H9FXG3_MACMU Loading...

26S proteasome non-ATPase regulatory subunit 4

AlphaFold DB , UniProt , Accession H9FXG3, Species MACMU (Macaca mulatta, Rhesus macaque), Gene PSMD4, Length 380 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
1M57.6Low83.3Confident198 Ų19828.8 Ų28.898%0.97515%0.15SC*.  0146.30-71158.7167.400108.1N44M1-N44 WeakPolarHBondContact CB-OD1 3.29Å
2V74.6Confident83.3Confident58 Ų5827.3 Ų27.335%0.35214%0.142SC..  trans-100.8134.3-169.1-175.80000110.1N44 K106V2-N44 PolarHBondContact O-ND2 3.24Å; V2-K106 HydrophobicContact CG1-CD 3.7Å; V2-K106 HydrophobicContact CG1-CG 4.04Å
3L82.1Confident83.2Confident54 Ų5425.3 Ų25.328%0.28313%0.132SC..  trans-71.9125.5174.9-73.7178.6000110.5E46 H105 K106L3-E46 HydrophobicContact CD2-CB 3.7Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.35Å; L3-H105 CarbonylContact O-C 3.57Å; L3-H105 WeakPolarHBondContact O-CA 3.36Å; L3-K106 PolarHBondContact O-N 3.47Å
4E83.1Confident82.9Confident5 Ų530.8 Ų30.82%0.02316%0.156CC..EExtended strand (participates in β ladder)trans-131.9143.9-176.8-75.7147.1-144.200112.4K40 N47 N48 K106 E192E4-K40 IonicContact OE2-NZ 2.91Å; E4-K40 PolarHBondContact OE2-NZ 2.9Å; E4-N47 PolarHBondContact N-OD1 3.46Å; E4-N47 PolarHBondContact O-OD1 3.47Å; E4-N48 PolarHBondContact O-N 3.29Å; E4-K106 WeakPolarHBondContact CA-O 3.05Å; E4-K106 HydrophobicContact CG-CB 3.98Å; E4-E192 WeakPolarHBondContact OE1-CG 3.41Å
5S87.4Confident82.5Confident0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-110.5109.4166.7-67.20000107.5H105 K106 R108S5-H105 WeakPolarHBondContact OG-CB 3.44Å; S5-K106 PolarHBondContact N-O 3.4Å; S5-R108 PolarHBondContact O-N 2.64Å
6T87.5Confident82.2Confident0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-101.2121.9-177.7-59.30000109.6V8 N48 V49 G50 R108 I110T6-V8 HydrophobicContact CG2-CG2 4.2Å; T6-N48 PolarHBondContact N-O 3.42Å; T6-V49 WeakPolarHBondContact O-CA 3.33Å; T6-G50 PolarHBondContact O-N 2.96Å; T6-R108 CarbonylContact C-O 3.57Å; T6-R108 WeakPolarHBondContact CA-O 3.22Å; T6-I110 HydrophobicContact CG2-CD1 3.51Å; T6-I110 HydrophobicContact CG2-CG1 3.9Å
7M90.6Very high81.8Confident0 Ų041.5 Ų41.50%019%0.191CC..EExtended strand (participates in β ladder)trans-100.7115.6171.4-165.859.553.400109.4I52 L64 A93 A96 L97 R108 I109 I110M7-I52 HydrophobicContact CG-CD1 4.21Å; M7-I52 HydrophobicContact CG-CG1 4.38Å; M7-I52 HydrophobicContact CG-CG2 4.13Å; M7-I52 HydrophobicContact SD-CG2 3.63Å; M7-L64 HydrophobicContact CE-CD2 3.64Å; M7-L64 HydrophobicContact CE-CG 3.95Å; M7-A93 HydrophobicContact CG-CB 4.17Å; M7-A96 HydrophobicContact CE-CB 3.67Å; M7-A96 HydrophobicContact SD-CB 4.33Å; M7-L97 HydrophobicContact CB-CD1 4.45Å; M7-L97 HydrophobicContact CB-CD2 4.23Å; M7-L97 HydrophobicContact CB-CG 4.29Å; M7-L97 HydrophobicContact CE-CD2 4.35Å; M7-L97 HydrophobicContact CE-CG 4.48Å; M7-R108 PolarHBondContact N-O 2.7Å; M7-I109 HydrophobicContact CB-CG1 4.43Å; M7-I109 CarbonylContact O-C 3.53Å; M7-I109 WeakPolarHBondContact O-CA 3.32Å; M7-I110 PolarHBondContact O-N 3.16Å
8V90.6Very high81.4Confident1 Ų143.6 Ų43.61%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-94.2123.3177.8-179.20000109.4T6 V33 V49 G50 L51 I52 I110 F112T6-V8 HydrophobicContact CG2-CG2 4.2Å; V8-V33 HydrophobicContact CG1-CB 4.5Å; V8-V33 HydrophobicContact CG1-CG1 3.97Å; V8-V33 HydrophobicContact CG1-CG2 3.78Å; V8-V49 HydrophobicContact CG2-CG1 3.82Å; V8-G50 WeakPolarHBondContact CB-O 3.31Å; V8-G50 PolarHBondContact N-O 3.38Å; V8-L51 HydrophobicContact CB-CD1 4.5Å; V8-L51 HydrophobicContact CG1-CD1 4.37Å; V8-L51 WeakPolarHBondContact O-CA 3.48Å; V8-I52 PolarHBondContact O-N 2.91Å; V8-I110 CarbonylContact C-O 3.58Å; V8-I110 WeakPolarHBondContact CA-O 3.33Å; V8-F112 HydrophobicContact CG1-CD2 4.04Å; V8-F112 HydrophobicContact CG1-CE2 3.77Å
9C88.6Confident80.7Confident0 Ų044.6 Ų44.60%023%0.227CC..EExtended strand (participates in β ladder)trans-104.2113177.7-38.60000109I52 L54 I109 I110 A111 F112C9-I52 CarbonylContact C-O 3.59Å; C9-I52 WeakPolarHBondContact CA-O 3.1Å; C9-I52 HydrophobicContact CB-CD1 4.06Å; C9-I52 HydrophobicContact CB-CG1 3.73Å; C9-I52 WeakPolarHBondContact SG-CD1 3.37Å; C9-L54 HydrophobicContact CB-CD1 3.83Å; C9-L54 HydrophobicContact CB-CD2 3.93Å; C9-L54 HydrophobicContact CB-CG 3.83Å; C9-I109 VanDerWaalsContact SG-CG2 3.57Å; C9-I110 PolarHBondContact N-O 2.88Å; C9-A111 HydrophobicContact CB-CB 4.24Å; C9-F112 WeakPolarHBondContact O-CB 3.45Å; C9-F112 WeakPolarHBondContact O-CD2 3.17Å; C9-F112 PolarHBondContact O-N 2.85Å
10V87.8Confident80.4Confident1 Ų145.1 Ų45.11%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-93.2124.8176.972.20000109.4Q29 L51 I52 T53 L54 L75V10-Q29 HydrophobicContact CG2-CG 4.15Å; V10-L51 HydrophobicContact CB-CD1 4.22Å; V10-L51 HydrophobicContact CG1-CD1 4.15Å; V10-I52 WeakPolarHBondContact CG1-O 3.33Å; V10-I52 PolarHBondContact N-O 3.46Å; V10-T53 CarbonylContact O-C 3.07Å; V10-T53 WeakPolarHBondContact O-CA 3.43Å; V10-L54 PolarHBondContact O-N 3.05Å; V10-L75 HydrophobicContact CG2-CD2 4.07Å
11D86Confident79.8Confident0 Ų043 Ų430%022%0.219CC..  trans-80.2130.4168.4179.719.7000109.7S13 M16 Q29 I84 F112 G114 S115D11-S13 VanDerWaalsContact CG-OG 3.3Å; D11-S13 WeakPolarHBondContact OD1-CB 3.47Å; D11-S13 PolarHBondContact OD1-N 3.39Å; D11-S13 PolarHBondContact OD1-OG 3.18Å; D11-S13 PolarHBondContact OD2-OG 2.86Å; D11-M16 HydrophobicContact CB-CE 3.76Å; D11-M16 VanDerWaalsContact O-CE 3.27Å; D11-M16 WeakPolarHBondContact O-CE 3.42Å; D11-M16 WeakPolarHBondContact O-CG 3.5Å; D11-Q29 PolarHBondContact O-NE2 3.39Å; D11-Q29 PolarHBondContact O-OE1 3.45Å; D11-I84 HydrophobicContact CB-CD1 4.24Å; D11-F112 VanDerWaalsContact CB-O 3.27Å; D11-F112 WeakPolarHBondContact CB-O 3.48Å; D11-G114 PolarHBondContact OD2-N 3.39Å; D11-S115 PolarHBondContact OD2-OG 3.15Å
12N83.6Confident80Confident11 Ų1139.8 Ų39.86%0.05921%0.206CC..  trans-115.323.3176.4-60.6-15.2000111.4T53 A55 V78 P80 K81N12-T53 PolarHBondContact ND2-OG1 3.36Å; N12-A55 HydrophobicContact CB-CB 3.98Å; N12-V78 HydrophobicContact CB-CG1 4.2Å; N12-V78 WeakPolarHBondContact ND2-CG1 3.08Å; N12-V78 WeakPolarHBondContact OD1-CG1 3.4Å; N12-P80 CarbonylContact O-C 3.37Å; N12-P80 WeakPolarHBondContact O-CA 3.43Å; N12-K81 CarbonylContact O-C 3.55Å; N12-K81 PolarHBondContact O-N 3.03Å
13S81.6Confident79.8Confident1 Ų141.4 Ų41.41%0.00722%0.218CC..  trans-56.215918061.40000112.7D11 Y15 M16 G82 S115D11-S13 VanDerWaalsContact CG-OG 3.3Å; D11-S13 WeakPolarHBondContact OD1-CB 3.47Å; D11-S13 PolarHBondContact OD1-N 3.39Å; D11-S13 PolarHBondContact OD1-OG 3.18Å; D11-S13 PolarHBondContact OD2-OG 2.86Å; S13-Y15 PolarHBondContact O-N 2.81Å; S13-Y15 VanDerWaalsContact O-N 3.09Å; S13-M16 WeakPolarHBondContact O-CB 3.39Å; S13-M16 PolarHBondContact O-N 2.85Å; S13-G82 WeakPolarHBondContact CA-O 3.47Å; S13-S115 WeakPolarHBondContact CB-OG 3.34Å; S13-S115 WeakPolarHBondContact OG-CB 3.08Å; S13-S115 PolarHBondContact OG-OG 2.78Å
14E80.2Confident79.7Confident102 Ų10241.7 Ų41.748%0.47722%0.221SC..G310 helixtrans-59.4-23.3177.8-70.1-175.7-163.600114M16 R17 G82E14-M16 PolarHBondContact O-N 3.43Å; E14-R17 WeakPolarHBondContact O-CB 3.13Å; E14-R17 PolarHBondContact O-N 3.2Å; E14-R17 PolarHBondContact O-NE 2.97Å; E14-R17 IonicContact OE2-NH2 3.04Å; E14-R17 PolarHBondContact OE2-NH2 3.11Å; E14-G82 PolarHBondContact N-O 2.71Å
15Y76.6Confident79.6Confident113 Ų11341.7 Ų41.744%0.44322%0.221SC..G310 helixtrans-69.2-14.2175.2-66.2-88.4000113.3S13 R17 N18 R25 P116S13-Y15 PolarHBondContact O-N 2.81Å; S13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-R17 PolarHBondContact O-N 2.63Å; Y15-N18 WeakPolarHBondContact O-CB 3.42Å; Y15-N18 PolarHBondContact O-N 3.21Å; Y15-R25 PolarHBondContact O-NH1 2.93Å; Y15-P116 HydrophobicContact CE2-CG 4.4Å
16M77.3Confident79.3Confident4 Ų443.1 Ų43.12%0.0223%0.229CC..G310 helixtrans-71.6-9.6172.2-69.9-82.9170.900113.3D11 S13 E14 N18 R25 Q29 P80D11-M16 HydrophobicContact CB-CE 3.76Å; D11-M16 VanDerWaalsContact O-CE 3.27Å; D11-M16 WeakPolarHBondContact O-CE 3.42Å; D11-M16 WeakPolarHBondContact O-CG 3.5Å; S13-M16 WeakPolarHBondContact O-CB 3.39Å; S13-M16 PolarHBondContact O-N 2.85Å; E14-M16 PolarHBondContact O-N 3.43Å; M16-N18 VanDerWaalsContact C-N 3.29Å; M16-R25 HydrophobicContact SD-CG 4.07Å; M16-Q29 VanDerWaalsContact CE-CD 3.48Å; M16-Q29 VanDerWaalsContact CE-NE2 3.29Å; M16-Q29 PolarHBondContact SD-OE1 3.31Å; M16-P80 HydrophobicContact CB-CB 3.91Å
17R76.2Confident79.1Confident158 Ų15847 Ų4760%0.59625%0.247SC*.G310 helixtrans-79.5-13.2172.5-66.3-175.6-77.7-176.1-7.8113.1E14 Y15 P80E14-R17 WeakPolarHBondContact O-CB 3.13Å; E14-R17 PolarHBondContact O-N 3.2Å; E14-R17 PolarHBondContact O-NE 2.97Å; E14-R17 IonicContact OE2-NH2 3.04Å; E14-R17 PolarHBondContact OE2-NH2 3.11Å; Y15-R17 PolarHBondContact O-N 2.63Å; R17-P80 HydrophobicContact CG-CB 3.9Å; R17-P80 HydrophobicContact CG-CG 3.63Å
18N74.1Confident78.7Confident78 Ų7847.4 Ų47.442%0.41725%0.25SS..  trans-66.9142.8-179.5-64.4-8.7000109.9Y15 M16 D20 R25Y15-N18 WeakPolarHBondContact O-CB 3.42Å; Y15-N18 PolarHBondContact O-N 3.21Å; M16-N18 VanDerWaalsContact C-N 3.29Å; N18-D20 VanDerWaalsContact C-N 3.33Å; N18-R25 WeakPolarHBondContact O-CB 3.35Å
19G68.1Low78.3Confident63 Ų6347.6 Ų47.665%0.64925%0.251SS*.  trans-97.631.5177.500000112.7F21G19-F21 PolarHBondContact O-N 3.28Å
20D74.2Confident78.1Confident54 Ų5448.5 Ų48.529%0.28926%0.255SS..SBendtrans-64.1-27.1174.355.3-20.7000112.2N18 R25N18-D20 VanDerWaalsContact C-N 3.33Å; D20-R25 WeakPolarHBondContact OD1-CD 3.45Å; D20-R25 IonicContact OD2-CZ 3.84Å; D20-R25 IonicContact OD2-NE 3.8Å
21F67.6Low78Confident1 Ų152.5 Ų52.50%0.00428%0.276CS..SBendtrans-108.5135.1169.3-61.8-84.6000111.1G19 P23 T24 R25 A28 F143 V173 G176 L179G19-F21 PolarHBondContact O-N 3.28Å; F21-P23 CarbonylContact O-C 3.18Å; F21-T24 CarbonylContact O-C 3.52Å; F21-T24 WeakPolarHBondContact O-CA 3.37Å; F21-T24 PolarHBondContact O-N 3.34Å; F21-R25 HydrophobicContact CD2-CB 4.29Å; F21-R25 HydrophobicContact CD2-CG 3.87Å; F21-R25 HydrophobicContact CE2-CG 4.49Å; F21-A28 HydrophobicContact CB-CB 3.96Å; F21-F143 HydrophobicContact CE2-CB 4.42Å; F21-F143 HydrophobicContact CE2-CD1 4.43Å; F21-F143 HydrophobicContact CZ-CD1 4Å; F21-V173 HydrophobicContact CE1-CG1 4.44Å; F21-V173 HydrophobicContact CZ-CG1 4.5Å; F21-G176 WeakPolarHBondContact CD1-O 3.35Å; F21-G176 WeakPolarHBondContact CE1-O 3.25Å; F21-L179 HydrophobicContact CD1-CB 3.67Å; F21-L179 HydrophobicContact CD1-CD1 4.02Å; F21-L179 HydrophobicContact CD1-CG 4.15Å; F21-L179 HydrophobicContact CD2-CD1 4.22Å; F21-L179 HydrophobicContact CE1-CB 3.78Å; F21-L179 HydrophobicContact CE1-CD1 4.08Å; F21-L179 HydrophobicContact CE1-CG 3.97Å; F21-L179 HydrophobicContact CE2-CD1 4.29Å; F21-L179 HydrophobicContact CG-CB 4.44Å; F21-L179 HydrophobicContact CG-CD1 4.09Å; F21-L179 HydrophobicContact CZ-CD1 4.22Å; F21-L179 HydrophobicContact CZ-CG 4.39Å
22L62.2Low77.9Confident131 Ų13152.5 Ų52.569%0.68628%0.276SS*.SBendtrans-82.9137.9171.2-75.497.4000110.1P177L22-P177 HydrophobicContact CD1-CB 4.28Å
23P71.5Confident78Confident93 Ų9352 Ų5260%0.60427%0.274SS*.SBendcis-83.6-32.9-00.716.2000113.7F21F21-P23 CarbonylContact O-C 3.18Å
24T79.6Confident78.3Confident59 Ų5954.1 Ų54.136%0.36229%0.285SS..  trans-147150.8166.851.60000108.7F21 L26 Q27 A28F21-T24 CarbonylContact O-C 3.52Å; F21-T24 WeakPolarHBondContact O-CA 3.37Å; F21-T24 PolarHBondContact O-N 3.34Å; T24-L26 VanDerWaalsContact C-N 3.25Å; T24-L26 PolarHBondContact O-N 3.23Å; T24-Q27 PolarHBondContact O-N 3.03Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.35Å; T24-Q27 WeakPolarHBondContact OG1-CG 2.95Å; T24-Q27 PolarHBondContact OG1-N 3.49Å; T24-Q27 PolarHBondContact OG1-OE1 3.38Å; T24-A28 PolarHBondContact O-N 3.16Å
25R79.6Confident78.6Confident6 Ų651.8 Ų51.82%0.02328%0.275CS..Hα-helixtrans-57.9-36.9179.4-173.3173.3-167.8-170.36.6113.4Y15 M16 N18 D20 F21 A28 Q29 G114 F143Y15-R25 PolarHBondContact O-NH1 2.93Å; M16-R25 HydrophobicContact SD-CG 4.07Å; N18-R25 WeakPolarHBondContact O-CB 3.35Å; D20-R25 WeakPolarHBondContact OD1-CD 3.45Å; D20-R25 IonicContact OD2-CZ 3.84Å; D20-R25 IonicContact OD2-NE 3.8Å; F21-R25 HydrophobicContact CD2-CB 4.29Å; F21-R25 HydrophobicContact CD2-CG 3.87Å; F21-R25 HydrophobicContact CE2-CG 4.49Å; R25-A28 PolarHBondContact O-N 3.46Å; R25-Q29 WeakPolarHBondContact O-CB 3.49Å; R25-Q29 PolarHBondContact O-N 3.38Å; R25-G114 PolarHBondContact NH1-O 3.25Å; R25-G114 VanDerWaalsContact NH1-O 3.1Å; R25-G114 PolarHBondContact NH2-O 3.19Å; R25-F143 PolarHBondContact NH2-O 3.33Å
26L81.3Confident78.9Confident29 Ų2946.6 Ų46.615%0.15226%0.256CS..Hα-helixtrans-62.8-44.1174.3-175.969.3000112.3T24 Q29 Q30 V78T24-L26 VanDerWaalsContact C-N 3.25Å; T24-L26 PolarHBondContact O-N 3.23Å; L26-Q29 PolarHBondContact O-N 3.45Å; L26-Q30 WeakPolarHBondContact O-CG 3.29Å; L26-Q30 PolarHBondContact O-N 3.38Å; L26-V78 HydrophobicContact CD1-CG1 4.35Å
27Q83.1Confident79.2Confident82 Ų8246.6 Ų46.638%0.38326%0.256SS..Hα-helixtrans-66.7-42.9176.8-74.6169.2-20.300111.3T24 Q29 Q30 D31T24-Q27 PolarHBondContact O-N 3.03Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.35Å; T24-Q27 WeakPolarHBondContact OG1-CG 2.95Å; T24-Q27 PolarHBondContact OG1-N 3.49Å; T24-Q27 PolarHBondContact OG1-OE1 3.38Å; Q27-Q29 PolarHBondContact O-N 3.22Å; Q27-Q30 WeakPolarHBondContact O-CA 3.46Å; Q27-Q30 WeakPolarHBondContact O-CB 3.42Å; Q27-Q30 PolarHBondContact O-N 3.12Å; Q27-D31 PolarHBondContact O-N 3.19Å
28A82.1Confident79.6Confident9 Ų943.4 Ų43.47%0.07425%0.247CC..Hα-helixtrans-59.6-35.3175.800000112F21 T24 R25 A32 L179F21-A28 HydrophobicContact CB-CB 3.96Å; T24-A28 PolarHBondContact O-N 3.16Å; R25-A28 PolarHBondContact O-N 3.46Å; A28-A32 VanDerWaalsContact O-CB 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 3.03Å; A28-L179 HydrophobicContact CB-CB 4.2Å; A28-L179 HydrophobicContact CB-CD1 3.68Å
29Q82.4Confident80.1Confident5 Ų541.3 Ų41.32%0.02324%0.239CC..Hα-helixtrans-70.7-38.9172.9-165.9-174.722.400112.5V10 D11 M16 R25 L26 Q27 D31 A32 V33 F112V10-Q29 HydrophobicContact CG2-CG 4.15Å; D11-Q29 PolarHBondContact O-NE2 3.39Å; D11-Q29 PolarHBondContact O-OE1 3.45Å; M16-Q29 VanDerWaalsContact CE-CD 3.48Å; M16-Q29 VanDerWaalsContact CE-NE2 3.29Å; M16-Q29 PolarHBondContact SD-OE1 3.31Å; R25-Q29 WeakPolarHBondContact O-CB 3.49Å; R25-Q29 PolarHBondContact O-N 3.38Å; L26-Q29 PolarHBondContact O-N 3.45Å; Q27-Q29 PolarHBondContact O-N 3.22Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-A32 WeakPolarHBondContact O-CB 3.09Å; Q29-A32 PolarHBondContact O-N 3.44Å; Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.28Å; Q29-V33 PolarHBondContact O-N 3.03Å; Q29-F112 HydrophobicContact CG-CD1 4.21Å; Q29-F112 HydrophobicContact CG-CG 4.44Å
30Q85.4Confident80.8Confident19 Ų1938.9 Ų38.99%0.08921%0.211CC..Hα-helixtrans-60.1-45.5173.7-72.8171.6-7.600111.1L26 Q27 V33 N34 L75 H76L26-Q30 WeakPolarHBondContact O-CG 3.29Å; L26-Q30 PolarHBondContact O-N 3.38Å; Q27-Q30 WeakPolarHBondContact O-CA 3.46Å; Q27-Q30 WeakPolarHBondContact O-CB 3.42Å; Q27-Q30 PolarHBondContact O-N 3.12Å; Q30-V33 PolarHBondContact O-N 3.49Å; Q30-N34 WeakPolarHBondContact O-CB 3.36Å; Q30-N34 PolarHBondContact O-N 2.89Å; Q30-L75 HydrophobicContact CG-CB 4.28Å; Q30-L75 HydrophobicContact CG-CD2 4.13Å; Q30-L75 PolarHBondContact NE2-O 3.44Å; Q30-H76 PolarHBondContact OE1-ND1 3.3Å
31D85.6Confident81.2Confident84 Ų8438.3 Ų38.345%0.44921%0.209SC..Hα-helixtrans-64.5-42.3177.4-66.5-25.6000111.5Q27 Q29 N34 I35Q27-D31 PolarHBondContact O-N 3.19Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; D31-N34 WeakPolarHBondContact O-CB 3.47Å; D31-N34 PolarHBondContact O-N 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.48Å; D31-I35 PolarHBondContact O-N 3.49Å
32A83.6Confident82Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-57.3-50173.600000112.8A28 Q29 N34 I35 V36 F112 L179 L183A28-A32 VanDerWaalsContact O-CB 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 3.03Å; Q29-A32 WeakPolarHBondContact O-CB 3.09Å; Q29-A32 PolarHBondContact O-N 3.44Å; A32-N34 VanDerWaalsContact C-N 3.25Å; A32-N34 PolarHBondContact O-N 3.09Å; A32-I35 PolarHBondContact O-N 3.38Å; A32-V36 WeakPolarHBondContact O-CG2 3.22Å; A32-V36 PolarHBondContact O-N 3.27Å; A32-F112 HydrophobicContact CB-CE1 3.8Å; A32-F112 HydrophobicContact CB-CZ 4.19Å; A32-L179 HydrophobicContact CB-CD2 3.87Å; A32-L183 HydrophobicContact CB-CD1 3.17Å
33V86.1Confident83Confident1 Ų144.9 Ų44.91%0.00623%0.232CC..Hα-helixtrans-62.4-38.7176.91750000110.2V8 Q29 Q30 I35 V36 C37 L75 F112V8-V33 HydrophobicContact CG1-CB 4.5Å; V8-V33 HydrophobicContact CG1-CG1 3.97Å; V8-V33 HydrophobicContact CG1-CG2 3.78Å; Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.28Å; Q29-V33 PolarHBondContact O-N 3.03Å; Q30-V33 PolarHBondContact O-N 3.49Å; V33-I35 PolarHBondContact O-N 3.41Å; V33-V36 PolarHBondContact O-N 3.32Å; V33-C37 WeakPolarHBondContact O-CB 2.89Å; V33-C37 PolarHBondContact O-N 3.15Å; V33-C37 PolarHBondContact O-SG 3.18Å; V33-L75 HydrophobicContact CB-CD1 4.05Å; V33-L75 HydrophobicContact CG1-CD1 3.7Å; V33-F112 HydrophobicContact CG2-CD2 4.33Å; V33-F112 HydrophobicContact CG2-CE2 3.86Å; V33-F112 HydrophobicContact CG2-CZ 4.15Å
34N87.5Confident83.5Confident46 Ų4641.4 Ų41.425%0.24621%0.208CC..Hα-helixtrans-61.6-44.6178-166.723.2000112.4Q30 D31 A32 C37 H38 L72Q30-N34 WeakPolarHBondContact O-CB 3.36Å; Q30-N34 PolarHBondContact O-N 2.89Å; D31-N34 WeakPolarHBondContact O-CB 3.47Å; D31-N34 PolarHBondContact O-N 3.45Å; A32-N34 VanDerWaalsContact C-N 3.25Å; A32-N34 PolarHBondContact O-N 3.09Å; N34-C37 PolarHBondContact O-N 2.95Å; N34-H38 WeakPolarHBondContact O-CB 3.36Å; N34-H38 PolarHBondContact O-N 3.34Å; N34-H38 PolarHBondContact O-ND1 3.31Å; N34-H38 PolarHBondContact OD1-CE1 3.17Å; N34-H38 PolarHBondContact OD1-ND1 3.26Å; N34-L72 HydrophobicContact CB-CD2 4.14Å
35I85.9Confident83.5Confident52 Ų5243.8 Ų43.827%0.26722%0.224SC..Hα-helixtrans-62.9-45.7176.7-68.3164.8000110.7D31 A32 V33 H38 S39 A180 I184D31-I35 WeakPolarHBondContact O-CG1 3.48Å; D31-I35 PolarHBondContact O-N 3.49Å; A32-I35 PolarHBondContact O-N 3.38Å; V33-I35 PolarHBondContact O-N 3.41Å; I35-H38 PolarHBondContact O-N 3.06Å; I35-S39 WeakPolarHBondContact O-CB 3.49Å; I35-S39 PolarHBondContact O-N 3.46Å; I35-A180 HydrophobicContact CD1-CB 3.75Å; I35-I184 HydrophobicContact CD1-CD1 4.47Å; I35-I184 HydrophobicContact CG2-CG1 4.28Å
36V84.3Confident83.7Confident5 Ų549.6 Ų49.63%0.0325%0.252CS..Hα-helixtrans-61.6-46.5178.6170.90000110.9A32 V33 S39 K40 I110A32-V36 WeakPolarHBondContact O-CG2 3.22Å; A32-V36 PolarHBondContact O-N 3.27Å; V33-V36 PolarHBondContact O-N 3.32Å; V36-S39 PolarHBondContact O-N 3.05Å; V36-K40 WeakPolarHBondContact O-CB 3.38Å; V36-K40 WeakPolarHBondContact O-CG 3.43Å; V36-K40 PolarHBondContact O-N 3.49Å; V36-I110 HydrophobicContact CG1-CD1 3.49Å; V36-I110 VanDerWaalsContact CG1-CD1 3.49Å
