD1 2.94Å; N249-T332 WeakPolarHBondContact ND2-CG2 3.46Å; N249-A333 PolarHBondContact ND2-O 2.96Å; N249-A333 VanDerWaalsContact ND2-O 3.1Å; N249-R334 CarbonylContact O-C 3.38Å; N249-R334 WeakPolarHBondContact O-CA 3.48Å; N249-I335 PolarHBondContact O-N 3.06Å
250V93Very high86.3Confident0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-112.8127.5169.3177.20000107.1I244 H247 P248 P252 F307 L308 M337I244-V250 HydrophobicContact CB-CG1 4.1Å; I244-V250 HydrophobicContact CG2-CG1 4.26Å; H247-V250 HydrophobicContact CB-CB 4.2Å; H247-V250 HydrophobicContact CB-CG2 3.97Å; H247-V250 PolarHBondContact O-N 2.95Å; P248-V250 PolarHBondContact O-N 3.1Å; V250-P252 WeakPolarHBondContact O-CD 3.37Å; V250-F307 HydrophobicContact CG2-CD1 3.97Å; V250-F307 HydrophobicContact CG2-CE1 4.3Å; V250-L308 HydrophobicContact CG1-CD2 4.46Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.94Å; V250-L308 HydrophobicContact CG2-CG 4.09Å; V250-M337 HydrophobicContact CG1-CE 4.07Å; V250-M337 HydrophobicContact CG1-CG 3.53Å; V250-M337 HydrophobicContact CG1-SD 3.97Å
251L93.4Very high85.4Confident1 Ų128.4 Ų28.41%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-94.5106.1173.5173.162.2000108.5H270 M272 M326 R334 I335 M337L251-H270 HydrophobicContact CD1-CB 4.07Å; L251-M272 HydrophobicContact CD1-CE 3.67Å; L251-M272 HydrophobicContact CD2-CE 4.33Å; L251-M272 HydrophobicContact CD2-CG 3.96Å; L251-M272 HydrophobicContact CD2-SD 4.41Å; L251-M326 HydrophobicContact CD2-CB 3.91Å; L251-M326 HydrophobicContact CD2-CG 3.61Å; L251-R334 HydrophobicContact CB-CB 3.84Å; L251-I335 PolarHBondContact N-O 3.43Å; L251-M337 WeakPolarHBondContact O-CB 3.46Å; L251-M337 WeakPolarHBondContact O-CG 3.38Å; L251-M337 PolarHBondContact O-N 3.47Å
252P91.2Very high84.6Confident5 Ų525.9 Ų25.93%0.03216%0.157CC..  trans-69.2157.4-177.521.1-30.4000113.2I244 F245 V250 T269I244-P252 WeakPolarHBondContact O-CB 3.45Å; F245-P252 HydrophobicContact CD1-CB 3.58Å; F245-P252 HydrophobicContact CD1-CG 3.26Å; F245-P252 HydrophobicContact CE1-CB 3.44Å; F245-P252 VanDerWaalsContact CE1-CB 3.44Å; F245-P252 HydrophobicContact CE1-CG 3.4Å; F245-P252 VanDerWaalsContact CE1-CG 3.4Å; F245-P252 HydrophobicContact CG-CB 4.22Å; F245-P252 HydrophobicContact CG-CG 4.18Å; F245-P252 HydrophobicContact CZ-CB 4.03Å; F245-P252 HydrophobicContact CZ-CG 4.44Å; V250-P252 WeakPolarHBondContact O-CD 3.37Å; P252-T269 PolarHBondContact O-OG1 2.65Å
253V90.2Very high83.8Confident0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-73.6122.2154.5175.80000107.7L242 R243 G255 L267 M337 A338L242-V253 HydrophobicContact CB-CB 4.14Å; L242-V253 HydrophobicContact CB-CG2 3.7Å; L242-V253 HydrophobicContact CD1-CG2 4.38Å; L242-V253 PolarHBondContact O-N 3.02Å; R243-V253 HydrophobicContact CG-CB 4.5Å; R243-V253 WeakPolarHBondContact CG-O 3.4Å; V253-G255 VanDerWaalsContact CG1-O 3.28Å; V253-G255 WeakPolarHBondContact CG1-O 3.39Å; V253-L267 HydrophobicContact CG1-CD2 4.06Å; V253-M337 HydrophobicContact CG2-CB 4.28Å; V253-A338 HydrophobicContact CG2-CB 4.2Å
254L87.3Confident83.6Confident1 Ų128.3 Ų28.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-67.2-45.6177.1-72.6175.6000110.8L182 N183 I217 R243 F245 I268 H270L182-L254 HydrophobicContact CB-CD1 3.91Å; L182-L254 HydrophobicContact CB-CD2 3.8Å; L182-L254 HydrophobicContact CB-CG 4.32Å; L182-L254 HydrophobicContact CD1-CD1 3.9Å; N183-L254 VanDerWaalsContact OD1-CD2 3.23Å; N183-L254 WeakPolarHBondContact OD1-CD2 3.49Å; I217-L254 HydrophobicContact CG2-CD1 4.03Å; R243-L254 PolarHBondContact NE-O 3.38Å; R243-L254 PolarHBondContact NH2-O 2.94Å; F245-L254 HydrophobicContact CE1-CD2 4.07Å; L254-I268 HydrophobicContact CB-CB 4.46Å; L254-I268 HydrophobicContact CB-CG2 4.16Å; L254-I268 WeakPolarHBondContact CB-O 3.47Å; L254-I268 HydrophobicContact CD1-CG2 4.12Å; L254-I268 PolarHBondContact N-O 2.92Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.32Å
255G84.7Confident83.8Confident4 Ų428 Ų284%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-175.3-174.7174.800000111.1V253 I268V253-G255 VanDerWaalsContact CG1-O 3.28Å; V253-G255 WeakPolarHBondContact CG1-O 3.39Å; G255-I268 WeakPolarHBondContact O-CD1 3.47Å; G255-I268 PolarHBondContact O-N 2.95Å
256A87.2Confident84.2Confident24 Ų2427.6 Ų27.620%0.19817%0.172CC..EExtended strand (participates in β ladder)trans-141.5154.9-17900000111.1F235 C239 T266 L267F235-A256 HydrophobicContact CE1-CB 3.78Å; F235-A256 HydrophobicContact CZ-CB 3.56Å; C239-A256 WeakPolarHBondContact SG-CB 3.49Å; A256-T266 CarbonylContact C-O 3.37Å; A256-T266 WeakPolarHBondContact CA-O 3.13Å; A256-L267 HydrophobicContact CB-CD2 4.15Å
257C85.7Confident84.7Confident11 Ų1127.4 Ų27.47%0.07417%0.17CC..EExtended strand (participates in β ladder)trans-150.2175.1175.2660000110.6I188 T266I188-C257 HydrophobicContact CB-CB 4.48Å; I188-C257 WeakPolarHBondContact O-CB 3.48Å; C257-T266 PolarHBondContact N-O 3.35Å; C257-T266 WeakPolarHBondContact O-CA 3.24Å; C257-T266 WeakPolarHBondContact O-CB 3.4Å; C257-T266 PolarHBondContact O-N 3.32Å
258Q82.3Confident85Confident82 Ų8226 Ų2638%0.38316%0.163SC..EExtended strand (participates in β ladder)trans-107129.2172.9-65.9178.7-800108.9S232 P263S232-Q258 PolarHBondContact OG-NE2 3.41Å; Q258-P263 HydrophobicContact CB-CB 4.34Å
259S77.5Confident85.3Confident14 Ų1425.6 Ų25.610%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-85.5127176.4178.60000110.5F190 A262 P263 H264 T266F190-S259 WeakPolarHBondContact CE2-OG 3.42Å; F190-S259 WeakPolarHBondContact CZ-OG 3.49Å; S259-A262 CarbonylContact O-C 3.57Å; S259-A262 VanDerWaalsContact O-C 3.31Å; S259-P263 WeakPolarHBondContact O-CA 3.48Å; S259-H264 PolarHBondContact N-O 2.99Å; S259-H264 PolarHBondContact O-N 3.47Å; S259-T266 WeakPolarHBondContact CB-OG1 3.38Å
260P72.9Confident85.2Confident82 Ų8226.7 Ų26.753%0.53217%0.166SC..THydrogen-bonded Turntrans-78.9156.6163.630.9-30.5000111.1F190F190-P260 HydrophobicContact CD1-CG 4.33Å
261P65.9Low85.2Confident142 Ų14230 Ų3092%0.92218%0.178SC*.THydrogen-bonded Turncis-88.8-14.41732.5-35.4000116
262A70Confident85.1Confident45 Ų4530.3 Ų30.337%0.37218%0.18SC..THydrogen-bonded Turntrans-119.4127.2170.100000107.7S259 H264S259-A262 CarbonylContact O-C 3.57Å; S259-A262 VanDerWaalsContact O-C 3.31Å; A262-H264 VanDerWaalsContact C-N 3.32Å; A262-H264 PolarHBondContact O-CD2 3.14Å; A262-H264 PolarHBondContact O-N 3.26Å
263P73.1Confident85Confident57 Ų5733.2 Ų33.237%0.3720%0.199SC..THydrogen-bonded Turntrans-61.291.6-169.925.2-35.1000111.1W227 Q258 S259W227-P263 VanDerWaalsContact CD1-CG 3.48Å; W227-P263 HydrophobicContact CG-CG 4.29Å; Q258-P263 HydrophobicContact CB-CB 4.34Å; S259-P263 WeakPolarHBondContact O-CA 3.48Å
264H85Confident85.1Confident52 Ų5237.2 Ų37.224%0.24121%0.214CC..EExtended strand (participates in β ladder)trans-97.7123.7175.4-72.4-49.6000108.3V221 L222 S259 A262 T266V221-H264 HydrophobicContact CG1-CB 3.97Å; L222-H264 WeakPolarHBondContact O-CB 3.23Å; L222-H264 PolarHBondContact O-ND1 3.36Å; S259-H264 PolarHBondContact N-O 2.99Å; S259-H264 PolarHBondContact O-N 3.47Å; A262-H264 VanDerWaalsContact C-N 3.32Å; A262-H264 PolarHBondContact O-CD2 3.14Å; A262-H264 PolarHBondContact O-N 3.26Å; H264-T266 PolarHBondContact O-N 3Å; H264-T266 PolarHBondContact O-OG1 3.04Å
265P90.7Very high85.3Confident0 Ų037.9 Ų37.90%022%0.222CC..EExtended strand (participates in β ladder)trans-62.5131.3178.422.9-28000109.1L222 V224 W227 F235L222-P265 HydrophobicContact CB-CG 3.99Å; L222-P265 VanDerWaalsContact CB-O 3.29Å; L222-P265 WeakPolarHBondContact CB-O 3.46Å; L222-P265 HydrophobicContact CD1-CB 4.16Å; L222-P265 HydrophobicContact CD1-CG 3.97Å; L222-P265 WeakPolarHBondContact CG-O 3.38Å; L222-P265 PolarHBondContact N-O 3.3Å; V224-P265 HydrophobicContact CG2-CG 3.87Å; W227-P265 HydrophobicContact CE3-CG 4.23Å; W227-P265 HydrophobicContact CH2-CB 3.81Å; W227-P265 HydrophobicContact CH2-CG 3.51Å; W227-P265 HydrophobicContact CZ2-CB 4.49Å; W227-P265 HydrophobicContact CZ2-CG 4.4Å; W227-P265 HydrophobicContact CZ3-CB 4.25Å; W227-P265 HydrophobicContact CZ3-CG 3.42Å; W227-P265 VanDerWaalsContact CZ3-CG 3.42Å; F235-P265 HydrophobicContact CD1-CB 4.09Å; F235-P265 HydrophobicContact CD2-CB 3.74Å; F235-P265 HydrophobicContact CD2-CG 4.48Å; F235-P265 HydrophobicContact CE1-CB 3.85Å; F235-P265 HydrophobicContact CE2-CB 3.47Å; F235-P265 VanDerWaalsContact CE2-CB 3.47Å; F235-P265 HydrophobicContact CE2-CG 4.49Å; F235-P265 HydrophobicContact CG-CB 4.03Å; F235-P265 HydrophobicContact CZ-CB 3.51Å
266T91.6Very high85.8Confident0 Ų038.1 Ų38.10%022%0.223CC..EExtended strand (participates in β ladder)trans-123.6122.8-173.9-62.20000108.3F190 L193 V219 K220 V221 A256 C257 S259 H264 I268F190-T266 HydrophobicContact CE2-CG2 4.4Å; L193-T266 HydrophobicContact CD1-CG2 4.49Å; V219-T266 HydrophobicContact CG1-CG2 3.25Å; K220-T266 CarbonylContact O-C 3.56Å; K220-T266 WeakPolarHBondContact O-CA 3.37Å; V221-T266 HydrophobicContact CG2-CG2 4.03Å; A256-T266 CarbonylContact C-O 3.37Å; A256-T266 WeakPolarHBondContact CA-O 3.13Å; C257-T266 PolarHBondContact N-O 3.35Å; C257-T266 WeakPolarHBondContact O-CA 3.24Å; C257-T266 WeakPolarHBondContact O-CB 3.4Å; C257-T266 PolarHBondContact O-N 3.32Å; S259-T266 WeakPolarHBondContact CB-OG1 3.38Å; H264-T266 PolarHBondContact O-N 3Å; H264-T266 PolarHBondContact O-OG1 3.04Å; T266-I268 HydrophobicContact CG2-CD1 4.44Å
267L92.6Very high86.3Confident2 Ų237 Ų371%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-99141.8175.5-61175000110.2V219 K220 L222 F235 V253 A256 A338 F342V219-L267 WeakPolarHBondContact CA-O 3.46Å; K220-L267 HydrophobicContact CB-CB 4.31Å; K220-L267 PolarHBondContact N-O 3.47Å; K220-L267 PolarHBondContact O-N 3.43Å; L222-L267 HydrophobicContact CD1-CD1 4.46Å; L222-L267 HydrophobicContact CD1-CG 4.4Å; F235-L267 HydrophobicContact CE2-CD2 3.93Å; F235-L267 HydrophobicContact CZ-CD2 3.99Å; V253-L267 HydrophobicContact CG1-CD2 4.06Å; A256-L267 HydrophobicContact CB-CD2 4.15Å; L267-A338 HydrophobicContact CD1-CB 4.39Å; L267-F342 HydrophobicContact CD1-CE2 3.95Å; L267-F342 HydrophobicContact CD1-CZ 4.43Å; L267-F342 HydrophobicContact CD2-CE2 4.14Å; L267-F342 HydrophobicContact CD2-CZ 3.94Å; L267-F342 HydrophobicContact CG-CE2 4.38Å
268I92.1Very high86.8Confident0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2129.4175-59.984.9000107.9I188 L193 W212 I217 V218 L254 G255 T266I188-I268 HydrophobicContact CD1-CB 4.21Å; I188-I268 HydrophobicContact CD1-CD1 4Å; I188-I268 HydrophobicContact CD1-CG1 4.2Å; I188-I268 HydrophobicContact CG2-CD1 4.33Å; L193-I268 HydrophobicContact CD1-CD1 4.14Å; L193-I268 HydrophobicContact CD1-CG1 4.02Å; L193-I268 HydrophobicContact CD2-CG1 4.03Å; W212-I268 HydrophobicContact CE3-CG2 4.37Å; I217-I268 HydrophobicContact CB-CG2 4.07Å; I217-I268 HydrophobicContact CD1-CG2 3.63Å; I217-I268 HydrophobicContact CG1-CG2 4.46Å; I217-I268 HydrophobicContact CG2-CG2 4.12Å; V218-I268 WeakPolarHBondContact O-CA 3.42Å; L254-I268 HydrophobicContact CB-CB 4.46Å; L254-I268 HydrophobicContact CB-CG2 4.16Å; L254-I268 WeakPolarHBondContact CB-O 3.47Å; L254-I268 HydrophobicContact CD1-CG2 4.12Å; L254-I268 PolarHBondContact N-O 2.92Å; G255-I268 WeakPolarHBondContact O-CD1 3.47Å; G255-I268 PolarHBondContact O-N 2.95Å; T266-I268 HydrophobicContact CG2-CD1 4.44Å
269T92.7Very high87.3Confident11 Ų1136.4 Ų36.47%0.06721%0.21CC..EExtended strand (participates in β ladder)trans-138.4171.9171.3-169.50000110.2I217 V218 P252 A338I217-T269 CarbonylContact C-O 3.43Å; I217-T269 WeakPolarHBondContact CA-O 3.46Å; I217-T269 WeakPolarHBondContact CB-O 3.19Å; V218-T269 HydrophobicContact CB-CG2 3.85Å; V218-T269 HydrophobicContact CG1-CG2 4.32Å; V218-T269 PolarHBondContact N-O 3.23Å; V218-T269 PolarHBondContact O-N 3.1Å; P252-T269 PolarHBondContact O-OG1 2.65Å; T269-A338 HydrophobicContact CG2-CB 4.09Å
270H90.8Very high88.1Confident27 Ų2736.2 Ų36.213%0.12521%0.208CC..EExtended strand (participates in β ladder)trans-67.5146.9179.9-65.493.2000111.6T181 L251 L254 M272T181-H270 WeakPolarHBondContact CG2-CE1 3.08Å; T181-H270 WeakPolarHBondContact CG2-NE2 3.48Å; L251-H270 HydrophobicContact CD1-CB 4.07Å; L254-H270 WeakPolarHBondContact CD2-CE1 3.32Å; H270-M272 HydrophobicContact CB-CE 3.5Å
271W92.9Very high89.1Confident71 Ų7133.4 Ų33.427%0.26919%0.188SC..  trans-67.8132.1165.9174.3-106.3000111L199 K209 D216 V218L199-W271 HydrophobicContact CD1-CZ3 3.7Å; L199-W271 HydrophobicContact CD2-CH2 4.26Å; L199-W271 HydrophobicContact CD2-CZ3 4.12Å; K209-W271 HydrophobicContact CB-CE3 4.33Å; K209-W271 HydrophobicContact CB-CZ3 4.21Å; K209-W271 HydrophobicContact CD-CD2 4.06Å; K209-W271 HydrophobicContact CD-CE3 3.99Å; K209-W271 HydrophobicContact CD-CH2 4.15Å; K209-W271 HydrophobicContact CD-CZ2 4.19Å; K209-W271 HydrophobicContact CD-CZ3 4.06Å; K209-W271 HydrophobicContact CG-CD2 4.33Å; K209-W271 HydrophobicContact CG-CE3 3.93Å; K209-W271 HydrophobicContact CG-CZ3 4.18Å; D216-W271 HydrophobicContact CB-CB 3.72Å; D216-W271 HydrophobicContact CB-CG 4.04Å; D216-W271 WeakPolarHBondContact O-CB 3.46Å; D216-W271 PolarHBondContact O-N 2.87Å; V218-W271 HydrophobicContact CG2-CE3 3.68Å; V218-W271 HydrophobicContact CG2-CZ3 4.25Å
272M91.8Very high90.4Very high7 Ų729.1 Ų29.13%0.03416%0.156CC..  trans-115.5110.1178.6-66-73.4130.400107.5L251 H270 Y274 G275 M326 D328L251-M272 HydrophobicContact CD1-CE 3.67Å; L251-M272 HydrophobicContact CD2-CE 4.33Å; L251-M272 HydrophobicContact CD2-CG 3.96Å; L251-M272 HydrophobicContact CD2-SD 4.41Å; H270-M272 HydrophobicContact CB-CE 3.5Å; M272-Y274 VanDerWaalsContact C-N 3.28Å; M272-Y274 PolarHBondContact O-N 3.29Å; M272-G275 PolarHBondContact O-N 3.35Å; M272-M326 HydrophobicContact CB-CB 4.1Å; M272-M326 HydrophobicContact CB-CE 3.9Å; M272-M326 HydrophobicContact CG-CB 3.66Å; M272-M326 HydrophobicContact CG-CE 4.25Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; M272-D328 HydrophobicContact SD-CB 3.77Å
273P88.5Confident91.3Very high66 Ų6632.8 Ų32.843%0.42917%0.165SC..THydrogen-bonded Turntrans-64.5-29.7-166.723.4-33000114E329P273-E329 HydrophobicContact CG-CB 4.04Å
274Y91.3Very high91.1Very high83 Ų8333.4 Ų33.433%0.32518%0.182SC..THydrogen-bonded Turntrans-91.3-2.6178-62.4-73.6000113.4M272 I327 D328 M331M272-Y274 VanDerWaalsContact C-N 3.28Å; M272-Y274 PolarHBondContact O-N 3.29Å; Y274-I327 HydrophobicContact CD2-CG2 4.08Å; Y274-I327 HydrophobicContact CG-CG2 4.4Å; Y274-D328 VanDerWaalsContact CD2-O 3.25Å; Y274-D328 WeakPolarHBondContact CD2-O 3.44Å; Y274-D328 WeakPolarHBondContact CE2-O 3.33Å; Y274-M331 HydrophobicContact CD2-SD 3.92Å; Y274-M331 HydrophobicContact CE1-SD 4.39Å; Y274-M331 HydrophobicContact CE2-SD 3.45Å; Y274-M331 WeakPolarHBondContact CE2-SD 3.27Å
275G92.9Very high90.4Very high16 Ų1632.7 Ų32.717%0.16518%0.181CC..  trans71.7-150.7-175.300000112.8M272 M326 I327M272-G275 PolarHBondContact O-N 3.35Å; G275-M326 WeakPolarHBondContact O-CA 3.26Å; G275-I327 PolarHBondContact O-N 2.99Å
276S95.3Very high89.6Confident9 Ų941.4 Ų41.46%0.06323%0.228CC..BIsolated β-bridgetrans-78.3162.6175.171.50000112.2Y278 N279 V280 V325S276-Y278 PolarHBondContact O-N 2.94Å; S276-Y278 PolarHBondContact OG-N 3.31Å; S276-N279 WeakPolarHBondContact CA-OD1 3.42Å; S276-N279 WeakPolarHBondContact CB-OD1 3.39Å; S276-N279 PolarHBondContact N-OD1 3.14Å; S276-N279 WeakPolarHBondContact O-CB 3.13Å; S276-N279 PolarHBondContact O-N 2.92Å; S276-N279 PolarHBondContact OG-N 3.09Å; S276-N279 PolarHBondContact OG-OD1 3.21Å; S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.17Å; S276-V325 CarbonylContact C-O 3.56Å; S276-V325 WeakPolarHBondContact CA-O 3.31Å; S276-V325 WeakPolarHBondContact CB-O 3.38Å
