A0A077ZMI0_TRITR Loading...

26S proteasome non-ATPase regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A077ZMI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M52.9Low81.8Confident221 Ų22136.3 Ų36.3100%1.08921%0.212SC*.  0800-68.4179-175.900110.1
2G69.2Low82.2Confident55 Ų5536.8 Ų36.857%0.56722%0.219SC*.  trans-90127.4-173.900000112.2E4 N44G2-E4 PolarHBondContact O-N 3.42Å; G2-N44 PolarHBondContact O-ND2 3.47Å
3L81.1Confident82.5Confident54 Ų5434.1 Ų34.128%0.28320%0.203SC..  trans-57.9126.9168.2-69.5-177.6000110E46 H95 R96L3-E46 HydrophobicContact CD2-CB 3.53Å; L3-E46 HydrophobicContact CD2-CG 4.46Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.37Å; L3-H95 WeakPolarHBondContact CB-ND1 3.26Å; L3-H95 CarbonylContact O-C 3.51Å; L3-H95 VanDerWaalsContact O-CA 3.27Å; L3-H95 WeakPolarHBondContact O-CA 3.43Å; L3-R96 PolarHBondContact O-N 3.41Å
4E82.8Confident82.7Confident18 Ų1838.7 Ų38.78%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-127.7150.4177.555.8174.7-164.700112.1G2 K40 N47 T48 H95 R96 R98G2-E4 PolarHBondContact O-N 3.42Å; E4-K40 VanDerWaalsContact CD-NZ 3.29Å; E4-K40 WeakPolarHBondContact OE1-CD 3.3Å; E4-K40 WeakPolarHBondContact OE1-CE 3.08Å; E4-K40 IonicContact OE1-NZ 2.78Å; E4-K40 PolarHBondContact OE1-NZ 3.4Å; E4-K40 IonicContact OE2-NZ 3.8Å; E4-K40 PolarHBondContact OE2-NZ 2.97Å; E4-N47 HydrophobicContact CG-CB 4.36Å; E4-N47 VanDerWaalsContact CG-CG 3.41Å; E4-N47 WeakPolarHBondContact CG-ND2 3.23Å; E4-N47 WeakPolarHBondContact CG-OD1 3.23Å; E4-N47 PolarHBondContact N-OD1 3.46Å; E4-N47 WeakPolarHBondContact O-CA 3.22Å; E4-N47 PolarHBondContact OE1-ND2 2.78Å; E4-T48 PolarHBondContact O-N 2.81Å; E4-H95 PolarHBondContact N-ND1 3.23Å; E4-H95 PolarHBondContact O-ND1 3.46Å; E4-R96 CarbonylContact C-O 3.49Å; E4-R96 WeakPolarHBondContact CA-O 3.43Å; E4-R96 HydrophobicContact CB-CB 4.31Å; E4-R96 WeakPolarHBondContact CB-O 3.43Å; E4-R98 IonicContact OE2-NE 3.48Å
5S85.3Confident82.8Confident6 Ų641.7 Ų41.74%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-117.6110.1171.6-66.20000106.9T48 H95 R96 R98S5-T48 WeakPolarHBondContact CA-O 3.35Å; S5-H95 WeakPolarHBondContact OG-CB 3.43Å; S5-R96 PolarHBondContact N-O 3Å; S5-R98 PolarHBondContact O-N 2.87Å
6T86Confident83Confident2 Ų239.4 Ų39.41%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-105123-177-58.10000109.6I8 T48 V49 V50 R98 V100T6-I8 HydrophobicContact CG2-CG1 4.17Å; T6-T48 PolarHBondContact N-O 2.76Å; T6-V49 WeakPolarHBondContact O-CA 3.14Å; T6-V50 PolarHBondContact O-N 3.39Å; T6-R98 CarbonylContact C-O 3.41Å; T6-R98 VanDerWaalsContact CA-O 3.3Å; T6-R98 WeakPolarHBondContact CA-O 3.42Å; T6-V100 HydrophobicContact CG2-CG2 3.77Å
7M88Confident83Confident5 Ų545.4 Ų45.43%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-99.4125.2171-172.767.3-173.100109.5V50 Q52 A83 A86 L87 R98 I99 V100M7-V50 WeakPolarHBondContact CA-O 3.28Å; M7-V50 HydrophobicContact CE-CG1 4.36Å; M7-V50 HydrophobicContact SD-CB 3.67Å; M7-V50 HydrophobicContact SD-CG1 3.61Å; M7-Q52 VanDerWaalsContact CE-CA 3.45Å; M7-A83 HydrophobicContact CB-CB 4.35Å; M7-A83 HydrophobicContact CG-CB 3.7Å; M7-A86 HydrophobicContact CE-CB 4.32Å; M7-A86 HydrophobicContact SD-CB 4.13Å; M7-L87 HydrophobicContact CB-CD2 4.31Å; M7-L87 HydrophobicContact CB-CG 4.42Å; M7-R98 PolarHBondContact N-O 3.37Å; M7-I99 HydrophobicContact CB-CG1 4.48Å; M7-I99 CarbonylContact O-C 3.46Å; M7-I99 WeakPolarHBondContact O-CA 3.2Å; M7-V100 PolarHBondContact O-N 3.16Å
8I89.5Confident82.9Confident4 Ų446.9 Ų46.92%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-106.3124179.8-55.3177.4000110.1T6 V10 V33 I36 V37 V49 V50 V100 F102T6-I8 HydrophobicContact CG2-CG1 4.17Å; I8-V10 HydrophobicContact CG2-CG2 4.1Å; I8-V33 HydrophobicContact CD1-CG1 4.06Å; I8-V33 HydrophobicContact CG2-CG1 4.27Å; I8-V33 HydrophobicContact CG2-CG2 4.1Å; I8-I36 HydrophobicContact CD1-CG2 4.13Å; I8-V37 HydrophobicContact CD1-CG2 3.98Å; I8-V49 HydrophobicContact CD1-CG1 3.69Å; I8-V49 HydrophobicContact CG1-CG1 4.18Å; I8-V50 PolarHBondContact N-O 3.3Å; I8-V100 HydrophobicContact CG1-CB 4.48Å; I8-F102 HydrophobicContact CG2-CD2 4.03Å; I8-F102 HydrophobicContact CG2-CE2 3.73Å
9C89.3Confident82.7Confident6 Ų647.6 Ų47.64%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-106.5121.7172.3-63.70000109.6A79 V100 V101 F102C9-A79 HydrophobicContact CB-CB 4.31Å; C9-V100 PolarHBondContact N-O 3.43Å; C9-V101 HydrophobicContact CB-CG1 4.3Å; C9-V101 HydrophobicContact CB-CG2 4.39Å; C9-F102 WeakPolarHBondContact O-CD2 3.48Å; C9-F102 PolarHBondContact O-N 2.86Å
10V89.1Confident82.7Confident22 Ų2247.1 Ų47.113%0.13326%0.262CS..  trans-104.8135.9-175.1179.10000108.8I8 E29 V33 L65 L68I8-V10 HydrophobicContact CG2-CG2 4.1Å; V10-E29 WeakPolarHBondContact CA-OE1 3.19Å; V10-E29 HydrophobicContact CG1-CG 4.2Å; V10-E29 WeakPolarHBondContact CG1-OE1 3.31Å; V10-E29 WeakPolarHBondContact CG1-OE2 3.33Å; V10-V33 HydrophobicContact CG2-CG2 3.97Å; V10-L65 HydrophobicContact CG1-CD2 4.21Å; V10-L65 HydrophobicContact CG2-CD2 3.91Å; V10-L68 HydrophobicContact CG1-CD2 3.67Å
11D87.3Confident82.7Confident6 Ų645 Ų453%0.03225%0.25CC..  trans-82.1119.8178.1-169.9-2.8000109.4S13 M16 E29 G104 S105D11-S13 VanDerWaalsContact CG-OG 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 2.85Å; D11-S13 PolarHBondContact OD1-OG 3Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; D11-S13 VanDerWaalsContact OD2-OG 3.09Å; D11-M16 HydrophobicContact CB-SD 4.42Å; D11-M16 WeakPolarHBondContact O-CG 3.43Å; D11-E29 PolarHBondContact N-OE1 2.91Å; D11-G104 PolarHBondContact OD2-N 3.04Å; D11-S105 PolarHBondContact OD2-N 2.98Å; D11-S105 PolarHBondContact OD2-OG 2.96Å
12S85.7Confident84Confident43 Ų4342.8 Ų42.830%0.30123%0.234SC..  trans-105.116.4176.749.40000113P70 K71S12-P70 CarbonylContact O-C 3.22Å; S12-P70 VanDerWaalsContact O-CA 3.28Å; S12-P70 WeakPolarHBondContact O-CA 3.31Å; S12-K71 CarbonylContact O-C 3.58Å; S12-K71 PolarHBondContact O-N 3.44Å; S12-K71 VanDerWaalsContact O-O 3.04Å
13S87.1Confident84.3Confident1 Ų144.3 Ų44.31%0.00724%0.235CC..SBendtrans-64.4163.4-177.5640000114.3D11 F15 M16 G72 S105D11-S13 VanDerWaalsContact CG-OG 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.46Å; D11-S13 PolarHBondContact OD1-N 2.85Å; D11-S13 PolarHBondContact OD1-OG 3Å; D11-S13 PolarHBondContact OD2-OG 2.87Å; D11-S13 VanDerWaalsContact OD2-OG 3.09Å; S13-F15 PolarHBondContact O-N 3.1Å; S13-M16 VanDerWaalsContact O-CB 3.31Å; S13-M16 WeakPolarHBondContact O-CB 3.4Å; S13-M16 WeakPolarHBondContact O-CG 3.41Å; S13-M16 PolarHBondContact O-N 3.38Å; S13-M16 VanDerWaalsContact O-N 3.11Å; S13-G72 CarbonylContact C-O 3.57Å; S13-G72 VanDerWaalsContact CA-O 3.26Å; S13-G72 WeakPolarHBondContact CA-O 3.25Å; S13-S105 VanDerWaalsContact OG-CB 3.29Å; S13-S105 WeakPolarHBondContact OG-CB 3.44Å; S13-S105 PolarHBondContact OG-OG 3.47Å
14E85.4Confident84.4Confident99 Ų9943.6 Ų43.646%0.46323%0.234SC..G310 helixtrans-62-24.1178.9-58.1-152.4120.400114M16 R17 G72E14-M16 PolarHBondContact O-N 3.3Å; E14-R17 WeakPolarHBondContact O-CB 3.48Å; E14-R17 WeakPolarHBondContact O-CG 3.46Å; E14-R17 PolarHBondContact O-N 3.33Å; E14-R17 VanDerWaalsContact O-N 3.15Å; E14-R17 IonicContact OE1-CZ 3.7Å; E14-R17 IonicContact OE1-NH1 3.71Å; E14-R17 PolarHBondContact OE1-NH1 3.34Å; E14-R17 IonicContact OE1-NH2 3.49Å; E14-R17 PolarHBondContact OE1-NH2 3.03Å; E14-G72 WeakPolarHBondContact CG-O 3.43Å; E14-G72 PolarHBondContact N-O 3.16Å
15F84.2Confident84.6Confident84 Ų8443 Ų4337%0.36823%0.231SC..G310 helixtrans-65.5-16176.9-66.2-91.9000112.9S13 R17 N18 R25 G104 P106S13-F15 PolarHBondContact O-N 3.1Å; F15-R17 PolarHBondContact O-N 3.44Å; F15-N18 WeakPolarHBondContact O-CB 3.19Å; F15-N18 VanDerWaalsContact O-CG 3.26Å; F15-N18 PolarHBondContact O-N 3.03Å; F15-N18 VanDerWaalsContact O-N 3.14Å; F15-N18 PolarHBondContact O-ND2 3.05Å; F15-R25 PolarHBondContact O-NH1 2.92Å; F15-G104 WeakPolarHBondContact CB-O 3.45Å; F15-P106 HydrophobicContact CE1-CG 3.85Å; F15-P106 HydrophobicContact CE2-CG 3.82Å; F15-P106 VanDerWaalsContact CZ-CD 3.45Å; F15-P106 HydrophobicContact CZ-CG 3.41Å; F15-P106 VanDerWaalsContact CZ-CG 3.41Å
16M85.3Confident84.6Confident5 Ų543.5 Ų43.53%0.02523%0.233CC..G310 helixtrans-70.9-7.9174.7-59-58.8-67.600113.7D11 S13 E14 N18 R25 E29 P70D11-M16 HydrophobicContact CB-SD 4.42Å; D11-M16 WeakPolarHBondContact O-CG 3.43Å; S13-M16 VanDerWaalsContact O-CB 3.31Å; S13-M16 WeakPolarHBondContact O-CB 3.4Å; S13-M16 WeakPolarHBondContact O-CG 3.41Å; S13-M16 PolarHBondContact O-N 3.38Å; S13-M16 VanDerWaalsContact O-N 3.11Å; E14-M16 PolarHBondContact O-N 3.3Å; M16-N18 VanDerWaalsContact C-N 3.27Å; M16-R25 HydrophobicContact CE-CB 4.45Å; M16-R25 HydrophobicContact CE-CG 3.74Å; M16-R25 VanDerWaalsContact SD-CD 3.54Å; M16-R25 HydrophobicContact SD-CG 3.87Å; M16-E29 HydrophobicContact CE-CB 3.89Å; M16-E29 HydrophobicContact CE-CG 4.31Å; M16-E29 WeakPolarHBondContact CE-OE2 3.49Å; M16-P70 HydrophobicContact CB-CB 4.01Å
17R83Confident84.7Confident140 Ų14047.3 Ų47.353%0.52825%0.251SS..G310 helixtrans-76.6-13.7169.7-62.8-176.7-173.4124.55.3113.2E14 F15 P70E14-R17 WeakPolarHBondContact O-CB 3.48Å; E14-R17 WeakPolarHBondContact O-CG 3.46Å; E14-R17 PolarHBondContact O-N 3.33Å; E14-R17 VanDerWaalsContact O-N 3.15Å; E14-R17 IonicContact OE1-CZ 3.7Å; E14-R17 IonicContact OE1-NH1 3.71Å; E14-R17 PolarHBondContact OE1-NH1 3.34Å; E14-R17 IonicContact OE1-NH2 3.49Å; E14-R17 PolarHBondContact OE1-NH2 3.03Å; F15-R17 PolarHBondContact O-N 3.44Å; R17-P70 HydrophobicContact CG-CB 4.27Å; R17-P70 HydrophobicContact CG-CG 3.77Å; R17-P70 PolarHBondContact NH2-O 3.31Å
18N81.5Confident84.6Confident73 Ų7347.1 Ų47.139%0.3925%0.25SS..  trans-66.7138.8-179-65.8-18.5000110.7F15 M16 R25F15-N18 WeakPolarHBondContact O-CB 3.19Å; F15-N18 VanDerWaalsContact O-CG 3.26Å; F15-N18 PolarHBondContact O-N 3.03Å; F15-N18 VanDerWaalsContact O-N 3.14Å; F15-N18 PolarHBondContact O-ND2 3.05Å; M16-N18 VanDerWaalsContact C-N 3.27Å; N18-R25 VanDerWaalsContact O-CB 3.25Å; N18-R25 WeakPolarHBondContact O-CB 3.43Å; N18-R25 PolarHBondContact O-N 2.82Å
19G78.5Confident84.5Confident61 Ų6147.1 Ų47.163%0.62925%0.25SC*.  trans-96.432-179.100000113.9Y21G19-Y21 VanDerWaalsContact C-N 3.31Å
20D83.4Confident84.5Confident36 Ų3648.9 Ų48.919%0.19326%0.256CS..SBendtrans-77-17.8179.162.1-38.5000113.7R25 G132 G164D20-R25 IonicContact OD1-CZ 2.91Å; D20-R25 VanDerWaalsContact OD1-CZ 3.27Å; D20-R25 IonicContact OD1-NE 3.41Å; D20-R25 PolarHBondContact OD1-NE 3.35Å; D20-R25 IonicContact OD1-NH2 2.95Å; D20-R25 PolarHBondContact OD1-NH2 2.94Å; D20-R25 IonicContact OD2-CZ 3.62Å; D20-R25 IonicContact OD2-NE 2.99Å; D20-R25 PolarHBondContact OD2-NE 2.85Å; D20-R25 IonicContact OD2-NH2 3.27Å; D20-R25 PolarHBondContact OD2-NH2 3.38Å; D20-G132 WeakPolarHBondContact OD2-CA 3.34Å; D20-G164 WeakPolarHBondContact O-CA 3.46Å; D20-G164 PolarHBondContact O-N 3.43Å
21Y83Confident84.4Confident3 Ų351.3 Ų51.31%0.01227%0.268CS..SBendtrans-112.3133.2170.6-62.5-76.7000109.4G19 P23 S24 R25 F131 G132 V161 S165 L167G19-Y21 VanDerWaalsContact C-N 3.31Å; Y21-P23 CarbonylContact O-C 3.51Å; Y21-S24 CarbonylContact O-C 3.55Å; Y21-S24 VanDerWaalsContact O-CA 3.27Å; Y21-S24 WeakPolarHBondContact O-CA 3.32Å; Y21-S24 PolarHBondContact O-N 3.42Å; Y21-R25 HydrophobicContact CD2-CB 4.19Å; Y21-R25 HydrophobicContact CD2-CG 3.78Å; Y21-R25 HydrophobicContact CE2-CG 4.34Å; Y21-F131 HydrophobicContact CE2-CB 3.96Å; Y21-G132 PolarHBondContact OH-N 2.93Å; Y21-V161 HydrophobicContact CE1-CG1 4.08Å; Y21-V161 PolarHBondContact OH-O 2.98Å; Y21-V161 VanDerWaalsContact OH-O 3.11Å; Y21-S165 WeakPolarHBondContact CD1-O 3.4Å; Y21-S165 WeakPolarHBondContact CE1-O 3.45Å; Y21-L167 HydrophobicContact CD1-CD2 3.38Å; Y21-L167 HydrophobicContact CD1-CG 3.86Å; Y21-L167 HydrophobicContact CD2-CD2 4.34Å; Y21-L167 HydrophobicContact CE1-CD2 3.12Å; Y21-L167 HydrophobicContact CE1-CG 4.12Å; Y21-L167 HydrophobicContact CE2-CD2 4.1Å; Y21-L167 HydrophobicContact CG-CD1 4.49Å; Y21-L167 HydrophobicContact CG-CD2 3.99Å; Y21-L167 HydrophobicContact CG-CG 4.2Å; Y21-L167 VanDerWaalsContact CZ-CD2 3.49Å