37C83.4Confident83.9Confident3 Ų348.2 Ų48.22%0.0225%0.245CC..Hα-helixtrans-57.6-52.9175.7-71.10000111.1V33 N34 S39 K40 T41 T68V33-C37 WeakPolarHBondContact O-CB 2.89Å; V33-C37 PolarHBondContact O-N 3.15Å; V33-C37 PolarHBondContact O-SG 3.18Å; N34-C37 PolarHBondContact O-N 2.95Å; C37-S39 VanDerWaalsContact C-N 3.34Å; C37-S39 PolarHBondContact O-N 3.42Å; C37-K40 PolarHBondContact O-N 3.08Å; C37-T41 PolarHBondContact O-N 2.82Å; C37-T41 PolarHBondContact O-OG1 3.21Å; C37-T68 HydrophobicContact CB-CG2 4.13Å
38H84.7Confident84Confident91 Ų9146 Ų4642%0.42124%0.235SC..Hα-helixtrans-61.5-40.9-179.3-8283.3000112.5N34 I35 T41 R42N34-H38 WeakPolarHBondContact O-CB 3.36Å; N34-H38 PolarHBondContact O-N 3.34Å; N34-H38 PolarHBondContact O-ND1 3.31Å; N34-H38 PolarHBondContact OD1-CE1 3.17Å; N34-H38 PolarHBondContact OD1-ND1 3.26Å; I35-H38 PolarHBondContact O-N 3.06Å; H38-T41 PolarHBondContact O-N 2.84Å; H38-R42 VanDerWaalsContact O-CB 3.24Å; H38-R42 WeakPolarHBondContact O-CB 3.19Å; H38-R42 PolarHBondContact O-N 2.93Å
39S84.1Confident84.3Confident35 Ų3545.8 Ų45.825%0.24523%0.233CC..Hα-helixtrans-67.3-38.3178.1-168.50000112.2I35 V36 C37 R42 S43 L189I35-S39 WeakPolarHBondContact O-CB 3.49Å; I35-S39 PolarHBondContact O-N 3.46Å; V36-S39 PolarHBondContact O-N 3.05Å; C37-S39 VanDerWaalsContact C-N 3.34Å; C37-S39 PolarHBondContact O-N 3.42Å; S39-R42 PolarHBondContact O-N 3.13Å; S39-S43 WeakPolarHBondContact O-CB 3.49Å; S39-S43 PolarHBondContact O-N 3.43Å; S39-S43 PolarHBondContact O-OG 3.14Å; S39-L189 WeakPolarHBondContact OG-CD2 3.41Å
40K82.8Confident84.7Confident11 Ų1145.5 Ų45.55%0.04823%0.232CC..Hα-helixtrans-70.3-37.9177.8-72.3-64.1-173.9-178.50112.3E4 V36 C37 S43 N44 N47 E192E4-K40 IonicContact OE2-NZ 2.91Å; E4-K40 PolarHBondContact OE2-NZ 2.9Å; V36-K40 WeakPolarHBondContact O-CB 3.38Å; V36-K40 WeakPolarHBondContact O-CG 3.43Å; V36-K40 PolarHBondContact O-N 3.49Å; C37-K40 PolarHBondContact O-N 3.08Å; K40-S43 PolarHBondContact O-N 3.25Å; K40-N44 PolarHBondContact O-N 3.28Å; K40-N47 PolarHBondContact O-ND2 2.93Å; K40-E192 IonicContact NZ-OE2 2.73Å; K40-E192 PolarHBondContact NZ-OE2 3.06Å
41T82.2Confident84.9Confident42 Ų4244.6 Ų44.626%0.25823%0.228SC..Hα-helixtrans-69.1-35.8172.9-53.20000112.2C37 H38 N44C37-T41 PolarHBondContact O-N 2.82Å; C37-T41 PolarHBondContact O-OG1 3.21Å; H38-T41 PolarHBondContact O-N 2.84Å; T41-N44 CarbonylContact C-O 3.43Å; T41-N44 CarbonylContact O-C 3.49Å
42R84.5Confident85.1Confident225 Ų22540.6 Ų40.685%0.84921%0.206SC*.Hα-helixtrans-69-35.6174.6-173.2-178.2-70.7-171.1-1.8111.9H38 S39H38-R42 VanDerWaalsContact O-CB 3.24Å; H38-R42 WeakPolarHBondContact O-CB 3.19Å; H38-R42 PolarHBondContact O-N 2.93Å; S39-R42 PolarHBondContact O-N 3.13Å
43S82.9Confident85.3Confident45 Ų4541 Ų4132%0.31521%0.209SC..Hα-helixtrans-66.2-43177.8-600000111.5S39 K40S39-S43 WeakPolarHBondContact O-CB 3.49Å; S39-S43 PolarHBondContact O-N 3.43Å; S39-S43 PolarHBondContact O-OG 3.14Å; K40-S43 PolarHBondContact O-N 3.25Å
44N82.3Confident85.1Confident21 Ų2141 Ų4111%0.11221%0.208CC..  trans-148135.9165.6-55.3-88.7000110.4M1 V2 K40 T41 E46 N47M1-N44 WeakPolarHBondContact CB-OD1 3.29Å; V2-N44 PolarHBondContact O-ND2 3.24Å; K40-N44 PolarHBondContact O-N 3.28Å; T41-N44 CarbonylContact C-O 3.43Å; T41-N44 CarbonylContact O-C 3.49Å; N44-E46 PolarHBondContact O-N 3.38Å; N44-N47 HydrophobicContact CB-CB 4.45Å; N44-N47 PolarHBondContact ND2-ND2 3.2Å; N44-N47 WeakPolarHBondContact O-CB 3.29Å; N44-N47 PolarHBondContact O-N 2.67Å
45P80.4Confident84.6Confident108 Ų10839.4 Ų39.470%0.70120%0.202SC*.THydrogen-bonded Turntrans-68.3-20.4176.727.7-34.6000113.4N47P45-N47 VanDerWaalsContact C-N 3.34Å
46E82.2Confident83.8Confident128 Ų12841.1 Ų41.160%0.59821%0.212SC*.THydrogen-bonded Turntrans-87.3-2177-62.3-170.6163.500113.6L3 N44 N48L3-E46 HydrophobicContact CD2-CB 3.7Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.35Å; N44-E46 PolarHBondContact O-N 3.38Å; E46-N48 PolarHBondContact O-N 3.18Å; E46-N48 PolarHBondContact O-ND2 2.89Å
47N85.3Confident83.2Confident1 Ų147.1 Ų47.11%0.00524%0.244CC..  trans-67.6132.4176.9-82.5-8.8000110.4E4 K40 N44 P45E4-N47 PolarHBondContact N-OD1 3.46Å; E4-N47 PolarHBondContact O-OD1 3.47Å; K40-N47 PolarHBondContact O-ND2 2.93Å; N44-N47 HydrophobicContact CB-CB 4.45Å; N44-N47 PolarHBondContact ND2-ND2 3.2Å; N44-N47 WeakPolarHBondContact O-CB 3.29Å; N44-N47 PolarHBondContact O-N 2.67Å; P45-N47 VanDerWaalsContact C-N 3.34Å
48N86.7Confident82.7Confident35 Ų3548 Ų4819%0.18725%0.25CC..EExtended strand (participates in β ladder)trans-103.5134.3179.1-66.2-71.4000110E4 T6 E46 L64E4-N48 PolarHBondContact O-N 3.29Å; T6-N48 PolarHBondContact N-O 3.42Å; E46-N48 PolarHBondContact O-N 3.18Å; E46-N48 PolarHBondContact O-ND2 2.89Å; N48-L64 HydrophobicContact CB-CB 4.04Å; N48-L64 HydrophobicContact CB-CD2 4.19Å
49V88.1Confident82.5Confident4 Ų449.5 Ų49.52%0.02426%0.257CS..EExtended strand (participates in β ladder)trans-115.9134.4175.4-170.90000109.6T6 V8 T65 I71T6-V49 WeakPolarHBondContact O-CA 3.33Å; V8-V49 HydrophobicContact CG2-CG1 3.82Å; V49-T65 PolarHBondContact N-O 3.07Å; V49-T65 PolarHBondContact O-N 3.29Å; V49-T65 VanDerWaalsContact O-O 3.04Å; V49-I71 HydrophobicContact CB-CD1 3.86Å; V49-I71 HydrophobicContact CG1-CD1 3.97Å
50G89.8Confident82.6Confident0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-116.2156.6172.700000111.1T6 V8T6-G50 PolarHBondContact O-N 2.96Å; V8-G50 WeakPolarHBondContact CB-O 3.31Å; V8-G50 PolarHBondContact N-O 3.38Å
51L89.7Confident82.7Confident0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-125.1123.5177.7-176.374.7000110.1V8 V10 L61 T62 I71 K74 L75V8-L51 HydrophobicContact CB-CD1 4.5Å; V8-L51 HydrophobicContact CG1-CD1 4.37Å; V8-L51 WeakPolarHBondContact O-CA 3.48Å; V10-L51 HydrophobicContact CB-CD1 4.22Å; V10-L51 HydrophobicContact CG1-CD1 4.15Å; L51-L61 HydrophobicContact CD2-CB 4.08Å; L51-L61 HydrophobicContact CD2-CD1 3.82Å; L51-L61 HydrophobicContact CG-CB 4.43Å; L51-L61 HydrophobicContact CG-CD1 4.27Å; L51-L61 PolarHBondContact O-N 3.2Å; L51-L61 VanDerWaalsContact O-N 3.14Å; L51-T62 PolarHBondContact N-O 2.9Å; L51-T62 PolarHBondContact O-N 3.42Å; L51-I71 HydrophobicContact CB-CG2 4.17Å; L51-I71 HydrophobicContact CD1-CG2 4.47Å; L51-I71 HydrophobicContact CD2-CG2 4.18Å; L51-K74 HydrophobicContact CD2-CB 4.43Å; L51-L75 HydrophobicContact CD1-CD1 4.47Å; L51-L75 HydrophobicContact CD1-CD2 4.4Å; L51-L75 HydrophobicContact CD1-CG 4.34Å; L51-L75 HydrophobicContact CD2-CD1 4.45Å; L51-L75 HydrophobicContact CD2-CD2 4.43Å; L51-L75 HydrophobicContact CD2-CG 3.82Å
52I90.5Very high82.9Confident0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-125151.6172.469.6175.1000110.4M7 V8 C9 V10 V60 A93M7-I52 HydrophobicContact CG-CD1 4.21Å; M7-I52 HydrophobicContact CG-CG1 4.38Å; M7-I52 HydrophobicContact CG-CG2 4.13Å; M7-I52 HydrophobicContact SD-CG2 3.63Å; V8-I52 PolarHBondContact O-N 2.91Å; C9-I52 CarbonylContact C-O 3.59Å; C9-I52 WeakPolarHBondContact CA-O 3.1Å; C9-I52 HydrophobicContact CB-CD1 4.06Å; C9-I52 HydrophobicContact CB-CG1 3.73Å; C9-I52 WeakPolarHBondContact SG-CD1 3.37Å; V10-I52 WeakPolarHBondContact CG1-O 3.33Å; V10-I52 PolarHBondContact N-O 3.46Å; I52-V60 HydrophobicContact CG2-CB 4.46Å; I52-V60 HydrophobicContact CG2-CG1 4.34Å; I52-V60 HydrophobicContact CG2-CG2 4.07Å; I52-A93 HydrophobicContact CD1-CB 3.54Å
53T87.8Confident83.1Confident8 Ų844.8 Ų44.85%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-101148171.5-178.40000111.8V10 N12 A55 C58 E59V10-T53 CarbonylContact O-C 3.07Å; V10-T53 WeakPolarHBondContact O-CA 3.43Å; N12-T53 PolarHBondContact ND2-OG1 3.36Å; T53-A55 PolarHBondContact OG1-N 2.64Å; T53-C58 WeakPolarHBondContact O-CA 3.5Å; T53-C58 WeakPolarHBondContact O-CB 3.22Å; T53-E59 HydrophobicContact CG2-CB 3.98Å; T53-E59 WeakPolarHBondContact CG2-O 3.16Å; T53-E59 PolarHBondContact N-O 3.49Å; T53-E59 VanDerWaalsContact N-O 3.08Å
54L82Confident83.3Confident0 Ų044.2 Ų44.20%024%0.244CC..  trans-100.26.6177.3-61.5178.2000114.2C9 V10 I84 T85C9-L54 HydrophobicContact CB-CD1 3.83Å; C9-L54 HydrophobicContact CB-CD2 3.93Å; C9-L54 HydrophobicContact CB-CG 3.83Å; V10-L54 PolarHBondContact O-N 3.05Å; L54-I84 HydrophobicContact CB-CD1 4.36Å; L54-I84 HydrophobicContact CB-CG1 4Å; L54-I84 HydrophobicContact CD1-CD1 4.15Å; L54-T85 PolarHBondContact O-N 2.63Å
55A77.8Confident83.4Confident14 Ų1443.7 Ų43.712%0.11624%0.241CC..BIsolated β-bridgetrans-83.9129-177.800000112.6N12 T53 D57N12-A55 HydrophobicContact CB-CB 3.98Å; T53-A55 PolarHBondContact OG1-N 2.64Å; A55-D57 VanDerWaalsContact C-N 3.33Å; A55-D57 CarbonylContact O-C 3.58Å; A55-D57 PolarHBondContact O-N 3.38Å
56N68.5Low83.7Confident88 Ų8841.5 Ų41.547%0.47123%0.227SC..SBendtrans42.9-82.4174.1-62.2-22.1000114.7K83N56-K83 PolarHBondContact N-O 3.39Å; N56-K83 PolarHBondContact OD1-N 3.32Å; N56-K83 PolarHBondContact OD1-O 3.01Å
57D71.1Confident83.8Confident130 Ų13039.6 Ų39.670%0.69522%0.221SC*.SBendtrans-99.3108.6170.8-64.4-42.8000108.9A55 E59A55-D57 VanDerWaalsContact C-N 3.33Å; A55-D57 CarbonylContact O-C 3.58Å; A55-D57 PolarHBondContact O-N 3.38Å; D57-E59 PolarHBondContact O-N 2.64Å
58C73.6Confident83.7Confident23 Ų2341.3 Ų41.316%0.15523%0.232CC..  trans-65.899-178.8-58.20000110.8T53 G89 V92T53-C58 WeakPolarHBondContact O-CA 3.5Å; T53-C58 WeakPolarHBondContact O-CB 3.22Å; C58-G89 WeakPolarHBondContact SG-CA 3.34Å; C58-G89 PolarHBondContact SG-N 3.44Å; C58-V92 HydrophobicContact CB-CB 4.37Å; C58-V92 HydrophobicContact CB-CG2 4.1Å
59E80.8Confident83.6Confident122 Ų12241.5 Ų41.557%0.5724%0.242SC*.  trans-91.9143.6177-69.1179179.200111.6T53 D57 L61T53-E59 HydrophobicContact CG2-CB 3.98Å; T53-E59 WeakPolarHBondContact CG2-O 3.16Å; T53-E59 PolarHBondContact N-O 3.49Å; T53-E59 VanDerWaalsContact N-O 3.08Å; D57-E59 PolarHBondContact O-N 2.64Å; E59-L61 PolarHBondContact O-N 2.8Å
60V85.4Confident83.6Confident65 Ų6548 Ų4839%0.39427%0.266SS..EExtended strand (participates in β ladder)trans-89.1102.9171.1-178.20000107.5I52 T63 V92I52-V60 HydrophobicContact CG2-CB 4.46Å; I52-V60 HydrophobicContact CG2-CG1 4.34Å; I52-V60 HydrophobicContact CG2-CG2 4.07Å; V60-T63 HydrophobicContact CG1-CG2 4.32Å; V60-V92 HydrophobicContact CG2-CG1 3.81Å
61L84.8Confident83.4Confident49 Ų4948.1 Ų48.126%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-74.7-35.8-179.5-68.6168.5000111.5L51 E59 K74 V78L51-L61 HydrophobicContact CD2-CB 4.08Å; L51-L61 HydrophobicContact CD2-CD1 3.82Å; L51-L61 HydrophobicContact CG-CB 4.43Å; L51-L61 HydrophobicContact CG-CD1 4.27Å; L51-L61 PolarHBondContact O-N 3.2Å; L51-L61 VanDerWaalsContact O-N 3.14Å; E59-L61 PolarHBondContact O-N 2.8Å; L61-K74 HydrophobicContact CB-CB 4.45Å; L61-V78 HydrophobicContact CD1-CG2 3.8Å
62T87.6Confident83.1Confident6 Ų650.2 Ų50.24%0.03728%0.278CS..EExtended strand (participates in β ladder)trans-147.8125.1179.5-56.90000109L51 T65 R70 I71L51-T62 PolarHBondContact N-O 2.9Å; L51-T62 PolarHBondContact O-N 3.42Å; T62-T65 HydrophobicContact CG2-CG2 3.63Å; T62-R70 HydrophobicContact CG2-CG 4.04Å; T62-I71 HydrophobicContact CG2-CG1 4.15Å
63T87.5Confident83Confident93 Ų9354 Ų5457%0.57130%0.304SS*.EExtended strand (participates in β ladder)trans-67.5169.9171.853.80000110.8V60 T65V60-T63 HydrophobicContact CG1-CG2 4.32Å; T63-T65 PolarHBondContact O-N 3.44Å
64L86.8Confident82.9Confident33 Ų3358.4 Ų58.417%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-50.9116.6175-70.6173.6000110.7M7 N48 R100M7-L64 HydrophobicContact CE-CD2 3.64Å; M7-L64 HydrophobicContact CE-CG 3.95Å; N48-L64 HydrophobicContact CB-CB 4.04Å; N48-L64 HydrophobicContact CB-CD2 4.19Å; L64-R100 HydrophobicContact CD1-CB 3.72Å
65T86.3Confident83Confident11 Ų1158.5 Ų58.57%0.06732%0.323CS..EExtended strand (participates in β ladder)trans-145.5148.1-179.7-173.70000109.6V49 T62 T63 D67 I71V49-T65 PolarHBondContact N-O 3.07Å; V49-T65 PolarHBondContact O-N 3.29Å; V49-T65 VanDerWaalsContact O-O 3.04Å; T62-T65 HydrophobicContact CG2-CG2 3.63Å; T63-T65 PolarHBondContact O-N 3.44Å; T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact OG1-N 3.49Å; T65-I71 HydrophobicContact CG2-CD1 4.32Å; T65-I71 HydrophobicContact CG2-CG1 4.23Å
66P84.6Confident83.3Confident61 Ų6164 Ų6440%0.39635%0.346SS..SBendtrans-78.5-13.1169.531.8-35000112.5T68P66-T68 PolarHBondContact O-N 3.38Å
67D85.3Confident83.9Confident89 Ų8964.9 Ų64.948%0.47636%0.355SS..  trans-81.9100.9-172.8-64.6-32.2000112.6T65 G69 R70T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact OG1-N 3.49Å; D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.07Å; D67-R70 HydrophobicContact CB-CB 4.4Å; D67-R70 PolarHBondContact O-N 3.26Å
68T82.6Confident84.4Confident37 Ų3759.4 Ų59.423%0.22733%0.326CS..Hα-helixtrans-61.6-33.4176.858.90000113.1C37 P66 R70 I71 L72C37-T68 HydrophobicContact CB-CG2 4.13Å; P66-T68 PolarHBondContact O-N 3.38Å; T68-R70 VanDerWaalsContact C-N 3.31Å; T68-R70 PolarHBondContact O-N 3.08Å; T68-I71 WeakPolarHBondContact O-CB 3.39Å; T68-I71 PolarHBondContact O-N 2.88Å; T68-L72 WeakPolarHBondContact O-CG 3.42Å; T68-L72 PolarHBondContact O-N 3.4Å
69G86.1Confident84.7Confident39 Ų3964.6 Ų64.640%0.40235%0.348SS..Hα-helixtrans-63.5-32.6-179.400000114D67 S73D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.07Å; G69-S73 PolarHBondContact O-N 3.49Å; G69-S73 VanDerWaalsContact O-N 3.11Å; G69-S73 PolarHBondContact O-OG 2.86Å
70R86.3Confident84.7Confident139 Ų13960.4 Ų60.453%0.52533%0.331SS..Hα-helixtrans-68.2-41176.1-175.3178-69.3-168.31.4110.9T62 D67 T68 K74T62-R70 HydrophobicContact CG2-CG 4.04Å; D67-R70 HydrophobicContact CB-CB 4.4Å; D67-R70 PolarHBondContact O-N 3.26Å; T68-R70 VanDerWaalsContact C-N 3.31Å; T68-R70 PolarHBondContact O-N 3.08Å; R70-K74 WeakPolarHBondContact O-CG 3.41Å; R70-K74 PolarHBondContact O-N 3.07Å
71I86.3Confident84.4Confident3 Ų364 Ų642%0.01534%0.342CS..Hα-helixtrans-63.7-47.2178.7-59.7172.3000110V49 L51 T62 T65 T68 S73 K74 L75V49-I71 HydrophobicContact CB-CD1 3.86Å; V49-I71 HydrophobicContact CG1-CD1 3.97Å; L51-I71 HydrophobicContact CB-CG2 4.17Å; L51-I71 HydrophobicContact CD1-CG2 4.47Å; L51-I71 HydrophobicContact CD2-CG2 4.18Å; T62-I71 HydrophobicContact CG2-CG1 4.15Å; T65-I71 HydrophobicContact CG2-CD1 4.32Å; T65-I71 HydrophobicContact CG2-CG1 4.23Å; T68-I71 WeakPolarHBondContact O-CB 3.39Å; T68-I71 PolarHBondContact O-N 2.88Å; I71-S73 PolarHBondContact O-N 2.97Å; I71-K74 PolarHBondContact O-N 3.23Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CB 3.47Å; I71-L75 PolarHBondContact O-N 2.91Å
72L84.4Confident84.1Confident45 Ų4562.3 Ų62.324%0.23634%0.336CS..Hα-helixtrans-61.1-45.5178.8-70.2170.1000112.6N34 T68 K74 L75 H76N34-L72 HydrophobicContact CB-CD2 4.14Å; T68-L72 WeakPolarHBondContact O-CG 3.42Å; T68-L72 PolarHBondContact O-N 3.4Å; L72-K74 VanDerWaalsContact C-N 3.25Å; L72-K74 PolarHBondContact O-N 3.35Å; L72-L75 WeakPolarHBondContact O-CB 3Å; L72-L75 PolarHBondContact O-N 3.24Å; L72-H76 PolarHBondContact O-CD2 3.36Å; L72-H76 PolarHBondContact O-N 2.77Å
73S87.9Confident83.8Confident78 Ų7866.8 Ų66.855%0.54536%0.355SS..Hα-helixtrans-59.3-38.9178.5-580000111.9G69 I71 T77G69-S73 PolarHBondContact O-N 3.49Å; G69-S73 VanDerWaalsContact O-N 3.11Å; G69-S73 PolarHBondContact O-OG 2.86Å; I71-S73 PolarHBondContact O-N 2.97Å; S73-T77 PolarHBondContact O-OG1 3.45Å; S73-T77 VanDerWaalsContact O-OG1 3.05Å
74K85.8Confident83.6Confident102 Ų10262.8 Ų62.844%0.44333%0.33SS..Hα-helixtrans-73.8-38.8177-66.2-62.4-176.5-179.60112.1L51 L61 R70 I71 L72 H76 T77 V78L51-K74 HydrophobicContact CD2-CB 4.43Å; L61-K74 HydrophobicContact CB-CB 4.45Å; R70-K74 WeakPolarHBondContact O-CG 3.41Å; R70-K74 PolarHBondContact O-N 3.07Å; I71-K74 PolarHBondContact O-N 3.23Å; L72-K74 VanDerWaalsContact C-N 3.25Å; L72-K74 PolarHBondContact O-N 3.35Å; K74-H76 VanDerWaalsContact C-N 3.34Å; K74-H76 PolarHBondContact O-N 3.38Å; K74-T77 PolarHBondContact O-N 3.07Å; K74-T77 VanDerWaalsContact O-N 3.15Å; K74-V78 PolarHBondContact O-N 3.01Å
75L83.1Confident83.4Confident2 Ų263.4 Ų63.41%0.0134%0.335CS..Hα-helixtrans-59.6-38.7174.3-94.2161.4000113.2V10 Q30 V33 L51 I71 L72 T77 V78V10-L75 HydrophobicContact CG2-CD2 4.07Å; Q30-L75 HydrophobicContact CG-CB 4.28Å; Q30-L75 HydrophobicContact CG-CD2 4.13Å; Q30-L75 PolarHBondContact NE2-O 3.44Å; V33-L75 HydrophobicContact CB-CD1 4.05Å; V33-L75 HydrophobicContact CG1-CD1 3.7Å; L51-L75 HydrophobicContact CD1-CD1 4.47Å; L51-L75 HydrophobicContact CD1-CD2 4.4Å; L51-L75 HydrophobicContact CD1-CG 4.34Å; L51-L75 HydrophobicContact CD2-CD1 4.45Å; L51-L75 HydrophobicContact CD2-CD2 4.43Å; L51-L75 HydrophobicContact CD2-CG 3.82Å; I71-L75 HydrophobicContact CG2-CD1 3.91Å; I71-L75 WeakPolarHBondContact O-CB 3.47Å; I71-L75 PolarHBondContact O-N 2.91Å; L72-L75 WeakPolarHBondContact O-CB 3Å; L72-L75 PolarHBondContact O-N 3.24Å; L75-T77 VanDerWaalsContact C-N 3.25Å; L75-T77 PolarHBondContact O-N 2.91Å; L75-V78 WeakPolarHBondContact O-CB 3.38Å; L75-V78 PolarHBondContact O-N 2.66Å
76H83.9Confident83.2Confident128 Ų12862.9 Ų62.959%0.59333%0.332SS*.Hα-helixtrans-69.5-22.8176.9-73.3-61.9000113.8Q30 L72 K74 V78Q30-H76 PolarHBondContact OE1-ND1 3.3Å; L72-H76 PolarHBondContact O-CD2 3.36Å; L72-H76 PolarHBondContact O-N 2.77Å; K74-H76 VanDerWaalsContact C-N 3.34Å; K74-H76 PolarHBondContact O-N 3.38Å; H76-V78 VanDerWaalsContact C-N 3.3Å
77T83Confident83.2Confident108 Ų10860.5 Ų60.566%0.66332%0.317SS*.Hα-helixtrans-82.7-13.1178.5-48.20000111.9S73 K74 L75 Q79S73-T77 PolarHBondContact O-OG1 3.45Å; S73-T77 VanDerWaalsContact O-OG1 3.05Å; K74-T77 PolarHBondContact O-N 3.07Å; K74-T77 VanDerWaalsContact O-N 3.15Å; L75-T77 VanDerWaalsContact C-N 3.25Å; L75-T77 PolarHBondContact O-N 2.91Å; T77-Q79 PolarHBondContact O-N 2.9Å
78V81.4Confident83.2Confident15 Ų1558.4 Ų58.49%0.09131%0.307CS..  trans-68.5130.4-178.8163.30000110.7N12 L26 L61 K74 L75 H76N12-V78 HydrophobicContact CB-CG1 4.2Å; N12-V78 WeakPolarHBondContact ND2-CG1 3.08Å; N12-V78 WeakPolarHBondContact OD1-CG1 3.4Å; L26-V78 HydrophobicContact CD1-CG1 4.35Å; L61-V78 HydrophobicContact CD1-CG2 3.8Å; K74-V78 PolarHBondContact O-N 3.01Å; L75-V78 WeakPolarHBondContact O-CB 3.38Å; L75-V78 PolarHBondContact O-N 2.66Å; H76-V78 VanDerWaalsContact C-N 3.3Å
79Q79.3Confident83.4Confident131 Ų13156.7 Ų56.761%0.61230%0.296SS*.  trans-108.5139.6172.7-65.4-177.14.300110.1T77 K81T77-Q79 PolarHBondContact O-N 2.9Å; Q79-K81 PolarHBondContact O-N 2.79Å
80P80.1Confident83.4Confident35 Ų3555 Ų5523%0.22728%0.278CS..  trans-75.598.1176.431.1-33000109.3N12 M16 R17N12-P80 CarbonylContact O-C 3.37Å; N12-P80 WeakPolarHBondContact O-CA 3.43Å; M16-P80 HydrophobicContact CB-CB 3.91Å; R17-P80 HydrophobicContact CG-CB 3.9Å; R17-P80 HydrophobicContact CG-CG 3.63Å
81K79.2Confident83.4Confident140 Ų14054.4 Ų54.461%0.60928%0.276SS*.  trans-146.7140.1177.665.1-178.3-177.8-179.80110.4N12 Q79N12-K81 CarbonylContact O-C 3.55Å; N12-K81 PolarHBondContact O-N 3.03Å; Q79-K81 PolarHBondContact O-N 2.79Å
82G79.4Confident83.5Confident13 Ų1356.1 Ų56.113%0.13429%0.287CS..SBendtrans99.8-172.8170.500000115.1S13 E14S13-G82 WeakPolarHBondContact CA-O 3.47Å; E14-G82 PolarHBondContact N-O 2.71Å
