A0A096M795_POEFO Loading...

26S proteasome non-ATPase regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A096M795, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1M57.7Low83.4Confident202 Ų20228.8 Ų28.8100%0.99515%0.15SC*.  0149.70-69.6162.4172.800108.2N44M1-N44 WeakPolarHBondContact CB-OD1 3.19Å
2V74.7Confident83.4Confident59 Ų5927.3 Ų27.336%0.35814%0.142SC..  trans-103.1132.3-168.9-175.90000109.7N44 K106V2-N44 PolarHBondContact O-ND2 2.83Å; V2-K106 HydrophobicContact CG1-CD 3.65Å; V2-K106 HydrophobicContact CG1-CG 4Å
3L82.2Confident83.3Confident49 Ų4925.2 Ų25.226%0.25713%0.132SC..  trans-71.8129.3173.7-62.1170.7000110.6E46 H105 K106L3-E46 HydrophobicContact CD2-CB 3.68Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.47Å; L3-H105 VanDerWaalsContact CB-CD2 3.41Å; L3-H105 WeakPolarHBondContact CB-CD2 3.02Å; L3-H105 WeakPolarHBondContact O-CA 3.22Å; L3-K106 PolarHBondContact O-N 3.12Å
4E83.3Confident83.1Confident2 Ų230.9 Ų30.91%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-134.7146.8-177.951.9173.8151.100111.8T6 K40 N47 N48 K106 R108E4-T6 PolarHBondContact OE2-OG1 2.96Å; E4-K40 WeakPolarHBondContact OE1-CD 3.46Å; E4-K40 IonicContact OE1-NZ 3.11Å; E4-K40 PolarHBondContact OE1-NZ 3.16Å; E4-K40 WeakPolarHBondContact OE2-CD 3.47Å; E4-K40 WeakPolarHBondContact OE2-CE 3.36Å; E4-K40 IonicContact OE2-NZ 3.23Å; E4-K40 PolarHBondContact OE2-NZ 3.08Å; E4-N47 HydrophobicContact CG-CB 4.43Å; E4-N47 WeakPolarHBondContact CG-ND2 3.41Å; E4-N47 VanDerWaalsContact CG-OD1 3.25Å; E4-N47 WeakPolarHBondContact CG-OD1 3.47Å; E4-N47 PolarHBondContact N-OD1 3.45Å; E4-N47 PolarHBondContact O-OD1 3.48Å; E4-N47 PolarHBondContact OE1-ND2 3.18Å; E4-N48 PolarHBondContact O-N 3.43Å; E4-K106 WeakPolarHBondContact CA-O 2.97Å; E4-R108 IonicContact OE2-NE 3.87Å
5S87.6Confident82.7Confident0 Ų036 Ų360%018%0.175CC..EExtended strand (participates in β ladder)trans-114.6109.7170.5-66.40000107.4L97 H105 K106 R108S5-L97 WeakPolarHBondContact O-CD2 3.2Å; S5-H105 WeakPolarHBondContact OG-CB 3.5Å; S5-H105 PolarHBondContact OG-ND1 3.17Å; S5-K106 PolarHBondContact N-O 2.88Å; S5-R108 PolarHBondContact O-N 2.82Å
6T87.9Confident82.3Confident1 Ų134 Ų341%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-102.4120.1-176.4-65.40000109.5E4 V8 N48 V49 G50 R108 I110E4-T6 PolarHBondContact OE2-OG1 2.96Å; T6-V8 HydrophobicContact CG2-CG2 4.1Å; T6-N48 PolarHBondContact N-O 2.89Å; T6-V49 WeakPolarHBondContact O-CA 3.37Å; T6-G50 PolarHBondContact O-N 3.42Å; T6-R108 CarbonylContact C-O 3.53Å; T6-R108 WeakPolarHBondContact CA-O 3.2Å; T6-I110 HydrophobicContact CG2-CD1 3.51Å; T6-I110 HydrophobicContact CG2-CG1 3.91Å
7M90.8Very high82Confident0 Ų040.8 Ų40.80%019%0.189CC..EExtended strand (participates in β ladder)trans-97.8118.1168.3-70.7-55.9-55.700109.6I52 L64 A96 L97 R108 I109 I110M7-I52 HydrophobicContact CE-CG2 3.42Å; M7-I52 VanDerWaalsContact CE-CG2 3.42Å; M7-L64 HydrophobicContact CG-CD2 4.48Å; M7-L64 HydrophobicContact SD-CD2 3.51Å; M7-L64 VanDerWaalsContact SD-CD2 3.51Å; M7-L64 HydrophobicContact SD-CG 3.98Å; M7-A96 HydrophobicContact CE-CB 3.86Å; M7-A96 HydrophobicContact SD-CB 4.12Å; M7-L97 HydrophobicContact CG-CD1 4.24Å; M7-L97 HydrophobicContact CG-CD2 3.58Å; M7-L97 HydrophobicContact CG-CG 3.57Å; M7-R108 PolarHBondContact N-O 3.08Å; M7-I109 CarbonylContact O-C 3.56Å; M7-I109 WeakPolarHBondContact O-CA 2.95Å; M7-I110 PolarHBondContact O-N 2.7Å
8V90.9Very high81.6Confident0 Ų042.9 Ų42.90%020%0.202CC..EExtended strand (participates in β ladder)trans-94.7122.7176.4-178.30000109.4T6 V10 V33 V49 G50 L51 I52 I110 F112T6-V8 HydrophobicContact CG2-CG2 4.1Å; V8-V10 HydrophobicContact CG1-CG2 4.16Å; V8-V33 HydrophobicContact CG1-CG1 4.06Å; V8-V33 HydrophobicContact CG1-CG2 3.8Å; V8-V49 HydrophobicContact CG2-CG1 3.85Å; V8-G50 PolarHBondContact N-O 3.3Å; V8-L51 HydrophobicContact CG1-CD1 4.46Å; V8-I52 PolarHBondContact O-N 3.01Å; V8-I110 CarbonylContact C-O 3.59Å; V8-I110 WeakPolarHBondContact CA-O 3.16Å; V8-F112 HydrophobicContact CG1-CD2 4Å; V8-F112 HydrophobicContact CG1-CE2 3.72Å
9C88.8Confident80.9Confident2 Ų244.1 Ų44.11%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-104.8113.2178.1-38.90000108.8I52 M54 I109 I110 A111 F112C9-I52 WeakPolarHBondContact CA-O 3.43Å; C9-I52 HydrophobicContact CB-CD1 3.98Å; C9-I52 HydrophobicContact CB-CG1 3.69Å; C9-I52 WeakPolarHBondContact SG-CD1 3.43Å; C9-M54 HydrophobicContact CB-CE 3.88Å; C9-M54 HydrophobicContact CB-CG 3.9Å; C9-M54 HydrophobicContact CB-SD 3.7Å; C9-I109 VanDerWaalsContact SG-CG2 3.55Å; C9-I110 PolarHBondContact N-O 3.1Å; C9-A111 HydrophobicContact CB-CB 4.23Å; C9-F112 WeakPolarHBondContact O-CB 3.34Å; C9-F112 PolarHBondContact O-N 3.25Å
10V87.8Confident80.6Confident2 Ų244.8 Ų44.81%0.01223%0.23CC..EExtended strand (participates in β ladder)trans-98125179.2177.80000108.5V8 N12 Q29 V33 L51 I52 T53 M54V8-V10 HydrophobicContact CG1-CG2 4.16Å; V10-N12 WeakPolarHBondContact CG1-OD1 3.48Å; V10-Q29 HydrophobicContact CG1-CG 4.39Å; V10-V33 HydrophobicContact CG2-CG2 3.9Å; V10-L51 HydrophobicContact CB-CD1 4.45Å; V10-L51 HydrophobicContact CG2-CD1 3.48Å; V10-L51 VanDerWaalsContact CG2-CD1 3.48Å; V10-I52 PolarHBondContact N-O 3.44Å; V10-T53 WeakPolarHBondContact O-CA 3.4Å; V10-M54 PolarHBondContact O-N 2.95Å
11D85.9Confident80.1Confident0 Ų042.7 Ų42.70%022%0.219CC..  trans-79.4130.3168.6-179.718.9000110.2S13 M16 Q29 M54 I84 F112 G114 S115D11-S13 VanDerWaalsContact CG-OG 3.3Å; D11-S13 WeakPolarHBondContact OD1-CB 3.44Å; D11-S13 PolarHBondContact OD1-N 3.35Å; D11-S13 PolarHBondContact OD1-OG 2.94Å; D11-S13 PolarHBondContact OD2-OG 2.97Å; D11-M16 HydrophobicContact CB-CE 3.65Å; D11-M16 WeakPolarHBondContact O-CE 3.29Å; D11-Q29 PolarHBondContact O-NE2 2.69Å; D11-Q29 PolarHBondContact O-OE1 3.13Å; D11-M54 HydrophobicContact CB-CE 4.26Å; D11-I84 HydrophobicContact CB-CD1 4.18Å; D11-F112 VanDerWaalsContact CB-O 3.25Å; D11-F112 WeakPolarHBondContact CB-O 3.48Å; D11-G114 PolarHBondContact OD2-N 3.47Å; D11-S115 PolarHBondContact OD2-OG 2.93Å
12N83.7Confident80.4Confident10 Ų1039.3 Ų39.35%0.05321%0.205CC..  trans-115.425175.8-59-18.9000111.6V10 T53 A55 V78 P80 R81V10-N12 WeakPolarHBondContact CG1-OD1 3.48Å; N12-T53 PolarHBondContact ND2-OG1 2.62Å; N12-A55 HydrophobicContact CB-CB 3.91Å; N12-V78 HydrophobicContact CB-CG1 4.17Å; N12-V78 WeakPolarHBondContact ND2-CG1 3.43Å; N12-V78 WeakPolarHBondContact OD1-CG1 3.05Å; N12-P80 CarbonylContact O-C 3.58Å; N12-P80 WeakPolarHBondContact O-CA 3.33Å; N12-R81 CarbonylContact O-C 3.44Å; N12-R81 PolarHBondContact O-N 3.32Å
13S81.9Confident80.3Confident1 Ų140.9 Ų40.91%0.00722%0.216CC..  trans-55.9159.9178.860.50000112.7D11 Y15 M16 G82 S115D11-S13 VanDerWaalsContact CG-OG 3.3Å; D11-S13 WeakPolarHBondContact OD1-CB 3.44Å; D11-S13 PolarHBondContact OD1-N 3.35Å; D11-S13 PolarHBondContact OD1-OG 2.94Å; D11-S13 PolarHBondContact OD2-OG 2.97Å; S13-Y15 PolarHBondContact O-N 3.36Å; S13-Y15 VanDerWaalsContact O-N 3.17Å; S13-M16 VanDerWaalsContact O-CB 3.3Å; S13-M16 WeakPolarHBondContact O-CB 3.3Å; S13-M16 PolarHBondContact O-N 2.77Å; S13-G82 WeakPolarHBondContact CA-O 3.41Å; S13-S115 WeakPolarHBondContact CB-OG 2.9Å; S13-S115 WeakPolarHBondContact OG-CB 3.45Å; S13-S115 PolarHBondContact OG-OG 3.05Å
14E80.4Confident80.1Confident104 Ų10441.3 Ų41.349%0.48622%0.221SC..G310 helixtrans-60.6-25.4177.2-64.8-175.6171.300112.9M16 R17 G82E14-M16 PolarHBondContact O-N 3.35Å; E14-R17 WeakPolarHBondContact O-CB 3.45Å; E14-R17 PolarHBondContact O-N 3.5Å; E14-R17 VanDerWaalsContact O-N 3.14Å; E14-G82 PolarHBondContact N-O 3.47Å; E14-G82 VanDerWaalsContact N-O 3.16Å
15Y76.8Confident80Confident108 Ų10841.6 Ų41.642%0.42422%0.222SC..G310 helixtrans-64.8-15.6173.5-65.4-90000113.6S13 R17 N18 R25 P116S13-Y15 PolarHBondContact O-N 3.36Å; S13-Y15 VanDerWaalsContact O-N 3.17Å; Y15-R17 PolarHBondContact O-N 3.21Å; Y15-N18 WeakPolarHBondContact O-CB 3.36Å; Y15-N18 PolarHBondContact O-N 2.8Å; Y15-N18 PolarHBondContact O-ND2 3.25Å; Y15-R25 WeakPolarHBondContact O-CD 3.5Å; Y15-R25 PolarHBondContact O-NH1 3.48Å; Y15-P116 HydrophobicContact CE2-CG 4.38Å
16M77.1Confident79.7Confident4 Ų442.9 Ų42.92%0.0223%0.229CC..G310 helixtrans-75.3-5.7173.8-65.5-62.6-168.500113.7D11 S13 E14 N18 R25 P80D11-M16 HydrophobicContact CB-CE 3.65Å; D11-M16 WeakPolarHBondContact O-CE 3.29Å; S13-M16 VanDerWaalsContact O-CB 3.3Å; S13-M16 WeakPolarHBondContact O-CB 3.3Å; S13-M16 PolarHBondContact O-N 2.77Å; E14-M16 PolarHBondContact O-N 3.35Å; M16-N18 VanDerWaalsContact C-N 3.3Å; M16-R25 VanDerWaalsContact SD-CD 3.54Å; M16-R25 HydrophobicContact SD-CG 3.62Å; M16-P80 HydrophobicContact CB-CB 4.08Å
17R76.8Confident79.5Confident150 Ų15046.8 Ų46.857%0.56625%0.246SC*.G310 helixtrans-80.5-13.4170.1-63.5-175-172.4165.28.7113.2E14 Y15 P80E14-R17 WeakPolarHBondContact O-CB 3.45Å; E14-R17 PolarHBondContact O-N 3.5Å; E14-R17 VanDerWaalsContact O-N 3.14Å; Y15-R17 PolarHBondContact O-N 3.21Å; R17-P80 HydrophobicContact CG-CB 3.94Å; R17-P80 HydrophobicContact CG-CG 3.69Å; R17-P80 PolarHBondContact NE-O 3.01Å; R17-P80 VanDerWaalsContact NE-O 3.14Å; R17-P80 PolarHBondContact NH2-O 3.34Å
18N74.6Confident79.1Confident79 Ų7947.2 Ų47.242%0.42225%0.25SS..  trans-64.7139.9-179-65.7-11.7000109.8Y15 M16 D20 R25Y15-N18 WeakPolarHBondContact O-CB 3.36Å; Y15-N18 PolarHBondContact O-N 2.8Å; Y15-N18 PolarHBondContact O-ND2 3.25Å; M16-N18 VanDerWaalsContact C-N 3.3Å; N18-D20 VanDerWaalsContact C-N 3.29Å; N18-R25 WeakPolarHBondContact O-CB 3.46Å
19G68.8Low78.8Confident64 Ų6447.5 Ų47.566%0.6625%0.252SS*.  trans-94.730.6178.400000112.7F21G19-F21 PolarHBondContact O-N 3.06Å
20D75Confident78.6Confident58 Ų5848.2 Ų48.231%0.3126%0.255SS..SBendtrans-67.5-22.2176.459.9-27.2000112.2N18 R25N18-D20 VanDerWaalsContact C-N 3.29Å; D20-R25 IonicContact OD1-CZ 3.6Å; D20-R25 IonicContact OD1-NE 3.82Å; D20-R25 PolarHBondContact OD1-NE 3.45Å; D20-R25 IonicContact OD1-NH2 3.87Å; D20-R25 IonicContact OD2-CZ 2.68Å; D20-R25 IonicContact OD2-NE 3.85Å; D20-R25 PolarHBondContact OD2-NE 3.16Å; D20-R25 VanDerWaalsContact OD2-NE 3.08Å; D20-R25 IonicContact OD2-NH2 2.72Å; D20-R25 PolarHBondContact OD2-NH2 3.37Å
21F69.1Low78.5Confident1 Ų152.1 Ų52.10%0.00428%0.276CS..SBendtrans-112.2136.6170.1-58.9-70.9000111.3G19 P23 T24 R25 A28 F143 G176 L179G19-F21 PolarHBondContact O-N 3.06Å; F21-P23 CarbonylContact O-C 3.57Å; F21-T24 CarbonylContact O-C 3.47Å; F21-T24 WeakPolarHBondContact O-CA 3.5Å; F21-T24 PolarHBondContact O-N 3.29Å; F21-R25 HydrophobicContact CD2-CB 4.12Å; F21-R25 HydrophobicContact CD2-CG 3.9Å; F21-A28 HydrophobicContact CB-CB 4.04Å; F21-F143 HydrophobicContact CE2-CB 4.4Å; F21-G176 WeakPolarHBondContact CD1-O 3.3Å; F21-G176 WeakPolarHBondContact CE1-O 3.47Å; F21-L179 HydrophobicContact CB-CD1 4.34Å; F21-L179 HydrophobicContact CB-CG 4.37Å; F21-L179 HydrophobicContact CD1-CD1 3.92Å; F21-L179 HydrophobicContact CD1-CD2 3.39Å; F21-L179 HydrophobicContact CD1-CG 3.32Å; F21-L179 HydrophobicContact CD2-CD1 3.68Å; F21-L179 HydrophobicContact CD2-CD2 4.21Å; F21-L179 HydrophobicContact CD2-CG 4.04Å; F21-L179 HydrophobicContact CE1-CD1 4.19Å; F21-L179 HydrophobicContact CE1-CD2 2.98Å; F21-L179 HydrophobicContact CE1-CG 3.53Å; F21-L179 HydrophobicContact CE2-CD1 3.92Å; F21-L179 HydrophobicContact CE2-CD2 3.84Å; F21-L179 HydrophobicContact CE2-CG 4.18Å; F21-L179 HydrophobicContact CG-CD1 3.67Å; F21-L179 HydrophobicContact CG-CD2 4.01Å; F21-L179 HydrophobicContact CG-CG 3.62Å; F21-L179 HydrophobicContact CZ-CD1 4.2Å; F21-L179 HydrophobicContact CZ-CD2 3.25Å; F21-L179 HydrophobicContact CZ-CG 3.97Å
22L63.7Low78.4Confident132 Ų13252.1 Ų52.169%0.69128%0.276SS*.SBendtrans-84.5135.3174.8-77.1134.4000109.8P177L22-P177 HydrophobicContact CD1-CB 4.18Å
23P72.1Confident78.6Confident91 Ų9151.7 Ų51.759%0.59127%0.273SS*.SBendcis-83.6-32.8-0.72.414.3000113.5F21 Q27F21-P23 CarbonylContact O-C 3.57Å; P23-Q27 VanDerWaalsContact CB-OE1 3.31Å
24T79.8Confident78.9Confident58 Ų5853.9 Ų53.936%0.35629%0.285SS..  trans-145.1150.1166.753.90000108.7F21 L26 Q27 A28F21-T24 CarbonylContact O-C 3.47Å; F21-T24 WeakPolarHBondContact O-CA 3.5Å; F21-T24 PolarHBondContact O-N 3.29Å; T24-L26 PolarHBondContact O-N 2.98Å; T24-Q27 PolarHBondContact O-N 3.36Å; T24-Q27 VanDerWaalsContact OG1-CB 3.31Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.5Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.41Å; T24-Q27 PolarHBondContact OG1-N 3.19Å; T24-Q27 PolarHBondContact OG1-OE1 3.45Å; T24-Q27 VanDerWaalsContact OG1-OE1 3.05Å; T24-A28 PolarHBondContact O-N 3.49Å
25R80.2Confident79.1Confident8 Ų851.1 Ų51.13%0.0327%0.273CS..Hα-helixtrans-56.7-38.2177.6179-177.8-101.6-142.1-13.5113Y15 M16 N18 D20 F21 A28 Q29 G114 F143Y15-R25 WeakPolarHBondContact O-CD 3.5Å; Y15-R25 PolarHBondContact O-NH1 3.48Å; M16-R25 VanDerWaalsContact SD-CD 3.54Å; M16-R25 HydrophobicContact SD-CG 3.62Å; N18-R25 WeakPolarHBondContact O-CB 3.46Å; D20-R25 IonicContact OD1-CZ 3.6Å; D20-R25 IonicContact OD1-NE 3.82Å; D20-R25 PolarHBondContact OD1-NE 3.45Å; D20-R25 IonicContact OD1-NH2 3.87Å; D20-R25 IonicContact OD2-CZ 2.68Å; D20-R25 IonicContact OD2-NE 3.85Å; D20-R25 PolarHBondContact OD2-NE 3.16Å; D20-R25 VanDerWaalsContact OD2-NE 3.08Å; D20-R25 IonicContact OD2-NH2 2.72Å; D20-R25 PolarHBondContact OD2-NH2 3.37Å; F21-R25 HydrophobicContact CD2-CB 4.12Å; F21-R25 HydrophobicContact CD2-CG 3.9Å; R25-A28 PolarHBondContact O-N 2.99Å; R25-Q29 WeakPolarHBondContact O-CB 3.16Å; R25-Q29 PolarHBondContact O-N 2.95Å; R25-G114 PolarHBondContact NH1-O 3.13Å; R25-F143 PolarHBondContact NH2-O 3.43Å
26L81.6Confident79.5Confident28 Ų2846.1 Ų46.115%0.14725%0.254CS..Hα-helixtrans-59.3-51173.3-175.371.1000111.3T24 A28 Q29 Q30 V78T24-L26 PolarHBondContact O-N 2.98Å; L26-A28 PolarHBondContact O-N 3.22Å; L26-Q29 WeakPolarHBondContact O-CB 3.13Å; L26-Q29 PolarHBondContact O-N 2.93Å; L26-Q29 VanDerWaalsContact O-N 3.15Å; L26-Q30 WeakPolarHBondContact O-CG 3.35Å; L26-Q30 PolarHBondContact O-N 3.19Å; L26-V78 HydrophobicContact CD1-CG1 4.49Å
27Q83.6Confident79.8Confident82 Ų8246.1 Ų46.138%0.38325%0.254SS..Hα-helixtrans-59.6-45.6178.3-76.9169.7-18.800111.9P23 T24 Q29 Q30 D31P23-Q27 VanDerWaalsContact CB-OE1 3.31Å; T24-Q27 PolarHBondContact O-N 3.36Å; T24-Q27 VanDerWaalsContact OG1-CB 3.31Å; T24-Q27 WeakPolarHBondContact OG1-CB 3.5Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.41Å; T24-Q27 PolarHBondContact OG1-N 3.19Å; T24-Q27 PolarHBondContact OG1-OE1 3.45Å; T24-Q27 VanDerWaalsContact OG1-OE1 3.05Å; Q27-Q29 PolarHBondContact O-N 3.36Å; Q27-Q30 WeakPolarHBondContact O-CA 3.34Å; Q27-Q30 WeakPolarHBondContact O-CB 3.47Å; Q27-Q30 PolarHBondContact O-N 3.34Å; Q27-D31 PolarHBondContact O-N 2.89Å
28A82.8Confident80.2Confident10 Ų1043.5 Ų43.58%0.08325%0.248CC..Hα-helixtrans-60.3-3417700000112.1F21 T24 R25 L26 A32 L179F21-A28 HydrophobicContact CB-CB 4.04Å; T24-A28 PolarHBondContact O-N 3.49Å; R25-A28 PolarHBondContact O-N 2.99Å; L26-A28 PolarHBondContact O-N 3.22Å; A28-A32 VanDerWaalsContact O-CB 3.27Å; A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 2.93Å; A28-L179 HydrophobicContact CB-CB 4.4Å; A28-L179 HydrophobicContact CB-CD1 3.77Å; A28-L179 HydrophobicContact CB-CG 4.24Å
29Q83.3Confident80.7Confident6 Ų641.2 Ų41.23%0.02824%0.238CC..Hα-helixtrans-70.3-37.5172-166.8-177.213.400112.4V10 D11 R25 L26 Q27 D31 A32 V33 F112V10-Q29 HydrophobicContact CG1-CG 4.39Å; D11-Q29 PolarHBondContact O-NE2 2.69Å; D11-Q29 PolarHBondContact O-OE1 3.13Å; R25-Q29 WeakPolarHBondContact O-CB 3.16Å; R25-Q29 PolarHBondContact O-N 2.95Å; L26-Q29 WeakPolarHBondContact O-CB 3.13Å; L26-Q29 PolarHBondContact O-N 2.93Å; L26-Q29 VanDerWaalsContact O-N 3.15Å; Q27-Q29 PolarHBondContact O-N 3.36Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; Q29-A32 WeakPolarHBondContact O-CB 3.49Å; Q29-A32 PolarHBondContact O-N 2.82Å; Q29-V33 VanDerWaalsContact O-CG2 3.28Å; Q29-V33 WeakPolarHBondContact O-CG2 3.45Å; Q29-V33 PolarHBondContact O-N 3.06Å; Q29-F112 HydrophobicContact CG-CD1 4.12Å; Q29-F112 HydrophobicContact CG-CG 4.4Å
30Q85.8Confident81.3Confident17 Ų1738.4 Ų38.48%0.07921%0.208CC..Hα-helixtrans-62.6-44.6174.7-40-164.5-53.200110.4L26 Q27 V33 N34 L75 H76L26-Q30 WeakPolarHBondContact O-CG 3.35Å; L26-Q30 PolarHBondContact O-N 3.19Å; Q27-Q30 WeakPolarHBondContact O-CA 3.34Å; Q27-Q30 WeakPolarHBondContact O-CB 3.47Å; Q27-Q30 PolarHBondContact O-N 3.34Å; Q30-V33 PolarHBondContact O-N 2.92Å; Q30-N34 VanDerWaalsContact O-CB 3.3Å; Q30-N34 WeakPolarHBondContact O-CB 3.48Å; Q30-N34 PolarHBondContact O-N 3.05Å; Q30-L75 HydrophobicContact CB-CD2 3.68Å; Q30-L75 HydrophobicContact CG-CD2 3.32Å; Q30-L75 PolarHBondContact NE2-O 3.4Å; Q30-H76 PolarHBondContact OE1-CE1 3.19Å; Q30-H76 VanDerWaalsContact OE1-CE1 3.23Å; Q30-H76 PolarHBondContact OE1-ND1 3.04Å
31D85.9Confident81.7Confident84 Ų8437.7 Ų37.745%0.44921%0.206SC..Hα-helixtrans-64.1-42.9177.9-66-25.7000111.3Q27 Q29 N34 I35Q27-D31 PolarHBondContact O-N 2.89Å; Q29-D31 VanDerWaalsContact C-N 3.34Å; D31-N34 WeakPolarHBondContact O-CB 3.25Å; D31-N34 PolarHBondContact O-N 3Å; D31-I35 WeakPolarHBondContact O-CG1 3.33Å; D31-I35 PolarHBondContact O-N 3.02Å
32A84.2Confident82.4Confident0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-57.6-49.7173.600000112.8A28 Q29 N34 I35 V36 F112 L183A28-A32 VanDerWaalsContact O-CB 3.27Å; A28-A32 WeakPolarHBondContact O-CB 3.43Å; A28-A32 PolarHBondContact O-N 2.93Å; Q29-A32 WeakPolarHBondContact O-CB 3.49Å; Q29-A32 PolarHBondContact O-N 2.82Å; A32-N34 VanDerWaalsContact C-N 3.25Å; A32-N34 PolarHBondContact O-N 2.85Å; A32-I35 PolarHBondContact O-N 3.32Å; A32-V36 WeakPolarHBondContact O-CG2 3.42Å; A32-V36 PolarHBondContact O-N 3.35Å; A32-F112 HydrophobicContact CB-CE1 3.77Å; A32-F112 HydrophobicContact CB-CZ 4.22Å; A32-L183 HydrophobicContact CB-CD1 3.17Å
33V86.4Confident83.3Confident1 Ų144.4 Ų44.41%0.00623%0.229CC..Hα-helixtrans-62-38.9176.2173.20000110.3V8 V10 Q29 Q30 V36 C37 I71 L75 F112V8-V33 HydrophobicContact CG1-CG1 4.06Å; V8-V33 HydrophobicContact CG1-CG2 3.8Å; V10-V33 HydrophobicContact CG2-CG2 3.9Å; Q29-V33 VanDerWaalsContact O-CG2 3.28Å; Q29-V33 WeakPolarHBondContact O-CG2 3.45Å; Q29-V33 PolarHBondContact O-N 3.06Å; Q30-V33 PolarHBondContact O-N 2.92Å; V33-V36 PolarHBondContact O-N 3.32Å; V33-C37 WeakPolarHBondContact O-CB 3.14Å; V33-C37 PolarHBondContact O-N 3.33Å; V33-C37 PolarHBondContact O-SG 3.38Å; V33-I71 HydrophobicContact CG1-CG2 4.5Å; V33-L75 HydrophobicContact CB-CD1 3.78Å; V33-L75 HydrophobicContact CG1-CD1 3.58Å; V33-L75 HydrophobicContact CG2-CD1 4.18Å; V33-F112 HydrophobicContact CG2-CD2 4.35Å; V33-F112 HydrophobicContact CG2-CE2 3.88Å; V33-F112 HydrophobicContact CG2-CZ 4.1Å