22F78.9Confident84.4Confident175 Ų17551 Ų5177%0.76827%0.267SS*.SBendtrans-83.4137176.8-70.9-81.9000110.6
23P76Confident84.5Confident88 Ų8849.1 Ų49.157%0.57125%0.253SS*.SBendcis-79.5-26.4-5.229.6-35.9000115.7Y21 E27Y21-P23 CarbonylContact O-C 3.51Å; P23-E27 HydrophobicContact CG-CB 4.11Å; P23-E27 HydrophobicContact CG-CG 3.78Å; P23-E27 VanDerWaalsContact CG-OE2 3.23Å; P23-E27 WeakPolarHBondContact CG-OE2 3.46Å
24S82.7Confident84.5Confident39 Ų3951.8 Ų51.827%0.27327%0.267SS..  trans-154.5155.716765.60000109.5Y21 L26 E27 A28Y21-S24 CarbonylContact O-C 3.55Å; Y21-S24 VanDerWaalsContact O-CA 3.27Å; Y21-S24 WeakPolarHBondContact O-CA 3.32Å; Y21-S24 PolarHBondContact O-N 3.42Å; S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.39Å; S24-E27 PolarHBondContact O-N 2.74Å; S24-E27 VanDerWaalsContact O-N 3.14Å; S24-E27 WeakPolarHBondContact OG-CB 3.4Å; S24-E27 PolarHBondContact OG-N 3.21Å; S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.22Å
25R86.9Confident84.5Confident5 Ų548.8 Ų48.82%0.01925%0.254CS..Hα-helixtrans-59-39.9-179-171-177.5-61.8-175-5.7112.6F15 M16 N18 D20 Y21 E29 G104 G132F15-R25 PolarHBondContact O-NH1 2.92Å; M16-R25 HydrophobicContact CE-CB 4.45Å; M16-R25 HydrophobicContact CE-CG 3.74Å; M16-R25 VanDerWaalsContact SD-CD 3.54Å; M16-R25 HydrophobicContact SD-CG 3.87Å; N18-R25 VanDerWaalsContact O-CB 3.25Å; N18-R25 WeakPolarHBondContact O-CB 3.43Å; N18-R25 PolarHBondContact O-N 2.82Å; D20-R25 IonicContact OD1-CZ 2.91Å; D20-R25 VanDerWaalsContact OD1-CZ 3.27Å; D20-R25 IonicContact OD1-NE 3.41Å; D20-R25 PolarHBondContact OD1-NE 3.35Å; D20-R25 IonicContact OD1-NH2 2.95Å; D20-R25 PolarHBondContact OD1-NH2 2.94Å; D20-R25 IonicContact OD2-CZ 3.62Å; D20-R25 IonicContact OD2-NE 2.99Å; D20-R25 PolarHBondContact OD2-NE 2.85Å; D20-R25 IonicContact OD2-NH2 3.27Å; D20-R25 PolarHBondContact OD2-NH2 3.38Å; Y21-R25 HydrophobicContact CD2-CB 4.19Å; Y21-R25 HydrophobicContact CD2-CG 3.78Å; Y21-R25 HydrophobicContact CE2-CG 4.34Å; R25-E29 WeakPolarHBondContact O-CB 3.41Å; R25-E29 PolarHBondContact O-N 2.79Å; R25-G104 PolarHBondContact NH1-O 3.3Å; R25-G132 PolarHBondContact NH2-O 3.27Å
26L86Confident84.5Confident16 Ų1644.8 Ų44.88%0.08424%0.237CC..Hα-helixtrans-66.3-40.9176.2-177.165.8000112.5S24 E29 R30 L68 P70S24-L26 VanDerWaalsContact C-N 3.29Å; S24-L26 PolarHBondContact O-N 3.39Å; L26-E29 PolarHBondContact O-N 3.22Å; L26-R30 VanDerWaalsContact CD2-NH2 3.25Å; L26-R30 VanDerWaalsContact O-CG 3.23Å; L26-R30 WeakPolarHBondContact O-CG 3.47Å; L26-R30 PolarHBondContact O-N 2.81Å; L26-L68 HydrophobicContact CD1-CD2 4.19Å; L26-P70 HydrophobicContact CD2-CG 4.35Å
27E87.7Confident84.5Confident82 Ų8244.8 Ų44.838%0.38324%0.237SC..Hα-helixtrans-69-42177.3-169.7165-172.600111.7P23 S24 E29 R30 D31P23-E27 HydrophobicContact CG-CB 4.11Å; P23-E27 HydrophobicContact CG-CG 3.78Å; P23-E27 VanDerWaalsContact CG-OE2 3.23Å; P23-E27 WeakPolarHBondContact CG-OE2 3.46Å; S24-E27 PolarHBondContact O-N 2.74Å; S24-E27 VanDerWaalsContact O-N 3.14Å; S24-E27 WeakPolarHBondContact OG-CB 3.4Å; S24-E27 PolarHBondContact OG-N 3.21Å; E27-E29 VanDerWaalsContact C-N 3.27Å; E27-E29 PolarHBondContact O-N 3.29Å; E27-R30 WeakPolarHBondContact O-CB 3.43Å; E27-R30 PolarHBondContact O-N 3.46Å; E27-R30 VanDerWaalsContact O-N 3.11Å; E27-D31 PolarHBondContact O-N 3.22Å
28A87.4Confident84.5Confident2 Ų241.8 Ų41.82%0.01723%0.229CC..Hα-helixtrans-60.3-37173.200000112S24 A32 L167S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.22Å; A28-A32 WeakPolarHBondContact O-CB 3.27Å; A28-A32 PolarHBondContact O-N 2.95Å; A28-L167 HydrophobicContact CB-CD1 3.57Å; A28-L167 HydrophobicContact CB-CG 3.95Å
29E87.4Confident84.5Confident3 Ų339.5 Ų39.51%0.01422%0.218CC..Hα-helixtrans-67-41.7173.7-169.9-175.3-158.600112V10 D11 M16 R25 L26 E27 D31 A32 V33 F102V10-E29 WeakPolarHBondContact CA-OE1 3.19Å; V10-E29 HydrophobicContact CG1-CG 4.2Å; V10-E29 WeakPolarHBondContact CG1-OE1 3.31Å; V10-E29 WeakPolarHBondContact CG1-OE2 3.33Å; D11-E29 PolarHBondContact N-OE1 2.91Å; M16-E29 HydrophobicContact CE-CB 3.89Å; M16-E29 HydrophobicContact CE-CG 4.31Å; M16-E29 WeakPolarHBondContact CE-OE2 3.49Å; R25-E29 WeakPolarHBondContact O-CB 3.41Å; R25-E29 PolarHBondContact O-N 2.79Å; L26-E29 PolarHBondContact O-N 3.22Å; E27-E29 VanDerWaalsContact C-N 3.27Å; E27-E29 PolarHBondContact O-N 3.29Å; E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 PolarHBondContact O-N 2.91Å; E29-A32 WeakPolarHBondContact O-CB 3.35Å; E29-A32 PolarHBondContact O-N 2.83Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.26Å; E29-V33 PolarHBondContact O-N 3.25Å; E29-F102 HydrophobicContact CG-CB 4.49Å; E29-F102 HydrophobicContact CG-CD1 3.7Å; E29-F102 HydrophobicContact CG-CE1 4.21Å; E29-F102 HydrophobicContact CG-CG 4.2Å; E29-F102 WeakPolarHBondContact OE1-CB 3.33Å
30R87.9Confident84.6Confident44 Ų4436.8 Ų36.817%0.16619%0.189CC..Hα-helixtrans-60.3-44.8176.2-68.4165.5-179.8166-1.4111.4L26 E27 V33 N34 L65 H66 L68L26-R30 VanDerWaalsContact CD2-NH2 3.25Å; L26-R30 VanDerWaalsContact O-CG 3.23Å; L26-R30 WeakPolarHBondContact O-CG 3.47Å; L26-R30 PolarHBondContact O-N 2.81Å; E27-R30 WeakPolarHBondContact O-CB 3.43Å; E27-R30 PolarHBondContact O-N 3.46Å; E27-R30 VanDerWaalsContact O-N 3.11Å; R30-V33 PolarHBondContact O-N 2.84Å; R30-N34 WeakPolarHBondContact O-CB 3.34Å; R30-N34 PolarHBondContact O-N 3.33Å; R30-L65 HydrophobicContact CG-CB 4.25Å; R30-L65 PolarHBondContact NE-O 3.19Å; R30-L65 PolarHBondContact NH2-O 3.44Å; R30-H66 PolarHBondContact NH2-O 2.88Å; R30-L68 PolarHBondContact NH2-O 3.16Å; R30-L68 VanDerWaalsContact NH2-O 3.16Å
31D87.8Confident84.5Confident73 Ų7337.4 Ų37.439%0.3919%0.192SC..Hα-helixtrans-66.1-41.7177.8-70.8-19.7000111.4E27 E29 N34 L35E27-D31 PolarHBondContact O-N 3.22Å; E29-D31 VanDerWaalsContact C-N 3.33Å; E29-D31 PolarHBondContact O-N 2.91Å; D31-N34 PolarHBondContact O-N 3.29Å; D31-L35 WeakPolarHBondContact O-CB 3.17Å; D31-L35 PolarHBondContact O-N 2.96Å
32A87.5Confident84.4Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-59.7-45.4173.800000112.7A28 E29 L35 I36 F102 L167 L171A28-A32 WeakPolarHBondContact O-CB 3.27Å; A28-A32 PolarHBondContact O-N 2.95Å; E29-A32 WeakPolarHBondContact O-CB 3.35Å; E29-A32 PolarHBondContact O-N 2.83Å; A32-L35 PolarHBondContact O-N 3.44Å; A32-I36 WeakPolarHBondContact O-CG1 3.22Å; A32-I36 PolarHBondContact O-N 3.45Å; A32-F102 HydrophobicContact CB-CE1 3.85Å; A32-F102 HydrophobicContact CB-CZ 4.27Å; A32-L167 HydrophobicContact CB-CB 4.46Å; A32-L171 HydrophobicContact CB-CD1 3.41Å; A32-L171 VanDerWaalsContact CB-CD1 3.41Å
33V88Confident84.4Confident3 Ų341.6 Ų41.62%0.01822%0.216CC..Hα-helixtrans-62.9-43.8176.7172.90000110.7I8 V10 E29 R30 L35 I36 V37 L65 F102I8-V33 HydrophobicContact CD1-CG1 4.06Å; I8-V33 HydrophobicContact CG2-CG1 4.27Å; I8-V33 HydrophobicContact CG2-CG2 4.1Å; V10-V33 HydrophobicContact CG2-CG2 3.97Å; E29-V33 VanDerWaalsContact O-CG2 3.28Å; E29-V33 WeakPolarHBondContact O-CG2 3.26Å; E29-V33 PolarHBondContact O-N 3.25Å; R30-V33 PolarHBondContact O-N 2.84Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; V33-I36 PolarHBondContact O-N 2.74Å; V33-V37 HydrophobicContact CG1-CG2 4.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.23Å; V33-V37 PolarHBondContact O-N 3.46Å; V33-L65 HydrophobicContact CB-CD1 4.11Å; V33-L65 HydrophobicContact CG1-CD1 3.69Å; V33-F102 HydrophobicContact CG2-CD2 4.37Å; V33-F102 HydrophobicContact CG2-CE1 4.35Å; V33-F102 HydrophobicContact CG2-CE2 3.76Å; V33-F102 HydrophobicContact CG2-CZ 3.77Å
34N86.1Confident84.5Confident57 Ų5738.9 Ų38.931%0.30520%0.196SC..Hα-helixtrans-61-42.8177.1-173.323.9000111.6R30 D31 V37 Q38R30-N34 WeakPolarHBondContact O-CB 3.34Å; R30-N34 PolarHBondContact O-N 3.33Å; D31-N34 PolarHBondContact O-N 3.29Å; N34-V37 PolarHBondContact O-N 3.01Å; N34-Q38 PolarHBondContact ND2-NE2 2.92Å; N34-Q38 WeakPolarHBondContact O-CB 3.5Å; N34-Q38 VanDerWaalsContact O-CG 3.28Å; N34-Q38 WeakPolarHBondContact O-CG 3.19Å; N34-Q38 PolarHBondContact O-N 3.39Å; N34-Q38 PolarHBondContact OD1-NE2 3.22Å
35L85.2Confident84.1Confident35 Ų3541.4 Ų41.418%0.18322%0.22CC..Hα-helixtrans-60.2-47175.7-179.665.5000111.8D31 A32 V33 V37 Q38 C39 Q168 L172D31-L35 WeakPolarHBondContact O-CB 3.17Å; D31-L35 PolarHBondContact O-N 2.96Å; A32-L35 PolarHBondContact O-N 3.44Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.41Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 2.92Å; L35-Q38 PolarHBondContact O-N 2.93Å; L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3.05Å; L35-C39 PolarHBondContact O-SG 3.28Å; L35-Q168 HydrophobicContact CD2-CB 3.83Å; L35-L172 HydrophobicContact CD1-CD2 4.28Å; L35-L172 HydrophobicContact CD2-CD2 4.13Å; L35-L172 HydrophobicContact CD2-CG 4.04Å
36I85.5Confident83.5Confident1 Ų147.6 Ų47.61%0.00525%0.249CC..Hα-helixtrans-60-46.5177.8-67.5174.6000110.6I8 A32 V33 Q38 C39 K40 V100 F102 I129 L171 I176I8-I36 HydrophobicContact CD1-CG2 4.13Å; A32-I36 WeakPolarHBondContact O-CG1 3.22Å; A32-I36 PolarHBondContact O-N 3.45Å; V33-I36 PolarHBondContact O-N 2.74Å; I36-Q38 PolarHBondContact O-N 3.05Å; I36-C39 PolarHBondContact O-N 2.93Å; I36-K40 HydrophobicContact CG2-CG 4.25Å; I36-K40 VanDerWaalsContact O-CG 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.21Å; I36-K40 PolarHBondContact O-N 3.47Å; I36-V100 HydrophobicContact CD1-CG1 4.12Å; I36-F102 HydrophobicContact CD1-CE2 4.04Å; I36-F102 HydrophobicContact CD1-CZ 3.59Å; I36-I129 HydrophobicContact CD1-CD1 4.21Å; I36-L171 HydrophobicContact CD1-CD1 4.35Å; I36-L171 HydrophobicContact CD1-CD2 4.47Å; I36-I176 HydrophobicContact CD1-CG2 4.37Å
37V84Confident83Confident5 Ų547.1 Ų47.13%0.0325%0.246CC..Hα-helixtrans-58.4-48.6178.4174.60000110.5I8 V33 N34 L35 C39 K40 L41 V49 N58I8-V37 HydrophobicContact CD1-CG2 3.98Å; V33-V37 HydrophobicContact CG1-CG2 4.31Å; V33-V37 WeakPolarHBondContact O-CG2 3.23Å; V33-V37 PolarHBondContact O-N 3.46Å; N34-V37 PolarHBondContact O-N 3.01Å; L35-V37 VanDerWaalsContact C-N 3.35Å; L35-V37 PolarHBondContact O-N 2.92Å; V37-C39 PolarHBondContact O-N 2.83Å; V37-K40 PolarHBondContact O-N 2.91Å; V37-L41 HydrophobicContact CG1-CD1 3.75Å; V37-L41 HydrophobicContact CG1-CG 4.45Å; V37-L41 WeakPolarHBondContact O-CB 3.45Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.37Å; V37-V49 HydrophobicContact CG2-CG1 3.86Å; V37-N58 VanDerWaalsContact CG1-OD1 3.3Å; V37-N58 WeakPolarHBondContact CG1-OD1 3.3Å
38Q83Confident82.2Confident77 Ų7744.3 Ų44.336%0.3624%0.235SC..Hα-helixtrans-62.3-43.7178.7-71.81782200112.2N34 L35 I36 L41 R42N34-Q38 PolarHBondContact ND2-NE2 2.92Å; N34-Q38 WeakPolarHBondContact O-CB 3.5Å; N34-Q38 VanDerWaalsContact O-CG 3.28Å; N34-Q38 WeakPolarHBondContact O-CG 3.19Å; N34-Q38 PolarHBondContact O-N 3.39Å; N34-Q38 PolarHBondContact OD1-NE2 3.22Å; L35-Q38 PolarHBondContact O-N 2.93Å; I36-Q38 PolarHBondContact O-N 3.05Å; Q38-L41 PolarHBondContact O-N 3.12Å; Q38-R42 WeakPolarHBondContact O-CB 3.37Å; Q38-R42 VanDerWaalsContact O-CG 3.26Å; Q38-R42 WeakPolarHBondContact O-CG 3.5Å; Q38-R42 PolarHBondContact O-N 3.38Å
39C82.3Confident81.4Confident24 Ų2444.6 Ų44.616%0.16224%0.237CC..Hα-helixtrans-63.3-42.5177.6-740000112L35 I36 V37 R42 A43 I177L35-C39 WeakPolarHBondContact O-CB 3.37Å; L35-C39 PolarHBondContact O-N 3.05Å; L35-C39 PolarHBondContact O-SG 3.28Å; I36-C39 PolarHBondContact O-N 2.93Å; V37-C39 PolarHBondContact O-N 2.83Å; C39-R42 PolarHBondContact O-N 3.35Å; C39-A43 WeakPolarHBondContact O-CB 3.29Å; C39-A43 PolarHBondContact O-N 3.33Å; C39-I177 HydrophobicContact CB-CB 4.47Å; C39-I177 HydrophobicContact CB-CD1 4.24Å; C39-I177 HydrophobicContact CB-CG1 3.98Å; C39-I177 HydrophobicContact CB-CG2 3.88Å