277L96.4Very high88.8Confident0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-54.7-35.7171.4179.762.6000110.9N279 V280 L281 F297 M301 S322 V325 I327 L381 L385L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.88Å; L277-V280 PolarHBondContact O-N 2.99Å; L277-L281 HydrophobicContact CD1-CD1 3.93Å; L277-L281 HydrophobicContact CD1-CD2 4.3Å; L277-L281 HydrophobicContact CD1-CG 3.9Å; L277-L281 HydrophobicContact CD2-CD1 4.39Å; L277-L281 HydrophobicContact CG-CD1 3.81Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.37Å; L277-L281 PolarHBondContact O-N 3.1Å; L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.25Å; L277-M301 HydrophobicContact CD2-CE 4.34Å; L277-M301 HydrophobicContact CD2-SD 4.08Å; L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.92Å; L277-V325 HydrophobicContact CB-CB 4.13Å; L277-V325 HydrophobicContact CB-CG1 4.2Å; L277-V325 PolarHBondContact N-O 2.77Å; L277-I327 HydrophobicContact CB-CD1 4.45Å; L277-I327 HydrophobicContact CD1-CD1 4.42Å; L277-L381 HydrophobicContact CD2-CD2 4.1Å; L277-L385 HydrophobicContact CD1-CD2 3.91Å; L277-L385 HydrophobicContact CD2-CD2 4.23Å; L277-L385 HydrophobicContact CD2-CG 4.43Å
278Y95.6Very high88.3Confident36 Ų3650.2 Ų50.214%0.14128%0.277CS..Hα-helixtrans-59.2-40.3174.1-171.9-85.8000112.3S276 L281 H282 E283 S322 R323 V390S276-Y278 PolarHBondContact O-N 2.94Å; S276-Y278 PolarHBondContact OG-N 3.31Å; Y278-L281 PolarHBondContact O-N 3.14Å; Y278-H282 AromaticContact CD2-CD2 3.53Å; Y278-H282 HydrophobicContact CE1-CB 4.23Å; Y278-H282 AromaticContact CE2-CD2 3.62Å; Y278-H282 AromaticContact CG-CD2 3.99Å; Y278-H282 WeakPolarHBondContact O-CB 3.47Å; Y278-H282 PolarHBondContact O-N 3.19Å; Y278-E283 HydrophobicContact CD1-CG 4.22Å; Y278-E283 HydrophobicContact CE1-CG 4Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.45Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.43Å; Y278-S322 PolarHBondContact N-O 3.02Å; Y278-R323 HydrophobicContact CD2-CG 4.29Å; Y278-R323 VanDerWaalsContact CE2-CZ 3.47Å; Y278-R323 HydrophobicContact CG-CG 3.96Å; Y278-R323 PolarHBondContact OH-NH2 2.83Å; Y278-V390 HydrophobicContact CE2-CG1 4.31Å; Y278-V390 HydrophobicContact CE2-CG2 3.77Å
279N94.1Very high88Confident45 Ų4550.7 Ų50.724%0.24128%0.28CS..Hα-helixtrans-67-43.5178.3-53.8109.5000110.6S276 L277 L281 E283S276-N279 WeakPolarHBondContact CA-OD1 3.42Å; S276-N279 WeakPolarHBondContact CB-OD1 3.39Å; S276-N279 PolarHBondContact N-OD1 3.14Å; S276-N279 WeakPolarHBondContact O-CB 3.13Å; S276-N279 PolarHBondContact O-N 2.92Å; S276-N279 PolarHBondContact OG-N 3.09Å; S276-N279 PolarHBondContact OG-OD1 3.21Å; L277-N279 VanDerWaalsContact C-N 3.31Å; L277-N279 PolarHBondContact O-N 2.88Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 3.44Å; N279-E283 PolarHBondContact ND2-OE2 3.02Å; N279-E283 PolarHBondContact O-N 3.12Å; N279-E283 VanDerWaalsContact O-N 3.1Å
280V93.5Very high87.9Confident9 Ų954.5 Ų54.56%0.05530%0.299CS..Hα-helixtrans-60.2-41.4178.3174.90000111.8S276 L277 T285 F287 V289 I327S276-V280 PolarHBondContact O-N 3.11Å; S276-V280 VanDerWaalsContact O-N 3.17Å; L277-V280 PolarHBondContact O-N 2.99Å; V280-T285 HydrophobicContact CB-CG2 4.4Å; V280-T285 HydrophobicContact CG2-CG2 4.06Å; V280-F287 HydrophobicContact CG1-CD1 4.39Å; V280-V289 HydrophobicContact CG1-CG2 3.44Å; V280-V289 VanDerWaalsContact CG1-CG2 3.44Å; V280-I327 HydrophobicContact CG2-CB 4.28Å; V280-I327 HydrophobicContact CG2-CG1 3.9Å
281L94.1Very high87.8Confident24 Ų2459.8 Ų59.813%0.12632%0.324CS..Hα-helixtrans-82.3-39.4-175.9-63.9-176.6000113.9L277 Y278 N279 V289 E384 L385L277-L281 HydrophobicContact CD1-CD1 3.93Å; L277-L281 HydrophobicContact CD1-CD2 4.3Å; L277-L281 HydrophobicContact CD1-CG 3.9Å; L277-L281 HydrophobicContact CD2-CD1 4.39Å; L277-L281 HydrophobicContact CG-CD1 3.81Å; L277-L281 HydrophobicContact CG-CG 4.16Å; L277-L281 WeakPolarHBondContact O-CB 3.32Å; L277-L281 VanDerWaalsContact O-CG 3.23Å; L277-L281 WeakPolarHBondContact O-CG 3.37Å; L277-L281 PolarHBondContact O-N 3.1Å; Y278-L281 PolarHBondContact O-N 3.14Å; N279-L281 VanDerWaalsContact C-N 3.31Å; N279-L281 PolarHBondContact O-N 3.44Å; L281-V289 HydrophobicContact CD2-CB 4.49Å; L281-V289 HydrophobicContact CD2-CG2 3.98Å; L281-E384 HydrophobicContact CD1-CG 3.79Å; L281-L385 HydrophobicContact CD1-CD2 4.28Å; L281-L385 HydrophobicContact CD2-CD2 4.38Å
282H93.8Very high87.6Confident52 Ų5259.6 Ų59.624%0.24133%0.334CS..Hα-helixtrans-124.6-20.4-162.4-53.3-60.6000114.9Y278 E384 V390Y278-H282 AromaticContact CD2-CD2 3.53Å; Y278-H282 HydrophobicContact CE1-CB 4.23Å; Y278-H282 AromaticContact CE2-CD2 3.62Å; Y278-H282 AromaticContact CG-CD2 3.99Å; Y278-H282 WeakPolarHBondContact O-CB 3.47Å; Y278-H282 PolarHBondContact O-N 3.19Å; H282-E384 IonicContact CD2-OE1 2.7Å; H282-E384 IonicContact CE1-OE1 3.81Å; H282-E384 IonicContact NE2-OE1 3.09Å; H282-E384 PolarHBondContact NE2-OE1 2.99Å; H282-V390 HydrophobicContact CB-CG2 4.4Å
283E88.4Confident87.6Confident121 Ų12160.6 Ų60.657%0.56534%0.339SS*.THydrogen-bonded Turntrans-107.110.5-175.6-60.9-175.3176.700113.6Y278 N279Y278-E283 HydrophobicContact CD1-CG 4.22Å; Y278-E283 HydrophobicContact CE1-CG 4Å; Y278-E283 WeakPolarHBondContact CE1-OE1 3.45Å; N279-E283 PolarHBondContact ND2-OE2 3.02Å; N279-E283 PolarHBondContact O-N 3.12Å; N279-E283 VanDerWaalsContact O-N 3.1Å
284G68.2Low87.9Confident70 Ų7057.9 Ų57.972%0.72232%0.321SS*.THydrogen-bonded Turntrans75.190.5173.600000112.5
285T72.2Confident88Confident38 Ų3854.6 Ų54.623%0.23331%0.31CS..  trans-97.6160.1161.762.10000109.7V280 F287V280-T285 HydrophobicContact CB-CG2 4.4Å; V280-T285 HydrophobicContact CG2-CG2 4.06Å; T285-F287 PolarHBondContact O-N 3.12Å; T285-F287 PolarHBondContact OG1-O 3.41Å
286N72.4Confident88Confident183 Ų18355.8 Ų55.898%0.97931%0.31SS*.SBendtrans-67.27.1174.2-69.9-18.7000113.3
287F75.8Confident88.1Confident58 Ų5855.3 Ų55.325%0.25431%0.307SS..  trans-117.7122.5-175.1178.6-97.3000110V280 T285 V289 Q293 M331V280-F287 HydrophobicContact CG1-CD1 4.39Å; T285-F287 PolarHBondContact O-N 3.12Å; T285-F287 PolarHBondContact OG1-O 3.41Å; F287-V289 HydrophobicContact CD1-CG2 3.87Å; F287-V289 HydrophobicContact CE1-CB 4.06Å; F287-V289 HydrophobicContact CE1-CG2 3.72Å; F287-Q293 HydrophobicContact CE1-CB 4.45Å; F287-Q293 HydrophobicContact CE1-CG 3.76Å; F287-Q293 HydrophobicContact CZ-CB 4.17Å; F287-Q293 HydrophobicContact CZ-CG 3.7Å; F287-M331 HydrophobicContact CB-CE 4.27Å; F287-M331 HydrophobicContact CD1-CE 3.16Å; F287-M331 HydrophobicContact CD2-CE 3.54Å; F287-M331 HydrophobicContact CE1-CE 3.14Å; F287-M331 HydrophobicContact CE2-CE 3.56Å; F287-M331 HydrophobicContact CG-CE 3.34Å; F287-M331 HydrophobicContact CZ-CE 3.37Å
288V80.7Confident88.1Confident128 Ų12855.3 Ų55.378%0.77631%0.307SS*.  trans-89.6118.8170.7179.90000107.9D290V288-D290 PolarHBondContact O-N 2.87Å
289V87.5Confident88.1Confident10 Ų1053.7 Ų53.76%0.06130%0.301CS..  trans-74.1115.6173-170.70000107.7V280 L281 F287 Q293 A294 F297 R388V280-V289 HydrophobicContact CG1-CG2 3.44Å; V280-V289 VanDerWaalsContact CG1-CG2 3.44Å; L281-V289 HydrophobicContact CD2-CB 4.49Å; L281-V289 HydrophobicContact CD2-CG2 3.98Å; F287-V289 HydrophobicContact CD1-CG2 3.87Å; F287-V289 HydrophobicContact CE1-CB 4.06Å; F287-V289 HydrophobicContact CE1-CG2 3.72Å; V289-Q293 HydrophobicContact CG1-CB 3.93Å; V289-Q293 HydrophobicContact CG1-CG 3.92Å; V289-A294 HydrophobicContact CG1-CB 4.22Å; V289-F297 HydrophobicContact CG1-CD2 3.94Å; V289-F297 HydrophobicContact CG1-CE2 3.82Å; V289-F297 HydrophobicContact CG2-CE2 3.92Å; V289-R388 VanDerWaalsContact CB-CZ 3.4Å; V289-R388 PolarHBondContact O-NH2 3.47Å
290D89.9Confident88.2Confident91 Ų9152 Ų5249%0.48729%0.292SS..  trans-87.2-173.7171.868.915000111.2V288 S292 Q293 A294 R388V288-D290 PolarHBondContact O-N 2.87Å; D290-S292 PolarHBondContact OD1-N 2.67Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.37Å; D290-Q293 PolarHBondContact OD1-N 3.31Å; D290-A294 VanDerWaalsContact O-CB 3.28Å; D290-A294 WeakPolarHBondContact O-CB 3.27Å; D290-A294 PolarHBondContact O-N 3.3Å; D290-R388 PolarHBondContact O-NH2 3.08Å
291Q87.7Confident88.4Confident139 Ų13951.6 Ų51.665%0.6529%0.289SS*.Hα-helixtrans-65.9-39.6178.6-174.8177.1-4.600112.3A294 V295Q291-A294 PolarHBondContact O-N 3.4Å; Q291-V295 WeakPolarHBondContact O-CG2 3.23Å; Q291-V295 PolarHBondContact O-N 3.36Å
292S90Very high88.5Confident67 Ų6750.4 Ų50.447%0.46928%0.284SS..Hα-helixtrans-65.4-46.2-178.8-174.50000110.7D290 A294 V295 K296D290-S292 PolarHBondContact OD1-N 2.67Å; S292-A294 VanDerWaalsContact C-N 3.35Å; S292-A294 PolarHBondContact O-N 3.17Å; S292-V295 PolarHBondContact O-N 2.74Å; S292-K296 PolarHBondContact O-N 2.81Å
293Q92.1Very high88.6Confident28 Ų2851.8 Ų51.813%0.13129%0.286CS..Hα-helixtrans-67.2-35.5176.6-171.565.145.100112F287 V289 D290 K296 F297 M331F287-Q293 HydrophobicContact CE1-CB 4.45Å; F287-Q293 HydrophobicContact CE1-CG 3.76Å; F287-Q293 HydrophobicContact CZ-CB 4.17Å; F287-Q293 HydrophobicContact CZ-CG 3.7Å; V289-Q293 HydrophobicContact CG1-CB 3.93Å; V289-Q293 HydrophobicContact CG1-CG 3.92Å; D290-Q293 WeakPolarHBondContact OD1-CB 3.37Å; D290-Q293 PolarHBondContact OD1-N 3.31Å; Q293-K296 PolarHBondContact O-N 3.47Å; Q293-F297 HydrophobicContact CG-CD2 4.1Å; Q293-F297 HydrophobicContact CG-CE1 4.28Å; Q293-F297 HydrophobicContact CG-CE2 3.69Å; Q293-F297 HydrophobicContact CG-CZ 3.79Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.31Å; Q293-F297 VanDerWaalsContact NE2-CZ 3.29Å; Q293-F297 WeakPolarHBondContact O-CG 3.47Å; Q293-F297 PolarHBondContact O-N 3.44Å; Q293-M331 PolarHBondContact NE2-O 3.12Å
294A93.5Very high89Confident8 Ų846 Ų467%0.06626%0.26CS..Hα-helixtrans-61.6-43.9173.500000111.6V289 D290 Q291 S292 F297 A298 L385V289-A294 HydrophobicContact CG1-CB 4.22Å; D290-A294 VanDerWaalsContact O-CB 3.28Å; D290-A294 WeakPolarHBondContact O-CB 3.27Å; D290-A294 PolarHBondContact O-N 3.3Å; Q291-A294 PolarHBondContact O-N 3.4Å; S292-A294 VanDerWaalsContact C-N 3.35Å; S292-A294 PolarHBondContact O-N 3.17Å; A294-F297 PolarHBondContact O-N 3.36Å; A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 2.82Å; A294-L385 HydrophobicContact CB-CB 4.36Å; A294-L385 HydrophobicContact CB-CD2 4.47Å
295V93.6Very high90.3Very high14 Ų1442.7 Ų42.79%0.08523%0.225CC..Hα-helixtrans-64.2-41.3174.3174.40000110.9Q291 S292 A298 L299 M449 Q450Q291-V295 WeakPolarHBondContact O-CG2 3.23Å; Q291-V295 PolarHBondContact O-N 3.36Å; S292-V295 PolarHBondContact O-N 2.74Å; V295-A298 PolarHBondContact O-N 2.77Å; V295-L299 WeakPolarHBondContact O-CB 3.34Å; V295-L299 PolarHBondContact O-N 3.1Å; V295-M449 HydrophobicContact CG1-CB 3.8Å; V295-Q450 HydrophobicContact CG1-CB 4.09Å
296K93.5Very high91.5Very high41 Ų4142 Ų4218%0.17822%0.223CC..Hα-helixtrans-59-49174.6-178-179179.7-62.10111.7S292 Q293 A298 L299 D300 M331 T332S292-K296 PolarHBondContact O-N 2.81Å; Q293-K296 PolarHBondContact O-N 3.47Å; K296-A298 VanDerWaalsContact C-N 3.32Å; K296-A298 PolarHBondContact O-N 3.34Å; K296-L299 WeakPolarHBondContact O-CB 3.33Å; K296-L299 PolarHBondContact O-N 3Å; K296-D300 IonicContact NZ-OD2 2.77Å; K296-D300 PolarHBondContact NZ-OD2 2.84Å; K296-D300 WeakPolarHBondContact O-CB 3.36Å; K296-D300 PolarHBondContact O-N 3.46Å; K296-M331 PolarHBondContact NZ-O 2.99Å; K296-T332 PolarHBondContact NZ-OG1 2.87Å
297F96.2Very high92.5Very high0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-61.3-41.5177.1-70.4-30.5000111.9L277 V289 Q293 A294 L299 D300 M301 I327 M331 A333 L385L277-F297 HydrophobicContact CD1-CD2 4.01Å; L277-F297 HydrophobicContact CD1-CE2 4.25Å; V289-F297 HydrophobicContact CG1-CD2 3.94Å; V289-F297 HydrophobicContact CG1-CE2 3.82Å; V289-F297 HydrophobicContact CG2-CE2 3.92Å; Q293-F297 HydrophobicContact CG-CD2 4.1Å; Q293-F297 HydrophobicContact CG-CE1 4.28Å; Q293-F297 HydrophobicContact CG-CE2 3.69Å; Q293-F297 HydrophobicContact CG-CZ 3.79Å; Q293-F297 VanDerWaalsContact NE2-CD1 3.31Å; Q293-F297 VanDerWaalsContact NE2-CZ 3.29Å; Q293-F297 WeakPolarHBondContact O-CG 3.47Å; Q293-F297 PolarHBondContact O-N 3.44Å; A294-F297 PolarHBondContact O-N 3.36Å; F297-L299 VanDerWaalsContact C-N 3.35Å; F297-L299 PolarHBondContact O-N 2.84Å; F297-D300 PolarHBondContact O-N 3.38Å; F297-M301 WeakPolarHBondContact O-CE 3.46Å; F297-M301 VanDerWaalsContact O-CG 3.29Å; F297-M301 WeakPolarHBondContact O-CG 3.38Å; F297-M301 PolarHBondContact O-N 2.99Å; F297-I327 HydrophobicContact CD1-CD1 4.06Å; F297-I327 HydrophobicContact CE1-CD1 3.7Å; F297-I327 HydrophobicContact CE1-CG1 4.38Å; F297-I327 HydrophobicContact CE1-CG2 4.03Å; F297-I327 HydrophobicContact CZ-CD1 4.01Å; F297-I327 HydrophobicContact CZ-CG1 4.29Å; F297-I327 HydrophobicContact CZ-CG2 4.03Å; F297-M331 VanDerWaalsContact CE1-O 3.24Å; F297-M331 WeakPolarHBondContact CE1-O 3.06Å; F297-M331 HydrophobicContact CZ-CE 4.19Å; F297-A333 HydrophobicContact CB-CB 4.38Å; F297-A333 HydrophobicContact CD1-CB 3.87Å; F297-A333 HydrophobicContact CG-CB 4.45Å; F297-L385 HydrophobicContact CB-CD1 4.27Å; F297-L385 HydrophobicContact CB-CD2 4.25Å; F297-L385 HydrophobicContact CD2-CD2 4.03Å
298A96.9Very high93.3Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-60.9-43.9174.700000111.7A294 V295 K296 M301 A302 F378 L382 L385 L446A294-A298 WeakPolarHBondContact O-CB 3.08Å; A294-A298 PolarHBondContact O-N 2.82Å; V295-A298 PolarHBondContact O-N 2.77Å; K296-A298 VanDerWaalsContact C-N 3.32Å; K296-A298 PolarHBondContact O-N 3.34Å; A298-M301 PolarHBondContact O-N 3.04Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.07Å; A298-A302 PolarHBondContact O-N 3.08Å; A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.19Å; A298-F378 VanDerWaalsContact O-CE2 3.3Å; A298-F378 WeakPolarHBondContact O-CE2 3.37Å; A298-L382 HydrophobicContact CB-CD1 4.02Å; A298-L385 HydrophobicContact CB-CD1 4.18Å; A298-L446 HydrophobicContact CB-CD2 4.08Å
299L95.7Very high94Very high1 Ų127.7 Ų27.71%0.00514%0.142CC..Hα-helixtrans-62.8-46.1176.5178.760.9000112.1V295 K296 F297 M301 A302 R303 V443 L446 E447V295-L299 WeakPolarHBondContact O-CB 3.34Å; V295-L299 PolarHBondContact O-N 3.1Å; K296-L299 WeakPolarHBondContact O-CB 3.33Å; K296-L299 PolarHBondContact O-N 3Å; F297-L299 VanDerWaalsContact C-N 3.35Å; F297-L299 PolarHBondContact O-N 2.84Å; L299-M301 PolarHBondContact O-N 3.33Å; L299-A302 PolarHBondContact O-N 3.16Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CB 3.17Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.18Å; L299-V443 HydrophobicContact CD1-CG1 4.06Å; L299-L446 HydrophobicContact CB-CB 4.16Å; L299-L446 HydrophobicContact CD1-CB 3.77Å; L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å
300D95.8Very high94.2Very high10 Ų1031.8 Ų31.85%0.05317%0.168CC..Hα-helixtrans-57.6-48.1177.5-79.6-22.4000111.2N249 K296 F297 R303 G304 T332 A333N249-D300 WeakPolarHBondContact CB-O 3.44Å; N249-D300 WeakPolarHBondContact ND2-CA 3.23Å; N249-D300 WeakPolarHBondContact ND2-CB 3.06Å; N249-D300 VanDerWaalsContact ND2-CG 3.26Å; N249-D300 PolarHBondContact ND2-OD1 2.94Å; K296-D300 IonicContact NZ-OD2 2.77Å; K296-D300 PolarHBondContact NZ-OD2 2.84Å; K296-D300 WeakPolarHBondContact O-CB 3.36Å; K296-D300 PolarHBondContact O-N 3.46Å; F297-D300 PolarHBondContact O-N 3.38Å; D300-R303 PolarHBondContact O-N 3.05Å; D300-G304 PolarHBondContact O-N 2.72Å; D300-T332 WeakPolarHBondContact OD2-CA 3.29Å; D300-A333 HydrophobicContact CB-CB 3.75Å; D300-A333 PolarHBondContact OD2-N 2.7Å; D300-A333 VanDerWaalsContact OD2-N 3.14Å