83K81.1Confident83.7Confident100 Ų10054 Ų5444%0.43528%0.275SS..  trans-111.1142.3-177-165.6173.8-168.9173.30109.7N56 E118N56-K83 PolarHBondContact N-O 3.39Å; N56-K83 PolarHBondContact OD1-N 3.32Å; N56-K83 PolarHBondContact OD1-O 3.01Å; K83-E118 WeakPolarHBondContact CE-OE1 3.01Å; K83-E118 WeakPolarHBondContact CE-OE2 3.23Å; K83-E118 IonicContact NZ-OE1 3.64Å; K83-E118 PolarHBondContact NZ-OE1 3.47Å; K83-E118 IonicContact NZ-OE2 3.05Å; K83-E118 PolarHBondContact NZ-OE2 3.48Å
84I82.5Confident83.5Confident9 Ų950.8 Ų50.85%0.04625%0.252CS..BIsolated β-bridgetrans-71136.4175.8-167.2169.9000110.4D11 L54 V113 S115D11-I84 HydrophobicContact CB-CD1 4.24Å; L54-I84 HydrophobicContact CB-CD1 4.36Å; L54-I84 HydrophobicContact CB-CG1 4Å; L54-I84 HydrophobicContact CD1-CD1 4.15Å; I84-V113 HydrophobicContact CD1-CG1 4.06Å; I84-S115 VanDerWaalsContact CB-OG 3.32Å; I84-S115 WeakPolarHBondContact CB-OG 3.44Å; I84-S115 WeakPolarHBondContact CG2-OG 3.47Å
85T83.8Confident83.6Confident46 Ų4650.7 Ų50.728%0.28226%0.255SS..  trans-128.2102.8165.4-51.10000109.2L54 T88 G89L54-T85 PolarHBondContact O-N 2.63Å; T85-T88 WeakPolarHBondContact CB-OG1 3.47Å; T85-T88 WeakPolarHBondContact CG2-OG1 3.42Å; T85-T88 PolarHBondContact O-OG1 2.82Å; T85-G89 PolarHBondContact O-N 2.98Å
86F82.1Confident83.7Confident1 Ų151.5 Ų51.50%0.00426%0.262CS..Hα-helixtrans-77-37-171.1-176.5-99.2000111.9T88 G89 I90 A111 V113 V117 D119 L124 I140 F156F86-T88 PolarHBondContact O-N 3.09Å; F86-G89 PolarHBondContact O-N 3.08Å; F86-I90 HydrophobicContact CD1-CG1 4.03Å; F86-I90 HydrophobicContact CD2-CG1 4.39Å; F86-I90 HydrophobicContact CE1-CD1 4.22Å; F86-I90 HydrophobicContact CE1-CG1 3.64Å; F86-I90 HydrophobicContact CE2-CD1 3.93Å; F86-I90 HydrophobicContact CE2-CG1 4.02Å; F86-I90 HydrophobicContact CG-CG1 4.4Å; F86-I90 HydrophobicContact CZ-CD1 3.69Å; F86-I90 HydrophobicContact CZ-CG1 3.64Å; F86-I90 WeakPolarHBondContact O-CG1 3.47Å; F86-I90 PolarHBondContact O-N 3.47Å; F86-A111 HydrophobicContact CE2-CB 4.12Å; F86-V113 HydrophobicContact CD2-CG2 4.32Å; F86-V113 HydrophobicContact CE2-CG2 4.26Å; F86-V117 HydrophobicContact CB-CG2 3.77Å; F86-D119 WeakPolarHBondContact CB-OD2 3.36Å; F86-D119 PolarHBondContact N-OD2 2.8Å; F86-D119 VanDerWaalsContact N-OD2 3.08Å; F86-L124 HydrophobicContact CD1-CD2 3.63Å; F86-L124 HydrophobicContact CE1-CD2 3.8Å; F86-I140 HydrophobicContact CZ-CD1 4.23Å; F86-I140 HydrophobicContact CZ-CG1 4.41Å; F86-F156 HydrophobicContact CE1-CE1 4.43Å; F86-F156 HydrophobicContact CE1-CZ 4.47Å; F86-F156 HydrophobicContact CZ-CE1 4.49Å
87C83.3Confident83.7Confident11 Ų1145.4 Ų45.47%0.07423%0.234CC..Hα-helixtrans-60.2-38.2179.9-83.30000114.3R91 D119 L127C87-R91 WeakPolarHBondContact O-CG 3.44Å; C87-R91 PolarHBondContact O-NE 2.86Å; C87-D119 PolarHBondContact N-OD2 2.78Å; C87-D119 PolarHBondContact SG-OD1 3.05Å; C87-D119 VanDerWaalsContact SG-OD1 3.36Å; C87-L127 HydrophobicContact CB-CD1 4.09Å
88T86.1Confident83.7Confident45 Ų4545.7 Ų45.728%0.27623%0.226SC..Hα-helixtrans-74.2-43.2174.927.10000110.8T85 F86 I90 R91 V92T85-T88 WeakPolarHBondContact CB-OG1 3.47Å; T85-T88 WeakPolarHBondContact CG2-OG1 3.42Å; T85-T88 PolarHBondContact O-OG1 2.82Å; F86-T88 PolarHBondContact O-N 3.09Å; T88-I90 PolarHBondContact O-N 3.25Å; T88-R91 WeakPolarHBondContact O-CB 3.39Å; T88-R91 PolarHBondContact O-N 3.5Å; T88-R91 VanDerWaalsContact O-N 3.07Å; T88-V92 WeakPolarHBondContact O-CG2 3.49Å; T88-V92 PolarHBondContact O-N 3.36Å
89G85.9Confident83.7Confident0 Ų052.4 Ų52.40%026%0.256CS..Hα-helixtrans-54.5-48.8179.600000113.4C58 T85 F86 R91 V92 A93C58-G89 WeakPolarHBondContact SG-CA 3.34Å; C58-G89 PolarHBondContact SG-N 3.44Å; T85-G89 PolarHBondContact O-N 2.98Å; F86-G89 PolarHBondContact O-N 3.08Å; G89-R91 VanDerWaalsContact C-N 3.32Å; G89-R91 PolarHBondContact O-N 2.88Å; G89-V92 PolarHBondContact O-N 2.7Å; G89-A93 WeakPolarHBondContact O-CB 3.18Å; G89-A93 PolarHBondContact O-N 3.24Å
90I87.2Confident83.6Confident3 Ų348.9 Ų48.92%0.01524%0.237CC..Hα-helixtrans-64.2-35.8178.2-64.6-60.3000112.4F86 T88 H94 I109 L131F86-I90 HydrophobicContact CD1-CG1 4.03Å; F86-I90 HydrophobicContact CD2-CG1 4.39Å; F86-I90 HydrophobicContact CE1-CD1 4.22Å; F86-I90 HydrophobicContact CE1-CG1 3.64Å; F86-I90 HydrophobicContact CE2-CD1 3.93Å; F86-I90 HydrophobicContact CE2-CG1 4.02Å; F86-I90 HydrophobicContact CG-CG1 4.4Å; F86-I90 HydrophobicContact CZ-CD1 3.69Å; F86-I90 HydrophobicContact CZ-CG1 3.64Å; F86-I90 WeakPolarHBondContact O-CG1 3.47Å; F86-I90 PolarHBondContact O-N 3.47Å; T88-I90 PolarHBondContact O-N 3.25Å; I90-H94 WeakPolarHBondContact O-CB 3.15Å; I90-H94 PolarHBondContact O-N 3.34Å; I90-I109 HydrophobicContact CD1-CG2 4.32Å; I90-L131 HydrophobicContact CG2-CD1 3.91Å; I90-L131 HydrophobicContact CG2-CD2 4.26Å; I90-L131 HydrophobicContact CG2-CG 4.48Å
91R86.6Confident83.1Confident127 Ų12757 Ų5748%0.47927%0.272SS..Hα-helixtrans-67.3-41.4177-75.7-178.6-78.4166.1-6111.8C87 T88 G89 L95 L127C87-R91 WeakPolarHBondContact O-CG 3.44Å; C87-R91 PolarHBondContact O-NE 2.86Å; T88-R91 WeakPolarHBondContact O-CB 3.39Å; T88-R91 PolarHBondContact O-N 3.5Å; T88-R91 VanDerWaalsContact O-N 3.07Å; G89-R91 VanDerWaalsContact C-N 3.32Å; G89-R91 PolarHBondContact O-N 2.88Å; R91-L95 PolarHBondContact O-N 3.36Å; R91-L95 VanDerWaalsContact O-N 3.09Å; R91-L127 HydrophobicContact CG-CD2 3.81Å
92V88.4Confident82.6Confident40 Ų4051.4 Ų51.424%0.24226%0.255CS..Hα-helixtrans-69.2-42.6176.7176.50000110.6C58 V60 T88 G89 H94 L95 A96C58-V92 HydrophobicContact CB-CB 4.37Å; C58-V92 HydrophobicContact CB-CG2 4.1Å; V60-V92 HydrophobicContact CG2-CG1 3.81Å; T88-V92 WeakPolarHBondContact O-CG2 3.49Å; T88-V92 PolarHBondContact O-N 3.36Å; G89-V92 PolarHBondContact O-N 2.7Å; V92-H94 VanDerWaalsContact C-N 3.29Å; V92-H94 PolarHBondContact O-N 3.15Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 3.45Å; V92-L95 VanDerWaalsContact O-N 3.08Å; V92-A96 PolarHBondContact O-N 3.11Å
93A87.7Confident82.3Confident0 Ų059.5 Ų59.50%029%0.286CS..Hα-helixtrans-55.1-46.7174.500000111.5M7 I52 G89 L95 A96 L97 I109M7-A93 HydrophobicContact CG-CB 4.17Å; I52-A93 HydrophobicContact CD1-CB 3.54Å; G89-A93 WeakPolarHBondContact O-CB 3.18Å; G89-A93 PolarHBondContact O-N 3.24Å; A93-L95 PolarHBondContact O-N 3.35Å; A93-A96 PolarHBondContact O-N 3.12Å; A93-L97 WeakPolarHBondContact O-CG 3.24Å; A93-L97 PolarHBondContact O-N 3.33Å; A93-I109 HydrophobicContact CB-CD1 3.84Å; A93-I109 HydrophobicContact CB-CG1 4.36Å; A93-I109 HydrophobicContact CB-CG2 4.37Å
94H83.9Confident82.1Confident11 Ų1161.6 Ų61.65%0.05130%0.302CS..Hα-helixtrans-64.2-39177.1170.7-109.3000112.6I90 V92 L97 K98 E134I90-H94 WeakPolarHBondContact O-CB 3.15Å; I90-H94 PolarHBondContact O-N 3.34Å; V92-H94 VanDerWaalsContact C-N 3.29Å; V92-H94 PolarHBondContact O-N 3.15Å; H94-L97 PolarHBondContact O-N 3.36Å; H94-K98 WeakPolarHBondContact CE1-CE 3.04Å; H94-K98 PolarHBondContact CE1-NZ 3.41Å; H94-K98 WeakPolarHBondContact NE2-CE 3.48Å; H94-K98 PolarHBondContact O-N 3.08Å; H94-E134 IonicContact CD2-OE2 3.44Å; H94-E134 PolarHBondContact CD2-OE2 3.42Å; H94-E134 VanDerWaalsContact CD2-OE2 3.29Å; H94-E134 IonicContact CE1-OE1 2.79Å; H94-E134 PolarHBondContact CE1-OE1 2.98Å; H94-E134 IonicContact CE1-OE2 3.87Å; H94-E134 PolarHBondContact CE1-OE2 3.47Å; H94-E134 IonicContact CG-OE2 2.91Å; H94-E134 IonicContact ND1-OE1 3.32Å; H94-E134 IonicContact ND1-OE2 3.24Å; H94-E134 IonicContact NE2-OE1 3.06Å; H94-E134 PolarHBondContact NE2-OE1 2.93Å; H94-E134 IonicContact NE2-OE2 2.66Å; H94-E134 PolarHBondContact NE2-OE2 3.45Å
95L86.9Confident81.9Confident99 Ų9962.1 Ų62.152%0.51830%0.304SS..Hα-helixtrans-63.9-41.7174.4-17662.5000111.6R91 V92 A93 L97 K98R91-L95 PolarHBondContact O-N 3.36Å; R91-L95 VanDerWaalsContact O-N 3.09Å; V92-L95 WeakPolarHBondContact O-CB 3.38Å; V92-L95 PolarHBondContact O-N 3.45Å; V92-L95 VanDerWaalsContact O-N 3.08Å; A93-L95 PolarHBondContact O-N 3.35Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.02Å; L95-K98 WeakPolarHBondContact O-CB 3.14Å; L95-K98 PolarHBondContact O-N 2.85Å; L95-K98 VanDerWaalsContact O-N 3.15Å
96A85.8Confident81.9Confident19 Ų1964.8 Ų64.816%0.15731%0.312CS..Hα-helixtrans-62.5-37.1176.900000112.2M7 V92 A93 K98 H99M7-A96 HydrophobicContact CE-CB 3.67Å; M7-A96 HydrophobicContact SD-CB 4.33Å; V92-A96 PolarHBondContact O-N 3.11Å; A93-A96 PolarHBondContact O-N 3.12Å; A96-K98 PolarHBondContact O-N 3.49Å; A96-H99 PolarHBondContact O-N 2.98Å
97L84.3Confident82.1Confident0 Ų065.7 Ų65.70%032%0.317CS..Hα-helixtrans-70.5-15.2176.6-72.1168.1000114.4M7 A93 H94 L95 R100 M107 I109 V136M7-L97 HydrophobicContact CB-CD1 4.45Å; M7-L97 HydrophobicContact CB-CD2 4.23Å; M7-L97 HydrophobicContact CB-CG 4.29Å; M7-L97 HydrophobicContact CE-CD2 4.35Å; M7-L97 HydrophobicContact CE-CG 4.48Å; A93-L97 WeakPolarHBondContact O-CG 3.24Å; A93-L97 PolarHBondContact O-N 3.33Å; H94-L97 PolarHBondContact O-N 3.36Å; L95-L97 VanDerWaalsContact C-N 3.3Å; L95-L97 PolarHBondContact O-N 3.02Å; L97-R100 WeakPolarHBondContact O-CD 3.35Å; L97-R100 WeakPolarHBondContact O-CG 2.98Å; L97-R100 PolarHBondContact O-NH1 3.37Å; L97-R100 VanDerWaalsContact O-NH1 3.12Å; L97-M107 HydrophobicContact CB-CG 4.2Å; L97-M107 HydrophobicContact CB-SD 3.92Å; L97-M107 HydrophobicContact CD1-CB 4.12Å; L97-M107 HydrophobicContact CD1-CG 4.35Å; L97-M107 HydrophobicContact CD1-SD 4.49Å; L97-M107 HydrophobicContact CD2-CG 4.44Å; L97-I109 HydrophobicContact CD1-CD1 3.93Å; L97-I109 HydrophobicContact CD1-CG1 3.57Å; L97-V136 HydrophobicContact CD1-CG1 4.38Å
98K83.8Confident82.2Confident114 Ų11465.7 Ų65.750%0.49632%0.315SS..Hα-helixtrans-78.2-31.6173.3-75.9-178.5167.2176.30113H94 L95 A96 R100H94-K98 WeakPolarHBondContact CE1-CE 3.04Å; H94-K98 PolarHBondContact CE1-NZ 3.41Å; H94-K98 WeakPolarHBondContact NE2-CE 3.48Å; H94-K98 PolarHBondContact O-N 3.08Å; L95-K98 WeakPolarHBondContact O-CB 3.14Å; L95-K98 PolarHBondContact O-N 2.85Å; L95-K98 VanDerWaalsContact O-N 3.15Å; A96-K98 PolarHBondContact O-N 3.49Å; K98-R100 PolarHBondContact O-N 3.43Å; K98-R100 VanDerWaalsContact O-N 3.08Å
99H79.9Confident82.4Confident156 Ų15663.5 Ų63.572%0.72230%0.302SS*.SBendtrans-85.543.5179.1-71.6-77.2000112.2A96A96-H99 PolarHBondContact O-N 2.98Å
100R77.7Confident82.5Confident57 Ų5763.5 Ų63.522%0.21530%0.302CS..  trans-95.1145.1177.166.2179.3-171.3-111.211.1111L64 L97 K98 G102 K103 H105 M107L64-R100 HydrophobicContact CD1-CB 3.72Å; L97-R100 WeakPolarHBondContact O-CD 3.35Å; L97-R100 WeakPolarHBondContact O-CG 2.98Å; L97-R100 PolarHBondContact O-NH1 3.37Å; L97-R100 VanDerWaalsContact O-NH1 3.12Å; K98-R100 PolarHBondContact O-N 3.43Å; K98-R100 VanDerWaalsContact O-N 3.08Å; R100-G102 WeakPolarHBondContact CD-O 3.08Å; R100-G102 WeakPolarHBondContact CG-O 3.42Å; R100-G102 PolarHBondContact NE-O 2.91Å; R100-K103 PolarHBondContact NH2-O 3.17Å; R100-H105 PolarHBondContact NH2-O 3.31Å; R100-M107 PolarHBondContact NH1-SD 3.42Å
101Q69.8Low82.6Confident206 Ų20663.4 Ų63.496%0.96330%0.301SS*.SBendtrans-72.5-37.4179.6-65.4-163.6-7.100112.4
102G69.3Low82.6Confident23 Ų2357.3 Ų57.324%0.23728%0.278CS..  trans-102.2120.9176.500000113.2R100 N104 H105R100-G102 WeakPolarHBondContact CD-O 3.08Å; R100-G102 WeakPolarHBondContact CG-O 3.42Å; R100-G102 PolarHBondContact NE-O 2.91Å; G102-N104 PolarHBondContact O-N 3.39Å; G102-H105 PolarHBondContact O-ND1 3.36Å
103K73.4Confident82.4Confident182 Ų18255.5 Ų55.579%0.79127%0.267SS*.THydrogen-bonded Turntrans-69.7-19.4176.4-69.5179.4-175.6172.20113.5R100 H105R100-K103 PolarHBondContact NH2-O 3.17Å; K103-H105 VanDerWaalsContact C-N 3.32Å; K103-H105 PolarHBondContact O-N 2.93Å
104N76.5Confident82Confident145 Ų14555.7 Ų55.778%0.77527%0.269SS*.THydrogen-bonded Turntrans-81.3-7.4-175.5-59.9-22.7000114.2G102 K106G102-N104 PolarHBondContact O-N 3.39Å; N104-K106 PolarHBondContact O-N 3.07Å
105H78.6Confident81.7Confident19 Ų1955.4 Ų55.49%0.08827%0.268CS..SBendtrans-68.6131.5175-63.6112000111.4L3 S5 R100 G102 K103L3-H105 CarbonylContact O-C 3.57Å; L3-H105 WeakPolarHBondContact O-CA 3.36Å; S5-H105 WeakPolarHBondContact OG-CB 3.44Å; R100-H105 PolarHBondContact NH2-O 3.31Å; G102-H105 PolarHBondContact O-ND1 3.36Å; K103-H105 VanDerWaalsContact C-N 3.32Å; K103-H105 PolarHBondContact O-N 2.93Å
106K82.3Confident81.3Confident102 Ų10252.3 Ų52.344%0.44325%0.254SS..EExtended strand (participates in β ladder)trans-65135.1163.8-73.9-171.9-176.5174.10109.3V2 L3 E4 S5 N104V2-K106 HydrophobicContact CG1-CD 3.7Å; V2-K106 HydrophobicContact CG1-CG 4.04Å; L3-K106 PolarHBondContact O-N 3.47Å; E4-K106 WeakPolarHBondContact CA-O 3.05Å; E4-K106 HydrophobicContact CG-CB 3.98Å; S5-K106 PolarHBondContact N-O 3.4Å; N104-K106 PolarHBondContact O-N 3.07Å
107M86.2Confident80.9Confident21 Ų2151.9 Ų51.910%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-85.5119.4177.4-72.5-175.2-70.600109.4L97 R100 E134 V136 N137L97-M107 HydrophobicContact CB-CG 4.2Å; L97-M107 HydrophobicContact CB-SD 3.92Å; L97-M107 HydrophobicContact CD1-CB 4.12Å; L97-M107 HydrophobicContact CD1-CG 4.35Å; L97-M107 HydrophobicContact CD1-SD 4.49Å; L97-M107 HydrophobicContact CD2-CG 4.44Å; R100-M107 PolarHBondContact NH1-SD 3.42Å; M107-E134 HydrophobicContact CE-CB 4.49Å; M107-E134 WeakPolarHBondContact CE-O 3Å; M107-V136 HydrophobicContact CB-CB 4.39Å; M107-V136 HydrophobicContact CB-CG1 4.21Å; M107-V136 HydrophobicContact CB-CG2 4.06Å; M107-V136 HydrophobicContact CE-CG2 3.57Å; M107-V136 HydrophobicContact SD-CG2 3.88Å; M107-N137 PolarHBondContact O-N 2.95Å
108R86.8Confident80.5Confident10 Ų1058.5 Ų58.54%0.03828%0.28CS..EExtended strand (participates in β ladder)trans-125.9134.7173.7-174.1170.1-69-89.32.1110.2S5 T6 M7 I110 N137 D139 E192S5-R108 PolarHBondContact O-N 2.64Å; T6-R108 CarbonylContact C-O 3.57Å; T6-R108 WeakPolarHBondContact CA-O 3.22Å; M7-R108 PolarHBondContact N-O 2.7Å; R108-I110 HydrophobicContact CG-CG1 4.34Å; R108-N137 CarbonylContact C-O 3.5Å; R108-N137 WeakPolarHBondContact CA-O 3.46Å; R108-N137 HydrophobicContact CG-CB 4.47Å; R108-N137 PolarHBondContact NH2-ND2 2.93Å; R108-D139 WeakPolarHBondContact CD-OD2 3.39Å; R108-D139 IonicContact CZ-OD2 3.88Å; R108-D139 IonicContact NE-OD2 2.63Å; R108-D139 VanDerWaalsContact NH1-CG 3.34Å; R108-D139 IonicContact NH1-OD1 3.01Å; R108-D139 PolarHBondContact NH1-OD1 3.47Å; R108-D139 IonicContact NH1-OD2 3.64Å; R108-D139 PolarHBondContact NH1-OD2 2.85Å; R108-E192 IonicContact CZ-OE1 2.7Å; R108-E192 IonicContact CZ-OE2 2.96Å; R108-E192 IonicContact NE-OE1 3.48Å; R108-E192 PolarHBondContact NE-OE1 3.07Å; R108-E192 IonicContact NE-OE2 2.9Å; R108-E192 PolarHBondContact NE-OE2 2.83Å; R108-E192 IonicContact NH2-OE1 3.74Å; R108-E192 PolarHBondContact NH2-OE1 3.34Å; R108-E192 IonicContact NH2-OE2 3.71Å; R108-E192 PolarHBondContact NH2-OE2 2.66Å
109I89.6Confident80.1Confident0 Ų054.4 Ų54.40%026%0.264CS..EExtended strand (participates in β ladder)trans-116.4126173.4-59.4174.7000106.9M7 C9 I90 A93 L97 V136 N137 V138 D139M7-I109 HydrophobicContact CB-CG1 4.43Å; M7-I109 CarbonylContact O-C 3.53Å; M7-I109 WeakPolarHBondContact O-CA 3.32Å; C9-I109 VanDerWaalsContact SG-CG2 3.57Å; I90-I109 HydrophobicContact CD1-CG2 4.32Å; A93-I109 HydrophobicContact CB-CD1 3.84Å; A93-I109 HydrophobicContact CB-CG1 4.36Å; A93-I109 HydrophobicContact CB-CG2 4.37Å; L97-I109 HydrophobicContact CD1-CD1 3.93Å; L97-I109 HydrophobicContact CD1-CG1 3.57Å; I109-V136 HydrophobicContact CD1-CG1 3.63Å; I109-V136 HydrophobicContact CG1-CG1 3.85Å; I109-N137 PolarHBondContact N-O 3.37Å; I109-V138 HydrophobicContact CB-CG1 4.36Å; I109-V138 HydrophobicContact CB-CG2 4.31Å; I109-V138 HydrophobicContact CD1-CG2 4.31Å; I109-V138 CarbonylContact O-C 3.58Å; I109-V138 WeakPolarHBondContact O-CA 3.21Å; I109-D139 PolarHBondContact O-N 2.79Å
110I88.9Confident80.3Confident0 Ų052.2 Ų52.20%026%0.257CS..EExtended strand (participates in β ladder)trans-110.4117.4171.5-59173.8000106.6T6 M7 V8 C9 V36 R108 F112 D139 I141 I188T6-I110 HydrophobicContact CG2-CD1 3.51Å; T6-I110 HydrophobicContact CG2-CG1 3.9Å; M7-I110 PolarHBondContact O-N 3.16Å; V8-I110 CarbonylContact C-O 3.58Å; V8-I110 WeakPolarHBondContact CA-O 3.33Å; C9-I110 PolarHBondContact N-O 2.88Å; V36-I110 HydrophobicContact CG1-CD1 3.49Å; V36-I110 VanDerWaalsContact CG1-CD1 3.49Å; R108-I110 HydrophobicContact CG-CG1 4.34Å; I110-F112 HydrophobicContact CG2-CD2 4.35Å; I110-F112 HydrophobicContact CG2-CE2 3.78Å; I110-F112 HydrophobicContact CG2-CZ 4.33Å; I110-D139 CarbonylContact C-O 3.58Å; I110-D139 WeakPolarHBondContact CA-O 3.4Å; I110-D139 HydrophobicContact CG1-CB 4.26Å; I110-I141 HydrophobicContact CG2-CD1 3.53Å; I110-I141 HydrophobicContact CG2-CG1 4.35Å; I110-I188 HydrophobicContact CD1-CG2 3.78Å; I110-I188 HydrophobicContact CG1-CG2 4.49Å
111A87.9Confident80.4Confident0 Ų054.8 Ų54.80%027%0.272CS..EExtended strand (participates in β ladder)trans-113.5117-177.500000110.6C9 F86 D139 I141C9-A111 HydrophobicContact CB-CB 4.24Å; F86-A111 HydrophobicContact CE2-CB 4.12Å; A111-D139 PolarHBondContact N-O 2.96Å; A111-I141 PolarHBondContact O-N 3.46Å
112F86.5Confident81.1Confident0 Ų053 Ų530%026%0.261CS..EExtended strand (participates in β ladder)trans-85.7120.1170.7-68.4-98.8000108.4V8 C9 D11 Q29 A32 V33 I110 I141 F143 L183V8-F112 HydrophobicContact CG1-CD2 4.04Å; V8-F112 HydrophobicContact CG1-CE2 3.77Å; C9-F112 WeakPolarHBondContact O-CB 3.45Å; C9-F112 WeakPolarHBondContact O-CD2 3.17Å; C9-F112 PolarHBondContact O-N 2.85Å; D11-F112 VanDerWaalsContact CB-O 3.27Å; D11-F112 WeakPolarHBondContact CB-O 3.48Å; Q29-F112 HydrophobicContact CG-CD1 4.21Å; Q29-F112 HydrophobicContact CG-CG 4.44Å; A32-F112 HydrophobicContact CB-CE1 3.8Å; A32-F112 HydrophobicContact CB-CZ 4.19Å; V33-F112 HydrophobicContact CG2-CD2 4.33Å; V33-F112 HydrophobicContact CG2-CE2 3.86Å; V33-F112 HydrophobicContact CG2-CZ 4.15Å; I110-F112 HydrophobicContact CG2-CD2 4.35Å; I110-F112 HydrophobicContact CG2-CE2 3.78Å; I110-F112 HydrophobicContact CG2-CZ 4.33Å; F112-I141 HydrophobicContact CD1-CD1 4.12Å; F112-I141 HydrophobicContact CD2-CD1 4.46Å; F112-I141 HydrophobicContact CE1-CD1 3.58Å; F112-I141 HydrophobicContact CE2-CD1 4.01Å; F112-I141 HydrophobicContact CG-CD1 4.49Å; F112-I141 HydrophobicContact CZ-CD1 3.53Å; F112-F143 HydrophobicContact CD1-CD2 4.31Å; F112-F143 AromaticContact CD1-CE2 3.38Å; F112-F143 HydrophobicContact CD1-CE2 3.38Å; F112-F143 HydrophobicContact CD1-CZ 4Å; F112-F143 AromaticContact CE1-CE2 3.93Å; F112-F143 HydrophobicContact CE1-CE2 3.93Å; F112-F143 HydrophobicContact CE1-CZ 4.11Å; F112-F143 HydrophobicContact CG-CE2 4.37Å; F112-L183 HydrophobicContact CE1-CD1 4.26Å
113V85.3Confident81.8Confident2 Ų254.7 Ų54.71%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-120.3115.3179.9-176.80000108.5I84 F86 I140 I141 F143 N149I84-V113 HydrophobicContact CD1-CG1 4.06Å; F86-V113 HydrophobicContact CD2-CG2 4.32Å; F86-V113 HydrophobicContact CE2-CG2 4.26Å; V113-I140 HydrophobicContact CG2-CG2 4.07Å; V113-I141 PolarHBondContact N-O 3.45Å; V113-F143 PolarHBondContact O-N 3.06Å; V113-N149 VanDerWaalsContact CG1-ND2 3.33Å; V113-N149 WeakPolarHBondContact CG1-ND2 3.35Å