40K80.8Confident80.2Confident5 Ų545.3 Ų45.32%0.02224%0.241CC..Hα-helixtrans-68.1-36.7177.8-65.4-31.8-153.6144.10113.2E4 I36 V37 A43 N44 N47 V49 I176E4-K40 VanDerWaalsContact CD-NZ 3.29Å; E4-K40 WeakPolarHBondContact OE1-CD 3.3Å; E4-K40 WeakPolarHBondContact OE1-CE 3.08Å; E4-K40 IonicContact OE1-NZ 2.78Å; E4-K40 PolarHBondContact OE1-NZ 3.4Å; E4-K40 IonicContact OE2-NZ 3.8Å; E4-K40 PolarHBondContact OE2-NZ 2.97Å; I36-K40 HydrophobicContact CG2-CG 4.25Å; I36-K40 VanDerWaalsContact O-CG 3.32Å; I36-K40 WeakPolarHBondContact O-CG 3.21Å; I36-K40 PolarHBondContact O-N 3.47Å; V37-K40 PolarHBondContact O-N 2.91Å; K40-A43 PolarHBondContact O-N 3.4Å; K40-N44 PolarHBondContact O-N 2.89Å; K40-N47 PolarHBondContact O-ND2 2.86Å; K40-V49 HydrophobicContact CB-CG2 4.04Å; K40-I176 WeakPolarHBondContact CE-O 3.34Å; K40-I176 PolarHBondContact NZ-O 2.99Å
41L80.1Confident78.8Confident48 Ų4843.7 Ų43.725%0.25124%0.238SC..Hα-helixtrans-71.8-35.8176.1-71.8170.2000112.7V37 Q38 A43 N44 A45 N58V37-L41 HydrophobicContact CG1-CD1 3.75Å; V37-L41 HydrophobicContact CG1-CG 4.45Å; V37-L41 WeakPolarHBondContact O-CB 3.45Å; V37-L41 VanDerWaalsContact O-CG 3.26Å; V37-L41 WeakPolarHBondContact O-CG 3.4Å; V37-L41 PolarHBondContact O-N 3.37Å; Q38-L41 PolarHBondContact O-N 3.12Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-N44 CarbonylContact O-C 3.55Å; L41-A45 PolarHBondContact O-N 3.25Å; L41-N58 WeakPolarHBondContact CD1-ND2 3.27Å; L41-N58 WeakPolarHBondContact CD1-OD1 3.42Å
42R80.8Confident76.9Confident206 Ų20645.1 Ų45.178%0.77724%0.242SC*.Hα-helixtrans-66.2-36.7172.2-76.1179.4-175.1-171.44.3111.8Q38 C39Q38-R42 WeakPolarHBondContact O-CB 3.37Å; Q38-R42 VanDerWaalsContact O-CG 3.26Å; Q38-R42 WeakPolarHBondContact O-CG 3.5Å; Q38-R42 PolarHBondContact O-N 3.38Å; C39-R42 PolarHBondContact O-N 3.35Å
43A79.4Confident74.9Confident60 Ų6051.3 Ų51.350%0.49628%0.275SS..Hα-helixtrans-63.9-48.517900000111.8C39 K40 L41C39-A43 WeakPolarHBondContact O-CB 3.29Å; C39-A43 PolarHBondContact O-N 3.33Å; K40-A43 PolarHBondContact O-N 3.4Å; L41-A43 VanDerWaalsContact C-N 3.32Å
44N77.3Confident73Confident31 Ų3152 Ų5217%0.16628%0.279CS..  trans-146.9132167.3-50.4-72.6000109.8G2 K40 L41 E46 N47G2-N44 PolarHBondContact O-ND2 3.47Å; K40-N44 PolarHBondContact O-N 2.89Å; L41-N44 CarbonylContact O-C 3.55Å; N44-E46 PolarHBondContact O-N 2.81Å; N44-N47 PolarHBondContact ND2-OD1 3.48Å; N44-N47 WeakPolarHBondContact O-CB 3.47Å; N44-N47 PolarHBondContact O-N 2.94Å; N44-N47 VanDerWaalsContact O-N 3.1Å
45A74.9Confident71.3Confident93 Ų9353.7 Ų53.777%0.76929%0.285SS*.THydrogen-bonded Turntrans-64.1-24.2178.800000113.4L41 N47L41-A45 PolarHBondContact O-N 3.25Å; A45-N47 VanDerWaalsContact C-N 3.33Å
46E74.7Confident69.8Low134 Ų13457.8 Ų57.863%0.62630%0.301SS*.THydrogen-bonded Turntrans-83.9-5.2178.2-65.6-174.6178.100113.5L3 N44 T48 H95L3-E46 HydrophobicContact CD2-CB 3.53Å; L3-E46 HydrophobicContact CD2-CG 4.46Å; L3-E46 WeakPolarHBondContact CD2-OE2 3.37Å; N44-E46 PolarHBondContact O-N 2.81Å; E46-T48 PolarHBondContact O-N 3.15Å; E46-H95 PolarHBondContact O-CE1 2.95Å; E46-H95 VanDerWaalsContact O-CE1 3.29Å
47N74.7Confident68.9Low6 Ų661 Ų613%0.03232%0.319CS..  trans-64.2126.6177.6-79.9-5.5000110.5E4 K40 N44 A45E4-N47 HydrophobicContact CG-CB 4.36Å; E4-N47 VanDerWaalsContact CG-CG 3.41Å; E4-N47 WeakPolarHBondContact CG-ND2 3.23Å; E4-N47 WeakPolarHBondContact CG-OD1 3.23Å; E4-N47 PolarHBondContact N-OD1 3.46Å; E4-N47 WeakPolarHBondContact O-CA 3.22Å; E4-N47 PolarHBondContact OE1-ND2 2.78Å; K40-N47 PolarHBondContact O-ND2 2.86Å; N44-N47 PolarHBondContact ND2-OD1 3.48Å; N44-N47 WeakPolarHBondContact O-CB 3.47Å; N44-N47 PolarHBondContact O-N 2.94Å; N44-N47 VanDerWaalsContact O-N 3.1Å; A45-N47 VanDerWaalsContact C-N 3.33Å
48T72.2Confident68.2Low23 Ų2364.4 Ų64.414%0.14134%0.337CS..EExtended strand (participates in β ladder)trans-93.6113176.6-49.90000109E4 S5 T6 E46 V50 F56E4-T48 PolarHBondContact O-N 2.81Å; S5-T48 WeakPolarHBondContact CA-O 3.35Å; T6-T48 PolarHBondContact N-O 2.76Å; E46-T48 PolarHBondContact O-N 3.15Å; T48-V50 HydrophobicContact CG2-CG2 3.87Å; T48-F56 HydrophobicContact CG2-CE1 4.18Å
49V70Confident67.8Low9 Ų963 Ų636%0.05534%0.343CS..EExtended strand (participates in β ladder)trans-94.7123.7167.6-173.40000108.4T6 I8 V37 K40T6-V49 WeakPolarHBondContact O-CA 3.14Å; I8-V49 HydrophobicContact CD1-CG1 3.69Å; I8-V49 HydrophobicContact CG1-CG1 4.18Å; V37-V49 HydrophobicContact CG2-CG1 3.86Å; K40-V49 HydrophobicContact CB-CG2 4.04Å
50V62.4Low67.6Low17 Ų1767.6 Ų67.610%0.10336%0.357CS..EExtended strand (participates in β ladder)trans-113.3120177-173.10000107.3T6 M7 I8 T48 H55T6-V50 PolarHBondContact O-N 3.39Å; M7-V50 WeakPolarHBondContact CA-O 3.28Å; M7-V50 HydrophobicContact CE-CG1 4.36Å; M7-V50 HydrophobicContact SD-CB 3.67Å; M7-V50 HydrophobicContact SD-CG1 3.61Å; I8-V50 PolarHBondContact N-O 3.3Å; T48-V50 HydrophobicContact CG2-CG2 3.87Å; V50-H55 VanDerWaalsContact CG1-CD2 3.49Å; V50-H55 WeakPolarHBondContact CG1-CD2 3.01Å; V50-H55 WeakPolarHBondContact CG1-NE2 3.17Å; V50-H55 VanDerWaalsContact CG2-CD2 3.44Å; V50-H55 WeakPolarHBondContact CG2-CD2 3.3Å
51G57.3Low67.5Low11 Ų1168 Ų6811%0.11336%0.359CS..EExtended strand (participates in β ladder)trans-83.3166.3166.600000109.9L53 T54G51-L53 PolarHBondContact O-N 2.89Å; G51-T54 PolarHBondContact N-O 2.78Å; G51-T54 PolarHBondContact O-N 2.79Å
52Q49.2Very low67.6Low102 Ų10270.5 Ų70.548%0.47737%0.368SS..THydrogen-bonded Turntrans-42.5-25.3-179.5-162.6172-2.400115.5M7M7-Q52 VanDerWaalsContact CE-CA 3.45Å
53L44.7Very low67.7Low131 Ų13166.4 Ų66.469%0.68636%0.359SS*.THydrogen-bonded Turntrans-139.78.3-174.8-76.7150000116.3G51 K64G51-L53 PolarHBondContact O-N 2.89Å; L53-K64 HydrophobicContact CB-CD 4.13Å; L53-K64 PolarHBondContact O-NZ 3.49Å
54T48Very low67.8Low16 Ų1667.9 Ų67.910%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-150131.9177.747.70000113.3G51 R60 I61 K64G51-T54 PolarHBondContact N-O 2.78Å; G51-T54 PolarHBondContact O-N 2.79Å; T54-R60 HydrophobicContact CG2-CB 4.22Å; T54-I61 VanDerWaalsContact OG1-CG1 3.28Å; T54-I61 WeakPolarHBondContact OG1-CG1 3.29Å; T54-K64 HydrophobicContact CG2-CD 3.76Å
55H51.4Low68.1Low94 Ų9467.4 Ų67.444%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-93.5140.3165.7-54.980.3000107.8V50 D57V50-H55 VanDerWaalsContact CG1-CD2 3.49Å; V50-H55 WeakPolarHBondContact CG1-CD2 3.01Å; V50-H55 WeakPolarHBondContact CG1-NE2 3.17Å; V50-H55 VanDerWaalsContact CG2-CD2 3.44Å; V50-H55 WeakPolarHBondContact CG2-CD2 3.3Å; H55-D57 PolarHBondContact O-N 3.45Å
56F53.9Low68.5Low120 Ų12068.7 Ų68.753%0.52634%0.342SS..SBendtrans91.5-44.2162.4-56-72.8000120.9T48T48-F56 HydrophobicContact CG2-CE1 4.18Å
57D66.1Low69Low69 Ų6969 Ų6937%0.36934%0.343SS..  trans-107.5111.3-170.4-60.2-49.5000113.5H55 G59 R60 I61H55-D57 PolarHBondContact O-N 3.45Å; D57-G59 PolarHBondContact O-N 2.78Å; D57-G59 VanDerWaalsContact O-N 3.14Å; D57-R60 HydrophobicContact CB-CB 3.96Å; D57-R60 HydrophobicContact CB-CG 3.67Å; D57-R60 WeakPolarHBondContact O-CB 3.36Å; D57-R60 PolarHBondContact O-N 3.11Å; D57-R60 VanDerWaalsContact OD2-CD 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.46Å; D57-R60 IonicContact OD2-CZ 3.15Å; D57-R60 IonicContact OD2-NE 3.05Å; D57-R60 PolarHBondContact OD2-NE 3.22Å; D57-R60 IonicContact OD2-NH1 3.41Å; D57-R60 PolarHBondContact OD2-NH1 3.29Å; D57-R60 IonicContact OD2-NH2 3.75Å; D57-I61 PolarHBondContact O-N 3.48Å
58N68.4Low69.4Low77 Ų7770.9 Ų70.941%0.41235%0.353SS..Hα-helixtrans-47.9-42.5173.5-64.7-18.6000112.6V37 L41 R60 I61 F62V37-N58 VanDerWaalsContact CG1-OD1 3.3Å; V37-N58 WeakPolarHBondContact CG1-OD1 3.3Å; L41-N58 WeakPolarHBondContact CD1-ND2 3.27Å; L41-N58 WeakPolarHBondContact CD1-OD1 3.42Å; N58-R60 VanDerWaalsContact C-N 3.35Å; N58-R60 PolarHBondContact O-N 3.22Å; N58-I61 PolarHBondContact O-N 3.23Å; N58-F62 PolarHBondContact O-N 3.08Å
59G75.2Confident70Confident47 Ų4773.5 Ų73.549%0.48537%0.369SS..Hα-helixtrans-63.2-38.517800000112.9D57 F62 M63D57-G59 PolarHBondContact O-N 2.78Å; D57-G59 VanDerWaalsContact O-N 3.14Å; G59-F62 PolarHBondContact O-N 3.38Å; G59-M63 VanDerWaalsContact O-CG 3.29Å; G59-M63 WeakPolarHBondContact O-CG 3.28Å; G59-M63 PolarHBondContact O-N 3.43Å
60R79Confident70.7Confident120 Ų12074.1 Ų74.145%0.45337%0.373SS..Hα-helixtrans-71-37.5178-65.4-177.1-178.4176.10.3111.8T54 D57 N58 M63 K64T54-R60 HydrophobicContact CG2-CB 4.22Å; D57-R60 HydrophobicContact CB-CB 3.96Å; D57-R60 HydrophobicContact CB-CG 3.67Å; D57-R60 WeakPolarHBondContact O-CB 3.36Å; D57-R60 PolarHBondContact O-N 3.11Å; D57-R60 VanDerWaalsContact OD2-CD 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.46Å; D57-R60 IonicContact OD2-CZ 3.15Å; D57-R60 IonicContact OD2-NE 3.05Å; D57-R60 PolarHBondContact OD2-NE 3.22Å; D57-R60 IonicContact OD2-NH1 3.41Å; D57-R60 PolarHBondContact OD2-NH1 3.29Å; D57-R60 IonicContact OD2-NH2 3.75Å; N58-R60 VanDerWaalsContact C-N 3.35Å; N58-R60 PolarHBondContact O-N 3.22Å; R60-M63 PolarHBondContact O-N 3.47Å; R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.05Å; R60-K64 VanDerWaalsContact O-N 3.08Å
61I78.8Confident71.8Confident14 Ų1480.2 Ų80.27%0.07240%0.398CS..Hα-helixtrans-59-50.7173.9-64167.8000109T54 D57 N58 M63 K64 L65T54-I61 VanDerWaalsContact OG1-CG1 3.28Å; T54-I61 WeakPolarHBondContact OG1-CG1 3.29Å; D57-I61 PolarHBondContact O-N 3.48Å; N58-I61 PolarHBondContact O-N 3.23Å; I61-M63 PolarHBondContact O-N 3.01Å; I61-K64 PolarHBondContact O-N 3.46Å; I61-L65 HydrophobicContact CG2-CD1 3.78Å; I61-L65 HydrophobicContact CG2-CG 4.25Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 3.4Å
62F81.2Confident73Confident101 Ų10181.6 Ų81.644%0.44341%0.413SS..Hα-helixtrans-60.4-44.6179.9-175.9-102000112.9N58 G59 K64 L65 H66N58-F62 PolarHBondContact O-N 3.08Å; G59-F62 PolarHBondContact O-N 3.38Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.91Å; F62-L65 PolarHBondContact O-N 3.41Å; F62-H66 PolarHBondContact O-N 3.29Å
63M82.8Confident74.6Confident119 Ų11983.8 Ų83.859%0.58642%0.423SS*.Hα-helixtrans-60.2-41.3177.1-71.8179.477.100112.5G59 R60 I61 H66 Q67G59-M63 VanDerWaalsContact O-CG 3.29Å; G59-M63 WeakPolarHBondContact O-CG 3.28Å; G59-M63 PolarHBondContact O-N 3.43Å; R60-M63 PolarHBondContact O-N 3.47Å; I61-M63 PolarHBondContact O-N 3.01Å; M63-H66 PolarHBondContact O-N 3.41Å; M63-Q67 WeakPolarHBondContact O-CG 3.44Å; M63-Q67 PolarHBondContact O-N 3.15Å
64K81.6Confident76.3Confident91 Ų9178.6 Ų78.640%0.39640%0.398SS..Hα-helixtrans-69.4-39.2176.9-72.4-169.8-177.6-170.70112.2L53 T54 R60 I61 F62 H66 Q67 L68L53-K64 HydrophobicContact CB-CD 4.13Å; L53-K64 PolarHBondContact O-NZ 3.49Å; T54-K64 HydrophobicContact CG2-CD 3.76Å; R60-K64 WeakPolarHBondContact O-CG 3.45Å; R60-K64 PolarHBondContact O-N 3.05Å; R60-K64 VanDerWaalsContact O-N 3.08Å; I61-K64 PolarHBondContact O-N 3.46Å; F62-K64 VanDerWaalsContact C-N 3.33Å; F62-K64 PolarHBondContact O-N 2.91Å; K64-H66 VanDerWaalsContact C-N 3.3Å; K64-H66 PolarHBondContact O-N 2.9Å; K64-Q67 PolarHBondContact O-N 2.98Å; K64-L68 PolarHBondContact O-N 3.49Å; K64-L68 VanDerWaalsContact O-N 3.16Å
65L82.6Confident78.1Confident21 Ų2182.7 Ų82.711%0.1142%0.416CS..Hα-helixtrans-64.4-35.3175.9-71.1174.8000112.2V10 R30 V33 I61 F62 Q67 L68V10-L65 HydrophobicContact CG1-CD2 4.21Å; V10-L65 HydrophobicContact CG2-CD2 3.91Å; R30-L65 HydrophobicContact CG-CB 4.25Å; R30-L65 PolarHBondContact NE-O 3.19Å; R30-L65 PolarHBondContact NH2-O 3.44Å; V33-L65 HydrophobicContact CB-CD1 4.11Å; V33-L65 HydrophobicContact CG1-CD1 3.69Å; I61-L65 HydrophobicContact CG2-CD1 3.78Å; I61-L65 HydrophobicContact CG2-CG 4.25Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 3.4Å; F62-L65 PolarHBondContact O-N 3.41Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; L65-L68 WeakPolarHBondContact O-CB 3.36Å; L65-L68 PolarHBondContact O-N 2.79Å