301M97.6Very high94.1Very high0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-63.8-41.9175.9-68.3-176.4-62.100112.2L277 F297 A298 L299 G304 M305 V325 A333 F378 L381 L385L277-M301 HydrophobicContact CD2-CE 4.34Å; L277-M301 HydrophobicContact CD2-SD 4.08Å; F297-M301 WeakPolarHBondContact O-CE 3.46Å; F297-M301 VanDerWaalsContact O-CG 3.29Å; F297-M301 WeakPolarHBondContact O-CG 3.38Å; F297-M301 PolarHBondContact O-N 2.99Å; A298-M301 PolarHBondContact O-N 3.04Å; L299-M301 PolarHBondContact O-N 3.33Å; M301-G304 PolarHBondContact O-N 3.48Å; M301-M305 WeakPolarHBondContact O-CG 3.15Å; M301-M305 PolarHBondContact O-N 3.48Å; M301-V325 HydrophobicContact CG-CG1 3.96Å; M301-V325 HydrophobicContact CG-CG2 4.18Å; M301-V325 HydrophobicContact SD-CB 4.32Å; M301-V325 HydrophobicContact SD-CG1 3.91Å; M301-V325 HydrophobicContact SD-CG2 3.74Å; M301-A333 HydrophobicContact CG-CB 4.15Å; M301-F378 HydrophobicContact CB-CD2 4.35Å; M301-F378 HydrophobicContact CB-CE2 4.27Å; M301-F378 HydrophobicContact CE-CE2 4.47Å; M301-L381 HydrophobicContact CE-CB 4.18Å; M301-L381 HydrophobicContact CE-CD1 4.43Å; M301-L381 HydrophobicContact SD-CD1 3.76Å; M301-L385 HydrophobicContact CE-CD1 3.6Å
302A97.5Very high94Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-64.4-41.3179.200000112A298 L299 M305 A306 F378 F439 I442 V443 L446A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.07Å; A298-A302 PolarHBondContact O-N 3.08Å; L299-A302 PolarHBondContact O-N 3.16Å; A302-M305 PolarHBondContact O-N 3.39Å; A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.22Å; A302-A306 PolarHBondContact O-N 2.86Å; A302-F378 HydrophobicContact CB-CE2 4.04Å; A302-F378 HydrophobicContact CB-CZ 4.18Å; A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.49Å; A302-I442 HydrophobicContact CB-CD1 4.18Å; A302-V443 HydrophobicContact CB-CG2 3.88Å; A302-L446 HydrophobicContact CB-CD1 3.58Å
303R95.6Very high93.9Very high80 Ų8032 Ų3230%0.30217%0.167SC..Hα-helixtrans-62.9-47.2174.1-75.1175.2171.1164.8-3111.5L299 D300 M305 A306 F307 V443 E447L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CB 3.17Å; L299-R303 WeakPolarHBondContact O-CG 3.45Å; L299-R303 PolarHBondContact O-N 3.18Å; D300-R303 PolarHBondContact O-N 3.05Å; R303-M305 PolarHBondContact O-N 3.5Å; R303-A306 PolarHBondContact O-N 3.21Å; R303-F307 PolarHBondContact O-N 2.86Å; R303-V443 HydrophobicContact CG-CG1 4.08Å; R303-V443 HydrophobicContact CG-CG2 4.13Å; R303-E447 IonicContact CZ-OE1 3.49Å; R303-E447 IonicContact NE-OE1 2.8Å; R303-E447 IonicContact NH2-OE1 3.92Å; R303-E447 PolarHBondContact NH2-OE1 2.98Å
304G95.6Very high93.9Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-56.2-48.9175.100000112.3D300 M301 F307 L308D300-G304 PolarHBondContact O-N 2.72Å; M301-G304 PolarHBondContact O-N 3.48Å; G304-F307 PolarHBondContact O-N 3.44Å; G304-L308 VanDerWaalsContact O-CG 3.31Å; G304-L308 WeakPolarHBondContact O-CG 3.44Å; G304-L308 PolarHBondContact O-N 3.28Å
305M97.1Very high93.8Very high1 Ų133.4 Ų33.41%0.00517%0.174CC..Hα-helixtrans-68.5-37.7178.6-74.3-55.4-50.800113.5M301 A302 R303 F307 L308 H309 H318 L320 I335 D374 F439M301-M305 WeakPolarHBondContact O-CG 3.15Å; M301-M305 PolarHBondContact O-N 3.48Å; A302-M305 PolarHBondContact O-N 3.39Å; R303-M305 PolarHBondContact O-N 3.5Å; M305-F307 VanDerWaalsContact C-N 3.27Å; M305-F307 PolarHBondContact O-N 2.96Å; M305-L308 PolarHBondContact O-N 2.96Å; M305-L308 HydrophobicContact SD-CD1 4.07Å; M305-H309 WeakPolarHBondContact CE-NE2 3.41Å; M305-H309 WeakPolarHBondContact O-CB 3.47Å; M305-H309 PolarHBondContact O-N 3.42Å; M305-H318 PolarHBondContact SD-CE1 3.39Å; M305-L320 HydrophobicContact CG-CD2 3.84Å; M305-L320 HydrophobicContact SD-CD1 4.29Å; M305-L320 HydrophobicContact SD-CD2 4.1Å; M305-I335 HydrophobicContact CB-CD1 4.46Å; M305-I335 HydrophobicContact CG-CD1 3.63Å; M305-I335 HydrophobicContact SD-CD1 3.65Å; M305-D374 HydrophobicContact CE-CB 3.69Å; M305-D374 WeakPolarHBondContact CE-OD2 3.17Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.62Å; M305-F439 HydrophobicContact CB-CE1 3.63Å; M305-F439 HydrophobicContact CB-CE2 3.51Å; M305-F439 HydrophobicContact CB-CG 3.75Å; M305-F439 HydrophobicContact CB-CZ 3.51Å; M305-F439 HydrophobicContact CE-CE2 4.15Å; M305-F439 HydrophobicContact CG-CE1 4.03Å; M305-F439 HydrophobicContact CG-CE2 4.04Å; M305-F439 HydrophobicContact CG-CZ 3.71Å
306A95.7Very high93.5Very high23 Ų2335 Ų3519%0.1919%0.185CC..Hα-helixtrans-55.1-47.7173.900000110.4A302 R303 H309 T310 F439A302-A306 VanDerWaalsContact O-CB 3.29Å; A302-A306 WeakPolarHBondContact O-CB 3.22Å; A302-A306 PolarHBondContact O-N 2.86Å; R303-A306 PolarHBondContact O-N 3.21Å; A306-H309 PolarHBondContact O-N 2.85Å; A306-T310 WeakPolarHBondContact O-CG2 3.49Å; A306-T310 PolarHBondContact O-N 3.27Å; A306-F439 HydrophobicContact CB-CB 3.69Å
307F93.4Very high93.3Very high41 Ų4137.4 Ų37.418%0.1819%0.193CC..Hα-helixtrans-65.4-46.9175.9169.6-99000112.5T23 I244 S246 H247 V250 R303 G304 M305 H309 T310 L311T23-F307 HydrophobicContact CG2-CZ 4.06Å; I244-F307 HydrophobicContact CG2-CE1 3.58Å; I244-F307 HydrophobicContact CG2-CZ 3.93Å; S246-F307 VanDerWaalsContact OG-CZ 3.27Å; S246-F307 WeakPolarHBondContact OG-CZ 3.37Å; H247-F307 HydrophobicContact CB-CD1 3.53Å; H247-F307 HydrophobicContact CB-CD2 4.39Å; H247-F307 HydrophobicContact CB-CE1 3.57Å; H247-F307 HydrophobicContact CB-CE2 4.43Å; H247-F307 HydrophobicContact CB-CG 3.96Å; H247-F307 HydrophobicContact CB-CZ 4.05Å; H247-F307 WeakPolarHBondContact CD2-CB 3.2Å; H247-F307 AromaticContact CD2-CD1 3.78Å; H247-F307 AromaticContact CD2-CD2 3.77Å; H247-F307 AromaticContact CD2-CG 3.33Å; H247-F307 WeakPolarHBondContact CD2-CG 3.46Å; H247-F307 AromaticContact CG-CD1 3.61Å; H247-F307 AromaticContact CG-CG 3.69Å; V250-F307 HydrophobicContact CG2-CD1 3.97Å; V250-F307 HydrophobicContact CG2-CE1 4.3Å; R303-F307 PolarHBondContact O-N 2.86Å; G304-F307 PolarHBondContact O-N 3.44Å; M305-F307 VanDerWaalsContact C-N 3.27Å; M305-F307 PolarHBondContact O-N 2.96Å; F307-H309 PolarHBondContact O-N 3.12Å; F307-H309 VanDerWaalsContact O-N 3.13Å; F307-T310 PolarHBondContact O-N 2.71Å; F307-T310 PolarHBondContact O-OG1 3.01Å; F307-L311 HydrophobicContact CE1-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CD2 4.11Å
308L94.2Very high93Very high7 Ų737.8 Ų37.84%0.03719%0.194CC..Hα-helixtrans-60-28.4177.7-68.3178.3000112.7I244 V250 G304 M305 T310 L311 I315 I335 M337I244-L308 HydrophobicContact CD1-CD2 4.11Å; V250-L308 HydrophobicContact CG1-CD2 4.46Å; V250-L308 HydrophobicContact CG2-CD1 4.47Å; V250-L308 HydrophobicContact CG2-CD2 3.94Å; V250-L308 HydrophobicContact CG2-CG 4.09Å; G304-L308 VanDerWaalsContact O-CG 3.31Å; G304-L308 WeakPolarHBondContact O-CG 3.44Å; G304-L308 PolarHBondContact O-N 3.28Å; M305-L308 PolarHBondContact O-N 2.96Å; M305-L308 HydrophobicContact SD-CD1 4.07Å; L308-T310 VanDerWaalsContact C-N 3.33Å; L308-L311 HydrophobicContact CD2-CD1 3.84Å; L308-L311 PolarHBondContact O-N 3.48Å; L308-I315 HydrophobicContact CD2-CD1 3.72Å; L308-I335 HydrophobicContact CD1-CD1 4.18Å; L308-I335 HydrophobicContact CD1-CG2 4.14Å; L308-M337 HydrophobicContact CD1-CE 3.76Å; L308-M337 HydrophobicContact CD2-CE 4.33Å; L308-M337 HydrophobicContact CD2-SD 4.16Å
309H94.8Very high92.8Very high20 Ų2039.7 Ų39.79%0.09321%0.21CC..THydrogen-bonded Turntrans-77.9-12.3176.8-77.6-167.1000114.5M305 A306 F307 R371 D374 F439M305-H309 WeakPolarHBondContact CE-NE2 3.41Å; M305-H309 WeakPolarHBondContact O-CB 3.47Å; M305-H309 PolarHBondContact O-N 3.42Å; A306-H309 PolarHBondContact O-N 2.85Å; F307-H309 PolarHBondContact O-N 3.12Å; F307-H309 VanDerWaalsContact O-N 3.13Å; H309-R371 VanDerWaalsContact CE1-CA 3.41Å; H309-R371 WeakPolarHBondContact CE1-CA 3.29Å; H309-R371 PolarHBondContact O-NE 3.28Å; H309-R371 PolarHBondContact O-NH2 2.9Å; H309-D374 IonicContact CD2-OD2 3.39Å; H309-D374 IonicContact CE1-OD2 3.66Å; H309-D374 IonicContact NE2-OD2 2.85Å; H309-D374 PolarHBondContact NE2-OD2 2.86Å; H309-F439 AromaticContact CE1-CD2 3.56Å; H309-F439 AromaticContact CE1-CE2 3.54Å; H309-F439 AromaticContact ND1-CD2 3.6Å
310T91.3Very high92.8Very high97 Ų9739.7 Ų39.760%0.59521%0.21SC*.THydrogen-bonded Turntrans-84.8-15.8171.172.90000112.9A306 F307 L308A306-T310 WeakPolarHBondContact O-CG2 3.49Å; A306-T310 PolarHBondContact O-N 3.27Å; F307-T310 PolarHBondContact O-N 2.71Å; F307-T310 PolarHBondContact O-OG1 3.01Å; L308-T310 VanDerWaalsContact C-N 3.33Å
311L89.2Confident92.8Very high28 Ų2840.1 Ų40.115%0.14721%0.212CC..SBendtrans-68.6131.9179.7-57.8179.5000111.2T23 I244 F307 L308 P313 L314 I315T23-L311 HydrophobicContact CG2-CD2 3.79Å; I244-L311 HydrophobicContact CD1-CD1 3.75Å; F307-L311 HydrophobicContact CE1-CD2 4.46Å; F307-L311 HydrophobicContact CZ-CD2 4.11Å; L308-L311 HydrophobicContact CD2-CD1 3.84Å; L308-L311 PolarHBondContact O-N 3.48Å; L311-P313 CarbonylContact O-C 3.42Å; L311-L314 PolarHBondContact O-N 3.35Å; L311-I315 HydrophobicContact CD1-CD1 3.97Å; L311-I315 HydrophobicContact CD1-CG1 4.07Å
312E85.5Confident92.8Very high177 Ų17740.1 Ų40.183%0.82721%0.212SC*.SBendtrans-122.2119.4174.9-66.9-168.2171.800110.5
313P87.7Confident92.7Very high95 Ų9545.3 Ų45.362%0.61723%0.232SC*.SBendcis-72.2152.8-7.126.8-28.1000112.5R241 L311R241-P313 PolarHBondContact NH2-O 2.92Å; L311-P313 CarbonylContact O-C 3.42Å
314L91.5Very high92.7Very high49 Ų4941.7 Ų41.726%0.25722%0.219SC..  trans-52151.6173.7-70175.7000111.5R241 L311 P316 R371R241-L314 PolarHBondContact NH2-O 2.66Å; L311-L314 PolarHBondContact O-N 3.35Å; L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.5Å; L314-R371 HydrophobicContact CD1-CG 4.37Å
315I91.1Very high92.8Very high18 Ų1841.7 Ų41.79%0.09222%0.219CC..  trans-69.1115176.1-56.9-177.2000109.1L242 I244 L308 L311 H318 M337 V340L242-I315 HydrophobicContact CD2-CG2 4.05Å; I244-I315 HydrophobicContact CD1-CD1 3.51Å; L308-I315 HydrophobicContact CD2-CD1 3.72Å; L311-I315 HydrophobicContact CD1-CD1 3.97Å; L311-I315 HydrophobicContact CD1-CG1 4.07Å; I315-H318 HydrophobicContact CG2-CB 4.34Å; I315-M337 HydrophobicContact CD1-SD 3.62Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.02Å
316P86.5Confident92.7Very high46 Ų4643.1 Ų43.130%0.29923%0.226SC..THydrogen-bonded Turntrans-68.8152.2179.630.7-34.9000110.2L314 H318 V340L314-P316 VanDerWaalsContact O-CD 3.27Å; L314-P316 WeakPolarHBondContact O-CD 3.5Å; P316-H318 PolarHBondContact O-N 2.97Å; P316-V340 WeakPolarHBondContact O-CG1 3.39Å
317R89.5Confident92.7Very high92 Ų9242 Ų4235%0.34722%0.217SC..THydrogen-bonded Turntrans55.418.7171.6-58.9169.2-68.9-88.63.8116.5E238 K341 S343 R370E238-R317 IonicContact OE1-NH2 3.88Å; E238-R317 PolarHBondContact OE1-NH2 2.73Å; E238-R317 VanDerWaalsContact OE1-NH2 3.09Å; E238-R317 IonicContact OE2-CZ 3.57Å; E238-R317 IonicContact OE2-NH2 2.66Å; E238-R317 PolarHBondContact OE2-NH2 3.14Å; R317-K341 HydrophobicContact CB-CB 4.22Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 WeakPolarHBondContact CD-O 3.41Å; R317-K341 PolarHBondContact NE-O 2.88Å; R317-S343 VanDerWaalsContact CZ-CA 3.47Å; R317-R370 VanDerWaalsContact CA-NH2 3.25Å
318H91.3Very high92.5Very high8 Ų840.4 Ų40.44%0.03721%0.21CC..  trans-66.5134.3164.4176.9-102.3000110.3M305 I315 P316 I335 V340 R370M305-H318 PolarHBondContact SD-CE1 3.39Å; I315-H318 HydrophobicContact CG2-CB 4.34Å; P316-H318 PolarHBondContact O-N 2.97Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.44Å; H318-V340 HydrophobicContact CB-CG2 4.23Å; H318-R370 PolarHBondContact O-NH1 3.05Å; H318-R370 PolarHBondContact O-NH2 3.23Å
319A91.9Very high92Very high40 Ų4043.4 Ų43.433%0.33122%0.224SC..  trans-135.4105.9178.400000108.9N321 S324A319-N321 PolarHBondContact O-N 3.2Å; A319-N321 PolarHBondContact O-ND2 2.97Å; A319-S324 PolarHBondContact O-OG 3.29Å
320L96.1Very high91.4Very high2 Ų245.7 Ų45.71%0.0124%0.237CC..  trans-74.4124-176.9-173.567.2000110.3M305 V325 I335 S377 F378 L381M305-L320 HydrophobicContact CG-CD2 3.84Å; M305-L320 HydrophobicContact SD-CD1 4.29Å; M305-L320 HydrophobicContact SD-CD2 4.1Å; L320-V325 HydrophobicContact CD1-CG2 3.88Å; L320-I335 HydrophobicContact CD1-CD1 4.3Å; L320-I335 HydrophobicContact CD1-CG1 4.29Å; L320-I335 HydrophobicContact CD1-CG2 4.33Å; L320-S377 WeakPolarHBondContact O-CB 3.42Å; L320-F378 HydrophobicContact CD2-CB 4.11Å; L320-L381 HydrophobicContact CD1-CD1 4.06Å; L320-L381 HydrophobicContact CD2-CD1 3.9Å; L320-L381 HydrophobicContact CG-CD1 3.57Å
321N96.6Very high91.3Very high18 Ų1842.2 Ų42.210%0.09621%0.214CC..SBendtrans-159.9174.9174.559.375000109.7A319 R323 S324 A352 W355A319-N321 PolarHBondContact O-N 3.2Å; A319-N321 PolarHBondContact O-ND2 2.97Å; N321-R323 PolarHBondContact O-N 2.81Å; N321-R323 WeakPolarHBondContact OD1-CA 3.33Å; N321-R323 WeakPolarHBondContact OD1-CB 3.22Å; N321-R323 PolarHBondContact OD1-N 3.4Å; N321-S324 PolarHBondContact N-OG 3.07Å; N321-S324 PolarHBondContact O-N 3.31Å; N321-S324 VanDerWaalsContact O-N 3.08Å; N321-S324 PolarHBondContact O-OG 2.87Å; N321-S324 PolarHBondContact OD1-N 3.3Å; N321-S324 VanDerWaalsContact OD1-N 3.16Å; N321-A352 HydrophobicContact CB-CB 4.45Å; N321-W355 HydrophobicContact CB-CB 4.02Å; N321-W355 HydrophobicContact CB-CD2 3.68Å; N321-W355 HydrophobicContact CB-CE3 4.03Å; N321-W355 HydrophobicContact CB-CG 3.66Å
322S96.8Very high91.4Very high0 Ų042.1 Ų42.10%022%0.215CC..THydrogen-bonded Turntrans-68.4-17.7-174.350.30000114.1L277 Y278 W355 L381 E384L277-S322 WeakPolarHBondContact CB-O 3.47Å; L277-S322 PolarHBondContact N-O 2.92Å; Y278-S322 WeakPolarHBondContact CD2-OG 3.43Å; Y278-S322 PolarHBondContact N-O 3.02Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.26Å; S322-L381 VanDerWaalsContact N-CD2 3.31Å; S322-E384 VanDerWaalsContact CB-OE1 3.22Å; S322-E384 WeakPolarHBondContact CB-OE1 3.43Å; S322-E384 VanDerWaalsContact CB-OE2 3.26Å; S322-E384 WeakPolarHBondContact CB-OE2 3.37Å; S322-E384 VanDerWaalsContact OG-CD 3.29Å; S322-E384 PolarHBondContact OG-OE1 3.32Å; S322-E384 PolarHBondContact OG-OE2 3.45Å; S322-E384 VanDerWaalsContact OG-OE2 3.12Å
323R95.2Very high91.9Very high109 Ų10933.7 Ų33.741%0.41118%0.176SC..THydrogen-bonded Turntrans-84.1-22.2173.8-63.8175.5172.778.5-1.4113.1Y278 N321Y278-R323 HydrophobicContact CD2-CG 4.29Å; Y278-R323 VanDerWaalsContact CE2-CZ 3.47Å; Y278-R323 HydrophobicContact CG-CG 3.96Å; Y278-R323 PolarHBondContact OH-NH2 2.83Å; N321-R323 PolarHBondContact O-N 2.81Å; N321-R323 WeakPolarHBondContact OD1-CA 3.33Å; N321-R323 WeakPolarHBondContact OD1-CB 3.22Å; N321-R323 PolarHBondContact OD1-N 3.4Å
324S95.7Very high92.3Very high5 Ų529.8 Ų29.84%0.03515%0.149CC..SBendtrans-91.1317974.20000113.5A319 N321 S336A319-S324 PolarHBondContact O-OG 3.29Å; N321-S324 PolarHBondContact N-OG 3.07Å; N321-S324 PolarHBondContact O-N 3.31Å; N321-S324 VanDerWaalsContact O-N 3.08Å; N321-S324 PolarHBondContact O-OG 2.87Å; N321-S324 PolarHBondContact OD1-N 3.3Å; N321-S324 VanDerWaalsContact OD1-N 3.16Å; S324-S336 WeakPolarHBondContact O-CB 3.34Å; S324-S336 PolarHBondContact O-N 3.4Å
325V97.6Very high92.5Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-114119.5178.6176.50000107.4S276 L277 M301 L320 I327 A333 R334 L381S276-V325 CarbonylContact C-O 3.56Å; S276-V325 WeakPolarHBondContact CA-O 3.31Å; S276-V325 WeakPolarHBondContact CB-O 3.38Å; L277-V325 HydrophobicContact CB-CB 4.13Å; L277-V325 HydrophobicContact CB-CG1 4.2Å; L277-V325 PolarHBondContact N-O 2.77Å; M301-V325 HydrophobicContact CG-CG1 3.96Å; M301-V325 HydrophobicContact CG-CG2 4.18Å; M301-V325 HydrophobicContact SD-CB 4.32Å; M301-V325 HydrophobicContact SD-CG1 3.91Å; M301-V325 HydrophobicContact SD-CG2 3.74Å; L320-V325 HydrophobicContact CD1-CG2 3.88Å; V325-I327 HydrophobicContact CG1-CD1 4.4Å; V325-A333 HydrophobicContact CG1-CB 3.76Å; V325-R334 CarbonylContact C-O 3.35Å; V325-R334 WeakPolarHBondContact CA-O 3.28Å; V325-L381 HydrophobicContact CG2-CD1 4.48Å