34N88Confident83.8Confident46 Ų4640.9 Ų40.925%0.24621%0.205CC..Hα-helixtrans-62.1-44.7178.4-166.122000112.2Q30 D31 A32 C37 H38 L72Q30-N34 VanDerWaalsContact O-CB 3.3Å; Q30-N34 WeakPolarHBondContact O-CB 3.48Å; Q30-N34 PolarHBondContact O-N 3.05Å; D31-N34 WeakPolarHBondContact O-CB 3.25Å; D31-N34 PolarHBondContact O-N 3Å; A32-N34 VanDerWaalsContact C-N 3.25Å; A32-N34 PolarHBondContact O-N 2.85Å; N34-C37 PolarHBondContact O-N 2.97Å; N34-H38 WeakPolarHBondContact O-CB 3.5Å; N34-H38 PolarHBondContact O-N 3.13Å; N34-H38 PolarHBondContact O-ND1 3.3Å; N34-H38 PolarHBondContact OD1-CE1 2.99Å; N34-H38 PolarHBondContact OD1-ND1 3.25Å; N34-L72 HydrophobicContact CB-CD2 4.1Å
35I86.1Confident83.8Confident47 Ų4743.3 Ų43.324%0.24122%0.222CC..Hα-helixtrans-62.5-45.3176.5-69165.1000110.7D31 A32 H38 S39 A180 L184D31-I35 WeakPolarHBondContact O-CG1 3.33Å; D31-I35 PolarHBondContact O-N 3.02Å; A32-I35 PolarHBondContact O-N 3.32Å; I35-H38 PolarHBondContact O-N 2.99Å; I35-S39 WeakPolarHBondContact O-CB 3.39Å; I35-S39 PolarHBondContact O-N 3.33Å; I35-A180 HydrophobicContact CD1-CB 3.58Å; I35-L184 HydrophobicContact CG2-CD2 3.71Å; I35-L184 HydrophobicContact CG2-CG 4.29Å
36V84.6Confident83.9Confident3 Ų348.9 Ų48.92%0.01825%0.248CC..Hα-helixtrans-61.7-47.1178.1171.10000110.7A32 V33 S39 K40 I110A32-V36 WeakPolarHBondContact O-CG2 3.42Å; A32-V36 PolarHBondContact O-N 3.35Å; V33-V36 PolarHBondContact O-N 3.32Å; V36-S39 PolarHBondContact O-N 3.49Å; V36-K40 HydrophobicContact CG1-CG 4.33Å; V36-K40 WeakPolarHBondContact O-CB 3.5Å; V36-K40 WeakPolarHBondContact O-CG 2.98Å; V36-K40 PolarHBondContact O-N 2.99Å; V36-I110 HydrophobicContact CG1-CD1 3.52Å
37C83.9Confident84.1Confident3 Ų347.6 Ų47.62%0.0224%0.241CC..Hα-helixtrans-57.1-51.8176-70.60000111.3V33 N34 S39 K40 T41 T68V33-C37 WeakPolarHBondContact O-CB 3.14Å; V33-C37 PolarHBondContact O-N 3.33Å; V33-C37 PolarHBondContact O-SG 3.38Å; N34-C37 PolarHBondContact O-N 2.97Å; C37-S39 PolarHBondContact O-N 2.88Å; C37-K40 PolarHBondContact O-N 2.87Å; C37-T41 PolarHBondContact O-N 3.16Å; C37-T41 PolarHBondContact O-OG1 3.22Å; C37-T68 HydrophobicContact CB-CG2 4.08Å
38H84.8Confident84.2Confident95 Ų9545.3 Ų45.344%0.4423%0.232SC..Hα-helixtrans-63.3-41.3-179-81.282.7000112.6N34 I35 R42N34-H38 WeakPolarHBondContact O-CB 3.5Å; N34-H38 PolarHBondContact O-N 3.13Å; N34-H38 PolarHBondContact O-ND1 3.3Å; N34-H38 PolarHBondContact OD1-CE1 2.99Å; N34-H38 PolarHBondContact OD1-ND1 3.25Å; I35-H38 PolarHBondContact O-N 2.99Å; H38-R42 VanDerWaalsContact O-CB 3.23Å; H38-R42 WeakPolarHBondContact O-CB 3.36Å; H38-R42 PolarHBondContact O-N 3.46Å
39S84.2Confident84.5Confident32 Ų3245 Ų4522%0.22423%0.229CC..Hα-helixtrans-62.4-45.7176.41770000111.2I35 V36 C37 T41 R42 S43 L189I35-S39 WeakPolarHBondContact O-CB 3.39Å; I35-S39 PolarHBondContact O-N 3.33Å; V36-S39 PolarHBondContact O-N 3.49Å; C37-S39 PolarHBondContact O-N 2.88Å; S39-T41 PolarHBondContact O-N 3.1Å; S39-R42 PolarHBondContact O-N 2.96Å; S39-R42 VanDerWaalsContact O-N 3.16Å; S39-S43 PolarHBondContact O-N 3.35Å; S39-S43 PolarHBondContact O-OG 3.33Å; S39-S43 VanDerWaalsContact O-OG 3.1Å; S39-L189 WeakPolarHBondContact OG-CD2 3.1Å
40K83.1Confident84.8Confident5 Ų544.7 Ų44.72%0.02223%0.227CC..Hα-helixtrans-66.1-39.4-178.8-67.7-72.9171.6-177.20112.3E4 V36 C37 S43 N44 N47 V49 E192E4-K40 WeakPolarHBondContact OE1-CD 3.46Å; E4-K40 IonicContact OE1-NZ 3.11Å; E4-K40 PolarHBondContact OE1-NZ 3.16Å; E4-K40 WeakPolarHBondContact OE2-CD 3.47Å; E4-K40 WeakPolarHBondContact OE2-CE 3.36Å; E4-K40 IonicContact OE2-NZ 3.23Å; E4-K40 PolarHBondContact OE2-NZ 3.08Å; V36-K40 HydrophobicContact CG1-CG 4.33Å; V36-K40 WeakPolarHBondContact O-CB 3.5Å; V36-K40 WeakPolarHBondContact O-CG 2.98Å; V36-K40 PolarHBondContact O-N 2.99Å; C37-K40 PolarHBondContact O-N 2.87Å; K40-S43 PolarHBondContact O-N 3.23Å; K40-N44 PolarHBondContact O-N 3.3Å; K40-N47 WeakPolarHBondContact O-CB 3.49Å; K40-N47 PolarHBondContact O-ND2 3.32Å; K40-V49 HydrophobicContact CB-CG2 4.42Å; K40-E192 IonicContact NZ-OE2 2.84Å; K40-E192 PolarHBondContact NZ-OE2 3.14Å
41T82.3Confident85Confident43 Ų4344 Ų4426%0.26422%0.224SC..Hα-helixtrans-68-34.3173-54.40000112.1C37 S39 N44C37-T41 PolarHBondContact O-N 3.16Å; C37-T41 PolarHBondContact O-OG1 3.22Å; S39-T41 PolarHBondContact O-N 3.1Å; T41-N44 CarbonylContact C-O 3.58Å; T41-N44 CarbonylContact O-C 3.47Å
42R84.4Confident85.2Confident229 Ų22940 Ų4086%0.86420%0.203SC*.Hα-helixtrans-71.3-34.4176-165.1179.4-156.7-176.15.6112.2H38 S39H38-R42 VanDerWaalsContact O-CB 3.23Å; H38-R42 WeakPolarHBondContact O-CB 3.36Å; H38-R42 PolarHBondContact O-N 3.46Å; S39-R42 PolarHBondContact O-N 2.96Å; S39-R42 VanDerWaalsContact O-N 3.16Å
43S82.7Confident85.4Confident44 Ų4440.5 Ų40.531%0.30821%0.206SC..Hα-helixtrans-66.4-43175.7-64.10000112S39 K40S39-S43 PolarHBondContact O-N 3.35Å; S39-S43 PolarHBondContact O-OG 3.33Å; S39-S43 VanDerWaalsContact O-OG 3.1Å; K40-S43 PolarHBondContact O-N 3.23Å
44N82.1Confident85.2Confident18 Ų1840.5 Ų40.510%0.09621%0.206CC..  trans-148136.4166.7-51.9-93.7000110.5M1 V2 K40 T41 E46 N47M1-N44 WeakPolarHBondContact CB-OD1 3.19Å; V2-N44 PolarHBondContact O-ND2 2.83Å; K40-N44 PolarHBondContact O-N 3.3Å; T41-N44 CarbonylContact C-O 3.58Å; T41-N44 CarbonylContact O-C 3.47Å; N44-E46 PolarHBondContact O-N 3.01Å; N44-N47 HydrophobicContact CB-CB 4.45Å; N44-N47 PolarHBondContact ND2-ND2 2.96Å; N44-N47 PolarHBondContact ND2-OD1 3.06Å; N44-N47 WeakPolarHBondContact O-CB 3.49Å; N44-N47 PolarHBondContact O-N 3.45Å; N44-N47 VanDerWaalsContact O-N 3.16Å
45P79.9Confident84.7Confident109 Ų10939 Ų3971%0.70820%0.199SC*.THydrogen-bonded Turntrans-67.7-21.1176.927.6-34.6000113.3N47P45-N47 VanDerWaalsContact C-N 3.34Å
46E82.3Confident83.8Confident124 Ų12441.3 Ų41.358%0.57921%0.213SC*.THydrogen-bonded Turntrans-87.5-1.5177.1-63-171.116400113.7L3 N44 N48L3-E46 HydrophobicContact CD2-CB 3.68Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.47Å; N44-E46 PolarHBondContact O-N 3.01Å; E46-N48 PolarHBondContact O-N 3.36Å; E46-N48 PolarHBondContact O-ND2 3.48Å; E46-N48 VanDerWaalsContact O-ND2 3.08Å
47N85.6Confident83.1Confident1 Ų147.1 Ų47.11%0.00524%0.243CC..  trans-66.8133.6176.4-81.1-9.7000110.1E4 K40 N44 P45E4-N47 HydrophobicContact CG-CB 4.43Å; E4-N47 WeakPolarHBondContact CG-ND2 3.41Å; E4-N47 VanDerWaalsContact CG-OD1 3.25Å; E4-N47 WeakPolarHBondContact CG-OD1 3.47Å; E4-N47 PolarHBondContact N-OD1 3.45Å; E4-N47 PolarHBondContact O-OD1 3.48Å; E4-N47 PolarHBondContact OE1-ND2 3.18Å; K40-N47 WeakPolarHBondContact O-CB 3.49Å; K40-N47 PolarHBondContact O-ND2 3.32Å; N44-N47 HydrophobicContact CB-CB 4.45Å; N44-N47 PolarHBondContact ND2-ND2 2.96Å; N44-N47 PolarHBondContact ND2-OD1 3.06Å; N44-N47 WeakPolarHBondContact O-CB 3.49Å; N44-N47 PolarHBondContact O-N 3.45Å; N44-N47 VanDerWaalsContact O-N 3.16Å; P45-N47 VanDerWaalsContact C-N 3.34Å
48N86.6Confident82.7Confident34 Ų3447.9 Ų47.918%0.18225%0.249CC..EExtended strand (participates in β ladder)trans-106.6134.4179.7-67.8-79.9000109.8E4 T6 E46 L64 H105E4-N48 PolarHBondContact O-N 3.43Å; T6-N48 PolarHBondContact N-O 2.89Å; E46-N48 PolarHBondContact O-N 3.36Å; E46-N48 PolarHBondContact O-ND2 3.48Å; E46-N48 VanDerWaalsContact O-ND2 3.08Å; N48-L64 HydrophobicContact CB-CB 4.07Å; N48-L64 HydrophobicContact CB-CD2 4.16Å; N48-H105 PolarHBondContact ND2-CE1 2.67Å
49V88.4Confident82.5Confident4 Ų449 Ų492%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-116.6134.4175.7-171.30000109.4T6 V8 K40 T65 I71T6-V49 WeakPolarHBondContact O-CA 3.37Å; V8-V49 HydrophobicContact CG2-CG1 3.85Å; K40-V49 HydrophobicContact CB-CG2 4.42Å; V49-T65 PolarHBondContact N-O 3.36Å; V49-T65 PolarHBondContact O-N 3Å; V49-I71 HydrophobicContact CB-CD1 3.85Å; V49-I71 HydrophobicContact CG1-CD1 3.94Å
50G89.9Confident82.5Confident0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-118.4155.9172.900000111.2T6 V8T6-G50 PolarHBondContact O-N 3.42Å; V8-G50 PolarHBondContact N-O 3.3Å
51L89.9Confident82.6Confident2 Ų252.7 Ų52.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-122.8123.7-179.4-174.172.7000110.1V8 V10 L61 T62 I71 K74 L75V8-L51 HydrophobicContact CG1-CD1 4.46Å; V10-L51 HydrophobicContact CB-CD1 4.45Å; V10-L51 HydrophobicContact CG2-CD1 3.48Å; V10-L51 VanDerWaalsContact CG2-CD1 3.48Å; L51-L61 HydrophobicContact CD2-CB 4.1Å; L51-L61 HydrophobicContact CD2-CD1 3.84Å; L51-L61 HydrophobicContact CG-CB 4.4Å; L51-L61 HydrophobicContact CG-CD1 4.21Å; L51-L61 PolarHBondContact O-N 2.81Å; L51-L61 VanDerWaalsContact O-N 3.14Å; L51-T62 PolarHBondContact N-O 3.02Å; L51-T62 PolarHBondContact O-N 3.42Å; L51-I71 HydrophobicContact CB-CG2 4.19Å; L51-I71 HydrophobicContact CD1-CG2 4.33Å; L51-I71 HydrophobicContact CD2-CG2 4.12Å; L51-I71 HydrophobicContact CG-CG2 4.45Å; L51-K74 HydrophobicContact CD2-CB 4.41Å; L51-L75 HydrophobicContact CD1-CD1 4.27Å; L51-L75 HydrophobicContact CD2-CB 4.28Å; L51-L75 HydrophobicContact CD2-CG 4.29Å
52I90.4Very high82.9Confident0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-124.3151.3171.270.9176.1000110.5M7 V8 C9 V10 V60 A93M7-I52 HydrophobicContact CE-CG2 3.42Å; M7-I52 VanDerWaalsContact CE-CG2 3.42Å; V8-I52 PolarHBondContact O-N 3.01Å; C9-I52 WeakPolarHBondContact CA-O 3.43Å; C9-I52 HydrophobicContact CB-CD1 3.98Å; C9-I52 HydrophobicContact CB-CG1 3.69Å; C9-I52 WeakPolarHBondContact SG-CD1 3.43Å; V10-I52 PolarHBondContact N-O 3.44Å; I52-V60 HydrophobicContact CG2-CB 4.46Å; I52-V60 HydrophobicContact CG2-CG1 4.35Å; I52-V60 HydrophobicContact CG2-CG2 4.06Å; I52-A93 HydrophobicContact CD1-CB 3.6Å
53T88Confident83Confident10 Ų1044.7 Ų44.76%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-101.9146.2169.6178.90000110.8V10 N12 A55 C58 E59 L61V10-T53 WeakPolarHBondContact O-CA 3.4Å; N12-T53 PolarHBondContact ND2-OG1 2.62Å; T53-A55 PolarHBondContact OG1-N 2.92Å; T53-C58 VanDerWaalsContact O-CA 3.3Å; T53-C58 WeakPolarHBondContact O-CA 3.4Å; T53-E59 HydrophobicContact CG2-CB 3.96Å; T53-E59 WeakPolarHBondContact CG2-O 3.46Å; T53-E59 PolarHBondContact N-O 3.45Å; T53-E59 VanDerWaalsContact N-O 3.08Å; T53-L61 HydrophobicContact CG2-CD1 4.42Å
54M82.1Confident83.2Confident1 Ų144.2 Ų44.21%0.00524%0.244CC..  trans-103.49.2177.3-62.5-165.7-72.400114.4C9 V10 D11 I84 S85 F86 A111 F112 V113C9-M54 HydrophobicContact CB-CE 3.88Å; C9-M54 HydrophobicContact CB-CG 3.9Å; C9-M54 HydrophobicContact CB-SD 3.7Å; V10-M54 PolarHBondContact O-N 2.95Å; D11-M54 HydrophobicContact CB-CE 4.26Å; M54-I84 HydrophobicContact CB-CG1 4.16Å; M54-I84 HydrophobicContact CE-CD1 4.08Å; M54-S85 PolarHBondContact O-N 3.32Å; M54-S85 VanDerWaalsContact O-N 3.16Å; M54-F86 HydrophobicContact SD-CD2 4.13Å; M54-A111 HydrophobicContact CE-CB 4.4Å; M54-F112 WeakPolarHBondContact CE-O 3.49Å; M54-V113 HydrophobicContact CE-CG2 4.4Å
55A77.1Confident83.4Confident14 Ų1443.9 Ų43.912%0.11624%0.242CC..BIsolated β-bridgetrans-83.3126.9-17800000112.7N12 T53 N57N12-A55 HydrophobicContact CB-CB 3.91Å; T53-A55 PolarHBondContact OG1-N 2.92Å; A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 CarbonylContact O-C 3.43Å; A55-N57 PolarHBondContact O-N 3.04Å
56N68.1Low83.6Confident97 Ų9741.6 Ų41.652%0.51923%0.228SC..SBendtrans45.3-72.8175.7-68.5-17.9000115.5G82 N83N56-G82 WeakPolarHBondContact ND2-CA 3.2Å; N56-N83 PolarHBondContact N-O 3.38Å; N56-N83 PolarHBondContact OD1-N 2.92Å; N56-N83 PolarHBondContact OD1-O 3.48Å
57N70.3Confident83.8Confident124 Ų12440 Ų4066%0.66322%0.223SC*.SBendtrans-106.5111.6168-73.2-11.2000109.1A55 E59A55-N57 VanDerWaalsContact C-N 3.26Å; A55-N57 CarbonylContact O-C 3.43Å; A55-N57 PolarHBondContact O-N 3.04Å; N57-E59 PolarHBondContact O-N 3.46Å
58C73.8Confident83.7Confident19 Ų1941.6 Ų41.613%0.12823%0.233CC..  trans-64.4105.8177.3-630000110.2T53 T88 G89 V92T53-C58 VanDerWaalsContact O-CA 3.3Å; T53-C58 WeakPolarHBondContact O-CA 3.4Å; C58-T88 HydrophobicContact CB-CG2 4.22Å; C58-G89 WeakPolarHBondContact SG-CA 3.37Å; C58-G89 PolarHBondContact SG-N 3.01Å; C58-V92 HydrophobicContact CB-CB 4.37Å; C58-V92 HydrophobicContact CB-CG2 4.04Å
59E81.3Confident83.7Confident118 Ų11841.9 Ų41.955%0.55124%0.244SC*.  trans-103.8143.3178.3-71.2177.5-171.700110.7T53 N57 L61T53-E59 HydrophobicContact CG2-CB 3.96Å; T53-E59 WeakPolarHBondContact CG2-O 3.46Å; T53-E59 PolarHBondContact N-O 3.45Å; T53-E59 VanDerWaalsContact N-O 3.08Å; N57-E59 PolarHBondContact O-N 3.46Å; E59-L61 PolarHBondContact O-N 2.65Å
60V85.2Confident83.6Confident64 Ų6448.5 Ų48.539%0.38827%0.269SS..EExtended strand (participates in β ladder)trans-88.4104.5172.8-177.60000107.5I52 T63 V92I52-V60 HydrophobicContact CG2-CB 4.46Å; I52-V60 HydrophobicContact CG2-CG1 4.35Å; I52-V60 HydrophobicContact CG2-CG2 4.06Å; V60-T63 HydrophobicContact CG1-CG2 4.27Å; V60-V92 HydrophobicContact CG2-CG1 3.75Å
61L84.6Confident83.4Confident52 Ų5248.6 Ų48.627%0.27227%0.269SS..EExtended strand (participates in β ladder)trans-74.1-41.1-179.9-70.1164000111L51 T53 E59 K74 V78L51-L61 HydrophobicContact CD2-CB 4.1Å; L51-L61 HydrophobicContact CD2-CD1 3.84Å; L51-L61 HydrophobicContact CG-CB 4.4Å; L51-L61 HydrophobicContact CG-CD1 4.21Å; L51-L61 PolarHBondContact O-N 2.81Å; L51-L61 VanDerWaalsContact O-N 3.14Å; T53-L61 HydrophobicContact CG2-CD1 4.42Å; E59-L61 PolarHBondContact O-N 2.65Å; L61-K74 HydrophobicContact CB-CB 4.45Å; L61-V78 HydrophobicContact CD1-CG2 3.8Å
62T87.5Confident83.2Confident6 Ų650.5 Ų50.54%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-141.9124.7-179.5-49.20000108.8L51 T65 R70 I71L51-T62 PolarHBondContact N-O 3.02Å; L51-T62 PolarHBondContact O-N 3.42Å; T62-T65 HydrophobicContact CG2-CG2 3.63Å; T62-R70 HydrophobicContact CG2-CG 4.03Å; T62-I71 HydrophobicContact CG2-CG1 4.17Å
63T87.3Confident83Confident97 Ų9754.5 Ų54.560%0.59531%0.307SS*.EExtended strand (participates in β ladder)trans-68169.9170.553.70000110.9V60 T65V60-T63 HydrophobicContact CG1-CG2 4.27Å; T63-T65 PolarHBondContact O-N 3.47Å
64L86.7Confident82.9Confident34 Ų3459.1 Ų59.118%0.17833%0.326CS..EExtended strand (participates in β ladder)trans-50.2116.7175.3-70.4171.6000110.8M7 N48 R100M7-L64 HydrophobicContact CG-CD2 4.48Å; M7-L64 HydrophobicContact SD-CD2 3.51Å; M7-L64 VanDerWaalsContact SD-CD2 3.51Å; M7-L64 HydrophobicContact SD-CG 3.98Å; N48-L64 HydrophobicContact CB-CB 4.07Å; N48-L64 HydrophobicContact CB-CD2 4.16Å; L64-R100 HydrophobicContact CD1-CB 3.72Å
65T86.3Confident83Confident11 Ų1159.1 Ų59.17%0.06733%0.326CS..EExtended strand (participates in β ladder)trans-145.9147.8-179.5-174.40000109.7V49 T62 T63 D67 I71V49-T65 PolarHBondContact N-O 3.36Å; V49-T65 PolarHBondContact O-N 3Å; T62-T65 HydrophobicContact CG2-CG2 3.63Å; T63-T65 PolarHBondContact O-N 3.47Å; T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact OG1-N 3.41Å; T65-I71 HydrophobicContact CG2-CD1 4.31Å; T65-I71 HydrophobicContact CG2-CG1 4.22Å
66P84.9Confident83.3Confident61 Ų6164.5 Ų64.540%0.39635%0.349SS..SBendtrans-78.2-13.2169.131.8-34.8000112.5T68P66-T68 PolarHBondContact O-N 3.05Å
67D85.6Confident84Confident90 Ų9063.3 Ų63.348%0.48135%0.353SS..  trans-81.499-172.8-63.2-31.9000112.5T65 G69 R70T65-D67 VanDerWaalsContact C-N 3.27Å; T65-D67 PolarHBondContact OG1-N 3.41Å; D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.39Å; D67-R70 HydrophobicContact CB-CB 4.36Å; D67-R70 PolarHBondContact O-N 3.49Å
68T83.2Confident84.6Confident36 Ų3658.1 Ų58.122%0.22133%0.325CS..Hα-helixtrans-60.7-34177590000112.9C37 P66 R70 I71 L72C37-T68 HydrophobicContact CB-CG2 4.08Å; P66-T68 PolarHBondContact O-N 3.05Å; T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.29Å; T68-I71 WeakPolarHBondContact O-CB 3.39Å; T68-I71 PolarHBondContact O-N 3.14Å; T68-I71 VanDerWaalsContact O-N 3.17Å; T68-L72 WeakPolarHBondContact O-CG 3.35Å; T68-L72 PolarHBondContact O-N 3.12Å
69G86.3Confident84.8Confident40 Ų4063 Ų6341%0.41235%0.346SS..Hα-helixtrans-62.5-35.2-18000000114.2D67 S73D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.39Å; G69-S73 PolarHBondContact O-N 3.28Å; G69-S73 VanDerWaalsContact O-N 3.08Å; G69-S73 PolarHBondContact O-OG 3.5Å
70R86.6Confident84.7Confident143 Ų14358.7 Ų58.754%0.5433%0.328SS..Hα-helixtrans-67.7-39.5175.8-176.2177.2-72.6-174.10.9111.1T62 D67 T68 K74T62-R70 HydrophobicContact CG2-CG 4.03Å; D67-R70 HydrophobicContact CB-CB 4.36Å; D67-R70 PolarHBondContact O-N 3.49Å; T68-R70 VanDerWaalsContact C-N 3.34Å; T68-R70 PolarHBondContact O-N 3.29Å; R70-K74 WeakPolarHBondContact O-CG 3.49Å; R70-K74 PolarHBondContact O-N 3.15Å
71I86.4Confident84.3Confident2 Ų263.4 Ų63.41%0.0134%0.339CS..Hα-helixtrans-62.5-50.6176.6-61.2171.3000109.5V33 V49 L51 T62 T65 T68 S73 K74 L75V33-I71 HydrophobicContact CG1-CG2 4.5Å; V49-I71 HydrophobicContact CB-CD1 3.85Å; V49-I71 HydrophobicContact CG1-CD1 3.94Å; L51-I71 HydrophobicContact CB-CG2 4.19Å; L51-I71 HydrophobicContact CD1-CG2 4.33Å; L51-I71 HydrophobicContact CD2-CG2 4.12Å; L51-I71 HydrophobicContact CG-CG2 4.45Å; T62-I71 HydrophobicContact CG2-CG1 4.17Å; T65-I71 HydrophobicContact CG2-CD1 4.31Å; T65-I71 HydrophobicContact CG2-CG1 4.22Å; T68-I71 WeakPolarHBondContact O-CB 3.39Å; T68-I71 PolarHBondContact O-N 3.14Å; T68-I71 VanDerWaalsContact O-N 3.17Å; I71-S73 PolarHBondContact O-N 2.97Å; I71-K74 PolarHBondContact O-N 3.42Å; I71-L75 WeakPolarHBondContact O-CB 3.32Å; I71-L75 PolarHBondContact O-N 3.5Å
72L84.8Confident83.9Confident42 Ų4261.3 Ų61.322%0.2233%0.33CS..Hα-helixtrans-59.5-44.9-179.2-69.7170.7000112.7N34 T68 K74 L75 H76N34-L72 HydrophobicContact CB-CD2 4.1Å; T68-L72 WeakPolarHBondContact O-CG 3.35Å; T68-L72 PolarHBondContact O-N 3.12Å; L72-K74 VanDerWaalsContact C-N 3.28Å; L72-K74 PolarHBondContact O-N 3.17Å; L72-L75 PolarHBondContact O-N 3.04Å; L72-L75 VanDerWaalsContact O-N 3.14Å; L72-H76 PolarHBondContact O-CD2 3.14Å; L72-H76 PolarHBondContact O-N 3.39Å
73S87.8Confident83.5Confident84 Ų8466.1 Ų66.159%0.58736%0.356SS*.Hα-helixtrans-60-39.8178.8-59.60000112.1G69 I71G69-S73 PolarHBondContact O-N 3.28Å; G69-S73 VanDerWaalsContact O-N 3.08Å; G69-S73 PolarHBondContact O-OG 3.5Å; I71-S73 PolarHBondContact O-N 2.97Å
74K85.9Confident83.2Confident106 Ų10662.7 Ų62.746%0.46133%0.333SS..Hα-helixtrans-73.7-34.4176.8-67.4-63.6-176.3-179.60112.2L51 L61 R70 I71 L72 A77L51-K74 HydrophobicContact CD2-CB 4.41Å; L61-K74 HydrophobicContact CB-CB 4.45Å; R70-K74 WeakPolarHBondContact O-CG 3.49Å; R70-K74 PolarHBondContact O-N 3.15Å; I71-K74 PolarHBondContact O-N 3.42Å; L72-K74 VanDerWaalsContact C-N 3.28Å; L72-K74 PolarHBondContact O-N 3.17Å; K74-A77 PolarHBondContact O-N 3.43Å
75L83.5Confident83Confident2 Ų262.2 Ų62.21%0.0133%0.333CS..Hα-helixtrans-69.4-36.2179.1-144.4165.9000111.6Q30 V33 L51 I71 L72 A77 V78Q30-L75 HydrophobicContact CB-CD2 3.68Å; Q30-L75 HydrophobicContact CG-CD2 3.32Å; Q30-L75 PolarHBondContact NE2-O 3.4Å; V33-L75 HydrophobicContact CB-CD1 3.78Å; V33-L75 HydrophobicContact CG1-CD1 3.58Å; V33-L75 HydrophobicContact CG2-CD1 4.18Å; L51-L75 HydrophobicContact CD1-CD1 4.27Å; L51-L75 HydrophobicContact CD2-CB 4.28Å; L51-L75 HydrophobicContact CD2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CB 3.32Å; I71-L75 PolarHBondContact O-N 3.5Å; L72-L75 PolarHBondContact O-N 3.04Å; L72-L75 VanDerWaalsContact O-N 3.14Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.11Å; L75-V78 VanDerWaalsContact O-CB 3.32Å; L75-V78 WeakPolarHBondContact O-CB 3.12Å; L75-V78 PolarHBondContact O-N 3.1Å