66H84Confident79.6Confident121 Ų12178.4 Ų78.456%0.5640%0.396SS*.Hα-helixtrans-67.9-34.6174.6-170.1-81.1000112.3R30 F62 M63 K64 L68R30-H66 PolarHBondContact NH2-O 2.88Å; F62-H66 PolarHBondContact O-N 3.29Å; M63-H66 PolarHBondContact O-N 3.41Å; K64-H66 VanDerWaalsContact C-N 3.3Å; K64-H66 PolarHBondContact O-N 2.9Å; H66-L68 PolarHBondContact O-N 3.22Å
67Q84.6Confident81.2Confident140 Ų14073.6 Ų73.665%0.65438%0.375SS*.Hα-helixtrans-75.5-11.6175-68.7172.89.900113.4M63 K64 L65 T69M63-Q67 WeakPolarHBondContact O-CG 3.44Å; M63-Q67 PolarHBondContact O-N 3.15Å; K64-Q67 PolarHBondContact O-N 2.98Å; L65-Q67 VanDerWaalsContact C-N 3.34Å; Q67-T69 PolarHBondContact O-N 3.01Å; Q67-T69 VanDerWaalsContact O-N 3.11Å
68L84.4Confident82.2Confident45 Ų4573.5 Ų73.524%0.23638%0.378CS..  trans-65.9112.8-179.4-167.171.7000109.7V10 L26 R30 K64 L65 H66V10-L68 HydrophobicContact CG1-CD2 3.67Å; L26-L68 HydrophobicContact CD1-CD2 4.19Å; R30-L68 PolarHBondContact NH2-O 3.16Å; R30-L68 VanDerWaalsContact NH2-O 3.16Å; K64-L68 PolarHBondContact O-N 3.49Å; K64-L68 VanDerWaalsContact O-N 3.16Å; L65-L68 WeakPolarHBondContact O-CB 3.36Å; L65-L68 PolarHBondContact O-N 2.79Å; H66-L68 PolarHBondContact O-N 3.22Å
69T85.1Confident83.1Confident79 Ų7971 Ų7149%0.48537%0.367SS..  trans-96.9131.917161.60000109.5Q67 K71Q67-T69 PolarHBondContact O-N 3.01Å; Q67-T69 VanDerWaalsContact O-N 3.11Å; T69-K71 PolarHBondContact O-N 3.25Å; T69-K71 WeakPolarHBondContact OG1-CE 3.42Å
70P83.7Confident83.8Confident22 Ų2269 Ų6914%0.14335%0.346CS..  trans-69.9117.5-179.528.7-32.7000109.8S12 M16 R17 L26S12-P70 CarbonylContact O-C 3.22Å; S12-P70 VanDerWaalsContact O-CA 3.28Å; S12-P70 WeakPolarHBondContact O-CA 3.31Å; M16-P70 HydrophobicContact CB-CB 4.01Å; R17-P70 HydrophobicContact CG-CB 4.27Å; R17-P70 HydrophobicContact CG-CG 3.77Å; R17-P70 PolarHBondContact NH2-O 3.31Å; L26-P70 HydrophobicContact CD2-CG 4.35Å
71K85.2Confident84.3Confident144 Ų14469.5 Ų69.563%0.62635%0.347SS*.  trans-149.5135.6-179.8-65-176.8-178.8174.70110.3S12 T69S12-K71 CarbonylContact O-C 3.58Å; S12-K71 PolarHBondContact O-N 3.44Å; S12-K71 VanDerWaalsContact O-O 3.04Å; T69-K71 PolarHBondContact O-N 3.25Å; T69-K71 WeakPolarHBondContact OG1-CE 3.42Å
72G84.1Confident84.7Confident41 Ų4172.1 Ų72.142%0.42336%0.364SS..SBendtrans89.3-165.5168.100000115.4S13 E14S13-G72 CarbonylContact C-O 3.57Å; S13-G72 VanDerWaalsContact CA-O 3.26Å; S13-G72 WeakPolarHBondContact CA-O 3.25Å; E14-G72 WeakPolarHBondContact CG-O 3.43Å; E14-G72 PolarHBondContact N-O 3.16Å
73E82.7Confident85.1Confident147 Ų14767.4 Ų67.469%0.68734%0.343SS*.  trans-105.1148.8-177.6-61.8-176.4167.300111
74C80Confident85.2Confident23 Ų2363.3 Ų63.316%0.15532%0.323CS..  trans-77.7126.3175.1-176.20000111.3S105C74-S105 WeakPolarHBondContact CB-OG 3.11Å
75Q84.5Confident85.4Confident102 Ų10263.6 Ų63.648%0.47733%0.328SS..  trans-119.784.3172.7-66.6-172.8-3.700110.1M77 T78 A79Q75-M77 PolarHBondContact O-N 2.93Å; Q75-T78 PolarHBondContact O-N 3.45Å; Q75-T78 PolarHBondContact OE1-OG1 3.46Å; Q75-A79 PolarHBondContact O-N 2.89Å
76P84.4Confident85.5Confident3 Ų363.8 Ų63.82%0.01933%0.333CS..Hα-helixtrans-61.9-29.5-178.224.2-33.3000112.2T78 A79 I80 I107P76-T78 PolarHBondContact O-N 2.98Å; P76-A79 PolarHBondContact O-N 3.29Å; P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.18Å; P76-I80 PolarHBondContact O-N 3.44Å; P76-I107 HydrophobicContact CG-CD1 4.21Å; P76-I107 HydrophobicContact CG-CG1 4.44Å; P76-I107 HydrophobicContact CG-CG2 3.92Å
77M86.5Confident85.5Confident19 Ų1958.4 Ų58.49%0.09431%0.308CS..Hα-helixtrans-58.5-45.9178-65.5-61-79.900113.3Q75 R81 I111 Q112 I115Q75-M77 PolarHBondContact O-N 2.93Å; M77-R81 VanDerWaalsContact O-CG 3.29Å; M77-R81 WeakPolarHBondContact O-CG 3.47Å; M77-R81 PolarHBondContact O-N 3.35Å; M77-I111 HydrophobicContact SD-CB 4.14Å; M77-I111 HydrophobicContact SD-CG1 4.38Å; M77-I111 HydrophobicContact SD-CG2 3.8Å; M77-Q112 HydrophobicContact CE-CB 3.6Å; M77-Q112 HydrophobicContact CE-CG 3.68Å; M77-Q112 VanDerWaalsContact CE-N 3.33Å; M77-I115 HydrophobicContact CB-CD1 4.44Å; M77-I115 HydrophobicContact CE-CD1 3.19Å; M77-I115 HydrophobicContact CE-CG1 3.76Å; M77-I115 HydrophobicContact SD-CD1 3.59Å; M77-I115 VanDerWaalsContact SD-CD1 3.59Å; M77-I115 HydrophobicContact SD-CG1 4.46Å
78T87.9Confident85.4Confident68 Ų6856.9 Ų56.942%0.41730%0.299SS..Hα-helixtrans-72.3-41.5179.9-54.80000110Q75 P76 I80 R81 V82Q75-T78 PolarHBondContact O-N 3.45Å; Q75-T78 PolarHBondContact OE1-OG1 3.46Å; P76-T78 PolarHBondContact O-N 2.98Å; T78-I80 PolarHBondContact O-N 3.25Å; T78-R81 PolarHBondContact O-N 2.93Å; T78-V82 WeakPolarHBondContact O-CG2 3.37Å; T78-V82 PolarHBondContact O-N 2.74Å
79A88Confident85.1Confident23 Ų2361.9 Ų61.919%0.1932%0.321CS..Hα-helixtrans-58.3-48.2177.500000112C9 Q75 P76 R81 V82 A83C9-A79 HydrophobicContact CB-CB 4.31Å; Q75-A79 PolarHBondContact O-N 2.89Å; P76-A79 PolarHBondContact O-N 3.29Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.06Å; A79-V82 PolarHBondContact O-N 2.86Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.04Å
80I89.1Confident84.7Confident6 Ų660.7 Ų60.73%0.03131%0.308CS..Hα-helixtrans-63.8-37.9178.5-65.3165.1000111.4P76 T78 A83 H84 V101 I115 L119 F144P76-I80 VanDerWaalsContact O-CG1 3.26Å; P76-I80 WeakPolarHBondContact O-CG1 3.18Å; P76-I80 PolarHBondContact O-N 3.44Å; T78-I80 PolarHBondContact O-N 3.25Å; I80-A83 PolarHBondContact O-N 3.49Å; I80-H84 VanDerWaalsContact O-CB 3.29Å; I80-H84 WeakPolarHBondContact O-CB 3.49Å; I80-H84 PolarHBondContact O-N 3.3Å; I80-V101 HydrophobicContact CG1-CG2 4.3Å; I80-I115 HydrophobicContact CB-CG2 4.48Å; I80-I115 HydrophobicContact CG2-CG2 3.63Å; I80-L119 HydrophobicContact CG2-CD1 4.03Å; I80-L119 HydrophobicContact CG2-CD2 4.29Å; I80-F144 HydrophobicContact CD1-CZ 4.19Å
81R88.4Confident84Confident131 Ų13167 Ų6749%0.49434%0.335SS..Hα-helixtrans-64.5-42.9176-73173-170.7-179.13.2112.2M77 T78 A79 H84 L85 I115M77-R81 VanDerWaalsContact O-CG 3.29Å; M77-R81 WeakPolarHBondContact O-CG 3.47Å; M77-R81 PolarHBondContact O-N 3.35Å; T78-R81 PolarHBondContact O-N 2.93Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 3.06Å; R81-H84 PolarHBondContact O-N 3.49Å; R81-L85 PolarHBondContact O-N 3.14Å; R81-I115 HydrophobicContact CG-CD1 4.22Å
82V88.7Confident83.5Confident69 Ų6964 Ų6442%0.41833%0.326SS..Hα-helixtrans-65.9-43.6176.6174.10000110.3T78 A79 H84 L85 A86T78-V82 WeakPolarHBondContact O-CG2 3.37Å; T78-V82 PolarHBondContact O-N 2.74Å; A79-V82 PolarHBondContact O-N 2.86Å; V82-H84 VanDerWaalsContact C-N 3.35Å; V82-H84 PolarHBondContact O-N 3.02Å; V82-L85 PolarHBondContact O-N 3.46Å; V82-A86 WeakPolarHBondContact O-CB 3.49Å; V82-A86 PolarHBondContact O-N 3.14Å
83A88.4Confident83.3Confident1 Ų172 Ų721%0.00834%0.344CS..Hα-helixtrans-59.9-44.1175.800000112M7 A79 I80 L85 A86 L87 I99M7-A83 HydrophobicContact CB-CB 4.35Å; M7-A83 HydrophobicContact CG-CB 3.7Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.04Å; I80-A83 PolarHBondContact O-N 3.49Å; A83-L85 VanDerWaalsContact C-N 3.35Å; A83-L85 PolarHBondContact O-N 3.24Å; A83-A86 PolarHBondContact O-N 3.3Å; A83-L87 VanDerWaalsContact O-CG 3.29Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 2.85Å; A83-I99 HydrophobicContact CB-CD1 3.84Å; A83-I99 HydrophobicContact CB-CG1 4.16Å; A83-I99 HydrophobicContact CB-CG2 4Å
84H85.5Confident83.2Confident34 Ų3472.3 Ų72.316%0.15735%0.35CS..Hα-helixtrans-60.7-41.9174.9178.460.1000112.4I80 R81 V82 L87 K88 E122I80-H84 VanDerWaalsContact O-CB 3.29Å; I80-H84 WeakPolarHBondContact O-CB 3.49Å; I80-H84 PolarHBondContact O-N 3.3Å; R81-H84 PolarHBondContact O-N 3.49Å; V82-H84 VanDerWaalsContact C-N 3.35Å; V82-H84 PolarHBondContact O-N 3.02Å; H84-L87 PolarHBondContact O-N 3.03Å; H84-K88 WeakPolarHBondContact CE1-CE 3.46Å; H84-K88 VanDerWaalsContact NE2-CE 3.26Å; H84-K88 WeakPolarHBondContact NE2-CE 3.28Å; H84-K88 PolarHBondContact NE2-NZ 3.04Å; H84-K88 PolarHBondContact O-N 2.91Å; H84-E122 IonicContact CE1-OE1 3.92Å; H84-E122 PolarHBondContact CE1-OE1 2.74Å; H84-E122 IonicContact CE1-OE2 3.49Å; H84-E122 PolarHBondContact CE1-OE2 3.15Å; H84-E122 IonicContact CG-OE2 2.66Å; H84-E122 IonicContact ND1-OE1 2.75Å; H84-E122 IonicContact ND1-OE2 3.03Å; H84-E122 PolarHBondContact ND1-OE2 2.95Å
85L86.2Confident83.4Confident97 Ų9771.6 Ų71.651%0.50834%0.344SS..Hα-helixtrans-65.3-43.2175.9-175.364.1000111.7R81 V82 A83 L87 K88 H89R81-L85 PolarHBondContact O-N 3.14Å; V82-L85 PolarHBondContact O-N 3.46Å; A83-L85 VanDerWaalsContact C-N 3.35Å; A83-L85 PolarHBondContact O-N 3.24Å; L85-L87 VanDerWaalsContact C-N 3.28Å; L85-L87 PolarHBondContact O-N 3.18Å; L85-K88 PolarHBondContact O-N 3.11Å; L85-K88 VanDerWaalsContact O-N 3.16Å; L85-H89 PolarHBondContact O-CD2 3.4Å; L85-H89 PolarHBondContact O-N 3.19Å
86A84.4Confident83.4Confident25 Ų2572 Ų7221%0.20734%0.341CS..Hα-helixtrans-59.9-40.1177.600000111.7M7 V82 A83 K88 H89M7-A86 HydrophobicContact CE-CB 4.32Å; M7-A86 HydrophobicContact SD-CB 4.13Å; V82-A86 WeakPolarHBondContact O-CB 3.49Å; V82-A86 PolarHBondContact O-N 3.14Å; A83-A86 PolarHBondContact O-N 3.3Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 3.45Å; A86-H89 PolarHBondContact O-N 3.11Å
87L83.6Confident83.6Confident7 Ų772.3 Ų72.34%0.03734%0.343CS..Hα-helixtrans-68.3-26.8178.5-69.1169.8000113.2M7 A83 H84 L85 R90 T97 I99 V124M7-L87 HydrophobicContact CB-CD2 4.31Å; M7-L87 HydrophobicContact CB-CG 4.42Å; A83-L87 VanDerWaalsContact O-CG 3.29Å; A83-L87 WeakPolarHBondContact O-CG 3.27Å; A83-L87 PolarHBondContact O-N 2.85Å; H84-L87 PolarHBondContact O-N 3.03Å; L85-L87 VanDerWaalsContact C-N 3.28Å; L85-L87 PolarHBondContact O-N 3.18Å; L87-R90 WeakPolarHBondContact O-CD 3.46Å; L87-R90 VanDerWaalsContact O-CG 3.27Å; L87-R90 WeakPolarHBondContact O-CG 3.44Å; L87-R90 PolarHBondContact O-NH1 2.72Å; L87-T97 HydrophobicContact CB-CG2 4.19Å; L87-T97 HydrophobicContact CD1-CG2 4.3Å; L87-T97 HydrophobicContact CD2-CG2 3.97Å; L87-T97 HydrophobicContact CG-CG2 4.38Å; L87-I99 HydrophobicContact CD1-CD1 3.85Å; L87-I99 HydrophobicContact CD1-CG1 3.55Å; L87-V124 HydrophobicContact CD1-CG1 4.05Å
88K82.9Confident83.7Confident109 Ų10971.6 Ų71.647%0.47434%0.339SS..Hα-helixtrans-74.6-34.3176.5-75.6-177.2-178.2173.20113.9H84 L85 A86 R90 E122H84-K88 WeakPolarHBondContact CE1-CE 3.46Å; H84-K88 VanDerWaalsContact NE2-CE 3.26Å; H84-K88 WeakPolarHBondContact NE2-CE 3.28Å; H84-K88 PolarHBondContact NE2-NZ 3.04Å; H84-K88 PolarHBondContact O-N 2.91Å; L85-K88 PolarHBondContact O-N 3.11Å; L85-K88 VanDerWaalsContact O-N 3.16Å; A86-K88 VanDerWaalsContact C-N 3.31Å; A86-K88 PolarHBondContact O-N 3.45Å; K88-R90 VanDerWaalsContact C-N 3.32Å; K88-E122 WeakPolarHBondContact CE-OE1 3.3Å; K88-E122 WeakPolarHBondContact CG-OE1 3.42Å
89H78.5Confident83.8Confident149 Ų14968.3 Ų68.369%0.6932%0.319SS*.THydrogen-bonded Turntrans-91.711.8-177.9-66.6-69.7000113.6L85 A86L85-H89 PolarHBondContact O-CD2 3.4Å; L85-H89 PolarHBondContact O-N 3.19Å; A86-H89 PolarHBondContact O-N 3.11Å
90R75.6Confident83.9Confident55 Ų5567.2 Ų67.221%0.20831%0.31CS..  trans-66.1149.9177.674.4-175.6-173.9-102.212.6112.3L87 K88 N92 R93 H95L87-R90 WeakPolarHBondContact O-CD 3.46Å; L87-R90 VanDerWaalsContact O-CG 3.27Å; L87-R90 WeakPolarHBondContact O-CG 3.44Å; L87-R90 PolarHBondContact O-NH1 2.72Å; K88-R90 VanDerWaalsContact C-N 3.32Å; R90-N92 WeakPolarHBondContact CD-O 3.48Å; R90-N92 WeakPolarHBondContact CG-O 3.28Å; R90-N92 PolarHBondContact NE-O 3.23Å; R90-R93 PolarHBondContact NH2-O 2.97Å; R90-R93 VanDerWaalsContact NH2-O 3.12Å; R90-H95 PolarHBondContact NH2-O 3.34Å
91Q70.2Confident84Confident155 Ų15567.2 Ų67.272%0.72431%0.311SS*.SBendtrans-67.5-41.1178.9-67.6179.9-15.600112