326M96.1Very high92.8Very high31 Ų3126.8 Ų26.815%0.15313%0.133CC..EExtended strand (participates in β ladder)trans-103145.9-178.4-53.4-56.6-6800111.2L251 M272 G275 R334L251-M326 HydrophobicContact CD2-CB 3.91Å; L251-M326 HydrophobicContact CD2-CG 3.61Å; M272-M326 HydrophobicContact CB-CB 4.1Å; M272-M326 HydrophobicContact CB-CE 3.9Å; M272-M326 HydrophobicContact CG-CB 3.66Å; M272-M326 HydrophobicContact CG-CE 4.25Å; M272-M326 HydrophobicContact CG-CG 4.28Å; M272-M326 HydrophobicContact SD-CB 4.24Å; G275-M326 WeakPolarHBondContact O-CA 3.26Å; M326-R334 PolarHBondContact N-O 2.92Å; M326-R334 PolarHBondContact O-N 3.27Å
327I94.4Very high93.2Very high0 Ų024.6 Ų24.60%012%0.119CC..EExtended strand (participates in β ladder)trans-108.7120.1179.7-52.3-51.7000109.2Y274 G275 L277 V280 F297 V325 M331 A333Y274-I327 HydrophobicContact CD2-CG2 4.08Å; Y274-I327 HydrophobicContact CG-CG2 4.4Å; G275-I327 PolarHBondContact O-N 2.99Å; L277-I327 HydrophobicContact CB-CD1 4.45Å; L277-I327 HydrophobicContact CD1-CD1 4.42Å; V280-I327 HydrophobicContact CG2-CB 4.28Å; V280-I327 HydrophobicContact CG2-CG1 3.9Å; F297-I327 HydrophobicContact CD1-CD1 4.06Å; F297-I327 HydrophobicContact CE1-CD1 3.7Å; F297-I327 HydrophobicContact CE1-CG1 4.38Å; F297-I327 HydrophobicContact CE1-CG2 4.03Å; F297-I327 HydrophobicContact CZ-CD1 4.01Å; F297-I327 HydrophobicContact CZ-CG1 4.29Å; F297-I327 HydrophobicContact CZ-CG2 4.03Å; V325-I327 HydrophobicContact CG1-CD1 4.4Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
328D89.4Confident93.4Very high7 Ų720.4 Ų20.44%0.03710%0.104CC..  trans-83.6177.117769.417.3000112.8M272 Y274 D330 M331 T332 R334M272-D328 HydrophobicContact SD-CB 3.77Å; Y274-D328 VanDerWaalsContact CD2-O 3.25Å; Y274-D328 WeakPolarHBondContact CD2-O 3.44Å; Y274-D328 WeakPolarHBondContact CE2-O 3.33Å; D328-D330 PolarHBondContact O-N 2.63Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D328-D330 VanDerWaalsContact OD1-N 3.12Å; D328-M331 PolarHBondContact O-N 2.77Å; D328-M331 VanDerWaalsContact O-N 3.11Å; D328-M331 PolarHBondContact OD1-N 3.13Å; D328-T332 PolarHBondContact N-O 3.31Å; D328-T332 VanDerWaalsContact N-O 3.16Å; D328-T332 WeakPolarHBondContact OD1-CA 3.28Å; D328-T332 VanDerWaalsContact OD1-CB 3.26Å; D328-T332 WeakPolarHBondContact OD1-CB 3.31Å; D328-T332 PolarHBondContact OD1-N 2.9Å; D328-R334 IonicContact OD2-CZ 2.81Å; D328-R334 IonicContact OD2-NE 3.96Å; D328-R334 PolarHBondContact OD2-NE 3.09Å; D328-R334 IonicContact OD2-NH2 2.72Å
329E84.1Confident93.5Very high69 Ų6923 Ų2332%0.32212%0.118SC..THydrogen-bonded Turntrans-62.6-25.4-178.667-162.9160.200114P177 P273 M331P177-E329 WeakPolarHBondContact CB-OE1 3.46Å; P177-E329 WeakPolarHBondContact CG-OE1 3.4Å; P273-E329 HydrophobicContact CG-CB 4.04Å; E329-M331 PolarHBondContact O-N 3.39Å
330D82.6Confident93.6Very high68 Ų6821.4 Ų21.436%0.36411%0.105SC..THydrogen-bonded Turntrans-87.112.5178-62.8-41.8000112.1D328 T332D328-D330 PolarHBondContact O-N 2.63Å; D328-D330 PolarHBondContact OD1-N 2.93Å; D328-D330 VanDerWaalsContact OD1-N 3.12Å; D330-T332 PolarHBondContact O-N 2.8Å
331M88.5Confident93.4Very high24 Ų2423.9 Ų23.912%0.11812%0.115CC..SBendtrans57.136.7-176.7-56.4-59-7700112.7Y274 F287 Q293 K296 F297 I327 D328 E329Y274-M331 HydrophobicContact CD2-SD 3.92Å; Y274-M331 HydrophobicContact CE1-SD 4.39Å; Y274-M331 HydrophobicContact CE2-SD 3.45Å; Y274-M331 WeakPolarHBondContact CE2-SD 3.27Å; F287-M331 HydrophobicContact CB-CE 4.27Å; F287-M331 HydrophobicContact CD1-CE 3.16Å; F287-M331 HydrophobicContact CD2-CE 3.54Å; F287-M331 HydrophobicContact CE1-CE 3.14Å; F287-M331 HydrophobicContact CE2-CE 3.56Å; F287-M331 HydrophobicContact CG-CE 3.34Å; F287-M331 HydrophobicContact CZ-CE 3.37Å; Q293-M331 PolarHBondContact NE2-O 3.12Å; K296-M331 PolarHBondContact NZ-O 2.99Å; F297-M331 VanDerWaalsContact CE1-O 3.24Å; F297-M331 WeakPolarHBondContact CE1-O 3.06Å; F297-M331 HydrophobicContact CZ-CE 4.19Å; I327-M331 HydrophobicContact CG2-SD 4.27Å; D328-M331 PolarHBondContact O-N 2.77Å; D328-M331 VanDerWaalsContact O-N 3.11Å; D328-M331 PolarHBondContact OD1-N 3.13Å; E329-M331 PolarHBondContact O-N 3.39Å
332T91.1Very high93.2Very high26 Ų2623.1 Ų23.116%0.1611%0.111CC..  trans-102.2130.2177.4-60.60000110.3N249 K296 D300 D328 D330N249-T332 WeakPolarHBondContact ND2-CG2 3.46Å; K296-T332 PolarHBondContact NZ-OG1 2.87Å; D300-T332 WeakPolarHBondContact OD2-CA 3.29Å; D328-T332 PolarHBondContact N-O 3.31Å; D328-T332 VanDerWaalsContact N-O 3.16Å; D328-T332 WeakPolarHBondContact OD1-CA 3.28Å; D328-T332 VanDerWaalsContact OD1-CB 3.26Å; D328-T332 WeakPolarHBondContact OD1-CB 3.31Å; D328-T332 PolarHBondContact OD1-N 2.9Å; D330-T332 PolarHBondContact O-N 2.8Å
333A95.5Very high92.9Very high0 Ų025.3 Ų25.30%013%0.126CC..EExtended strand (participates in β ladder)trans-80.4131.7176.100000110.4N249 F297 D300 M301 V325 I327N249-A333 PolarHBondContact ND2-O 2.96Å; N249-A333 VanDerWaalsContact ND2-O 3.1Å; F297-A333 HydrophobicContact CB-CB 4.38Å; F297-A333 HydrophobicContact CD1-CB 3.87Å; F297-A333 HydrophobicContact CG-CB 4.45Å; D300-A333 HydrophobicContact CB-CB 3.75Å; D300-A333 PolarHBondContact OD2-N 2.7Å; D300-A333 VanDerWaalsContact OD2-N 3.14Å; M301-A333 HydrophobicContact CG-CB 4.15Å; V325-A333 HydrophobicContact CG1-CB 3.76Å; I327-A333 HydrophobicContact CD1-CB 3.74Å
334R96.2Very high92.6Very high14 Ų1421.3 Ų21.35%0.05311%0.112CC..EExtended strand (participates in β ladder)trans-130.9127.1-177.5-58.5179.5160.6-118.9-9.6111P248 N249 L251 V325 M326 D328 S336P248-R334 WeakPolarHBondContact O-CG 3.47Å; P248-R334 PolarHBondContact O-NE 2.98Å; P248-R334 PolarHBondContact O-NH2 3.13Å; N249-R334 CarbonylContact O-C 3.38Å; N249-R334 WeakPolarHBondContact O-CA 3.48Å; L251-R334 HydrophobicContact CB-CB 3.84Å; V325-R334 CarbonylContact C-O 3.35Å; V325-R334 WeakPolarHBondContact CA-O 3.28Å; M326-R334 PolarHBondContact N-O 2.92Å; M326-R334 PolarHBondContact O-N 3.27Å; D328-R334 IonicContact OD2-CZ 2.81Å; D328-R334 IonicContact OD2-NE 3.96Å; D328-R334 PolarHBondContact OD2-NE 3.09Å; D328-R334 IonicContact OD2-NH2 2.72Å; R334-S336 PolarHBondContact O-N 3.37Å
335I97.3Very high92.2Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-77.7118.1179.5-56.1172000109.1N249 L251 M305 L308 H318 L320 M337N249-I335 PolarHBondContact O-N 3.06Å; L251-I335 PolarHBondContact N-O 3.43Å; M305-I335 HydrophobicContact CB-CD1 4.46Å; M305-I335 HydrophobicContact CG-CD1 3.63Å; M305-I335 HydrophobicContact SD-CD1 3.65Å; L308-I335 HydrophobicContact CD1-CD1 4.18Å; L308-I335 HydrophobicContact CD1-CG2 4.14Å; H318-I335 WeakPolarHBondContact NE2-CG2 3.44Å; L320-I335 HydrophobicContact CD1-CD1 4.3Å; L320-I335 HydrophobicContact CD1-CG1 4.29Å; L320-I335 HydrophobicContact CD1-CG2 4.33Å; I335-M337 HydrophobicContact CB-CE 4.23Å; I335-M337 HydrophobicContact CG2-CE 3.64Å; I335-M337 WeakPolarHBondContact O-CE 3.36Å; I335-M337 PolarHBondContact O-N 2.84Å
336S97Very high91.3Very high4 Ų424.3 Ų24.33%0.02813%0.129CC..EExtended strand (participates in β ladder)trans-74.2113.2-175.2176.60000112.4S324 R334 A338 D339S324-S336 WeakPolarHBondContact O-CB 3.34Å; S324-S336 PolarHBondContact O-N 3.4Å; R334-S336 PolarHBondContact O-N 3.37Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-A338 PolarHBondContact OG-N 3.49Å; S336-D339 WeakPolarHBondContact CB-OD2 3.31Å; S336-D339 PolarHBondContact O-N 3.38Å; S336-D339 PolarHBondContact OG-OD2 3.32Å
337M95.1Very high90.4Very high0 Ų027.9 Ų27.90%015%0.154CC..G310 helixtrans-72.4-19.6171.9-61.6-60.596.500112L242 I244 V250 L251 V253 L308 I315 I335 D339 V340L242-M337 HydrophobicContact CB-CB 4.07Å; L242-M337 WeakPolarHBondContact O-CB 3.48Å; I244-M337 HydrophobicContact CD1-CG 4.47Å; I244-M337 HydrophobicContact CD1-SD 4.06Å; V250-M337 HydrophobicContact CG1-CE 4.07Å; V250-M337 HydrophobicContact CG1-CG 3.53Å; V250-M337 HydrophobicContact CG1-SD 3.97Å; L251-M337 WeakPolarHBondContact O-CB 3.46Å; L251-M337 WeakPolarHBondContact O-CG 3.38Å; L251-M337 PolarHBondContact O-N 3.47Å; V253-M337 HydrophobicContact CG2-CB 4.28Å; L308-M337 HydrophobicContact CD1-CE 3.76Å; L308-M337 HydrophobicContact CD2-CE 4.33Å; L308-M337 HydrophobicContact CD2-SD 4.16Å; I315-M337 HydrophobicContact CD1-SD 3.62Å; I335-M337 HydrophobicContact CB-CE 4.23Å; I335-M337 HydrophobicContact CG2-CE 3.64Å; I335-M337 WeakPolarHBondContact O-CE 3.36Å; I335-M337 PolarHBondContact O-N 2.84Å; M337-D339 PolarHBondContact O-N 3.45Å; M337-V340 WeakPolarHBondContact O-CB 3.29Å; M337-V340 PolarHBondContact O-N 3.46Å; M337-V340 HydrophobicContact SD-CG2 4.42Å
338A93.7Very high89.6Confident4 Ų432.3 Ų32.33%0.03320%0.2CC..G310 helixtrans-70.8-12.8174.700000113.4K220 V253 L267 T269 S336K220-A338 PolarHBondContact NZ-O 2.71Å; V253-A338 HydrophobicContact CG2-CB 4.2Å; L267-A338 HydrophobicContact CD1-CB 4.39Å; T269-A338 HydrophobicContact CG2-CB 4.09Å; S336-A338 PolarHBondContact O-N 2.91Å; S336-A338 PolarHBondContact OG-N 3.49Å
339D93.2Very high89.3Confident62 Ų6239.4 Ų39.433%0.33223%0.226SC..G310 helixtrans-97.6-1.1176.7-64.1-49.9000114.1K220 S336 M337 K341K220-D339 IonicContact NZ-OD1 2.89Å; K220-D339 PolarHBondContact NZ-OD1 3.14Å; S336-D339 WeakPolarHBondContact CB-OD2 3.31Å; S336-D339 PolarHBondContact O-N 3.38Å; S336-D339 PolarHBondContact OG-OD2 3.32Å; M337-D339 PolarHBondContact O-N 3.45Å; D339-K341 PolarHBondContact O-N 2.88Å
340V93.7Very high89.3Confident7 Ų740.1 Ų40.14%0.04223%0.231CC..SBendtrans-66.8130.2167.2179.40000109.3L242 I315 P316 H318 M337L242-V340 HydrophobicContact CD1-CB 4.33Å; L242-V340 HydrophobicContact CD2-CB 3.87Å; L242-V340 HydrophobicContact CD2-CG1 3.93Å; L242-V340 HydrophobicContact CD2-CG2 4.01Å; I315-V340 HydrophobicContact CG2-CG1 3.81Å; I315-V340 HydrophobicContact CG2-CG2 4.02Å; P316-V340 WeakPolarHBondContact O-CG1 3.39Å; H318-V340 HydrophobicContact CB-CG2 4.23Å; M337-V340 WeakPolarHBondContact O-CB 3.29Å; M337-V340 PolarHBondContact O-N 3.46Å; M337-V340 HydrophobicContact SD-CG2 4.42Å
341K92.5Very high89.6Confident54 Ų5440.8 Ų40.824%0.23523%0.229CC..PPolyproline II helixtrans-81.3136.4178.4-68.2-177.3177.9177.70111.6R317 D339 Q345 R349R317-K341 HydrophobicContact CB-CB 4.22Å; R317-K341 WeakPolarHBondContact CB-O 3.49Å; R317-K341 WeakPolarHBondContact CD-O 3.41Å; R317-K341 PolarHBondContact NE-O 2.88Å; D339-K341 PolarHBondContact O-N 2.88Å; K341-Q345 VanDerWaalsContact CA-OE1 3.32Å; K341-Q345 HydrophobicContact CB-CB 4.37Å; K341-R349 PolarHBondContact NZ-O 3.01Å
342F91.9Very high89.8Confident1 Ų140.4 Ų40.40%0.00423%0.229CC..PPolyproline II helixtrans-72.8158.8169.6-65.4-85.5000112L222 F235 E238 C239 L242 L267 F344 Q345L222-F342 HydrophobicContact CD1-CD2 4.17Å; L222-F342 HydrophobicContact CD1-CE2 4.04Å; F235-F342 AromaticContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD1 3.9Å; F235-F342 HydrophobicContact CD2-CD2 4.19Å; F235-F342 AromaticContact CD2-CE1 3.56Å; F235-F342 HydrophobicContact CD2-CE1 3.56Å; F235-F342 AromaticContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CE2 3.86Å; F235-F342 HydrophobicContact CD2-CG 4.2Å; F235-F342 AromaticContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CD2-CZ 3.56Å; F235-F342 HydrophobicContact CE2-CD2 4.35Å; F235-F342 AromaticContact CE2-CE1 3.89Å; F235-F342 HydrophobicContact CE2-CE1 3.89Å; F235-F342 AromaticContact CE2-CE2 3.64Å; F235-F342 HydrophobicContact CE2-CE2 3.64Å; F235-F342 AromaticContact CE2-CZ 3.39Å; F235-F342 HydrophobicContact CE2-CZ 3.39Å; E238-F342 HydrophobicContact CB-CD1 3.67Å; E238-F342 HydrophobicContact CB-CE1 3.82Å; E238-F342 HydrophobicContact CG-CD1 4.5Å; E238-F342 VanDerWaalsContact OE2-CA 3.28Å; E238-F342 WeakPolarHBondContact OE2-CA 3.38Å; E238-F342 WeakPolarHBondContact OE2-CD1 3.3Å; C239-F342 HydrophobicContact CB-CE1 4.09Å; C239-F342 HydrophobicContact CB-CZ 4.25Å; L242-F342 HydrophobicContact CD1-CE1 4.2Å; L242-F342 HydrophobicContact CD1-CZ 3.87Å; L267-F342 HydrophobicContact CD1-CE2 3.95Å; L267-F342 HydrophobicContact CD1-CZ 4.43Å; L267-F342 HydrophobicContact CD2-CE2 4.14Å; L267-F342 HydrophobicContact CD2-CZ 3.94Å; L267-F342 HydrophobicContact CG-CE2 4.38Å; F342-F344 HydrophobicContact CB-CD1 4.11Å; F342-F344 HydrophobicContact CB-CD2 4.4Å; F342-F344 HydrophobicContact CB-CE1 3.64Å; F342-F344 HydrophobicContact CB-CE2 3.95Å; F342-F344 HydrophobicContact CB-CG 4.48Å; F342-F344 HydrophobicContact CB-CZ 3.54Å; F342-F344 HydrophobicContact CD1-CE1 4.47Å; F342-F344 HydrophobicContact CD1-CZ 4.45Å; F342-F344 HydrophobicContact CD2-CZ 4.31Å; F342-F344 HydrophobicContact CG-CE1 4.16Å; F342-F344 AromaticContact CG-CZ 3.86Å; F342-F344 HydrophobicContact CG-CZ 3.86Å; F342-F344 PolarHBondContact O-N 3.23Å; F342-F344 VanDerWaalsContact O-N 3.13Å; F342-Q345 HydrophobicContact CB-CG 4.1Å; F342-Q345 WeakPolarHBondContact O-CB 3.3Å; F342-Q345 PolarHBondContact O-N 3.48Å
343S91Very high90Very high46 Ų4639.3 Ų39.332%0.32222%0.222SC..THydrogen-bonded Turntrans-53.5-33.4-179.249.10000114.7E238 R317E238-S343 WeakPolarHBondContact OE1-CB 3.47Å; E238-S343 PolarHBondContact OE1-N 2.9Å; E238-S343 PolarHBondContact OE1-OG 2.8Å; E238-S343 PolarHBondContact OE2-N 2.92Å; E238-S343 VanDerWaalsContact OE2-N 3.12Å; R317-S343 VanDerWaalsContact CZ-CA 3.47Å
344F88.9Confident90Very high26 Ų2639.5 Ų39.511%0.11422%0.224CC..THydrogen-bonded Turntrans-88.8-5.4179.954.5-100.6000114.3V224 W227 K231 D234 F235 F342V224-F344 HydrophobicContact CG1-CD2 3.89Å; V224-F344 HydrophobicContact CG1-CE2 4.26Å; V224-F344 HydrophobicContact CG2-CD2 4.14Å; V224-F344 HydrophobicContact CG2-CE2 3.77Å; W227-F344 HydrophobicContact CH2-CZ 4.3Å; W227-F344 HydrophobicContact CZ3-CE2 4.01Å; W227-F344 AromaticContact CZ3-CZ 3.93Å; W227-F344 HydrophobicContact CZ3-CZ 3.93Å; K231-F344 HydrophobicContact CB-CD1 4.08Å; K231-F344 HydrophobicContact CB-CG 4.23Å; K231-F344 HydrophobicContact CD-CB 4.16Å; K231-F344 HydrophobicContact CD-CG 4.42Å; K231-F344 HydrophobicContact CG-CB 3.85Å; K231-F344 HydrophobicContact CG-CD1 4.26Å; K231-F344 HydrophobicContact CG-CG 4.04Å; K231-F344 WeakPolarHBondContact O-CE1 3.31Å; D234-F344 HydrophobicContact CB-CD1 4.16Å; D234-F344 HydrophobicContact CB-CE1 4.37Å; F235-F344 HydrophobicContact CB-CE1 3.87Å; F235-F344 HydrophobicContact CB-CZ 4Å; F235-F344 HydrophobicContact CD2-CZ 4.07Å; F235-F344 HydrophobicContact CG-CZ 4.46Å; F342-F344 HydrophobicContact CB-CD1 4.11Å; F342-F344 HydrophobicContact CB-CD2 4.4Å; F342-F344 HydrophobicContact CB-CE1 3.64Å; F342-F344 HydrophobicContact CB-CE2 3.95Å; F342-F344 HydrophobicContact CB-CG 4.48Å; F342-F344 HydrophobicContact CB-CZ 3.54Å; F342-F344 HydrophobicContact CD1-CE1 4.47Å; F342-F344 HydrophobicContact CD1-CZ 4.45Å; F342-F344 HydrophobicContact CD2-CZ 4.31Å; F342-F344 HydrophobicContact CG-CE1 4.16Å; F342-F344 AromaticContact CG-CZ 3.86Å; F342-F344 HydrophobicContact CG-CZ 3.86Å; F342-F344 PolarHBondContact O-N 3.23Å; F342-F344 VanDerWaalsContact O-N 3.13Å
345Q85.6Confident90.1Very high34 Ų3439.2 Ų39.216%0.15922%0.223CC..SBendtrans-85.8120.5-176.1-75.5-176-14.600112.2L222 K341 F342L222-Q345 VanDerWaalsContact CD2-NE2 3.3Å; K341-Q345 VanDerWaalsContact CA-OE1 3.32Å; K341-Q345 HydrophobicContact CB-CB 4.37Å; F342-Q345 HydrophobicContact CB-CG 4.1Å; F342-Q345 WeakPolarHBondContact O-CB 3.3Å; F342-Q345 PolarHBondContact O-N 3.48Å
346C78.8Confident90Very high33 Ų3340 Ų4022%0.22323%0.227CC..SBendtrans43.854170.5-60.40000113.3G348 R349 Y351C346-G348 PolarHBondContact O-N 3.49Å; C346-R349 HydrophobicContact CB-CB 4.16Å; C346-R349 PolarHBondContact O-N 3.36Å; C346-Y351 HydrophobicContact CB-CE2 4.04Å
347P78Confident89.9Confident107 Ų10739.8 Ų39.870%0.69523%0.226SC*.THydrogen-bonded Turntrans-56.8131.4-175.824.9-34.2000110.4R349P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å
348G76.6Confident90Very high93 Ų9340 Ų4096%0.95923%0.228SC*.THydrogen-bonded Turntrans75.12.4-179.400000116.2C346C346-G348 PolarHBondContact O-N 3.49Å