76H84.1Confident82.8Confident126 Ų12661.7 Ų61.758%0.58333%0.33SS*.Hα-helixtrans-68.5-25.6172.5-71.7-61.6000114Q30 L72 V78Q30-H76 PolarHBondContact OE1-CE1 3.19Å; Q30-H76 VanDerWaalsContact OE1-CE1 3.23Å; Q30-H76 PolarHBondContact OE1-ND1 3.04Å; L72-H76 PolarHBondContact O-CD2 3.14Å; L72-H76 PolarHBondContact O-N 3.39Å; H76-V78 PolarHBondContact O-N 3.11Å
77A83Confident82.7Confident73 Ų7359.5 Ų59.560%0.60332%0.315SS*.THydrogen-bonded Turntrans-78-10.417700000113.2K74 L75K74-A77 PolarHBondContact O-N 3.43Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.11Å
78V81.2Confident82.7Confident15 Ų1557.5 Ų57.59%0.09131%0.307CS..  trans-73.2131.8-179161.80000110.8N12 L26 L61 L75 H76N12-V78 HydrophobicContact CB-CG1 4.17Å; N12-V78 WeakPolarHBondContact ND2-CG1 3.43Å; N12-V78 WeakPolarHBondContact OD1-CG1 3.05Å; L26-V78 HydrophobicContact CD1-CG1 4.49Å; L61-V78 HydrophobicContact CD1-CG2 3.8Å; L75-V78 VanDerWaalsContact O-CB 3.32Å; L75-V78 WeakPolarHBondContact O-CB 3.12Å; L75-V78 PolarHBondContact O-N 3.1Å; H76-V78 PolarHBondContact O-N 3.11Å
79Q79.2Confident82.8Confident122 Ų12255.8 Ų55.857%0.5730%0.296SS*.  trans-109.5140173.2-63.9-176.17.100110.6R81Q79-R81 PolarHBondContact O-N 3.11Å; Q79-R81 VanDerWaalsContact O-N 3.09Å
80P78.3Confident82.8Confident26 Ų2654.1 Ų54.117%0.16928%0.278CS..  trans-75.6100.5176.729.9-32.8000109.8N12 M16 R17N12-P80 CarbonylContact O-C 3.58Å; N12-P80 WeakPolarHBondContact O-CA 3.33Å; M16-P80 HydrophobicContact CB-CB 4.08Å; R17-P80 HydrophobicContact CG-CB 3.94Å; R17-P80 HydrophobicContact CG-CG 3.69Å; R17-P80 PolarHBondContact NE-O 3.01Å; R17-P80 VanDerWaalsContact NE-O 3.14Å; R17-P80 PolarHBondContact NH2-O 3.34Å
81R77Confident82.8Confident163 Ų16352.7 Ų52.762%0.61527%0.272SS*.  trans-149.1136.8178.6-69.1-171177.6-173.4-0.2109.9N12 Q79N12-R81 CarbonylContact O-C 3.44Å; N12-R81 PolarHBondContact O-N 3.32Å; Q79-R81 PolarHBondContact O-N 3.11Å; Q79-R81 VanDerWaalsContact O-N 3.09Å
82G77.3Confident82.9Confident8 Ų854.3 Ų54.38%0.08228%0.282CS..SBendtrans100.9-173.1170.200000114.9S13 E14 N56S13-G82 WeakPolarHBondContact CA-O 3.41Å; E14-G82 PolarHBondContact N-O 3.47Å; E14-G82 VanDerWaalsContact N-O 3.16Å; N56-G82 WeakPolarHBondContact ND2-CA 3.2Å
83N78.3Confident83.1Confident107 Ų10752.3 Ų52.357%0.57227%0.272SS*.  trans-109.5149-177.9-65.1-10.2000110.1N56N56-N83 PolarHBondContact N-O 3.38Å; N56-N83 PolarHBondContact OD1-N 2.92Å; N56-N83 PolarHBondContact OD1-O 3.48Å
84I81.4Confident82.9Confident25 Ų2548.9 Ų48.913%0.12825%0.246CC..BIsolated β-bridgetrans-75.8137.3177.7-170.5167.3000110.8D11 M54 V113 S115D11-I84 HydrophobicContact CB-CD1 4.18Å; M54-I84 HydrophobicContact CB-CG1 4.16Å; M54-I84 HydrophobicContact CE-CD1 4.08Å; I84-V113 HydrophobicContact CD1-CG1 4.12Å; I84-S115 WeakPolarHBondContact CB-OG 3.4Å; I84-S115 WeakPolarHBondContact CG2-OG 3.25Å
85S81.8Confident82.9Confident24 Ų2448.4 Ų48.417%0.16825%0.249CC..  trans-126.489.516860.90000111M54 C87 T88 G89M54-S85 PolarHBondContact O-N 3.32Å; M54-S85 VanDerWaalsContact O-N 3.16Å; S85-C87 PolarHBondContact O-N 3.37Å; S85-T88 PolarHBondContact O-N 3.27Å; S85-G89 PolarHBondContact O-N 3.02Å; S85-G89 VanDerWaalsContact O-N 3.11Å
86F81.8Confident83.1Confident1 Ų149.3 Ų49.30%0.00426%0.256CS..Hα-helixtrans-69-38.8-170.9-179.3-105.5000112.4M54 T88 G89 I90 A111 V113 V117 D119 L124 I140 L153M54-F86 HydrophobicContact SD-CD2 4.13Å; F86-T88 VanDerWaalsContact C-N 3.3Å; F86-T88 PolarHBondContact O-N 3.35Å; F86-G89 PolarHBondContact O-N 3.26Å; F86-I90 HydrophobicContact CD1-CD1 3.72Å; F86-I90 HydrophobicContact CD2-CD1 4.41Å; F86-I90 HydrophobicContact CE1-CD1 3.17Å; F86-I90 HydrophobicContact CE1-CG1 4.26Å; F86-I90 HydrophobicContact CE2-CD1 3.94Å; F86-I90 HydrophobicContact CE2-CG1 4.25Å; F86-I90 HydrophobicContact CG-CD1 4.31Å; F86-I90 HydrophobicContact CZ-CD1 3.31Å; F86-I90 HydrophobicContact CZ-CG1 4.09Å; F86-I90 PolarHBondContact O-N 3.26Å; F86-I90 VanDerWaalsContact O-N 3.1Å; F86-A111 HydrophobicContact CE2-CB 4.13Å; F86-V113 HydrophobicContact CD2-CG2 4.29Å; F86-V113 HydrophobicContact CE2-CG2 4.21Å; F86-V117 HydrophobicContact CB-CG1 4.03Å; F86-V117 HydrophobicContact CB-CG2 4.36Å; F86-D119 WeakPolarHBondContact CB-OD2 3.35Å; F86-D119 PolarHBondContact N-OD2 3.38Å; F86-L124 HydrophobicContact CD1-CD2 3.86Å; F86-L124 HydrophobicContact CE1-CD2 3.65Å; F86-I140 HydrophobicContact CZ-CD1 3.89Å; F86-L153 HydrophobicContact CE1-CD2 4.24Å; F86-L153 HydrophobicContact CZ-CD2 4.27Å
87C82.9Confident83.1Confident14 Ų1443.3 Ų43.310%0.09523%0.228CC..Hα-helixtrans-59-37176.8-1750000113.5S85 R91 D119 E123S85-C87 PolarHBondContact O-N 3.37Å; C87-R91 WeakPolarHBondContact O-CG 3.38Å; C87-R91 PolarHBondContact O-NE 3.44Å; C87-D119 PolarHBondContact N-OD2 3.36Å; C87-E123 PolarHBondContact SG-OE2 3.44Å
88T85.9Confident83.1Confident49 Ų4945.3 Ų45.330%0.30122%0.223SC..Hα-helixtrans-77.6-41.1177.4-54.70000110.8C58 S85 F86 I90 R91 V92C58-T88 HydrophobicContact CB-CG2 4.22Å; S85-T88 PolarHBondContact O-N 3.27Å; F86-T88 VanDerWaalsContact C-N 3.3Å; F86-T88 PolarHBondContact O-N 3.35Å; T88-I90 PolarHBondContact O-N 3.48Å; T88-R91 PolarHBondContact O-N 2.94Å; T88-R91 VanDerWaalsContact O-N 3.11Å; T88-R91 PolarHBondContact OG1-NH2 3.23Å; T88-V92 HydrophobicContact CG2-CG2 4.35Å; T88-V92 WeakPolarHBondContact O-CG2 3.34Å; T88-V92 PolarHBondContact O-N 3.48Å
89G85.6Confident83Confident0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-54.9-49.1178.500000112.7C58 S85 F86 R91 V92 A93C58-G89 WeakPolarHBondContact SG-CA 3.37Å; C58-G89 PolarHBondContact SG-N 3.01Å; S85-G89 PolarHBondContact O-N 3.02Å; S85-G89 VanDerWaalsContact O-N 3.11Å; F86-G89 PolarHBondContact O-N 3.26Å; G89-R91 VanDerWaalsContact C-N 3.34Å; G89-R91 PolarHBondContact O-N 3.48Å; G89-V92 PolarHBondContact O-N 2.78Å; G89-A93 WeakPolarHBondContact O-CB 3.4Å; G89-A93 PolarHBondContact O-N 3.22Å
90I86.8Confident83Confident4 Ų448.8 Ų48.82%0.02124%0.236CC..Hα-helixtrans-62.8-40.1177.8-66.5168.7000111.9F86 T88 V92 A93 H94 M127 L131 F156F86-I90 HydrophobicContact CD1-CD1 3.72Å; F86-I90 HydrophobicContact CD2-CD1 4.41Å; F86-I90 HydrophobicContact CE1-CD1 3.17Å; F86-I90 HydrophobicContact CE1-CG1 4.26Å; F86-I90 HydrophobicContact CE2-CD1 3.94Å; F86-I90 HydrophobicContact CE2-CG1 4.25Å; F86-I90 HydrophobicContact CG-CD1 4.31Å; F86-I90 HydrophobicContact CZ-CD1 3.31Å; F86-I90 HydrophobicContact CZ-CG1 4.09Å; F86-I90 PolarHBondContact O-N 3.26Å; F86-I90 VanDerWaalsContact O-N 3.1Å; T88-I90 PolarHBondContact O-N 3.48Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 2.83Å; I90-A93 PolarHBondContact O-N 3.33Å; I90-H94 WeakPolarHBondContact O-CB 3.46Å; I90-H94 PolarHBondContact O-N 3.38Å; I90-M127 HydrophobicContact CB-CE 4.08Å; I90-M127 HydrophobicContact CG2-CE 3.56Å; I90-L131 HydrophobicContact CG2-CD1 4Å; I90-L131 HydrophobicContact CG2-CD2 4.12Å; I90-L131 HydrophobicContact CG2-CG 4.45Å; I90-F156 HydrophobicContact CD1-CZ 4.01Å
91R86.6Confident82.6Confident114 Ų11456.9 Ų56.943%0.4327%0.271SS..Hα-helixtrans-63.5-42.2179.9-76.9-178.2-80159-6111.4C87 T88 G89 L95 M127C87-R91 WeakPolarHBondContact O-CG 3.38Å; C87-R91 PolarHBondContact O-NE 3.44Å; T88-R91 PolarHBondContact O-N 2.94Å; T88-R91 VanDerWaalsContact O-N 3.11Å; T88-R91 PolarHBondContact OG1-NH2 3.23Å; G89-R91 VanDerWaalsContact C-N 3.34Å; G89-R91 PolarHBondContact O-N 3.48Å; R91-L95 PolarHBondContact O-N 2.95Å; R91-L95 VanDerWaalsContact O-N 3.11Å; R91-M127 HydrophobicContact CB-CE 4.48Å; R91-M127 HydrophobicContact CG-CE 3.42Å; R91-M127 VanDerWaalsContact CG-CE 3.42Å; R91-M127 HydrophobicContact CG-SD 3.79Å
92V88.6Confident82.2Confident36 Ų3650.1 Ų50.122%0.21825%0.252CS..Hα-helixtrans-69.3-42.3176.8177.20000110.7C58 V60 T88 G89 I90 H94 L95 A96C58-V92 HydrophobicContact CB-CB 4.37Å; C58-V92 HydrophobicContact CB-CG2 4.04Å; V60-V92 HydrophobicContact CG2-CG1 3.75Å; T88-V92 HydrophobicContact CG2-CG2 4.35Å; T88-V92 WeakPolarHBondContact O-CG2 3.34Å; T88-V92 PolarHBondContact O-N 3.48Å; G89-V92 PolarHBondContact O-N 2.78Å; I90-V92 VanDerWaalsContact C-N 3.34Å; I90-V92 PolarHBondContact O-N 2.83Å; V92-H94 VanDerWaalsContact C-N 3.31Å; V92-H94 PolarHBondContact O-N 3.37Å; V92-L95 WeakPolarHBondContact O-CB 3.05Å; V92-L95 PolarHBondContact O-N 3.34Å; V92-L95 VanDerWaalsContact O-N 3.11Å; V92-A96 PolarHBondContact O-N 2.99Å
93A87.9Confident82Confident0 Ų058.4 Ų58.40%029%0.286CS..Hα-helixtrans-56.3-46.3175.100000111.7I52 G89 I90 L95 A96 L97 I109I52-A93 HydrophobicContact CD1-CB 3.6Å; G89-A93 WeakPolarHBondContact O-CB 3.4Å; G89-A93 PolarHBondContact O-N 3.22Å; I90-A93 PolarHBondContact O-N 3.33Å; A93-L95 VanDerWaalsContact C-N 3.35Å; A93-L95 PolarHBondContact O-N 3.07Å; A93-A96 WeakPolarHBondContact O-CB 3.47Å; A93-A96 PolarHBondContact O-N 2.86Å; A93-L97 WeakPolarHBondContact O-CG 3.37Å; A93-L97 PolarHBondContact O-N 3.11Å; A93-I109 HydrophobicContact CB-CD1 3.86Å; A93-I109 HydrophobicContact CB-CG1 4.35Å; A93-I109 HydrophobicContact CB-CG2 4.3Å
94H84.1Confident82Confident11 Ų1160.1 Ų60.15%0.05130%0.295CS..Hα-helixtrans-64.2-39176.9170.2-118.5000112.3I90 V92 L97 K98 E134I90-H94 WeakPolarHBondContact O-CB 3.46Å; I90-H94 PolarHBondContact O-N 3.38Å; V92-H94 VanDerWaalsContact C-N 3.31Å; V92-H94 PolarHBondContact O-N 3.37Å; H94-L97 PolarHBondContact O-N 2.91Å; H94-K98 WeakPolarHBondContact CE1-CE 3.43Å; H94-K98 WeakPolarHBondContact NE2-CE 3.3Å; H94-K98 PolarHBondContact O-N 2.72Å; H94-E134 IonicContact CD2-OE2 3.07Å; H94-E134 PolarHBondContact CD2-OE2 3.11Å; H94-E134 IonicContact CE1-OE1 2.85Å; H94-E134 PolarHBondContact CE1-OE1 3.21Å; H94-E134 IonicContact CE1-OE2 3.69Å; H94-E134 PolarHBondContact CE1-OE2 2.99Å; H94-E134 IonicContact CG-OE2 2.76Å; H94-E134 IonicContact ND1-OE1 2.69Å; H94-E134 IonicContact ND1-OE2 3.18Å; H94-E134 PolarHBondContact ND1-OE2 2.85Å; H94-E134 IonicContact NE2-OE1 2.85Å; H94-E134 PolarHBondContact NE2-OE1 3.49Å; H94-E134 IonicContact NE2-OE2 2.65Å; H94-E134 PolarHBondContact NE2-OE2 3.09Å
95L86.9Confident81.9Confident97 Ų9759.9 Ų59.951%0.50829%0.293SS..Hα-helixtrans-63.5-41.8174.3-176.362.2000111.7R91 V92 A93 L97 K98 H99R91-L95 PolarHBondContact O-N 2.95Å; R91-L95 VanDerWaalsContact O-N 3.11Å; V92-L95 WeakPolarHBondContact O-CB 3.05Å; V92-L95 PolarHBondContact O-N 3.34Å; V92-L95 VanDerWaalsContact O-N 3.11Å; A93-L95 VanDerWaalsContact C-N 3.35Å; A93-L95 PolarHBondContact O-N 3.07Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.02Å; L95-K98 WeakPolarHBondContact O-CB 3.46Å; L95-K98 PolarHBondContact O-N 2.84Å; L95-K98 VanDerWaalsContact O-N 3.15Å; L95-H99 PolarHBondContact O-CD2 2.65Å
96A85.9Confident81.9Confident20 Ų2064 Ų6417%0.16531%0.308CS..Hα-helixtrans-61.1-39.3176.500000112M7 V92 A93 K98 H99M7-A96 HydrophobicContact CE-CB 3.86Å; M7-A96 HydrophobicContact SD-CB 4.12Å; V92-A96 PolarHBondContact O-N 2.99Å; A93-A96 WeakPolarHBondContact O-CB 3.47Å; A93-A96 PolarHBondContact O-N 2.86Å; A96-K98 PolarHBondContact O-N 2.68Å; A96-H99 PolarHBondContact O-N 2.76Å
97L84.2Confident82.1Confident0 Ų064.9 Ų64.90%031%0.313CS..Hα-helixtrans-67.4-17.3176.9-74.2167000114.5S5 M7 A93 H94 L95 R100 M107 I109 V136S5-L97 WeakPolarHBondContact O-CD2 3.2Å; M7-L97 HydrophobicContact CG-CD1 4.24Å; M7-L97 HydrophobicContact CG-CD2 3.58Å; M7-L97 HydrophobicContact CG-CG 3.57Å; A93-L97 WeakPolarHBondContact O-CG 3.37Å; A93-L97 PolarHBondContact O-N 3.11Å; H94-L97 PolarHBondContact O-N 2.91Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 3.02Å; L97-R100 WeakPolarHBondContact O-CG 3.32Å; L97-R100 PolarHBondContact O-NH1 2.69Å; L97-R100 VanDerWaalsContact O-NH1 3.16Å; L97-M107 HydrophobicContact CB-CG 4.2Å; L97-M107 HydrophobicContact CB-SD 3.88Å; L97-M107 HydrophobicContact CD1-CB 4.06Å; L97-M107 HydrophobicContact CD1-CG 4.32Å; L97-M107 HydrophobicContact CD1-SD 4.41Å; L97-M107 HydrophobicContact CD2-CB 4.37Å; L97-M107 HydrophobicContact CD2-CG 4.23Å; L97-M107 HydrophobicContact CG-CG 4.49Å; L97-I109 HydrophobicContact CD1-CD1 3.89Å; L97-I109 HydrophobicContact CD1-CG1 3.58Å; L97-V136 HydrophobicContact CD1-CG1 4.28Å
98K83.8Confident82.3Confident116 Ų11664.9 Ų64.950%0.50431%0.311SS..Hα-helixtrans-76.7-29.9173.7-70.1-169.8-178.9-171.10113H94 L95 A96 R100H94-K98 WeakPolarHBondContact CE1-CE 3.43Å; H94-K98 WeakPolarHBondContact NE2-CE 3.3Å; H94-K98 PolarHBondContact O-N 2.72Å; L95-K98 WeakPolarHBondContact O-CB 3.46Å; L95-K98 PolarHBondContact O-N 2.84Å; L95-K98 VanDerWaalsContact O-N 3.15Å; A96-K98 PolarHBondContact O-N 2.68Å; K98-R100 PolarHBondContact O-N 3.18Å; K98-R100 VanDerWaalsContact O-N 3.17Å
99H79.7Confident82.5Confident150 Ų15062.6 Ų62.669%0.69430%0.296SS*.SBendtrans-87.436.4-179.5-70.4-74.7000112.5L95 A96L95-H99 PolarHBondContact O-CD2 2.65Å; A96-H99 PolarHBondContact O-N 2.76Å
100R77.6Confident82.7Confident60 Ų6062.6 Ų62.623%0.22630%0.296CS..  trans-86.3145.2176.765.7-179.8-171.8-110.511.2111.2L64 L97 K98 G102 K103 M107L64-R100 HydrophobicContact CD1-CB 3.72Å; L97-R100 WeakPolarHBondContact O-CG 3.32Å; L97-R100 PolarHBondContact O-NH1 2.69Å; L97-R100 VanDerWaalsContact O-NH1 3.16Å; K98-R100 PolarHBondContact O-N 3.18Å; K98-R100 VanDerWaalsContact O-N 3.17Å; R100-G102 WeakPolarHBondContact CD-O 3.01Å; R100-G102 WeakPolarHBondContact CG-O 3.37Å; R100-G102 PolarHBondContact NE-O 2.85Å; R100-K103 PolarHBondContact NH2-O 3.26Å; R100-M107 PolarHBondContact NH1-SD 2.85Å
101Q70.1Confident82.7Confident196 Ų19662.5 Ų62.592%0.91630%0.296SS*.SBendtrans-71.2-39.5179.1-60.8-63.6-13.600111.7
102G69.3Low82.7Confident20 Ų2057 Ų5721%0.20628%0.276CS..  trans-99.8119.7177.300000113.3R100 N104R100-G102 WeakPolarHBondContact CD-O 3.01Å; R100-G102 WeakPolarHBondContact CG-O 3.37Å; R100-G102 PolarHBondContact NE-O 2.85Å; G102-N104 PolarHBondContact O-N 2.85Å
103K73.5Confident82.6Confident182 Ų18255.4 Ų55.479%0.79127%0.266SS*.THydrogen-bonded Turntrans-68.3-21.2175.1-71.3179.6-176.2172.90113.2R100 H105R100-K103 PolarHBondContact NH2-O 3.26Å; K103-H105 VanDerWaalsContact C-N 3.3Å; K103-H105 PolarHBondContact O-N 3.24Å
104N77.5Confident82.1Confident144 Ų14455.6 Ų55.677%0.7727%0.268SS*.THydrogen-bonded Turntrans-80.5-7.2-175.5-60.6-21.5000114G102G102-N104 PolarHBondContact O-N 2.85Å
105H78.8Confident81.9Confident20 Ų2055.3 Ų55.39%0.09327%0.267CS..SBendtrans-72.2131.7177.9-59.2168.6000110.9L3 S5 N48 K103L3-H105 VanDerWaalsContact CB-CD2 3.41Å; L3-H105 WeakPolarHBondContact CB-CD2 3.02Å; L3-H105 WeakPolarHBondContact O-CA 3.22Å; S5-H105 WeakPolarHBondContact OG-CB 3.5Å; S5-H105 PolarHBondContact OG-ND1 3.17Å; N48-H105 PolarHBondContact ND2-CE1 2.67Å; K103-H105 VanDerWaalsContact C-N 3.3Å; K103-H105 PolarHBondContact O-N 3.24Å
106K82.6Confident81.4Confident109 Ų10952.5 Ų52.547%0.47426%0.255SS..EExtended strand (participates in β ladder)trans-65.4135.9166.6-71.1-171.8-176.4169.30109.1V2 L3 E4 S5V2-K106 HydrophobicContact CG1-CD 3.65Å; V2-K106 HydrophobicContact CG1-CG 4Å; L3-K106 PolarHBondContact O-N 3.12Å; E4-K106 WeakPolarHBondContact CA-O 2.97Å; S5-K106 PolarHBondContact N-O 2.88Å
107M86.3Confident81Confident21 Ų2151.9 Ų51.910%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-86.2120177.6-70.9-174.9-72.200109.6L97 R100 E134 V136 N137L97-M107 HydrophobicContact CB-CG 4.2Å; L97-M107 HydrophobicContact CB-SD 3.88Å; L97-M107 HydrophobicContact CD1-CB 4.06Å; L97-M107 HydrophobicContact CD1-CG 4.32Å; L97-M107 HydrophobicContact CD1-SD 4.41Å; L97-M107 HydrophobicContact CD2-CB 4.37Å; L97-M107 HydrophobicContact CD2-CG 4.23Å; L97-M107 HydrophobicContact CG-CG 4.49Å; R100-M107 PolarHBondContact NH1-SD 2.85Å; M107-E134 HydrophobicContact CE-CB 4.47Å; M107-E134 WeakPolarHBondContact CE-O 3.45Å; M107-V136 HydrophobicContact CB-CB 4.38Å; M107-V136 HydrophobicContact CB-CG1 4.2Å; M107-V136 HydrophobicContact CB-CG2 4.04Å; M107-V136 HydrophobicContact CE-CG2 3.58Å; M107-V136 HydrophobicContact SD-CG2 3.88Å; M107-N137 PolarHBondContact O-N 3.19Å
108R87.1Confident80.5Confident14 Ų1460.7 Ų60.75%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-125.8136.5173.4-174.2174.5-69.3-83.67.2110E4 S5 T6 M7 I110 N137 D139 E192E4-R108 IonicContact OE2-NE 3.87Å; S5-R108 PolarHBondContact O-N 2.82Å; T6-R108 CarbonylContact C-O 3.53Å; T6-R108 WeakPolarHBondContact CA-O 3.2Å; M7-R108 PolarHBondContact N-O 3.08Å; R108-I110 HydrophobicContact CG-CG1 4.3Å; R108-N137 CarbonylContact C-O 3.55Å; R108-N137 WeakPolarHBondContact CA-O 3.44Å; R108-N137 HydrophobicContact CG-CB 4.48Å; R108-D139 VanDerWaalsContact CD-OD2 3.3Å; R108-D139 WeakPolarHBondContact CD-OD2 3.43Å; R108-D139 IonicContact CZ-OD2 2.77Å; R108-D139 IonicContact NE-OD2 2.64Å; R108-D139 VanDerWaalsContact NH1-CG 3.32Å; R108-D139 IonicContact NH1-OD1 3.17Å; R108-D139 PolarHBondContact NH1-OD1 3.1Å; R108-D139 IonicContact NH1-OD2 2.81Å; R108-D139 PolarHBondContact NH1-OD2 2.9Å; R108-E192 IonicContact CZ-OE2 2.99Å; R108-E192 IonicContact NE-OE2 2.87Å; R108-E192 PolarHBondContact NE-OE2 3.42Å; R108-E192 IonicContact NH2-OE2 3.78Å; R108-E192 PolarHBondContact NH2-OE2 2.72Å
109I89.8Confident80Confident0 Ų056.8 Ų56.80%028%0.275CS..EExtended strand (participates in β ladder)trans-118.6125.6173-58.4174.9000106.9M7 C9 A93 L97 V136 N137 V138 D139M7-I109 CarbonylContact O-C 3.56Å; M7-I109 WeakPolarHBondContact O-CA 2.95Å; C9-I109 VanDerWaalsContact SG-CG2 3.55Å; A93-I109 HydrophobicContact CB-CD1 3.86Å; A93-I109 HydrophobicContact CB-CG1 4.35Å; A93-I109 HydrophobicContact CB-CG2 4.3Å; L97-I109 HydrophobicContact CD1-CD1 3.89Å; L97-I109 HydrophobicContact CD1-CG1 3.58Å; I109-V136 HydrophobicContact CD1-CG1 3.63Å; I109-V136 HydrophobicContact CG1-CG1 3.83Å; I109-N137 PolarHBondContact N-O 2.67Å; I109-V138 HydrophobicContact CB-CG1 4.45Å; I109-V138 HydrophobicContact CB-CG2 4.28Å; I109-V138 HydrophobicContact CD1-CG2 4.3Å; I109-V138 CarbonylContact O-C 3.57Å; I109-V138 WeakPolarHBondContact O-CA 3.46Å; I109-D139 PolarHBondContact O-N 2.95Å
110I89.2Confident80Confident0 Ų054.7 Ų54.70%027%0.269CS..EExtended strand (participates in β ladder)trans-110.4119171.8-59.1173.1000106.6T6 M7 V8 C9 V36 R108 F112 D139 I141 I188T6-I110 HydrophobicContact CG2-CD1 3.51Å; T6-I110 HydrophobicContact CG2-CG1 3.91Å; M7-I110 PolarHBondContact O-N 2.7Å; V8-I110 CarbonylContact C-O 3.59Å; V8-I110 WeakPolarHBondContact CA-O 3.16Å; C9-I110 PolarHBondContact N-O 3.1Å; V36-I110 HydrophobicContact CG1-CD1 3.52Å; R108-I110 HydrophobicContact CG-CG1 4.3Å; I110-F112 HydrophobicContact CG2-CD2 4.32Å; I110-F112 HydrophobicContact CG2-CE2 3.74Å; I110-F112 HydrophobicContact CG2-CZ 4.33Å; I110-D139 CarbonylContact C-O 3.12Å; I110-D139 WeakPolarHBondContact CA-O 3.22Å; I110-D139 HydrophobicContact CG1-CB 4.32Å; I110-I141 HydrophobicContact CG2-CD1 3.55Å; I110-I141 HydrophobicContact CG2-CG1 4.45Å; I110-I188 HydrophobicContact CD1-CG2 3.76Å