114G77.9Confident82.3Confident3 Ų346.2 Ų46.23%0.03123%0.228CC..  trans-117.13.2-17800000114.7D11 R25D11-G114 PolarHBondContact OD2-N 3.39Å; R25-G114 PolarHBondContact NH1-O 3.25Å; R25-G114 VanDerWaalsContact NH1-O 3.1Å; R25-G114 PolarHBondContact NH2-O 3.19Å
115S78.4Confident82.7Confident5 Ų541.5 Ų41.54%0.03520%0.204CC..SBendtrans-138.3153.8-174.350.20000111.6D11 S13 I84 V117D11-S115 PolarHBondContact OD2-OG 3.15Å; S13-S115 WeakPolarHBondContact CB-OG 3.34Å; S13-S115 WeakPolarHBondContact OG-CB 3.08Å; S13-S115 PolarHBondContact OG-OG 2.78Å; I84-S115 VanDerWaalsContact CB-OG 3.32Å; I84-S115 WeakPolarHBondContact CB-OG 3.44Å; I84-S115 WeakPolarHBondContact CG2-OG 3.47Å; S115-V117 PolarHBondContact O-N 2.84Å
116P79.5Confident83.2Confident35 Ų3546.9 Ų46.923%0.22723%0.227CC..  trans-65.4131.1-179.624.8-33.6000111Y15Y15-P116 HydrophobicContact CE2-CG 4.4Å
117V76.9Confident83.3Confident9 Ų943 Ų436%0.05521%0.211CC..  trans-89117.1-179.777.30000110.9F86 S115 D119 N149 K152F86-V117 HydrophobicContact CB-CG2 3.77Å; S115-V117 PolarHBondContact O-N 2.84Å; V117-D119 HydrophobicContact CG2-CB 3.78Å; V117-D119 WeakPolarHBondContact CG2-OD2 3.43Å; V117-D119 PolarHBondContact O-N 3.41Å; V117-N149 WeakPolarHBondContact CG1-OD1 3.38Å; V117-K152 HydrophobicContact CG1-CD 4.02Å; V117-K152 PolarHBondContact O-NZ 3.11Å
118E76.4Confident83.2Confident140 Ų14042 Ų4265%0.65421%0.206SC*.  trans-82.44.6174.8-75.7-176.8-16600113.3K83K83-E118 WeakPolarHBondContact CE-OE1 3.01Å; K83-E118 WeakPolarHBondContact CE-OE2 3.23Å; K83-E118 IonicContact NZ-OE1 3.64Å; K83-E118 PolarHBondContact NZ-OE1 3.47Å; K83-E118 IonicContact NZ-OE2 3.05Å; K83-E118 PolarHBondContact NZ-OE2 3.48Å
119D75.5Confident83.2Confident27 Ų2748.2 Ų48.214%0.14423%0.233CC..  trans-65.3147.8-179.3-74.1-63.7000112.5F86 C87 V117 K152F86-D119 WeakPolarHBondContact CB-OD2 3.36Å; F86-D119 PolarHBondContact N-OD2 2.8Å; F86-D119 VanDerWaalsContact N-OD2 3.08Å; C87-D119 PolarHBondContact N-OD2 2.78Å; C87-D119 PolarHBondContact SG-OD1 3.05Å; C87-D119 VanDerWaalsContact SG-OD1 3.36Å; V117-D119 HydrophobicContact CG2-CB 3.78Å; V117-D119 WeakPolarHBondContact CG2-OD2 3.43Å; V117-D119 PolarHBondContact O-N 3.41Å; D119-K152 PolarHBondContact O-NZ 2.89Å
120N82.4Confident83Confident110 Ų11054 Ų5459%0.58826%0.255SS*.  trans-76.3132.4176.1-70.5-50.8000111.1K122 D123 L124N120-K122 PolarHBondContact O-N 3.27Å; N120-K122 VanDerWaalsContact O-N 3.15Å; N120-D123 PolarHBondContact O-N 2.98Å; N120-L124 PolarHBondContact O-N 2.85Å
121E79.8Confident82.8Confident112 Ų11254.2 Ų54.252%0.52326%0.256SS..Hα-helixtrans-55.6-34.7175.8-66.2173.4-171.200113.1D123 L124 V125 K152E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 2.9Å; E121-L124 PolarHBondContact O-N 3.36Å; E121-V125 VanDerWaalsContact O-CG2 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 2.83Å; E121-K152 HydrophobicContact CG-CG 4.16Å
122K84.4Confident82.6Confident169 Ų16958.6 Ų58.674%0.73528%0.276SS*.Hα-helixtrans-61.9-35.3179.2-67-177.8-178.9174.50112.6N120 K126N120-K122 PolarHBondContact O-N 3.27Å; N120-K122 VanDerWaalsContact O-N 3.15Å; K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.33Å
123D85.3Confident82.5Confident58 Ų5867.5 Ų67.531%0.3131%0.314SS..Hα-helixtrans-82.5-35.2-178.8-64.8-36.4000110.9N120 E121 V125 K126 L127N120-D123 PolarHBondContact O-N 2.98Å; E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 2.9Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.7Å; D123-K126 PolarHBondContact O-N 2.73Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.01Å; D123-L127 WeakPolarHBondContact O-CG 3.35Å; D123-L127 PolarHBondContact O-N 3.26Å
124L83.4Confident82.3Confident3 Ų369.8 Ų69.82%0.01633%0.325CS..Hα-helixtrans-56.4-45.4168.2-70.5171.9000111.7F86 N120 E121 K126 L127 A128 K152 F156F86-L124 HydrophobicContact CD1-CD2 3.63Å; F86-L124 HydrophobicContact CE1-CD2 3.8Å; N120-L124 PolarHBondContact O-N 2.85Å; E121-L124 PolarHBondContact O-N 3.36Å; L124-K126 PolarHBondContact O-N 2.84Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-A128 WeakPolarHBondContact O-CB 3.46Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-K152 HydrophobicContact CD1-CB 4.35Å; L124-F156 HydrophobicContact CB-CD2 3.95Å; L124-F156 HydrophobicContact CD2-CD2 4.18Å; L124-F156 HydrophobicContact CD2-CE2 4.47Å; L124-F156 WeakPolarHBondContact O-CD2 3.38Å; L124-F156 WeakPolarHBondContact O-CE2 3.44Å
125V85.7Confident82.5Confident47 Ų4778.1 Ų78.129%0.28536%0.36SS..Hα-helixtrans-65.5-36.5178174.10000112.2E121 D123 K129 T159E121-V125 VanDerWaalsContact O-CG2 3.31Å; E121-V125 WeakPolarHBondContact O-CG2 3.42Å; E121-V125 PolarHBondContact O-N 2.83Å; D123-V125 VanDerWaalsContact C-N 3.33Å; D123-V125 PolarHBondContact O-N 2.7Å; V125-K129 WeakPolarHBondContact O-CG 3.45Å; V125-K129 PolarHBondContact O-N 2.63Å; V125-K129 VanDerWaalsContact O-N 3.11Å; V125-T159 HydrophobicContact CG2-CG2 4.49Å
126K87.6Confident82.8Confident132 Ų13278.1 Ų78.157%0.57436%0.36SS*.Hα-helixtrans-65.5-41.8174-69.9170.7-162.4157.60111.2K122 D123 L124 K129 R130K122-K126 WeakPolarHBondContact O-CG 3.45Å; K122-K126 PolarHBondContact O-N 3.33Å; D123-K126 PolarHBondContact O-N 2.73Å; D123-K126 IonicContact OD1-NZ 2.81Å; D123-K126 PolarHBondContact OD1-NZ 3.01Å; L124-K126 PolarHBondContact O-N 2.84Å; K126-K129 PolarHBondContact O-N 2.86Å; K126-R130 PolarHBondContact O-N 3.37Å; K126-R130 VanDerWaalsContact O-N 3.16Å
127L84.3Confident83.1Confident20 Ų2078 Ų7811%0.10536%0.357CS..Hα-helixtrans-64.1-44.9176.5-70.5174.4000111.2C87 R91 D123 L124 K129 R130 L131 F156C87-L127 HydrophobicContact CB-CD1 4.09Å; R91-L127 HydrophobicContact CG-CD2 3.81Å; D123-L127 WeakPolarHBondContact O-CG 3.35Å; D123-L127 PolarHBondContact O-N 3.26Å; L124-L127 PolarHBondContact O-N 2.87Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.79Å; L127-R130 WeakPolarHBondContact O-CA 3.42Å; L127-R130 WeakPolarHBondContact O-CB 3.33Å; L127-R130 PolarHBondContact O-N 3.32Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.89Å; L127-F156 HydrophobicContact CB-CE2 4.32Å
128A84.3Confident83.6Confident0 Ų077.6 Ų77.60%036%0.355CS..Hα-helixtrans-58-44.4176.600000112.2L124 R130 L131 K132 F156 T159 L160L124-A128 WeakPolarHBondContact O-CB 3.46Å; L124-A128 PolarHBondContact O-N 3.47Å; A128-R130 VanDerWaalsContact C-N 3.27Å; A128-R130 PolarHBondContact O-N 3.38Å; A128-L131 PolarHBondContact O-N 3.05Å; A128-K132 WeakPolarHBondContact O-CB 3.46Å; A128-K132 PolarHBondContact O-N 2.96Å; A128-F156 HydrophobicContact CB-CD2 3.85Å; A128-F156 HydrophobicContact CB-CE2 3.78Å; A128-T159 WeakPolarHBondContact CB-OG1 3.33Å; A128-L160 HydrophobicContact CB-CG 4.13Å
129K87.1Confident84.1Confident140 Ų14070.9 Ų70.961%0.60932%0.324SS*.Hα-helixtrans-62-34.2175.1-73.3177.6-177.1179.20112.8V125 K126 L127 K133V125-K129 WeakPolarHBondContact O-CG 3.45Å; V125-K129 PolarHBondContact O-N 2.63Å; V125-K129 VanDerWaalsContact O-N 3.11Å; K126-K129 PolarHBondContact O-N 2.86Å; L127-K129 VanDerWaalsContact C-N 3.34Å; L127-K129 PolarHBondContact O-N 2.79Å; K129-K133 PolarHBondContact O-N 2.92Å
130R85.1Confident84.6Confident122 Ų12269.6 Ų69.646%0.4632%0.317SS..Hα-helixtrans-71.6-48177.5-174.3178.8174.7167.21.3111.1K126 L127 A128 K132 K133 E134K126-R130 PolarHBondContact O-N 3.37Å; K126-R130 VanDerWaalsContact O-N 3.16Å; L127-R130 WeakPolarHBondContact O-CA 3.42Å; L127-R130 WeakPolarHBondContact O-CB 3.33Å; L127-R130 PolarHBondContact O-N 3.32Å; A128-R130 VanDerWaalsContact C-N 3.27Å; A128-R130 PolarHBondContact O-N 3.38Å; R130-K132 PolarHBondContact O-N 3.32Å; R130-K133 WeakPolarHBondContact O-CB 3.4Å; R130-K133 PolarHBondContact O-N 3.38Å; R130-E134 IonicContact NE-OE1 3.49Å; R130-E134 PolarHBondContact O-N 3.41Å
131L84.8Confident84.7Confident4 Ų464.4 Ų64.42%0.02129%0.289CS..Hα-helixtrans-58.9-35.3176.5-70.5166000112.3I90 L127 A128 K133 E134 K135 V136 V138 F156 L160I90-L131 HydrophobicContact CG2-CD1 3.91Å; I90-L131 HydrophobicContact CG2-CD2 4.26Å; I90-L131 HydrophobicContact CG2-CG 4.48Å; L127-L131 WeakPolarHBondContact O-CG 3.36Å; L127-L131 PolarHBondContact O-N 2.89Å; A128-L131 PolarHBondContact O-N 3.05Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 2.93Å; L131-E134 CarbonylContact O-C 3.58Å; L131-E134 PolarHBondContact O-N 3.26Å; L131-K135 PolarHBondContact O-N 2.9Å; L131-V136 HydrophobicContact CD2-CB 3.85Å; L131-V136 HydrophobicContact CD2-CG1 4.03Å; L131-V136 HydrophobicContact CD2-CG2 4.09Å; L131-V136 PolarHBondContact O-N 3.31Å; L131-V138 HydrophobicContact CD1-CG2 4.05Å; L131-F156 HydrophobicContact CD1-CE2 4.32Å; L131-F156 HydrophobicContact CD1-CZ 3.69Å; L131-L160 HydrophobicContact CB-CD2 3.74Å; L131-L160 HydrophobicContact CD1-CD1 4.25Å; L131-L160 HydrophobicContact CD1-CD2 4.34Å
132K83.5Confident84.8Confident93 Ų9359.1 Ų59.140%0.40426%0.264SS..Hα-helixtrans-63.9-34.9174.8-169.3169.1-171.4165.90113.6A128 R130 E134A128-K132 WeakPolarHBondContact O-CB 3.46Å; A128-K132 PolarHBondContact O-N 2.96Å; R130-K132 PolarHBondContact O-N 3.32Å; K132-E134 VanDerWaalsContact C-N 3.32Å
133K84.8Confident84.5Confident186 Ų18651.4 Ų51.481%0.80923%0.231SC*.Hα-helixtrans-69.9-35.2174.3-67.5-179.9179.6-174.80111.6K129 R130 L131 K135K129-K133 PolarHBondContact O-N 2.92Å; R130-K133 WeakPolarHBondContact O-CB 3.4Å; R130-K133 PolarHBondContact O-N 3.38Å; L131-K133 VanDerWaalsContact C-N 3.34Å; L131-K133 PolarHBondContact O-N 2.93Å; K133-K135 VanDerWaalsContact C-N 3.31Å
134E81.8Confident83.6Confident51 Ų5150 Ų5024%0.23823%0.23CC..Hα-helixtrans-84.7-7.3-177.7-70.3162.1165.800111.9H94 M107 R130 L131 K132 V136H94-E134 IonicContact CD2-OE2 3.44Å; H94-E134 PolarHBondContact CD2-OE2 3.42Å; H94-E134 VanDerWaalsContact CD2-OE2 3.29Å; H94-E134 IonicContact CE1-OE1 2.79Å; H94-E134 PolarHBondContact CE1-OE1 2.98Å; H94-E134 IonicContact CE1-OE2 3.87Å; H94-E134 PolarHBondContact CE1-OE2 3.47Å; H94-E134 IonicContact CG-OE2 2.91Å; H94-E134 IonicContact ND1-OE1 3.32Å; H94-E134 IonicContact ND1-OE2 3.24Å; H94-E134 IonicContact NE2-OE1 3.06Å; H94-E134 PolarHBondContact NE2-OE1 2.93Å; H94-E134 IonicContact NE2-OE2 2.66Å; H94-E134 PolarHBondContact NE2-OE2 3.45Å; M107-E134 HydrophobicContact CE-CB 4.49Å; M107-E134 WeakPolarHBondContact CE-O 3Å; R130-E134 IonicContact NE-OE1 3.49Å; R130-E134 PolarHBondContact O-N 3.41Å; L131-E134 CarbonylContact O-C 3.58Å; L131-E134 PolarHBondContact O-N 3.26Å; K132-E134 VanDerWaalsContact C-N 3.32Å; E134-V136 HydrophobicContact CB-CG2 4Å
135K82Confident82.7Confident178 Ų17853.5 Ų53.577%0.77425%0.246SC*.THydrogen-bonded Turntrans53.952.2-176.7-63.4-176.6177.9-178.30112.1L131 K133L131-K135 PolarHBondContact O-N 2.9Å; K133-K135 VanDerWaalsContact C-N 3.31Å
136V84.9Confident81.6Confident5 Ų554.3 Ų54.33%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-98.1128.7175.8-178.60000109.6L97 M107 I109 L131 E134 V138L97-V136 HydrophobicContact CD1-CG1 4.38Å; M107-V136 HydrophobicContact CB-CB 4.39Å; M107-V136 HydrophobicContact CB-CG1 4.21Å; M107-V136 HydrophobicContact CB-CG2 4.06Å; M107-V136 HydrophobicContact CE-CG2 3.57Å; M107-V136 HydrophobicContact SD-CG2 3.88Å; I109-V136 HydrophobicContact CD1-CG1 3.63Å; I109-V136 HydrophobicContact CG1-CG1 3.85Å; L131-V136 HydrophobicContact CD2-CB 3.85Å; L131-V136 HydrophobicContact CD2-CG1 4.03Å; L131-V136 HydrophobicContact CD2-CG2 4.09Å; L131-V136 PolarHBondContact O-N 3.31Å; E134-V136 HydrophobicContact CB-CG2 4Å; V136-V138 HydrophobicContact CG1-CG2 4.1Å
137N85.8Confident80.5Confident32 Ų3256.3 Ų56.317%0.17126%0.258CS..EExtended strand (participates in β ladder)trans-84.6133.9170.7-70-10.7000109.2M107 R108 I109 G167M107-N137 PolarHBondContact O-N 2.95Å; R108-N137 CarbonylContact C-O 3.5Å; R108-N137 WeakPolarHBondContact CA-O 3.46Å; R108-N137 HydrophobicContact CG-CB 4.47Å; R108-N137 PolarHBondContact NH2-ND2 2.93Å; I109-N137 PolarHBondContact N-O 3.37Å; N137-G167 VanDerWaalsContact CA-O 3.28Å; N137-G167 WeakPolarHBondContact CA-O 3.39Å; N137-G167 WeakPolarHBondContact CB-O 3.38Å; N137-G167 VanDerWaalsContact CG-O 3.27Å; N137-G167 WeakPolarHBondContact OD1-CA 3.45Å; N137-G167 PolarHBondContact OD1-O 2.83Å
138V85.9Confident79.8Confident0 Ų059.4 Ų59.40%028%0.278CS..EExtended strand (participates in β ladder)trans-130.2121.6-178.8-173.90000110.1I109 L131 V136 I140 F156 L160 S168I109-V138 HydrophobicContact CB-CG1 4.36Å; I109-V138 HydrophobicContact CB-CG2 4.31Å; I109-V138 HydrophobicContact CD1-CG2 4.31Å; I109-V138 CarbonylContact O-C 3.58Å; I109-V138 WeakPolarHBondContact O-CA 3.21Å; L131-V138 HydrophobicContact CD1-CG2 4.05Å; V136-V138 HydrophobicContact CG1-CG2 4.1Å; V138-I140 HydrophobicContact CG1-CG1 4.16Å; V138-F156 HydrophobicContact CG1-CE1 4.35Å; V138-L160 HydrophobicContact CB-CD1 4.12Å; V138-L160 HydrophobicContact CG2-CD1 4.16Å; V138-S168 PolarHBondContact N-OG 2.88Å; V138-S168 WeakPolarHBondContact O-CA 3.34Å; V138-S168 WeakPolarHBondContact O-CB 3.27Å; V138-S168 PolarHBondContact O-OG 3.21Å
139D86.9Confident79.2Confident0 Ų059.6 Ų59.60%028%0.279CS..EExtended strand (participates in β ladder)trans-111.5122.1179.8-59.4-29000108.1R108 I109 I110 A111 H169R108-D139 WeakPolarHBondContact CD-OD2 3.39Å; R108-D139 IonicContact CZ-OD2 3.88Å; R108-D139 IonicContact NE-OD2 2.63Å; R108-D139 VanDerWaalsContact NH1-CG 3.34Å; R108-D139 IonicContact NH1-OD1 3.01Å; R108-D139 PolarHBondContact NH1-OD1 3.47Å; R108-D139 IonicContact NH1-OD2 3.64Å; R108-D139 PolarHBondContact NH1-OD2 2.85Å; I109-D139 PolarHBondContact O-N 2.79Å; I110-D139 CarbonylContact C-O 3.58Å; I110-D139 WeakPolarHBondContact CA-O 3.4Å; I110-D139 HydrophobicContact CG1-CB 4.26Å; A111-D139 PolarHBondContact N-O 2.96Å; D139-H169 WeakPolarHBondContact CA-O 3.3Å; D139-H169 WeakPolarHBondContact CB-NE2 3.31Å; D139-H169 IonicContact OD1-CD2 3.89Å; D139-H169 IonicContact OD1-CE1 2.64Å; D139-H169 PolarHBondContact OD1-CE1 3.26Å; D139-H169 IonicContact OD1-CG 3.07Å; D139-H169 PolarHBondContact OD1-N 2.96Å; D139-H169 IonicContact OD1-ND1 3.56Å; D139-H169 PolarHBondContact OD1-ND1 2.85Å; D139-H169 IonicContact OD1-NE2 2.63Å; D139-H169 PolarHBondContact OD1-NE2 3.23Å; D139-H169 IonicContact OD2-CE1 3.48Å; D139-H169 PolarHBondContact OD2-CE1 2.9Å; D139-H169 IonicContact OD2-ND1 3.29Å; D139-H169 IonicContact OD2-NE2 3.2Å; D139-H169 PolarHBondContact OD2-NE2 3.03Å
140I85.9Confident78.6Confident0 Ų054.4 Ų54.40%026%0.259CS..EExtended strand (participates in β ladder)trans-111126.5-178-62.9157.7000107.4F86 V113 V138 N142 L153 F156 V157 H169 L170 V171F86-I140 HydrophobicContact CZ-CD1 4.23Å; F86-I140 HydrophobicContact CZ-CG1 4.41Å; V113-I140 HydrophobicContact CG2-CG2 4.07Å; V138-I140 HydrophobicContact CG1-CG1 4.16Å; I140-N142 WeakPolarHBondContact CG2-OD1 3.49Å; I140-L153 HydrophobicContact CD1-CD2 4.08Å; I140-L153 HydrophobicContact CG2-CD1 3.96Å; I140-L153 HydrophobicContact CG2-CD2 4.41Å; I140-F156 HydrophobicContact CD1-CD1 3.73Å; I140-F156 HydrophobicContact CD1-CE1 4Å; I140-V157 HydrophobicContact CD1-CG2 3.91Å; I140-H169 PolarHBondContact N-O 3.42Å; I140-L170 HydrophobicContact CB-CD1 3.9Å; I140-L170 HydrophobicContact CG2-CD1 3.83Å; I140-V171 PolarHBondContact O-N 3.46Å
141I84.8Confident78.4Confident0 Ų055.8 Ų55.80%027%0.27CS..EExtended strand (participates in β ladder)trans-114109.4177.4-46.3162.1000107.8I110 A111 F112 V113 F143 V171 V173 L183 I188I110-I141 HydrophobicContact CG2-CD1 3.53Å; I110-I141 HydrophobicContact CG2-CG1 4.35Å; A111-I141 PolarHBondContact O-N 3.46Å; F112-I141 HydrophobicContact CD1-CD1 4.12Å; F112-I141 HydrophobicContact CD2-CD1 4.46Å; F112-I141 HydrophobicContact CE1-CD1 3.58Å; F112-I141 HydrophobicContact CE2-CD1 4.01Å; F112-I141 HydrophobicContact CG-CD1 4.49Å; F112-I141 HydrophobicContact CZ-CD1 3.53Å; V113-I141 PolarHBondContact N-O 3.45Å; I141-F143 HydrophobicContact CB-CE2 3.7Å; I141-F143 HydrophobicContact CB-CZ 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.12Å; I141-F143 HydrophobicContact CG2-CE1 4.03Å; I141-F143 HydrophobicContact CG2-CE2 3.18Å; I141-F143 HydrophobicContact CG2-CZ 3.17Å; I141-V171 CarbonylContact C-O 3.53Å; I141-V171 WeakPolarHBondContact CA-O 3.47Å; I141-V171 HydrophobicContact CG2-CB 4.25Å; I141-V171 HydrophobicContact CG2-CG1 4.03Å; I141-V173 HydrophobicContact CG2-CG2 4Å; I141-L183 HydrophobicContact CD1-CD2 3.68Å; I141-L183 HydrophobicContact CG1-CD2 4.3Å; I141-L183 HydrophobicContact CG2-CD2 3.8Å; I141-I188 HydrophobicContact CD1-CD1 3.61Å; I141-I188 HydrophobicContact CG1-CD1 3.92Å
142N83.2Confident78.3Confident1 Ų157.8 Ų57.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-90.8129.8179.1-77.2-10.1000110.4I140 L153 V171 T172 V173I140-N142 WeakPolarHBondContact CG2-OD1 3.49Å; N142-L153 WeakPolarHBondContact ND2-CD1 3.38Å; N142-L153 WeakPolarHBondContact OD1-CD1 3.43Å; N142-V171 PolarHBondContact N-O 3.14Å; N142-T172 HydrophobicContact CB-CG2 4.43Å; N142-V173 PolarHBondContact O-N 2.73Å
143F76.8Confident78.1Confident7 Ų753.4 Ų53.43%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-122.3143.4174-63-79.2000110.8F21 R25 F112 V113 I141 E145 V173 L179 L183F21-F143 HydrophobicContact CE2-CB 4.42Å; F21-F143 HydrophobicContact CE2-CD1 4.43Å; F21-F143 HydrophobicContact CZ-CD1 4Å; R25-F143 PolarHBondContact NH2-O 3.33Å; F112-F143 HydrophobicContact CD1-CD2 4.31Å; F112-F143 AromaticContact CD1-CE2 3.38Å; F112-F143 HydrophobicContact CD1-CE2 3.38Å; F112-F143 HydrophobicContact CD1-CZ 4Å; F112-F143 AromaticContact CE1-CE2 3.93Å; F112-F143 HydrophobicContact CE1-CE2 3.93Å; F112-F143 HydrophobicContact CE1-CZ 4.11Å; F112-F143 HydrophobicContact CG-CE2 4.37Å; V113-F143 PolarHBondContact O-N 3.06Å; I141-F143 HydrophobicContact CB-CE2 3.7Å; I141-F143 HydrophobicContact CB-CZ 4.14Å; I141-F143 HydrophobicContact CG2-CD2 4.12Å; I141-F143 HydrophobicContact CG2-CE1 4.03Å; I141-F143 HydrophobicContact CG2-CE2 3.18Å; I141-F143 HydrophobicContact CG2-CZ 3.17Å; F143-E145 VanDerWaalsContact C-N 3.32Å; F143-E145 PolarHBondContact O-N 3.01Å; F143-V173 HydrophobicContact CD1-CB 3.57Å; F143-V173 HydrophobicContact CD1-CG1 3.89Å; F143-V173 HydrophobicContact CD1-CG2 3.98Å; F143-V173 HydrophobicContact CE1-CB 3.51Å; F143-V173 HydrophobicContact CE1-CG1 3.78Å; F143-V173 HydrophobicContact CE1-CG2 3.39Å; F143-V173 HydrophobicContact CZ-CG2 4Å; F143-L179 HydrophobicContact CD1-CD1 3.72Å; F143-L179 HydrophobicContact CD1-CD2 4.13Å; F143-L179 HydrophobicContact CD1-CG 3.69Å; F143-L179 HydrophobicContact CE1-CD1 3.62Å; F143-L179 HydrophobicContact CE1-CD2 3.17Å; F143-L179 HydrophobicContact CE1-CG 3.18Å; F143-L179 HydrophobicContact CG-CD1 4.44Å; F143-L179 HydrophobicContact CZ-CD1 4.2Å; F143-L179 HydrophobicContact CZ-CD2 3.37Å; F143-L179 HydrophobicContact CZ-CG 3.9Å; F143-L183 HydrophobicContact CZ-CD1 4.47Å; F143-L183 HydrophobicContact CZ-CD2 4.25Å
144G67.4Low78.1Confident28 Ų2847.2 Ų47.229%0.28924%0.238SC..SBendtrans83.7-59.216500000114.3