92N74.1Confident84Confident81 Ų8161.1 Ų61.143%0.43329%0.287SS..  trans-104106.2-175.2-60.8-24.7000111.9R90 N94 H95R90-N92 WeakPolarHBondContact CD-O 3.48Å; R90-N92 WeakPolarHBondContact CG-O 3.28Å; R90-N92 PolarHBondContact NE-O 3.23Å; N92-N94 VanDerWaalsContact C-N 3.29Å; N92-N94 PolarHBondContact O-N 3.14Å; N92-H95 WeakPolarHBondContact CB-CD2 3.37Å; N92-H95 WeakPolarHBondContact CB-NE2 3.16Å; N92-H95 PolarHBondContact ND2-NE2 2.84Å
93R79.4Confident84Confident209 Ų20958 Ų5879%0.78927%0.268SS*.THydrogen-bonded Turntrans-74.5-15.8-178.4-64.5-174.5179.5-170.90.7114.4R90 H95R90-R93 PolarHBondContact NH2-O 2.97Å; R90-R93 VanDerWaalsContact NH2-O 3.12Å; R93-H95 VanDerWaalsContact C-N 3.35Å; R93-H95 PolarHBondContact O-N 3.23Å
94N81.4Confident83.8Confident152 Ų15257.9 Ų57.981%0.81327%0.268SS*.THydrogen-bonded Turntrans-81.4-12.3-174.2-62.7-6.8000114N92N92-N94 VanDerWaalsContact C-N 3.29Å; N92-N94 PolarHBondContact O-N 3.14Å
95H83.1Confident83.7Confident9 Ų956.4 Ų56.44%0.04226%0.261CS..SBendtrans-74.8142.4-179-66.2-109.4000111.3L3 E4 S5 E46 R90 N92 R93 T97L3-H95 WeakPolarHBondContact CB-ND1 3.26Å; L3-H95 CarbonylContact O-C 3.51Å; L3-H95 VanDerWaalsContact O-CA 3.27Å; L3-H95 WeakPolarHBondContact O-CA 3.43Å; E4-H95 PolarHBondContact N-ND1 3.23Å; E4-H95 PolarHBondContact O-ND1 3.46Å; S5-H95 WeakPolarHBondContact OG-CB 3.43Å; E46-H95 PolarHBondContact O-CE1 2.95Å; E46-H95 VanDerWaalsContact O-CE1 3.29Å; R90-H95 PolarHBondContact NH2-O 3.34Å; N92-H95 WeakPolarHBondContact CB-CD2 3.37Å; N92-H95 WeakPolarHBondContact CB-NE2 3.16Å; N92-H95 PolarHBondContact ND2-NE2 2.84Å; R93-H95 VanDerWaalsContact C-N 3.35Å; R93-H95 PolarHBondContact O-N 3.23Å; H95-T97 PolarHBondContact O-N 3.3Å
96R85.5Confident83.6Confident111 Ų11154.5 Ų54.542%0.41926%0.255SS..EExtended strand (participates in β ladder)trans-64.3124165.4-173.2176.4-172.5173.65.5109.3L3 E4 S5 N125 D180L3-R96 PolarHBondContact O-N 3.41Å; E4-R96 CarbonylContact C-O 3.49Å; E4-R96 WeakPolarHBondContact CA-O 3.43Å; E4-R96 HydrophobicContact CB-CB 4.31Å; E4-R96 WeakPolarHBondContact CB-O 3.43Å; S5-R96 PolarHBondContact N-O 3Å; R96-N125 PolarHBondContact NE-ND2 3.16Å; R96-N125 PolarHBondContact NH2-ND2 3.39Å; R96-N125 PolarHBondContact NH2-OD1 3.28Å; R96-D180 IonicContact NH2-OD2 2.62Å
97T87.8Confident83.3Confident8 Ų853.6 Ų53.65%0.04925%0.246CC..EExtended strand (participates in β ladder)trans-84127.517945.50000111.6L87 H95 V124 N125L87-T97 HydrophobicContact CB-CG2 4.19Å; L87-T97 HydrophobicContact CD1-CG2 4.3Å; L87-T97 HydrophobicContact CD2-CG2 3.97Å; L87-T97 HydrophobicContact CG-CG2 4.38Å; H95-T97 PolarHBondContact O-N 3.3Å; T97-V124 WeakPolarHBondContact OG1-CG2 3.21Å; T97-N125 PolarHBondContact O-N 3.33Å
98R88.5Confident83Confident4 Ų463.4 Ų63.42%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-130.4138.7175.4-173.8174.8-77.6-81.56.4109.8E4 S5 T6 M7 N125 D127 G155 D180E4-R98 IonicContact OE2-NE 3.48Å; S5-R98 PolarHBondContact O-N 2.87Å; T6-R98 CarbonylContact C-O 3.41Å; T6-R98 VanDerWaalsContact CA-O 3.3Å; T6-R98 WeakPolarHBondContact CA-O 3.42Å; M7-R98 PolarHBondContact N-O 3.37Å; R98-N125 CarbonylContact C-O 3.51Å; R98-N125 WeakPolarHBondContact CA-O 3.48Å; R98-N125 HydrophobicContact CB-CB 4.35Å; R98-N125 HydrophobicContact CG-CB 4.16Å; R98-N125 PolarHBondContact NH2-ND2 3.39Å; R98-D127 VanDerWaalsContact CD-OD2 3.27Å; R98-D127 WeakPolarHBondContact CD-OD2 3.19Å; R98-D127 IonicContact CZ-OD2 2.93Å; R98-D127 IonicContact NE-OD2 3.96Å; R98-D127 IonicContact NH1-OD1 3.4Å; R98-D127 PolarHBondContact NH1-OD1 2.95Å; R98-D127 IonicContact NH1-OD2 2.96Å; R98-D127 PolarHBondContact NH1-OD2 3.18Å; R98-G155 PolarHBondContact NH1-O 2.88Å; R98-G155 VanDerWaalsContact NH1-O 3.12Å; R98-D180 IonicContact NH2-OD2 2.82Å; R98-D180 PolarHBondContact NH2-OD2 3.46Å
99I91Very high82.6Confident0 Ų062 Ų620%028%0.28CS..EExtended strand (participates in β ladder)trans-116.2125.1172.8-58.7172.7000107.2M7 A83 L87 V101 L119 V124 N125 V126 D127M7-I99 HydrophobicContact CB-CG1 4.48Å; M7-I99 CarbonylContact O-C 3.46Å; M7-I99 WeakPolarHBondContact O-CA 3.2Å; A83-I99 HydrophobicContact CB-CD1 3.84Å; A83-I99 HydrophobicContact CB-CG1 4.16Å; A83-I99 HydrophobicContact CB-CG2 4Å; L87-I99 HydrophobicContact CD1-CD1 3.85Å; L87-I99 HydrophobicContact CD1-CG1 3.55Å; I99-V101 HydrophobicContact CG2-CG2 3.69Å; I99-L119 HydrophobicContact CD1-CD2 4.13Å; I99-V124 HydrophobicContact CD1-CG1 3.62Å; I99-V124 HydrophobicContact CG1-CG1 3.69Å; I99-N125 PolarHBondContact N-O 3.33Å; I99-V126 HydrophobicContact CB-CG2 4.41Å; I99-V126 CarbonylContact O-C 3.35Å; I99-V126 WeakPolarHBondContact O-CA 3.39Å; I99-D127 PolarHBondContact O-N 2.88Å
100V90.3Very high82.3Confident0 Ų060.3 Ų60.30%028%0.277CS..EExtended strand (participates in β ladder)trans-106.4123.4170.7-177.70000107.8T6 M7 I8 C9 I36 F102 D127 I129 I176T6-V100 HydrophobicContact CG2-CG2 3.77Å; M7-V100 PolarHBondContact O-N 3.16Å; I8-V100 HydrophobicContact CG1-CB 4.48Å; C9-V100 PolarHBondContact N-O 3.43Å; I36-V100 HydrophobicContact CD1-CG1 4.12Å; V100-F102 HydrophobicContact CG1-CD2 4.21Å; V100-F102 HydrophobicContact CG1-CE2 3.75Å; V100-F102 HydrophobicContact CG1-CZ 4.5Å; V100-D127 WeakPolarHBondContact CA-O 3.32Å; V100-D127 HydrophobicContact CG2-CB 4.34Å; V100-I129 HydrophobicContact CG1-CD1 3.66Å; V100-I129 HydrophobicContact CG1-CG1 4.44Å; V100-I176 HydrophobicContact CG2-CG2 4.43Å
101V90.1Very high82.1Confident6 Ų658.4 Ų58.44%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-117.1119.3-179.8-171.20000109.5C9 I80 I99 I103 V126 D127 I129C9-V101 HydrophobicContact CB-CG1 4.3Å; C9-V101 HydrophobicContact CB-CG2 4.39Å; I80-V101 HydrophobicContact CG1-CG2 4.3Å; I99-V101 HydrophobicContact CG2-CG2 3.69Å; V101-I103 HydrophobicContact CG1-CD1 4.22Å; V101-I103 HydrophobicContact CG1-CG1 3.86Å; V101-V126 HydrophobicContact CG2-CG1 4.45Å; V101-D127 PolarHBondContact N-O 3.01Å; V101-I129 PolarHBondContact O-N 3.34Å
102F89.4Confident82.3Confident2 Ų255.6 Ų55.61%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-85.7131.7169.6-70.2-106000109.1I8 C9 E29 A32 V33 I36 V100 I129 F131I8-F102 HydrophobicContact CG2-CD2 4.03Å; I8-F102 HydrophobicContact CG2-CE2 3.73Å; C9-F102 WeakPolarHBondContact O-CD2 3.48Å; C9-F102 PolarHBondContact O-N 2.86Å; E29-F102 HydrophobicContact CG-CB 4.49Å; E29-F102 HydrophobicContact CG-CD1 3.7Å; E29-F102 HydrophobicContact CG-CE1 4.21Å; E29-F102 HydrophobicContact CG-CG 4.2Å; E29-F102 WeakPolarHBondContact OE1-CB 3.33Å; A32-F102 HydrophobicContact CB-CE1 3.85Å; A32-F102 HydrophobicContact CB-CZ 4.27Å; V33-F102 HydrophobicContact CG2-CD2 4.37Å; V33-F102 HydrophobicContact CG2-CE1 4.35Å; V33-F102 HydrophobicContact CG2-CE2 3.76Å; V33-F102 HydrophobicContact CG2-CZ 3.77Å; I36-F102 HydrophobicContact CD1-CE2 4.04Å; I36-F102 HydrophobicContact CD1-CZ 3.59Å; V100-F102 HydrophobicContact CG1-CD2 4.21Å; V100-F102 HydrophobicContact CG1-CE2 3.75Å; V100-F102 HydrophobicContact CG1-CZ 4.5Å; F102-I129 HydrophobicContact CD1-CD1 4.09Å; F102-I129 HydrophobicContact CD2-CD1 4.26Å; F102-I129 HydrophobicContact CE1-CD1 3.66Å; F102-I129 HydrophobicContact CE2-CD1 3.88Å; F102-I129 HydrophobicContact CG-CD1 4.35Å; F102-I129 HydrophobicContact CZ-CD1 3.55Å; F102-F131 HydrophobicContact CB-CE2 3.94Å; F102-F131 HydrophobicContact CD1-CD2 4.42Å; F102-F131 AromaticContact CD1-CE2 3.21Å; F102-F131 HydrophobicContact CD1-CE2 3.21Å; F102-F131 AromaticContact CD1-CZ 3.34Å; F102-F131 HydrophobicContact CD1-CZ 3.34Å; F102-F131 HydrophobicContact CE1-CE2 4Å; F102-F131 AromaticContact CE1-CZ 3.62Å; F102-F131 HydrophobicContact CE1-CZ 3.62Å; F102-F131 AromaticContact CG-CE2 3.95Å; F102-F131 HydrophobicContact CG-CE2 3.95Å; F102-F131 HydrophobicContact CG-CZ 4.41Å
103I87.6Confident82.4Confident3 Ų358.7 Ų58.72%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-133.4110.8179.1-55.6-177.1000108.4V101 I107 V128 I129 S130 F131 L141V101-I103 HydrophobicContact CG1-CD1 4.22Å; V101-I103 HydrophobicContact CG1-CG1 3.86Å; I103-I107 HydrophobicContact CD1-CD1 4.15Å; I103-I107 HydrophobicContact CG2-CD1 4.2Å; I103-I107 HydrophobicContact CG2-CG1 4.21Å; I103-V128 HydrophobicContact CD1-CG1 3.61Å; I103-V128 HydrophobicContact CG1-CG1 4.24Å; I103-I129 PolarHBondContact N-O 2.93Å; I103-S130 WeakPolarHBondContact O-CA 3.26Å; I103-F131 WeakPolarHBondContact O-CD2 3.29Å; I103-F131 PolarHBondContact O-N 2.85Å; I103-L141 HydrophobicContact CD1-CD1 3.95Å; I103-L141 HydrophobicContact CD1-CD2 3.72Å; I103-L141 HydrophobicContact CD1-CG 4.49Å
104G85.2Confident82.4Confident0 Ų052.1 Ų52.10%025%0.252CS..  trans-112.87.318000000114.1D11 F15 R25 V133D11-G104 PolarHBondContact OD2-N 3.04Å; F15-G104 WeakPolarHBondContact CB-O 3.45Å; R25-G104 PolarHBondContact NH1-O 3.3Å; G104-V133 WeakPolarHBondContact O-CG2 3.47Å
105S83.4Confident82.5Confident2 Ų245.2 Ų45.21%0.01422%0.215CC..SBendtrans-137.7154.1-17051.30000113.2D11 S13 C74 I107 N137D11-S105 PolarHBondContact OD2-N 2.98Å; D11-S105 PolarHBondContact OD2-OG 2.96Å; S13-S105 VanDerWaalsContact OG-CB 3.29Å; S13-S105 WeakPolarHBondContact OG-CB 3.44Å; S13-S105 PolarHBondContact OG-OG 3.47Å; C74-S105 WeakPolarHBondContact CB-OG 3.11Å; S105-I107 PolarHBondContact O-N 3.29Å; S105-N137 PolarHBondContact O-ND2 3.32Å
106P82.8Confident82.5Confident58 Ų5844.9 Ų44.938%0.37721%0.214SC..  trans-60.5127.3174.925.5-33.9000111.8F15 R108 V133 N137F15-P106 HydrophobicContact CE1-CG 3.85Å; F15-P106 HydrophobicContact CE2-CG 3.82Å; F15-P106 VanDerWaalsContact CZ-CD 3.45Å; F15-P106 HydrophobicContact CZ-CG 3.41Å; F15-P106 VanDerWaalsContact CZ-CG 3.41Å; P106-R108 PolarHBondContact O-N 3.43Å; P106-V133 HydrophobicContact CB-CG1 4.43Å; P106-N137 VanDerWaalsContact CA-ND2 3.32Å; P106-N137 WeakPolarHBondContact CA-ND2 3.33Å; P106-N137 WeakPolarHBondContact CA-OD1 3.5Å
107I79.5Confident82.5Confident5 Ų542.9 Ų42.93%0.02621%0.214CC..  trans-89.2107.5179.6-47.8169.9000108.9P76 I103 S105 N109 I111 N137 K140 L141P76-I107 HydrophobicContact CG-CD1 4.21Å; P76-I107 HydrophobicContact CG-CG1 4.44Å; P76-I107 HydrophobicContact CG-CG2 3.92Å; I103-I107 HydrophobicContact CD1-CD1 4.15Å; I103-I107 HydrophobicContact CG2-CD1 4.2Å; I103-I107 HydrophobicContact CG2-CG1 4.21Å; S105-I107 PolarHBondContact O-N 3.29Å; I107-N109 WeakPolarHBondContact CG2-O 3.37Å; I107-I111 HydrophobicContact CD1-CD1 4.34Å; I107-N137 PolarHBondContact N-OD1 3.03Å; I107-K140 PolarHBondContact O-NZ 2.92Å; I107-K140 VanDerWaalsContact O-NZ 3.08Å; I107-L141 HydrophobicContact CD1-CD1 4.33Å; I107-L141 HydrophobicContact CD1-CD2 3.82Å; I107-L141 HydrophobicContact CD1-CG 4.16Å
108R76.5Confident82.4Confident214 Ų21448 Ų4881%0.80824%0.235SC*.  trans-73.1-37.9176.4-169.3172.2-177.5-168.30.4112.6P106P106-R108 PolarHBondContact O-N 3.43Å
109N74.7Confident82.3Confident79 Ų7947.9 Ų47.942%0.42224%0.235SC..SBendtrans-81.5144-177.2-63.3-44.5000111.5I107I107-N109 WeakPolarHBondContact CG2-O 3.37Å
110D72.6Confident82Confident114 Ų11452.4 Ų52.461%0.6126%0.255SS*.  trans-74.8139.6170.2-172.438.8000111Q112D110-Q112 PolarHBondContact O-N 3.41Å; D110-Q112 VanDerWaalsContact O-N 3.15Å
111I71.1Confident81.7Confident14 Ų1461.3 Ų61.37%0.07229%0.293CS..  trans-82.297.8178.9-60.6170.9000106.8M77 I107 E113 L141 F144M77-I111 HydrophobicContact SD-CB 4.14Å; M77-I111 HydrophobicContact SD-CG1 4.38Å; M77-I111 HydrophobicContact SD-CG2 3.8Å; I107-I111 HydrophobicContact CD1-CD1 4.34Å; I111-E113 PolarHBondContact O-N 3.46Å; I111-E113 VanDerWaalsContact O-N 3.16Å; I111-L141 HydrophobicContact CD1-CD2 3.63Å; I111-F144 HydrophobicContact CD1-CB 4.49Å; I111-F144 HydrophobicContact CG2-CD2 3.41Å; I111-F144 VanDerWaalsContact CG2-CD2 3.41Å; I111-F144 HydrophobicContact CG2-CE2 3.71Å; I111-F144 HydrophobicContact CG2-CG 4.07Å
112Q73.7Confident81.5Confident97 Ų9763.8 Ų63.845%0.45330%0.304SS..  trans-53125.8-178.4-59.9177-16.200111.1M77 D110 V114 I115M77-Q112 HydrophobicContact CE-CB 3.6Å; M77-Q112 HydrophobicContact CE-CG 3.68Å; M77-Q112 VanDerWaalsContact CE-N 3.33Å; D110-Q112 PolarHBondContact O-N 3.41Å; D110-Q112 VanDerWaalsContact O-N 3.15Å; Q112-V114 HydrophobicContact CB-CG2 3.54Å; Q112-V114 HydrophobicContact CG-CG2 4.42Å; Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact OE1-CG2 3.25Å; Q112-I115 PolarHBondContact O-N 3.47Å