349R83.2Confident90Very high155 Ų15540.6 Ų40.659%0.58523%0.23SC*.  trans-102.9128.2179.6-60.1-175.7178.9-169.8-5.1112.6K341 C346 P347 Y351K341-R349 PolarHBondContact NZ-O 3.01Å; C346-R349 HydrophobicContact CB-CB 4.16Å; C346-R349 PolarHBondContact O-N 3.36Å; P347-R349 VanDerWaalsContact C-N 3.29Å; P347-R349 PolarHBondContact O-N 3.43Å; R349-Y351 HydrophobicContact CB-CE2 4.24Å; R349-Y351 WeakPolarHBondContact CD-OH 3.39Å
350M85.5Confident90Very high85 Ų8538.9 Ų38.942%0.41922%0.224SC..  trans-108.2126172.8-168.663.775.200110.3P353 V356 L361M350-P353 HydrophobicContact CG-CB 4.06Å; M350-V356 HydrophobicContact CE-CG1 4.28Å; M350-V356 HydrophobicContact CE-CG2 3.97Å; M350-V356 HydrophobicContact CG-CG2 4.2Å; M350-V356 HydrophobicContact SD-CG2 3.8Å; M350-L361 HydrophobicContact CE-CD2 4.38Å; M350-L361 HydrophobicContact CG-CD2 4.34Å
351Y87.1Confident90Very high82 Ų8240.8 Ų40.832%0.32223%0.234SC..SBendtrans-104.3-14.6-177.9-67-70000113.8H203 C346 R349 P353 N397H203-Y351 AromaticContact CE1-CE1 3.65Å; H203-Y351 AromaticContact CE1-CZ 3.91Å; H203-Y351 AromaticContact NE2-CE1 3.47Å; H203-Y351 WeakPolarHBondContact NE2-CE1 3.25Å; H203-Y351 AromaticContact NE2-CZ 3.24Å; H203-Y351 PolarHBondContact NE2-OH 3.19Å; C346-Y351 HydrophobicContact CB-CE2 4.04Å; R349-Y351 HydrophobicContact CB-CE2 4.24Å; R349-Y351 WeakPolarHBondContact CD-OH 3.39Å; Y351-P353 VanDerWaalsContact C-CD 3.41Å; Y351-N397 PolarHBondContact O-ND2 3.19Å; Y351-N397 VanDerWaalsContact O-ND2 3.16Å
352A93Very high90Very high15 Ų1543.7 Ų43.712%0.12425%0.249CC..  trans-132.153.6-178.800000111N321 A354 W355 V356N321-A352 HydrophobicContact CB-CB 4.45Å; A352-A354 PolarHBondContact O-N 2.99Å; A352-A354 VanDerWaalsContact O-N 3.17Å; A352-W355 HydrophobicContact CB-CE3 3.78Å; A352-W355 HydrophobicContact CB-CZ3 4.06Å; A352-W355 PolarHBondContact O-N 3.19Å; A352-V356 WeakPolarHBondContact O-CG2 3.35Å
353P95.5Very high89.9Confident3 Ų349 Ų492%0.01927%0.272CS..G310 helixtrans-64.2-20.8-174.324.8-30000113.4M350 Y351 W355 V356 L361 N397 I400M350-P353 HydrophobicContact CG-CB 4.06Å; Y351-P353 VanDerWaalsContact C-CD 3.41Å; P353-W355 PolarHBondContact O-N 2.94Å; P353-V356 PolarHBondContact O-N 3.09Å; P353-L361 HydrophobicContact CB-CD2 4.39Å; P353-N397 HydrophobicContact CG-CB 4.1Å; P353-N397 WeakPolarHBondContact CG-O 3.4Å; P353-I400 HydrophobicContact CB-CG2 4.28Å; P353-I400 HydrophobicContact CG-CB 4.18Å; P353-I400 HydrophobicContact CG-CG2 4.12Å
354A96.7Very high89.8Confident4 Ų453.7 Ų53.73%0.03329%0.286CS..G310 helixtrans-58.7-29.217900000114.1A352 P391 F392 I400A352-A354 PolarHBondContact O-N 2.99Å; A352-A354 VanDerWaalsContact O-N 3.17Å; A354-P391 HydrophobicContact CB-CB 4.23Å; A354-F392 HydrophobicContact CB-CD2 4Å; A354-I400 HydrophobicContact CB-CD1 4.39Å; A354-I400 HydrophobicContact CB-CG2 3.96Å
355W97Very high89.6Confident8 Ų857.4 Ų57.43%0.0331%0.313CS..G310 helixtrans-95.4-3.8177.6-64.2-97.6000113N321 S322 A352 P353 S377 V380 E384 V390 P391N321-W355 HydrophobicContact CB-CB 4.02Å; N321-W355 HydrophobicContact CB-CD2 3.68Å; N321-W355 HydrophobicContact CB-CE3 4.03Å; N321-W355 HydrophobicContact CB-CG 3.66Å; S322-W355 WeakPolarHBondContact OG-CZ2 3.26Å; A352-W355 HydrophobicContact CB-CE3 3.78Å; A352-W355 HydrophobicContact CB-CZ3 4.06Å; A352-W355 PolarHBondContact O-N 3.19Å; P353-W355 PolarHBondContact O-N 2.94Å; W355-S377 WeakPolarHBondContact O-CA 3.42Å; W355-S377 VanDerWaalsContact O-CB 3.25Å; W355-S377 WeakPolarHBondContact O-CB 3.46Å; W355-S377 PolarHBondContact O-OG 3.34Å; W355-V380 HydrophobicContact CB-CG1 4.47Å; W355-V380 HydrophobicContact CG-CB 4.44Å; W355-V380 HydrophobicContact CG-CG1 4Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.25Å; W355-E384 PolarHBondContact NE1-OE2 2.99Å; W355-V390 HydrophobicContact CH2-CG1 4.41Å; W355-P391 HydrophobicContact CZ2-CG 4.18Å
356V95.7Very high89.6Confident16 Ų1663 Ų6310%0.09734%0.339CS..SBendtrans-89.6139.9-171.8-1760000110.3M350 A352 P353 A360 L361 W376M350-V356 HydrophobicContact CE-CG1 4.28Å; M350-V356 HydrophobicContact CE-CG2 3.97Å; M350-V356 HydrophobicContact CG-CG2 4.2Å; M350-V356 HydrophobicContact SD-CG2 3.8Å; A352-V356 WeakPolarHBondContact O-CG2 3.35Å; P353-V356 PolarHBondContact O-N 3.09Å; V356-A360 HydrophobicContact CG1-CB 3.78Å; V356-L361 HydrophobicContact CB-CD1 4.45Å; V356-L361 HydrophobicContact CB-CD2 4Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.76Å; V356-W376 PolarHBondContact O-NE1 3.11Å
357A96.2Very high90.2Very high1 Ų166.7 Ų66.71%0.00836%0.356CS..  trans-63143.3175.700000111.7E359 A360 L361 A373 W376A357-E359 VanDerWaalsContact C-N 3.29Å; A357-E359 WeakPolarHBondContact CB-OE1 3.37Å; A357-E359 WeakPolarHBondContact CB-OE2 3.35Å; A357-E359 PolarHBondContact O-N 3.12Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.37Å; A357-A360 PolarHBondContact O-N 3.16Å; A357-L361 PolarHBondContact O-N 2.86Å; A357-A373 HydrophobicContact CB-CB 4.01Å; A357-W376 HydrophobicContact CB-CB 3.67Å; A357-W376 HydrophobicContact CB-CD2 4.2Å; A357-W376 HydrophobicContact CB-CG 3.7Å
358P96Very high90.8Very high4 Ų462.4 Ų62.43%0.02633%0.329CS..Hα-helixtrans-54.1-44.1-178.4-24.932.4000112.9A360 L361 Q362 W376 V404P358-A360 VanDerWaalsContact C-N 3.28Å; P358-A360 PolarHBondContact O-N 2.79Å; P358-L361 PolarHBondContact O-N 3.3Å; P358-Q362 WeakPolarHBondContact O-CG 3.46Å; P358-Q362 PolarHBondContact O-N 3.34Å; P358-W376 HydrophobicContact CG-CH2 3.86Å; P358-W376 HydrophobicContact CG-CZ2 3.83Å; P358-W376 HydrophobicContact CG-CZ3 4.41Å; P358-V404 HydrophobicContact CB-CG1 4.46Å; P358-V404 HydrophobicContact CG-CG1 4.18Å
359E94.2Very high91.6Very high16 Ų1662 Ų628%0.07530%0.304CS..Hα-helixtrans-67.6-28.9-179.473.6-74.4176.200113.1A357 L361 Q362 K363 T368 P433 R436A357-E359 VanDerWaalsContact C-N 3.29Å; A357-E359 WeakPolarHBondContact CB-OE1 3.37Å; A357-E359 WeakPolarHBondContact CB-OE2 3.35Å; A357-E359 PolarHBondContact O-N 3.12Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 2.86Å; E359-Q362 PolarHBondContact O-N 3.26Å; E359-K363 WeakPolarHBondContact O-CB 3.47Å; E359-K363 PolarHBondContact O-N 3.14Å; E359-T368 HydrophobicContact CG-CG2 4.49Å; E359-P433 HydrophobicContact CG-CG 3.86Å; E359-R436 IonicContact OE1-CZ 3.4Å; E359-R436 IonicContact OE1-NH1 3.48Å; E359-R436 PolarHBondContact OE1-NH1 2.72Å; E359-R436 IonicContact OE1-NH2 2.77Å; E359-R436 PolarHBondContact OE1-NH2 3Å; E359-R436 IonicContact OE2-CZ 3.53Å; E359-R436 IonicContact OE2-NH1 3.6Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.18Å
360A93.7Very high92.1Very high27 Ų2758.4 Ų58.422%0.22329%0.291CS..Hα-helixtrans-75.9-15.9177.800000112.8V356 A357 P358 T368 A373V356-A360 HydrophobicContact CG1-CB 3.78Å; A357-A360 HydrophobicContact CB-CB 4.25Å; A357-A360 WeakPolarHBondContact O-CB 3.37Å; A357-A360 PolarHBondContact O-N 3.16Å; P358-A360 VanDerWaalsContact C-N 3.28Å; P358-A360 PolarHBondContact O-N 2.79Å; A360-T368 HydrophobicContact CB-CG2 3.8Å; A360-A373 HydrophobicContact CB-CB 4.07Å
361L93.5Very high92.5Very high47 Ų4758.7 Ų58.725%0.24629%0.287CS..Hα-helixtrans-88.8-23.5170.9-64.7174.5000112.5M350 P353 V356 A357 P358 E359 V404 A405M350-L361 HydrophobicContact CE-CD2 4.38Å; M350-L361 HydrophobicContact CG-CD2 4.34Å; P353-L361 HydrophobicContact CB-CD2 4.39Å; V356-L361 HydrophobicContact CB-CD1 4.45Å; V356-L361 HydrophobicContact CB-CD2 4Å; V356-L361 HydrophobicContact CB-CG 4.13Å; V356-L361 HydrophobicContact CG1-CD2 3.71Å; V356-L361 HydrophobicContact CG1-CG 3.76Å; A357-L361 PolarHBondContact O-N 2.86Å; P358-L361 PolarHBondContact O-N 3.3Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 2.86Å; L361-V404 HydrophobicContact CD1-CB 4.02Å; L361-V404 HydrophobicContact CD1-CG1 3.83Å; L361-A405 HydrophobicContact CB-CB 3.85Å; L361-A405 HydrophobicContact CD1-CB 4.34Å
362Q92.1Very high92.9Very high115 Ų11555.3 Ų55.354%0.53728%0.275SS..Hα-helixtrans-91.9-37-177.8-67.3171.5500113.3P358 E359 A405P358-Q362 WeakPolarHBondContact O-CG 3.46Å; P358-Q362 PolarHBondContact O-N 3.34Å; E359-Q362 PolarHBondContact O-N 3.26Å; Q362-A405 HydrophobicContact CG-CB 4.21Å; Q362-A405 PolarHBondContact NE2-O 3.01Å
363K90.4Very high93.1Very high113 Ų11354.7 Ų54.749%0.49127%0.271SS..SBendtrans-100.9162.3-171.7-63.4-178.9-178-179.20111.6E359 D367E359-K363 WeakPolarHBondContact O-CB 3.47Å; E359-K363 PolarHBondContact O-N 3.14Å; K363-D367 HydrophobicContact CB-CB 4.32Å
364K87.8Confident93.2Very high144 Ų14454.9 Ų54.963%0.62627%0.272SS*.  trans-67.8153.1169-62-177.3179.6174.60110.1E366 D367 T368K364-E366 VanDerWaalsContact CB-OE2 3.3Å; K364-E366 WeakPolarHBondContact CB-OE2 3.49Å; K364-E366 PolarHBondContact O-N 3.33Å; K364-E366 VanDerWaalsContact O-N 3.15Å; K364-D367 PolarHBondContact O-N 2.89Å; K364-D367 VanDerWaalsContact O-N 3.08Å; K364-T368 PolarHBondContact O-N 3.02Å; K364-T368 PolarHBondContact O-OG1 2.85Å
365P85.2Confident93.2Very high104 Ų10454.7 Ų54.768%0.67527%0.27SS*.G310 helixtrans-55.2-32.1179.1-27.436.5000114D367 T368P365-D367 VanDerWaalsContact C-N 3.34Å; P365-T368 PolarHBondContact O-N 3.43Å
366E85.9Confident93.3Very high151 Ų15154.5 Ų54.571%0.70627%0.269SS*.G310 helixtrans-71.7-28.8-179.2-56.473.9-153.200112.7K364K364-E366 VanDerWaalsContact CB-OE2 3.3Å; K364-E366 WeakPolarHBondContact CB-OE2 3.49Å; K364-E366 PolarHBondContact O-N 3.33Å; K364-E366 VanDerWaalsContact O-N 3.15Å
367D90.5Very high93.4Very high110 Ų11054.1 Ų54.159%0.58827%0.267SS*.G310 helixtrans-92.9-2.3-178.8-58.3-40000112.5K363 K364 P365K363-D367 HydrophobicContact CB-CB 4.32Å; K364-D367 PolarHBondContact O-N 2.89Å; K364-D367 VanDerWaalsContact O-N 3.08Å; P365-D367 VanDerWaalsContact C-N 3.34Å
368T90.7Very high93.5Very high18 Ų1854.1 Ų54.111%0.1127%0.267CS..SBendtrans-97.4127.8-174.9-58.10000110.4E359 A360 K364 P365 R370 A373E359-T368 HydrophobicContact CG-CG2 4.49Å; A360-T368 HydrophobicContact CB-CG2 3.8Å; K364-T368 PolarHBondContact O-N 3.02Å; K364-T368 PolarHBondContact O-OG1 2.85Å; P365-T368 PolarHBondContact O-N 3.43Å; T368-R370 VanDerWaalsContact C-N 3.31Å; T368-R370 PolarHBondContact O-N 3.05Å; T368-A373 HydrophobicContact CG2-CB 4.18Å
369N93.4Very high93.5Very high84 Ų8453.9 Ų53.945%0.44927%0.266SS..  trans-68.893.6168-177.2-13.6000109.6R371 S372 A373N369-R371 VanDerWaalsContact C-N 3.29Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 PolarHBondContact OD1-N 3.45Å; N369-S372 PolarHBondContact ND2-OG 2.92Å; N369-S372 PolarHBondContact O-N 3.28Å; N369-S372 PolarHBondContact OD1-N 3.4Å; N369-A373 PolarHBondContact O-N 3.23Å
370R93.3Very high93.7Very high79 Ų7953.1 Ų53.130%0.29826%0.262SS..Hα-helixtrans-57.9-39.7-174.1-172.256.1131.9140.72113.5R317 H318 T368 S372 A373 D374R317-R370 VanDerWaalsContact CA-NH2 3.25Å; H318-R370 PolarHBondContact O-NH1 3.05Å; H318-R370 PolarHBondContact O-NH2 3.23Å; T368-R370 VanDerWaalsContact C-N 3.31Å; T368-R370 PolarHBondContact O-N 3.05Å; R370-S372 PolarHBondContact O-N 3.03Å; R370-A373 PolarHBondContact O-N 3.3Å; R370-D374 IonicContact NH1-OD1 2.72Å; R370-D374 PolarHBondContact NH1-OD1 3Å; R370-D374 VanDerWaalsContact O-CG 3.3Å; R370-D374 PolarHBondContact O-N 3.2Å
371R95.1Very high93.9Very high91 Ų9151.9 Ų51.934%0.34325%0.252SS..Hα-helixtrans-64.6-43.6-178.8-64.8-173.8172.792.1-4.9111.1H309 L314 N369 D374 M375H309-R371 VanDerWaalsContact CE1-CA 3.41Å; H309-R371 WeakPolarHBondContact CE1-CA 3.29Å; H309-R371 PolarHBondContact O-NE 3.28Å; H309-R371 PolarHBondContact O-NH2 2.9Å; L314-R371 HydrophobicContact CD1-CG 4.37Å; N369-R371 VanDerWaalsContact C-N 3.29Å; N369-R371 PolarHBondContact O-N 3Å; N369-R371 PolarHBondContact OD1-N 3.45Å; R371-D374 PolarHBondContact O-N 3.44Å; R371-M375 PolarHBondContact O-N 3Å; R371-M375 VanDerWaalsContact O-N 3.14Å
372S96.1Very high94Very high11 Ų1150 Ų508%0.07724%0.242CC..Hα-helixtrans-67.7-34.2175.1-62.90000112.8N369 R370 M375 W376 P433 R436N369-S372 PolarHBondContact ND2-OG 2.92Å; N369-S372 PolarHBondContact O-N 3.28Å; N369-S372 PolarHBondContact OD1-N 3.4Å; R370-S372 PolarHBondContact O-N 3.03Å; S372-M375 PolarHBondContact O-N 3.25Å; S372-W376 PolarHBondContact O-N 3.03Å; S372-P433 VanDerWaalsContact CB-O 3.26Å; S372-P433 WeakPolarHBondContact CB-O 3.41Å; S372-P433 PolarHBondContact OG-O 3.37Å; S372-R436 VanDerWaalsContact O-CD 3.27Å; S372-R436 WeakPolarHBondContact O-CD 3.21Å; S372-R436 PolarHBondContact O-NH1 2.98Å
373A96.4Very high94.2Very high3 Ų345.1 Ų45.13%0.02522%0.218CC..Hα-helixtrans-67.6-41.6175.600000111.9A357 A360 T368 N369 R370 M375 W376 S377A357-A373 HydrophobicContact CB-CB 4.01Å; A360-A373 HydrophobicContact CB-CB 4.07Å; T368-A373 HydrophobicContact CG2-CB 4.18Å; N369-A373 PolarHBondContact O-N 3.23Å; R370-A373 PolarHBondContact O-N 3.3Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.17Å; A373-W376 VanDerWaalsContact O-CB 3.31Å; A373-W376 WeakPolarHBondContact O-CB 3.33Å; A373-W376 PolarHBondContact O-N 3.31Å; A373-S377 PolarHBondContact O-N 2.71Å; A373-S377 PolarHBondContact O-OG 3.06Å
374D96.9Very high94.5Very high7 Ų739.7 Ų39.74%0.03720%0.195CC..Hα-helixtrans-66.4-33.2176.2-63.7-25.2000112M305 H309 R370 R371 W376 S377 F378 F439M305-D374 HydrophobicContact CE-CB 3.69Å; M305-D374 WeakPolarHBondContact CE-OD2 3.17Å; H309-D374 IonicContact CD2-OD2 3.39Å; H309-D374 IonicContact CE1-OD2 3.66Å; H309-D374 IonicContact NE2-OD2 2.85Å; H309-D374 PolarHBondContact NE2-OD2 2.86Å; R370-D374 IonicContact NH1-OD1 2.72Å; R370-D374 PolarHBondContact NH1-OD1 3Å; R370-D374 VanDerWaalsContact O-CG 3.3Å; R370-D374 PolarHBondContact O-N 3.2Å; R371-D374 PolarHBondContact O-N 3.44Å; D374-W376 VanDerWaalsContact C-N 3.3Å; D374-W376 PolarHBondContact O-N 2.75Å; D374-S377 WeakPolarHBondContact O-CB 3.27Å; D374-S377 PolarHBondContact O-N 3.48Å; D374-F378 PolarHBondContact O-N 3.4Å; D374-F439 HydrophobicContact CB-CE2 4.26Å
375M98Very high94.8Very high0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-63-35.9173.9-176.154.870.200112.2R371 S372 A373 F378 A379 C428 R436 P437 F439 I442R371-M375 PolarHBondContact O-N 3Å; R371-M375 VanDerWaalsContact O-N 3.14Å; S372-M375 PolarHBondContact O-N 3.25Å; A373-M375 VanDerWaalsContact C-N 3.3Å; A373-M375 PolarHBondContact O-N 3.17Å; M375-F378 PolarHBondContact O-N 2.65Å; M375-F378 HydrophobicContact SD-CD1 4Å; M375-A379 PolarHBondContact O-N 3.43Å; M375-A379 VanDerWaalsContact O-N 3.11Å; M375-C428 HydrophobicContact CG-CB 3.95Å; M375-C428 HydrophobicContact SD-CB 3.9Å; M375-R436 HydrophobicContact CG-CB 4.22Å; M375-P437 HydrophobicContact CE-CG 4.32Å; M375-P437 VanDerWaalsContact CE-O 3.25Å; M375-P437 WeakPolarHBondContact CE-O 3.31Å; M375-P437 HydrophobicContact CG-CG 4.31Å; M375-P437 WeakPolarHBondContact CG-O 3.45Å; M375-P437 HydrophobicContact SD-CG 4.28Å; M375-F439 HydrophobicContact CE-CB 4.31Å; M375-F439 HydrophobicContact CE-CD1 3.71Å; M375-F439 HydrophobicContact CE-CD2 3.78Å; M375-F439 HydrophobicContact CE-CE1 3.88Å; M375-F439 HydrophobicContact CE-CE2 3.93Å; M375-F439 HydrophobicContact CE-CG 3.66Å; M375-F439 HydrophobicContact CE-CZ 3.98Å; M375-F439 HydrophobicContact SD-CE1 4.27Å; M375-F439 HydrophobicContact SD-CZ 4.31Å; M375-I442 HydrophobicContact CE-CD1 3.71Å; M375-I442 HydrophobicContact CE-CG1 4.11Å; M375-I442 HydrophobicContact SD-CD1 3.87Å