145E64.1Low78.1Confident77 Ų7746.9 Ų46.936%0.3624%0.244SC..  trans-120.598.9-175.2-165177.1-179.200111.4F143 V148F143-E145 VanDerWaalsContact C-N 3.32Å; F143-E145 PolarHBondContact O-N 3.01Å; E145-V148 VanDerWaalsContact OE1-CG2 3.24Å; E145-V148 WeakPolarHBondContact OE1-CG2 3.44Å
146E63.7Low78.2Confident64 Ų6438.5 Ų38.530%0.29921%0.207SC..  trans-82.7-35.8-179.9-73.7-179158.900112.3V148 T150 T172E146-V148 PolarHBondContact O-N 3.1Å; E146-T150 HydrophobicContact CB-CG2 4Å; E146-T150 HydrophobicContact CG-CG2 4.41Å; E146-T150 WeakPolarHBondContact O-CB 3.48Å; E146-T150 WeakPolarHBondContact O-CG2 3.48Å; E146-T150 PolarHBondContact O-N 3.02Å; E146-T150 VanDerWaalsContact O-N 3.07Å; E146-T150 PolarHBondContact O-OG1 3.1Å; E146-T172 WeakPolarHBondContact OE1-CB 3.31Å; E146-T172 PolarHBondContact OE1-OG1 3.17Å; E146-T172 VanDerWaalsContact OE1-OG1 3.07Å
147E64.5Low78.1Confident174 Ų17438.7 Ų38.781%0.81321%0.208SC*.THydrogen-bonded Turntrans-67.8-44.1-164.5-127.9179.3177.100114.1
148V68.3Low78Confident85 Ų8542 Ų4252%0.51523%0.226SC..THydrogen-bonded Turntrans-87.5-22.1-174.7-163.90000112.4E145 E146E145-V148 VanDerWaalsContact OE1-CG2 3.24Å; E145-V148 WeakPolarHBondContact OE1-CG2 3.44Å; E146-V148 PolarHBondContact O-N 3.1Å
149N71.9Confident77.9Confident5 Ų544.6 Ų44.63%0.02724%0.242CC..THydrogen-bonded Turntrans-101.4-31.3-169.2-161.625.1000112.9V113 V117 E151 L153V113-N149 VanDerWaalsContact CG1-ND2 3.33Å; V113-N149 WeakPolarHBondContact CG1-ND2 3.35Å; V117-N149 WeakPolarHBondContact CG1-OD1 3.38Å; N149-E151 PolarHBondContact O-N 2.95Å; N149-L153 HydrophobicContact CB-CD1 4.39Å; N149-L153 VanDerWaalsContact CG-CD1 3.42Å; N149-L153 VanDerWaalsContact ND2-CD1 3.32Å; N149-L153 WeakPolarHBondContact ND2-CD1 3.27Å; N149-L153 WeakPolarHBondContact O-CD1 3.32Å; N149-L153 VanDerWaalsContact O-CG 3.29Å; N149-L153 WeakPolarHBondContact O-CG 3.05Å; N149-L153 PolarHBondContact O-N 3.19Å; N149-L153 WeakPolarHBondContact OD1-CD1 3.41Å
150T75.5Confident77.6Confident31 Ų3145.3 Ų45.319%0.1925%0.246CC..Hα-helixtrans-64.1-37-174.451.50000113.1E146 K152 L153 T154 T172E146-T150 HydrophobicContact CB-CG2 4Å; E146-T150 HydrophobicContact CG-CG2 4.41Å; E146-T150 WeakPolarHBondContact O-CB 3.48Å; E146-T150 WeakPolarHBondContact O-CG2 3.48Å; E146-T150 PolarHBondContact O-N 3.02Å; E146-T150 VanDerWaalsContact O-N 3.07Å; E146-T150 PolarHBondContact O-OG1 3.1Å; T150-K152 PolarHBondContact O-N 3.15Å; T150-L153 PolarHBondContact O-N 3.04Å; T150-T154 WeakPolarHBondContact O-CB 2.87Å; T150-T154 PolarHBondContact O-N 2.8Å; T150-T154 PolarHBondContact O-OG1 2.8Å; T150-T172 HydrophobicContact CG2-CG2 3.82Å
151E80.6Confident77.1Confident150 Ų15047.2 Ų47.270%0.70126%0.256SS*.Hα-helixtrans-61.8-48.2-178.8-65.5-172.5165.100112.4N149 L153 T154 A155N149-E151 PolarHBondContact O-N 2.95Å; E151-L153 PolarHBondContact O-N 2.82Å; E151-T154 PolarHBondContact O-N 2.82Å; E151-A155 PolarHBondContact O-N 3.24Å
152K81.8Confident76.5Confident47 Ų4749.5 Ų49.520%0.20428%0.28CS..Hα-helixtrans-65.1-42179.8-61.6-176.5-174.7-178.50112V117 D119 E121 L124 T150 A155 F156V117-K152 HydrophobicContact CG1-CD 4.02Å; V117-K152 PolarHBondContact O-NZ 3.11Å; D119-K152 PolarHBondContact O-NZ 2.89Å; E121-K152 HydrophobicContact CG-CG 4.16Å; L124-K152 HydrophobicContact CD1-CB 4.35Å; T150-K152 PolarHBondContact O-N 3.15Å; K152-A155 PolarHBondContact O-N 2.92Å; K152-F156 PolarHBondContact O-N 2.94Å
153L80.4Confident75.2Confident1 Ų158.2 Ų58.21%0.00532%0.318CS..Hα-helixtrans-74.2-33.8-178.5-62.8171.3000111.6I140 N142 N149 T150 E151 F156 V157 L170I140-L153 HydrophobicContact CD1-CD2 4.08Å; I140-L153 HydrophobicContact CG2-CD1 3.96Å; I140-L153 HydrophobicContact CG2-CD2 4.41Å; N142-L153 WeakPolarHBondContact ND2-CD1 3.38Å; N142-L153 WeakPolarHBondContact OD1-CD1 3.43Å; N149-L153 HydrophobicContact CB-CD1 4.39Å; N149-L153 VanDerWaalsContact CG-CD1 3.42Å; N149-L153 VanDerWaalsContact ND2-CD1 3.32Å; N149-L153 WeakPolarHBondContact ND2-CD1 3.27Å; N149-L153 WeakPolarHBondContact O-CD1 3.32Å; N149-L153 VanDerWaalsContact O-CG 3.29Å; N149-L153 WeakPolarHBondContact O-CG 3.05Å; N149-L153 PolarHBondContact O-N 3.19Å; N149-L153 WeakPolarHBondContact OD1-CD1 3.41Å; T150-L153 PolarHBondContact O-N 3.04Å; E151-L153 PolarHBondContact O-N 2.82Å; L153-F156 WeakPolarHBondContact O-CB 3.5Å; L153-F156 PolarHBondContact O-N 2.91Å; L153-V157 WeakPolarHBondContact O-CB 3.38Å; L153-V157 WeakPolarHBondContact O-CG2 3.48Å; L153-V157 PolarHBondContact O-N 2.9Å; L153-L170 HydrophobicContact CB-CD1 4.17Å
154T83.2Confident74.2Confident55 Ų5563.4 Ų63.434%0.33735%0.346SS..Hα-helixtrans-64.5-44.5172.9-60.50000110.6T150 E151 F156 V157 N158 L170T150-T154 WeakPolarHBondContact O-CB 2.87Å; T150-T154 PolarHBondContact O-N 2.8Å; T150-T154 PolarHBondContact O-OG1 2.8Å; E151-T154 PolarHBondContact O-N 2.82Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 2.86Å; T154-V157 PolarHBondContact O-N 3.18Å; T154-N158 VanDerWaalsContact O-CB 3.29Å; T154-N158 WeakPolarHBondContact O-CB 3.48Å; T154-N158 PolarHBondContact O-N 3.33Å; T154-N158 PolarHBondContact O-ND2 3.1Å; T154-L170 WeakPolarHBondContact OG1-CD2 3.36Å
155A83Confident73.6Confident44 Ų4465.4 Ų65.436%0.36437%0.366SS..Hα-helixtrans-59.4-42.3173.400000111.8E151 K152 T159E151-A155 PolarHBondContact O-N 3.24Å; K152-A155 PolarHBondContact O-N 2.92Å; A155-T159 WeakPolarHBondContact O-CG2 3.39Å; A155-T159 PolarHBondContact O-N 3.22Å; A155-T159 VanDerWaalsContact O-N 3.09Å; A155-T159 PolarHBondContact O-OG1 3.27Å
156F83.7Confident73.4Confident2 Ų267.8 Ų67.81%0.00939%0.386CS..Hα-helixtrans-61.9-50.7176.1178.8-102.9000112.4F86 L124 L127 A128 L131 V138 I140 K152 L153 T154 N158 T159 L160F86-F156 HydrophobicContact CE1-CE1 4.43Å; F86-F156 HydrophobicContact CE1-CZ 4.47Å; F86-F156 HydrophobicContact CZ-CE1 4.49Å; L124-F156 HydrophobicContact CB-CD2 3.95Å; L124-F156 HydrophobicContact CD2-CD2 4.18Å; L124-F156 HydrophobicContact CD2-CE2 4.47Å; L124-F156 WeakPolarHBondContact O-CD2 3.38Å; L124-F156 WeakPolarHBondContact O-CE2 3.44Å; L127-F156 HydrophobicContact CB-CE2 4.32Å; A128-F156 HydrophobicContact CB-CD2 3.85Å; A128-F156 HydrophobicContact CB-CE2 3.78Å; L131-F156 HydrophobicContact CD1-CE2 4.32Å; L131-F156 HydrophobicContact CD1-CZ 3.69Å; V138-F156 HydrophobicContact CG1-CE1 4.35Å; I140-F156 HydrophobicContact CD1-CD1 3.73Å; I140-F156 HydrophobicContact CD1-CE1 4Å; K152-F156 PolarHBondContact O-N 2.94Å; L153-F156 WeakPolarHBondContact O-CB 3.5Å; L153-F156 PolarHBondContact O-N 2.91Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 2.86Å; F156-N158 PolarHBondContact O-N 3.42Å; F156-T159 PolarHBondContact O-N 2.91Å; F156-T159 PolarHBondContact O-OG1 3.19Å; F156-L160 HydrophobicContact CD1-CD1 3.8Å; F156-L160 HydrophobicContact CE1-CD1 3.24Å; F156-L160 HydrophobicContact CE2-CD1 4.23Å; F156-L160 HydrophobicContact CG-CD1 4.49Å; F156-L160 HydrophobicContact CZ-CD1 3.5Å; F156-L160 PolarHBondContact O-N 3.3Å
157V83.1Confident73.3Confident9 Ų965.4 Ų65.46%0.05538%0.379CS..Hα-helixtrans-63.2-40.5179.4170.70000111.6I140 L153 T154 T159 L160 N161 L170I140-V157 HydrophobicContact CD1-CG2 3.91Å; L153-V157 WeakPolarHBondContact O-CB 3.38Å; L153-V157 WeakPolarHBondContact O-CG2 3.48Å; L153-V157 PolarHBondContact O-N 2.9Å; T154-V157 PolarHBondContact O-N 3.18Å; V157-T159 VanDerWaalsContact C-N 3.32Å; V157-T159 PolarHBondContact O-N 3.37Å; V157-L160 WeakPolarHBondContact O-CB 3.39Å; V157-L160 PolarHBondContact O-N 3.06Å; V157-L160 VanDerWaalsContact O-N 3.15Å; V157-N161 VanDerWaalsContact CG1-ND2 3.29Å; V157-N161 WeakPolarHBondContact CG1-ND2 3.41Å; V157-N161 WeakPolarHBondContact O-CB 3.34Å; V157-N161 PolarHBondContact O-N 3.1Å; V157-L170 HydrophobicContact CG2-CB 4.32Å
158N84.3Confident73.7Confident103 Ų10357.6 Ų57.655%0.55134%0.343SS*.Hα-helixtrans-61.2-39.9175.3-72.8-22.9000112.1T154 F156 L160 G162T154-N158 VanDerWaalsContact O-CB 3.29Å; T154-N158 WeakPolarHBondContact O-CB 3.48Å; T154-N158 PolarHBondContact O-N 3.33Å; T154-N158 PolarHBondContact O-ND2 3.1Å; F156-N158 PolarHBondContact O-N 3.42Å; N158-L160 VanDerWaalsContact C-N 3.35Å; N158-G162 PolarHBondContact O-N 3.3Å
159T82.1Confident74.3Confident53 Ų5354.8 Ų54.833%0.32533%0.325SS..Hα-helixtrans-70.3-30.5175.858.90000113.6V125 A128 A155 F156 V157V125-T159 HydrophobicContact CG2-CG2 4.49Å; A128-T159 WeakPolarHBondContact CB-OG1 3.33Å; A155-T159 WeakPolarHBondContact O-CG2 3.39Å; A155-T159 PolarHBondContact O-N 3.22Å; A155-T159 VanDerWaalsContact O-N 3.09Å; A155-T159 PolarHBondContact O-OG1 3.27Å; F156-T159 PolarHBondContact O-N 2.91Å; F156-T159 PolarHBondContact O-OG1 3.19Å; V157-T159 VanDerWaalsContact C-N 3.32Å; V157-T159 PolarHBondContact O-N 3.37Å
160L81.7Confident74.8Confident15 Ų1556.8 Ų56.88%0.07934%0.335CS..Hα-helixtrans-70.9-51.1174.6-98.6162.5000111.8A128 L131 V138 F156 V157 N158 G162A128-L160 HydrophobicContact CB-CG 4.13Å; L131-L160 HydrophobicContact CB-CD2 3.74Å; L131-L160 HydrophobicContact CD1-CD1 4.25Å; L131-L160 HydrophobicContact CD1-CD2 4.34Å; V138-L160 HydrophobicContact CB-CD1 4.12Å; V138-L160 HydrophobicContact CG2-CD1 4.16Å; F156-L160 HydrophobicContact CD1-CD1 3.8Å; F156-L160 HydrophobicContact CE1-CD1 3.24Å; F156-L160 HydrophobicContact CE2-CD1 4.23Å; F156-L160 HydrophobicContact CG-CD1 4.49Å; F156-L160 HydrophobicContact CZ-CD1 3.5Å; F156-L160 PolarHBondContact O-N 3.3Å; V157-L160 WeakPolarHBondContact O-CB 3.39Å; V157-L160 PolarHBondContact O-N 3.06Å; V157-L160 VanDerWaalsContact O-N 3.15Å; N158-L160 VanDerWaalsContact C-N 3.35Å; L160-G162 PolarHBondContact O-N 3.25Å
161N75Confident75.1Confident40 Ų4055.6 Ų55.621%0.21433%0.328CS..Hα-helixtrans-63.2-40.2-173.8-77.7-22.1000113.1V157 K163 D164 S168V157-N161 VanDerWaalsContact CG1-ND2 3.29Å; V157-N161 WeakPolarHBondContact CG1-ND2 3.41Å; V157-N161 WeakPolarHBondContact O-CB 3.34Å; V157-N161 PolarHBondContact O-N 3.1Å; N161-K163 PolarHBondContact O-N 2.98Å; N161-D164 PolarHBondContact O-N 3.4Å; N161-S168 PolarHBondContact ND2-O 2.93Å; N161-S168 WeakPolarHBondContact OD1-CA 3.49Å; N161-S168 WeakPolarHBondContact OD1-CB 3.47Å; N161-S168 PolarHBondContact OD1-N 3.4Å; N161-S168 PolarHBondContact OD1-O 3.08Å
162G72Confident75Confident49 Ų4951.2 Ų51.251%0.50531%0.311SS..THydrogen-bonded Turntrans47.8-128.2173.800000114.4N158 L160N158-G162 PolarHBondContact O-N 3.3Å; L160-G162 PolarHBondContact O-N 3.25Å
163K56.8Low74.7Confident184 Ų18449.1 Ų49.180%0.830%0.302SS*.THydrogen-bonded Turntrans-96.1-7.4-176.358172.6179.9171.50114.3N161N161-K163 PolarHBondContact O-N 2.98Å
164D54.5Low74.3Confident116 Ų11652.8 Ų52.862%0.6233%0.326SS*.SBendtrans-112.681.8-176.6-64.1-63.9000106.9N161 T166N161-D164 PolarHBondContact O-N 3.4Å; D164-T166 VanDerWaalsContact C-N 3.26Å; D164-T166 PolarHBondContact O-N 2.72Å
165G54.8Low73.5Confident69 Ų6954.5 Ų54.571%0.71134%0.338SS*.SBendtrans-74.352.6-163.300000116.5
166T61.6Low72.5Confident127 Ų12753.6 Ų53.678%0.77933%0.333SS*.SBendtrans-150.630.8170.773.50000113.6D164D164-T166 VanDerWaalsContact C-N 3.26Å; D164-T166 PolarHBondContact O-N 2.72Å
167G60.7Low71.5Confident14 Ų1457.9 Ų57.914%0.14436%0.361CS..SBendtrans-93.3-45.6-170.400000115.2N137N137-G167 VanDerWaalsContact CA-O 3.28Å; N137-G167 WeakPolarHBondContact CA-O 3.39Å; N137-G167 WeakPolarHBondContact CB-O 3.38Å; N137-G167 VanDerWaalsContact CG-O 3.27Å; N137-G167 WeakPolarHBondContact OD1-CA 3.45Å; N137-G167 PolarHBondContact OD1-O 2.83Å
168S73.7Confident70.6Confident11 Ų1160.9 Ų60.98%0.07738%0.383CS..  trans-142.4130.8-166.9-79.30000111.1V138 N161V138-S168 PolarHBondContact N-OG 2.88Å; V138-S168 WeakPolarHBondContact O-CA 3.34Å; V138-S168 WeakPolarHBondContact O-CB 3.27Å; V138-S168 PolarHBondContact O-OG 3.21Å; N161-S168 PolarHBondContact ND2-O 2.93Å; N161-S168 WeakPolarHBondContact OD1-CA 3.49Å; N161-S168 WeakPolarHBondContact OD1-CB 3.47Å; N161-S168 PolarHBondContact OD1-N 3.4Å; N161-S168 PolarHBondContact OD1-O 3.08Å
169H80.3Confident69.7Low26 Ų2656.2 Ų56.212%0.1236%0.358CS..  trans-113.1140.9169.851.9-98.5000111.4D139 I140 P187 I188D139-H169 WeakPolarHBondContact CA-O 3.3Å; D139-H169 WeakPolarHBondContact CB-NE2 3.31Å; D139-H169 IonicContact OD1-CD2 3.89Å; D139-H169 IonicContact OD1-CE1 2.64Å; D139-H169 PolarHBondContact OD1-CE1 3.26Å; D139-H169 IonicContact OD1-CG 3.07Å; D139-H169 PolarHBondContact OD1-N 2.96Å; D139-H169 IonicContact OD1-ND1 3.56Å; D139-H169 PolarHBondContact OD1-ND1 2.85Å; D139-H169 IonicContact OD1-NE2 2.63Å; D139-H169 PolarHBondContact OD1-NE2 3.23Å; D139-H169 IonicContact OD2-CE1 3.48Å; D139-H169 PolarHBondContact OD2-CE1 2.9Å; D139-H169 IonicContact OD2-ND1 3.29Å; D139-H169 IonicContact OD2-NE2 3.2Å; D139-H169 PolarHBondContact OD2-NE2 3.03Å; I140-H169 PolarHBondContact N-O 3.42Å; H169-P187 HydrophobicContact CB-CG 4.03Å; H169-I188 VanDerWaalsContact CE1-CA 3.47Å; H169-I188 WeakPolarHBondContact CE1-CA 3.48Å; H169-I188 WeakPolarHBondContact NE2-CA 3.2Å; H169-I188 WeakPolarHBondContact NE2-CG1 3.16Å; H169-I188 PolarHBondContact NE2-N 3.27Å
170L81.8Confident68.8Low46 Ų4655.3 Ų55.324%0.24136%0.355CS..EExtended strand (participates in β ladder)trans-99.2116.1164.8179.465.1000107I140 L153 T154 V157 T172I140-L170 HydrophobicContact CB-CD1 3.9Å; I140-L170 HydrophobicContact CG2-CD1 3.83Å; L153-L170 HydrophobicContact CB-CD1 4.17Å; T154-L170 WeakPolarHBondContact OG1-CD2 3.36Å; V157-L170 HydrophobicContact CG2-CB 4.32Å; L170-T172 HydrophobicContact CD2-CG2 4.16Å; L170-T172 HydrophobicContact CG-CG2 4.01Å
171V82.2Confident68Low7 Ų759.4 Ų59.44%0.04238%0.377CS..EExtended strand (participates in β ladder)trans-105.1117172.8169.50000106.8I140 I141 N142 V173 S186 P187 I188I140-V171 PolarHBondContact O-N 3.46Å; I141-V171 CarbonylContact C-O 3.53Å; I141-V171 WeakPolarHBondContact CA-O 3.47Å; I141-V171 HydrophobicContact CG2-CB 4.25Å; I141-V171 HydrophobicContact CG2-CG1 4.03Å; N142-V171 PolarHBondContact N-O 3.14Å; V171-V173 HydrophobicContact CG1-CG2 3.93Å; V171-S186 WeakPolarHBondContact CG1-OG 3.49Å; V171-S186 WeakPolarHBondContact CG2-OG 3.27Å; V171-P187 HydrophobicContact CG2-CG 4.2Å; V171-I188 HydrophobicContact CG2-CG1 4.39Å
172T78.6Confident67.5Low58 Ų5858.6 Ų58.636%0.35638%0.376SS..EExtended strand (participates in β ladder)trans-100.9122.4173.369.10000107.4N142 E146 T150 L170N142-T172 HydrophobicContact CB-CG2 4.43Å; E146-T172 WeakPolarHBondContact OE1-CB 3.31Å; E146-T172 PolarHBondContact OE1-OG1 3.17Å; E146-T172 VanDerWaalsContact OE1-OG1 3.07Å; T150-T172 HydrophobicContact CG2-CG2 3.82Å; L170-T172 HydrophobicContact CD2-CG2 4.16Å; L170-T172 HydrophobicContact CG-CG2 4.01Å
173V76.2Confident67.4Low2 Ų256.4 Ų56.41%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-101.4113.4179.7179.60000107.8F21 I141 N142 F143 V171 A182F21-V173 HydrophobicContact CE1-CG1 4.44Å; F21-V173 HydrophobicContact CZ-CG1 4.5Å; I141-V173 HydrophobicContact CG2-CG2 4Å; N142-V173 PolarHBondContact O-N 2.73Å; F143-V173 HydrophobicContact CD1-CB 3.57Å; F143-V173 HydrophobicContact CD1-CG1 3.89Å; F143-V173 HydrophobicContact CD1-CG2 3.98Å; F143-V173 HydrophobicContact CE1-CB 3.51Å; F143-V173 HydrophobicContact CE1-CG1 3.78Å; F143-V173 HydrophobicContact CE1-CG2 3.39Å; F143-V173 HydrophobicContact CZ-CG2 4Å; V171-V173 HydrophobicContact CG1-CG2 3.93Å; V173-A182 HydrophobicContact CG1-CB 3.85Å; V173-A182 HydrophobicContact CG2-CB 4.07Å
174P71.2Confident67.7Low79 Ų7951.9 Ų51.951%0.51334%0.337SS..  trans-61.7149177.823.7-31.2000110.1G176P174-G176 PolarHBondContact O-N 3.43Å
175P65.9Low67.9Low90 Ų9051 Ų5158%0.58434%0.339SS*.SBendtrans-64.3109.7176.727-33.2000109.1
176G62.5Low68.3Low25 Ų2548.3 Ų48.326%0.25831%0.31SS..SBendtrans-167.6164.5-177.700000110.8F21 P174 S178F21-G176 WeakPolarHBondContact CD1-O 3.35Å; F21-G176 WeakPolarHBondContact CE1-O 3.25Å; P174-G176 PolarHBondContact O-N 3.43Å; G176-S178 PolarHBondContact O-N 2.92Å; G176-S178 VanDerWaalsContact O-N 3.1Å
177P63.8Low68.1Low93 Ų9345 Ų4560%0.60429%0.29SS*.SBendtrans-67.3-12.9-171.524-32.1000115L22L22-P177 HydrophobicContact CD1-CB 4.28Å
178S62.8Low68.1Low71 Ų7144.5 Ų44.550%0.49728%0.284SS..  trans-112.370.1-170.3-580000113.2G176 A182G176-S178 PolarHBondContact O-N 2.92Å; G176-S178 VanDerWaalsContact O-N 3.1Å; S178-A182 PolarHBondContact O-N 2.91Å
179L65.6Low67.4Low6 Ų646.1 Ų46.13%0.03129%0.292CS..Hα-helixtrans-61.8-46.6173.8-159.3166.9000111.5F21 A28 A32 F143 D181 A182 L183F21-L179 HydrophobicContact CD1-CB 3.67Å; F21-L179 HydrophobicContact CD1-CD1 4.02Å; F21-L179 HydrophobicContact CD1-CG 4.15Å; F21-L179 HydrophobicContact CD2-CD1 4.22Å; F21-L179 HydrophobicContact CE1-CB 3.78Å; F21-L179 HydrophobicContact CE1-CD1 4.08Å; F21-L179 HydrophobicContact CE1-CG 3.97Å; F21-L179 HydrophobicContact CE2-CD1 4.29Å; F21-L179 HydrophobicContact CG-CB 4.44Å; F21-L179 HydrophobicContact CG-CD1 4.09Å; F21-L179 HydrophobicContact CZ-CD1 4.22Å; F21-L179 HydrophobicContact CZ-CG 4.39Å; A28-L179 HydrophobicContact CB-CB 4.2Å; A28-L179 HydrophobicContact CB-CD1 3.68Å; A32-L179 HydrophobicContact CB-CD2 3.87Å; F143-L179 HydrophobicContact CD1-CD1 3.72Å; F143-L179 HydrophobicContact CD1-CD2 4.13Å; F143-L179 HydrophobicContact CD1-CG 3.69Å; F143-L179 HydrophobicContact CE1-CD1 3.62Å; F143-L179 HydrophobicContact CE1-CD2 3.17Å; F143-L179 HydrophobicContact CE1-CG 3.18Å; F143-L179 HydrophobicContact CG-CD1 4.44Å; F143-L179 HydrophobicContact CZ-CD1 4.2Å; F143-L179 HydrophobicContact CZ-CD2 3.37Å; F143-L179 HydrophobicContact CZ-CG 3.9Å; L179-D181 VanDerWaalsContact C-N 3.31Å; L179-D181 PolarHBondContact O-N 3.49Å; L179-A182 PolarHBondContact O-N 3.18Å; L179-L183 HydrophobicContact CD2-CD1 3.4Å; L179-L183 HydrophobicContact CD2-CG 4.04Å; L179-L183 WeakPolarHBondContact O-CG 3.03Å; L179-L183 PolarHBondContact O-N 3.45Å
180A63.3Low66Low33 Ų3347.5 Ų47.527%0.27331%0.308SS..Hα-helixtrans-63.5-35.7-17700000112.7I35 L183 I184I35-A180 HydrophobicContact CD1-CB 3.75Å; A180-L183 WeakPolarHBondContact O-CB 3.13Å; A180-L183 PolarHBondContact O-N 2.93Å; A180-I184 WeakPolarHBondContact O-CD1 3Å; A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.96Å
181D64.5Low64.2Low101 Ų10147.8 Ų47.854%0.5432%0.322SS..Hα-helixtrans-75.2-39.9-176.6-155.520.6000111.8L179 L183 I184 S185L179-D181 VanDerWaalsContact C-N 3.31Å; L179-D181 PolarHBondContact O-N 3.49Å; D181-L183 PolarHBondContact O-N 3.01Å; D181-I184 PolarHBondContact O-N 3.06Å; D181-I184 VanDerWaalsContact O-N 3.1Å; D181-S185 PolarHBondContact O-N 3.34Å; D181-S185 PolarHBondContact O-OG 3.02Å
182A65.8Low62.6Low23 Ų2349.2 Ų49.219%0.1933%0.328CS..Hα-helixtrans-62.5-28.2173.300000112.8V173 S178 L179 S185 S186V173-A182 HydrophobicContact CG1-CB 3.85Å; V173-A182 HydrophobicContact CG2-CB 4.07Å; S178-A182 PolarHBondContact O-N 2.91Å; L179-A182 PolarHBondContact O-N 3.18Å; A182-S185 WeakPolarHBondContact CA-OG 3.4Å; A182-S185 PolarHBondContact O-OG 2.91Å; A182-S185 VanDerWaalsContact O-OG 3.11Å; A182-S186 WeakPolarHBondContact O-CB 3.49Å; A182-S186 PolarHBondContact O-N 3.06Å; A182-S186 PolarHBondContact O-OG 3.2Å