111A88.1Confident80.1Confident2 Ų257.6 Ų57.62%0.01729%0.285CS..EExtended strand (participates in β ladder)trans-114.7118.7-177.600000110.6C9 M54 F86 D139 I141C9-A111 HydrophobicContact CB-CB 4.23Å; M54-A111 HydrophobicContact CE-CB 4.4Å; F86-A111 HydrophobicContact CE2-CB 4.13Å; A111-D139 PolarHBondContact N-O 3.23Å; A111-I141 PolarHBondContact O-N 2.77Å
112F86.9Confident80.8Confident0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-87.8118.7171.9-69.1-101000108.5V8 C9 D11 Q29 A32 V33 M54 I110 I141 F143 L183V8-F112 HydrophobicContact CG1-CD2 4Å; V8-F112 HydrophobicContact CG1-CE2 3.72Å; C9-F112 WeakPolarHBondContact O-CB 3.34Å; C9-F112 PolarHBondContact O-N 3.25Å; D11-F112 VanDerWaalsContact CB-O 3.25Å; D11-F112 WeakPolarHBondContact CB-O 3.48Å; Q29-F112 HydrophobicContact CG-CD1 4.12Å; Q29-F112 HydrophobicContact CG-CG 4.4Å; A32-F112 HydrophobicContact CB-CE1 3.77Å; A32-F112 HydrophobicContact CB-CZ 4.22Å; V33-F112 HydrophobicContact CG2-CD2 4.35Å; V33-F112 HydrophobicContact CG2-CE2 3.88Å; V33-F112 HydrophobicContact CG2-CZ 4.1Å; M54-F112 WeakPolarHBondContact CE-O 3.49Å; I110-F112 HydrophobicContact CG2-CD2 4.32Å; I110-F112 HydrophobicContact CG2-CE2 3.74Å; I110-F112 HydrophobicContact CG2-CZ 4.33Å; F112-I141 HydrophobicContact CD1-CD1 4.04Å; F112-I141 HydrophobicContact CD2-CD1 4.31Å; F112-I141 HydrophobicContact CE1-CD1 3.55Å; F112-I141 HydrophobicContact CE2-CD1 3.9Å; F112-I141 HydrophobicContact CG-CD1 4.35Å; F112-I141 HydrophobicContact CZ-CD1 3.48Å; F112-I141 VanDerWaalsContact CZ-CD1 3.48Å; F112-F143 HydrophobicContact CB-CE2 4.38Å; F112-F143 HydrophobicContact CD1-CD2 4.3Å; F112-F143 AromaticContact CD1-CE2 3.29Å; F112-F143 HydrophobicContact CD1-CE2 3.29Å; F112-F143 AromaticContact CD1-CZ 3.8Å; F112-F143 HydrophobicContact CD1-CZ 3.8Å; F112-F143 AromaticContact CE1-CE2 3.86Å; F112-F143 HydrophobicContact CE1-CE2 3.86Å; F112-F143 AromaticContact CE1-CZ 3.89Å; F112-F143 HydrophobicContact CE1-CZ 3.89Å; F112-F143 HydrophobicContact CG-CE2 4.22Å; F112-L183 HydrophobicContact CE1-CD1 4.18Å
113V85.5Confident81.5Confident1 Ų159.5 Ų59.51%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-120.4114-179.3-175.90000108.5M54 I84 F86 V117 I140 I141 N142 F143 N149M54-V113 HydrophobicContact CE-CG2 4.4Å; I84-V113 HydrophobicContact CD1-CG1 4.12Å; F86-V113 HydrophobicContact CD2-CG2 4.29Å; F86-V113 HydrophobicContact CE2-CG2 4.21Å; V113-V117 HydrophobicContact CG1-CG2 3.97Å; V113-I140 HydrophobicContact CG2-CG2 4Å; V113-I141 PolarHBondContact N-O 3.29Å; V113-N142 WeakPolarHBondContact O-CA 3.34Å; V113-F143 PolarHBondContact O-N 3.12Å; V113-N149 VanDerWaalsContact CG1-ND2 3.29Å; V113-N149 WeakPolarHBondContact CG1-ND2 3.37Å
114G77.9Confident81.9Confident5 Ų551.4 Ų51.45%0.05225%0.251CS..  trans-116.54-178.200000114.3D11 R25 F143D11-G114 PolarHBondContact OD2-N 3.47Å; R25-G114 PolarHBondContact NH1-O 3.13Å; G114-F143 WeakPolarHBondContact CA-O 3.39Å
115S78.3Confident82.3Confident5 Ų546.8 Ų46.84%0.03523%0.228CC..SBendtrans-136.8153.4-17449.80000111.4D11 S13 I84 V117D11-S115 PolarHBondContact OD2-OG 2.93Å; S13-S115 WeakPolarHBondContact CB-OG 2.9Å; S13-S115 WeakPolarHBondContact OG-CB 3.45Å; S13-S115 PolarHBondContact OG-OG 3.05Å; I84-S115 WeakPolarHBondContact CB-OG 3.4Å; I84-S115 WeakPolarHBondContact CG2-OG 3.25Å; S115-V117 PolarHBondContact O-N 3.09Å
116P78.4Confident82.7Confident37 Ų3753.1 Ų53.124%0.2426%0.255CS..  trans-64.8132.2178.226.2-33.9000110.5Y15Y15-P116 HydrophobicContact CE2-CG 4.38Å
117V75.8Confident82.8Confident8 Ų848.9 Ų48.95%0.04824%0.237CC..  trans-91.8114.1-179178.30000109.7F86 V113 S115 D119 K152F86-V117 HydrophobicContact CB-CG1 4.03Å; F86-V117 HydrophobicContact CB-CG2 4.36Å; V113-V117 HydrophobicContact CG1-CG2 3.97Å; S115-V117 PolarHBondContact O-N 3.09Å; V117-D119 HydrophobicContact CG1-CB 3.6Å; V117-D119 WeakPolarHBondContact CG1-OD2 3.43Å; V117-D119 PolarHBondContact O-N 2.98Å; V117-K152 PolarHBondContact O-NZ 3.33Å
118E73.7Confident82.7Confident185 Ų18547.9 Ų47.986%0.86423%0.232SC*.  trans-77.41.2175.3-66.3-169.7162.900113.6
119D73.1Confident82.7Confident34 Ų3453.8 Ų53.818%0.18226%0.258CS..  trans-65.1148.7-177.4-68.9-42.7000113F86 C87 V117 L124 K152F86-D119 WeakPolarHBondContact CB-OD2 3.35Å; F86-D119 PolarHBondContact N-OD2 3.38Å; C87-D119 PolarHBondContact N-OD2 3.36Å; V117-D119 HydrophobicContact CG1-CB 3.6Å; V117-D119 WeakPolarHBondContact CG1-OD2 3.43Å; V117-D119 PolarHBondContact O-N 2.98Å; D119-L124 HydrophobicContact CB-CD1 4.35Å; D119-K152 PolarHBondContact O-NZ 3.25Å
120N80.9Confident82.4Confident106 Ų10659.6 Ų59.657%0.56728%0.28SS*.  trans-76.4131.7177.4-73.2-57.9000111.7K122 E123 L124N120-K122 PolarHBondContact O-N 3.28Å; N120-K122 VanDerWaalsContact O-N 3.1Å; N120-E123 HydrophobicContact CB-CG 4.35Å; N120-E123 PolarHBondContact O-N 2.89Å; N120-L124 PolarHBondContact O-N 3.31Å
121E79.7Confident82.2Confident120 Ų12059.7 Ų59.756%0.56128%0.281SS*.Hα-helixtrans-54-34.3175.9-65.2176.6-177.700113.3E123 L124 V125 K152E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 2.83Å; E121-L124 WeakPolarHBondContact O-CB 3.05Å; E121-L124 PolarHBondContact O-N 3.11Å; E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 2.85Å; E121-K152 HydrophobicContact CG-CG 4.36Å
122K84.1Confident82Confident174 Ų17464.6 Ų64.676%0.75730%0.302SS*.Hα-helixtrans-62.9-33.2178.5-65.8179.4-177.1172.10112.7N120 K126N120-K122 PolarHBondContact O-N 3.28Å; N120-K122 VanDerWaalsContact O-N 3.1Å; K122-K126 WeakPolarHBondContact O-CG 3.38Å; K122-K126 PolarHBondContact O-N 3.24Å
123E84.6Confident81.9Confident83 Ų8373.4 Ų73.439%0.38834%0.34SS..Hα-helixtrans-78-41.9177.8-64.9-169.8-176.600111C87 N120 E121 V125 K126 M127C87-E123 PolarHBondContact SG-OE2 3.44Å; N120-E123 HydrophobicContact CB-CG 4.35Å; N120-E123 PolarHBondContact O-N 2.89Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 2.83Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 2.87Å; E123-K126 WeakPolarHBondContact O-CB 3.25Å; E123-K126 PolarHBondContact O-N 3.08Å; E123-K126 VanDerWaalsContact O-N 3.13Å; E123-M127 WeakPolarHBondContact O-CB 3.47Å; E123-M127 WeakPolarHBondContact O-CG 3.48Å; E123-M127 PolarHBondContact O-N 2.78Å
124L82.7Confident81.8Confident11 Ų1175.8 Ų75.86%0.05835%0.351CS..Hα-helixtrans-53.9-46.7172.3-79.8146.8000111.5F86 D119 N120 E121 K126 M127 A128 F156F86-L124 HydrophobicContact CD1-CD2 3.86Å; F86-L124 HydrophobicContact CE1-CD2 3.65Å; D119-L124 HydrophobicContact CB-CD1 4.35Å; N120-L124 PolarHBondContact O-N 3.31Å; E121-L124 WeakPolarHBondContact O-CB 3.05Å; E121-L124 PolarHBondContact O-N 3.11Å; L124-K126 PolarHBondContact O-N 2.81Å; L124-M127 WeakPolarHBondContact O-CB 3.29Å; L124-M127 PolarHBondContact O-N 2.86Å; L124-A128 WeakPolarHBondContact O-CB 3.42Å; L124-A128 PolarHBondContact O-N 2.93Å; L124-F156 HydrophobicContact CB-CD2 4Å; L124-F156 HydrophobicContact CD2-CB 4.19Å; L124-F156 HydrophobicContact CD2-CD2 3.67Å; L124-F156 HydrophobicContact CD2-CE2 4.23Å; L124-F156 HydrophobicContact CD2-CG 4.02Å; L124-F156 HydrophobicContact CG-CD2 4.49Å; L124-F156 WeakPolarHBondContact O-CD2 3.44Å; L124-F156 WeakPolarHBondContact O-CE2 3.41Å
125V85.5Confident82Confident48 Ų4884.1 Ų84.129%0.29139%0.386SS..Hα-helixtrans-65.6-37.7178174.10000112.4E121 E123 M127 K129E121-V125 WeakPolarHBondContact O-CG2 3.33Å; E121-V125 PolarHBondContact O-N 2.85Å; E123-V125 VanDerWaalsContact C-N 3.32Å; E123-V125 PolarHBondContact O-N 2.87Å; V125-M127 VanDerWaalsContact C-N 3.33Å; V125-K129 WeakPolarHBondContact O-CG 3.16Å; V125-K129 PolarHBondContact O-N 2.84Å; V125-K129 VanDerWaalsContact O-N 3.16Å
126K87.3Confident82.3Confident152 Ų15284 Ų8466%0.66139%0.385SS*.Hα-helixtrans-65-40.8174.5-73.5173.6-175.9176.80111K122 E123 L124 R130K122-K126 WeakPolarHBondContact O-CG 3.38Å; K122-K126 PolarHBondContact O-N 3.24Å; E123-K126 WeakPolarHBondContact O-CB 3.25Å; E123-K126 PolarHBondContact O-N 3.08Å; E123-K126 VanDerWaalsContact O-N 3.13Å; L124-K126 PolarHBondContact O-N 2.81Å; K126-R130 PolarHBondContact O-N 3.16Å
127M83.3Confident82.6Confident20 Ų2084.1 Ų84.110%0.09938%0.384CS..Hα-helixtrans-65.7-45177.1-73.5-60-62.900111.7I90 R91 E123 L124 V125 K129 R130 L131 F156I90-M127 HydrophobicContact CB-CE 4.08Å; I90-M127 HydrophobicContact CG2-CE 3.56Å; R91-M127 HydrophobicContact CB-CE 4.48Å; R91-M127 HydrophobicContact CG-CE 3.42Å; R91-M127 VanDerWaalsContact CG-CE 3.42Å; R91-M127 HydrophobicContact CG-SD 3.79Å; E123-M127 WeakPolarHBondContact O-CB 3.47Å; E123-M127 WeakPolarHBondContact O-CG 3.48Å; E123-M127 PolarHBondContact O-N 2.78Å; L124-M127 WeakPolarHBondContact O-CB 3.29Å; L124-M127 PolarHBondContact O-N 2.86Å; V125-M127 VanDerWaalsContact C-N 3.33Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 3.43Å; M127-R130 WeakPolarHBondContact O-CA 3.36Å; M127-R130 WeakPolarHBondContact O-CB 3.32Å; M127-R130 PolarHBondContact O-N 3.28Å; M127-L131 WeakPolarHBondContact O-CG 3.35Å; M127-L131 PolarHBondContact O-N 2.9Å; M127-F156 HydrophobicContact CB-CE2 4.29Å
128A84.3Confident83.1Confident0 Ų083.8 Ų83.80%038%0.381CS..Hα-helixtrans-58.7-43176.700000112.2L124 R130 L131 K132 F156 T159L124-A128 WeakPolarHBondContact O-CB 3.42Å; L124-A128 PolarHBondContact O-N 2.93Å; A128-R130 VanDerWaalsContact C-N 3.26Å; A128-R130 PolarHBondContact O-N 2.81Å; A128-L131 PolarHBondContact O-N 3.38Å; A128-K132 WeakPolarHBondContact O-CB 3.36Å; A128-K132 PolarHBondContact O-N 2.97Å; A128-F156 HydrophobicContact CB-CD2 3.83Å; A128-F156 HydrophobicContact CB-CE2 3.75Å; A128-T159 WeakPolarHBondContact CB-OG1 3.47Å
129K87Confident83.8Confident139 Ų13975 Ų7560%0.60434%0.34SS*.Hα-helixtrans-61.9-33.7174.6-72.7178.1-177-1800112.9V125 M127 K133V125-K129 WeakPolarHBondContact O-CG 3.16Å; V125-K129 PolarHBondContact O-N 2.84Å; V125-K129 VanDerWaalsContact O-N 3.16Å; M127-K129 VanDerWaalsContact C-N 3.33Å; M127-K129 PolarHBondContact O-N 3.43Å; K129-K133 PolarHBondContact O-N 3.5Å
130R84.8Confident84.4Confident121 Ų12173.3 Ų73.346%0.45733%0.332SS..Hα-helixtrans-71.3-47.7177.3-171.4178.3177.8167.42.2111.1K126 M127 A128 K132 K133 E134K126-R130 PolarHBondContact O-N 3.16Å; M127-R130 WeakPolarHBondContact O-CA 3.36Å; M127-R130 WeakPolarHBondContact O-CB 3.32Å; M127-R130 PolarHBondContact O-N 3.28Å; A128-R130 VanDerWaalsContact C-N 3.26Å; A128-R130 PolarHBondContact O-N 2.81Å; R130-K132 PolarHBondContact O-N 2.84Å; R130-K133 WeakPolarHBondContact O-CB 3.06Å; R130-K133 PolarHBondContact O-N 3.22Å; R130-E134 IonicContact NE-OE1 3.84Å; R130-E134 PolarHBondContact O-N 3.45Å
131L84.9Confident84.6Confident2 Ų268.3 Ų68.31%0.0131%0.305CS..Hα-helixtrans-59.3-35.9176.8-69166.2000112.3I90 M127 A128 K133 E134 K135 V136 V138 F156 L160I90-L131 HydrophobicContact CG2-CD1 4Å; I90-L131 HydrophobicContact CG2-CD2 4.12Å; I90-L131 HydrophobicContact CG2-CG 4.45Å; M127-L131 WeakPolarHBondContact O-CG 3.35Å; M127-L131 PolarHBondContact O-N 2.9Å; A128-L131 PolarHBondContact O-N 3.38Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.86Å; L131-E134 CarbonylContact O-C 3.52Å; L131-E134 PolarHBondContact O-N 2.6Å; L131-K135 PolarHBondContact O-N 3.17Å; L131-V136 HydrophobicContact CD2-CB 3.9Å; L131-V136 HydrophobicContact CD2-CG1 4.08Å; L131-V136 HydrophobicContact CD2-CG2 4.17Å; L131-V136 PolarHBondContact O-N 3.23Å; L131-V138 HydrophobicContact CD1-CG2 4Å; L131-F156 HydrophobicContact CD1-CE2 4.28Å; L131-F156 HydrophobicContact CD1-CZ 3.58Å; L131-L160 HydrophobicContact CB-CD1 4.44Å; L131-L160 HydrophobicContact CD1-CD1 4.04Å
132K83.7Confident84.8Confident106 Ų10662.7 Ų62.746%0.46128%0.278SS..Hα-helixtrans-63.9-36.2175.6-170.7167.6-172.9163.50113.5A128 R130 E134 K135A128-K132 WeakPolarHBondContact O-CB 3.36Å; A128-K132 PolarHBondContact O-N 2.97Å; R130-K132 PolarHBondContact O-N 2.84Å; K132-E134 VanDerWaalsContact C-N 3.3Å; K132-K135 PolarHBondContact O-N 3.1Å
133K84.9Confident84.5Confident184 Ų18454.8 Ų54.880%0.824%0.244SC*.Hα-helixtrans-68.5-34.6174.8-68.9179.6179.5-174.20111.7K129 R130 L131 K135K129-K133 PolarHBondContact O-N 3.5Å; R130-K133 WeakPolarHBondContact O-CB 3.06Å; R130-K133 PolarHBondContact O-N 3.22Å; L131-K133 VanDerWaalsContact C-N 3.35Å; L131-K133 PolarHBondContact O-N 2.86Å; K133-K135 VanDerWaalsContact C-N 3.33Å
134E82.3Confident83.8Confident51 Ų5152 Ų5224%0.23824%0.237CC..Hα-helixtrans-86.2-7.3-177-70.6160.2169.400112H94 M107 R130 L131 K132 V136H94-E134 IonicContact CD2-OE2 3.07Å; H94-E134 PolarHBondContact CD2-OE2 3.11Å; H94-E134 IonicContact CE1-OE1 2.85Å; H94-E134 PolarHBondContact CE1-OE1 3.21Å; H94-E134 IonicContact CE1-OE2 3.69Å; H94-E134 PolarHBondContact CE1-OE2 2.99Å; H94-E134 IonicContact CG-OE2 2.76Å; H94-E134 IonicContact ND1-OE1 2.69Å; H94-E134 IonicContact ND1-OE2 3.18Å; H94-E134 PolarHBondContact ND1-OE2 2.85Å; H94-E134 IonicContact NE2-OE1 2.85Å; H94-E134 PolarHBondContact NE2-OE1 3.49Å; H94-E134 IonicContact NE2-OE2 2.65Å; H94-E134 PolarHBondContact NE2-OE2 3.09Å; M107-E134 HydrophobicContact CE-CB 4.47Å; M107-E134 WeakPolarHBondContact CE-O 3.45Å; R130-E134 IonicContact NE-OE1 3.84Å; R130-E134 PolarHBondContact O-N 3.45Å; L131-E134 CarbonylContact O-C 3.52Å; L131-E134 PolarHBondContact O-N 2.6Å; K132-E134 VanDerWaalsContact C-N 3.3Å; E134-V136 HydrophobicContact CB-CG2 3.97Å
135K81.9Confident83Confident181 Ų18155.5 Ų55.579%0.78725%0.253SS*.THydrogen-bonded Turntrans5451.3-176.6-62.4-176.3177.7-176.70112.1L131 K132 K133L131-K135 PolarHBondContact O-N 3.17Å; K132-K135 PolarHBondContact O-N 3.1Å; K133-K135 VanDerWaalsContact C-N 3.33Å
136V85Confident81.9Confident2 Ų256 Ų561%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-96.9129.1175.7-178.70000109.6L97 M107 I109 L131 E134 V138L97-V136 HydrophobicContact CD1-CG1 4.28Å; M107-V136 HydrophobicContact CB-CB 4.38Å; M107-V136 HydrophobicContact CB-CG1 4.2Å; M107-V136 HydrophobicContact CB-CG2 4.04Å; M107-V136 HydrophobicContact CE-CG2 3.58Å; M107-V136 HydrophobicContact SD-CG2 3.88Å; I109-V136 HydrophobicContact CD1-CG1 3.63Å; I109-V136 HydrophobicContact CG1-CG1 3.83Å; L131-V136 HydrophobicContact CD2-CB 3.9Å; L131-V136 HydrophobicContact CD2-CG1 4.08Å; L131-V136 HydrophobicContact CD2-CG2 4.17Å; L131-V136 PolarHBondContact O-N 3.23Å; E134-V136 HydrophobicContact CB-CG2 3.97Å; V136-V138 HydrophobicContact CG1-CG2 4.13Å
137N86.1Confident80.8Confident40 Ų4057.1 Ų57.121%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-84.3133.7170.1-69.5-16.3000109.3M107 R108 I109 G167M107-N137 PolarHBondContact O-N 3.19Å; R108-N137 CarbonylContact C-O 3.55Å; R108-N137 WeakPolarHBondContact CA-O 3.44Å; R108-N137 HydrophobicContact CG-CB 4.48Å; I109-N137 PolarHBondContact N-O 2.67Å; N137-G167 WeakPolarHBondContact CB-O 3.23Å; N137-G167 WeakPolarHBondContact OD1-CA 2.87Å
138V86.3Confident80Confident0 Ų062.2 Ų62.20%029%0.285CS..EExtended strand (participates in β ladder)trans-128.6122.4-179.6-175.90000110.3I109 L131 V136 I140 F156 L160 S168I109-V138 HydrophobicContact CB-CG1 4.45Å; I109-V138 HydrophobicContact CB-CG2 4.28Å; I109-V138 HydrophobicContact CD1-CG2 4.3Å; I109-V138 CarbonylContact O-C 3.57Å; I109-V138 WeakPolarHBondContact O-CA 3.46Å; L131-V138 HydrophobicContact CD1-CG2 4Å; V136-V138 HydrophobicContact CG1-CG2 4.13Å; V138-I140 HydrophobicContact CG1-CD1 4.49Å; V138-I140 HydrophobicContact CG1-CG1 4.03Å; V138-F156 HydrophobicContact CG1-CE1 4.37Å; V138-L160 HydrophobicContact CB-CD1 3.92Å; V138-L160 HydrophobicContact CG2-CD1 3.82Å; V138-S168 WeakPolarHBondContact CA-OG 3.37Å; V138-S168 PolarHBondContact N-OG 3.27Å; V138-S168 WeakPolarHBondContact O-CA 3.41Å; V138-S168 WeakPolarHBondContact O-CB 3.29Å; V138-S168 PolarHBondContact O-OG 2.8Å
139D87.1Confident79.4Confident0 Ų062.5 Ų62.50%029%0.287CS..EExtended strand (participates in β ladder)trans-113.6123.2-179.8-50.4-34.4000107.6R108 I109 I110 A111 H169R108-D139 VanDerWaalsContact CD-OD2 3.3Å; R108-D139 WeakPolarHBondContact CD-OD2 3.43Å; R108-D139 IonicContact CZ-OD2 2.77Å; R108-D139 IonicContact NE-OD2 2.64Å; R108-D139 VanDerWaalsContact NH1-CG 3.32Å; R108-D139 IonicContact NH1-OD1 3.17Å; R108-D139 PolarHBondContact NH1-OD1 3.1Å; R108-D139 IonicContact NH1-OD2 2.81Å; R108-D139 PolarHBondContact NH1-OD2 2.9Å; I109-D139 PolarHBondContact O-N 2.95Å; I110-D139 CarbonylContact C-O 3.12Å; I110-D139 WeakPolarHBondContact CA-O 3.22Å; I110-D139 HydrophobicContact CG1-CB 4.32Å; A111-D139 PolarHBondContact N-O 3.23Å; D139-H169 WeakPolarHBondContact CA-O 3.48Å; D139-H169 VanDerWaalsContact CB-CE1 3.43Å; D139-H169 WeakPolarHBondContact CB-CE1 3.41Å; D139-H169 IonicContact OD1-CE1 3.46Å; D139-H169 PolarHBondContact OD1-CE1 3.19Å; D139-H169 IonicContact OD1-CG 3.68Å; D139-H169 IonicContact OD1-ND1 3.64Å; D139-H169 PolarHBondContact OD1-ND1 3.16Å; D139-H169 IonicContact OD1-NE2 3.91Å; D139-H169 IonicContact OD2-CE1 2.99Å; D139-H169 PolarHBondContact OD2-CE1 3.33Å; D139-H169 IonicContact OD2-ND1 3.35Å; D139-H169 IonicContact OD2-NE2 3.19Å
140I86.3Confident78.8Confident0 Ų057.4 Ų57.40%027%0.267CS..EExtended strand (participates in β ladder)trans-112.6124.5-175.6-53.3-179000107F86 V113 V138 L153 F156 I157 H169 L170 V171F86-I140 HydrophobicContact CZ-CD1 3.89Å; V113-I140 HydrophobicContact CG2-CG2 4Å; V138-I140 HydrophobicContact CG1-CD1 4.49Å; V138-I140 HydrophobicContact CG1-CG1 4.03Å; I140-L153 HydrophobicContact CD1-CD2 3.92Å; I140-L153 HydrophobicContact CG2-CD1 4.05Å; I140-L153 HydrophobicContact CG2-CD2 4.35Å; I140-F156 HydrophobicContact CD1-CD1 3.87Å; I140-F156 HydrophobicContact CD1-CE1 4.12Å; I140-I157 HydrophobicContact CB-CD1 4.41Å; I140-I157 HydrophobicContact CD1-CD1 4.02Å; I140-I157 HydrophobicContact CD1-CG1 4.18Å; I140-I157 HydrophobicContact CG1-CD1 4.3Å; I140-H169 PolarHBondContact N-O 2.84Å; I140-L170 HydrophobicContact CB-CD1 3.86Å; I140-L170 HydrophobicContact CG2-CD1 4.01Å; I140-V171 PolarHBondContact O-N 3.43Å