376W97.8Very high95.2Very high3 Ų330.5 Ų30.51%0.01115%0.149CC..Hα-helixtrans-62.9-48.2171.3-179-78.9000111.2V356 A357 P358 S372 A373 D374 F378 A379 V380 R410 M429V356-W376 PolarHBondContact O-NE1 3.11Å; A357-W376 HydrophobicContact CB-CB 3.67Å; A357-W376 HydrophobicContact CB-CD2 4.2Å; A357-W376 HydrophobicContact CB-CG 3.7Å; P358-W376 HydrophobicContact CG-CH2 3.86Å; P358-W376 HydrophobicContact CG-CZ2 3.83Å; P358-W376 HydrophobicContact CG-CZ3 4.41Å; S372-W376 PolarHBondContact O-N 3.03Å; A373-W376 VanDerWaalsContact O-CB 3.31Å; A373-W376 WeakPolarHBondContact O-CB 3.33Å; A373-W376 PolarHBondContact O-N 3.31Å; D374-W376 VanDerWaalsContact C-N 3.3Å; D374-W376 PolarHBondContact O-N 2.75Å; W376-F378 VanDerWaalsContact C-N 3.27Å; W376-F378 PolarHBondContact O-N 3.48Å; W376-A379 WeakPolarHBondContact O-CA 3.37Å; W376-A379 WeakPolarHBondContact O-CB 3.39Å; W376-A379 PolarHBondContact O-N 2.91Å; W376-V380 PolarHBondContact O-N 3.46Å; W376-R410 VanDerWaalsContact CH2-CD 3.46Å; W376-M429 HydrophobicContact CE3-CB 4.07Å; W376-M429 HydrophobicContact CE3-CG 4.49Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ2-CE 4.19Å; W376-M429 HydrophobicContact CZ3-CB 3.97Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.28Å
377S97.7Very high95.5Very high8 Ų824.4 Ų24.46%0.05612%0.122CC..Hα-helixtrans-58.5-40178.1-58.80000112.5L320 W355 A373 D374 A379 V380 L381L320-S377 WeakPolarHBondContact O-CB 3.42Å; W355-S377 WeakPolarHBondContact O-CA 3.42Å; W355-S377 VanDerWaalsContact O-CB 3.25Å; W355-S377 WeakPolarHBondContact O-CB 3.46Å; W355-S377 PolarHBondContact O-OG 3.34Å; A373-S377 PolarHBondContact O-N 2.71Å; A373-S377 PolarHBondContact O-OG 3.06Å; D374-S377 WeakPolarHBondContact O-CB 3.27Å; D374-S377 PolarHBondContact O-N 3.48Å; S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact O-N 3.34Å; S377-V380 PolarHBondContact O-N 3.43Å; S377-L381 PolarHBondContact O-N 3.21Å
378F98.1Very high95.6Very high1 Ų123 Ų230%0.00411%0.108CC..Hα-helixtrans-60.2-39.2172.3171.7-99.2000112.5A298 M301 A302 L320 D374 M375 W376 L381 L382 F439 I442 L446A298-F378 HydrophobicContact CB-CE2 4.35Å; A298-F378 HydrophobicContact CB-CZ 4.19Å; A298-F378 VanDerWaalsContact O-CE2 3.3Å; A298-F378 WeakPolarHBondContact O-CE2 3.37Å; M301-F378 HydrophobicContact CB-CD2 4.35Å; M301-F378 HydrophobicContact CB-CE2 4.27Å; M301-F378 HydrophobicContact CE-CE2 4.47Å; A302-F378 HydrophobicContact CB-CE2 4.04Å; A302-F378 HydrophobicContact CB-CZ 4.18Å; L320-F378 HydrophobicContact CD2-CB 4.11Å; D374-F378 PolarHBondContact O-N 3.4Å; M375-F378 PolarHBondContact O-N 2.65Å; M375-F378 HydrophobicContact SD-CD1 4Å; W376-F378 VanDerWaalsContact C-N 3.27Å; W376-F378 PolarHBondContact O-N 3.48Å; F378-L381 WeakPolarHBondContact O-CB 3.41Å; F378-L381 PolarHBondContact O-N 3Å; F378-L382 PolarHBondContact O-N 3.17Å; F378-F439 HydrophobicContact CB-CE1 3.72Å; F378-F439 HydrophobicContact CB-CZ 3.69Å; F378-F439 HydrophobicContact CD1-CE1 4.15Å; F378-F439 AromaticContact CD2-CE1 3.88Å; F378-F439 HydrophobicContact CD2-CE1 3.88Å; F378-F439 AromaticContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CZ 4.14Å; F378-I442 HydrophobicContact CD1-CD1 3.82Å; F378-I442 HydrophobicContact CE1-CD1 3.43Å; F378-I442 VanDerWaalsContact CE1-CD1 3.43Å; F378-I442 HydrophobicContact CZ-CD1 3.99Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å
379A97.4Very high95.8Very high0 Ų027.6 Ų27.60%013%0.129CC..Hα-helixtrans-70.9-34.4179.600000113.1M375 W376 S377 L381 L382 W383 C428 M429M375-A379 PolarHBondContact O-N 3.43Å; M375-A379 VanDerWaalsContact O-N 3.11Å; W376-A379 WeakPolarHBondContact O-CA 3.37Å; W376-A379 WeakPolarHBondContact O-CB 3.39Å; W376-A379 PolarHBondContact O-N 2.91Å; S377-A379 VanDerWaalsContact C-N 3.3Å; S377-A379 PolarHBondContact O-N 3.34Å; A379-L381 VanDerWaalsContact C-N 3.33Å; A379-L382 PolarHBondContact O-N 3.36Å; A379-W383 PolarHBondContact O-N 3.11Å; A379-C428 HydrophobicContact CB-CB 3.48Å; A379-C428 VanDerWaalsContact CB-CB 3.48Å; A379-M429 HydrophobicContact CB-CB 4.48Å; A379-M429 HydrophobicContact CB-CG 3.23Å; A379-M429 HydrophobicContact CB-SD 3.89Å
380V97.7Very high95.9Very high0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-66.1-37.5170.6-177.70000110.8W355 W376 S377 W383 E384 P391 P411W355-V380 HydrophobicContact CB-CG1 4.47Å; W355-V380 HydrophobicContact CG-CB 4.44Å; W355-V380 HydrophobicContact CG-CG1 4Å; W376-V380 PolarHBondContact O-N 3.46Å; S377-V380 PolarHBondContact O-N 3.43Å; V380-W383 WeakPolarHBondContact O-CB 3.22Å; V380-W383 PolarHBondContact O-N 3.46Å; V380-E384 WeakPolarHBondContact O-CB 3.26Å; V380-E384 PolarHBondContact O-N 3.44Å; V380-P391 HydrophobicContact CG1-CB 4.12Å; V380-P391 HydrophobicContact CG1-CG 3.57Å; V380-P411 HydrophobicContact CG2-CG 4.33Å
381L97.6Very high95.9Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-63.9-39.8171.5-79.9172.7000112.6L277 M301 L320 S322 V325 S377 F378 A379 W383 E384 L385L277-L381 HydrophobicContact CD2-CD2 4.1Å; M301-L381 HydrophobicContact CE-CB 4.18Å; M301-L381 HydrophobicContact CE-CD1 4.43Å; M301-L381 HydrophobicContact SD-CD1 3.76Å; L320-L381 HydrophobicContact CD1-CD1 4.06Å; L320-L381 HydrophobicContact CD2-CD1 3.9Å; L320-L381 HydrophobicContact CG-CD1 3.57Å; S322-L381 VanDerWaalsContact N-CD2 3.31Å; V325-L381 HydrophobicContact CG2-CD1 4.48Å; S377-L381 PolarHBondContact O-N 3.21Å; F378-L381 WeakPolarHBondContact O-CB 3.41Å; F378-L381 PolarHBondContact O-N 3Å; A379-L381 VanDerWaalsContact C-N 3.33Å; L381-W383 VanDerWaalsContact C-N 3.31Å; L381-E384 PolarHBondContact O-N 3.02Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.21Å
382L96Very high96Very high7 Ų718.7 Ų18.74%0.0379%0.094CC..Hα-helixtrans-65.1-37.9174.5-176.259.8000111.3A298 F378 A379 V386 V421 L424 M425A298-L382 HydrophobicContact CB-CD1 4.02Å; F378-L382 PolarHBondContact O-N 3.17Å; A379-L382 PolarHBondContact O-N 3.36Å; L382-V386 HydrophobicContact CD1-CG2 4.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.48Å; L382-V386 PolarHBondContact O-N 3.32Å; L382-V421 HydrophobicContact CD1-CG1 4.18Å; L382-V421 HydrophobicContact CD2-CG1 4.21Å; L382-V421 HydrophobicContact CG-CG1 4.12Å; L382-L424 HydrophobicContact CD2-CB 4.48Å; L382-L424 HydrophobicContact CD2-CD2 3.8Å; L382-L424 HydrophobicContact CD2-CG 4.05Å; L382-M425 HydrophobicContact CB-CG 4.31Å; L382-M425 HydrophobicContact CD2-CG 3.54Å; L382-M425 HydrophobicContact CG-CG 3.81Å; L382-M425 HydrophobicContact CG-SD 4.34Å
383W96.3Very high95.9Very high13 Ų1321.9 Ų21.95%0.04912%0.121CC..Hα-helixtrans-58.5-54.2170.6-176.392.3000110.6A379 V380 L381 L385 V386 T387 E389 P391 P411 T412 M425A379-W383 PolarHBondContact O-N 3.11Å; V380-W383 WeakPolarHBondContact O-CB 3.22Å; V380-W383 PolarHBondContact O-N 3.46Å; L381-W383 VanDerWaalsContact C-N 3.31Å; W383-L385 VanDerWaalsContact C-N 3.31Å; W383-L385 PolarHBondContact O-N 3.42Å; W383-V386 PolarHBondContact O-N 3.35Å; W383-T387 HydrophobicContact CD2-CG2 3.96Å; W383-T387 HydrophobicContact CG-CG2 4.25Å; W383-T387 HydrophobicContact CZ2-CG2 3.89Å; W383-T387 WeakPolarHBondContact CZ3-OG1 3.09Å; W383-T387 PolarHBondContact O-N 3.02Å; W383-T387 PolarHBondContact O-OG1 2.88Å; W383-E389 HydrophobicContact CH2-CB 3.63Å; W383-E389 HydrophobicContact CZ3-CB 3.97Å; W383-E389 VanDerWaalsContact CZ3-O 3.31Å; W383-E389 WeakPolarHBondContact CZ3-O 3.48Å; W383-P391 HydrophobicContact CE3-CB 4.26Å; W383-P391 HydrophobicContact CE3-CG 3.91Å; W383-P391 HydrophobicContact CZ3-CB 3.91Å; W383-P391 HydrophobicContact CZ3-CG 3.78Å; W383-P411 HydrophobicContact CD2-CB 4.15Å; W383-P411 HydrophobicContact CG-CB 4.11Å; W383-T412 PolarHBondContact NE1-O 3.21Å; W383-M425 VanDerWaalsContact CA-CE 3.41Å; W383-M425 HydrophobicContact CB-CE 3.38Å; W383-M425 VanDerWaalsContact CD1-CE 3.48Å; W383-M425 HydrophobicContact CG-CE 3.8Å
384E96Very high95.8Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-59.9-38-179.2-179.9176.9-169.200112.5L281 H282 S322 W355 V380 L381 V386 R388 E389L281-E384 HydrophobicContact CD1-CG 3.79Å; H282-E384 IonicContact CD2-OE1 2.7Å; H282-E384 IonicContact CE1-OE1 3.81Å; H282-E384 IonicContact NE2-OE1 3.09Å; H282-E384 PolarHBondContact NE2-OE1 2.99Å; S322-E384 VanDerWaalsContact CB-OE1 3.22Å; S322-E384 WeakPolarHBondContact CB-OE1 3.43Å; S322-E384 VanDerWaalsContact CB-OE2 3.26Å; S322-E384 WeakPolarHBondContact CB-OE2 3.37Å; S322-E384 VanDerWaalsContact OG-CD 3.29Å; S322-E384 PolarHBondContact OG-OE1 3.32Å; S322-E384 PolarHBondContact OG-OE2 3.45Å; S322-E384 VanDerWaalsContact OG-OE2 3.12Å; W355-E384 WeakPolarHBondContact CZ2-OE2 3.25Å; W355-E384 PolarHBondContact NE1-OE2 2.99Å; V380-E384 WeakPolarHBondContact O-CB 3.26Å; V380-E384 PolarHBondContact O-N 3.44Å; L381-E384 PolarHBondContact O-N 3.02Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 2.97Å; E384-R388 WeakPolarHBondContact O-CA 3.25Å; E384-R388 PolarHBondContact O-N 3.14Å; E384-E389 WeakPolarHBondContact CG-O 3.46Å
385L94.8Very high95.7Very high1 Ų129.7 Ų29.71%0.00516%0.162CC..Hα-helixtrans-64-31.4174.5-82.3171.3000113.1L277 L281 A294 F297 A298 M301 L381 W383 R388L277-L385 HydrophobicContact CD1-CD2 3.91Å; L277-L385 HydrophobicContact CD2-CD2 4.23Å; L277-L385 HydrophobicContact CD2-CG 4.43Å; L281-L385 HydrophobicContact CD1-CD2 4.28Å; L281-L385 HydrophobicContact CD2-CD2 4.38Å; A294-L385 HydrophobicContact CB-CB 4.36Å; A294-L385 HydrophobicContact CB-CD2 4.47Å; F297-L385 HydrophobicContact CB-CD1 4.27Å; F297-L385 HydrophobicContact CB-CD2 4.25Å; F297-L385 HydrophobicContact CD2-CD2 4.03Å; A298-L385 HydrophobicContact CB-CD1 4.18Å; M301-L385 HydrophobicContact CE-CD1 3.6Å; L381-L385 WeakPolarHBondContact O-CB 3.18Å; L381-L385 VanDerWaalsContact O-CG 3.31Å; L381-L385 WeakPolarHBondContact O-CG 3.35Å; L381-L385 PolarHBondContact O-N 3.21Å; W383-L385 VanDerWaalsContact C-N 3.31Å; W383-L385 PolarHBondContact O-N 3.42Å; L385-R388 PolarHBondContact O-NH1 2.89Å; L385-R388 PolarHBondContact O-NH2 3.33Å
386V93.3Very high95.6Very high54 Ų5432.3 Ų32.333%0.32718%0.18SC..Hα-helixtrans-94.1-40.1-174.7175.30000111.2L382 W383 E384 I417 V421L382-V386 HydrophobicContact CD1-CG2 4.43Å; L382-V386 WeakPolarHBondContact O-CG2 3.48Å; L382-V386 PolarHBondContact O-N 3.32Å; W383-V386 PolarHBondContact O-N 3.35Å; E384-V386 VanDerWaalsContact C-N 3.28Å; E384-V386 PolarHBondContact O-N 2.97Å; V386-I417 HydrophobicContact CB-CD1 4.42Å; V386-I417 HydrophobicContact CG1-CB 4.26Å; V386-I417 HydrophobicContact CG1-CD1 3.51Å; V386-I417 HydrophobicContact CG1-CG1 3.52Å; V386-I417 HydrophobicContact CG1-CG2 3.83Å; V386-V421 HydrophobicContact CG2-CG1 3.81Å
387T93.1Very high95.4Very high23 Ų2336 Ų3614%0.14120%0.2CC..Hα-helixtrans-82.1-23.8-179.861.40000112.8W383 E389 P414 I417W383-T387 HydrophobicContact CD2-CG2 3.96Å; W383-T387 HydrophobicContact CG-CG2 4.25Å; W383-T387 HydrophobicContact CZ2-CG2 3.89Å; W383-T387 WeakPolarHBondContact CZ3-OG1 3.09Å; W383-T387 PolarHBondContact O-N 3.02Å; W383-T387 PolarHBondContact O-OG1 2.88Å; T387-E389 PolarHBondContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.44Å; T387-P414 HydrophobicContact CG2-CG 3.78Å; T387-I417 HydrophobicContact CG2-CD1 4.42Å
388R92.4Very high95.1Very high80 Ų8042.4 Ų42.430%0.30223%0.231SC..  trans57.826.7-169.4-54.7-65.1-174.8-138.9-18.2112.8V289 D290 E384 L385V289-R388 VanDerWaalsContact CB-CZ 3.4Å; V289-R388 PolarHBondContact O-NH2 3.47Å; D290-R388 PolarHBondContact O-NH2 3.08Å; E384-R388 WeakPolarHBondContact O-CA 3.25Å; E384-R388 PolarHBondContact O-N 3.14Å; L385-R388 PolarHBondContact O-NH1 2.89Å; L385-R388 PolarHBondContact O-NH2 3.33Å
389E94Very high95Very high115 Ų11546.5 Ų46.554%0.53725%0.25SS..  trans-112.8149.5179.3-68176.6176.100110.7W383 E384 T387W383-E389 HydrophobicContact CH2-CB 3.63Å; W383-E389 HydrophobicContact CZ3-CB 3.97Å; W383-E389 VanDerWaalsContact CZ3-O 3.31Å; W383-E389 WeakPolarHBondContact CZ3-O 3.48Å; E384-E389 WeakPolarHBondContact CG-O 3.46Å; T387-E389 PolarHBondContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.44Å
390V95Very high95Very high35 Ų3546.8 Ų46.821%0.21225%0.252CS..  trans-79.7126169.7179.60000108.2Y278 H282 W355 F392 A393Y278-V390 HydrophobicContact CE2-CG1 4.31Å; Y278-V390 HydrophobicContact CE2-CG2 3.77Å; H282-V390 HydrophobicContact CB-CG2 4.4Å; W355-V390 HydrophobicContact CH2-CG1 4.41Å; V390-F392 PolarHBondContact O-N 2.88Å; V390-A393 HydrophobicContact CB-CB 4Å; V390-A393 HydrophobicContact CG1-CB 4.37Å; V390-A393 PolarHBondContact O-N 3.15Å
391P95.3Very high94.9Very high3 Ų347.6 Ų47.62%0.01926%0.26CS..THydrogen-bonded Turntrans-62.8124-177.7-12.621.9000111A354 W355 V380 W383 A393A354-P391 HydrophobicContact CB-CB 4.23Å; W355-P391 HydrophobicContact CZ2-CG 4.18Å; V380-P391 HydrophobicContact CG1-CB 4.12Å; V380-P391 HydrophobicContact CG1-CG 3.57Å; W383-P391 HydrophobicContact CE3-CB 4.26Å; W383-P391 HydrophobicContact CE3-CG 3.91Å; W383-P391 HydrophobicContact CZ3-CB 3.91Å; W383-P391 HydrophobicContact CZ3-CG 3.78Å; P391-A393 VanDerWaalsContact C-N 3.33Å; P391-A393 PolarHBondContact O-N 2.94Å
392F96Very high94.7Very high29 Ų2952 Ų5213%0.12728%0.282CS..THydrogen-bonded Turntrans57.839.2179.8-39.3-60.4000114.1A354 V390 D394 L395 I400 V404 L409 P411A354-F392 HydrophobicContact CB-CD2 4Å; V390-F392 PolarHBondContact O-N 2.88Å; F392-D394 PolarHBondContact O-N 3.38Å; F392-L395 HydrophobicContact CB-CD1 4.36Å; F392-L395 PolarHBondContact O-N 3.07Å; F392-I400 HydrophobicContact CB-CD1 3.88Å; F392-I400 HydrophobicContact CB-CG1 3.85Å; F392-I400 HydrophobicContact CD2-CG1 4.48Å; F392-I400 HydrophobicContact CD2-CG2 3.8Å; F392-I400 HydrophobicContact CE2-CG2 4.41Å; F392-V404 HydrophobicContact CE2-CG2 3.95Å; F392-V404 HydrophobicContact CZ-CG2 4.44Å; F392-L409 HydrophobicContact CD1-CD1 3.96Å; F392-L409 HydrophobicContact CD1-CD2 3.82Å; F392-L409 HydrophobicContact CD1-CG 3.93Å; F392-L409 HydrophobicContact CD2-CD2 4.3Å; F392-L409 HydrophobicContact CE1-CD1 3.64Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.5Å; F392-L409 HydrophobicContact CE2-CD2 4.36Å; F392-L409 HydrophobicContact CE2-CG 4.4Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.36Å; F392-L409 HydrophobicContact CZ-CD2 4.15Å; F392-L409 HydrophobicContact CZ-CG 3.75Å; F392-P411 HydrophobicContact CE2-CG 4.44Å; F392-P411 HydrophobicContact CZ-CG 3.94Å
393A93.5Very high94.8Very high78 Ų7854.8 Ų54.865%0.64529%0.293SS*.THydrogen-bonded Turntrans-54.8-24.2-174.500000115.2V390 P391V390-A393 HydrophobicContact CB-CB 4Å; V390-A393 HydrophobicContact CG1-CB 4.37Å; V390-A393 PolarHBondContact O-N 3.15Å; P391-A393 VanDerWaalsContact C-N 3.33Å; P391-A393 PolarHBondContact O-N 2.94Å
394D94.4Very high94.8Very high139 Ų13954.3 Ų54.374%0.74329%0.292SS*.THydrogen-bonded Turntrans-80.8-12.7-178.760.4-51.5000114.1F392F392-D394 PolarHBondContact O-N 3.38Å
395L95.8Very high94.7Very high34 Ų3455 Ų5518%0.17830%0.297CS..SBendtrans-107.7149.4-175.6-60.1-178.7000112F392 E399 I400 K403 L409F392-L395 HydrophobicContact CB-CD1 4.36Å; F392-L395 PolarHBondContact O-N 3.07Å; L395-E399 HydrophobicContact CB-CB 4.33Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.58Å; L395-I400 HydrophobicContact CD1-CG1 4.34Å; L395-K403 HydrophobicContact CD1-CD 4.04Å; L395-L409 HydrophobicContact CD1-CD2 3.82Å
396S94.9Very high94.7Very high56 Ų5661.3 Ų61.339%0.39233%0.33SS..  trans-70155.4170.4710000111.4M398 E399 I400S396-M398 PolarHBondContact O-N 2.99Å; S396-M398 VanDerWaalsContact O-N 3.12Å; S396-E399 VanDerWaalsContact CB-OE2 3.23Å; S396-E399 WeakPolarHBondContact CB-OE2 3.47Å; S396-E399 PolarHBondContact N-OE2 2.97Å; S396-E399 PolarHBondContact O-N 3.44Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.32Å; S396-E399 WeakPolarHBondContact OG-CG 3.48Å; S396-E399 PolarHBondContact OG-N 3.09Å; S396-E399 PolarHBondContact OG-OE2 2.64Å; S396-I400 VanDerWaalsContact O-CG1 3.31Å; S396-I400 WeakPolarHBondContact O-CG1 3.16Å; S396-I400 PolarHBondContact O-N 2.89Å
397N93.5Very high94.7Very high80 Ų8065 Ų6543%0.42834%0.344SS..Hα-helixtrans-54.1-35.3176.4-74.4-32.3000113.1Y351 P353 G401Y351-N397 PolarHBondContact O-ND2 3.19Å; Y351-N397 VanDerWaalsContact O-ND2 3.16Å; P353-N397 HydrophobicContact CG-CB 4.1Å; P353-N397 WeakPolarHBondContact CG-O 3.4Å; N397-G401 PolarHBondContact O-N 2.77Å