113E76.1Confident81.2Confident145 Ų14572 Ų7268%0.67834%0.34SS*.Hα-helixtrans-54.7-20.4174.8-60.2179.8177.300113I111 I115 S116 T117I111-E113 PolarHBondContact O-N 3.46Å; I111-E113 VanDerWaalsContact O-N 3.16Å; E113-I115 PolarHBondContact O-N 3.21Å; E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 2.84Å; E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 VanDerWaalsContact O-N 3.08Å; E113-T117 PolarHBondContact O-OG1 2.9Å
114V79.1Confident81.2Confident71 Ų7172.2 Ų72.243%0.4334%0.342SS..Hα-helixtrans-61.9-24.1173.4-63.20000113.2Q112 T117 K118Q112-V114 HydrophobicContact CB-CG2 3.54Å; Q112-V114 HydrophobicContact CG-CG2 4.42Å; Q112-V114 PolarHBondContact O-N 2.87Å; Q112-V114 VanDerWaalsContact OE1-CG2 3.25Å; V114-T117 WeakPolarHBondContact CA-OG1 2.98Å; V114-T117 PolarHBondContact O-OG1 2.88Å; V114-T117 VanDerWaalsContact O-OG1 3.05Å; V114-K118 WeakPolarHBondContact O-CD 3.38Å; V114-K118 VanDerWaalsContact O-CG 3.23Å; V114-K118 WeakPolarHBondContact O-CG 3.15Å; V114-K118 PolarHBondContact O-N 2.92Å
115I85Confident81.4Confident8 Ų873 Ų734%0.04135%0.346CS..Hα-helixtrans-79.3-42.5176-62.5-163.5000110.2M77 I80 R81 Q112 E113 T117 K118 L119M77-I115 HydrophobicContact CB-CD1 4.44Å; M77-I115 HydrophobicContact CE-CD1 3.19Å; M77-I115 HydrophobicContact CE-CG1 3.76Å; M77-I115 HydrophobicContact SD-CD1 3.59Å; M77-I115 VanDerWaalsContact SD-CD1 3.59Å; M77-I115 HydrophobicContact SD-CG1 4.46Å; I80-I115 HydrophobicContact CB-CG2 4.48Å; I80-I115 HydrophobicContact CG2-CG2 3.63Å; R81-I115 HydrophobicContact CG-CD1 4.22Å; Q112-I115 PolarHBondContact O-N 3.47Å; E113-I115 PolarHBondContact O-N 3.21Å; I115-T117 VanDerWaalsContact C-N 3.3Å; I115-T117 PolarHBondContact O-N 3.09Å; I115-K118 PolarHBondContact O-N 3.29Å; I115-K118 VanDerWaalsContact O-N 3.12Å; I115-L119 HydrophobicContact CG2-CD1 3.93Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.49Å; I115-L119 PolarHBondContact O-N 3.2Å
116S83Confident81.6Confident2 Ų272.9 Ų72.91%0.01435%0.345CS..Hα-helixtrans-63.3-39.2178.662.30000111.4E113 K118 L119 K120 T147 L148E113-S116 PolarHBondContact O-N 3.44Å; E113-S116 PolarHBondContact O-OG 2.84Å; S116-K118 PolarHBondContact O-N 3.19Å; S116-L119 PolarHBondContact O-N 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.44Å; S116-K120 PolarHBondContact O-N 2.99Å; S116-K120 VanDerWaalsContact O-N 3.09Å; S116-T147 WeakPolarHBondContact CB-OG1 3.46Å; S116-T147 PolarHBondContact OG-OG1 3Å; S116-T147 VanDerWaalsContact OG-OG1 3.05Å; S116-L148 WeakPolarHBondContact O-CD2 3.12Å
117T84.9Confident82Confident68 Ų6870.2 Ų70.242%0.41733%0.327SS..Hα-helixtrans-65.5-33.4173.654.50000113.8E113 V114 I115 K121E113-T117 PolarHBondContact O-N 3.25Å; E113-T117 VanDerWaalsContact O-N 3.08Å; E113-T117 PolarHBondContact O-OG1 2.9Å; V114-T117 WeakPolarHBondContact CA-OG1 2.98Å; V114-T117 PolarHBondContact O-OG1 2.88Å; V114-T117 VanDerWaalsContact O-OG1 3.05Å; I115-T117 VanDerWaalsContact C-N 3.3Å; I115-T117 PolarHBondContact O-N 3.09Å; T117-K121 PolarHBondContact O-N 3.23Å
118K86.8Confident82.4Confident116 Ų11670.1 Ų70.150%0.50433%0.327SS..Hα-helixtrans-68.5-41.5174.2-76.6172.5-174.5-178.90112V114 I115 S116 K121 E122V114-K118 WeakPolarHBondContact O-CD 3.38Å; V114-K118 VanDerWaalsContact O-CG 3.23Å; V114-K118 WeakPolarHBondContact O-CG 3.15Å; V114-K118 PolarHBondContact O-N 2.92Å; I115-K118 PolarHBondContact O-N 3.29Å; I115-K118 VanDerWaalsContact O-N 3.12Å; S116-K118 PolarHBondContact O-N 3.19Å; K118-K121 PolarHBondContact O-N 2.9Å; K118-E122 PolarHBondContact O-N 3.28Å
119L86Confident83Confident1 Ų160 Ų601%0.00529%0.289CS..Hα-helixtrans-65.9-37.5179.1-68.3167000112.1I80 I99 I115 S116 K121 E122 K123 V124 V126 F144 L148I80-L119 HydrophobicContact CG2-CD1 4.03Å; I80-L119 HydrophobicContact CG2-CD2 4.29Å; I99-L119 HydrophobicContact CD1-CD2 4.13Å; I115-L119 HydrophobicContact CG2-CD1 3.93Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CG 3.49Å; I115-L119 PolarHBondContact O-N 3.2Å; S116-L119 PolarHBondContact O-N 3.26Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-E122 PolarHBondContact O-N 2.99Å; L119-K123 PolarHBondContact O-N 2.66Å; L119-K123 VanDerWaalsContact O-N 3.09Å; L119-V124 HydrophobicContact CD2-CB 4.01Å; L119-V124 HydrophobicContact CD2-CG1 4.16Å; L119-V124 HydrophobicContact CD2-CG2 4.42Å; L119-V124 PolarHBondContact O-N 3.49Å; L119-V126 HydrophobicContact CD1-CG2 3.84Å; L119-V126 HydrophobicContact CD2-CG2 4.4Å; L119-F144 HydrophobicContact CD1-CE2 4.43Å; L119-F144 HydrophobicContact CD1-CZ 3.77Å; L119-L148 HydrophobicContact CB-CD2 3.7Å; L119-L148 HydrophobicContact CD1-CD1 4.44Å; L119-L148 HydrophobicContact CD1-CD2 3.97Å
120K83.3Confident83.5Confident96 Ų9656.3 Ų56.342%0.41727%0.27SS..Hα-helixtrans-58.1-44.5172-74.1178.8-178.3-1760113.2S116 E122 K123 T147S116-K120 WeakPolarHBondContact O-CG 3.44Å; S116-K120 PolarHBondContact O-N 2.99Å; S116-K120 VanDerWaalsContact O-N 3.09Å; K120-E122 PolarHBondContact O-N 3.28Å; K120-K123 PolarHBondContact O-N 2.78Å; K120-K123 VanDerWaalsContact O-N 3.17Å; K120-T147 WeakPolarHBondContact CE-O 3.36Å; K120-T147 PolarHBondContact NZ-O 3.47Å
121K84.8Confident84Confident187 Ų18751.1 Ų51.181%0.81324%0.242SC*.Hα-helixtrans-61.8-35.6-178.6-72.8178.8-179.7-1760112.2T117 K118 L119T117-K121 PolarHBondContact O-N 3.23Å; K118-K121 PolarHBondContact O-N 2.9Å; L119-K121 PolarHBondContact O-N 2.87Å
122E86.1Confident84.1Confident57 Ų5751.5 Ų51.527%0.26625%0.249SC..Hα-helixtrans-89.3-6.4-179.8-166.6173.3-117.200113.1H84 K88 K118 L119 K120 V124H84-E122 IonicContact CE1-OE1 3.92Å; H84-E122 PolarHBondContact CE1-OE1 2.74Å; H84-E122 IonicContact CE1-OE2 3.49Å; H84-E122 PolarHBondContact CE1-OE2 3.15Å; H84-E122 IonicContact CG-OE2 2.66Å; H84-E122 IonicContact ND1-OE1 2.75Å; H84-E122 IonicContact ND1-OE2 3.03Å; H84-E122 PolarHBondContact ND1-OE2 2.95Å; K88-E122 WeakPolarHBondContact CE-OE1 3.3Å; K88-E122 WeakPolarHBondContact CG-OE1 3.42Å; K118-E122 PolarHBondContact O-N 3.28Å; L119-E122 PolarHBondContact O-N 2.99Å; K120-E122 PolarHBondContact O-N 3.28Å; E122-V124 HydrophobicContact CB-CG2 3.9Å; E122-V124 HydrophobicContact CG-CG2 3.87Å; E122-V124 VanDerWaalsContact OE2-CG2 3.25Å; E122-V124 WeakPolarHBondContact OE2-CG2 3.38Å
123K83.3Confident83.7Confident175 Ų17548.8 Ų48.876%0.76124%0.239SC*.THydrogen-bonded Turntrans57.645.5-174.7-56.1-178.8177.2-175.20112.4L119 K120L119-K123 PolarHBondContact O-N 2.66Å; L119-K123 VanDerWaalsContact O-N 3.09Å; K120-K123 PolarHBondContact O-N 2.78Å; K120-K123 VanDerWaalsContact O-N 3.17Å
124V87.5Confident82.8Confident8 Ų844.4 Ų44.45%0.04823%0.233CC..  trans-89125.3175.6-178.10000109.7L87 T97 I99 L119 E122 V126L87-V124 HydrophobicContact CD1-CG1 4.05Å; T97-V124 WeakPolarHBondContact OG1-CG2 3.21Å; I99-V124 HydrophobicContact CD1-CG1 3.62Å; I99-V124 HydrophobicContact CG1-CG1 3.69Å; L119-V124 HydrophobicContact CD2-CB 4.01Å; L119-V124 HydrophobicContact CD2-CG1 4.16Å; L119-V124 HydrophobicContact CD2-CG2 4.42Å; L119-V124 PolarHBondContact O-N 3.49Å; E122-V124 HydrophobicContact CB-CG2 3.9Å; E122-V124 HydrophobicContact CG-CG2 3.87Å; E122-V124 VanDerWaalsContact OE2-CG2 3.25Å; E122-V124 WeakPolarHBondContact OE2-CG2 3.38Å; V124-V126 HydrophobicContact CG1-CG2 4.41Å
125N88.4Confident82Confident16 Ų1645.8 Ų45.89%0.08624%0.238CC..EExtended strand (participates in β ladder)trans-77.5136.4170.7-76.928.3000109.9R96 T97 R98 I99 G155R96-N125 PolarHBondContact NE-ND2 3.16Å; R96-N125 PolarHBondContact NH2-ND2 3.39Å; R96-N125 PolarHBondContact NH2-OD1 3.28Å; T97-N125 PolarHBondContact O-N 3.33Å; R98-N125 CarbonylContact C-O 3.51Å; R98-N125 WeakPolarHBondContact CA-O 3.48Å; R98-N125 HydrophobicContact CB-CB 4.35Å; R98-N125 HydrophobicContact CG-CB 4.16Å; R98-N125 PolarHBondContact NH2-ND2 3.39Å; I99-N125 PolarHBondContact N-O 3.33Å; N125-G155 WeakPolarHBondContact CB-O 3.32Å; N125-G155 VanDerWaalsContact ND2-CA 3.31Å; N125-G155 WeakPolarHBondContact ND2-CA 3.12Å; N125-G155 PolarHBondContact ND2-O 2.9Å; N125-G155 VanDerWaalsContact ND2-O 3.07Å
126V89.1Confident81.3Confident0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-125.1119.9177.4-174.90000110.6I99 V101 L119 V124 V128 F144 L148 S156 H157I99-V126 HydrophobicContact CB-CG2 4.41Å; I99-V126 CarbonylContact O-C 3.35Å; I99-V126 WeakPolarHBondContact O-CA 3.39Å; V101-V126 HydrophobicContact CG2-CG1 4.45Å; L119-V126 HydrophobicContact CD1-CG2 3.84Å; L119-V126 HydrophobicContact CD2-CG2 4.4Å; V124-V126 HydrophobicContact CG1-CG2 4.41Å; V126-V128 HydrophobicContact CG1-CG2 4.11Å; V126-F144 HydrophobicContact CG1-CE1 4.25Å; V126-L148 HydrophobicContact CB-CD1 3.86Å; V126-L148 HydrophobicContact CG2-CD1 4Å; V126-S156 PolarHBondContact N-OG 3.43Å; V126-S156 WeakPolarHBondContact O-CA 3.34Å; V126-S156 WeakPolarHBondContact O-CB 3.48Å; V126-S156 PolarHBondContact O-OG 3.2Å; V126-H157 PolarHBondContact O-N 3.45Å
127D89.5Confident80.8Confident1 Ų151.2 Ų51.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-101.7129.8170.3-56.5-44.3000109.3R98 I99 V100 V101 H157 I176R98-D127 VanDerWaalsContact CD-OD2 3.27Å; R98-D127 WeakPolarHBondContact CD-OD2 3.19Å; R98-D127 IonicContact CZ-OD2 2.93Å; R98-D127 IonicContact NE-OD2 3.96Å; R98-D127 IonicContact NH1-OD1 3.4Å; R98-D127 PolarHBondContact NH1-OD1 2.95Å; R98-D127 IonicContact NH1-OD2 2.96Å; R98-D127 PolarHBondContact NH1-OD2 3.18Å; I99-D127 PolarHBondContact O-N 2.88Å; V100-D127 WeakPolarHBondContact CA-O 3.32Å; V100-D127 HydrophobicContact CG2-CB 4.34Å; V101-D127 PolarHBondContact N-O 3.01Å; D127-H157 CarbonylContact C-O 3.6Å; D127-H157 WeakPolarHBondContact CA-O 3.37Å; D127-H157 WeakPolarHBondContact OD1-CB 3.36Å; D127-H157 PolarHBondContact OD1-N 2.86Å; D127-H157 VanDerWaalsContact OD1-N 3.15Å; D127-I176 HydrophobicContact CB-CD1 4.22Å; D127-I176 HydrophobicContact CB-CG1 4.14Å
128V88.7Confident80.4Confident4 Ų448 Ų482%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-114.9123.5177.5-178.20000108.3I103 V126 L141 V145 H157 L158 V159I103-V128 HydrophobicContact CD1-CG1 3.61Å; I103-V128 HydrophobicContact CG1-CG1 4.24Å; V126-V128 HydrophobicContact CG1-CG2 4.11Å; V128-L141 HydrophobicContact CG1-CD1 3.88Å; V128-L141 HydrophobicContact CG1-CD2 4.07Å; V128-L141 HydrophobicContact CG1-CG 4.4Å; V128-V145 HydrophobicContact CG2-CG2 4.46Å; V128-H157 PolarHBondContact N-O 3.43Å; V128-L158 HydrophobicContact CB-CD1 3.96Å; V128-L158 HydrophobicContact CG1-CD1 4.01Å; V128-L158 WeakPolarHBondContact O-CA 3.11Å; V128-V159 PolarHBondContact O-N 3.39Å
129I88.6Confident80.3Confident0 Ų048.8 Ų48.80%026%0.257CS..EExtended strand (participates in β ladder)trans-110.2114.6174.8-45.6153.9000107.8I36 V100 V101 F102 I103 F131 V159 V161 L171 I176I36-I129 HydrophobicContact CD1-CD1 4.21Å; V100-I129 HydrophobicContact CG1-CD1 3.66Å; V100-I129 HydrophobicContact CG1-CG1 4.44Å; V101-I129 PolarHBondContact O-N 3.34Å; F102-I129 HydrophobicContact CD1-CD1 4.09Å; F102-I129 HydrophobicContact CD2-CD1 4.26Å; F102-I129 HydrophobicContact CE1-CD1 3.66Å; F102-I129 HydrophobicContact CE2-CD1 3.88Å; F102-I129 HydrophobicContact CG-CD1 4.35Å; F102-I129 HydrophobicContact CZ-CD1 3.55Å; I103-I129 PolarHBondContact N-O 2.93Å; I129-F131 HydrophobicContact CB-CE1 4.36Å; I129-F131 HydrophobicContact CB-CE2 3.7Å; I129-F131 HydrophobicContact CB-CZ 3.6Å; I129-F131 HydrophobicContact CD1-CZ 4.4Å; I129-F131 HydrophobicContact CG2-CD1 4.13Å; I129-F131 HydrophobicContact CG2-CD2 4.37Å; I129-F131 HydrophobicContact CG2-CE1 3.32Å; I129-F131 HydrophobicContact CG2-CE2 3.54Å; I129-F131 HydrophobicContact CG2-CZ 3.01Å; I129-F131 WeakPolarHBondContact O-CE2 3.44Å; I129-V159 WeakPolarHBondContact CA-O 3.47Å; I129-V159 HydrophobicContact CG2-CB 4.15Å; I129-V159 HydrophobicContact CG2-CG1 4.28Å; I129-V161 HydrophobicContact CG2-CG2 4.04Å; I129-L171 HydrophobicContact CD1-CD2 3.57Å; I129-L171 HydrophobicContact CG1-CD2 4Å; I129-L171 HydrophobicContact CG2-CD2 4.26Å; I129-I176 HydrophobicContact CD1-CD1 3.83Å; I129-I176 HydrophobicContact CG1-CD1 3.69Å