141I85.3Confident78.6Confident0 Ų058.8 Ų58.80%028%0.279CS..EExtended strand (participates in β ladder)trans-111.9112.6176.3-47.1151.8000108I110 A111 F112 V113 F143 V171 V173 L183 I188I110-I141 HydrophobicContact CG2-CD1 3.55Å; I110-I141 HydrophobicContact CG2-CG1 4.45Å; A111-I141 PolarHBondContact O-N 2.77Å; F112-I141 HydrophobicContact CD1-CD1 4.04Å; F112-I141 HydrophobicContact CD2-CD1 4.31Å; F112-I141 HydrophobicContact CE1-CD1 3.55Å; F112-I141 HydrophobicContact CE2-CD1 3.9Å; F112-I141 HydrophobicContact CG-CD1 4.35Å; F112-I141 HydrophobicContact CZ-CD1 3.48Å; F112-I141 VanDerWaalsContact CZ-CD1 3.48Å; V113-I141 PolarHBondContact N-O 3.29Å; I141-F143 HydrophobicContact CB-CD2 4.44Å; I141-F143 HydrophobicContact CB-CE2 3.61Å; I141-F143 HydrophobicContact CB-CZ 3.99Å; I141-F143 HydrophobicContact CG2-CD1 4.47Å; I141-F143 HydrophobicContact CG2-CD2 4Å; I141-F143 HydrophobicContact CG2-CE1 3.79Å; I141-F143 HydrophobicContact CG2-CE2 3.16Å; I141-F143 HydrophobicContact CG2-CZ 3.11Å; I141-V171 CarbonylContact C-O 3.2Å; I141-V171 WeakPolarHBondContact CA-O 3.46Å; I141-V171 HydrophobicContact CG1-CB 4.34Å; I141-V171 HydrophobicContact CG2-CB 4.07Å; I141-V171 HydrophobicContact CG2-CG1 4.1Å; I141-V173 HydrophobicContact CG2-CG2 3.87Å; I141-L183 HydrophobicContact CD1-CD2 3.64Å; I141-L183 HydrophobicContact CG1-CD2 4.05Å; I141-L183 HydrophobicContact CG2-CD2 3.82Å; I141-I188 HydrophobicContact CD1-CD1 3.62Å; I141-I188 HydrophobicContact CG1-CD1 3.77Å
142N83.8Confident78.4Confident2 Ų261.4 Ų61.41%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-92.8130.1177.7-72.9-14.3000110V113 L153 V171 V173V113-N142 WeakPolarHBondContact O-CA 3.34Å; N142-L153 WeakPolarHBondContact ND2-CD1 3.35Å; N142-L153 WeakPolarHBondContact OD1-CD1 3.18Å; N142-V171 PolarHBondContact N-O 3.09Å; N142-V173 PolarHBondContact O-N 2.88Å
143F77.9Confident78.3Confident9 Ų956.4 Ų56.44%0.03927%0.269CS..EExtended strand (participates in β ladder)trans-125.4134.6175.5-59.1-80.7000110.9F21 R25 F112 V113 G114 I141 E145 V173 L179 L183F21-F143 HydrophobicContact CE2-CB 4.4Å; R25-F143 PolarHBondContact NH2-O 3.43Å; F112-F143 HydrophobicContact CB-CE2 4.38Å; F112-F143 HydrophobicContact CD1-CD2 4.3Å; F112-F143 AromaticContact CD1-CE2 3.29Å; F112-F143 HydrophobicContact CD1-CE2 3.29Å; F112-F143 AromaticContact CD1-CZ 3.8Å; F112-F143 HydrophobicContact CD1-CZ 3.8Å; F112-F143 AromaticContact CE1-CE2 3.86Å; F112-F143 HydrophobicContact CE1-CE2 3.86Å; F112-F143 AromaticContact CE1-CZ 3.89Å; F112-F143 HydrophobicContact CE1-CZ 3.89Å; F112-F143 HydrophobicContact CG-CE2 4.22Å; V113-F143 PolarHBondContact O-N 3.12Å; G114-F143 WeakPolarHBondContact CA-O 3.39Å; I141-F143 HydrophobicContact CB-CD2 4.44Å; I141-F143 HydrophobicContact CB-CE2 3.61Å; I141-F143 HydrophobicContact CB-CZ 3.99Å; I141-F143 HydrophobicContact CG2-CD1 4.47Å; I141-F143 HydrophobicContact CG2-CD2 4Å; I141-F143 HydrophobicContact CG2-CE1 3.79Å; I141-F143 HydrophobicContact CG2-CE2 3.16Å; I141-F143 HydrophobicContact CG2-CZ 3.11Å; F143-E145 PolarHBondContact O-N 3.48Å; F143-V173 HydrophobicContact CD1-CB 3.57Å; F143-V173 HydrophobicContact CD1-CG1 4.04Å; F143-V173 HydrophobicContact CD1-CG2 3.84Å; F143-V173 HydrophobicContact CE1-CB 3.71Å; F143-V173 HydrophobicContact CE1-CG1 4.09Å; F143-V173 HydrophobicContact CE1-CG2 3.46Å; F143-V173 VanDerWaalsContact CE1-CG2 3.46Å; F143-V173 HydrophobicContact CZ-CG2 4.22Å; F143-L179 HydrophobicContact CD1-CD1 3.73Å; F143-L179 HydrophobicContact CD1-CD2 3.26Å; F143-L179 HydrophobicContact CD1-CG 4.07Å; F143-L179 HydrophobicContact CE1-CB 4.14Å; F143-L179 HydrophobicContact CE1-CD1 3.8Å; F143-L179 HydrophobicContact CE1-CD2 3.44Å; F143-L179 VanDerWaalsContact CE1-CD2 3.44Å; F143-L179 HydrophobicContact CE1-CG 4.01Å; F143-L179 HydrophobicContact CG-CD1 4.4Å; F143-L179 HydrophobicContact CG-CD2 4.44Å; F143-L183 HydrophobicContact CZ-CD1 4.22Å; F143-L183 HydrophobicContact CZ-CD2 4.22Å; F143-L183 HydrophobicContact CZ-CG 4.43Å
144G70.3Confident78.2Confident23 Ų2350.3 Ų50.324%0.23725%0.247CC..SBendtrans91.9-80.6172.800000114.7
145E64.3Low78.2Confident85 Ų8549.9 Ų49.940%0.39725%0.252SS..  trans-103.698.6-171.8-163.2176.6175.900110.6F143 M148F143-E145 PolarHBondContact O-N 3.48Å; E145-M148 WeakPolarHBondContact OE1-CE 3.46Å
146E63.9Low78.3Confident60 Ų6041.3 Ų41.328%0.2822%0.215SC..  trans-82.9-37.1-176.7-69.9-179.6164.900112.5T150 T172 V173E146-T150 HydrophobicContact CB-CG2 4.1Å; E146-T150 WeakPolarHBondContact O-CB 3.35Å; E146-T150 WeakPolarHBondContact O-CG2 3.49Å; E146-T150 PolarHBondContact O-N 3.02Å; E146-T150 PolarHBondContact O-OG1 2.81Å; E146-T172 WeakPolarHBondContact OE1-CB 3.27Å; E146-V173 VanDerWaalsContact OE1-C 3.32Å
147E63Low78.2Confident175 Ų17541.7 Ų41.782%0.81822%0.217SC*.Hα-helixtrans-65.8-48.2-167.7-78.7-172.1152.100114.4
148M65.9Low78.1Confident127 Ų12744.8 Ų44.863%0.62623%0.233SC*.Hα-helixtrans-80-23-175.5-119.5-166-63.700113.8E145E145-M148 WeakPolarHBondContact OE1-CE 3.46Å
149N71.8Confident77.9Confident6 Ų647.4 Ų47.43%0.03225%0.249CC..Hα-helixtrans-99.5-31.9-169.8-156.518.4000112.5V113 E151 K152 L153V113-N149 VanDerWaalsContact CG1-ND2 3.29Å; V113-N149 WeakPolarHBondContact CG1-ND2 3.37Å; N149-E151 VanDerWaalsContact C-N 3.33Å; N149-E151 PolarHBondContact O-N 3.32Å; N149-K152 PolarHBondContact O-N 2.77Å; N149-L153 HydrophobicContact CB-CD1 4.34Å; N149-L153 VanDerWaalsContact CG-CD1 3.49Å; N149-L153 WeakPolarHBondContact O-CD1 3.42Å; N149-L153 VanDerWaalsContact O-CG 3.25Å; N149-L153 WeakPolarHBondContact O-CG 3.06Å; N149-L153 PolarHBondContact O-N 3.01Å; N149-L153 WeakPolarHBondContact OD1-CD1 3.22Å
150T75.8Confident77.6Confident32 Ų3248.1 Ų48.120%0.19625%0.253CS..Hα-helixtrans-62.6-36.5-175.850.80000113E146 L153 T154 T172E146-T150 HydrophobicContact CB-CG2 4.1Å; E146-T150 WeakPolarHBondContact O-CB 3.35Å; E146-T150 WeakPolarHBondContact O-CG2 3.49Å; E146-T150 PolarHBondContact O-N 3.02Å; E146-T150 PolarHBondContact O-OG1 2.81Å; T150-L153 PolarHBondContact O-N 2.65Å; T150-T154 WeakPolarHBondContact O-CB 3.35Å; T150-T154 PolarHBondContact O-N 3.08Å; T150-T154 PolarHBondContact O-OG1 3.32Å; T150-T172 HydrophobicContact CG2-CG2 3.7Å
151E79.5Confident77.1Confident150 Ų15050 Ų5070%0.70126%0.263SS*.Hα-helixtrans-62.1-48.7-179.2-64.6-172.3165.700112.4N149 L153 T154 A155N149-E151 VanDerWaalsContact C-N 3.33Å; N149-E151 PolarHBondContact O-N 3.32Å; E151-L153 PolarHBondContact O-N 3.39Å; E151-T154 PolarHBondContact O-N 2.86Å; E151-A155 PolarHBondContact O-N 3.22Å
152K81.8Confident76.4Confident57 Ų5752.1 Ų52.125%0.24829%0.285CS..Hα-helixtrans-64.7-41.6179.6-61.9-176.3-173.4-178.60111.8V117 D119 E121 N149 F156V117-K152 PolarHBondContact O-NZ 3.33Å; D119-K152 PolarHBondContact O-NZ 3.25Å; E121-K152 HydrophobicContact CG-CG 4.36Å; N149-K152 PolarHBondContact O-N 2.77Å; K152-F156 PolarHBondContact O-N 3.02Å
153L80.2Confident75Confident1 Ų162.1 Ų62.11%0.00533%0.329CS..Hα-helixtrans-74.4-33.9-178-62.8171.8000111.9F86 I140 N142 N149 T150 E151 F156 I157 L170F86-L153 HydrophobicContact CE1-CD2 4.24Å; F86-L153 HydrophobicContact CZ-CD2 4.27Å; I140-L153 HydrophobicContact CD1-CD2 3.92Å; I140-L153 HydrophobicContact CG2-CD1 4.05Å; I140-L153 HydrophobicContact CG2-CD2 4.35Å; N142-L153 WeakPolarHBondContact ND2-CD1 3.35Å; N142-L153 WeakPolarHBondContact OD1-CD1 3.18Å; N149-L153 HydrophobicContact CB-CD1 4.34Å; N149-L153 VanDerWaalsContact CG-CD1 3.49Å; N149-L153 WeakPolarHBondContact O-CD1 3.42Å; N149-L153 VanDerWaalsContact O-CG 3.25Å; N149-L153 WeakPolarHBondContact O-CG 3.06Å; N149-L153 PolarHBondContact O-N 3.01Å; N149-L153 WeakPolarHBondContact OD1-CD1 3.22Å; T150-L153 PolarHBondContact O-N 2.65Å; E151-L153 PolarHBondContact O-N 3.39Å; L153-F156 WeakPolarHBondContact O-CB 3.47Å; L153-F156 PolarHBondContact O-N 3.42Å; L153-I157 WeakPolarHBondContact O-CB 3.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.3Å; L153-L170 HydrophobicContact CB-CD1 4.13Å
154T83.1Confident73.8Confident55 Ų5570.7 Ų70.734%0.33737%0.369SS..Hα-helixtrans-65.6-43.8173-60.10000110.7T150 E151 F156 I157 N158T150-T154 WeakPolarHBondContact O-CB 3.35Å; T150-T154 PolarHBondContact O-N 3.08Å; T150-T154 PolarHBondContact O-OG1 3.32Å; E151-T154 PolarHBondContact O-N 2.86Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 3.16Å; T154-I157 PolarHBondContact O-N 3.41Å; T154-N158 VanDerWaalsContact O-CB 3.3Å; T154-N158 WeakPolarHBondContact O-CB 3.4Å; T154-N158 PolarHBondContact O-N 2.97Å; T154-N158 PolarHBondContact O-ND2 3.45Å
155A83.3Confident72.9Confident43 Ų4372 Ų7236%0.35538%0.382SS..Hα-helixtrans-59.7-42.7173.400000111.8E151 T159E151-A155 PolarHBondContact O-N 3.22Å; A155-T159 WeakPolarHBondContact O-CG2 3.25Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 VanDerWaalsContact O-N 3.13Å; A155-T159 PolarHBondContact O-OG1 2.87Å
156F83.5Confident72.6Confident1 Ų173.4 Ų73.40%0.00441%0.408CS..Hα-helixtrans-60.7-50.3175.8178.4-99.9000112.2I90 L124 M127 A128 L131 V138 I140 K152 L153 T154 N158 T159 L160I90-F156 HydrophobicContact CD1-CZ 4.01Å; L124-F156 HydrophobicContact CB-CD2 4Å; L124-F156 HydrophobicContact CD2-CB 4.19Å; L124-F156 HydrophobicContact CD2-CD2 3.67Å; L124-F156 HydrophobicContact CD2-CE2 4.23Å; L124-F156 HydrophobicContact CD2-CG 4.02Å; L124-F156 HydrophobicContact CG-CD2 4.49Å; L124-F156 WeakPolarHBondContact O-CD2 3.44Å; L124-F156 WeakPolarHBondContact O-CE2 3.41Å; M127-F156 HydrophobicContact CB-CE2 4.29Å; A128-F156 HydrophobicContact CB-CD2 3.83Å; A128-F156 HydrophobicContact CB-CE2 3.75Å; L131-F156 HydrophobicContact CD1-CE2 4.28Å; L131-F156 HydrophobicContact CD1-CZ 3.58Å; V138-F156 HydrophobicContact CG1-CE1 4.37Å; I140-F156 HydrophobicContact CD1-CD1 3.87Å; I140-F156 HydrophobicContact CD1-CE1 4.12Å; K152-F156 PolarHBondContact O-N 3.02Å; L153-F156 WeakPolarHBondContact O-CB 3.47Å; L153-F156 PolarHBondContact O-N 3.42Å; T154-F156 VanDerWaalsContact C-N 3.31Å; T154-F156 PolarHBondContact O-N 3.16Å; F156-N158 PolarHBondContact O-N 2.89Å; F156-T159 PolarHBondContact O-N 3.03Å; F156-T159 PolarHBondContact O-OG1 3.25Å; F156-L160 HydrophobicContact CE1-CD1 3.85Å; F156-L160 HydrophobicContact CZ-CD1 4.1Å; F156-L160 PolarHBondContact O-N 2.97Å
157I83.5Confident72.5Confident10 Ų1070.9 Ų70.95%0.05140%0.398CS..Hα-helixtrans-66-39.8-178.8-71.1167.9000111.5I140 L153 T154 T159 L160 N161 L170I140-I157 HydrophobicContact CB-CD1 4.41Å; I140-I157 HydrophobicContact CD1-CD1 4.02Å; I140-I157 HydrophobicContact CD1-CG1 4.18Å; I140-I157 HydrophobicContact CG1-CD1 4.3Å; L153-I157 WeakPolarHBondContact O-CB 3.3Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.3Å; T154-I157 PolarHBondContact O-N 3.41Å; I157-T159 VanDerWaalsContact C-N 3.28Å; I157-T159 PolarHBondContact O-N 3.06Å; I157-L160 WeakPolarHBondContact O-CB 3.48Å; I157-L160 PolarHBondContact O-N 2.85Å; I157-N161 VanDerWaalsContact CG2-ND2 3.29Å; I157-N161 WeakPolarHBondContact CG2-ND2 3.37Å; I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.89Å; I157-L170 HydrophobicContact CD1-CB 3.46Å; I157-L170 VanDerWaalsContact CD1-CB 3.46Å; I157-L170 HydrophobicContact CD1-CD1 3.78Å; I157-L170 HydrophobicContact CD1-CD2 4.49Å; I157-L170 HydrophobicContact CD1-CG 4.09Å
158N84.4Confident73.1Confident104 Ų10462.9 Ų62.956%0.55636%0.362SS*.Hα-helixtrans-59.6-39.6174.7-73.5-23.2000111.9T154 F156 L160 G162T154-N158 VanDerWaalsContact O-CB 3.3Å; T154-N158 WeakPolarHBondContact O-CB 3.4Å; T154-N158 PolarHBondContact O-N 2.97Å; T154-N158 PolarHBondContact O-ND2 3.45Å; F156-N158 PolarHBondContact O-N 2.89Å; N158-L160 VanDerWaalsContact C-N 3.32Å; N158-G162 PolarHBondContact O-N 3.02Å
159T81.4Confident73.9Confident55 Ų5558.1 Ų58.134%0.33734%0.338SS..Hα-helixtrans-70.7-28.7175.360.50000113.4A128 A155 F156 I157A128-T159 WeakPolarHBondContact CB-OG1 3.47Å; A155-T159 WeakPolarHBondContact O-CG2 3.25Å; A155-T159 PolarHBondContact O-N 3.08Å; A155-T159 VanDerWaalsContact O-N 3.13Å; A155-T159 PolarHBondContact O-OG1 2.87Å; F156-T159 PolarHBondContact O-N 3.03Å; F156-T159 PolarHBondContact O-OG1 3.25Å; I157-T159 VanDerWaalsContact C-N 3.28Å; I157-T159 PolarHBondContact O-N 3.06Å
160L81.5Confident74.4Confident16 Ų1660.2 Ų60.28%0.08435%0.349CS..Hα-helixtrans-76.4-47.9178.8-155.2160.2000111.1L131 V138 F156 I157 N158 S168L131-L160 HydrophobicContact CB-CD1 4.44Å; L131-L160 HydrophobicContact CD1-CD1 4.04Å; V138-L160 HydrophobicContact CB-CD1 3.92Å; V138-L160 HydrophobicContact CG2-CD1 3.82Å; F156-L160 HydrophobicContact CE1-CD1 3.85Å; F156-L160 HydrophobicContact CZ-CD1 4.1Å; F156-L160 PolarHBondContact O-N 2.97Å; I157-L160 WeakPolarHBondContact O-CB 3.48Å; I157-L160 PolarHBondContact O-N 2.85Å; N158-L160 VanDerWaalsContact C-N 3.32Å; L160-S168 VanDerWaalsContact CD2-OG 3.25Å; L160-S168 WeakPolarHBondContact CD2-OG 3.21Å
161N75.7Confident74.7Confident39 Ų3959 Ų5921%0.20934%0.341CS..Hα-helixtrans-67.3-37.9-176.9-76.2-18.4000113.6I157 G165 S168I157-N161 VanDerWaalsContact CG2-ND2 3.29Å; I157-N161 WeakPolarHBondContact CG2-ND2 3.37Å; I157-N161 WeakPolarHBondContact O-CB 3.49Å; I157-N161 PolarHBondContact O-N 2.89Å; N161-G165 PolarHBondContact OD1-O 3.28Å; N161-S168 PolarHBondContact ND2-O 2.84Å; N161-S168 VanDerWaalsContact OD1-CB 3.3Å; N161-S168 WeakPolarHBondContact OD1-CB 3.23Å; N161-S168 PolarHBondContact OD1-N 2.93Å; N161-S168 PolarHBondContact OD1-O 2.97Å
162G70.7Confident74.7Confident45 Ų4554.8 Ų54.846%0.46433%0.326SS..THydrogen-bonded Turntrans51.3-141.8173.700000115.4N158N158-G162 PolarHBondContact O-N 3.02Å
163K54.1Low74.5Confident212 Ų21252.2 Ų52.292%0.92232%0.315SS*.THydrogen-bonded Turntrans-92.8-14.8-176.2-70.4-172.7177.2-173.60115
164E52.4Low74Confident189 Ų18955.9 Ų55.988%0.88334%0.339SS*.SBendtrans-146.2110.4-178.3-85.2-176147.600107
165G51.7Low73.2Confident49 Ų4957.6 Ų57.651%0.50535%0.351SS..  trans13597.7166.900000113.2N161 G167N161-G165 PolarHBondContact OD1-O 3.28Å; G165-G167 PolarHBondContact O-N 2.83Å
166A57.9Low72.2Confident115 Ų11556.8 Ų56.895%0.9535%0.346SS*.THydrogen-bonded Turntrans-68.265.9154.200000109
167G62.3Low71.3Confident7 Ų761.2 Ų61.27%0.07238%0.375CS..THydrogen-bonded Turntrans-103.2-35.9-17500000112.9N137 G165N137-G167 WeakPolarHBondContact CB-O 3.23Å; N137-G167 WeakPolarHBondContact OD1-CA 2.87Å; G165-G167 PolarHBondContact O-N 2.83Å
168S74.9Confident70.4Confident8 Ų864 Ų646%0.05640%0.396CS..  trans-116.3134.3-177.5-80.80000112V138 L160 N161V138-S168 WeakPolarHBondContact CA-OG 3.37Å; V138-S168 PolarHBondContact N-OG 3.27Å; V138-S168 WeakPolarHBondContact O-CA 3.41Å; V138-S168 WeakPolarHBondContact O-CB 3.29Å; V138-S168 PolarHBondContact O-OG 2.8Å; L160-S168 VanDerWaalsContact CD2-OG 3.25Å; L160-S168 WeakPolarHBondContact CD2-OG 3.21Å; N161-S168 PolarHBondContact ND2-O 2.84Å; N161-S168 VanDerWaalsContact OD1-CB 3.3Å; N161-S168 WeakPolarHBondContact OD1-CB 3.23Å; N161-S168 PolarHBondContact OD1-N 2.93Å; N161-S168 PolarHBondContact OD1-O 2.97Å
169H81.7Confident69.5Low27 Ų2759.4 Ų59.413%0.12537%0.371CS..  trans-126.8142.7176.355.2-81.5000111.1D139 I140 P187 I188D139-H169 WeakPolarHBondContact CA-O 3.48Å; D139-H169 VanDerWaalsContact CB-CE1 3.43Å; D139-H169 WeakPolarHBondContact CB-CE1 3.41Å; D139-H169 IonicContact OD1-CE1 3.46Å; D139-H169 PolarHBondContact OD1-CE1 3.19Å; D139-H169 IonicContact OD1-CG 3.68Å; D139-H169 IonicContact OD1-ND1 3.64Å; D139-H169 PolarHBondContact OD1-ND1 3.16Å; D139-H169 IonicContact OD1-NE2 3.91Å; D139-H169 IonicContact OD2-CE1 2.99Å; D139-H169 PolarHBondContact OD2-CE1 3.33Å; D139-H169 IonicContact OD2-ND1 3.35Å; D139-H169 IonicContact OD2-NE2 3.19Å; I140-H169 PolarHBondContact N-O 2.84Å; H169-P187 HydrophobicContact CB-CG 4.15Å; H169-I188 WeakPolarHBondContact NE2-CA 3.42Å; H169-I188 WeakPolarHBondContact NE2-CG1 3.34Å; H169-I188 PolarHBondContact NE2-N 3.42Å; H169-I188 VanDerWaalsContact NE2-N 3.12Å
170L82.5Confident68.8Low49 Ų4958.3 Ų58.326%0.25737%0.368SS..EExtended strand (participates in β ladder)trans-97.5120.5169.1-168.957.6000107I140 L153 I157 T172I140-L170 HydrophobicContact CB-CD1 3.86Å; I140-L170 HydrophobicContact CG2-CD1 4.01Å; L153-L170 HydrophobicContact CB-CD1 4.13Å; I157-L170 HydrophobicContact CD1-CB 3.46Å; I157-L170 VanDerWaalsContact CD1-CB 3.46Å; I157-L170 HydrophobicContact CD1-CD1 3.78Å; I157-L170 HydrophobicContact CD1-CD2 4.49Å; I157-L170 HydrophobicContact CD1-CG 4.09Å; L170-T172 HydrophobicContact CD2-CG2 4.27Å; L170-T172 HydrophobicContact CG-CG2 4.16Å
171V82.8Confident68.1Low7 Ų762.4 Ų62.44%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-106.8113.7169.8-179.30000106.9I140 I141 N142 V173 S186 I188I140-V171 PolarHBondContact O-N 3.43Å; I141-V171 CarbonylContact C-O 3.2Å; I141-V171 WeakPolarHBondContact CA-O 3.46Å; I141-V171 HydrophobicContact CG1-CB 4.34Å; I141-V171 HydrophobicContact CG2-CB 4.07Å; I141-V171 HydrophobicContact CG2-CG1 4.1Å; N142-V171 PolarHBondContact N-O 3.09Å; V171-V173 HydrophobicContact CG1-CG2 3.85Å; V171-S186 WeakPolarHBondContact CG1-OG 3.47Å; V171-I188 HydrophobicContact CG2-CD1 4.25Å; V171-I188 HydrophobicContact CG2-CG1 4.22Å
172T78.9Confident67.7Low62 Ų6261.7 Ų61.738%0.3839%0.389SS..EExtended strand (participates in β ladder)trans-95.9118.8170.354.60000107.2E146 T150 L170E146-T172 WeakPolarHBondContact OE1-CB 3.27Å; T150-T172 HydrophobicContact CG2-CG2 3.7Å; L170-T172 HydrophobicContact CD2-CG2 4.27Å; L170-T172 HydrophobicContact CG-CG2 4.16Å
173V77.4Confident67.7Low2 Ų259.7 Ų59.71%0.01237%0.368CS..EExtended strand (participates in β ladder)trans-100.5113.7177.9-176.30000108.8I141 N142 F143 E146 V171 L179 A182I141-V173 HydrophobicContact CG2-CG2 3.87Å; N142-V173 PolarHBondContact O-N 2.88Å; F143-V173 HydrophobicContact CD1-CB 3.57Å; F143-V173 HydrophobicContact CD1-CG1 4.04Å; F143-V173 HydrophobicContact CD1-CG2 3.84Å; F143-V173 HydrophobicContact CE1-CB 3.71Å; F143-V173 HydrophobicContact CE1-CG1 4.09Å; F143-V173 HydrophobicContact CE1-CG2 3.46Å; F143-V173 VanDerWaalsContact CE1-CG2 3.46Å; F143-V173 HydrophobicContact CZ-CG2 4.22Å; E146-V173 VanDerWaalsContact OE1-C 3.32Å; V171-V173 HydrophobicContact CG1-CG2 3.85Å; V173-L179 HydrophobicContact CB-CD2 4.23Å; V173-L179 HydrophobicContact CG1-CD2 3.4Å; V173-A182 HydrophobicContact CB-CB 4.36Å; V173-A182 HydrophobicContact CG1-CB 3.57Å; V173-A182 HydrophobicContact CG2-CB 3.97Å
174P70.8Confident68.2Low79 Ų7953.7 Ų53.751%0.51335%0.345SS..  trans-62.1150.1178.724.4-32.7000110.3G176P174-G176 PolarHBondContact O-N 3.46Å
175P65.9Low68.6Low91 Ų9149.1 Ų49.159%0.59133%0.334SS*.SBendtrans-63.9109.3174.927.2-33.2000108.9
176G63.1Low69.2Low25 Ų2547.4 Ų47.426%0.25831%0.314SS..SBendtrans-165163.4-176.900000110.5F21 P174 S178F21-G176 WeakPolarHBondContact CD1-O 3.3Å; F21-G176 WeakPolarHBondContact CE1-O 3.47Å; P174-G176 PolarHBondContact O-N 3.46Å; G176-S178 PolarHBondContact O-N 2.91Å
177P63.5Low69.2Low95 Ų9544.8 Ų44.862%0.61729%0.288SS*.SBendtrans-66.5-10.4-167.424.1-33.3000115.8L22L22-P177 HydrophobicContact CD1-CB 4.18Å
178S63.9Low69.2Low69 Ų6944.6 Ų44.648%0.48329%0.285SS..  trans-128.185-170.6-58.90000113.4G176G176-S178 PolarHBondContact O-N 2.91Å