398M93.1Very high94.7Very high143 Ų14366.1 Ų66.170%0.70436%0.361SS*.Hα-helixtrans-67.6-46.6178.2-176.6170.6177.100111.3S396 G401 M402S396-M398 PolarHBondContact O-N 2.99Å; S396-M398 VanDerWaalsContact O-N 3.12Å; M398-G401 PolarHBondContact O-N 3.4Å; M398-M402 HydrophobicContact CE-SD 4.11Å; M398-M402 HydrophobicContact CG-SD 4.32Å; M398-M402 WeakPolarHBondContact O-CG 3.31Å; M398-M402 PolarHBondContact O-N 2.92Å
399E95.8Very high94.9Very high87 Ų8764.5 Ų64.541%0.40736%0.357SS..Hα-helixtrans-62.3-44.9176.6-70.1165.7118.600111.3L395 S396 G401 M402 K403L395-E399 HydrophobicContact CB-CB 4.33Å; S396-E399 VanDerWaalsContact CB-OE2 3.23Å; S396-E399 WeakPolarHBondContact CB-OE2 3.47Å; S396-E399 PolarHBondContact N-OE2 2.97Å; S396-E399 PolarHBondContact O-N 3.44Å; S396-E399 VanDerWaalsContact O-N 3.08Å; S396-E399 VanDerWaalsContact OG-CG 3.32Å; S396-E399 WeakPolarHBondContact OG-CG 3.48Å; S396-E399 PolarHBondContact OG-N 3.09Å; S396-E399 PolarHBondContact OG-OE2 2.64Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.48Å; E399-M402 PolarHBondContact O-N 3.5Å; E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.21Å
400I96.7Very high94.9Very high6 Ų661.7 Ų61.73%0.03134%0.342CS..Hα-helixtrans-57-50.1176.1-64.5167.9000110P353 A354 F392 L395 S396 M402 K403 V404P353-I400 HydrophobicContact CB-CG2 4.28Å; P353-I400 HydrophobicContact CG-CB 4.18Å; P353-I400 HydrophobicContact CG-CG2 4.12Å; A354-I400 HydrophobicContact CB-CD1 4.39Å; A354-I400 HydrophobicContact CB-CG2 3.96Å; F392-I400 HydrophobicContact CB-CD1 3.88Å; F392-I400 HydrophobicContact CB-CG1 3.85Å; F392-I400 HydrophobicContact CD2-CG1 4.48Å; F392-I400 HydrophobicContact CD2-CG2 3.8Å; F392-I400 HydrophobicContact CE2-CG2 4.41Å; L395-I400 HydrophobicContact CB-CD1 4.19Å; L395-I400 HydrophobicContact CB-CG1 3.58Å; L395-I400 HydrophobicContact CD1-CG1 4.34Å; S396-I400 VanDerWaalsContact O-CG1 3.31Å; S396-I400 WeakPolarHBondContact O-CG1 3.16Å; S396-I400 PolarHBondContact O-N 2.89Å; I400-M402 VanDerWaalsContact C-N 3.35Å; I400-M402 PolarHBondContact O-N 2.84Å; I400-K403 PolarHBondContact O-N 3.28Å; I400-V404 HydrophobicContact CG2-CG2 3.96Å; I400-V404 VanDerWaalsContact O-CB 3.29Å; I400-V404 WeakPolarHBondContact O-CB 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 3.14Å
401G94.8Very high94.8Very high16 Ų1660.8 Ų60.817%0.16534%0.337CS..Hα-helixtrans-57.4-46.1179.500000112.6N397 M398 E399 A405N397-G401 PolarHBondContact O-N 2.77Å; M398-G401 PolarHBondContact O-N 3.4Å; E399-G401 VanDerWaalsContact C-N 3.33Å; E399-G401 PolarHBondContact O-N 3.48Å; G401-A405 WeakPolarHBondContact O-CB 2.87Å; G401-A405 PolarHBondContact O-N 3.23Å; G401-A405 VanDerWaalsContact O-N 3.12Å
402M95Very high94.7Very high94 Ų9466.1 Ų66.146%0.46337%0.369SS..Hα-helixtrans-65.7-47.9178.2-71.1179.864.700112.2M398 E399 I400 A405 L406M398-M402 HydrophobicContact CE-SD 4.11Å; M398-M402 HydrophobicContact CG-SD 4.32Å; M398-M402 WeakPolarHBondContact O-CG 3.31Å; M398-M402 PolarHBondContact O-N 2.92Å; E399-M402 PolarHBondContact O-N 3.5Å; I400-M402 VanDerWaalsContact C-N 3.35Å; I400-M402 PolarHBondContact O-N 2.84Å; M402-A405 PolarHBondContact O-N 3.28Å; M402-L406 WeakPolarHBondContact O-CB 3.47Å; M402-L406 PolarHBondContact O-N 2.98Å
403K97.2Very high94.4Very high64 Ų6467.1 Ų67.128%0.27838%0.376SS..Hα-helixtrans-69.8-39.5-176.3-68.4-168.4174.51770112.9L395 E399 I400 E407 G408 L409L395-K403 HydrophobicContact CD1-CD 4.04Å; E399-K403 WeakPolarHBondContact O-CB 3.36Å; E399-K403 VanDerWaalsContact O-CG 3.27Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 3.21Å; I400-K403 PolarHBondContact O-N 3.28Å; K403-E407 HydrophobicContact CB-CB 4.32Å; K403-E407 WeakPolarHBondContact CG-OE2 3.23Å; K403-E407 CarbonylContact O-C 3.55Å; K403-E407 WeakPolarHBondContact O-CA 3.25Å; K403-E407 WeakPolarHBondContact O-CB 3.32Å; K403-E407 PolarHBondContact O-N 3.47Å; K403-G408 PolarHBondContact O-N 3.17Å; K403-G408 VanDerWaalsContact O-N 3.17Å; K403-L409 HydrophobicContact CB-CB 3.73Å; K403-L409 HydrophobicContact CB-CD2 3.65Å; K403-L409 HydrophobicContact CB-CG 4.32Å; K403-L409 HydrophobicContact CD-CD2 4.23Å; K403-L409 PolarHBondContact O-N 3.33Å; K403-L409 VanDerWaalsContact O-N 3.15Å
404V96.1Very high94.2Very high4 Ų466 Ų662%0.02436%0.362CS..Hα-helixtrans-64.9-44.3175.11730000109.9P358 L361 F392 I400 L409 R410P358-V404 HydrophobicContact CB-CG1 4.46Å; P358-V404 HydrophobicContact CG-CG1 4.18Å; L361-V404 HydrophobicContact CD1-CB 4.02Å; L361-V404 HydrophobicContact CD1-CG1 3.83Å; F392-V404 HydrophobicContact CE2-CG2 3.95Å; F392-V404 HydrophobicContact CZ-CG2 4.44Å; I400-V404 HydrophobicContact CG2-CG2 3.96Å; I400-V404 VanDerWaalsContact O-CB 3.29Å; I400-V404 WeakPolarHBondContact O-CB 3.32Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 3.14Å; V404-L409 HydrophobicContact CG2-CB 4.28Å; V404-L409 HydrophobicContact CG2-CD2 4.22Å; V404-L409 HydrophobicContact CG2-CG 4.37Å; V404-R410 PolarHBondContact O-NH1 3.45Å
405A94.3Very high93.9Very high13 Ų1365.7 Ų65.711%0.10737%0.367CS..Hα-helixtrans-70.8-40.4-178.800000112.9L361 Q362 G401 M402L361-A405 HydrophobicContact CB-CB 3.85Å; L361-A405 HydrophobicContact CD1-CB 4.34Å; Q362-A405 HydrophobicContact CG-CB 4.21Å; Q362-A405 PolarHBondContact NE2-O 3.01Å; G401-A405 WeakPolarHBondContact O-CB 2.87Å; G401-A405 PolarHBondContact O-N 3.23Å; G401-A405 VanDerWaalsContact O-N 3.12Å; M402-A405 PolarHBondContact O-N 3.28Å
406L94.2Very high93.5Very high134 Ų13468.2 Ų68.270%0.70240%0.401SS*.Hα-helixtrans-119.7-24.4-165.4-55.9177.8000114.6M402M402-L406 WeakPolarHBondContact O-CB 3.47Å; M402-L406 PolarHBondContact O-N 2.98Å
407E93.8Very high93.1Very high131 Ų13167 Ų6761%0.61239%0.39SS*.SBendtrans-111.95-170.6-59.2177.9-150.800113.4K403 L409K403-E407 HydrophobicContact CB-CB 4.32Å; K403-E407 WeakPolarHBondContact CG-OE2 3.23Å; K403-E407 CarbonylContact O-C 3.55Å; K403-E407 WeakPolarHBondContact O-CA 3.25Å; K403-E407 WeakPolarHBondContact O-CB 3.32Å; K403-E407 PolarHBondContact O-N 3.47Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 3.33Å
408G93.6Very high92.9Very high48 Ų4864.8 Ų64.850%0.49538%0.381SS..  trans7123.1178.100000114.2K403 R410K403-G408 PolarHBondContact O-N 3.17Å; K403-G408 VanDerWaalsContact O-N 3.17Å; G408-R410 PolarHBondContact O-N 3.35Å
409L95.6Very high92.7Very high45 Ų4563 Ų6324%0.23638%0.381CS..  trans-64.7124.2174-179.766.5000110.2F392 L395 K403 V404 E407F392-L409 HydrophobicContact CD1-CD1 3.96Å; F392-L409 HydrophobicContact CD1-CD2 3.82Å; F392-L409 HydrophobicContact CD1-CG 3.93Å; F392-L409 HydrophobicContact CD2-CD2 4.3Å; F392-L409 HydrophobicContact CE1-CD1 3.64Å; F392-L409 HydrophobicContact CE1-CD2 3.9Å; F392-L409 HydrophobicContact CE1-CG 3.5Å; F392-L409 HydrophobicContact CE2-CD2 4.36Å; F392-L409 HydrophobicContact CE2-CG 4.4Å; F392-L409 HydrophobicContact CG-CD2 4.02Å; F392-L409 HydrophobicContact CZ-CD1 4.36Å; F392-L409 HydrophobicContact CZ-CD2 4.15Å; F392-L409 HydrophobicContact CZ-CG 3.75Å; L395-L409 HydrophobicContact CD1-CD2 3.82Å; K403-L409 HydrophobicContact CB-CB 3.73Å; K403-L409 HydrophobicContact CB-CD2 3.65Å; K403-L409 HydrophobicContact CB-CG 4.32Å; K403-L409 HydrophobicContact CD-CD2 4.23Å; K403-L409 PolarHBondContact O-N 3.33Å; K403-L409 VanDerWaalsContact O-N 3.15Å; V404-L409 HydrophobicContact CG2-CB 4.28Å; V404-L409 HydrophobicContact CG2-CD2 4.22Å; V404-L409 HydrophobicContact CG2-CG 4.37Å; E407-L409 VanDerWaalsContact C-N 3.31Å; E407-L409 PolarHBondContact O-N 3.33Å
410R94.9Very high92.5Very high56 Ų5664.1 Ų64.121%0.21139%0.385CS..  trans-138.7147.6-178.5-58.9-61.1-178.9-94-3.4110.7W376 V404 G408 T412 E431W376-R410 VanDerWaalsContact CH2-CD 3.46Å; V404-R410 PolarHBondContact O-NH1 3.45Å; G408-R410 PolarHBondContact O-N 3.35Å; R410-T412 PolarHBondContact O-N 3.18Å; R410-E431 WeakPolarHBondContact CD-OE1 3.45Å; R410-E431 IonicContact CZ-OE1 3.62Å; R410-E431 IonicContact CZ-OE2 3.59Å; R410-E431 IonicContact NE-OE1 2.88Å; R410-E431 PolarHBondContact NE-OE1 3.02Å; R410-E431 IonicContact NE-OE2 2.71Å; R410-E431 PolarHBondContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 3.35Å; R410-E431 IonicContact NH2-OE2 3.61Å; R410-E431 PolarHBondContact NH2-OE2 3.04Å
411P92.6Very high92.2Very high17 Ų1764.4 Ų64.411%0.1139%0.387CS..  trans-58.1130.7170.5-2231.8000111.4V380 W383 F392 M429V380-P411 HydrophobicContact CG2-CG 4.33Å; W383-P411 HydrophobicContact CD2-CB 4.15Å; W383-P411 HydrophobicContact CG-CB 4.11Å; F392-P411 HydrophobicContact CE2-CG 4.44Å; F392-P411 HydrophobicContact CZ-CG 3.94Å; P411-M429 HydrophobicContact CB-CE 4.05Å; P411-M429 VanDerWaalsContact CD-CE 3.48Å; P411-M429 HydrophobicContact CG-CE 3.66Å
412T92.4Very high92.2Very high114 Ų11464.9 Ų64.970%0.69939%0.388SS*.  trans-88.2132.3175.951.70000109.6W383 R410 P414W383-T412 PolarHBondContact NE1-O 3.21Å; R410-T412 PolarHBondContact O-N 3.18Å; T412-P414 VanDerWaalsContact O-CD 3.25Å; T412-P414 WeakPolarHBondContact O-CD 3.31Å
413I90.6Very high92.1Very high51 Ų5167.2 Ų67.226%0.26240%0.396SS..  trans-86.2111.4178.6-56179.8000108I417 C422 M425 K426I413-I417 HydrophobicContact CG2-CD1 3.78Å; I413-C422 HydrophobicContact CG2-CB 4.41Å; I413-M425 HydrophobicContact CD1-CB 4.03Å; I413-M425 HydrophobicContact CD1-CE 4.18Å; I413-M425 HydrophobicContact CG1-CE 4.03Å; I413-K426 HydrophobicContact CD1-CG 3.83Å
414P89.1Confident92Very high54 Ų5464.6 Ų64.635%0.35139%0.385SS..  trans-66.8154.6-178.627-34.7000112T387 T412 I417T387-P414 HydrophobicContact CG2-CG 3.78Å; T412-P414 VanDerWaalsContact O-CD 3.25Å; T412-P414 WeakPolarHBondContact O-CD 3.31Å; P414-I417 HydrophobicContact CG-CD1 3.65Å; P414-I417 HydrophobicContact CG-CG1 4.26Å
415P88Confident92Very high132 Ų13264.4 Ų64.486%0.85738%0.383SS*.THydrogen-bonded Turntrans-63.7152.2171.129.2-34.3000110.8
416G86.3Confident92Very high87 Ų8770.2 Ų70.290%0.89741%0.406SS*.THydrogen-bonded Turntrans97.3-10.2178.400000115.3
417I87.5Confident92.1Very high30 Ų3067.3 Ų67.315%0.15439%0.391CS..SBendtrans-71142.4172.3-62.5177.8000110.4V386 T387 I413 P414 V421 C422V386-I417 HydrophobicContact CB-CD1 4.42Å; V386-I417 HydrophobicContact CG1-CB 4.26Å; V386-I417 HydrophobicContact CG1-CD1 3.51Å; V386-I417 HydrophobicContact CG1-CG1 3.52Å; V386-I417 HydrophobicContact CG1-CG2 3.83Å; T387-I417 HydrophobicContact CG2-CD1 4.42Å; I413-I417 HydrophobicContact CG2-CD1 3.78Å; P414-I417 HydrophobicContact CG-CD1 3.65Å; P414-I417 HydrophobicContact CG-CG1 4.26Å; I417-V421 HydrophobicContact CG2-CB 4Å; I417-V421 HydrophobicContact CG2-CG1 4.04Å; I417-C422 HydrophobicContact CG2-CB 4.41Å
418S88.5Confident92.2Very high34 Ų3461.1 Ų61.124%0.23836%0.362CS..  trans-46.2129.8173.5171.30000111.7H420 V421 C422S418-H420 PolarHBondContact O-N 2.66Å; S418-H420 VanDerWaalsContact O-N 3.09Å; S418-V421 PolarHBondContact O-N 3.49Å; S418-C422 PolarHBondContact O-N 3.21Å
419P90.2Very high92.3Very high107 Ų10760 Ų6070%0.69534%0.344SS*.Hα-helixtrans-55.1-32.9-180-27.534.5000113.4K423P419-K423 VanDerWaalsContact O-CB 3.32Å; P419-K423 WeakPolarHBondContact O-CB 3.44Å; P419-K423 PolarHBondContact O-N 2.87Å
420H90.6Very high92.3Very high109 Ų10960.3 Ų60.351%0.50535%0.346SS..Hα-helixtrans-69.7-43.9179-60.9-61.4000112.1S418 K423 L424 M449S418-H420 PolarHBondContact O-N 2.66Å; S418-H420 VanDerWaalsContact O-N 3.09Å; H420-K423 PolarHBondContact O-N 3.26Å; H420-L424 WeakPolarHBondContact O-CB 3.21Å; H420-L424 PolarHBondContact O-N 3.24Å; H420-M449 HydrophobicContact CB-CE 3.43Å; H420-M449 VanDerWaalsContact CB-CE 3.43Å
421V91.7Very high92.2Very high12 Ų1262.5 Ų62.57%0.07336%0.358CS..Hα-helixtrans-67.1-44.7177.4177.90000110.2L382 V386 I417 S418 K423 L424 M425 M449L382-V421 HydrophobicContact CD1-CG1 4.18Å; L382-V421 HydrophobicContact CD2-CG1 4.21Å; L382-V421 HydrophobicContact CG-CG1 4.12Å; V386-V421 HydrophobicContact CG2-CG1 3.81Å; I417-V421 HydrophobicContact CG2-CB 4Å; I417-V421 HydrophobicContact CG2-CG1 4.04Å; S418-V421 PolarHBondContact O-N 3.49Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.41Å; V421-L424 WeakPolarHBondContact O-CB 3.27Å; V421-L424 PolarHBondContact O-N 2.84Å; V421-L424 VanDerWaalsContact O-N 3.15Å; V421-M425 HydrophobicContact CG1-CG 4.34Å; V421-M425 HydrophobicContact CG1-SD 3.87Å; V421-M425 VanDerWaalsContact O-CG 3.25Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.35Å; V421-M449 HydrophobicContact CG2-CE 4.37Å
422C93.3Very high92.3Very high26 Ų2664.6 Ų64.618%0.17637%0.369CS..Hα-helixtrans-57.2-45.2175.2176.50000112I413 I417 S418 M425 K426I413-C422 HydrophobicContact CG2-CB 4.41Å; I417-C422 HydrophobicContact CG2-CB 4.41Å; S418-C422 PolarHBondContact O-N 3.21Å; C422-M425 PolarHBondContact O-N 3.24Å; C422-K426 WeakPolarHBondContact O-CG 3.26Å; C422-K426 PolarHBondContact O-N 3.11Å
423K93.6Very high92.5Very high144 Ų14460.7 Ų60.763%0.62635%0.345SS*.Hα-helixtrans-63.1-43.2176.1-174175.2-178.6178.40111.8P419 H420 V421 K426 I427P419-K423 VanDerWaalsContact O-CB 3.32Å; P419-K423 WeakPolarHBondContact O-CB 3.44Å; P419-K423 PolarHBondContact O-N 2.87Å; H420-K423 PolarHBondContact O-N 3.26Å; V421-K423 VanDerWaalsContact C-N 3.34Å; V421-K423 PolarHBondContact O-N 3.41Å; K423-K426 PolarHBondContact O-N 3.47Å; K423-I427 HydrophobicContact CG-CD1 3.93Å; K423-I427 WeakPolarHBondContact O-CG1 3.49Å; K423-I427 PolarHBondContact O-N 2.83Å; K423-I427 VanDerWaalsContact O-N 3.11Å
424L94.9Very high92.7Very high9 Ų962.3 Ų62.35%0.04737%0.367CS..Hα-helixtrans-60.4-48.3177.4-179.260.8000111.1L382 H420 V421 K426 I427 C428 I442 L446 M449L382-L424 HydrophobicContact CD2-CB 4.48Å; L382-L424 HydrophobicContact CD2-CD2 3.8Å; L382-L424 HydrophobicContact CD2-CG 4.05Å; H420-L424 WeakPolarHBondContact O-CB 3.21Å; H420-L424 PolarHBondContact O-N 3.24Å; V421-L424 WeakPolarHBondContact O-CB 3.27Å; V421-L424 PolarHBondContact O-N 2.84Å; V421-L424 VanDerWaalsContact O-N 3.15Å; L424-K426 PolarHBondContact O-N 2.98Å; L424-I427 PolarHBondContact O-N 3.37Å; L424-C428 PolarHBondContact O-N 3Å; L424-C428 PolarHBondContact O-SG 3.12Å; L424-I442 HydrophobicContact CD1-CB 4.2Å; L424-I442 HydrophobicContact CD1-CG2 3.83Å; L424-L446 HydrophobicContact CD2-CD2 3.76Å; L424-L446 HydrophobicContact CD2-CG 4.26Å; L424-M449 HydrophobicContact CD2-CE 4.39Å; L424-M449 HydrophobicContact CD2-SD 4.43Å
425M95.5Very high93Very high0 Ų066.2 Ų66.20%038%0.378CS..Hα-helixtrans-57.9-47.6177.6-67.6168.56800111.9L382 W383 I413 V421 C422 I427 C428 M429L382-M425 HydrophobicContact CB-CG 4.31Å; L382-M425 HydrophobicContact CD2-CG 3.54Å; L382-M425 HydrophobicContact CG-CG 3.81Å; L382-M425 HydrophobicContact CG-SD 4.34Å; W383-M425 VanDerWaalsContact CA-CE 3.41Å; W383-M425 HydrophobicContact CB-CE 3.38Å; W383-M425 VanDerWaalsContact CD1-CE 3.48Å; W383-M425 HydrophobicContact CG-CE 3.8Å; I413-M425 HydrophobicContact CD1-CB 4.03Å; I413-M425 HydrophobicContact CD1-CE 4.18Å; I413-M425 HydrophobicContact CG1-CE 4.03Å; V421-M425 HydrophobicContact CG1-CG 4.34Å; V421-M425 HydrophobicContact CG1-SD 3.87Å; V421-M425 VanDerWaalsContact O-CG 3.25Å; V421-M425 WeakPolarHBondContact O-CG 3.31Å; V421-M425 PolarHBondContact O-N 3.35Å; C422-M425 PolarHBondContact O-N 3.24Å; M425-I427 VanDerWaalsContact C-N 3.3Å; M425-I427 PolarHBondContact O-N 3.29Å; M425-C428 PolarHBondContact O-N 3.4Å; M425-M429 WeakPolarHBondContact O-CB 3.46Å; M425-M429 WeakPolarHBondContact O-CG 3.44Å; M425-M429 PolarHBondContact O-N 3.39Å
426K95Very high93.4Very high134 Ų13460.6 Ų60.658%0.58334%0.34SS*.Hα-helixtrans-60.1-38.5178.5-74.3177.2178.1179.20113I413 C422 K423 L424 N430I413-K426 HydrophobicContact CD1-CG 3.83Å; C422-K426 WeakPolarHBondContact O-CG 3.26Å; C422-K426 PolarHBondContact O-N 3.11Å; K423-K426 PolarHBondContact O-N 3.47Å; L424-K426 PolarHBondContact O-N 2.98Å; K426-N430 PolarHBondContact O-N 3.45Å