183L68.3Low60.6Low3 Ų348.6 Ų48.62%0.01633%0.333CS..Hα-helixtrans-76.6-38.7173.1-69.9172.3000112.4A32 F112 I141 F143 L179 A180 D181 S185 S186 I188 L189A32-L183 HydrophobicContact CB-CD1 3.17Å; F112-L183 HydrophobicContact CE1-CD1 4.26Å; I141-L183 HydrophobicContact CD1-CD2 3.68Å; I141-L183 HydrophobicContact CG1-CD2 4.3Å; I141-L183 HydrophobicContact CG2-CD2 3.8Å; F143-L183 HydrophobicContact CZ-CD1 4.47Å; F143-L183 HydrophobicContact CZ-CD2 4.25Å; L179-L183 HydrophobicContact CD2-CD1 3.4Å; L179-L183 HydrophobicContact CD2-CG 4.04Å; L179-L183 WeakPolarHBondContact O-CG 3.03Å; L179-L183 PolarHBondContact O-N 3.45Å; A180-L183 WeakPolarHBondContact O-CB 3.13Å; A180-L183 PolarHBondContact O-N 2.93Å; D181-L183 PolarHBondContact O-N 3.01Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-S186 WeakPolarHBondContact O-CB 3.45Å; L183-S186 PolarHBondContact O-N 3.18Å; L183-I188 HydrophobicContact CD2-CD1 3.47Å; L183-I188 VanDerWaalsContact CD2-CD1 3.47Å; L183-L189 WeakPolarHBondContact O-CD1 3.13Å
184I64.1Low58.8Low90 Ų9052.5 Ų52.546%0.46237%0.374SS..Hα-helixtrans-63.7-42.3176.1-66.4160.1000110.5I35 A180 D181 S186 L189I35-I184 HydrophobicContact CD1-CD1 4.47Å; I35-I184 HydrophobicContact CG2-CG1 4.28Å; A180-I184 WeakPolarHBondContact O-CD1 3Å; A180-I184 WeakPolarHBondContact O-CG1 3.3Å; A180-I184 PolarHBondContact O-N 2.96Å; D181-I184 PolarHBondContact O-N 3.06Å; D181-I184 VanDerWaalsContact O-N 3.1Å; I184-S186 PolarHBondContact O-N 3.22Å; I184-L189 HydrophobicContact CB-CD1 4.44Å
185S57.7Low57.1Low96 Ų9650.7 Ų50.767%0.67137%0.366SS*.THydrogen-bonded Turntrans-75-9.9176.166.80000113.8D181 A182 L183D181-S185 PolarHBondContact O-N 3.34Å; D181-S185 PolarHBondContact O-OG 3.02Å; A182-S185 WeakPolarHBondContact CA-OG 3.4Å; A182-S185 PolarHBondContact O-OG 2.91Å; A182-S185 VanDerWaalsContact O-OG 3.11Å; L183-S185 VanDerWaalsContact C-N 3.34Å
186S64.2Low55.8Low13 Ų1355.3 Ų55.39%0.09138%0.382CS..SBendtrans-86.8155.1-172.6-86.90000114V171 A182 L183 I184 I188 L189V171-S186 WeakPolarHBondContact CG1-OG 3.49Å; V171-S186 WeakPolarHBondContact CG2-OG 3.27Å; A182-S186 WeakPolarHBondContact O-CB 3.49Å; A182-S186 PolarHBondContact O-N 3.06Å; A182-S186 PolarHBondContact O-OG 3.2Å; L183-S186 WeakPolarHBondContact O-CB 3.45Å; L183-S186 PolarHBondContact O-N 3.18Å; I184-S186 PolarHBondContact O-N 3.22Å; S186-I188 PolarHBondContact O-N 3.29Å; S186-L189 PolarHBondContact O-N 3.25Å; S186-L189 VanDerWaalsContact O-N 3.16Å
187P57.3Low55.1Low58 Ų5861.6 Ų61.638%0.37741%0.408SS..Hα-helixtrans-62.7-0.6-179.819.4-28.2000115.6H169 V171 L189 G191H169-P187 HydrophobicContact CB-CG 4.03Å; V171-P187 HydrophobicContact CG2-CG 4.2Å; P187-L189 PolarHBondContact O-N 3.24Å; P187-G191 VanDerWaalsContact O-CA 3.22Å; P187-G191 WeakPolarHBondContact O-CA 3.42Å; P187-G191 PolarHBondContact O-N 3.02Å
188I61.3Low53.8Low3 Ų360.3 Ų60.32%0.01541%0.412CS..Hα-helixtrans-61.8-34.9170.5-45.8152.3000110.7I110 I141 H169 V171 L183 S186I110-I188 HydrophobicContact CD1-CG2 3.78Å; I110-I188 HydrophobicContact CG1-CG2 4.49Å; I141-I188 HydrophobicContact CD1-CD1 3.61Å; I141-I188 HydrophobicContact CG1-CD1 3.92Å; H169-I188 VanDerWaalsContact CE1-CA 3.47Å; H169-I188 WeakPolarHBondContact CE1-CA 3.48Å; H169-I188 WeakPolarHBondContact NE2-CA 3.2Å; H169-I188 WeakPolarHBondContact NE2-CG1 3.16Å; H169-I188 PolarHBondContact NE2-N 3.27Å; V171-I188 HydrophobicContact CG2-CG1 4.39Å; L183-I188 HydrophobicContact CD2-CD1 3.47Å; L183-I188 VanDerWaalsContact CD2-CD1 3.47Å; S186-I188 PolarHBondContact O-N 3.29Å
189L59.3Low52.6Low46 Ų4665.7 Ų65.724%0.24143%0.434CS..Hα-helixtrans-99.1-38.1178.8-67.2160.4000111.7S39 L183 I184 S186 P187S39-L189 WeakPolarHBondContact OG-CD2 3.41Å; L183-L189 WeakPolarHBondContact O-CD1 3.13Å; I184-L189 HydrophobicContact CB-CD1 4.44Å; S186-L189 PolarHBondContact O-N 3.25Å; S186-L189 VanDerWaalsContact O-N 3.16Å; P187-L189 PolarHBondContact O-N 3.24Å
190A50.1Low51.2Low55 Ų5566.5 Ų66.546%0.45544%0.444SS..Hα-helixtrans-80.4-19.5-178.300000114.3A195A190-A195 HydrophobicContact CB-CB 3.9Å
191G43.8Very low49.9Very low51 Ų5170 Ų7053%0.52647%0.473SS..THydrogen-bonded Turntrans-88.73.1-168.700000116.6P187P187-G191 VanDerWaalsContact O-CA 3.22Å; P187-G191 WeakPolarHBondContact O-CA 3.42Å; P187-G191 PolarHBondContact O-N 3.02Å
192E49.1Very low48.6Very low37 Ų3770.9 Ų70.917%0.17349%0.487CS..THydrogen-bonded Turntrans-142.6-23.3-172.1-166.6158.2-135.200116.9E4 K40 R108E4-E192 WeakPolarHBondContact OE1-CG 3.41Å; K40-E192 IonicContact NZ-OE2 2.73Å; K40-E192 PolarHBondContact NZ-OE2 3.06Å; R108-E192 IonicContact CZ-OE1 2.7Å; R108-E192 IonicContact CZ-OE2 2.96Å; R108-E192 IonicContact NE-OE1 3.48Å; R108-E192 PolarHBondContact NE-OE1 3.07Å; R108-E192 IonicContact NE-OE2 2.9Å; R108-E192 PolarHBondContact NE-OE2 2.83Å; R108-E192 IonicContact NH2-OE1 3.74Å; R108-E192 PolarHBondContact NH2-OE1 3.34Å; R108-E192 IonicContact NH2-OE2 3.71Å; R108-E192 PolarHBondContact NH2-OE2 2.66Å
193G36.6Very low47.5Very low46 Ų4676.8 Ų76.847%0.47452%0.516SS..THydrogen-bonded Turntrans-125.1128.9162.800000105.7A195G193-A195 VanDerWaalsContact C-N 3.31Å; G193-A195 PolarHBondContact O-N 3.37Å
194G36.8Very low46.4Very low84 Ų8482 Ų8287%0.86654%0.538SS*.THydrogen-bonded Turntrans-41.198.2179.200000110.8M196G194-M196 PolarHBondContact O-N 3.39Å
195A35.8Very low45.8Very low41 Ų4186.7 Ų86.734%0.33956%0.558SS.*  trans-76.186.3169.500000104.7A190 G193 L197A190-A195 HydrophobicContact CB-CB 3.9Å; G193-A195 VanDerWaalsContact C-N 3.31Å; G193-A195 PolarHBondContact O-N 3.37Å; A195-L197 HydrophobicContact CB-CB 4.12Å; A195-L197 PolarHBondContact O-N 3.22Å
196M40.2Very low45.7Very low187 Ų18789.2 Ų89.292%0.92156%0.557SS**THydrogen-bonded Turntrans-61.248.9149.8-163.5-17573.200109.6G194G194-M196 PolarHBondContact O-N 3.39Å
197L45.8Very low45.4Very low156 Ų15692 Ų9282%0.81759%0.588SS**THydrogen-bonded Turntrans-140.711.1-175.2-87162.9000110.6A195A195-L197 HydrophobicContact CB-CB 4.12Å; A195-L197 PolarHBondContact O-N 3.22Å
198G37.3Very low45.3Very low66 Ų6690.6 Ų90.668%0.6858%0.578SS**SBendtrans-114.95.2-177.900000116.1
199L37Very low45.4Very low184 Ų18494.5 Ų94.596%0.96360%0.6SS**SBendtrans-135.240.4178.2-81.9170.9000112.1
200G36.8Very low45.6Very low23 Ų2395.4 Ų95.424%0.23761%0.608CS.*  trans-161-1.4-177.600000117.9S202 D203 F204G200-S202 PolarHBondContact O-N 2.71Å; G200-S202 VanDerWaalsContact O-N 3.1Å; G200-D203 PolarHBondContact O-N 3.35Å; G200-F204 WeakPolarHBondContact O-CD2 3.41Å
201A37.3Very low46.3Very low106 Ų10697.4 Ų97.488%0.87662%0.619SS**THydrogen-bonded Turntrans-75.95.7-177.200000114.6
202S36.1Very low47.6Very low121 Ų12198.5 Ų98.585%0.84662%0.623SS**THydrogen-bonded Turntrans-128.411.117663.70000114.1G200G200-S202 PolarHBondContact O-N 2.71Å; G200-S202 VanDerWaalsContact O-N 3.1Å
203D42.4Very low48.6Very low146 Ų146100.7 Ų100.778%0.78164%0.636SS**THydrogen-bonded Turntrans-128.70.3176.3-150.344.7000113G200 E205G200-D203 PolarHBondContact O-N 3.35Å; D203-E205 PolarHBondContact O-N 3.23Å
204F46.2Very low50.5Low113 Ų113102.7 Ų102.750%0.49664%0.64SS.*  trans-91.871.1167.4-83-68.8000110.8G200 F206 G207 V208 P210G200-F204 WeakPolarHBondContact O-CD2 3.41Å; F204-F206 PolarHBondContact O-N 3.3Å; F204-G207 PolarHBondContact O-N 3.22Å; F204-V208 VanDerWaalsContact CD1-O 3.26Å; F204-V208 WeakPolarHBondContact CD1-O 3.45Å; F204-V208 VanDerWaalsContact CE1-O 3.32Å; F204-V208 WeakPolarHBondContact CE1-O 3.37Å; F204-P210 HydrophobicContact CE1-CG 3.32Å; F204-P210 HydrophobicContact CZ-CG 3.54Å
205E51.4Low52.3Low188 Ų188106.3 Ų106.388%0.87964%0.635SS**THydrogen-bonded Turntrans-62-9.4-177.7-167.8167.7170.900114.1D203D203-E205 PolarHBondContact O-N 3.23Å
206F54.7Low54.1Low149 Ų149107.8 Ų107.865%0.65464%0.637SS**THydrogen-bonded Turntrans-126.36.1179.3-154.4-107.8000115.7F204 V208 L220F204-F206 PolarHBondContact O-N 3.3Å; F206-V208 HydrophobicContact CD1-CG2 3.62Å; F206-V208 HydrophobicContact CE1-CG2 4.26Å; F206-V208 PolarHBondContact O-N 3.47Å; F206-V208 VanDerWaalsContact O-N 3.12Å; F206-L220 HydrophobicContact CB-CD1 4.38Å; F206-L220 HydrophobicContact CD1-CD1 3.68Å; F206-L220 HydrophobicContact CD1-CD2 4.41Å; F206-L220 HydrophobicContact CE1-CD1 4.35Å; F206-L220 HydrophobicContact CG-CD1 4.25Å
207G59Low55.8Low71 Ų71100.4 Ų100.473%0.73261%0.605SS**  trans62.618.817700000115.5F204F204-G207 PolarHBondContact O-N 3.22Å
208V55.2Low57.2Low29 Ų2998.6 Ų98.618%0.17660%0.595CS.*  trans-102.1119.7178173.50000109.1F204 F206 P210 L216 L220F204-V208 VanDerWaalsContact CD1-O 3.26Å; F204-V208 WeakPolarHBondContact CD1-O 3.45Å; F204-V208 VanDerWaalsContact CE1-O 3.32Å; F204-V208 WeakPolarHBondContact CE1-O 3.37Å; F206-V208 HydrophobicContact CD1-CG2 3.62Å; F206-V208 HydrophobicContact CE1-CG2 4.26Å; F206-V208 PolarHBondContact O-N 3.47Å; F206-V208 VanDerWaalsContact O-N 3.12Å; V208-P210 WeakPolarHBondContact O-CD 3.2Å; V208-L216 HydrophobicContact CB-CD2 4.47Å; V208-L216 HydrophobicContact CG1-CB 4.42Å; V208-L216 HydrophobicContact CG1-CD2 3.82Å; V208-L216 HydrophobicContact CG1-CG 4.13Å; V208-L216 HydrophobicContact CG2-CD2 3.74Å; V208-L216 HydrophobicContact CG2-CG 4.48Å; V208-L220 HydrophobicContact CG2-CD1 4.4Å
209D62Low59.3Low86 Ų8698 Ų9846%0.4658%0.584SS.*  trans-75.2116.1175.4-177.9-8.3000110.1S211 A212 D213D209-S211 PolarHBondContact O-N 2.82Å; D209-S211 VanDerWaalsContact O-N 3.12Å; D209-S211 WeakPolarHBondContact OD1-CB 3.29Å; D209-S211 PolarHBondContact OD1-N 2.86Å; D209-S211 PolarHBondContact OD1-OG 3.05Å; D209-S211 PolarHBondContact OD2-OG 3.48Å; D209-A212 HydrophobicContact CB-CB 3.86Å; D209-A212 PolarHBondContact O-N 2.96Å; D209-D213 PolarHBondContact O-N 2.99Å
210P63.8Low61.3Low64 Ų6492 Ų9242%0.41655%0.553SS.*THydrogen-bonded Turntrans-64.1-15.2-180-22.335.5000113.7F204 V208 A217F204-P210 HydrophobicContact CE1-CG 3.32Å; F204-P210 HydrophobicContact CZ-CG 3.54Å; V208-P210 WeakPolarHBondContact O-CD 3.2Å; P210-A217 HydrophobicContact CB-CB 4.28Å
211S65.8Low63.3Low98 Ų98100.1 Ų100.169%0.68558%0.576SS**THydrogen-bonded Turntrans-89.6-22.7175.372.70000113.3D209D209-S211 PolarHBondContact O-N 2.82Å; D209-S211 VanDerWaalsContact O-N 3.12Å; D209-S211 WeakPolarHBondContact OD1-CB 3.29Å; D209-S211 PolarHBondContact OD1-N 2.86Å; D209-S211 PolarHBondContact OD1-OG 3.05Å; D209-S211 PolarHBondContact OD2-OG 3.48Å
212A69.5Low65.6Low74 Ų7498.6 Ų98.661%0.61256%0.556SS**THydrogen-bonded Turntrans-86.7-33.3-179.200000112.5D209D209-A212 HydrophobicContact CB-CB 3.86Å; D209-A212 PolarHBondContact O-N 2.96Å
213D71.5Confident67.7Low83 Ų8395.7 Ų95.744%0.44454%0.536SS..  trans-14682.4-177.9-133.8-16.5000112.7D209 E215 L216 A217D209-D213 PolarHBondContact O-N 2.99Å; D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.45Å; D213-L216 HydrophobicContact CB-CB 4.23Å; D213-L216 PolarHBondContact O-N 3.39Å; D213-A217 PolarHBondContact O-N 2.77Å
214P75.1Confident69.6Low88 Ų8894.5 Ų94.557%0.57153%0.527SS*.Hα-helixtrans-65.8-26.1-173.426.2-34.4000113.4L218P214-L218 WeakPolarHBondContact O-CB 3.44Å; P214-L218 PolarHBondContact O-N 3.43Å; P214-L218 VanDerWaalsContact O-N 3.1Å
215E75.1Confident71.2Confident160 Ų16094.4 Ų94.475%0.74853%0.528SS*.Hα-helixtrans-69-39.6176-67.3-166.4144.600111.7D213 L218 A219D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.45Å; E215-L218 PolarHBondContact O-N 3.1Å; E215-A219 WeakPolarHBondContact O-CB 3.1Å; E215-A219 PolarHBondContact O-N 3Å
216L73.9Confident72.7Confident72 Ų7290.8 Ų90.838%0.37751%0.511SS..Hα-helixtrans-72.7-36.8178.6-173.460.7000111.8V208 D213 L218 A219 L220V208-L216 HydrophobicContact CB-CD2 4.47Å; V208-L216 HydrophobicContact CG1-CB 4.42Å; V208-L216 HydrophobicContact CG1-CD2 3.82Å; V208-L216 HydrophobicContact CG1-CG 4.13Å; V208-L216 HydrophobicContact CG2-CD2 3.74Å; V208-L216 HydrophobicContact CG2-CG 4.48Å; D213-L216 HydrophobicContact CB-CB 4.23Å; D213-L216 PolarHBondContact O-N 3.39Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-A219 PolarHBondContact O-N 2.97Å; L216-L220 HydrophobicContact CG-CD1 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.29Å
217A76.6Confident73.9Confident31 Ų3189.1 Ų89.126%0.25651%0.505SS..Hα-helixtrans-62.9-41.3173.700000111.9P210 D213 R221P210-A217 HydrophobicContact CB-CB 4.28Å; D213-A217 PolarHBondContact O-N 2.77Å; A217-R221 WeakPolarHBondContact O-CB 3.4Å; A217-R221 PolarHBondContact O-N 3.09Å; A217-R221 VanDerWaalsContact O-N 3.09Å
218L75.5Confident74.9Confident118 Ų11893.2 Ų93.262%0.61850%0.499SS*.Hα-helixtrans-66.6-43.2175.2-165.4120.6000111.2P214 E215 L216 L220 R221 V222P214-L218 WeakPolarHBondContact O-CB 3.44Å; P214-L218 PolarHBondContact O-N 3.43Å; P214-L218 VanDerWaalsContact O-N 3.1Å; E215-L218 PolarHBondContact O-N 3.1Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.35Å; L218-R221 PolarHBondContact O-N 3.04Å; L218-V222 HydrophobicContact CD2-CG2 4.34Å; L218-V222 WeakPolarHBondContact O-CB 3.47Å; L218-V222 VanDerWaalsContact O-CG2 3.25Å; L218-V222 WeakPolarHBondContact O-CG2 3.32Å; L218-V222 PolarHBondContact O-N 2.87Å
219A80.5Confident76.1Confident53 Ų5397 Ų9744%0.43852%0.515SS..Hα-helixtrans-61.5-41.8177.800000112.8E215 L216 V222 S223E215-A219 WeakPolarHBondContact O-CB 3.1Å; E215-A219 PolarHBondContact O-N 3Å; L216-A219 PolarHBondContact O-N 2.97Å; A219-V222 PolarHBondContact O-N 3.3Å; A219-S223 VanDerWaalsContact O-CB 3.23Å; A219-S223 WeakPolarHBondContact O-CB 3.26Å; A219-S223 PolarHBondContact O-N 3.24Å
220L79.5Confident77Confident59 Ų59101.4 Ų101.431%0.30953%0.525SS..Hα-helixtrans-68.2-39.9176.6-74.3170.9000112.2F206 V208 L216 L218 S223 M224F206-L220 HydrophobicContact CB-CD1 4.38Å; F206-L220 HydrophobicContact CD1-CD1 3.68Å; F206-L220 HydrophobicContact CD1-CD2 4.41Å; F206-L220 HydrophobicContact CE1-CD1 4.35Å; F206-L220 HydrophobicContact CG-CD1 4.25Å; V208-L220 HydrophobicContact CG2-CD1 4.4Å; L216-L220 HydrophobicContact CG-CD1 4.42Å; L216-L220 WeakPolarHBondContact O-CG 3.33Å; L216-L220 PolarHBondContact O-N 3.29Å; L218-L220 PolarHBondContact O-N 3.35Å; L220-S223 PolarHBondContact O-N 3.47Å; L220-M224 WeakPolarHBondContact O-CB 3.36Å; L220-M224 WeakPolarHBondContact O-CG 3.34Å; L220-M224 PolarHBondContact O-N 3.4Å
221R78.8Confident77.7Confident193 Ų193104.7 Ų104.773%0.72853%0.534SS*.Hα-helixtrans-61.5-46.6174.1177.2175.2-88.2160.8-5.9111.2A217 L218 S223 M224 E225A217-R221 WeakPolarHBondContact O-CB 3.4Å; A217-R221 PolarHBondContact O-N 3.09Å; A217-R221 VanDerWaalsContact O-N 3.09Å; L218-R221 PolarHBondContact O-N 3.04Å; R221-S223 VanDerWaalsContact C-N 3.35Å; R221-M224 PolarHBondContact O-N 3.49Å; R221-E225 WeakPolarHBondContact O-CB 3.3Å; R221-E225 PolarHBondContact O-N 3.19Å
222V84.5Confident78.3Confident75 Ų75104.6 Ų104.646%0.45552%0.523SS..Hα-helixtrans-62.7-41.8176.8171.30000111L218 A219 E225 E226L218-V222 HydrophobicContact CD2-CG2 4.34Å; L218-V222 WeakPolarHBondContact O-CB 3.47Å; L218-V222 VanDerWaalsContact O-CG2 3.25Å; L218-V222 WeakPolarHBondContact O-CG2 3.32Å; L218-V222 PolarHBondContact O-N 2.87Å; A219-V222 PolarHBondContact O-N 3.3Å; V222-E225 PolarHBondContact O-N 3.25Å; V222-E226 VanDerWaalsContact O-CB 3.32Å; V222-E226 WeakPolarHBondContact O-CB 3.5Å; V222-E226 PolarHBondContact O-N 2.89Å
223S80.4Confident78.7Confident60 Ų60107.6 Ų107.642%0.4252%0.524SS..Hα-helixtrans-68-36.8-179.8-160.60000112.8A219 L220 R221 Q227A219-S223 VanDerWaalsContact O-CB 3.23Å; A219-S223 WeakPolarHBondContact O-CB 3.26Å; A219-S223 PolarHBondContact O-N 3.24Å; L220-S223 PolarHBondContact O-N 3.47Å; R221-S223 VanDerWaalsContact C-N 3.35Å; S223-Q227 WeakPolarHBondContact O-CB 3.1Å; S223-Q227 WeakPolarHBondContact O-CG 3.25Å; S223-Q227 PolarHBondContact O-N 3.41Å
224M81.5Confident78.9Confident120 Ų120110.6 Ų110.659%0.59154%0.536SS*.Hα-helixtrans-69.2-40173.6-77.8-70.3-16100112.3L220 R221 Q227 R228L220-M224 WeakPolarHBondContact O-CB 3.36Å; L220-M224 WeakPolarHBondContact O-CG 3.34Å; L220-M224 PolarHBondContact O-N 3.4Å; R221-M224 PolarHBondContact O-N 3.49Å; M224-Q227 PolarHBondContact O-N 3.14Å; M224-R228 WeakPolarHBondContact O-CB 3.45Å; M224-R228 PolarHBondContact O-N 2.96Å
225E80.9Confident79Confident111 Ų111109.1 Ų109.152%0.51953%0.531SS..Hα-helixtrans-69.6-37.9177.9-168.2161.7-158.100111.8R221 V222 R228 Q229R221-E225 WeakPolarHBondContact O-CB 3.3Å; R221-E225 PolarHBondContact O-N 3.19Å; V222-E225 PolarHBondContact O-N 3.25Å; E225-R228 PolarHBondContact O-N 2.86Å; E225-Q229 WeakPolarHBondContact O-CG 3.4Å; E225-Q229 PolarHBondContact O-N 2.94Å
226E82Confident79Confident113 Ų113111 Ų11153%0.52853%0.531SS..Hα-helixtrans-66.1-40.8173-169.8-177166.900111.8V222 Q229 R230V222-E226 VanDerWaalsContact O-CB 3.32Å; V222-E226 WeakPolarHBondContact O-CB 3.5Å; V222-E226 PolarHBondContact O-N 2.89Å; E226-Q229 PolarHBondContact O-N 3.45Å; E226-R230 WeakPolarHBondContact O-CB 3.44Å; E226-R230 PolarHBondContact O-N 2.99Å
227Q80.1Confident79.1Confident113 Ų113117.2 Ų117.253%0.52855%0.55SS..Hα-helixtrans-64-40.6173.3-84.9-173.1-27.400112.2S223 M224 R230 Q231S223-Q227 WeakPolarHBondContact O-CB 3.1Å; S223-Q227 WeakPolarHBondContact O-CG 3.25Å; S223-Q227 PolarHBondContact O-N 3.41Å; M224-Q227 PolarHBondContact O-N 3.14Å; Q227-R230 PolarHBondContact O-N 3.34Å; Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 3.38Å
228R80.8Confident79.1Confident158 Ų158118.6 Ų118.660%0.59656%0.561SS**Hα-helixtrans-64.5-43.5176.1-175.5-174.9153.4153.7-2.5111.4M224 E225 R230 Q231 E232M224-R228 WeakPolarHBondContact O-CB 3.45Å; M224-R228 PolarHBondContact O-N 2.96Å; E225-R228 PolarHBondContact O-N 2.86Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R228-R230 PolarHBondContact O-N 3.35Å; R228-Q231 PolarHBondContact O-N 3.01Å; R228-E232 IonicContact CZ-OE1 3.25Å; R228-E232 VanDerWaalsContact CZ-OE1 3.25Å; R228-E232 IonicContact NE-OE1 2.82Å; R228-E232 PolarHBondContact NE-OE1 3.48Å; R228-E232 IonicContact NH2-OE1 2.82Å; R228-E232 PolarHBondContact NH2-OE1 2.9Å; R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 WeakPolarHBondContact O-CG 3.47Å; R228-E232 PolarHBondContact O-N 3.33Å
229Q79.3Confident78.8Confident109 Ų109115.5 Ų115.551%0.50955%0.553SS.*Hα-helixtrans-62.3-40.3174.9-77.3179.517.700111.8E225 E226 Q231 E232 E233E225-Q229 WeakPolarHBondContact O-CG 3.4Å; E225-Q229 PolarHBondContact O-N 2.94Å; E226-Q229 PolarHBondContact O-N 3.45Å; Q229-Q231 PolarHBondContact O-N 3.32Å; Q229-E232 PolarHBondContact O-N 2.83Å; Q229-E233 WeakPolarHBondContact O-CB 3.46Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 3.31Å
230R80.9Confident78.3Confident177 Ų177115.9 Ų115.967%0.66856%0.556SS**Hα-helixtrans-61.4-42.6173.8-110.4-174.8169.8162.50.9112.8E226 Q227 R228 E233 E234E226-R230 WeakPolarHBondContact O-CB 3.44Å; E226-R230 PolarHBondContact O-N 2.99Å; Q227-R230 PolarHBondContact O-N 3.34Å; R228-R230 VanDerWaalsContact C-N 3.33Å; R228-R230 PolarHBondContact O-N 3.35Å; R230-E233 PolarHBondContact O-N 3.09Å; R230-E234 VanDerWaalsContact O-CB 3.29Å; R230-E234 WeakPolarHBondContact O-CB 3.34Å; R230-E234 PolarHBondContact O-N 3.06Å