130S86Confident80.2Confident3 Ų352.6 Ų52.62%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-100.7126.9179.4-174.30000110.1I103 V159 V161I103-S130 WeakPolarHBondContact O-CA 3.26Å; S130-V159 PolarHBondContact N-O 3.26Å; S130-V161 PolarHBondContact O-N 3.02Å
131F83.2Confident80.3Confident5 Ų548.1 Ų48.12%0.02225%0.254CS..EExtended strand (participates in β ladder)trans-122.5142.6-176.6-52.7-77.5000112.4Y21 F102 I103 I129 V133 V161 L167Y21-F131 HydrophobicContact CE2-CB 3.96Å; F102-F131 HydrophobicContact CB-CE2 3.94Å; F102-F131 HydrophobicContact CD1-CD2 4.42Å; F102-F131 AromaticContact CD1-CE2 3.21Å; F102-F131 HydrophobicContact CD1-CE2 3.21Å; F102-F131 AromaticContact CD1-CZ 3.34Å; F102-F131 HydrophobicContact CD1-CZ 3.34Å; F102-F131 HydrophobicContact CE1-CE2 4Å; F102-F131 AromaticContact CE1-CZ 3.62Å; F102-F131 HydrophobicContact CE1-CZ 3.62Å; F102-F131 AromaticContact CG-CE2 3.95Å; F102-F131 HydrophobicContact CG-CE2 3.95Å; F102-F131 HydrophobicContact CG-CZ 4.41Å; I103-F131 WeakPolarHBondContact O-CD2 3.29Å; I103-F131 PolarHBondContact O-N 2.85Å; I129-F131 HydrophobicContact CB-CE1 4.36Å; I129-F131 HydrophobicContact CB-CE2 3.7Å; I129-F131 HydrophobicContact CB-CZ 3.6Å; I129-F131 HydrophobicContact CD1-CZ 4.4Å; I129-F131 HydrophobicContact CG2-CD1 4.13Å; I129-F131 HydrophobicContact CG2-CD2 4.37Å; I129-F131 HydrophobicContact CG2-CE1 3.32Å; I129-F131 HydrophobicContact CG2-CE2 3.54Å; I129-F131 HydrophobicContact CG2-CZ 3.01Å; I129-F131 WeakPolarHBondContact O-CE2 3.44Å; F131-V133 PolarHBondContact O-N 2.85Å; F131-V161 HydrophobicContact CD1-CB 3.99Å; F131-V161 HydrophobicContact CD1-CG2 3.88Å; F131-V161 HydrophobicContact CE1-CB 4.42Å; F131-V161 HydrophobicContact CE1-CG2 3.83Å; F131-L167 HydrophobicContact CD1-CD1 3.8Å; F131-L167 HydrophobicContact CD1-CD2 3.22Å; F131-L167 HydrophobicContact CD1-CG 4.09Å; F131-L167 HydrophobicContact CE1-CB 4.21Å; F131-L167 HydrophobicContact CE1-CD1 3.63Å; F131-L167 HydrophobicContact CE1-CD2 3.42Å; F131-L167 VanDerWaalsContact CE1-CD2 3.42Å; F131-L167 HydrophobicContact CE1-CG 3.94Å; F131-L167 HydrophobicContact CG-CD2 4.36Å; F131-L167 HydrophobicContact CZ-CD1 4.27Å
132G72.7Confident80.3Confident22 Ų2243.2 Ų43.223%0.22723%0.233CC..SBendtrans62.4-4.9152.900000118.5D20 Y21 R25D20-G132 WeakPolarHBondContact OD2-CA 3.34Å; Y21-G132 PolarHBondContact OH-N 2.93Å; R25-G132 PolarHBondContact NH2-O 3.27Å
133V64.8Low80.3Confident39 Ų3943 Ų4324%0.23624%0.241CC..SBendtrans-124.3122.4174.7-1760000105.8G104 P106 F131G104-V133 WeakPolarHBondContact O-CG2 3.47Å; P106-V133 HydrophobicContact CB-CG1 4.43Å; F131-V133 PolarHBondContact O-N 2.85Å
134G58.5Low80.3Confident54 Ų5435.1 Ų35.156%0.55721%0.206SC*.  trans-54.3179.4-169.100000115.6V136 N137G134-V136 PolarHBondContact O-N 3.3Å; G134-N137 PolarHBondContact O-N 3.29Å
135D62.7Low80.2Confident99 Ų9935.1 Ų35.153%0.52921%0.206SC..G310 helixtrans-49.6-16.8-168.1-154.720.1000116.2N137 S138 K142D135-N137 VanDerWaalsContact C-N 3.28Å; D135-N137 PolarHBondContact O-N 3.39Å; D135-S138 VanDerWaalsContact O-CB 3.31Å; D135-S138 WeakPolarHBondContact O-CB 3.44Å; D135-S138 PolarHBondContact O-N 3.3Å; D135-S138 PolarHBondContact O-OG 3.47Å; D135-S138 WeakPolarHBondContact OD1-CB 3.26Å; D135-S138 PolarHBondContact OD1-OG 3.44Å; D135-K142 IonicContact OD1-NZ 3.96Å; D135-K142 PolarHBondContact OD1-NZ 2.85Å
136V68.7Low80Confident116 Ų11639.6 Ų39.670%0.70323%0.23SC*.G310 helixtrans-54.9-38.3-179.5-167.80000113.2G134G134-V136 PolarHBondContact O-N 3.3Å
137N73.3Confident79.8Confident8 Ų841.7 Ų41.74%0.04324%0.243CC..G310 helixtrans-78.6-28.1175.6-81.7-12000112.6S105 P106 I107 G134 D135 E139 K140 L141S105-N137 PolarHBondContact O-ND2 3.32Å; P106-N137 VanDerWaalsContact CA-ND2 3.32Å; P106-N137 WeakPolarHBondContact CA-ND2 3.33Å; P106-N137 WeakPolarHBondContact CA-OD1 3.5Å; I107-N137 PolarHBondContact N-OD1 3.03Å; G134-N137 PolarHBondContact O-N 3.29Å; D135-N137 VanDerWaalsContact C-N 3.28Å; D135-N137 PolarHBondContact O-N 3.39Å; N137-E139 PolarHBondContact O-N 3.46Å; N137-K140 PolarHBondContact O-N 2.9Å; N137-L141 WeakPolarHBondContact O-CG 3.36Å; N137-L141 PolarHBondContact O-N 3.29Å
138S77.4Confident79.4Confident1 Ų142.5 Ų42.51%0.00725%0.248CC..Hα-helixtrans-65-32.5-170.497.70000110.4D135 K140 L141 K142D135-S138 VanDerWaalsContact O-CB 3.31Å; D135-S138 WeakPolarHBondContact O-CB 3.44Å; D135-S138 PolarHBondContact O-N 3.3Å; D135-S138 PolarHBondContact O-OG 3.47Å; D135-S138 WeakPolarHBondContact OD1-CB 3.26Å; D135-S138 PolarHBondContact OD1-OG 3.44Å; S138-K140 PolarHBondContact O-N 3.01Å; S138-L141 CarbonylContact O-C 3.6Å; S138-L141 PolarHBondContact O-N 2.88Å; S138-K142 VanDerWaalsContact O-CB 3.22Å; S138-K142 WeakPolarHBondContact O-CB 3.37Å; S138-K142 WeakPolarHBondContact O-CD 3.44Å; S138-K142 WeakPolarHBondContact O-CG 3.36Å; S138-K142 PolarHBondContact O-N 3.29Å; S138-K142 VanDerWaalsContact OG-CE 3.3Å; S138-K142 WeakPolarHBondContact OG-CE 3.49Å; S138-K142 PolarHBondContact OG-NZ 3.31Å
139E83.5Confident79Confident133 Ų13344.5 Ų44.562%0.62126%0.258SS*.Hα-helixtrans-60.1-47.3178-64.5-178.4177.700112.7N137 L141 K142 A143N137-E139 PolarHBondContact O-N 3.46Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.3Å; E139-K142 PolarHBondContact O-N 3.45Å; E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.17Å
140K84.6Confident78.2Confident80 Ų8047.1 Ų47.135%0.34829%0.285SS..Hα-helixtrans-65.6-38.2177.6-61.5-178.6-174.3177.30111.6I107 N137 S138 F144I107-K140 PolarHBondContact O-NZ 2.92Å; I107-K140 VanDerWaalsContact O-NZ 3.08Å; N137-K140 PolarHBondContact O-N 2.9Å; S138-K140 PolarHBondContact O-N 3.01Å; K140-F144 WeakPolarHBondContact O-CB 3.44Å; K140-F144 PolarHBondContact O-N 2.88Å
141L84.6Confident77Confident2 Ų256.7 Ų56.71%0.0133%0.326CS..Hα-helixtrans-73.2-36.8178.9-65.4174.1000112I103 I107 I111 V128 N137 S138 E139 F144 V145 L158I103-L141 HydrophobicContact CD1-CD1 3.95Å; I103-L141 HydrophobicContact CD1-CD2 3.72Å; I103-L141 HydrophobicContact CD1-CG 4.49Å; I107-L141 HydrophobicContact CD1-CD1 4.33Å; I107-L141 HydrophobicContact CD1-CD2 3.82Å; I107-L141 HydrophobicContact CD1-CG 4.16Å; I111-L141 HydrophobicContact CD1-CD2 3.63Å; V128-L141 HydrophobicContact CG1-CD1 3.88Å; V128-L141 HydrophobicContact CG1-CD2 4.07Å; V128-L141 HydrophobicContact CG1-CG 4.4Å; N137-L141 WeakPolarHBondContact O-CG 3.36Å; N137-L141 PolarHBondContact O-N 3.29Å; S138-L141 CarbonylContact O-C 3.6Å; S138-L141 PolarHBondContact O-N 2.88Å; E139-L141 VanDerWaalsContact C-N 3.33Å; E139-L141 PolarHBondContact O-N 3.3Å; L141-F144 WeakPolarHBondContact O-CB 3.29Å; L141-F144 PolarHBondContact O-N 3.4Å; L141-V145 WeakPolarHBondContact O-CB 3.33Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 2.88Å; L141-V145 PolarHBondContact O-N 3.24Å; L141-L158 HydrophobicContact CB-CD1 4.09Å
142K85.1Confident75.7Confident85 Ų8564 Ų6437%0.3737%0.366SS..Hα-helixtrans-60.6-51.2171.3-76.7166.1-177.8162.60109.5D135 S138 E139 F144 V145 D146 L158D135-K142 IonicContact OD1-NZ 3.96Å; D135-K142 PolarHBondContact OD1-NZ 2.85Å; S138-K142 VanDerWaalsContact O-CB 3.22Å; S138-K142 WeakPolarHBondContact O-CB 3.37Å; S138-K142 WeakPolarHBondContact O-CD 3.44Å; S138-K142 WeakPolarHBondContact O-CG 3.36Å; S138-K142 PolarHBondContact O-N 3.29Å; S138-K142 VanDerWaalsContact OG-CE 3.3Å; S138-K142 WeakPolarHBondContact OG-CE 3.49Å; S138-K142 PolarHBondContact OG-NZ 3.31Å; E139-K142 PolarHBondContact O-N 3.45Å; K142-F144 VanDerWaalsContact C-N 3.29Å; K142-F144 PolarHBondContact O-N 3.1Å; K142-V145 PolarHBondContact O-N 3.26Å; K142-V145 VanDerWaalsContact O-N 3.12Å; K142-D146 WeakPolarHBondContact O-CB 3.43Å; K142-D146 PolarHBondContact O-N 3.34Å; K142-L158 HydrophobicContact CB-CD2 4.39Å; K142-L158 HydrophobicContact CD-CD2 4.45Å; K142-L158 HydrophobicContact CG-CD2 3.39Å
143A85.6Confident75Confident53 Ų5365.5 Ų65.544%0.43838%0.381SS..Hα-helixtrans-56.4-43.5175.300000112E139 D146 T147E139-A143 WeakPolarHBondContact O-CB 3.32Å; E139-A143 PolarHBondContact O-N 3.17Å; A143-D146 PolarHBondContact O-N 3.27Å; A143-T147 VanDerWaalsContact O-CG2 3.25Å; A143-T147 WeakPolarHBondContact O-CG2 3.49Å; A143-T147 PolarHBondContact O-N 3.26Å
144F84.6Confident74.9Confident9 Ų968.7 Ų68.74%0.03940%0.4CS..Hα-helixtrans-60.8-47.5175.5177.6-106.6000112.4I80 I111 L119 V126 K140 L141 K142 T147 L148I80-F144 HydrophobicContact CD1-CZ 4.19Å; I111-F144 HydrophobicContact CD1-CB 4.49Å; I111-F144 HydrophobicContact CG2-CD2 3.41Å; I111-F144 VanDerWaalsContact CG2-CD2 3.41Å; I111-F144 HydrophobicContact CG2-CE2 3.71Å; I111-F144 HydrophobicContact CG2-CG 4.07Å; L119-F144 HydrophobicContact CD1-CE2 4.43Å; L119-F144 HydrophobicContact CD1-CZ 3.77Å; V126-F144 HydrophobicContact CG1-CE1 4.25Å; K140-F144 WeakPolarHBondContact O-CB 3.44Å; K140-F144 PolarHBondContact O-N 2.88Å; L141-F144 WeakPolarHBondContact O-CB 3.29Å; L141-F144 PolarHBondContact O-N 3.4Å; K142-F144 VanDerWaalsContact C-N 3.29Å; K142-F144 PolarHBondContact O-N 3.1Å; F144-T147 PolarHBondContact O-N 2.97Å; F144-T147 PolarHBondContact O-OG1 3.45Å; F144-L148 HydrophobicContact CD1-CD1 3.88Å; F144-L148 HydrophobicContact CE1-CD1 3.35Å; F144-L148 HydrophobicContact CE1-CG 4.3Å; F144-L148 HydrophobicContact CE2-CD1 4.33Å; F144-L148 HydrophobicContact CZ-CD1 3.62Å; F144-L148 HydrophobicContact CZ-CG 4.26Å; F144-L148 WeakPolarHBondContact O-CG 3.26Å; F144-L148 PolarHBondContact O-N 3.43Å
145V85.2Confident75.5Confident8 Ų866.3 Ų66.35%0.04838%0.376CS..Hα-helixtrans-67.1-38.6179.31700000111.8V128 L141 K142 L148 N149 L158V128-V145 HydrophobicContact CG2-CG2 4.46Å; L141-V145 WeakPolarHBondContact O-CB 3.33Å; L141-V145 VanDerWaalsContact O-CG2 3.29Å; L141-V145 WeakPolarHBondContact O-CG2 2.88Å; L141-V145 PolarHBondContact O-N 3.24Å; K142-V145 PolarHBondContact O-N 3.26Å; K142-V145 VanDerWaalsContact O-N 3.12Å; V145-L148 WeakPolarHBondContact O-CB 3.16Å; V145-L148 PolarHBondContact O-N 2.9Å; V145-L148 VanDerWaalsContact O-N 3.14Å; V145-N149 VanDerWaalsContact CG1-ND2 3.33Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.37Å; V145-N149 WeakPolarHBondContact O-CB 3.26Å; V145-N149 PolarHBondContact O-N 3.44Å; V145-N149 PolarHBondContact O-ND2 2.98Å; V145-L158 HydrophobicContact CG2-CB 4.31Å
146D84.6Confident76.3Confident109 Ų10962.2 Ų62.258%0.58336%0.355SS*.Hα-helixtrans-64.2-42.8175.1-70-24.9000111K142 A143 L148 N149 G150K142-D146 WeakPolarHBondContact O-CB 3.43Å; K142-D146 PolarHBondContact O-N 3.34Å; A143-D146 PolarHBondContact O-N 3.27Å; D146-L148 VanDerWaalsContact C-N 3.31Å; D146-L148 PolarHBondContact O-N 3.22Å; D146-N149 PolarHBondContact O-N 3.48Å; D146-G150 PolarHBondContact O-N 2.99Å; D146-G150 VanDerWaalsContact O-N 3.17Å
147T83.1Confident77.2Confident45 Ų4559.6 Ų59.628%0.27634%0.335SS..Hα-helixtrans-59.6-46.6172.169.40000109.6S116 K120 A143 F144S116-T147 WeakPolarHBondContact CB-OG1 3.46Å; S116-T147 PolarHBondContact OG-OG1 3Å; S116-T147 VanDerWaalsContact OG-OG1 3.05Å; K120-T147 WeakPolarHBondContact CE-O 3.36Å; K120-T147 PolarHBondContact NZ-O 3.47Å; A143-T147 VanDerWaalsContact O-CG2 3.25Å; A143-T147 WeakPolarHBondContact O-CG2 3.49Å; A143-T147 PolarHBondContact O-N 3.26Å; F144-T147 PolarHBondContact O-N 2.97Å; F144-T147 PolarHBondContact O-OG1 3.45Å