427I95.6Very high94Very high74 Ų7457.4 Ų57.438%0.37930%0.303SS..Hα-helixtrans-71.1-39.7178.4-69.9167.9000110.7K423 L424 M425 P437K423-I427 HydrophobicContact CG-CD1 3.93Å; K423-I427 WeakPolarHBondContact O-CG1 3.49Å; K423-I427 PolarHBondContact O-N 2.83Å; K423-I427 VanDerWaalsContact O-N 3.11Å; L424-I427 PolarHBondContact O-N 3.37Å; M425-I427 VanDerWaalsContact C-N 3.3Å; M425-I427 PolarHBondContact O-N 3.29Å; I427-P437 HydrophobicContact CG2-CG 3.88Å
428C96.6Very high94.4Very high0 Ų061.7 Ų61.70%032%0.321CS..Hα-helixtrans-74.2-30.4179.5-590000112.8M375 A379 L424 M425 R436M375-C428 HydrophobicContact CG-CB 3.95Å; M375-C428 HydrophobicContact SD-CB 3.9Å; A379-C428 HydrophobicContact CB-CB 3.48Å; A379-C428 VanDerWaalsContact CB-CB 3.48Å; L424-C428 PolarHBondContact O-N 3Å; L424-C428 PolarHBondContact O-SG 3.12Å; M425-C428 PolarHBondContact O-N 3.4Å; C428-R436 VanDerWaalsContact O-CD 3.31Å; C428-R436 WeakPolarHBondContact O-CD 3.29Å; C428-R436 WeakPolarHBondContact O-CG 3.33Å
429M95.3Very high94.8Very high25 Ų2560.2 Ų60.212%0.12331%0.31CS..THydrogen-bonded Turntrans-95.932.7175.4-60.2172.962.800112.9W376 A379 P411 M425 E431W376-M429 HydrophobicContact CE3-CB 4.07Å; W376-M429 HydrophobicContact CE3-CG 4.49Å; W376-M429 HydrophobicContact CH2-CB 4.33Å; W376-M429 HydrophobicContact CZ2-CE 4.19Å; W376-M429 HydrophobicContact CZ3-CB 3.97Å; W376-M429 VanDerWaalsContact CZ3-O 3.28Å; W376-M429 WeakPolarHBondContact CZ3-O 3.28Å; A379-M429 HydrophobicContact CB-CB 4.48Å; A379-M429 HydrophobicContact CB-CG 3.23Å; A379-M429 HydrophobicContact CB-SD 3.89Å; P411-M429 HydrophobicContact CB-CE 4.05Å; P411-M429 VanDerWaalsContact CD-CE 3.48Å; P411-M429 HydrophobicContact CG-CE 3.66Å; M425-M429 WeakPolarHBondContact O-CB 3.46Å; M425-M429 WeakPolarHBondContact O-CG 3.44Å; M425-M429 PolarHBondContact O-N 3.39Å; M429-E431 PolarHBondContact O-N 2.87Å
430N96Very high95Very high52 Ų5259.7 Ų59.728%0.27830%0.301SS..  trans-65.1133.4175.4-158.4-61.9000110.1K426 D432 K435 R436K426-N430 PolarHBondContact O-N 3.45Å; N430-D432 PolarHBondContact O-N 3.33Å; N430-D432 PolarHBondContact OD1-N 2.87Å; N430-K435 HydrophobicContact CB-CB 4.24Å; N430-R436 HydrophobicContact CB-CG 4Å; N430-R436 PolarHBondContact O-NE 3.04Å; N430-R436 PolarHBondContact O-NH2 3.32Å; N430-R436 VanDerWaalsContact O-NH2 3.13Å
431E93.6Very high95.2Very high101 Ų10160 Ų6047%0.47230%0.304SS..SBendtrans-59.9-31.3176.7-68.1-60.5141.600112.1R410 M429 P433R410-E431 WeakPolarHBondContact CD-OE1 3.45Å; R410-E431 IonicContact CZ-OE1 3.62Å; R410-E431 IonicContact CZ-OE2 3.59Å; R410-E431 IonicContact NE-OE1 2.88Å; R410-E431 PolarHBondContact NE-OE1 3.02Å; R410-E431 IonicContact NE-OE2 2.71Å; R410-E431 PolarHBondContact NE-OE2 3.42Å; R410-E431 IonicContact NH2-OE1 3.35Å; R410-E431 IonicContact NH2-OE2 3.61Å; R410-E431 PolarHBondContact NH2-OE2 3.04Å; M429-E431 PolarHBondContact O-N 2.87Å; E431-P433 VanDerWaalsContact O-CD 3.29Å; E431-P433 WeakPolarHBondContact O-CD 3.42Å
432D94.5Very high95.5Very high61 Ų6159.5 Ų59.533%0.32630%0.301SS..SBendtrans-84.1111.7172.9-177-8.7000110.3N430 A434 K435N430-D432 PolarHBondContact O-N 3.33Å; N430-D432 PolarHBondContact OD1-N 2.87Å; D432-A434 PolarHBondContact O-N 3.08Å; D432-A434 VanDerWaalsContact O-N 3.13Å; D432-A434 WeakPolarHBondContact OD1-CB 3.27Å; D432-A434 PolarHBondContact OD1-N 3.15Å; D432-K435 HydrophobicContact CB-CB 4.3Å; D432-K435 HydrophobicContact CB-CD 3.94Å; D432-K435 HydrophobicContact CB-CG 4.07Å; D432-K435 PolarHBondContact O-N 3.33Å; D432-K435 WeakPolarHBondContact OD2-CE 3.33Å; D432-K435 IonicContact OD2-NZ 3.69Å
433P95.1Very high95.5Very high32 Ų3259.1 Ų59.121%0.20830%0.298CS..G310 helixtrans-60.7-24.9-178.6-21.433.8000113.4E359 S372 E431 K435E359-P433 HydrophobicContact CG-CG 3.86Å; S372-P433 VanDerWaalsContact CB-O 3.26Å; S372-P433 WeakPolarHBondContact CB-O 3.41Å; S372-P433 PolarHBondContact OG-O 3.37Å; E431-P433 VanDerWaalsContact O-CD 3.29Å; E431-P433 WeakPolarHBondContact O-CD 3.42Å; P433-K435 VanDerWaalsContact C-N 3.3Å
434A95Very high95.5Very high86 Ų8655 Ų5571%0.71129%0.286SS*.G310 helixtrans-74.7-20.4179.300000113D432D432-A434 PolarHBondContact O-N 3.08Å; D432-A434 VanDerWaalsContact O-N 3.13Å; D432-A434 WeakPolarHBondContact OD1-CB 3.27Å; D432-A434 PolarHBondContact OD1-N 3.15Å
435K96.2Very high95.5Very high136 Ų13658.3 Ų58.359%0.59130%0.303SS*.G310 helixtrans-89.9-8.3178.4-67.2-179.8-173.2162.20113.5N430 D432 P433N430-K435 HydrophobicContact CB-CB 4.24Å; D432-K435 HydrophobicContact CB-CB 4.3Å; D432-K435 HydrophobicContact CB-CD 3.94Å; D432-K435 HydrophobicContact CB-CG 4.07Å; D432-K435 PolarHBondContact O-N 3.33Å; D432-K435 WeakPolarHBondContact OD2-CE 3.33Å; D432-K435 IonicContact OD2-NZ 3.69Å; P433-K435 VanDerWaalsContact C-N 3.3Å
436R97.4Very high95.4Very high13 Ų1358.4 Ų58.45%0.04930%0.304CS..SBendtrans-72.9137.5176.7-60.7-179.7-163153.19.1109.5E359 S372 M375 C428 N430E359-R436 IonicContact OE1-CZ 3.4Å; E359-R436 IonicContact OE1-NH1 3.48Å; E359-R436 PolarHBondContact OE1-NH1 2.72Å; E359-R436 IonicContact OE1-NH2 2.77Å; E359-R436 PolarHBondContact OE1-NH2 3Å; E359-R436 IonicContact OE2-CZ 3.53Å; E359-R436 IonicContact OE2-NH1 3.6Å; E359-R436 IonicContact OE2-NH2 3.43Å; E359-R436 PolarHBondContact OE2-NH2 3.18Å; S372-R436 VanDerWaalsContact O-CD 3.27Å; S372-R436 WeakPolarHBondContact O-CD 3.21Å; S372-R436 PolarHBondContact O-NH1 2.98Å; M375-R436 HydrophobicContact CG-CB 4.22Å; C428-R436 VanDerWaalsContact O-CD 3.31Å; C428-R436 WeakPolarHBondContact O-CD 3.29Å; C428-R436 WeakPolarHBondContact O-CG 3.33Å; N430-R436 HydrophobicContact CB-CG 4Å; N430-R436 PolarHBondContact O-NE 3.04Å; N430-R436 PolarHBondContact O-NH2 3.32Å; N430-R436 VanDerWaalsContact O-NH2 3.13Å
437P97.3Very high95.3Very high20 Ų2054.9 Ų54.913%0.1329%0.289CS..PPolyproline II helixtrans-70.6165179.132-35.8000110.3M375 I427 M441 I442M375-P437 HydrophobicContact CE-CG 4.32Å; M375-P437 VanDerWaalsContact CE-O 3.25Å; M375-P437 WeakPolarHBondContact CE-O 3.31Å; M375-P437 HydrophobicContact CG-CG 4.31Å; M375-P437 WeakPolarHBondContact CG-O 3.45Å; M375-P437 HydrophobicContact SD-CG 4.28Å; I427-P437 HydrophobicContact CG2-CG 3.88Å; P437-M441 HydrophobicContact CB-CB 4.31Å; P437-M441 HydrophobicContact CB-SD 4.38Å; P437-I442 HydrophobicContact CB-CG2 3.97Å; P437-I442 HydrophobicContact CG-CG2 3.68Å
438K97.1Very high95.1Very high121 Ų12158.1 Ų58.153%0.52630%0.301SS..PPolyproline II helixtrans-86.3161.4165.5-68178.8-174.3179.50110D440 M441K438-D440 VanDerWaalsContact C-N 3.33Å; K438-D440 WeakPolarHBondContact CB-OD1 3.35Å; K438-D440 PolarHBondContact O-N 3.39Å; K438-M441 HydrophobicContact CB-CG 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.38Å; K438-M441 PolarHBondContact O-N 2.77Å
439F97Very high94.7Very high2 Ų259.4 Ų59.41%0.00931%0.307CS..Hα-helixtrans-63.5-36.4-178.3-79.4-80.2000113.3A302 M305 A306 H309 D374 M375 F378 M441 I442 V443A302-F439 HydrophobicContact CB-CD1 4Å; A302-F439 HydrophobicContact CB-CE1 4.49Å; M305-F439 HydrophobicContact CB-CD1 3.75Å; M305-F439 HydrophobicContact CB-CD2 3.62Å; M305-F439 HydrophobicContact CB-CE1 3.63Å; M305-F439 HydrophobicContact CB-CE2 3.51Å; M305-F439 HydrophobicContact CB-CG 3.75Å; M305-F439 HydrophobicContact CB-CZ 3.51Å; M305-F439 HydrophobicContact CE-CE2 4.15Å; M305-F439 HydrophobicContact CG-CE1 4.03Å; M305-F439 HydrophobicContact CG-CE2 4.04Å; M305-F439 HydrophobicContact CG-CZ 3.71Å; A306-F439 HydrophobicContact CB-CB 3.69Å; H309-F439 AromaticContact CE1-CD2 3.56Å; H309-F439 AromaticContact CE1-CE2 3.54Å; H309-F439 AromaticContact ND1-CD2 3.6Å; D374-F439 HydrophobicContact CB-CE2 4.26Å; M375-F439 HydrophobicContact CE-CB 4.31Å; M375-F439 HydrophobicContact CE-CD1 3.71Å; M375-F439 HydrophobicContact CE-CD2 3.78Å; M375-F439 HydrophobicContact CE-CE1 3.88Å; M375-F439 HydrophobicContact CE-CE2 3.93Å; M375-F439 HydrophobicContact CE-CG 3.66Å; M375-F439 HydrophobicContact CE-CZ 3.98Å; M375-F439 HydrophobicContact SD-CE1 4.27Å; M375-F439 HydrophobicContact SD-CZ 4.31Å; F378-F439 HydrophobicContact CB-CE1 3.72Å; F378-F439 HydrophobicContact CB-CZ 3.69Å; F378-F439 HydrophobicContact CD1-CE1 4.15Å; F378-F439 AromaticContact CD2-CE1 3.88Å; F378-F439 HydrophobicContact CD2-CE1 3.88Å; F378-F439 AromaticContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CE1 3.62Å; F378-F439 HydrophobicContact CG-CZ 4.14Å; F439-M441 PolarHBondContact O-N 3.13Å; F439-I442 HydrophobicContact CD1-CD1 3.82Å; F439-I442 HydrophobicContact CD1-CG1 4.31Å; F439-I442 HydrophobicContact CE1-CD1 4.2Å; F439-I442 VanDerWaalsContact O-CG1 3.26Å; F439-I442 WeakPolarHBondContact O-CG1 3.47Å; F439-I442 PolarHBondContact O-N 3.3Å; F439-I442 VanDerWaalsContact O-N 3.11Å; F439-V443 WeakPolarHBondContact O-CG2 3.12Å; F439-V443 PolarHBondContact O-N 2.85Å
440D93.7Very high94.2Very high97 Ų9761.4 Ų61.452%0.51932%0.316SS..Hα-helixtrans-57.4-30.2173.560.7-16.2000113.5K438 P444K438-D440 VanDerWaalsContact C-N 3.33Å; K438-D440 WeakPolarHBondContact CB-OD1 3.35Å; K438-D440 PolarHBondContact O-N 3.39Å; D440-P444 WeakPolarHBondContact O-CD 3.3Å
441M95.9Very high93.1Very high114 Ų11465.7 Ų65.756%0.56234%0.339SS*.Hα-helixtrans-77.7-28.9177-61.8-179.7179.100113.2P437 K438 F439P437-M441 HydrophobicContact CB-CB 4.31Å; P437-M441 HydrophobicContact CB-SD 4.38Å; K438-M441 HydrophobicContact CB-CG 4.49Å; K438-M441 WeakPolarHBondContact O-CB 3.38Å; K438-M441 PolarHBondContact O-N 2.77Å; F439-M441 PolarHBondContact O-N 3.13Å
442I96.2Very high91.9Very high2 Ų270.3 Ų70.31%0.0136%0.357CS..Hα-helixtrans-95.5-24.3-176.163.8160.8000113.5A302 M375 F378 L424 P437 F439 I445 L446A302-I442 HydrophobicContact CB-CD1 4.18Å; M375-I442 HydrophobicContact CE-CD1 3.71Å; M375-I442 HydrophobicContact CE-CG1 4.11Å; M375-I442 HydrophobicContact SD-CD1 3.87Å; F378-I442 HydrophobicContact CD1-CD1 3.82Å; F378-I442 HydrophobicContact CE1-CD1 3.43Å; F378-I442 VanDerWaalsContact CE1-CD1 3.43Å; F378-I442 HydrophobicContact CZ-CD1 3.99Å; L424-I442 HydrophobicContact CD1-CB 4.2Å; L424-I442 HydrophobicContact CD1-CG2 3.83Å; P437-I442 HydrophobicContact CB-CG2 3.97Å; P437-I442 HydrophobicContact CG-CG2 3.68Å; F439-I442 HydrophobicContact CD1-CD1 3.82Å; F439-I442 HydrophobicContact CD1-CG1 4.31Å; F439-I442 HydrophobicContact CE1-CD1 4.2Å; F439-I442 VanDerWaalsContact O-CG1 3.26Å; F439-I442 WeakPolarHBondContact O-CG1 3.47Å; F439-I442 PolarHBondContact O-N 3.3Å; F439-I442 VanDerWaalsContact O-N 3.11Å; I442-I445 WeakPolarHBondContact O-CA 3.5Å; I442-I445 WeakPolarHBondContact O-CB 3.29Å; I442-I445 PolarHBondContact O-N 3Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 2.69Å
443V94.6Very high91.8Very high19 Ų1970.8 Ų70.812%0.11536%0.359CS..Hα-helixtrans-54-49.1177.4164.60000111.5L299 A302 R303 F439 I445 L446 E447L299-V443 HydrophobicContact CD1-CG1 4.06Å; A302-V443 HydrophobicContact CB-CG2 3.88Å; R303-V443 HydrophobicContact CG-CG1 4.08Å; R303-V443 HydrophobicContact CG-CG2 4.13Å; F439-V443 WeakPolarHBondContact O-CG2 3.12Å; F439-V443 PolarHBondContact O-N 2.85Å; V443-I445 PolarHBondContact O-N 3.05Å; V443-L446 PolarHBondContact O-N 3.13Å; V443-L446 VanDerWaalsContact O-N 3.12Å; V443-E447 HydrophobicContact CG1-CG 4.42Å; V443-E447 WeakPolarHBondContact O-CG 3.49Å; V443-E447 PolarHBondContact O-N 2.81Å
444P93.8Very high91.6Very high58 Ų5872.8 Ų72.838%0.37737%0.367SS..Hα-helixtrans-63.8-24.1176.8-23.434.5000114.3D440 K448D440-P444 WeakPolarHBondContact O-CD 3.3Å; P444-K448 WeakPolarHBondContact O-CG 3.38Å; P444-K448 PolarHBondContact O-N 3.15Å
445I94.3Very high91.4Very high78 Ų7872.1 Ų72.140%0.435%0.348SS..Hα-helixtrans-74-43.6176.2-57.8176.2000109.5I442 V443 K448 M449I442-I445 WeakPolarHBondContact O-CA 3.5Å; I442-I445 WeakPolarHBondContact O-CB 3.29Å; I442-I445 PolarHBondContact O-N 3Å; V443-I445 PolarHBondContact O-N 3.05Å; I445-K448 PolarHBondContact O-N 2.77Å; I445-M449 HydrophobicContact CG2-CE 4.14Å; I445-M449 HydrophobicContact CG2-SD 4.48Å; I445-M449 WeakPolarHBondContact O-CG 3.39Å; I445-M449 PolarHBondContact O-N 2.71Å; I445-M449 VanDerWaalsContact O-N 3.14Å
446L94Very high91.2Very high2 Ų268.4 Ų68.41%0.0133%0.333CS..Hα-helixtrans-67.9-37.6178-70.8166.5000112A298 L299 A302 F378 L424 I442 V443 K448 M449 Q450A298-L446 HydrophobicContact CB-CD2 4.08Å; L299-L446 HydrophobicContact CB-CB 4.16Å; L299-L446 HydrophobicContact CD1-CB 3.77Å; A302-L446 HydrophobicContact CB-CD1 3.58Å; F378-L446 HydrophobicContact CZ-CD1 3.86Å; L424-L446 HydrophobicContact CD2-CD2 3.76Å; L424-L446 HydrophobicContact CD2-CG 4.26Å; I442-L446 HydrophobicContact CD1-CD1 4.37Å; I442-L446 PolarHBondContact O-N 2.69Å; V443-L446 PolarHBondContact O-N 3.13Å; V443-L446 VanDerWaalsContact O-N 3.12Å; L446-K448 PolarHBondContact O-N 3.4Å; L446-M449 HydrophobicContact CD2-SD 4.09Å; L446-M449 WeakPolarHBondContact O-CB 3.42Å; L446-M449 PolarHBondContact O-N 3.25Å; L446-M449 VanDerWaalsContact O-N 3.09Å; L446-Q450 PolarHBondContact O-N 3.02Å
447E91.7Very high90.8Very high59 Ų5971.8 Ų71.828%0.27635%0.351SS..Hα-helixtrans-57.8-49172.9-71.8172.3161.400111L299 R303 V443 M449 Q450 D451L299-E447 HydrophobicContact CD1-CG 3.75Å; L299-E447 HydrophobicContact CD2-CG 4.01Å; R303-E447 IonicContact CZ-OE1 3.49Å; R303-E447 IonicContact NE-OE1 2.8Å; R303-E447 IonicContact NH2-OE1 3.92Å; R303-E447 PolarHBondContact NH2-OE1 2.98Å; V443-E447 HydrophobicContact CG1-CG 4.42Å; V443-E447 WeakPolarHBondContact O-CG 3.49Å; V443-E447 PolarHBondContact O-N 2.81Å; E447-M449 PolarHBondContact O-N 3.17Å; E447-Q450 WeakPolarHBondContact O-CB 3.36Å; E447-Q450 PolarHBondContact O-N 2.93Å; E447-D451 PolarHBondContact O-N 2.86Å
448K91.2Very high90.4Very high143 Ų14375.3 Ų75.362%0.62237%0.366SS*.Hα-helixtrans-64-22.5175.4-71.5175.7-178.7178.90114.3P444 I445 L446 K452P444-K448 WeakPolarHBondContact O-CG 3.38Å; P444-K448 PolarHBondContact O-N 3.15Å; I445-K448 PolarHBondContact O-N 2.77Å; L446-K448 PolarHBondContact O-N 3.4Å; K448-K452 WeakPolarHBondContact O-CG 3.2Å
449M89.2Confident89.9Confident26 Ų2672 Ų7213%0.12836%0.355CS..Hα-helixtrans-81.2-26.7173.7-72.7171.3165.500111.9V295 H420 V421 L424 I445 L446 E447V295-M449 HydrophobicContact CG1-CB 3.8Å; H420-M449 HydrophobicContact CB-CE 3.43Å; H420-M449 VanDerWaalsContact CB-CE 3.43Å; V421-M449 HydrophobicContact CG2-CE 4.37Å; L424-M449 HydrophobicContact CD2-CE 4.39Å; L424-M449 HydrophobicContact CD2-SD 4.43Å; I445-M449 HydrophobicContact CG2-CE 4.14Å; I445-M449 HydrophobicContact CG2-SD 4.48Å; I445-M449 WeakPolarHBondContact O-CG 3.39Å; I445-M449 PolarHBondContact O-N 2.71Å; I445-M449 VanDerWaalsContact O-N 3.14Å; L446-M449 HydrophobicContact CD2-SD 4.09Å; L446-M449 WeakPolarHBondContact O-CB 3.42Å; L446-M449 PolarHBondContact O-N 3.25Å; L446-M449 VanDerWaalsContact O-N 3.09Å; E447-M449 PolarHBondContact O-N 3.17Å
450Q83.6Confident89.3Confident68 Ų6877.4 Ų77.432%0.31838%0.381SS..Hα-helixtrans-76.5-32178.3-171179.124.100111.9V295 L446 E447 K452V295-Q450 HydrophobicContact CG1-CB 4.09Å; L446-Q450 PolarHBondContact O-N 3.02Å; E447-Q450 WeakPolarHBondContact O-CB 3.36Å; E447-Q450 PolarHBondContact O-N 2.93Å; Q450-K452 PolarHBondContact O-N 3.42Å
451D74.9Confident89Confident141 Ų14175.8 Ų75.875%0.75437%0.37SS*.  trans-74-10.5177.3-64.7-28.4000113.8E447E447-D451 PolarHBondContact O-N 2.86Å
452K68.2Low88.3Confident199 Ų19972.3 Ų72.387%0.86535%0.352SS*.  trans-102.90179.6-71.1-178.6178.7-171.20110.8K448 Q450K448-K452 WeakPolarHBondContact O-CG 3.2Å; Q450-K452 PolarHBondContact O-N 3.42Å

Retrieved 452 of 452 residues in 147.4 ms (Link to these results)

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