231Q80.2Confident77.8Confident133 Ų133115.9 Ų115.962%0.62156%0.564SS**Hα-helixtrans-66.9-39.6176.6-73.1178.4700111.7Q227 R228 Q229 E234 A235Q227-Q231 WeakPolarHBondContact O-CG 3.38Å; Q227-Q231 PolarHBondContact O-N 3.38Å; R228-Q231 PolarHBondContact O-N 3.01Å; Q229-Q231 PolarHBondContact O-N 3.32Å; Q231-E234 PolarHBondContact O-N 3.22Å; Q231-A235 WeakPolarHBondContact O-CB 3.47Å; Q231-A235 PolarHBondContact O-N 3.35Å
232E77.6Confident76.9Confident97 Ų97110 Ų11045%0.45355%0.553SS.*Hα-helixtrans-68.3-38176.2-75.7179-173.700112R228 Q229 R236R228-E232 IonicContact CZ-OE1 3.25Å; R228-E232 VanDerWaalsContact CZ-OE1 3.25Å; R228-E232 IonicContact NE-OE1 2.82Å; R228-E232 PolarHBondContact NE-OE1 3.48Å; R228-E232 IonicContact NH2-OE1 2.82Å; R228-E232 PolarHBondContact NH2-OE1 2.9Å; R228-E232 WeakPolarHBondContact O-CB 3.24Å; R228-E232 WeakPolarHBondContact O-CG 3.47Å; R228-E232 PolarHBondContact O-N 3.33Å; Q229-E232 PolarHBondContact O-N 2.83Å; E232-R236 WeakPolarHBondContact O-CB 3.4Å; E232-R236 PolarHBondContact O-N 2.92Å
233E77Confident75.7Confident136 Ų136109.8 Ų109.864%0.63656%0.559SS**Hα-helixtrans-68.9-40173.9-77-168.5160.700112.3Q229 R230 R236 R237Q229-E233 WeakPolarHBondContact O-CB 3.46Å; Q229-E233 WeakPolarHBondContact O-CG 3.45Å; Q229-E233 PolarHBondContact O-N 3.31Å; R230-E233 PolarHBondContact O-N 3.09Å; E233-R236 PolarHBondContact O-N 3.49Å; E233-R237 WeakPolarHBondContact O-CB 3.34Å; E233-R237 PolarHBondContact O-N 3.41Å
234E77.3Confident74.5Confident146 Ų146110.7 Ų110.768%0.68257%0.57SS**Hα-helixtrans-69.2-38.1175.9-164.4167.1-163.300111.1R230 Q231 R237 A238R230-E234 VanDerWaalsContact O-CB 3.29Å; R230-E234 WeakPolarHBondContact O-CB 3.34Å; R230-E234 PolarHBondContact O-N 3.06Å; Q231-E234 PolarHBondContact O-N 3.22Å; E234-R237 PolarHBondContact O-N 3.18Å; E234-A238 VanDerWaalsContact O-CB 3.25Å; E234-A238 WeakPolarHBondContact O-CB 3.31Å; E234-A238 PolarHBondContact O-N 2.91Å
235A76.4Confident72.8Confident58 Ų58113.5 Ų113.548%0.47958%0.582SS.*Hα-helixtrans-66.2-40171.400000112.2Q231 A238 A239Q231-A235 WeakPolarHBondContact O-CB 3.47Å; Q231-A235 PolarHBondContact O-N 3.35Å; A235-A238 PolarHBondContact O-N 3.33Å; A235-A239 VanDerWaalsContact O-CB 3.25Å; A235-A239 WeakPolarHBondContact O-CB 3.25Å; A235-A239 PolarHBondContact O-N 3.39Å
236R75.3Confident71.2Confident198 Ų198111.6 Ų111.675%0.74759%0.585SS**Hα-helixtrans-68.4-35.8175.3-174.2178.3177.7-1680.9111.5E232 E233 A239 A240E232-R236 WeakPolarHBondContact O-CB 3.4Å; E232-R236 PolarHBondContact O-N 2.92Å; E233-R236 PolarHBondContact O-N 3.49Å; R236-A239 PolarHBondContact O-N 2.94Å; R236-A240 VanDerWaalsContact O-CB 3.3Å; R236-A240 WeakPolarHBondContact O-CB 3.48Å; R236-A240 PolarHBondContact O-N 3.38Å
237R76Confident69.3Low203 Ų203109.2 Ų109.277%0.76659%0.591SS**Hα-helixtrans-72.1-37.8175-165.5177.5-165.4165.94.7111.6E233 E234 A240 A241E233-R237 WeakPolarHBondContact O-CB 3.34Å; E233-R237 PolarHBondContact O-N 3.41Å; E234-R237 PolarHBondContact O-N 3.18Å; R237-A240 PolarHBondContact O-N 2.89Å; R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.19Å; R237-A241 PolarHBondContact O-N 3.46Å
238A76.3Confident67.1Low60 Ų60111.9 Ų111.950%0.49661%0.607SS.*Hα-helixtrans-66.7-38.5171.800000111.8E234 A235 A241 S242E234-A238 VanDerWaalsContact O-CB 3.25Å; E234-A238 WeakPolarHBondContact O-CB 3.31Å; E234-A238 PolarHBondContact O-N 2.91Å; A235-A238 PolarHBondContact O-N 3.33Å; A238-A241 PolarHBondContact O-N 3.1Å; A238-S242 PolarHBondContact O-N 2.92Å; A238-S242 PolarHBondContact O-OG 2.66Å; A238-S242 VanDerWaalsContact O-OG 3.05Å
239A69.9Low64.8Low54 Ų54108.4 Ų108.445%0.44661%0.612SS.*Hα-helixtrans-68.7-36.9173.800000112.7A235 R236 S242 A243A235-A239 VanDerWaalsContact O-CB 3.25Å; A235-A239 WeakPolarHBondContact O-CB 3.25Å; A235-A239 PolarHBondContact O-N 3.39Å; R236-A239 PolarHBondContact O-N 2.94Å; A239-S242 WeakPolarHBondContact CA-OG 3.29Å; A239-S242 PolarHBondContact O-OG 3.3Å; A239-A243 VanDerWaalsContact O-CB 3.31Å; A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 3.05Å
240A70.4Confident62.7Low60 Ų60109.3 Ų109.350%0.49663%0.625SS.*Hα-helixtrans-71-34.8173.900000112.1R236 R237 A244R236-A240 VanDerWaalsContact O-CB 3.3Å; R236-A240 WeakPolarHBondContact O-CB 3.48Å; R236-A240 PolarHBondContact O-N 3.38Å; R237-A240 PolarHBondContact O-N 2.89Å; A240-A244 WeakPolarHBondContact O-CB 3.21Å; A240-A244 PolarHBondContact O-N 3.16Å
241A68.1Low60Low59 Ų59107.7 Ų107.749%0.48864%0.635SS.*Hα-helixtrans-67.9-40.9174.300000111.8R237 A238 A244 E245R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.19Å; R237-A241 PolarHBondContact O-N 3.46Å; A238-A241 PolarHBondContact O-N 3.1Å; A241-A244 PolarHBondContact O-N 2.85Å; A241-E245 PolarHBondContact O-N 3.39Å
242S60.8Low57.8Low70 Ų70104.7 Ų104.749%0.4964%0.64SS.*Hα-helixtrans-71.1-31.4175.1570000113.1A238 A239 A246A238-S242 PolarHBondContact O-N 2.92Å; A238-S242 PolarHBondContact O-OG 2.66Å; A238-S242 VanDerWaalsContact O-OG 3.05Å; A239-S242 WeakPolarHBondContact CA-OG 3.29Å; A239-S242 PolarHBondContact O-OG 3.3Å; S242-A246 PolarHBondContact O-N 3.12Å
243A58.2Low55.4Low71 Ų71106.2 Ų106.259%0.58766%0.656SS**Hα-helixtrans-70.3-31.1170.300000113.1A239A239-A243 VanDerWaalsContact O-CB 3.31Å; A239-A243 WeakPolarHBondContact O-CB 3.33Å; A239-A243 PolarHBondContact O-N 3.05Å
244A56.4Low53.5Low78 Ų78109 Ų10965%0.64567%0.669SS**Hα-helixtrans-76.4-28.4175.400000113.2A240 A241 A246A240-A244 WeakPolarHBondContact O-CB 3.21Å; A240-A244 PolarHBondContact O-N 3.16Å; A241-A244 PolarHBondContact O-N 2.85Å; A244-A246 VanDerWaalsContact C-N 3.32Å
245E46.1Very low51.7Low179 Ų179105.7 Ų105.784%0.83667%0.674SS**Hα-helixtrans-74.1-21.2175.4-125.6-176.9163.300113.1A241 G247A241-E245 PolarHBondContact O-N 3.39Å; E245-G247 PolarHBondContact O-N 3.37Å
246A45.7Very low49.8Very low71 Ų71111.4 Ų111.459%0.58769%0.691SS**THydrogen-bonded Turntrans-85.628.3177.500000114S242 A244 I248S242-A246 PolarHBondContact O-N 3.12Å; A244-A246 VanDerWaalsContact C-N 3.32Å; A246-I248 PolarHBondContact O-N 2.94Å
247G43.5Very low48.1Very low63 Ų63113.1 Ų113.165%0.64970%0.698SS**  trans-37119.2-167.500000116.9E245E245-G247 PolarHBondContact O-N 3.37Å
248I32.9Very low46.4Very low169 Ų169110 Ų11087%0.86770%0.696SS**  trans-136.4118.1161.7-59.9176.4000108.4A246A246-I248 PolarHBondContact O-N 2.94Å
249A33.6Very low44.9Very low85 Ų85110.5 Ų110.570%0.70270%0.696SS**  trans-93.6127.5176.400000111.8
250T33.8Very low43.7Very low128 Ų128114.1 Ų114.179%0.78571%0.708SS**  trans61.8115.4148.665.90000120.5
251T25.8Very low42.6Very low144 Ų144115.7 Ų115.788%0.88371%0.708SS**  -164.2136102.641.20000108.9
252G32.5Very low41.7Very low70 Ų70115.5 Ų115.572%0.72271%0.706SS**  trans-81.1147.7-171.500000114.1
253T27.7Very low41.4Very low129 Ų129118.5 Ų118.579%0.79172%0.716SS**  -177.2120.3129.310.90000109.2
254E37.6Very low41Very low193 Ų193121 Ų12190%0.90272%0.719SS**  trans47105142.5-56.2179.4-177.600119.1
255G38.3Very low40.7Very low77 Ų77123.7 Ų123.779%0.79472%0.716SS**  trans154.359.7158.200000116.4
256E38.1Very low40.7Very low178 Ų178122.2 Ų122.283%0.83271%0.711SS**SBendtrans-160.435166.8-118.8177.9159.200113
257R39.2Very low40.6Very low235 Ų235123.7 Ų123.789%0.88771%0.713SS**SBendtrans-1113.5171.3-92.6-175.2178.4166.1-0.9113.8
258D40.8Very low40.8Very low136 Ų136126.8 Ų126.873%0.72771%0.713SS**SBendtrans-104.9-9.6-167.6-135.123.4000114.1A262D258-A262 WeakPolarHBondContact O-CB 3.42Å
259S44.8Very low41Very low72 Ų72123.1 Ų123.150%0.50370%0.702SS.*Hα-helixtrans-85.3-36.917928.60000113.3
260D44.3Very low41.3Very low130 Ų130127.6 Ų127.670%0.69571%0.709SS**Hα-helixtrans-81.6-29.6-179.3-63.9-26.2000112.1L264D260-L264 PolarHBondContact O-N 3.45Å
261D46Very low41.6Very low92 Ų92129.9 Ų129.949%0.49271%0.711SS.*Hα-helixtrans-77.8-23.7177.3-15343.1000112.3K265D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 2.89Å
262A50.6Low41.9Very low55 Ų55131.3 Ų131.346%0.45571%0.707SS.*Hα-helixtrans-77.3-33.517600000113.2D258 K265 M266D258-A262 WeakPolarHBondContact O-CB 3.42Å; A262-K265 PolarHBondContact O-N 3.16Å; A262-M266 PolarHBondContact O-N 2.85Å; A262-M266 VanDerWaalsContact O-N 3.13Å
263L52.7Low41.8Very low133 Ų133138.5 Ų138.570%0.69672%0.719SS**Hα-helixtrans-73.3-37.5178.3-116.2152.5000111.6M266 T267L263-M266 PolarHBondContact O-N 3.01Å; L263-T267 PolarHBondContact O-N 3.23Å; L263-T267 PolarHBondContact O-OG1 2.88Å; L263-T267 VanDerWaalsContact O-OG1 3.08Å
264L50.6Low42.1Very low124 Ų124135.5 Ų135.565%0.64971%0.714SS**Hα-helixtrans-69.8-33.6172.8-126.2114.2000112.4D260 T267 I268D260-L264 PolarHBondContact O-N 3.45Å; L264-T267 PolarHBondContact O-OG1 3.34Å; L264-T267 VanDerWaalsContact O-OG1 3.14Å; L264-I268 PolarHBondContact O-N 3.32Å
265K50.2Low41.8Very low134 Ų134138.2 Ų138.258%0.58372%0.716SS**Hα-helixtrans-69.3-29.3173.9-108.9172.5177.3161.80113.7D261 A262 I268 S269D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 2.89Å; A262-K265 PolarHBondContact O-N 3.16Å; K265-I268 WeakPolarHBondContact O-CG2 3.43Å; K265-S269 WeakPolarHBondContact O-CB 3.4Å; K265-S269 PolarHBondContact O-N 3.3Å; K265-S269 PolarHBondContact O-OG 3.4Å
266M45.6Very low41.7Very low149 Ų149141.7 Ų141.773%0.73472%0.722SS**Hα-helixtrans-77.8-28.5-179.4-151.7168.9-166.400112.2A262 L263A262-M266 PolarHBondContact O-N 2.85Å; A262-M266 VanDerWaalsContact O-N 3.13Å; L263-M266 PolarHBondContact O-N 3.01Å
267T44.6Very low42.1Very low101 Ų101136.7 Ų136.762%0.6272%0.718SS**Hα-helixtrans-75.4-34.5170.722.80000112.7L263 L264L263-T267 PolarHBondContact O-N 3.23Å; L263-T267 PolarHBondContact O-OG1 2.88Å; L263-T267 VanDerWaalsContact O-OG1 3.08Å; L264-T267 PolarHBondContact O-OG1 3.34Å; L264-T267 VanDerWaalsContact O-OG1 3.14Å
268I46.3Very low42.4Very low129 Ų129131.9 Ų131.966%0.66271%0.709SS**Hα-helixtrans-77.4-20.7178.4-150.9138000113.7L264 K265L264-I268 PolarHBondContact O-N 3.32Å; K265-I268 WeakPolarHBondContact O-CG2 3.43Å
269S38.3Very low42.9Very low91 Ų91130.1 Ų130.164%0.63671%0.705SS**THydrogen-bonded Turntrans-89.9-4.8-179.8440000114.8K265K265-S269 WeakPolarHBondContact O-CB 3.4Å; K265-S269 PolarHBondContact O-N 3.3Å; K265-S269 PolarHBondContact O-OG 3.4Å
270Q38.7Very low42.8Very low179 Ų179132.1 Ų132.184%0.83671%0.71SS**THydrogen-bonded Turntrans-96.94176-141.4173.643.800114.1
271Q41.7Very low43.2Very low176 Ų176130.9 Ų130.982%0.82270%0.703SS**SBendtrans-130.234-176.2-118.2-179.84.500114.8
272E32Very low43.7Very low175 Ų175131.3 Ų131.382%0.81871%0.714SS**  trans-122.587.7161.7-82.5-163.312600111.6
273F30.2Very low43.7Very low220 Ų220133.6 Ų133.697%0.96573%0.726SS**SBendtrans-125.290.6140.2-133.4-90000108.7
274G34.4Very low43.4Very low67 Ų67132 Ų13269%0.69172%0.716SS**SBendtrans93.191.2150.900000118.2
275R29.6Very low44.3Very low250 Ų250130.8 Ų130.894%0.94371%0.714SS**  -169.5126.6124.4-112.2175.5174.8177.2-1.7111.2
276T37.7Very low44.6Very low149 Ų149131.6 Ų131.691%0.91472%0.72SS**  trans-71.1131.5179.547.50000112.2
277G47Very low45.3Very low73 Ų73132.6 Ų132.675%0.75372%0.723SS**  trans107.774.9154.900000116.3
278L45.2Very low46.4Very low134 Ų134132.6 Ų132.670%0.70272%0.716SS**  trans-134.4135.2159.8-72.8167.7000108.8Y292L278-Y292 WeakPolarHBondContact CD2-OH 3.5Å
279P50.5Low47.5Very low99 Ų99129.9 Ų129.964%0.64370%0.7SS**  trans-73.9150.9176.328.4-30.6000112L281P279-L281 PolarHBondContact O-N 3.47Å
280D43.2Very low48.7Very low114 Ų114130 Ų13061%0.6169%0.693SS**  trans-67.8113.2-174.7-169.1-11.3000112.2S282 S283D280-S282 VanDerWaalsContact CG-OG 3.28Å; D280-S282 PolarHBondContact O-N 3.08Å; D280-S282 PolarHBondContact OD1-N 2.72Å; D280-S282 PolarHBondContact OD1-OG 3.15Å; D280-S282 PolarHBondContact OD2-OG 3.12Å; D280-S283 PolarHBondContact O-OG 3.44Å
281L51.1Low50.1Low105 Ų105124.2 Ų124.255%0.5568%0.675SS.*G310 helixtrans-70.6-8.6-176.6-83.7141.5000114P279 S283 Q289P279-L281 PolarHBondContact O-N 3.47Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.33Å; L281-Q289 HydrophobicContact CD2-CG 4.16Å; L281-Q289 PolarHBondContact O-NE2 2.92Å
282S56.9Low51.6Low101 Ų101120.4 Ų120.471%0.70665%0.654SS**G310 helixtrans-78.8-13-17862.30000114.2D280D280-S282 VanDerWaalsContact CG-OG 3.28Å; D280-S282 PolarHBondContact O-N 3.08Å; D280-S282 PolarHBondContact OD1-N 2.72Å; D280-S282 PolarHBondContact OD1-OG 3.15Å; D280-S282 PolarHBondContact OD2-OG 3.12Å
283S52.3Low53.4Low102 Ų102114.6 Ų114.671%0.71364%0.636SS**G310 helixtrans-108.71.2-176.662.70000116.3D280 L281D280-S283 PolarHBondContact O-OG 3.44Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-S283 PolarHBondContact O-N 3.33Å
284M46.3Very low55.3Low100 Ų100110.4 Ų110.449%0.49362%0.621SS.*SBendtrans-105.4146.5-180-61.3-137.4108.900111.8E288 Q289M284-E288 HydrophobicContact CB-CB 4.36Å; M284-E288 WeakPolarHBondContact CE-OE2 3.44Å; M284-E288 HydrophobicContact SD-CB 4.42Å; M284-Q289 HydrophobicContact CB-CG 4.35Å; M284-Q289 PolarHBondContact O-NE2 3.04Å
285T69.3Low56.9Low98 Ų98113 Ų11360%0.60162%0.616SS**  trans-72.3151.1178.749.70000111.1E287 E288 Q289T285-E287 PolarHBondContact O-N 2.71Å; T285-E288 PolarHBondContact O-N 3.32Å; T285-Q289 PolarHBondContact O-N 2.92Å
286E55.2Low58.5Low152 Ų152106.6 Ų106.671%0.7160%0.598SS**Hα-helixtrans-50.5-33.6-172.7-170.2176.517100113.6Q289 I290E286-Q289 PolarHBondContact O-N 3.24Å; E286-I290 HydrophobicContact CG-CD1 4.24Å; E286-I290 WeakPolarHBondContact O-CD1 3.45Å; E286-I290 VanDerWaalsContact O-CG1 3.27Å; E286-I290 WeakPolarHBondContact O-CG1 3.45Å; E286-I290 PolarHBondContact O-N 3.3Å
287E60.9Low59.8Low169 Ų169103.7 Ų103.779%0.7958%0.583SS**Hα-helixtrans-73-30.9179.9-142.3154.8-169.600113.1T285 A291T285-E287 PolarHBondContact O-N 2.71Å; E287-A291 PolarHBondContact O-N 2.96Å
288E68.3Low60.4Low101 Ų101106.3 Ų106.347%0.47258%0.579SS.*Hα-helixtrans-75.5-32.1171.6-81.7-178.714700111.9M284 T285 A291 Y292M284-E288 HydrophobicContact CB-CB 4.36Å; M284-E288 WeakPolarHBondContact CE-OE2 3.44Å; M284-E288 HydrophobicContact SD-CB 4.42Å; T285-E288 PolarHBondContact O-N 3.32Å; E288-A291 PolarHBondContact O-N 3.35Å; E288-Y292 WeakPolarHBondContact O-CB 3.49Å; E288-Y292 PolarHBondContact O-N 2.97Å
289Q69.3Low60.7Low73 Ų73105.9 Ų105.934%0.34157%0.574SS.*Hα-helixtrans-68.3-39.6175.8-61.6-176.320.500111.6L281 M284 T285 E286 Y292 A293L281-Q289 HydrophobicContact CD2-CG 4.16Å; L281-Q289 PolarHBondContact O-NE2 2.92Å; M284-Q289 HydrophobicContact CB-CG 4.35Å; M284-Q289 PolarHBondContact O-NE2 3.04Å; T285-Q289 PolarHBondContact O-N 2.92Å; E286-Q289 PolarHBondContact O-N 3.24Å; Q289-Y292 PolarHBondContact O-N 3.48Å; Q289-A293 WeakPolarHBondContact O-CB 3.49Å; Q289-A293 PolarHBondContact O-N 3Å
290I62.2Low60.6Low93 Ų93103.4 Ų103.448%0.47757%0.566SS.*Hα-helixtrans-66.5-40.9176.2-66.4163.2000110.9E286 A293 M294E286-I290 HydrophobicContact CG-CD1 4.24Å; E286-I290 WeakPolarHBondContact O-CD1 3.45Å; E286-I290 VanDerWaalsContact O-CG1 3.27Å; E286-I290 WeakPolarHBondContact O-CG1 3.45Å; E286-I290 PolarHBondContact O-N 3.3Å; I290-A293 PolarHBondContact O-N 2.82Å; I290-M294 HydrophobicContact CG2-CE 4.37Å; I290-M294 VanDerWaalsContact O-CB 3.3Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.82Å
291A68.7Low60.7Low57 Ų57101.2 Ų101.247%0.47156%0.564SS.*Hα-helixtrans-64-41.1175.200000112.2E287 E288 M294 Q295E287-A291 PolarHBondContact O-N 2.96Å; E288-A291 PolarHBondContact O-N 3.35Å; A291-M294 PolarHBondContact O-N 2.89Å; A291-Q295 WeakPolarHBondContact O-CB 3.39Å; A291-Q295 PolarHBondContact O-N 3.44Å
292Y72.9Confident60.2Low97 Ų97103.2 Ų103.238%0.3857%0.57SS.*Hα-helixtrans-66.9-41.7177.3-171.5-105.6000112.3L278 E288 Q289 Q295 M296L278-Y292 WeakPolarHBondContact CD2-OH 3.5Å; E288-Y292 WeakPolarHBondContact O-CB 3.49Å; E288-Y292 PolarHBondContact O-N 2.97Å; Q289-Y292 PolarHBondContact O-N 3.48Å; Y292-Q295 PolarHBondContact O-N 3.32Å; Y292-M296 PolarHBondContact O-N 3.25Å
293A69.9Low59.3Low53 Ų53107.1 Ų107.144%0.43858%0.575SS.*Hα-helixtrans-65.8-37.9174.800000112.7Q289 I290 M296 S297Q289-A293 WeakPolarHBondContact O-CB 3.49Å; Q289-A293 PolarHBondContact O-N 3Å; I290-A293 PolarHBondContact O-N 2.82Å; A293-M296 PolarHBondContact O-N 3.34Å; A293-S297 WeakPolarHBondContact O-CB 3.35Å; A293-S297 PolarHBondContact O-N 2.79Å; A293-S297 PolarHBondContact O-OG 3.4Å
294M70.2Confident58.6Low131 Ų131105.4 Ų105.465%0.64557%0.573SS**Hα-helixtrans-66.9-38.3174.5-162.2-179.5-61.400111.5I290 A291 S297 L298I290-M294 HydrophobicContact CG2-CE 4.37Å; I290-M294 VanDerWaalsContact O-CB 3.3Å; I290-M294 WeakPolarHBondContact O-CB 3.32Å; I290-M294 PolarHBondContact O-N 2.82Å; A291-M294 PolarHBondContact O-N 2.89Å; M294-S297 PolarHBondContact O-N 3.49Å; M294-L298 PolarHBondContact O-N 3.45Å
295Q68.4Low58Low123 Ų123108.6 Ų108.658%0.57559%0.587SS**Hα-helixtrans-67.6-40.4174.6-173.5172.37.900112.4A291 Y292 S297 L298 Q299A291-Q295 WeakPolarHBondContact O-CB 3.39Å; A291-Q295 PolarHBondContact O-N 3.44Å; Y292-Q295 PolarHBondContact O-N 3.32Å; Q295-S297 VanDerWaalsContact C-N 3.28Å; Q295-S297 PolarHBondContact O-N 3.48Å; Q295-L298 PolarHBondContact O-N 3.47Å; Q295-Q299 WeakPolarHBondContact O-CB 3.46Å; Q295-Q299 PolarHBondContact O-N 3.26Å
296M63.9Low56.3Low115 Ų115107.6 Ų107.657%0.56759%0.589SS**Hα-helixtrans-67.4-31.9175.5-147.9-175.8-166.700111.7Y292 A293 Q299 G300Y292-M296 PolarHBondContact O-N 3.25Å; A293-M296 PolarHBondContact O-N 3.34Å; M296-Q299 PolarHBondContact O-N 2.91Å; M296-G300 PolarHBondContact O-N 2.92Å
297S64.5Low55.2Low87 Ų87109.7 Ų109.761%0.60860%0.599SS**Hα-helixtrans-71.9-34.5173.8-58.80000112.1A293 M294 Q295 A301A293-S297 WeakPolarHBondContact O-CB 3.35Å; A293-S297 PolarHBondContact O-N 2.79Å; A293-S297 PolarHBondContact O-OG 3.4Å; M294-S297 PolarHBondContact O-N 3.49Å; Q295-S297 VanDerWaalsContact C-N 3.28Å; Q295-S297 PolarHBondContact O-N 3.48Å; S297-A301 PolarHBondContact O-N 2.82Å
298L58.9Low54Low128 Ų128106.8 Ų106.867%0.6760%0.597SS**Hα-helixtrans-70.5-37.9172.7-153.786.4000111.6M294 Q295 A301 E302M294-L298 PolarHBondContact O-N 3.45Å; Q295-L298 PolarHBondContact O-N 3.47Å; L298-A301 WeakPolarHBondContact O-CB 3.23Å; L298-A301 PolarHBondContact O-N 2.96Å; L298-E302 PolarHBondContact O-N 3.33Å
299Q51.8Low52.4Low125 Ų125106 Ų10658%0.58461%0.607SS**Hα-helixtrans-75.7-26.3177-159153.843.300112.5Q295 M296 A301 E302 F303Q295-Q299 WeakPolarHBondContact O-CB 3.46Å; Q295-Q299 PolarHBondContact O-N 3.26Å; M296-Q299 PolarHBondContact O-N 2.91Å; Q299-A301 VanDerWaalsContact C-N 3.27Å; Q299-E302 PolarHBondContact O-N 2.97Å; Q299-F303 PolarHBondContact O-N 3.43Å
300G47.5Very low50.6Low47 Ų47110.1 Ų110.149%0.48563%0.632SS.*Hα-helixtrans-67-25.5165.700000113.4M296 G304M296-G300 PolarHBondContact O-N 2.92Å; G300-G304 PolarHBondContact O-N 3.06Å
301A46.3Very low49.5Very low69 Ų69113.9 Ų113.957%0.5765%0.651SS**Hα-helixtrans-78.4-21.9172.600000113.3S297 L298 Q299S297-A301 PolarHBondContact O-N 2.82Å; L298-A301 WeakPolarHBondContact O-CB 3.23Å; L298-A301 PolarHBondContact O-N 2.96Å; Q299-A301 VanDerWaalsContact C-N 3.27Å