179L66.9Low68.5Low7 Ų745.6 Ų45.64%0.03729%0.289CS..Hα-helixtrans-64.7-40.4170.8-69.2-167.4000113.4F21 A28 F143 V173 D181 A182 L183F21-L179 HydrophobicContact CB-CD1 4.34Å; F21-L179 HydrophobicContact CB-CG 4.37Å; F21-L179 HydrophobicContact CD1-CD1 3.92Å; F21-L179 HydrophobicContact CD1-CD2 3.39Å; F21-L179 HydrophobicContact CD1-CG 3.32Å; F21-L179 HydrophobicContact CD2-CD1 3.68Å; F21-L179 HydrophobicContact CD2-CD2 4.21Å; F21-L179 HydrophobicContact CD2-CG 4.04Å; F21-L179 HydrophobicContact CE1-CD1 4.19Å; F21-L179 HydrophobicContact CE1-CD2 2.98Å; F21-L179 HydrophobicContact CE1-CG 3.53Å; F21-L179 HydrophobicContact CE2-CD1 3.92Å; F21-L179 HydrophobicContact CE2-CD2 3.84Å; F21-L179 HydrophobicContact CE2-CG 4.18Å; F21-L179 HydrophobicContact CG-CD1 3.67Å; F21-L179 HydrophobicContact CG-CD2 4.01Å; F21-L179 HydrophobicContact CG-CG 3.62Å; F21-L179 HydrophobicContact CZ-CD1 4.2Å; F21-L179 HydrophobicContact CZ-CD2 3.25Å; F21-L179 HydrophobicContact CZ-CG 3.97Å; A28-L179 HydrophobicContact CB-CB 4.4Å; A28-L179 HydrophobicContact CB-CD1 3.77Å; A28-L179 HydrophobicContact CB-CG 4.24Å; F143-L179 HydrophobicContact CD1-CD1 3.73Å; F143-L179 HydrophobicContact CD1-CD2 3.26Å; F143-L179 HydrophobicContact CD1-CG 4.07Å; F143-L179 HydrophobicContact CE1-CB 4.14Å; F143-L179 HydrophobicContact CE1-CD1 3.8Å; F143-L179 HydrophobicContact CE1-CD2 3.44Å; F143-L179 VanDerWaalsContact CE1-CD2 3.44Å; F143-L179 HydrophobicContact CE1-CG 4.01Å; F143-L179 HydrophobicContact CG-CD1 4.4Å; F143-L179 HydrophobicContact CG-CD2 4.44Å; V173-L179 HydrophobicContact CB-CD2 4.23Å; V173-L179 HydrophobicContact CG1-CD2 3.4Å; L179-D181 PolarHBondContact O-N 3.34Å; L179-A182 PolarHBondContact O-N 3.41Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.28Å; L179-L183 PolarHBondContact O-N 3.06Å; L179-L183 VanDerWaalsContact O-N 3.14Å
180A65.2Low67Low32 Ų3246.8 Ų46.826%0.26430%0.304SS..Hα-helixtrans-60.3-35.8-178.400000112.1I35 L183 L184I35-A180 HydrophobicContact CD1-CB 3.58Å; A180-L183 PolarHBondContact O-N 3.42Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CG 3.44Å; A180-L184 PolarHBondContact O-N 2.92Å
181D67.3Low65.2Low102 Ų10247 Ų4755%0.54532%0.319SS..Hα-helixtrans-79.1-37.1-175.9-160.126.5000112.4L179 L183 L184 S185L179-D181 PolarHBondContact O-N 3.34Å; D181-L183 PolarHBondContact O-N 2.89Å; D181-L184 PolarHBondContact O-N 3.48Å; D181-S185 PolarHBondContact O-N 3.26Å; D181-S185 PolarHBondContact O-OG 2.97Å
182A67.3Low63.5Low23 Ų2348.7 Ų48.719%0.1933%0.326CS..Hα-helixtrans-62.2-34.5170.300000111.7V173 L179 S185 S186V173-A182 HydrophobicContact CB-CB 4.36Å; V173-A182 HydrophobicContact CG1-CB 3.57Å; V173-A182 HydrophobicContact CG2-CB 3.97Å; L179-A182 PolarHBondContact O-N 3.41Å; A182-S185 WeakPolarHBondContact CA-OG 3.34Å; A182-S185 PolarHBondContact O-OG 2.89Å; A182-S185 VanDerWaalsContact O-OG 3.11Å; A182-S186 VanDerWaalsContact O-CB 3.23Å; A182-S186 WeakPolarHBondContact O-CB 3.41Å; A182-S186 PolarHBondContact O-N 2.93Å; A182-S186 PolarHBondContact O-OG 3.45Å
183L70.6Confident61.5Low3 Ų347.2 Ų47.22%0.01632%0.323CS..Hα-helixtrans-73.6-38.2174.9-70.6170.1000113A32 F112 I141 F143 L179 A180 D181 S185 S186 I188 L189A32-L183 HydrophobicContact CB-CD1 3.17Å; F112-L183 HydrophobicContact CE1-CD1 4.18Å; I141-L183 HydrophobicContact CD1-CD2 3.64Å; I141-L183 HydrophobicContact CG1-CD2 4.05Å; I141-L183 HydrophobicContact CG2-CD2 3.82Å; F143-L183 HydrophobicContact CZ-CD1 4.22Å; F143-L183 HydrophobicContact CZ-CD2 4.22Å; F143-L183 HydrophobicContact CZ-CG 4.43Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.28Å; L179-L183 PolarHBondContact O-N 3.06Å; L179-L183 VanDerWaalsContact O-N 3.14Å; A180-L183 PolarHBondContact O-N 3.42Å; D181-L183 PolarHBondContact O-N 2.89Å; L183-S185 VanDerWaalsContact C-N 3.33Å; L183-S186 WeakPolarHBondContact O-CB 3.41Å; L183-S186 PolarHBondContact O-N 3.34Å; L183-I188 HydrophobicContact CD2-CD1 3.48Å; L183-I188 VanDerWaalsContact CD2-CD1 3.48Å; L183-L189 WeakPolarHBondContact O-CD1 3.34Å
184L65.4Low59.6Low87 Ų8751.6 Ų51.646%0.45537%0.368SS..Hα-helixtrans-62.3-41175.8-76.9166.9000112I35 A180 D181 S186 L189I35-L184 HydrophobicContact CG2-CD2 3.71Å; I35-L184 HydrophobicContact CG2-CG 4.29Å; A180-L184 WeakPolarHBondContact O-CB 3.47Å; A180-L184 WeakPolarHBondContact O-CG 3.44Å; A180-L184 PolarHBondContact O-N 2.92Å; D181-L184 PolarHBondContact O-N 3.48Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 3.38Å; L184-L189 HydrophobicContact CD2-CD1 3.93Å
185S59.6Low58Low92 Ų9250.2 Ų50.264%0.64336%0.364SS*.SBendtrans-78.7-8.7175.753.70000113.8D181 A182 L183D181-S185 PolarHBondContact O-N 3.26Å; D181-S185 PolarHBondContact O-OG 2.97Å; A182-S185 WeakPolarHBondContact CA-OG 3.34Å; A182-S185 PolarHBondContact O-OG 2.89Å; A182-S185 VanDerWaalsContact O-OG 3.11Å; L183-S185 VanDerWaalsContact C-N 3.33Å
186S65.1Low56.7Low13 Ų1351.5 Ų51.59%0.09137%0.37CS..SBendtrans-85.5154.9-175-79.40000114.2V171 A182 L183 L184 I188 L189V171-S186 WeakPolarHBondContact CG1-OG 3.47Å; A182-S186 VanDerWaalsContact O-CB 3.23Å; A182-S186 WeakPolarHBondContact O-CB 3.41Å; A182-S186 PolarHBondContact O-N 2.93Å; A182-S186 PolarHBondContact O-OG 3.45Å; L183-S186 WeakPolarHBondContact O-CB 3.41Å; L183-S186 PolarHBondContact O-N 3.34Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 3.38Å; S186-I188 PolarHBondContact O-N 3.16Å; S186-L189 PolarHBondContact O-N 3.45Å
187P57.3Low56Low61 Ų6157.2 Ų57.240%0.39639%0.394SS..Hα-helixtrans-63.71.9-179.819.4-27.5000115.8H169 L189 G191H169-P187 HydrophobicContact CB-CG 4.15Å; P187-L189 PolarHBondContact O-N 3.01Å; P187-G191 WeakPolarHBondContact O-CA 3.16Å; P187-G191 PolarHBondContact O-N 3.33Å
188I62.3Low54.9Low2 Ų255.9 Ų55.91%0.0140%0.398CS..Hα-helixtrans-63.2-35.9171.3-51.7158.5000110.4I110 I141 H169 V171 L183 S186I110-I188 HydrophobicContact CD1-CG2 3.76Å; I141-I188 HydrophobicContact CD1-CD1 3.62Å; I141-I188 HydrophobicContact CG1-CD1 3.77Å; H169-I188 WeakPolarHBondContact NE2-CA 3.42Å; H169-I188 WeakPolarHBondContact NE2-CG1 3.34Å; H169-I188 PolarHBondContact NE2-N 3.42Å; H169-I188 VanDerWaalsContact NE2-N 3.12Å; V171-I188 HydrophobicContact CG2-CD1 4.25Å; V171-I188 HydrophobicContact CG2-CG1 4.22Å; L183-I188 HydrophobicContact CD2-CD1 3.48Å; L183-I188 VanDerWaalsContact CD2-CD1 3.48Å; S186-I188 PolarHBondContact O-N 3.16Å
189L60.3Low53.5Low29 Ų2960.7 Ų60.715%0.15242%0.417CS..Hα-helixtrans-98.9-41.7-178.9-63.5162.7000111S39 L183 L184 S186 P187S39-L189 WeakPolarHBondContact OG-CD2 3.1Å; L183-L189 WeakPolarHBondContact O-CD1 3.34Å; L184-L189 HydrophobicContact CD2-CD1 3.93Å; S186-L189 PolarHBondContact O-N 3.45Å; P187-L189 PolarHBondContact O-N 3.01Å
190A51Low52Low52 Ų5262 Ų6243%0.4343%0.432SS..Hα-helixtrans-78.4-17.7-179.800000114.1
191G44.2Very low50.7Low55 Ų5565.8 Ų65.857%0.56746%0.464SS*.THydrogen-bonded Turntrans-88.9-3.4-173.800000115.7P187P187-G191 WeakPolarHBondContact O-CA 3.16Å; P187-G191 PolarHBondContact O-N 3.33Å
192E48.4Very low49.2Very low41 Ų4166.2 Ų66.219%0.19248%0.475CS..THydrogen-bonded Turntrans-129.2-25.8-177.2-174.7152.5-163.300115.1K40 R108K40-E192 IonicContact NZ-OE2 2.84Å; K40-E192 PolarHBondContact NZ-OE2 3.14Å; R108-E192 IonicContact CZ-OE2 2.99Å; R108-E192 IonicContact NE-OE2 2.87Å; R108-E192 PolarHBondContact NE-OE2 3.42Å; R108-E192 IonicContact NH2-OE2 3.78Å; R108-E192 PolarHBondContact NH2-OE2 2.72Å
193G36.3Very low48.1Very low31 Ų3172 Ų7232%0.3250%0.502SS..SBendtrans-106132.8162.400000107.7A195G193-A195 PolarHBondContact O-N 2.85Å
194G36.3Very low46.9Very low94 Ų9477.7 Ų77.797%0.96953%0.527SS*.  trans-63.857.415600000110.7
195A38.1Very low46.3Very low50 Ų5082.4 Ų82.441%0.41355%0.547SS..  trans-10294.5160.500000103.8G193 L197G193-A195 PolarHBondContact O-N 2.85Å; A195-L197 HydrophobicContact CB-CD1 4.49Å; A195-L197 HydrophobicContact CB-CG 4.42Å; A195-L197 PolarHBondContact O-N 2.99Å
196V39.7Very low46.1Very low119 Ų11985 Ų8572%0.72155%0.547SS*.  trans-58.382.2158.8170.40000106.6L199V196-L199 HydrophobicContact CG1-CB 4.17Å
197L46.8Very low45.9Very low144 Ų14487.9 Ų87.975%0.75458%0.578SS**  trans-95.884.5158.3-76.1168.2000104.6A195A195-L197 HydrophobicContact CB-CD1 4.49Å; A195-L197 HydrophobicContact CB-CG 4.42Å; A195-L197 PolarHBondContact O-N 2.99Å
198G40Very low46Very low68 Ų6886.5 Ų86.570%0.70157%0.569SS**SBendtrans141.214.8168.400000119.4
199L36.2Very low46.2Very low169 Ų16990.3 Ų90.389%0.88559%0.589SS**SBendtrans-131.643.7165.8-81.3169000111.6V196V196-L199 HydrophobicContact CG1-CB 4.17Å
200G34.6Very low46.5Very low34 Ų3492 Ų9235%0.35160%0.602SS.*  trans-15018.6-18000000114.3S202 D203G200-S202 PolarHBondContact O-N 3.27Å; G200-D203 PolarHBondContact O-N 2.96Å
201A37.4Very low47.5Very low113 Ų11394.3 Ų94.393%0.93462%0.615SS**THydrogen-bonded Turntrans-71.122.7174.100000113.3
202S36.6Very low48.9Very low111 Ų11195.1 Ų95.178%0.77662%0.616SS**THydrogen-bonded Turntrans-144.816.1179.7650000113.8G200G200-S202 PolarHBondContact O-N 3.27Å
203D43.6Very low50.3Low143 Ų14397.4 Ų97.477%0.76563%0.629SS**THydrogen-bonded Turntrans-142.1-0.3174.4-144.836.4000114.7G200G200-D203 PolarHBondContact O-N 2.96Å
204F45.7Very low52.3Low123 Ų12399.6 Ų99.654%0.53964%0.638SS.*  trans-113.673.2166.7-77.8-68.4000110F206 G207 V208 P210F204-F206 PolarHBondContact O-N 3.37Å; F204-G207 PolarHBondContact O-N 3.43Å; F204-V208 WeakPolarHBondContact CD1-O 3.27Å; F204-P210 HydrophobicContact CE1-CG 3.55Å; F204-P210 HydrophobicContact CZ-CG 4.25Å
205E52Low54.3Low186 Ų186102.7 Ų102.787%0.86963%0.628SS**THydrogen-bonded Turntrans-62.3-13.7-173.3-167.7165.317400114.2
206F57.2Low56.1Low147 Ų147103.9 Ų103.965%0.64563%0.627SS**THydrogen-bonded Turntrans-125.67.8179.9-155.2-105.5000115.2F204 V208 L220F204-F206 PolarHBondContact O-N 3.37Å; F206-V208 HydrophobicContact CD1-CG2 3.67Å; F206-V208 HydrophobicContact CE1-CG2 4.34Å; F206-V208 PolarHBondContact O-N 3.31Å; F206-V208 VanDerWaalsContact O-N 3.11Å; F206-L220 HydrophobicContact CB-CD1 4.25Å; F206-L220 HydrophobicContact CD1-CD1 3.4Å; F206-L220 HydrophobicContact CD1-CD2 4.13Å; F206-L220 HydrophobicContact CD1-CG 4.43Å; F206-L220 HydrophobicContact CE1-CD1 3.99Å; F206-L220 HydrophobicContact CE1-CD2 4.1Å; F206-L220 HydrophobicContact CG-CD1 4.02Å; F206-L220 HydrophobicContact CZ-CD2 4.48Å
207G60.5Low58Low73 Ų7399.6 Ų99.675%0.75360%0.603SS**  trans6317.1178.600000115.3F204F204-G207 PolarHBondContact O-N 3.43Å
208V58.6Low59.5Low32 Ų3297.8 Ų97.819%0.19459%0.594CS.*  trans-99.9123.4177.2172.90000108.9F204 F206 P210 L216 L220F204-V208 WeakPolarHBondContact CD1-O 3.27Å; F206-V208 HydrophobicContact CD1-CG2 3.67Å; F206-V208 HydrophobicContact CE1-CG2 4.34Å; F206-V208 PolarHBondContact O-N 3.31Å; F206-V208 VanDerWaalsContact O-N 3.11Å; V208-P210 WeakPolarHBondContact O-CD 3.44Å; V208-L216 HydrophobicContact CG1-CB 4.45Å; V208-L216 HydrophobicContact CG1-CD2 3.91Å; V208-L216 HydrophobicContact CG1-CG 4.18Å; V208-L216 HydrophobicContact CG2-CD2 3.8Å; V208-L216 HydrophobicContact CG2-CG 4.47Å; V208-L220 HydrophobicContact CB-CD1 4.35Å; V208-L220 HydrophobicContact CG2-CD1 4.05Å
209D66.2Low61.6Low83 Ų8397 Ų9744%0.44458%0.581SS.*  trans-78.5114.9175.2-177.1-8.9000109.9S211 A212 D213D209-S211 PolarHBondContact O-N 3.04Å; D209-S211 VanDerWaalsContact O-N 3.1Å; D209-S211 WeakPolarHBondContact OD1-CB 3.24Å; D209-S211 PolarHBondContact OD1-N 3.11Å; D209-S211 PolarHBondContact OD1-OG 3.18Å; D209-S211 PolarHBondContact OD2-OG 3.25Å; D209-A212 HydrophobicContact CB-CB 3.92Å; D209-A212 PolarHBondContact O-N 3.31Å; D209-A212 VanDerWaalsContact O-N 3.09Å; D209-D213 PolarHBondContact O-N 3.33Å
210P67.1Low63.8Low65 Ų6591.3 Ų91.342%0.42255%0.551SS.*THydrogen-bonded Turntrans-63-16.1-179.8-21.333.1000113.8F204 V208 A217F204-P210 HydrophobicContact CE1-CG 3.55Å; F204-P210 HydrophobicContact CZ-CG 4.25Å; V208-P210 WeakPolarHBondContact O-CD 3.44Å; P210-A217 HydrophobicContact CB-CB 4.25Å
211S71.8Confident66Low99 Ų9998.2 Ų98.269%0.69257%0.567SS**THydrogen-bonded Turntrans-89.5-24176.771.40000113.3D209D209-S211 PolarHBondContact O-N 3.04Å; D209-S211 VanDerWaalsContact O-N 3.1Å; D209-S211 WeakPolarHBondContact OD1-CB 3.24Å; D209-S211 PolarHBondContact OD1-N 3.11Å; D209-S211 PolarHBondContact OD1-OG 3.18Å; D209-S211 PolarHBondContact OD2-OG 3.25Å
212A73.9Confident68.4Low72 Ų7297.1 Ų97.160%0.59555%0.548SS*.THydrogen-bonded Turntrans-85.3-34.5-179.700000112.4D209D209-A212 HydrophobicContact CB-CB 3.92Å; D209-A212 PolarHBondContact O-N 3.31Å; D209-A212 VanDerWaalsContact O-N 3.09Å
213D77.9Confident70.6Confident89 Ų8994.7 Ų94.748%0.47653%0.531SS..  trans-145.882.6-178.2-122.3-20.8000112D209 E215 L216 A217D209-D213 PolarHBondContact O-N 3.33Å; D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.41Å; D213-L216 HydrophobicContact CB-CB 4.17Å; D213-L216 PolarHBondContact O-N 3.32Å; D213-A217 PolarHBondContact O-N 3.48Å
214P77.5Confident72.5Confident78 Ų7893.1 Ų93.151%0.50652%0.52SS..Hα-helixtrans-65.6-27.9-174.625.7-34.1000113.1L218P214-L218 WeakPolarHBondContact O-CG 3.35Å; P214-L218 PolarHBondContact O-N 2.95Å; P214-L218 VanDerWaalsContact O-N 3.09Å
215E78.9Confident74.3Confident159 Ų15993.6 Ų93.674%0.74352%0.524SS*.Hα-helixtrans-68.1-40.2176.5-65.4-166.2143.900111.8D213 L218 A219D213-E215 VanDerWaalsContact C-N 3.26Å; D213-E215 PolarHBondContact O-N 3.41Å; E215-L218 PolarHBondContact O-N 3.31Å; E215-A219 WeakPolarHBondContact O-CB 3.45Å; E215-A219 PolarHBondContact O-N 2.87Å
216L76.7Confident75.8Confident75 Ų7589.4 Ų89.439%0.39351%0.505SS..Hα-helixtrans-71.6-37.3178-17462.1000111.7V208 D213 L218 A219 L220V208-L216 HydrophobicContact CG1-CB 4.45Å; V208-L216 HydrophobicContact CG1-CD2 3.91Å; V208-L216 HydrophobicContact CG1-CG 4.18Å; V208-L216 HydrophobicContact CG2-CD2 3.8Å; V208-L216 HydrophobicContact CG2-CG 4.47Å; D213-L216 HydrophobicContact CB-CB 4.17Å; D213-L216 PolarHBondContact O-N 3.32Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L216-A219 PolarHBondContact O-N 2.97Å; L216-L220 HydrophobicContact CG-CD1 4.3Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.48Å
217A79.8Confident77Confident28 Ų2887.8 Ų87.823%0.23150%0.499CS..Hα-helixtrans-63-40.8174.900000112.1P210 D213 R221P210-A217 HydrophobicContact CB-CB 4.25Å; D213-A217 PolarHBondContact O-N 3.48Å; A217-R221 WeakPolarHBondContact O-CB 3.34Å; A217-R221 PolarHBondContact O-N 2.92Å; A217-R221 VanDerWaalsContact O-N 3.12Å
218L78.4Confident78.1Confident107 Ų10792 Ų9256%0.5649%0.492SS*.Hα-helixtrans-65.3-45.5173-76.7168.4000111.5P214 E215 L216 L220 R221 V222P214-L218 WeakPolarHBondContact O-CG 3.35Å; P214-L218 PolarHBondContact O-N 2.95Å; P214-L218 VanDerWaalsContact O-N 3.09Å; E215-L218 PolarHBondContact O-N 3.31Å; L216-L218 VanDerWaalsContact C-N 3.35Å; L218-L220 VanDerWaalsContact C-N 3.35Å; L218-L220 PolarHBondContact O-N 2.9Å; L218-R221 PolarHBondContact O-N 3.26Å; L218-V222 WeakPolarHBondContact O-CB 3.31Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 2.99Å
219A83.8Confident79.2Confident52 Ų5296.3 Ų96.343%0.4351%0.51SS..Hα-helixtrans-59.8-42.5179.300000112.6E215 L216 V222 S223E215-A219 WeakPolarHBondContact O-CB 3.45Å; E215-A219 PolarHBondContact O-N 2.87Å; L216-A219 PolarHBondContact O-N 2.97Å; A219-V222 PolarHBondContact O-N 2.9Å; A219-S223 VanDerWaalsContact O-CB 3.27Å; A219-S223 WeakPolarHBondContact O-CB 3.22Å; A219-S223 PolarHBondContact O-N 2.88Å
220L81.6Confident80Confident48 Ų48100.5 Ų100.525%0.25152%0.52SS..Hα-helixtrans-68.6-39.7177.4-72.1170.7000112.3F206 V208 L216 L218 S223 M224F206-L220 HydrophobicContact CB-CD1 4.25Å; F206-L220 HydrophobicContact CD1-CD1 3.4Å; F206-L220 HydrophobicContact CD1-CD2 4.13Å; F206-L220 HydrophobicContact CD1-CG 4.43Å; F206-L220 HydrophobicContact CE1-CD1 3.99Å; F206-L220 HydrophobicContact CE1-CD2 4.1Å; F206-L220 HydrophobicContact CG-CD1 4.02Å; F206-L220 HydrophobicContact CZ-CD2 4.48Å; V208-L220 HydrophobicContact CB-CD1 4.35Å; V208-L220 HydrophobicContact CG2-CD1 4.05Å; L216-L220 HydrophobicContact CG-CD1 4.3Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.48Å; L218-L220 VanDerWaalsContact C-N 3.35Å; L218-L220 PolarHBondContact O-N 2.9Å; L220-S223 PolarHBondContact O-N 3.41Å; L220-M224 WeakPolarHBondContact O-CB 3.35Å; L220-M224 WeakPolarHBondContact O-CG 3.44Å; L220-M224 PolarHBondContact O-N 3.19Å
221R81.4Confident80.7Confident180 Ų180103.9 Ų103.968%0.67953%0.53SS*.Hα-helixtrans-61.4-46.8174.3179.7173.6-76.8158.4-3.2111.1A217 L218 S223 M224 E225A217-R221 WeakPolarHBondContact O-CB 3.34Å; A217-R221 PolarHBondContact O-N 2.92Å; A217-R221 VanDerWaalsContact O-N 3.12Å; L218-R221 PolarHBondContact O-N 3.26Å; R221-S223 VanDerWaalsContact C-N 3.33Å; R221-S223 PolarHBondContact O-N 2.91Å; R221-M224 PolarHBondContact O-N 3.34Å; R221-E225 WeakPolarHBondContact O-CB 3.35Å; R221-E225 PolarHBondContact O-N 3.43Å
222V86.6Confident81.1Confident89 Ų89103.7 Ų103.754%0.53952%0.518SS..Hα-helixtrans-62-41.3176.2171.80000110.8L218 A219 E225 E226L218-V222 WeakPolarHBondContact O-CB 3.31Å; L218-V222 VanDerWaalsContact O-CG2 3.28Å; L218-V222 WeakPolarHBondContact O-CG2 3.37Å; L218-V222 PolarHBondContact O-N 2.99Å; A219-V222 PolarHBondContact O-N 2.9Å; V222-E225 PolarHBondContact O-N 3.48Å; V222-E226 WeakPolarHBondContact O-CB 3.48Å; V222-E226 PolarHBondContact O-N 2.93Å
223S83.2Confident81.3Confident60 Ų60104.5 Ų104.542%0.4251%0.513SS..Hα-helixtrans-69.7-35.9-179.1-156.10000113A219 L220 R221 Q227A219-S223 VanDerWaalsContact O-CB 3.27Å; A219-S223 WeakPolarHBondContact O-CB 3.22Å; A219-S223 PolarHBondContact O-N 2.88Å; L220-S223 PolarHBondContact O-N 3.41Å; R221-S223 VanDerWaalsContact C-N 3.33Å; R221-S223 PolarHBondContact O-N 2.91Å; S223-Q227 WeakPolarHBondContact O-CB 3.47Å; S223-Q227 PolarHBondContact O-N 3.4Å
224M83.5Confident81.4Confident110 Ų110107.1 Ų107.154%0.54252%0.522SS..Hα-helixtrans-70.4-39.3174.2-73.2-70.8-8500112.1L220 R221 Q227 R228L220-M224 WeakPolarHBondContact O-CB 3.35Å; L220-M224 WeakPolarHBondContact O-CG 3.44Å; L220-M224 PolarHBondContact O-N 3.19Å; R221-M224 PolarHBondContact O-N 3.34Å; M224-Q227 PolarHBondContact O-N 2.98Å; M224-R228 WeakPolarHBondContact O-CB 3.33Å; M224-R228 PolarHBondContact O-N 2.87Å
225E83.4Confident81.4Confident133 Ų133106.3 Ų106.362%0.62152%0.521SS*.Hα-helixtrans-68.6-39.4176.7-168.2152.9-145.300111.6R221 V222 R228 Q229R221-E225 WeakPolarHBondContact O-CB 3.35Å; R221-E225 PolarHBondContact O-N 3.43Å; V222-E225 PolarHBondContact O-N 3.48Å; E225-R228 PolarHBondContact O-N 3.47Å; E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 PolarHBondContact O-N 3.37Å
226E84.4Confident81.3Confident98 Ų98107.3 Ų107.346%0.45852%0.519SS..Hα-helixtrans-64.8-40.7173-170.5-175.117200112V222 Q229 R230V222-E226 WeakPolarHBondContact O-CB 3.48Å; V222-E226 PolarHBondContact O-N 2.93Å; E226-Q229 PolarHBondContact O-N 3.43Å; E226-R230 PolarHBondContact O-N 2.87Å
227Q82.2Confident81.4Confident114 Ų114113.4 Ų113.453%0.53354%0.536SS..Hα-helixtrans-65.1-41.8174.4-89-174-32.500112.2S223 M224 Q229 R230 Q231S223-Q227 WeakPolarHBondContact O-CB 3.47Å; S223-Q227 PolarHBondContact O-N 3.4Å; M224-Q227 PolarHBondContact O-N 2.98Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q227-R230 PolarHBondContact O-N 2.75Å; Q227-Q231 WeakPolarHBondContact O-CG 3.39Å; Q227-Q231 PolarHBondContact O-N 2.79Å
228R83Confident81.3Confident162 Ų162114.8 Ų114.861%0.61155%0.548SS*.Hα-helixtrans-62.2-43.6175.4-176.9-174.8157.11304110.9M224 E225 R230 Q231 E232M224-R228 WeakPolarHBondContact O-CB 3.33Å; M224-R228 PolarHBondContact O-N 2.87Å; E225-R228 PolarHBondContact O-N 3.47Å; R228-R230 PolarHBondContact O-N 3.33Å; R228-Q231 PolarHBondContact O-N 3.39Å; R228-E232 IonicContact CZ-OE1 2.91Å; R228-E232 IonicContact NE-OE1 3.08Å; R228-E232 PolarHBondContact NE-OE1 3.42Å; R228-E232 IonicContact NH2-OE1 3.79Å; R228-E232 PolarHBondContact NH2-OE1 2.88Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.8Å
229Q82.3Confident81Confident121 Ų121112.2 Ų112.257%0.56554%0.542SS*.Hα-helixtrans-65.7-38.2178.9-161167.945.600111.8E225 E226 Q227 E232 D233E225-Q229 WeakPolarHBondContact O-CB 3.45Å; E225-Q229 PolarHBondContact O-N 3.37Å; E226-Q229 PolarHBondContact O-N 3.43Å; Q227-Q229 VanDerWaalsContact C-N 3.34Å; Q229-E232 PolarHBondContact O-N 3.46Å; Q229-D233 WeakPolarHBondContact O-CB 3.35Å; Q229-D233 PolarHBondContact O-N 2.82Å
230R82.9Confident80.5Confident172 Ų172114.2 Ų114.265%0.64955%0.549SS*.Hα-helixtrans-62-42.8170.5-85.8-167.6176171.65.5112.9E226 Q227 R228 E232 D233 E234E226-R230 PolarHBondContact O-N 2.87Å; Q227-R230 PolarHBondContact O-N 2.75Å; R228-R230 PolarHBondContact O-N 3.33Å; R230-E232 VanDerWaalsContact C-N 3.33Å; R230-D233 PolarHBondContact O-N 2.89Å; R230-E234 VanDerWaalsContact O-CB 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.1Å; R230-E234 PolarHBondContact O-N 3.44Å
231Q82.4Confident80Confident135 Ų135114.6 Ų114.663%0.63156%0.559SS**Hα-helixtrans-65.2-38.8176.6-72.9178.410.800111.5Q227 R228 A235Q227-Q231 WeakPolarHBondContact O-CG 3.39Å; Q227-Q231 PolarHBondContact O-N 2.79Å; R228-Q231 PolarHBondContact O-N 3.39Å; Q231-A235 WeakPolarHBondContact O-CB 3.42Å; Q231-A235 PolarHBondContact O-N 2.85Å
232E79.9Confident79.1Confident96 Ų96109.4 Ų109.445%0.44955%0.55SS.*Hα-helixtrans-67.8-39.8176.2-73.7178.8-176.600111.9R228 Q229 R230 A235 R236R228-E232 IonicContact CZ-OE1 2.91Å; R228-E232 IonicContact NE-OE1 3.08Å; R228-E232 PolarHBondContact NE-OE1 3.42Å; R228-E232 IonicContact NH2-OE1 3.79Å; R228-E232 PolarHBondContact NH2-OE1 2.88Å; R228-E232 WeakPolarHBondContact O-CG 3.45Å; R228-E232 PolarHBondContact O-N 2.8Å; Q229-E232 PolarHBondContact O-N 3.46Å; R230-E232 VanDerWaalsContact C-N 3.33Å; E232-A235 PolarHBondContact O-N 3.41Å; E232-R236 WeakPolarHBondContact O-CB 3.04Å; E232-R236 PolarHBondContact O-N 2.81Å
233D78.6Confident77.8Confident89 Ų89108.5 Ų108.548%0.47655%0.552SS.*Hα-helixtrans-69.7-37.6175.6-81.4-25.7000112.4Q229 R230 R236 R237Q229-D233 WeakPolarHBondContact O-CB 3.35Å; Q229-D233 PolarHBondContact O-N 2.82Å; R230-D233 PolarHBondContact O-N 2.89Å; D233-R236 PolarHBondContact O-N 2.87Å; D233-R237 WeakPolarHBondContact O-CB 3.43Å; D233-R237 WeakPolarHBondContact O-CG 3.38Å; D233-R237 PolarHBondContact O-N 3.11Å
234E79.1Confident76.7Confident144 Ų144109.3 Ų109.367%0.67356%0.562SS**Hα-helixtrans-70.4-39.1174.8-165.2165.9-164.600111R230 R237 A238R230-E234 VanDerWaalsContact O-CB 3.27Å; R230-E234 WeakPolarHBondContact O-CB 3.1Å; R230-E234 PolarHBondContact O-N 3.44Å; E234-R237 PolarHBondContact O-N 3.21Å; E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 3.27Å
235A78.1Confident75.1Confident60 Ų60112.5 Ų112.550%0.49658%0.576SS.*Hα-helixtrans-66.3-37.2171.800000112Q231 E232 A238 A239Q231-A235 WeakPolarHBondContact O-CB 3.42Å; Q231-A235 PolarHBondContact O-N 2.85Å; E232-A235 PolarHBondContact O-N 3.41Å; A235-A238 PolarHBondContact O-N 2.95Å; A235-A239 VanDerWaalsContact O-CB 3.22Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 3.41Å
236R76.8Confident73.3Confident181 Ų181109.5 Ų109.568%0.68357%0.573SS**Hα-helixtrans-70.7-39.3175.5-170.8178-179.3-165.61.4111.2E232 D233 A239 V240E232-R236 WeakPolarHBondContact O-CB 3.04Å; E232-R236 PolarHBondContact O-N 2.81Å; D233-R236 PolarHBondContact O-N 2.87Å; R236-A239 PolarHBondContact O-N 3.31Å; R236-V240 WeakPolarHBondContact O-CB 3.3Å; R236-V240 VanDerWaalsContact O-CG2 3.22Å; R236-V240 WeakPolarHBondContact O-CG2 3.28Å; R236-V240 PolarHBondContact O-N 3.44Å
237R77.3Confident71.3Confident202 Ų202112.2 Ų112.276%0.76259%0.591SS**Hα-helixtrans-65.9-40.7171.9-80.2-177.7177.6178.62.3111.9D233 E234 V240 A241D233-R237 WeakPolarHBondContact O-CB 3.43Å; D233-R237 WeakPolarHBondContact O-CG 3.38Å; D233-R237 PolarHBondContact O-N 3.11Å; E234-R237 PolarHBondContact O-N 3.21Å; R237-V240 PolarHBondContact O-N 3.32Å; R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.45Å; R237-A241 PolarHBondContact O-N 3.04Å
238A77.8Confident69Low58 Ų58114.1 Ų114.148%0.47960%0.603SS.*Hα-helixtrans-65.2-39.8173.900000111.6E234 A235 A241 S242E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.33Å; E234-A238 PolarHBondContact O-N 3.27Å; A235-A238 PolarHBondContact O-N 2.95Å; A238-A241 PolarHBondContact O-N 2.73Å; A238-S242 WeakPolarHBondContact O-CB 3.48Å; A238-S242 PolarHBondContact O-N 3.13Å; A238-S242 PolarHBondContact O-OG 3.35Å
239A71.9Confident66.7Low52 Ų52111.4 Ų111.443%0.4361%0.609SS.*Hα-helixtrans-64.8-43.8175.200000111.7A235 R236 S242 A243A235-A239 VanDerWaalsContact O-CB 3.22Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 3.41Å; R236-A239 PolarHBondContact O-N 3.31Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-N 3.26Å; A239-S242 PolarHBondContact O-OG 3.37Å; A239-A243 WeakPolarHBondContact O-CB 3.36Å; A239-A243 PolarHBondContact O-N 3.2Å
240V74.1Confident64.2Low95 Ų95110.8 Ų110.858%0.57662%0.618SS**Hα-helixtrans-66.9-38.3175.9172.80000111.6R236 R237 A243 A244R236-V240 WeakPolarHBondContact O-CB 3.3Å; R236-V240 VanDerWaalsContact O-CG2 3.22Å; R236-V240 WeakPolarHBondContact O-CG2 3.28Å; R236-V240 PolarHBondContact O-N 3.44Å; R237-V240 PolarHBondContact O-N 3.32Å; V240-A243 PolarHBondContact O-N 3.26Å; V240-A244 WeakPolarHBondContact O-CB 3.3Å; V240-A244 PolarHBondContact O-N 3.22Å
241A70.4Confident62Low56 Ų56107.8 Ų107.846%0.46362%0.621SS.*Hα-helixtrans-64.2-42.417300000111.7R237 A238 A244 E245R237-A241 VanDerWaalsContact O-CB 3.31Å; R237-A241 WeakPolarHBondContact O-CB 3.45Å; R237-A241 PolarHBondContact O-N 3.04Å; A238-A241 PolarHBondContact O-N 2.73Å; A241-A244 PolarHBondContact O-N 3.03Å; A241-E245 PolarHBondContact O-N 3.39Å; A241-E245 VanDerWaalsContact O-N 3.11Å
242S63.4Low59.5Low71 Ų71108.2 Ų108.250%0.49763%0.632SS.*Hα-helixtrans-68.9-31.2176.569.50000113.3A238 A239A238-S242 WeakPolarHBondContact O-CB 3.48Å; A238-S242 PolarHBondContact O-N 3.13Å; A238-S242 PolarHBondContact O-OG 3.35Å; A239-S242 WeakPolarHBondContact CA-OG 3.27Å; A239-S242 PolarHBondContact O-N 3.26Å; A239-S242 PolarHBondContact O-OG 3.37Å
243A60.1Low57.2Low70 Ų70107.5 Ų107.558%0.57964%0.643SS**Hα-helixtrans-74.4-29.7173.200000112.5A239 V240A239-A243 WeakPolarHBondContact O-CB 3.36Å; A239-A243 PolarHBondContact O-N 3.2Å; V240-A243 PolarHBondContact O-N 3.26Å
244A60.1Low55.3Low76 Ų76111.1 Ų111.163%0.62866%0.663SS**Hα-helixtrans-74.9-27.6174.600000113.1V240 A241V240-A244 WeakPolarHBondContact O-CB 3.3Å; V240-A244 PolarHBondContact O-N 3.22Å; A241-A244 PolarHBondContact O-N 3.03Å
245E48.6Very low53.5Low178 Ų178112.8 Ų112.883%0.83267%0.67SS**Hα-helixtrans-77-18.2173.6-75.4-173.5156.900113.4A241 N247A241-E245 PolarHBondContact O-N 3.39Å; A241-E245 VanDerWaalsContact O-N 3.11Å; E245-N247 VanDerWaalsContact C-N 3.35Å; E245-N247 PolarHBondContact O-N 3.13Å
246A46.6Very low51.8Low69 Ų69114.7 Ų114.757%0.5768%0.68SS**SBendtrans-93.442.9-179.700000113.9I248A246-I248 PolarHBondContact O-N 2.78Å
247N41.3Very low50.3Low155 Ų155114 Ų11483%0.82969%0.685SS**  trans-56.8102.5-176.4-158.111.3000113.2E245E245-N247 VanDerWaalsContact C-N 3.35Å; E245-N247 PolarHBondContact O-N 3.13Å
248I35.1Very low48.8Very low155 Ų155109.3 Ų109.380%0.79568%0.675SS**  trans-137.5134.8169.7-50.3176000110.3A246A246-I248 PolarHBondContact O-N 2.78Å
249S33Very low47.4Very low104 Ų104109.9 Ų109.973%0.72768%0.679SS**  trans-51.5150.6-166580000119.5
250S31.2Very low46.2Very low108 Ų108114.8 Ų114.876%0.75570%0.697SS**  trans-58.3156.8162.663.60000112.8
251P37Very low45Very low110 Ų110116.2 Ų116.271%0.71470%0.701SS**  -150.6159.475.342.7-23.5000117.2
252V28.8Very low43.7Very low143 Ų143119.8 Ų119.887%0.86771%0.706SS**  trans67.3134.7157.7-141.60000120.5
253A31.9Very low42.7Very low82 Ų82124.5 Ų124.568%0.67872%0.722SS**  trans10887.6158.400000116.5E255A253-E255 PolarHBondContact O-N 2.98Å
254D39.3Very low41.8Very low165 Ų165125.6 Ų125.688%0.88273%0.726SS**  trans-39.9118134.9-82.7-48.8000108.9
255E40Very low41.1Very low178 Ų178127.7 Ų127.783%0.83273%0.731SS**  trans168.47.1151.9-97.9-176.2159.200115.9A253A253-E255 PolarHBondContact O-N 2.98Å
256S44.1Very low40.4Very low100 Ų100123.4 Ų123.470%0.69972%0.72SS**SBendtrans-114.114.7-174.952.70000117
257E44.2Very low40Very low168 Ų168129.3 Ų129.379%0.78574%0.736SS**SBendtrans-114.2-12.3171.829.1-150.4131.200113.5
258D45.1Very low39.5Very low103 Ų103126.6 Ų126.655%0.55174%0.735SS**SBendtrans-88.9-6.7175.6-133.2-59.5000113.4K262D258-K262 IonicContact OD1-NZ 2.8Å; D258-K262 PolarHBondContact OD1-NZ 3.28Å
259A48.5Very low39.1Very low69 Ų69127.3 Ų127.357%0.5774%0.74SS**SBendtrans-95.4-23.3-176.600000114.6
260L47.6Very low38.9Very low156 Ų156127.5 Ų127.582%0.81774%0.742SS**SBendtrans-84.6-22.4174.9-93.1162.2000113
261L47.7Very low39.2Very low125 Ų125129.5 Ų129.565%0.65475%0.749SS**SBendtrans-86.5-12.4175.5-94.2152.6000114S264 V265L261-S264 PolarHBondContact O-OG 2.91Å; L261-V265 WeakPolarHBondContact O-CG2 3.47Å
262K43.4Very low38.9Very low131 Ų131128.8 Ų128.857%0.5775%0.752SS**SBendtrans-94-15.9178.5-90.1174178.9128.70115D258 S264 V265 S266D258-K262 IonicContact OD1-NZ 2.8Å; D258-K262 PolarHBondContact OD1-NZ 3.28Å; K262-S264 VanDerWaalsContact C-N 3.33Å; K262-V265 PolarHBondContact O-N 3.14Å; K262-S266 PolarHBondContact O-OG 3.2Å
263M43.9Very low39.3Very low169 Ų169127.9 Ų127.983%0.83375%0.749SS**SBendtrans-81.5-13.1176.8-160.1161.7-178.100113.2
264S40Very low39.6Very low94 Ų94128.8 Ų128.866%0.65776%0.757SS**SBendtrans-93.2-7.4171.146.70000113.9L261 K262L261-S264 PolarHBondContact O-OG 2.91Å; K262-S264 VanDerWaalsContact C-N 3.33Å
265V45.6Very low40.2Very low120 Ų120127.6 Ų127.673%0.72775%0.75SS**SBendtrans-119.231.5-175.2-166.20000111.9L261 K262L261-V265 WeakPolarHBondContact O-CG2 3.47Å; K262-V265 PolarHBondContact O-N 3.14Å
266S34.5Very low40.9Very low88 Ų88121.9 Ų121.962%0.61573%0.728SS**SBendtrans-132.727.7175.843.60000113.9K262K262-S266 PolarHBondContact O-OG 3.2Å
267H38.2Very low40.9Very low192 Ų192122 Ų12289%0.88972%0.721SS**SBendtrans-138.865.8164.1-139.170.7000112.3
268A30.5Very low41.4Very low99 Ų99118.5 Ų118.582%0.81870%0.703SS**  trans-155.783.5160.600000109.2
269D27.5Very low42.1Very low169 Ų169118.8 Ų118.890%0.90471%0.713SS**  trans-125.887158.9-152.610.2000108.1
270S28.8Very low42.4Very low108 Ų108126.3 Ų126.376%0.75573%0.727SS**SBendtrans-172.194157.956.30000111.3
271V37Very low42.6Very low151 Ų151122.5 Ų122.592%0.91571%0.706SS**  trans41.597.5145.9-167.20000118.4
272A29.8Very low43.7Very low94 Ų94121.2 Ų121.278%0.77770%0.703SS**  trans-166.3154.4156.100000110.8
273P37Very low44.5Very low124 Ų124122.2 Ų122.281%0.80571%0.71SS**PPolyproline II helixtrans-75.5154-162.532.4-33.8000113.3L275P273-L275 PolarHBondContact O-N 2.73Å
274A39.1Very low45.5Very low102 Ų102122.1 Ų122.184%0.84371%0.708SS**PPolyproline II helixtrans-53.7124.3-171.100000114.7
275L51.4Low47Very low140 Ų140122.5 Ų122.573%0.73370%0.699SS**PPolyproline II helixtrans-79.2135.5167.1-70.7164.6000110P273P273-L275 PolarHBondContact O-N 2.73Å
276P54.5Low48.4Very low58 Ų58120.2 Ų120.238%0.37768%0.68SS.*PPolyproline II helixtrans-70.3147.4171.7-15.329.4000112.6F278 Y289P276-F278 WeakPolarHBondContact O-CD2 3.46Å; P276-F278 WeakPolarHBondContact O-CE2 3.35Å; P276-F278 PolarHBondContact O-N 3.38Å; P276-Y289 HydrophobicContact CG-CE2 4.49Å
277D45.7Very low50Low102 Ų102121 Ų12155%0.54568%0.677SS.*  trans-77.1105.7178.3-177.54.6000111.4S279D277-S279 PolarHBondContact O-N 2.87Å; D277-S279 VanDerWaalsContact O-N 3.14Å; D277-S279 WeakPolarHBondContact OD1-CB 3.03Å; D277-S279 PolarHBondContact OD1-N 2.84Å; D277-S279 PolarHBondContact OD1-OG 3.17Å
278F53.1Low51.6Low95 Ų95114.6 Ų114.642%0.41766%0.657SS.*G310 helixtrans-66-9.5-176.6-67.1-82000114.7P276 R280 Q286 Y289P276-F278 WeakPolarHBondContact O-CD2 3.46Å; P276-F278 WeakPolarHBondContact O-CE2 3.35Å; P276-F278 PolarHBondContact O-N 3.38Å; F278-R280 PolarHBondContact O-N 3.16Å; F278-Q286 HydrophobicContact CD1-CG 4.43Å; F278-Q286 PolarHBondContact O-NE2 3.2Å; F278-Q286 VanDerWaalsContact O-NE2 3.09Å; F278-Y289 AromaticContact CE1-CD1 4Å; F278-Y289 HydrophobicContact CE1-CD1 4Å; F278-Y289 HydrophobicContact CE1-CE1 4.28Å; F278-Y289 HydrophobicContact CZ-CD1 4.14Å; F278-Y289 AromaticContact CZ-CE1 3.95Å; F278-Y289 HydrophobicContact CZ-CE1 3.95Å
279S60.3Low53.8Low108 Ų108113.8 Ų113.876%0.75563%0.633SS**G310 helixtrans-78.7-7.1-176.9-45.70000113.6D277D277-S279 PolarHBondContact O-N 2.87Å; D277-S279 VanDerWaalsContact O-N 3.14Å; D277-S279 WeakPolarHBondContact OD1-CB 3.03Å; D277-S279 PolarHBondContact OD1-N 2.84Å; D277-S279 PolarHBondContact OD1-OG 3.17Å
280R55.4Low56Low227 Ų227108.3 Ų108.386%0.85761%0.611SS**G310 helixtrans-118.9-0.4-176.1-69.6-173.6173.3-177.70.3115.2F278F278-R280 PolarHBondContact O-N 3.16Å
281M50.5Low58.2Low77 Ų77109.1 Ų109.138%0.37961%0.606SS.*SBendtrans-101.5144.5179.6-73.7-176.4124.300111.5E285 Q286M281-E285 HydrophobicContact CB-CB 4.32Å; M281-E285 HydrophobicContact CE-CB 4.27Å; M281-Q286 HydrophobicContact CB-CG 4.15Å; M281-Q286 PolarHBondContact O-NE2 3.3Å
282T71.8Confident59.8Low98 Ų98107.8 Ų107.860%0.60159%0.59SS**  trans-72.9152.6173.6490000110.8E284 E285 Q286T282-E284 PolarHBondContact O-N 3.33Å; T282-E284 VanDerWaalsContact O-N 3.13Å; T282-E285 PolarHBondContact O-N 3.31Å; T282-Q286 PolarHBondContact O-N 3.17Å
283E60.7Low61.6Low152 Ų152109.3 Ų109.371%0.7158%0.583SS**Hα-helixtrans-52.3-37.1-172.8-171.1177171.800113.6E285 Q286 I287E283-E285 PolarHBondContact O-N 3.27Å; E283-Q286 PolarHBondContact O-N 2.97Å; E283-I287 HydrophobicContact CG-CD1 4.26Å; E283-I287 WeakPolarHBondContact O-CG1 2.99Å; E283-I287 PolarHBondContact O-N 3.03Å; E283-I287 VanDerWaalsContact O-N 3.1Å
284E65.3Low62.9Low167 Ų167107.3 Ų107.378%0.7857%0.572SS**Hα-helixtrans-66.4-33.1176.3-96164143.900114T282 A288T282-E284 PolarHBondContact O-N 3.33Å; T282-E284 VanDerWaalsContact O-N 3.13Å; E284-A288 PolarHBondContact O-N 2.64Å
285E71.4Confident63.9Low102 Ų102110 Ų11048%0.47757%0.569SS.*Hα-helixtrans-73.4-31174.8-76.5-175.3149.600111.8M281 T282 E283 Y289M281-E285 HydrophobicContact CB-CB 4.32Å; M281-E285 HydrophobicContact CE-CB 4.27Å; T282-E285 PolarHBondContact O-N 3.31Å; E283-E285 PolarHBondContact O-N 3.27Å; E285-Y289 WeakPolarHBondContact O-CB 3.33Å; E285-Y289 PolarHBondContact O-N 3.24Å; E285-Y289 VanDerWaalsContact O-N 3.12Å
286Q74.2Confident63.9Low71 Ų71110.7 Ų110.733%0.33257%0.568SS.*Hα-helixtrans-69.7-39.7176.4-61.1-17718.500111.5F278 M281 T282 E283 Y289 A290F278-Q286 HydrophobicContact CD1-CG 4.43Å; F278-Q286 PolarHBondContact O-NE2 3.2Å; F278-Q286 VanDerWaalsContact O-NE2 3.09Å; M281-Q286 HydrophobicContact CB-CG 4.15Å; M281-Q286 PolarHBondContact O-NE2 3.3Å; T282-Q286 PolarHBondContact O-N 3.17Å; E283-Q286 PolarHBondContact O-N 2.97Å; Q286-Y289 PolarHBondContact O-N 3.21Å; Q286-A290 PolarHBondContact O-N 3.3Å
287I66.9Low63.4Low106 Ų106111.2 Ų111.254%0.54458%0.584SS.*Hα-helixtrans-66-41.5177-64.7164.1000110.8E283 Y289 A290 L291E283-I287 HydrophobicContact CG-CD1 4.26Å; E283-I287 WeakPolarHBondContact O-CG1 2.99Å; E283-I287 PolarHBondContact O-N 3.03Å; E283-I287 VanDerWaalsContact O-N 3.1Å; I287-Y289 PolarHBondContact O-N 3.46Å; I287-A290 PolarHBondContact O-N 2.84Å; I287-L291 WeakPolarHBondContact O-CB 3.41Å; I287-L291 PolarHBondContact O-N 2.99Å
288A73.8Confident63.2Low56 Ų56110.5 Ų110.546%0.46359%0.593SS.*Hα-helixtrans-63.3-40.6176.400000112.3E284 L291 Q292E284-A288 PolarHBondContact O-N 2.64Å; A288-L291 PolarHBondContact O-N 3.15Å; A288-Q292 WeakPolarHBondContact O-CB 3.34Å; A288-Q292 PolarHBondContact O-N 3.26Å
289Y76.7Confident62.4Low83 Ų83109.1 Ų109.133%0.32561%0.605SS.*Hα-helixtrans-65.6-41.8177.3-172.5-102.4000112.4P276 F278 E285 Q286 I287 Q292 M293P276-Y289 HydrophobicContact CG-CE2 4.49Å; F278-Y289 AromaticContact CE1-CD1 4Å; F278-Y289 HydrophobicContact CE1-CD1 4Å; F278-Y289 HydrophobicContact CE1-CE1 4.28Å; F278-Y289 HydrophobicContact CZ-CD1 4.14Å; F278-Y289 AromaticContact CZ-CE1 3.95Å; F278-Y289 HydrophobicContact CZ-CE1 3.95Å; E285-Y289 WeakPolarHBondContact O-CB 3.33Å; E285-Y289 PolarHBondContact O-N 3.24Å; E285-Y289 VanDerWaalsContact O-N 3.12Å; Q286-Y289 PolarHBondContact O-N 3.21Å; I287-Y289 PolarHBondContact O-N 3.46Å; Y289-Q292 PolarHBondContact O-N 3.44Å; Y289-M293 PolarHBondContact O-N 3.37Å
290A73.7Confident61.3Low54 Ų54108.7 Ų108.745%0.44661%0.608SS.*Hα-helixtrans-65.4-37.8175.900000112.8Q286 I287 M293 S294Q286-A290 PolarHBondContact O-N 3.3Å; I287-A290 PolarHBondContact O-N 2.84Å; A290-M293 PolarHBondContact O-N 3.08Å; A290-S294 WeakPolarHBondContact O-CB 3.49Å; A290-S294 PolarHBondContact O-N 2.95Å; A290-S294 PolarHBondContact O-OG 2.96Å
291L74.7Confident60.1Low125 Ų125107.2 Ų107.265%0.65461%0.611SS**Hα-helixtrans-66.7-41175.4-172.265.1000111.5I287 A288 S294 M295I287-L291 WeakPolarHBondContact O-CB 3.41Å; I287-L291 PolarHBondContact O-N 2.99Å; A288-L291 PolarHBondContact O-N 3.15Å; L291-S294 WeakPolarHBondContact O-CB 3.38Å; L291-S294 PolarHBondContact O-N 3.42Å; L291-M295 PolarHBondContact O-N 2.92Å
292Q70.4Confident59.1Low123 Ų123113.1 Ų113.158%0.57564%0.635SS**Hα-helixtrans-64.4-40.6176.5-175.7170.5-5.800112.2A288 Y289 S294 M295 Q296A288-Q292 WeakPolarHBondContact O-CB 3.34Å; A288-Q292 PolarHBondContact O-N 3.26Å; Y289-Q292 PolarHBondContact O-N 3.44Å; Q292-S294 VanDerWaalsContact C-N 3.33Å; Q292-M295 PolarHBondContact O-N 2.87Å; Q292-Q296 WeakPolarHBondContact O-CB 3.25Å; Q292-Q296 PolarHBondContact O-N 2.97Å
293M66.6Low57Low125 Ų125114.7 Ų114.762%0.61664%0.644SS**Hα-helixtrans-68.6-34.2176.5-154.3179.7177.900111.8Y289 A290 M295 Q296 G297Y289-M293 PolarHBondContact O-N 3.37Å; A290-M293 PolarHBondContact O-N 3.08Å; M293-M295 VanDerWaalsContact C-N 3.33Å; M293-Q296 PolarHBondContact O-N 2.98Å; M293-G297 PolarHBondContact O-N 2.91Å
294S64.8Low55.6Low83 Ų83110.6 Ų110.658%0.5864%0.642SS**Hα-helixtrans-66-34172.6-61.70000112.4A290 L291 Q292A290-S294 WeakPolarHBondContact O-CB 3.49Å; A290-S294 PolarHBondContact O-N 2.95Å; A290-S294 PolarHBondContact O-OG 2.96Å; L291-S294 WeakPolarHBondContact O-CB 3.38Å; L291-S294 PolarHBondContact O-N 3.42Å; Q292-S294 VanDerWaalsContact C-N 3.33Å