302E40.3Very low47.7Very low146 Ų146118.1 Ų118.168%0.68267%0.666SS**Hα-helixtrans-83.6-16171.3-92.8-178.1126.300113.7L298 Q299L298-E302 PolarHBondContact O-N 3.33Å; Q299-E302 PolarHBondContact O-N 2.97Å
303F38Very low45.9Very low184 Ų184118.5 Ų118.581%0.80769%0.689SS**SBendtrans-98.1-3.5174.7-128.8-92.4000114Q299 Q305Q299-F303 PolarHBondContact O-N 3.43Å; F303-Q305 VanDerWaalsContact C-N 3.35Å
304G37.3Very low44Very low65 Ų65121.5 Ų121.567%0.6771%0.707SS**SBendtrans-883.8171.200000114.6G300G300-G304 PolarHBondContact O-N 3.06Å
305Q34.5Very low42Very low167 Ų167120.5 Ų120.578%0.7871%0.713SS**SBendtrans-112.424.3-176.4-140.217240.800113F303F303-Q305 VanDerWaalsContact C-N 3.35Å
306A32.8Very low40.2Very low77 Ų77119.2 Ų119.264%0.63672%0.723SS**SBendtrans-129.613.6-179.500000115.1
307E32.7Very low38.8Very low197 Ų197122.1 Ų122.192%0.92174%0.738SS**SBendtrans-129.444.8166.9-82.7-162.9145.700112
308S34.9Very low36.9Very low108 Ų108124.8 Ų124.876%0.75575%0.745SS**SBendtrans-146.446.716469.30000110.8
309A35.4Very low36Very low83 Ų83124.2 Ų124.269%0.68675%0.747SS**  trans-14569175.900000109.3
310D32.3Very low35Very low161 Ų161122.9 Ų122.986%0.86175%0.751SS**SBendtrans-178.181.9148.7-94.4-30.9000108.9
311I38.9Very low34.2Very low171 Ų171129.5 Ų129.588%0.87777%0.77SS**SBendtrans-170.7130.3132.2-84.6146.8000104.6
312D30.4Very low33.5Very low147 Ų147132.6 Ų132.679%0.78678%0.784SS**  trans94.272.4168.7-130.67000118
313A35.2Very low33Very low105 Ų105130.1 Ų130.187%0.86879%0.788SS**  trans-153.663.9152.400000110.8
314S29.1Very low32.8Very low115 Ų115129.5 Ų129.580%0.80479%0.785SS**  trans-150.269.7161.169.60000111.2
315S29.4Very low32.6Very low111 Ų111134.7 Ų134.778%0.77679%0.792SS**  trans-124.263.3161.453.40000109.3M317S315-M317 PolarHBondContact O-N 2.92Å
316A29.4Very low32.7Very low96 Ų96132.8 Ų132.879%0.79378%0.783SS**  trans-74.6100.4159.200000108.1D318A316-D318 PolarHBondContact O-N 3.41Å
317M35.4Very low33.1Very low176 Ų176135.7 Ų135.787%0.86779%0.788SS**  trans2493.9134.1-165.9174.1169.900115.3S315S315-M317 PolarHBondContact O-N 2.92Å
318D24.4Very low33.6Very low143 Ų143132.6 Ų132.677%0.76578%0.778SS**  trans-121120.8156.4-164.719.3000109.2A316A316-D318 PolarHBondContact O-N 3.41Å
319T40.7Very low34.1Very low116 Ų116135.8 Ų135.871%0.71278%0.775SS**  trans-85.4108.4-17841.80000109.1
320S29.5Very low34.9Very low96 Ų96136.7 Ų136.767%0.67177%0.768SS**  trans-146110164.960.70000111.2
321E31Very low35.9Very low187 Ų187132.4 Ų132.487%0.87475%0.748SS**  trans55.7112.7152.6-60.1-173143.600119.8A323E321-A323 PolarHBondContact O-N 3Å
322P31Very low36.6Very low133 Ų133130.9 Ų130.986%0.86474%0.738SS**  trans-81.3112.7157.431.6-25.6000109.4K324P322-K324 PolarHBondContact O-N 2.87Å
323A30Very low37.8Very low95 Ų95128.4 Ų128.479%0.78572%0.722SS**  trans-77.6106.5163.400000109.2E321E321-A323 PolarHBondContact O-N 3Å
324K34.6Very low39Very low171 Ų171127.9 Ų127.974%0.74371%0.705SS**  trans36.688.7152.6-62.1-169.5172.2-159.20117.7P322P322-K324 PolarHBondContact O-N 2.87Å
325E33.7Very low40.5Very low173 Ų173125.8 Ų125.881%0.80869%0.688SS**  trans-102.982.2148.5-73.7-179.7168.700107.4
326E35.3Very low42Very low128 Ų128128.3 Ų128.360%0.59869%0.688SS**  trans-99.8-4.6179.2-74.3-177.9163.300113.2
327D41.3Very low43.8Very low137 Ų137128.7 Ų128.773%0.73367%0.672SS**SBendtrans-96.9-16.8-169-67.7-29.3000115.5
328D43.6Very low45.2Very low133 Ų133123.2 Ų123.271%0.71165%0.646SS**THydrogen-bonded Turntrans-92.4-13.4-177-83.3-18.2000114.1
329Y45.1Very low47.1Very low174 Ų174121.5 Ų121.568%0.68263%0.633SS**THydrogen-bonded Turntrans-89.6-17.4179.1-78.4-81.5000114.1Q333Y329-Q333 PolarHBondContact O-NE2 3.43Å
330D51.5Low48.4Very low102 Ų102118.3 Ų118.355%0.54562%0.616SS.*THydrogen-bonded Turntrans-81.1-31.5179.7-94.6-4.6000112.5M332 Q333D330-M332 VanDerWaalsContact C-N 3.27Å; D330-M332 PolarHBondContact O-N 2.94Å; D330-Q333 WeakPolarHBondContact O-CB 3.44Å; D330-Q333 PolarHBondContact O-N 2.96Å
331V55Low50.3Low72 Ų72116.8 Ų116.844%0.43660%0.602SS.*G310 helixtrans-68.2-28.3-180-174.20000112Q333V331-Q333 VanDerWaalsContact C-N 3.26Å; V331-Q333 PolarHBondContact O-N 3.03Å
332M53.8Low51.8Low139 Ų139110.9 Ų110.969%0.68558%0.576SS**G310 helixtrans-77-9.8174.8-67.5-166.4178.300113.6D330D330-M332 VanDerWaalsContact C-N 3.27Å; D330-M332 PolarHBondContact O-N 2.94Å
333Q53.8Low53.5Low94 Ų94111 Ų11144%0.43957%0.565SS.*G310 helixtrans-95.9-9.8179.5-65.4175.950.700112.8Y329 D330 V331 P335Y329-Q333 PolarHBondContact O-NE2 3.43Å; D330-Q333 WeakPolarHBondContact O-CB 3.44Å; D330-Q333 PolarHBondContact O-N 2.96Å; V331-Q333 VanDerWaalsContact C-N 3.26Å; V331-Q333 PolarHBondContact O-N 3.03Å; Q333-P335 VanDerWaalsContact O-CD 3.31Å; Q333-P335 WeakPolarHBondContact O-CD 3.35Å
334D62.3Low55.4Low95 Ų95112.9 Ų112.951%0.50856%0.562SS.*  trans-70.9115.2-177.5-92.5-25.7000111.5E336 F337 L338D334-E336 PolarHBondContact O-N 3.26Å; D334-F337 HydrophobicContact CB-CB 3.99Å; D334-F337 PolarHBondContact O-N 3.34Å; D334-L338 PolarHBondContact O-N 2.96Å
335P59.5Low56.7Low70 Ų70109.4 Ų109.446%0.45555%0.551SS.*Hα-helixtrans-67.4-27.2-173.627-34.2000112.4Q333 Q339 M359Q333-P335 VanDerWaalsContact O-CD 3.31Å; Q333-P335 WeakPolarHBondContact O-CD 3.35Å; P335-Q339 WeakPolarHBondContact O-CB 3.48Å; P335-Q339 PolarHBondContact O-N 3.07Å; P335-M359 HydrophobicContact CB-CE 4.21Å
336E61.3Low57.5Low164 Ų164107.6 Ų107.677%0.76655%0.554SS**Hα-helixtrans-75.4-34.8177.5-62.1-166.2160.300112.1D334 Q339 S340D334-E336 PolarHBondContact O-N 3.26Å; E336-Q339 PolarHBondContact O-N 3.36Å; E336-S340 PolarHBondContact O-N 2.88Å; E336-S340 VanDerWaalsContact O-N 3.12Å
337F66.4Low58.6Low104 Ų104105.3 Ų105.346%0.45657%0.565SS.*Hα-helixtrans-69.7-45.7179-176.9-108.1000111.2D334 Q339 S340 V341D334-F337 HydrophobicContact CB-CB 3.99Å; D334-F337 PolarHBondContact O-N 3.34Å; F337-Q339 VanDerWaalsContact C-N 3.26Å; F337-Q339 PolarHBondContact O-N 2.89Å; F337-S340 PolarHBondContact O-N 3.46Å; F337-S340 VanDerWaalsContact O-N 3.15Å; F337-S340 PolarHBondContact O-OG 2.95Å; F337-V341 HydrophobicContact CE1-CG2 4.14Å; F337-V341 HydrophobicContact CE2-CG2 4.47Å; F337-V341 HydrophobicContact CZ-CG2 4.12Å; F337-V341 WeakPolarHBondContact O-CG2 3.47Å; F337-V341 PolarHBondContact O-N 3.12Å; F337-V341 VanDerWaalsContact O-N 3.08Å
338L65.6Low59.8Low61 Ų61101.4 Ų101.432%0.31955%0.546SS..Hα-helixtrans-61.8-34.7175.5-69.5175.5000112.5D334 V341 L342 L362D334-L338 PolarHBondContact O-N 2.96Å; L338-V341 PolarHBondContact O-N 3Å; L338-L342 WeakPolarHBondContact O-CB 3.33Å; L338-L342 WeakPolarHBondContact O-CD1 3.33Å; L338-L342 PolarHBondContact O-N 3.38Å; L338-L362 HydrophobicContact CD1-CD2 4.28Å
339Q64.1Low60.6Low108 Ų108100.9 Ų100.951%0.50554%0.543SS..Hα-helixtrans-66.2-40.5175.8-166.2167.33.800111.8P335 E336 F337 V341 L342 E343P335-Q339 WeakPolarHBondContact O-CB 3.48Å; P335-Q339 PolarHBondContact O-N 3.07Å; E336-Q339 PolarHBondContact O-N 3.36Å; F337-Q339 VanDerWaalsContact C-N 3.26Å; F337-Q339 PolarHBondContact O-N 2.89Å; Q339-V341 VanDerWaalsContact C-N 3.34Å; Q339-V341 PolarHBondContact O-N 3.43Å; Q339-L342 PolarHBondContact O-N 3.28Å; Q339-E343 WeakPolarHBondContact O-CG 3.39Å; Q339-E343 PolarHBondContact O-N 3.47Å; Q339-E343 VanDerWaalsContact O-N 3.07Å
340S68.6Low61.4Low49 Ų4996.7 Ų96.734%0.34354%0.537SS..Hα-helixtrans-67.8-31.3176.478.50000113.6E336 F337 N344E336-S340 PolarHBondContact O-N 2.88Å; E336-S340 VanDerWaalsContact O-N 3.12Å; F337-S340 PolarHBondContact O-N 3.46Å; F337-S340 VanDerWaalsContact O-N 3.15Å; F337-S340 PolarHBondContact O-OG 2.95Å; S340-N344 PolarHBondContact O-ND2 2.96Å
341V68.9Low61.9Low63 Ų6398.1 Ų98.138%0.38255%0.545SS..Hα-helixtrans-77.1-39.4176.3175.80000110.7F337 L338 Q339 E343 N344 L345F337-V341 HydrophobicContact CE1-CG2 4.14Å; F337-V341 HydrophobicContact CE2-CG2 4.47Å; F337-V341 HydrophobicContact CZ-CG2 4.12Å; F337-V341 WeakPolarHBondContact O-CG2 3.47Å; F337-V341 PolarHBondContact O-N 3.12Å; F337-V341 VanDerWaalsContact O-N 3.08Å; L338-V341 PolarHBondContact O-N 3Å; Q339-V341 VanDerWaalsContact C-N 3.34Å; Q339-V341 PolarHBondContact O-N 3.43Å; V341-E343 VanDerWaalsContact C-N 3.35Å; V341-E343 PolarHBondContact O-N 3Å; V341-N344 PolarHBondContact O-N 3.44Å; V341-L345 HydrophobicContact CG1-CD1 4.07Å; V341-L345 VanDerWaalsContact O-CD1 3.22Å; V341-L345 WeakPolarHBondContact O-CD1 3.45Å; V341-L345 PolarHBondContact O-N 3.35Å
342L62Low62.7Low63 Ų6398.9 Ų98.933%0.3355%0.546SS..Hα-helixtrans-63.3-36.7175.7-89.3155.5000112.9L338 Q339 N344 V348 I355L338-L342 WeakPolarHBondContact O-CB 3.33Å; L338-L342 WeakPolarHBondContact O-CD1 3.33Å; L338-L342 PolarHBondContact O-N 3.38Å; Q339-L342 PolarHBondContact O-N 3.28Å; L342-N344 VanDerWaalsContact C-N 3.32Å; L342-V348 HydrophobicContact CD2-CB 4.43Å; L342-V348 HydrophobicContact CD2-CG1 3.62Å; L342-I355 HydrophobicContact CD1-CG2 4.12Å; L342-I355 HydrophobicContact CD2-CD1 4.25Å
343E66.6Low63.4Low137 Ų13799.4 Ų99.464%0.6455%0.547SS*.Hα-helixtrans-71.7-25176.9-76.6179.7179.600113.5Q339 V341Q339-E343 WeakPolarHBondContact O-CG 3.39Å; Q339-E343 PolarHBondContact O-N 3.47Å; Q339-E343 VanDerWaalsContact O-N 3.07Å; V341-E343 VanDerWaalsContact C-N 3.35Å; V341-E343 PolarHBondContact O-N 3Å
344N69.6Low63.8Low134 Ų13498.1 Ų98.172%0.71755%0.552SS**Hα-helixtrans-89-6.1-178.6-79-52.2000113.9S340 V341 L342S340-N344 PolarHBondContact O-ND2 2.96Å; V341-N344 PolarHBondContact O-N 3.44Å; L342-N344 VanDerWaalsContact C-N 3.32Å
345L62.1Low64Low98 Ų9895.9 Ų95.951%0.51354%0.54SS..SBendtrans-95.1116.2174.4-92.387.3000111.6V341 G347 V348V341-L345 HydrophobicContact CG1-CD1 4.07Å; V341-L345 VanDerWaalsContact O-CD1 3.22Å; V341-L345 WeakPolarHBondContact O-CD1 3.45Å; V341-L345 PolarHBondContact O-N 3.35Å; L345-G347 PolarHBondContact O-N 3.2Å; L345-V348 HydrophobicContact CB-CG2 4.25Å
346P51.6Low64.4Low134 Ų134100.7 Ų100.787%0.8755%0.549SS*.THydrogen-bonded Turntrans-71.7122179.628.2-32.4000110.8
347G58Low64.9Low80 Ų8098.3 Ų98.383%0.82554%0.541SS*.THydrogen-bonded Turntrans1113.9175.500000115.5L345L345-G347 PolarHBondContact O-N 3.2Å
348V66.4Low64.8Low55 Ų5596 Ų9633%0.33354%0.542SS..  trans-106.1114175.1-169.60000109.6L342 L345 P350 I355L342-V348 HydrophobicContact CD2-CB 4.43Å; L342-V348 HydrophobicContact CD2-CG1 3.62Å; L345-V348 HydrophobicContact CB-CG2 4.25Å; V348-P350 WeakPolarHBondContact O-CD 3.43Å; V348-I355 HydrophobicContact CG1-CD1 3.52Å
349D59.5Low64.9Low122 Ų12297.5 Ų97.565%0.65255%0.548SS*.  trans-78.8117.8178.5-72.5-38.6000110.9N351 N352D349-N351 PolarHBondContact O-N 3.22Å; D349-N352 WeakPolarHBondContact O-CB 3.22Å; D349-N352 PolarHBondContact O-N 3.29Å; D349-N352 VanDerWaalsContact O-N 3.16Å
350P63.1Low65.1Low86 Ų8694.3 Ų94.356%0.55855%0.545SS*.THydrogen-bonded Turntrans-68-8.1-174.524.5-33.3000114.5V348V348-P350 WeakPolarHBondContact O-CD 3.43Å
351N61.3Low65.1Low132 Ų13295 Ų9571%0.70655%0.549SS*.THydrogen-bonded Turntrans-101.78.3178-77.8-31.5000113.9D349 E353D349-N351 PolarHBondContact O-N 3.22Å; N351-E353 PolarHBondContact O-N 2.91Å
352N72.4Confident64.8Low88 Ų8895.7 Ų95.747%0.47155%0.55SS.*  trans-69.6130.3-179.6-161.7-16.6000111.6D349 A354 I355 R356D349-N352 WeakPolarHBondContact O-CB 3.22Å; D349-N352 PolarHBondContact O-N 3.29Å; D349-N352 VanDerWaalsContact O-N 3.16Å; N352-A354 PolarHBondContact O-N 2.85Å; N352-I355 HydrophobicContact CB-CD1 4.27Å; N352-I355 HydrophobicContact CB-CG1 4.46Å; N352-I355 PolarHBondContact O-N 3.05Å; N352-R356 PolarHBondContact O-N 3.18Å
353E67.4Low64.9Low151 Ų15195.5 Ų95.571%0.70656%0.558SS**Hα-helixtrans-60.8-29.2-172.9-163.5173.7177.300112.6N351 N357N351-E353 PolarHBondContact O-N 2.91Å; E353-N357 WeakPolarHBondContact O-CB 3.48Å; E353-N357 PolarHBondContact O-N 2.9Å
354A63.9Low64.5Low66 Ų6692.2 Ų92.255%0.54555%0.55SS.*Hα-helixtrans-65.9-37.9175.500000113.3N352 A358N352-A354 PolarHBondContact O-N 2.85Å; A354-A358 PolarHBondContact O-N 3.26Å
355I66Low64Low48 Ų4891.4 Ų91.425%0.24654%0.542CS..Hα-helixtrans-76.9-36.6-178.7-58.5174.1000110L342 V348 N352 A358 M359L342-I355 HydrophobicContact CD1-CG2 4.12Å; L342-I355 HydrophobicContact CD2-CD1 4.25Å; V348-I355 HydrophobicContact CG1-CD1 3.52Å; N352-I355 HydrophobicContact CB-CD1 4.27Å; N352-I355 HydrophobicContact CB-CG1 4.46Å; N352-I355 PolarHBondContact O-N 3.05Å; I355-A358 PolarHBondContact O-N 3.25Å; I355-M359 WeakPolarHBondContact O-CB 3.36Å; I355-M359 PolarHBondContact O-N 3.12Å
356R67.9Low63.7Low172 Ų17289 Ų8965%0.64954%0.536SS*.Hα-helixtrans-63.3-40.4171.2-90.5-171.8174.9177.21112.9N352 G360N352-R356 PolarHBondContact O-N 3.18Å; R356-G360 PolarHBondContact O-N 3.33Å
357N70.9Confident63.8Low113 Ų11387.7 Ų87.760%0.60453%0.526SS*.Hα-helixtrans-67.1-38.6175.5-81.9-18.4000112.1E353 S361E353-N357 WeakPolarHBondContact O-CB 3.48Å; E353-N357 PolarHBondContact O-N 2.9Å; N357-S361 WeakPolarHBondContact O-CB 3.17Å; N357-S361 PolarHBondContact O-N 3.29Å; N357-S361 PolarHBondContact O-OG 3.19Å
358A65.3Low63.6Low56 Ų5691.9 Ų91.946%0.46352%0.522SS..Hα-helixtrans-65.4-47.6175.800000112.1A354 I355 G360 S361 L362A354-A358 PolarHBondContact O-N 3.26Å; I355-A358 PolarHBondContact O-N 3.25Å; A358-G360 PolarHBondContact O-N 3.49Å; A358-S361 PolarHBondContact O-N 3.11Å; A358-S361 PolarHBondContact O-OG 2.81Å; A358-L362 PolarHBondContact O-N 3.45Å
359M66.3Low62.9Low92 Ų9293.6 Ų93.645%0.45353%0.529SS..Hα-helixtrans-67.3-36.6179-160.7-102.1-129.300112.1P335 I355 L362 A363P335-M359 HydrophobicContact CB-CE 4.21Å; I355-M359 WeakPolarHBondContact O-CB 3.36Å; I355-M359 PolarHBondContact O-N 3.12Å; M359-L362 PolarHBondContact O-N 3.27Å; M359-A363 WeakPolarHBondContact O-CB 3.34Å; M359-A363 PolarHBondContact O-N 3.48Å
360G69.5Low62.3Low42 Ų4290.3 Ų90.343%0.43352%0.524SS..Hα-helixtrans-64.2-37.6172.200000113.6R356 A358 S364R356-G360 PolarHBondContact O-N 3.33Å; A358-G360 PolarHBondContact O-N 3.49Å; G360-S364 WeakPolarHBondContact O-CB 3.46Å; G360-S364 PolarHBondContact O-N 3.35Å
361S69.1Low61.5Low62 Ų6294.6 Ų94.643%0.43453%0.533SS..Hα-helixtrans-68.6-38.617566.90000112.6N357 A358 S364 Q365N357-S361 WeakPolarHBondContact O-CB 3.17Å; N357-S361 PolarHBondContact O-N 3.29Å; N357-S361 PolarHBondContact O-OG 3.19Å; A358-S361 PolarHBondContact O-N 3.11Å; A358-S361 PolarHBondContact O-OG 2.81Å; S361-S364 PolarHBondContact O-N 2.87Å; S361-S364 PolarHBondContact O-OG 3.04Å; S361-Q365 PolarHBondContact O-N 3.29Å
362L61.3Low60.6Low78 Ų7896 Ų9641%0.40853%0.533SS..Hα-helixtrans-69.2-43.2179.5-152.574.7000112L338 A358 M359 S364 Q365 A366L338-L362 HydrophobicContact CD1-CD2 4.28Å; A358-L362 PolarHBondContact O-N 3.45Å; M359-L362 PolarHBondContact O-N 3.27Å; L362-S364 VanDerWaalsContact C-N 3.27Å; L362-S364 PolarHBondContact O-N 2.95Å; L362-Q365 WeakPolarHBondContact O-CB 3.49Å; L362-Q365 PolarHBondContact O-N 3.42Å; L362-A366 PolarHBondContact O-N 3.06Å; L362-A366 VanDerWaalsContact O-N 3.1Å
363A63.8Low59.3Low59 Ų5997.3 Ų97.349%0.48854%0.54SS..Hα-helixtrans-63.3-32.117500000112.9M359 Q365 T367M359-A363 WeakPolarHBondContact O-CB 3.34Å; M359-A363 PolarHBondContact O-N 3.48Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; A363-T367 PolarHBondContact O-OG1 3.07Å
364S60Low58.3Low69 Ų6998.5 Ų98.548%0.48354%0.543SS..Hα-helixtrans-73.4-21.9174.979.90000113.6G360 S361 L362 T367G360-S364 WeakPolarHBondContact O-CB 3.46Å; G360-S364 PolarHBondContact O-N 3.35Å; S361-S364 PolarHBondContact O-N 2.87Å; S361-S364 PolarHBondContact O-OG 3.04Å; L362-S364 VanDerWaalsContact C-N 3.27Å; L362-S364 PolarHBondContact O-N 2.95Å; S364-T367 PolarHBondContact O-OG1 3.06Å
365Q57.2Low57.5Low116 Ų116104 Ų10454%0.54256%0.555SS.*Hα-helixtrans-82.3-42.7178.1-157.8164.6-5.900110.4S361 L362 A363 T367 K368 D369S361-Q365 PolarHBondContact O-N 3.29Å; L362-Q365 WeakPolarHBondContact O-CB 3.49Å; L362-Q365 PolarHBondContact O-N 3.42Å; A363-Q365 VanDerWaalsContact C-N 3.3Å; Q365-T367 PolarHBondContact O-N 2.98Å; Q365-K368 PolarHBondContact O-N 3.44Å; Q365-D369 PolarHBondContact O-N 3.5Å
366A56.2Low56.6Low48 Ų48109.6 Ų109.640%0.39758%0.58SS.*Hα-helixtrans-57.5-32.1174.700000113.8L362L362-A366 PolarHBondContact O-N 3.06Å; L362-A366 VanDerWaalsContact O-N 3.1Å
367T54.3Low55.6Low107 Ų107109.9 Ų109.966%0.65659%0.588SS**Hα-helixtrans-79.4-16.1177.949.20000114.5A363 S364 Q365A363-T367 PolarHBondContact O-OG1 3.07Å; S364-T367 PolarHBondContact O-OG1 3.06Å; Q365-T367 PolarHBondContact O-N 2.98Å
368K53.3Low54.6Low168 Ų168111.9 Ų111.973%0.7360%0.599SS**Hα-helixtrans-86.9-36.4177.2-96.1179.7179170.70112.7Q365Q365-K368 PolarHBondContact O-N 3.44Å
369D51.6Low53.8Low91 Ų91118.4 Ų118.449%0.48762%0.617SS.*Hα-helixtrans-75.2-38.2-176.8-71.3-44.3000112.1Q365 K371 K372Q365-D369 PolarHBondContact O-N 3.5Å; D369-K371 PolarHBondContact O-N 3.15Å; D369-K372 PolarHBondContact O-N 3.05Å
370G47.7Very low52.6Low52 Ų52127.1 Ų127.154%0.53665%0.653SS.*THydrogen-bonded Turntrans-64-7.3175.900000116.4
371K45Very low51.8Low176 Ų176131.4 Ų131.477%0.76566%0.663SS**THydrogen-bonded Turntrans-95.9-13.2176.2-153.6172.7-173.3172.90113.3D369D369-K371 PolarHBondContact O-N 3.15Å
372K43.5Very low50.9Low162 Ų162135 Ų13570%0.70468%0.676SS**THydrogen-bonded Turntrans-84.6-41178-111.6179.8175.2-177.90111.8D369 K374 K375D369-K372 PolarHBondContact O-N 3.05Å; K372-K374 VanDerWaalsContact C-N 3.33Å; K372-K374 PolarHBondContact O-N 3.31Å; K372-K375 PolarHBondContact O-N 3.04Å
373D45.9Very low50.3Low116 Ų116138.2 Ų138.262%0.6269%0.69SS**G310 helixtrans-70.8-27-175.1-62-37.6000113.6K375D373-K375 PolarHBondContact O-N 3.16Å; D373-K375 VanDerWaalsContact O-N 3.12Å
374K46Very low49.5Very low175 Ų175142.8 Ų142.876%0.76170%0.702SS**G310 helixtrans-70.4-5.4177-111.8178.7-177.11710115.3K372K372-K374 VanDerWaalsContact C-N 3.33Å; K372-K374 PolarHBondContact O-N 3.31Å
375K47.5Very low48.8Very low183 Ų183147.4 Ų147.480%0.79672%0.716SS**G310 helixtrans-101.8-12.2-178.1-121.5-177.6-177.6-177.40114.2K372 D373K372-K375 PolarHBondContact O-N 3.04Å; D373-K375 PolarHBondContact O-N 3.16Å; D373-K375 VanDerWaalsContact O-N 3.12Å
376E46.8Very low48.3Very low164 Ų164149.5 Ų149.577%0.76673%0.728SS**THydrogen-bonded Turntrans-96.2-19.8-179.2-74.3-164155.600114.2D378E376-D378 PolarHBondContact O-N 3.18Å
377E47.2Very low47.7Very low178 Ų178156.8 Ų156.883%0.83275%0.751SS**THydrogen-bonded Turntrans-75.2-17.4176.9-88-168.6142.100114.9K379E377-K379 VanDerWaalsContact C-N 3.34Å; E377-K379 PolarHBondContact O-N 3.48Å
378D49.1Very low47.2Very low156 Ų156160.6 Ų160.683%0.83476%0.759SS**THydrogen-bonded Turntrans-89.68.7-177.7-102.7-23.1000114.2E376E376-D378 PolarHBondContact O-N 3.18Å
379K48.7Very low46.7Very low192 Ų192160 Ų16084%0.83576%0.761SS**  trans-137.371.5174.7-88.1-172.4175.1179.40111.9E377E377-K379 VanDerWaalsContact C-N 3.34Å; E377-K379 PolarHBondContact O-N 3.48Å
380K41.5Very low46.3Very low275 Ų275166.3 Ų166.3100%1.19679%0.786SS**  trans-146.50155.5-132.4175.4-174.9175.40112.2

Retrieved 380 of 380 residues in 2062.9 ms (Link to these results)

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