295M59.9Low53.7Low158 Ų158111.4 Ų111.478%0.77865%0.646SS**Hα-helixtrans-75.9-30.7175.1-135178100.700112.4L291 Q292 M293L291-M295 PolarHBondContact O-N 2.92Å; Q292-M295 PolarHBondContact O-N 2.87Å; M293-M295 VanDerWaalsContact C-N 3.33Å
296Q52.4Low51.9Low155 Ų155116.1 Ų116.172%0.72467%0.668SS**Hα-helixtrans-83.3-18.6178.8-157155.53300113.3Q292 M293Q292-Q296 WeakPolarHBondContact O-CB 3.25Å; Q292-Q296 PolarHBondContact O-N 2.97Å; M293-Q296 PolarHBondContact O-N 2.98Å
297G43.2Very low49.9Very low69 Ų69120.4 Ų120.471%0.71169%0.69SS**SBendtrans-81.4-10.7168.900000114.8M293M293-G297 PolarHBondContact O-N 2.91Å
298A41.7Very low48.2Very low87 Ų87122.6 Ų122.672%0.71970%0.703SS**SBendtrans-98.132.6179.200000112.9
299G35.7Very low46Very low66 Ų66124.8 Ų124.868%0.6871%0.711SS**  trans-135.543.9-170.500000114.7
300A36.9Very low43.8Very low98 Ų98124.1 Ų124.181%0.8173%0.729SS**SBendtrans-161.665161.900000111.9
301E31.7Very low41.7Very low196 Ų196125.4 Ų125.492%0.91674%0.739SS**SBendtrans166.676.2146-95-175.8179.700109.6
302F27.8Very low39.7Very low202 Ų202127 Ų12789%0.88675%0.749SS**  trans-163.2100.8145.6-154.5-103.5000108.3G304F302-G304 PolarHBondContact O-N 2.89Å
303V28.8Very low37.9Very low131 Ų131129.2 Ų129.279%0.79476%0.763SS**  trans-70.8123.1168.6172.90000106.9E305V303-E305 PolarHBondContact O-N 2.85Å
304G31Very low35.9Very low66 Ų66130.4 Ų130.468%0.6877%0.772SS**  trans-69.6122.7168.900000110.4F302F302-G304 PolarHBondContact O-N 2.89Å
305E26Very low34.2Very low184 Ų184130.3 Ų130.386%0.8678%0.776SS**  trans-117.3120153.6-98-179.1151.800107.8V303V303-E305 PolarHBondContact O-N 2.85Å
306E32.8Very low32.7Very low200 Ų200128 Ų12894%0.93578%0.775SS**  trans-59.8129.9166-59.9-169.8154.300109
307M32.5Very low31.6Very low162 Ų162129.3 Ų129.380%0.79878%0.782SS**  trans-127.595.4171.9-171.9159.2165.600109.6T309M307-T309 HydrophobicContact CE-CG2 3.25Å; M307-T309 HydrophobicContact CG-CG2 3.89Å; M307-T309 HydrophobicContact SD-CG2 4.41Å
308D30.7Very low31Very low152 Ų152130.3 Ų130.381%0.81378%0.783SS**  trans-48.7124.4145.2175.427.3000110.1
309T27.4Very low30.8Very low102 Ų102133.4 Ų133.463%0.62678%0.78SS**  trans-144.491.8157.753.10000110.5M307M307-T309 HydrophobicContact CE-CG2 3.25Å; M307-T309 HydrophobicContact CG-CG2 3.89Å; M307-T309 HydrophobicContact SD-CG2 4.41Å
310G31.9Very low30.7Very low69 Ų69136.9 Ų136.971%0.71178%0.783SS**  trans-72.4122.5132.200000109.5
311A28.6Very low30.7Very low80 Ų80138.4 Ų138.466%0.66177%0.774SS**  trans165.1118.7143.600000110.6
312D32.2Very low31.2Very low160 Ų160137.2 Ų137.286%0.85677%0.768SS**  trans5191.9137.8-51.4-31.6000118.7D314D312-D314 PolarHBondContact O-N 2.87Å
313I32.5Very low32Very low169 Ų169134 Ų13487%0.86776%0.76SS**  trans-84.6103.7154.3-62.3176000107.3A315I313-A315 PolarHBondContact O-N 3.18Å; I313-A315 VanDerWaalsContact O-N 3.08Å
314D24.8Very low32.8Very low149 Ų149136.2 Ų136.280%0.79776%0.755SS**  trans-53.8102166.8-170.324.4000109.8D312 S316D312-D314 PolarHBondContact O-N 2.87Å; D314-S316 PolarHBondContact O-N 3.41Å
315A29.1Very low33.8Very low81 Ų81138 Ų13867%0.66975%0.749SS**  trans-75.595.8171.600000108.4I313 E317I313-A315 PolarHBondContact O-N 3.18Å; I313-A315 VanDerWaalsContact O-N 3.08Å; A315-E317 VanDerWaalsContact C-N 3.31Å; A315-E317 PolarHBondContact O-N 3.01Å
316S29.6Very low35.2Very low110 Ų110132.7 Ų132.777%0.76973%0.73SS**  trans-69.192.8163.159.30000108.9D314 A318D314-S316 PolarHBondContact O-N 3.41Å; S316-A318 PolarHBondContact O-N 3.39Å
317E28.3Very low36.3Very low183 Ų183129.8 Ų129.886%0.85572%0.718SS**  trans-56.597.8167.5-69.8-177.3156.100110.2A315A315-E317 VanDerWaalsContact C-N 3.31Å; A315-E317 PolarHBondContact O-N 3.01Å
318A31Very low37.4Very low89 Ų89127.3 Ų127.374%0.73670%0.704SS**  trans-94.8114152.300000106.8S316 D320S316-A318 PolarHBondContact O-N 3.39Å; A318-D320 PolarHBondContact O-N 3.1Å; A318-D320 VanDerWaalsContact O-N 3.16Å
319K36.5Very low39.1Very low152 Ų152124.6 Ų124.666%0.66169%0.69SS**  trans-62.7106.5179.6-68.7177.1159-123.10111.2E321K319-E321 HydrophobicContact CB-CG 4.34Å; K319-E321 IonicContact NZ-OE1 3.77Å; K319-E321 IonicContact NZ-OE2 2.77Å; K319-E321 PolarHBondContact NZ-OE2 2.83Å
320D33.6Very low40.8Very low140 Ų140123.1 Ų123.175%0.74968%0.682SS**  trans-10473.6152.1-71.4-35.8000107.4A318 E322A318-D320 PolarHBondContact O-N 3.1Å; A318-D320 VanDerWaalsContact O-N 3.16Å; D320-E322 VanDerWaalsContact C-N 3.34Å
321E37.8Very low42.2Very low130 Ų130127.5 Ų127.561%0.60768%0.684SS**  trans-87.66.5179.5-75.5-176.5144.200113.1K319K319-E321 HydrophobicContact CB-CG 4.34Å; K319-E321 IonicContact NZ-OE1 3.77Å; K319-E321 IonicContact NZ-OE2 2.77Å; K319-E321 PolarHBondContact NZ-OE2 2.83Å
322E41.9Very low44.1Very low171 Ų171128.4 Ų128.480%0.79967%0.673SS**SBendtrans-100.9-16.5-175.8-66.8-170.1-178.900115.2D320D320-E322 VanDerWaalsContact C-N 3.34Å
323D44.2Very low45.8Very low135 Ų135123.6 Ų123.672%0.72265%0.647SS**SBendtrans-89.6-12.9-177.9-91.4-12.7000114.3
324Y46.3Very low47.3Very low176 Ų176120.7 Ų120.769%0.6963%0.629SS**SBendtrans-91.2-13.9-179.1-83.1-82.8000114.7Q328Y324-Q328 PolarHBondContact O-NE2 3.28Å
325D51.4Low49.5Very low103 Ų103115.9 Ų115.955%0.55161%0.607SS**SBendtrans-84.8-27.5179.6-89-9000112.8M327 Q328D325-M327 VanDerWaalsContact C-N 3.27Å; D325-M327 PolarHBondContact O-N 3.01Å; D325-Q328 WeakPolarHBondContact O-CB 3.32Å; D325-Q328 PolarHBondContact O-N 3.38Å; D325-Q328 VanDerWaalsContact O-N 3.08Å; D325-Q328 PolarHBondContact OD1-NE2 2.89Å
326V55.6Low51.4Low74 Ų74115 Ų11545%0.44859%0.593SS.*G310 helixtrans-68.3-27.8-179.8-174.40000112.2Q328V326-Q328 PolarHBondContact O-N 3.01Å
327M55.9Low53Low139 Ų139112.3 Ų112.369%0.68557%0.571SS**G310 helixtrans-76.3-8.7175.5-67.3-167.6-179.800113.6D325D325-M327 VanDerWaalsContact C-N 3.27Å; D325-M327 PolarHBondContact O-N 3.01Å
328Q56Low54.9Low109 Ų109111.5 Ų111.551%0.50957%0.567SS.*G310 helixtrans-96.7-8.1-178.9-63174.548.500112.9Y324 D325 V326 P330Y324-Q328 PolarHBondContact O-NE2 3.28Å; D325-Q328 WeakPolarHBondContact O-CB 3.32Å; D325-Q328 PolarHBondContact O-N 3.38Å; D325-Q328 VanDerWaalsContact O-N 3.08Å; D325-Q328 PolarHBondContact OD1-NE2 2.89Å; V326-Q328 PolarHBondContact O-N 3.01Å; Q328-P330 WeakPolarHBondContact O-CD 3.43Å
329D66.8Low56.8Low96 Ų96113.6 Ų113.651%0.51357%0.565SS.*  trans-74.7116.2-178.2-92.7-22.7000111.6E331 F332 L333D329-E331 PolarHBondContact O-N 2.93Å; D329-F332 HydrophobicContact CB-CB 3.97Å; D329-F332 PolarHBondContact O-N 3.38Å; D329-L333 PolarHBondContact O-N 3.05Å
330P62.3Low58.1Low71 Ų71111 Ų11146%0.46156%0.559SS.*Hα-helixtrans-68.7-23.9-174.528.1-34.8000112.7Q328 Q334Q328-P330 WeakPolarHBondContact O-CD 3.43Å; P330-Q334 WeakPolarHBondContact O-CG 3.35Å; P330-Q334 PolarHBondContact O-N 3.45Å
331E62.4Low59.1Low161 Ų161110.9 Ų110.975%0.75257%0.565SS**Hα-helixtrans-77.9-35.1176.6-62.1-166.9161.100111.9D329 Q334 S335D329-E331 PolarHBondContact O-N 2.93Å; E331-Q334 PolarHBondContact O-N 3.14Å; E331-S335 PolarHBondContact O-N 3.46Å; E331-S335 VanDerWaalsContact O-N 3.1Å
332F68.9Low60Low99 Ų99108.5 Ų108.543%0.43458%0.576SS.*Hα-helixtrans-67.6-44.8177.7-177.8-108.3000111.1D329 Q334 S335 V336D329-F332 HydrophobicContact CB-CB 3.97Å; D329-F332 PolarHBondContact O-N 3.38Å; F332-Q334 VanDerWaalsContact C-N 3.29Å; F332-Q334 PolarHBondContact O-N 3.31Å; F332-S335 PolarHBondContact O-N 3.49Å; F332-S335 VanDerWaalsContact O-N 3.13Å; F332-S335 PolarHBondContact O-OG 3.35Å; F332-V336 HydrophobicContact CD1-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 4.07Å; F332-V336 HydrophobicContact CE2-CG2 4.35Å; F332-V336 HydrophobicContact CZ-CG2 4.02Å; F332-V336 WeakPolarHBondContact O-CG2 3.08Å; F332-V336 PolarHBondContact O-N 3.09Å
333L66.7Low61.4Low58 Ų58103.2 Ų103.230%0.30456%0.555SS.*Hα-helixtrans-62.3-34175.7-69.4175000112.8D329 L337D329-L333 PolarHBondContact O-N 3.05Å; L333-L337 WeakPolarHBondContact O-CB 3.15Å; L333-L337 PolarHBondContact O-N 2.86Å
334Q64.3Low62.1Low108 Ų108102.6 Ų102.651%0.50555%0.552SS.*Hα-helixtrans-65.1-43.7172.6-78.6177.58.900111.8P330 E331 F332 V336 L337 E338P330-Q334 WeakPolarHBondContact O-CG 3.35Å; P330-Q334 PolarHBondContact O-N 3.45Å; E331-Q334 PolarHBondContact O-N 3.14Å; F332-Q334 VanDerWaalsContact C-N 3.29Å; F332-Q334 PolarHBondContact O-N 3.31Å; Q334-V336 VanDerWaalsContact C-N 3.31Å; Q334-V336 PolarHBondContact O-N 3.01Å; Q334-L337 PolarHBondContact O-N 3.09Å; Q334-E338 PolarHBondContact O-N 3.29Å
335S70.4Confident62.9Low48 Ų4898.8 Ų98.834%0.33655%0.548SS..Hα-helixtrans-66.3-30.7179.277.30000113.5E331 F332 N339E331-S335 PolarHBondContact O-N 3.46Å; E331-S335 VanDerWaalsContact O-N 3.1Å; F332-S335 PolarHBondContact O-N 3.49Å; F332-S335 VanDerWaalsContact O-N 3.13Å; F332-S335 PolarHBondContact O-OG 3.35Å; S335-N339 PolarHBondContact O-ND2 3.42Å
336V70.7Confident63.5Low62 Ų6299.9 Ų99.938%0.37655%0.554SS.*Hα-helixtrans-77.1-38.8175.1175.70000110.7F332 Q334 E338 N339 L340F332-V336 HydrophobicContact CD1-CG2 4.44Å; F332-V336 HydrophobicContact CE1-CG2 4.07Å; F332-V336 HydrophobicContact CE2-CG2 4.35Å; F332-V336 HydrophobicContact CZ-CG2 4.02Å; F332-V336 WeakPolarHBondContact O-CG2 3.08Å; F332-V336 PolarHBondContact O-N 3.09Å; Q334-V336 VanDerWaalsContact C-N 3.31Å; Q334-V336 PolarHBondContact O-N 3.01Å; V336-E338 PolarHBondContact O-N 3.27Å; V336-N339 PolarHBondContact O-N 2.89Å; V336-L340 HydrophobicContact CG1-CD1 4.01Å; V336-L340 VanDerWaalsContact O-CD1 3.25Å; V336-L340 WeakPolarHBondContact O-CD1 3.4Å; V336-L340 PolarHBondContact O-N 3.14Å
337L61.6Low64.3Low55 Ų55100.5 Ų100.529%0.28856%0.555SS.*Hα-helixtrans-63.4-37.5175.9-108.6144.6000113L333 Q334 N339 V343 I350L333-L337 WeakPolarHBondContact O-CB 3.15Å; L333-L337 PolarHBondContact O-N 2.86Å; Q334-L337 PolarHBondContact O-N 3.09Å; L337-N339 VanDerWaalsContact C-N 3.33Å; L337-V343 HydrophobicContact CD2-CB 4.19Å; L337-V343 HydrophobicContact CD2-CG1 3.47Å; L337-V343 VanDerWaalsContact CD2-CG1 3.47Å; L337-I350 HydrophobicContact CD1-CG2 4.14Å; L337-I350 HydrophobicContact CD2-CD1 4.12Å
338E68.4Low64.9Low166 Ų166100.8 Ų100.878%0.77656%0.555SS**Hα-helixtrans-72.1-26.3177.6-74.7-176.3169.400113.3Q334 V336Q334-E338 PolarHBondContact O-N 3.29Å; V336-E338 PolarHBondContact O-N 3.27Å
339N71.8Confident65.2Low132 Ų13298.8 Ų98.871%0.70656%0.556SS**Hα-helixtrans-89.3-6.4-178.5-78.1-49.1000113.9S335 V336 L337 P341S335-N339 PolarHBondContact O-ND2 3.42Å; V336-N339 PolarHBondContact O-N 2.89Å; L337-N339 VanDerWaalsContact C-N 3.33Å; N339-P341 WeakPolarHBondContact O-CD 3.31Å
340L64.1Low65.2Low99 Ų9996.4 Ų96.452%0.51854%0.543SS..SBendtrans-93113.6174.8-96.782.3000111.3V336 G342 V343V336-L340 HydrophobicContact CG1-CD1 4.01Å; V336-L340 VanDerWaalsContact O-CD1 3.25Å; V336-L340 WeakPolarHBondContact O-CD1 3.4Å; V336-L340 PolarHBondContact O-N 3.14Å; L340-G342 PolarHBondContact O-N 3.2Å; L340-V343 HydrophobicContact CB-CG2 4.11Å
341P53.7Low65.5Low136 Ų136101.1 Ų101.188%0.88355%0.552SS**THydrogen-bonded Turntrans-70.7121.9178.927.9-32.5000110.7N339N339-P341 WeakPolarHBondContact O-CD 3.31Å
342G57.8Low65.8Low81 Ų8198.7 Ų98.784%0.83554%0.544SS*.THydrogen-bonded Turntrans110.94.9175.300000115.6L340L340-G342 PolarHBondContact O-N 3.2Å
343V70.4Confident65.7Low59 Ų5996.5 Ų96.536%0.35855%0.545SS..  trans-105.7113.4175.3-166.60000109.8L337 L340 P345 I350L337-V343 HydrophobicContact CD2-CB 4.19Å; L337-V343 HydrophobicContact CD2-CG1 3.47Å; L337-V343 VanDerWaalsContact CD2-CG1 3.47Å; L340-V343 HydrophobicContact CB-CG2 4.11Å; V343-P345 WeakPolarHBondContact O-CD 3.43Å; V343-I350 HydrophobicContact CG1-CD1 3.56Å
344D59.2Low65.7Low123 Ų12397.2 Ų97.266%0.65855%0.547SS*.  trans-78.2119.8177.9-74.1-36.5000110.8N346 N347D344-N346 PolarHBondContact O-N 3.33Å; D344-N347 WeakPolarHBondContact O-CB 3.44Å; D344-N347 PolarHBondContact O-N 3.27Å
345P63.7Low65.8Low95 Ų9594 Ų9462%0.61754%0.544SS*.THydrogen-bonded Turntrans-68-8-174.925.1-33.6000114.5V343V343-P345 WeakPolarHBondContact O-CD 3.43Å
346N62Low65.6Low127 Ų12794.8 Ų94.868%0.67955%0.549SS*.THydrogen-bonded Turntrans-103.48.6179.1-75.1-34.3000113.8D344 E348D344-N346 PolarHBondContact O-N 3.33Å; N346-E348 PolarHBondContact O-N 3.41Å
347N73.3Confident65Low86 Ų8695.9 Ų95.946%0.4655%0.552SS.*  trans-69.8129.8-179.7-161.7-13.7000111.7D344 A349 I350 R351D344-N347 WeakPolarHBondContact O-CB 3.44Å; D344-N347 PolarHBondContact O-N 3.27Å; N347-A349 PolarHBondContact O-N 3.08Å; N347-I350 HydrophobicContact CB-CD1 4.21Å; N347-I350 HydrophobicContact CB-CG1 4.46Å; N347-I350 PolarHBondContact O-N 2.91Å; N347-I350 VanDerWaalsContact O-N 3.07Å; N347-R351 PolarHBondContact O-N 3.14Å
348E68.2Low65.1Low146 Ų14696.5 Ų96.568%0.68257%0.565SS**Hα-helixtrans-60.1-29.6-173.7-166174.8173.400112.6N346 I350 N352N346-E348 PolarHBondContact O-N 3.41Å; E348-I350 PolarHBondContact O-N 3.36Å; E348-N352 PolarHBondContact O-N 3.36Å
349A63.4Low64.5Low66 Ų6692.7 Ų92.755%0.54556%0.557SS.*Hα-helixtrans-65-37.2176.200000113.3N347 A353N347-A349 PolarHBondContact O-N 3.08Å; A349-A353 PolarHBondContact O-N 2.95Å; A349-A353 VanDerWaalsContact O-N 3.09Å
350I66.1Low63.6Low46 Ų4693.6 Ų93.624%0.23656%0.557CS.*Hα-helixtrans-78.5-35.4-177.9-57.6171.7000110.2L337 V343 N347 E348 A353 M354L337-I350 HydrophobicContact CD1-CG2 4.14Å; L337-I350 HydrophobicContact CD2-CD1 4.12Å; V343-I350 HydrophobicContact CG1-CD1 3.56Å; N347-I350 HydrophobicContact CB-CD1 4.21Å; N347-I350 HydrophobicContact CB-CG1 4.46Å; N347-I350 PolarHBondContact O-N 2.91Å; N347-I350 VanDerWaalsContact O-N 3.07Å; E348-I350 PolarHBondContact O-N 3.36Å; I350-A353 PolarHBondContact O-N 3.23Å; I350-M354 WeakPolarHBondContact O-CB 3.18Å; I350-M354 PolarHBondContact O-N 3.13Å
351R68.3Low63Low170 Ų17094 Ų9464%0.64256%0.564SS**Hα-helixtrans-64.2-40171.1-82.8-170.4175.2-178.90.8112.6N347 G355N347-R351 PolarHBondContact O-N 3.14Å; R351-G355 PolarHBondContact O-N 3.48Å
352N69.9Low62.4Low110 Ų11090.9 Ų90.959%0.58856%0.556SS**Hα-helixtrans-66.9-37.5175.3-78.7-18.5000111.9E348 S356E348-N352 PolarHBondContact O-N 3.36Å; N352-S356 WeakPolarHBondContact O-CB 3.42Å; N352-S356 PolarHBondContact O-N 3.07Å; N352-S356 PolarHBondContact O-OG 3.27Å
353A64.9Low61.6Low54 Ų5491.8 Ų91.845%0.44655%0.55SS..Hα-helixtrans-66.5-48.7175.500000112.6A349 I350 G355 S356 L357A349-A353 PolarHBondContact O-N 2.95Å; A349-A353 VanDerWaalsContact O-N 3.09Å; I350-A353 PolarHBondContact O-N 3.23Å; A353-G355 VanDerWaalsContact C-N 3.34Å; A353-G355 PolarHBondContact O-N 2.92Å; A353-S356 PolarHBondContact O-N 3.35Å; A353-S356 PolarHBondContact O-OG 3.01Å; A353-L357 PolarHBondContact O-N 3.41Å; A353-L357 VanDerWaalsContact O-N 3.13Å
354M66.7Low59.8Low72 Ų7299.1 Ų99.136%0.35558%0.577SS.*Hα-helixtrans-61.4-40174.1-88-88-96.200112.4I350 L357 A358I350-M354 WeakPolarHBondContact O-CB 3.18Å; I350-M354 PolarHBondContact O-N 3.13Å; M354-L357 PolarHBondContact O-N 3.38Å; M354-A358 WeakPolarHBondContact O-CB 3.49Å; M354-A358 PolarHBondContact O-N 3.07Å
355G68.4Low58.5Low42 Ų4298.6 Ų98.643%0.43358%0.583SS.*Hα-helixtrans-64.4-38.3176.200000113.1R351 A353 S359R351-G355 PolarHBondContact O-N 3.48Å; A353-G355 VanDerWaalsContact C-N 3.34Å; A353-G355 PolarHBondContact O-N 2.92Å; G355-S359 PolarHBondContact O-N 3.49Å
356S65.3Low57Low64 Ų64102.2 Ų102.245%0.44860%0.597SS.*Hα-helixtrans-67.3-38.9175.767.50000112.7N352 A353 S359 Q360N352-S356 WeakPolarHBondContact O-CB 3.42Å; N352-S356 PolarHBondContact O-N 3.07Å; N352-S356 PolarHBondContact O-OG 3.27Å; A353-S356 PolarHBondContact O-N 3.35Å; A353-S356 PolarHBondContact O-OG 3.01Å; S356-S359 PolarHBondContact O-N 3.18Å; S356-S359 PolarHBondContact O-OG 3.05Å; S356-Q360 PolarHBondContact O-N 3.03Å
357L58.7Low55.6Low84 Ų84102 Ų10244%0.4460%0.6SS.*Hα-helixtrans-70.1-41.7179.1-15174.9000111.9A353 M354 S359 Q360A353-L357 PolarHBondContact O-N 3.41Å; A353-L357 VanDerWaalsContact O-N 3.13Å; M354-L357 PolarHBondContact O-N 3.38Å; L357-S359 VanDerWaalsContact C-N 3.25Å; L357-S359 PolarHBondContact O-N 3.29Å; L357-Q360 PolarHBondContact O-N 3.36Å
358A62.8Low53.6Low68 Ų68107.4 Ų107.456%0.56262%0.62SS**Hα-helixtrans-67.6-22.417600000113.5M354 T361M354-A358 WeakPolarHBondContact O-CB 3.49Å; M354-A358 PolarHBondContact O-N 3.07Å; A358-T361 PolarHBondContact O-OG1 3.18Å
359S55.6Low51.9Low86 Ų86110.6 Ų110.660%0.60163%0.632SS**Hα-helixtrans-81.4-20.8175.272.20000113.7G355 S356 L357G355-S359 PolarHBondContact O-N 3.49Å; S356-S359 PolarHBondContact O-N 3.18Å; S356-S359 PolarHBondContact O-OG 3.05Å; L357-S359 VanDerWaalsContact C-N 3.25Å; L357-S359 PolarHBondContact O-N 3.29Å
360Q52.5Low50.6Low151 Ų151115.5 Ų115.571%0.70665%0.648SS**Hα-helixtrans-77.6-18.7176.7-81-176.3-17.200113.4S356 L357S356-Q360 PolarHBondContact O-N 3.03Å; L357-Q360 PolarHBondContact O-N 3.36Å
361T51.6Low49.1Very low108 Ų108122.2 Ų122.266%0.66368%0.679SS**THydrogen-bonded Turntrans-85.9-3.2-178.554.10000114.3A358A358-T361 PolarHBondContact O-OG1 3.18Å
362G41.8Very low47.5Very low71 Ų71123.5 Ų123.573%0.73269%0.692SS**THydrogen-bonded Turntrans-925.2-172.600000117.7
363S40.3Very low46Very low100 Ų100128.5 Ų128.570%0.69971%0.709SS**  trans-131.260-168.863.30000115.7
364K32.5Very low44.7Very low213 Ų213135.8 Ų135.893%0.92673%0.73SS**  trans-141112.5154.6-98.9174.9-174.3169.60110.6
365S32.6Very low43.2Very low112 Ų112145.8 Ų145.878%0.78377%0.772SS**  trans-79.7132-174.648.60000113.4T367S365-T367 PolarHBondContact O-N 3.47Å
366D31.6Very low42Very low170 Ų170151 Ų15191%0.90979%0.789SS**  trans-64.9119.6165.8-99-44000111.6
367T32.6Very low40.7Very low122 Ų122155.5 Ų155.575%0.74881%0.806SS**  trans-152.8110.3161.3-34.10000110.5S365S365-T367 PolarHBondContact O-N 3.47Å
368K32.3Very low39.7Very low200 Ų200159.5 Ų159.587%0.8783%0.827SS**  trans134.3112.2150.2-78.7177.1176.7177.10113.1
369K31.7Very low38.4Very low214 Ų214164.9 Ų164.993%0.9384%0.842SS**  -174.594.9124.5-103175.1-178.4-179.30110.4
370D36Very low37.3Very low168 Ų168169.8 Ų169.890%0.89886%0.857SS**  trans-119.6119152.4-112.2-30.7000105.8
371E35.6Very low36.3Very low188 Ų188171.1 Ų171.188%0.87987%0.868SS**  trans144.897.2160.5-86.1-157.1146.600110
372E34.8Very low35.2Very low196 Ų196175.6 Ų175.692%0.91688%0.882SS**  trans175.995.3130.8-100.9-170.915400109.9
373K37.3Very low34.7Very low215 Ų215183.6 Ų183.694%0.93589%0.894SS**  trans-152.787.7150.1-113.9-179.7-172.7179.30109.9
374K38.8Very low34.2Very low208 Ų208190.6 Ų190.690%0.90491%0.91SS**  trans-137.981.6162.7-158-179-170.2178.70109.1
375K34.5Very low34.4Very low281 Ų281188.5 Ų188.5100%1.22291%0.909SS**  trans-176.20139.4-108176.2178.8179.40111

Retrieved 375 of 375 residues in 81.2 ms (Link to these results)

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