148L82.9Confident77.8Confident18 Ų1860.8 Ų60.89%0.09434%0.341CS..Hα-helixtrans-61.7-44.4179.9-74.5176000113.6S116 L119 V126 F144 V145 D146S116-L148 WeakPolarHBondContact O-CD2 3.12Å; L119-L148 HydrophobicContact CB-CD2 3.7Å; L119-L148 HydrophobicContact CD1-CD1 4.44Å; L119-L148 HydrophobicContact CD1-CD2 3.97Å; V126-L148 HydrophobicContact CB-CD1 3.86Å; V126-L148 HydrophobicContact CG2-CD1 4Å; F144-L148 HydrophobicContact CD1-CD1 3.88Å; F144-L148 HydrophobicContact CE1-CD1 3.35Å; F144-L148 HydrophobicContact CE1-CG 4.3Å; F144-L148 HydrophobicContact CE2-CD1 4.33Å; F144-L148 HydrophobicContact CZ-CD1 3.62Å; F144-L148 HydrophobicContact CZ-CG 4.26Å; F144-L148 WeakPolarHBondContact O-CG 3.26Å; F144-L148 PolarHBondContact O-N 3.43Å; V145-L148 WeakPolarHBondContact O-CB 3.16Å; V145-L148 PolarHBondContact O-N 2.9Å; V145-L148 VanDerWaalsContact O-N 3.14Å; D146-L148 VanDerWaalsContact C-N 3.31Å; D146-L148 PolarHBondContact O-N 3.22Å
149N80Confident78.2Confident45 Ų4561.1 Ų61.124%0.24134%0.343CS..Hα-helixtrans-68-37.8-175.1-75.8-22.3000112.5V145 D146 K151 D152 S156V145-N149 VanDerWaalsContact CG1-ND2 3.33Å; V145-N149 WeakPolarHBondContact CG1-ND2 3.37Å; V145-N149 WeakPolarHBondContact O-CB 3.26Å; V145-N149 PolarHBondContact O-N 3.44Å; V145-N149 PolarHBondContact O-ND2 2.98Å; D146-N149 PolarHBondContact O-N 3.48Å; N149-K151 PolarHBondContact O-N 3.44Å; N149-D152 PolarHBondContact O-N 3.43Å; N149-S156 PolarHBondContact ND2-O 3.06Å; N149-S156 WeakPolarHBondContact OD1-CB 3.31Å; N149-S156 PolarHBondContact OD1-N 3.29Å; N149-S156 PolarHBondContact OD1-O 3.04Å
150G71.7Confident78.4Confident55 Ų5558.2 Ų58.257%0.56734%0.335SS*.THydrogen-bonded Turntrans39-105.4166.900000115.5D146D146-G150 PolarHBondContact O-N 2.99Å; D146-G150 VanDerWaalsContact O-N 3.17Å
151K59.4Low78.4Confident204 Ų20454.6 Ų54.689%0.88732%0.319SS*.THydrogen-bonded Turntrans-111.4-23-171.9-71.3-174.4174.8-175.10115.4N149N149-K151 PolarHBondContact O-N 3.44Å
152D57.4Low78.3Confident160 Ų16058.1 Ų58.186%0.85634%0.342SS*.SBendtrans-123.752.8-160.7-73.8-50000113N149N149-D152 PolarHBondContact O-N 3.43Å
153G56.7Low78.1Confident53 Ų5358.6 Ų58.655%0.54635%0.354SS..  trans81.7155.5161.100000115.7G155G153-G155 PolarHBondContact O-N 3.3Å
154T63.5Low77.8Confident105 Ų10558.5 Ų58.564%0.64436%0.358SS*.SBendtrans-6836.9-164.353.70000115.6S156T154-S156 VanDerWaalsContact C-N 3.25Å; T154-S156 PolarHBondContact O-N 3.24Å
155G70.1Confident77.5Confident5 Ų560 Ų605%0.05237%0.369CS..  trans-68.6-21.6-174.400000114.8R98 N125 G153R98-G155 PolarHBondContact NH1-O 2.88Å; R98-G155 VanDerWaalsContact NH1-O 3.12Å; N125-G155 WeakPolarHBondContact CB-O 3.32Å; N125-G155 VanDerWaalsContact ND2-CA 3.31Å; N125-G155 WeakPolarHBondContact ND2-CA 3.12Å; N125-G155 PolarHBondContact ND2-O 2.9Å; N125-G155 VanDerWaalsContact ND2-O 3.07Å; G153-G155 PolarHBondContact O-N 3.3Å
156S81.4Confident77.3Confident13 Ų1361.6 Ų61.69%0.09138%0.381CS..  trans-108.7118.4-176.7-52.80000110.9V126 N149 T154V126-S156 PolarHBondContact N-OG 3.43Å; V126-S156 WeakPolarHBondContact O-CA 3.34Å; V126-S156 WeakPolarHBondContact O-CB 3.48Å; V126-S156 PolarHBondContact O-OG 3.2Å; N149-S156 PolarHBondContact ND2-O 3.06Å; N149-S156 WeakPolarHBondContact OD1-CB 3.31Å; N149-S156 PolarHBondContact OD1-N 3.29Å; N149-S156 PolarHBondContact OD1-O 3.04Å; T154-S156 VanDerWaalsContact C-N 3.25Å; T154-S156 PolarHBondContact O-N 3.24Å
157H86.4Confident77.1Confident60 Ų6056.5 Ų56.528%0.27835%0.354SS..  trans-108.8133.6-179.7-171.334.3000111.6V126 D127 V128 V159 A175V126-H157 PolarHBondContact O-N 3.45Å; D127-H157 CarbonylContact C-O 3.6Å; D127-H157 WeakPolarHBondContact CA-O 3.37Å; D127-H157 WeakPolarHBondContact OD1-CB 3.36Å; D127-H157 PolarHBondContact OD1-N 2.86Å; D127-H157 VanDerWaalsContact OD1-N 3.15Å; V128-H157 PolarHBondContact N-O 3.43Å; H157-V159 WeakPolarHBondContact CD2-CG2 2.96Å; H157-V159 WeakPolarHBondContact NE2-CG2 3.29Å; H157-A175 PolarHBondContact CD2-N 3.42Å
158L86.1Confident77Confident33 Ų3357.3 Ų57.317%0.17335%0.354CS..EExtended strand (participates in β ladder)trans-100.8119.6167.3179.366000109.2V128 L141 K142 V145 V160V128-L158 HydrophobicContact CB-CD1 3.96Å; V128-L158 HydrophobicContact CG1-CD1 4.01Å; V128-L158 WeakPolarHBondContact O-CA 3.11Å; L141-L158 HydrophobicContact CB-CD1 4.09Å; K142-L158 HydrophobicContact CB-CD2 4.39Å; K142-L158 HydrophobicContact CD-CD2 4.45Å; K142-L158 HydrophobicContact CG-CD2 3.39Å; V145-L158 HydrophobicContact CG2-CB 4.31Å; L158-V160 HydrophobicContact CD1-CG2 4.47Å; L158-V160 HydrophobicContact CD2-CG2 4.18Å; L158-V160 HydrophobicContact CG-CG2 4.06Å
159V86.9Confident77Confident8 Ų862 Ų625%0.04838%0.376CS..EExtended strand (participates in β ladder)trans-109.6115.4172.7-177.60000108V128 I129 S130 H157 V161 S170 S174 I176V128-V159 PolarHBondContact O-N 3.39Å; I129-V159 WeakPolarHBondContact CA-O 3.47Å; I129-V159 HydrophobicContact CG2-CB 4.15Å; I129-V159 HydrophobicContact CG2-CG1 4.28Å; S130-V159 PolarHBondContact N-O 3.26Å; H157-V159 WeakPolarHBondContact CD2-CG2 2.96Å; H157-V159 WeakPolarHBondContact NE2-CG2 3.29Å; V159-V161 HydrophobicContact CG1-CG2 3.92Å; V159-S170 WeakPolarHBondContact CG1-OG 3.29Å; V159-S174 VanDerWaalsContact CG2-CB 3.46Å; V159-I176 HydrophobicContact CG2-CD1 4.13Å
160V86.2Confident77.1Confident72 Ų7261.2 Ų61.244%0.43637%0.374SS..EExtended strand (participates in β ladder)trans-101.8112.1172.9-177.30000107.7L158L158-V160 HydrophobicContact CD1-CG2 4.47Å; L158-V160 HydrophobicContact CD2-CG2 4.18Å; L158-V160 HydrophobicContact CG-CG2 4.06Å
161V85.2Confident77.4Confident4 Ų458.6 Ų58.62%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-94.4120.5-179.1-1710000109.4Y21 I129 S130 F131 V159 S165 L167Y21-V161 HydrophobicContact CE1-CG1 4.08Å; Y21-V161 PolarHBondContact OH-O 2.98Å; Y21-V161 VanDerWaalsContact OH-O 3.11Å; I129-V161 HydrophobicContact CG2-CG2 4.04Å; S130-V161 PolarHBondContact O-N 3.02Å; F131-V161 HydrophobicContact CD1-CB 3.99Å; F131-V161 HydrophobicContact CD1-CG2 3.88Å; F131-V161 HydrophobicContact CE1-CB 4.42Å; F131-V161 HydrophobicContact CE1-CG2 3.83Å; V159-V161 HydrophobicContact CG1-CG2 3.92Å; V161-S165 WeakPolarHBondContact CG1-OG 3.42Å; V161-L167 HydrophobicContact CB-CD2 4.18Å; V161-L167 HydrophobicContact CG1-CD2 3.66Å; V161-L167 HydrophobicContact CG2-CD2 4.44Å
162P83.4Confident78.3Confident77 Ų7753.7 Ų53.750%0.533%0.33SS..PPolyproline II helixtrans-66148.5175.727.1-32.1000111S165P162-S165 PolarHBondContact O-OG 3.43Å
163P79.8Confident78.9Confident95 Ų9552.1 Ų52.162%0.61733%0.326SS*.THydrogen-bonded Turntrans-63.5142.1177.728.2-34.6000110.7
164G78.6Confident79.5Confident50 Ų5050 Ų5052%0.51530%0.303SS..THydrogen-bonded Turntrans87.2-10.1179.300000116.1D20D20-G164 WeakPolarHBondContact O-CA 3.46Å; D20-G164 PolarHBondContact O-N 3.43Å
165S78.1Confident79.3Confident40 Ų4046.7 Ų46.728%0.2829%0.286SS..SBendtrans-88.8150.117265.70000112Y21 V161 P162 L167Y21-S165 WeakPolarHBondContact CD1-O 3.4Å; Y21-S165 WeakPolarHBondContact CE1-O 3.45Å; V161-S165 WeakPolarHBondContact CG1-OG 3.42Å; P162-S165 PolarHBondContact O-OG 3.43Å; S165-L167 PolarHBondContact O-N 3.39Å
166S81.5Confident79Confident42 Ų4246.5 Ų46.529%0.29428%0.284SS..  trans-60.6119.3173.3-71.30000111.4Q168 E169 S170S166-Q168 VanDerWaalsContact C-N 3.25Å; S166-Q168 VanDerWaalsContact CB-NE2 3.29Å; S166-Q168 PolarHBondContact O-N 3.02Å; S166-Q168 PolarHBondContact OG-NE2 3.46Å; S166-E169 PolarHBondContact O-N 3.19Å; S166-E169 VanDerWaalsContact O-N 3.16Å; S166-E169 PolarHBondContact OG-OE1 2.9Å; S166-S170 PolarHBondContact O-N 3.31Å
167L80.5Confident78Confident2 Ų248.1 Ų48.11%0.0129%0.291CS..Hα-helixtrans-56.4-42.6178.6-61-168.5000111.7Y21 A28 A32 F131 V161 S165 E169 S170 L171Y21-L167 HydrophobicContact CD1-CD2 3.38Å; Y21-L167 HydrophobicContact CD1-CG 3.86Å; Y21-L167 HydrophobicContact CD2-CD2 4.34Å; Y21-L167 HydrophobicContact CE1-CD2 3.12Å; Y21-L167 HydrophobicContact CE1-CG 4.12Å; Y21-L167 HydrophobicContact CE2-CD2 4.1Å; Y21-L167 HydrophobicContact CG-CD1 4.49Å; Y21-L167 HydrophobicContact CG-CD2 3.99Å; Y21-L167 HydrophobicContact CG-CG 4.2Å; Y21-L167 VanDerWaalsContact CZ-CD2 3.49Å; A28-L167 HydrophobicContact CB-CD1 3.57Å; A28-L167 HydrophobicContact CB-CG 3.95Å; A32-L167 HydrophobicContact CB-CB 4.46Å; F131-L167 HydrophobicContact CD1-CD1 3.8Å; F131-L167 HydrophobicContact CD1-CD2 3.22Å; F131-L167 HydrophobicContact CD1-CG 4.09Å; F131-L167 HydrophobicContact CE1-CB 4.21Å; F131-L167 HydrophobicContact CE1-CD1 3.63Å; F131-L167 HydrophobicContact CE1-CD2 3.42Å; F131-L167 VanDerWaalsContact CE1-CD2 3.42Å; F131-L167 HydrophobicContact CE1-CG 3.94Å; F131-L167 HydrophobicContact CG-CD2 4.36Å; F131-L167 HydrophobicContact CZ-CD1 4.27Å; V161-L167 HydrophobicContact CB-CD2 4.18Å; V161-L167 HydrophobicContact CG1-CD2 3.66Å; V161-L167 HydrophobicContact CG2-CD2 4.44Å; S165-L167 PolarHBondContact O-N 3.39Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 2.8Å; L167-S170 PolarHBondContact O-N 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.78Å
168Q82.1Confident76.8Confident62 Ų6254.4 Ų54.429%0.2931%0.313SS..Hα-helixtrans-57.1-39.7178.456.9-82.111.800113.3L35 S166 L171 L172L35-Q168 HydrophobicContact CD2-CB 3.83Å; S166-Q168 VanDerWaalsContact C-N 3.25Å; S166-Q168 VanDerWaalsContact CB-NE2 3.29Å; S166-Q168 PolarHBondContact O-N 3.02Å; S166-Q168 PolarHBondContact OG-NE2 3.46Å; Q168-L171 PolarHBondContact O-N 2.92Å; Q168-L172 WeakPolarHBondContact O-CB 3.47Å; Q168-L172 VanDerWaalsContact O-CG 3.26Å; Q168-L172 WeakPolarHBondContact O-CG 3.34Å; Q168-L172 PolarHBondContact O-N 2.87Å
169E82.4Confident75.2Confident117 Ų11754.1 Ų54.155%0.54732%0.317SS..Hα-helixtrans-72.7-38.7-177.9-71.5172.3-159.100111.8S166 L167 L171 L172 T173S166-E169 PolarHBondContact O-N 3.19Å; S166-E169 VanDerWaalsContact O-N 3.16Å; S166-E169 PolarHBondContact OG-OE1 2.9Å; L167-E169 VanDerWaalsContact C-N 3.33Å; L167-E169 PolarHBondContact O-N 2.8Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 2.86Å; E169-L172 PolarHBondContact O-N 2.98Å; E169-T173 PolarHBondContact O-N 3.4Å; E169-T173 PolarHBondContact O-OG1 3.26Å
170S81.1Confident73.8Confident29 Ų2956.6 Ų56.620%0.20333%0.33CS..Hα-helixtrans-63.1-39.2173-170.30000110.7V159 S166 L167 T173 S174V159-S170 WeakPolarHBondContact CG1-OG 3.29Å; S166-S170 PolarHBondContact O-N 3.31Å; L167-S170 PolarHBondContact O-N 3.46Å; S170-T173 PolarHBondContact O-N 2.95Å; S170-S174 VanDerWaalsContact O-CB 3.26Å; S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-N 3.31Å
171L79.3Confident71.7Confident0 Ų055.6 Ų55.60%033%0.334CS..Hα-helixtrans-68.3-40.1176.6-68.7172.8000113.4A32 I36 I129 L167 Q168 E169 T173 S174 I176 I177A32-L171 HydrophobicContact CB-CD1 3.41Å; A32-L171 VanDerWaalsContact CB-CD1 3.41Å; I36-L171 HydrophobicContact CD1-CD1 4.35Å; I36-L171 HydrophobicContact CD1-CD2 4.47Å; I129-L171 HydrophobicContact CD1-CD2 3.57Å; I129-L171 HydrophobicContact CG1-CD2 4Å; I129-L171 HydrophobicContact CG2-CD2 4.26Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.78Å; Q168-L171 PolarHBondContact O-N 2.92Å; E169-L171 VanDerWaalsContact C-N 3.27Å; E169-L171 PolarHBondContact O-N 2.86Å; L171-T173 VanDerWaalsContact C-N 3.27Å; L171-T173 PolarHBondContact O-N 3.33Å; L171-S174 WeakPolarHBondContact CA-OG 3.32Å; L171-S174 PolarHBondContact O-N 2.86Å; L171-S174 PolarHBondContact O-OG 2.75Å; L171-I176 HydrophobicContact CD2-CD1 3.72Å; L171-I177 WeakPolarHBondContact O-CD1 3.21Å
172L78.5Confident69.5Low101 Ų10163.2 Ų63.253%0.52938%0.375SS..Hα-helixtrans-59.2-39.8173.4-74.8173.4000112.4L35 Q168 E169 I177L35-L172 HydrophobicContact CD1-CD2 4.28Å; L35-L172 HydrophobicContact CD2-CD2 4.13Å; L35-L172 HydrophobicContact CD2-CG 4.04Å; Q168-L172 WeakPolarHBondContact O-CB 3.47Å; Q168-L172 VanDerWaalsContact O-CG 3.26Å; Q168-L172 WeakPolarHBondContact O-CG 3.34Å; Q168-L172 PolarHBondContact O-N 2.87Å; E169-L172 PolarHBondContact O-N 2.98Å; L172-I177 HydrophobicContact CD2-CD1 3.81Å
173T69.8Low67.4Low127 Ų12767.7 Ų67.778%0.77939%0.389SS*.Hα-helixtrans-77.1-30.1178.6-51.30000111.9E169 S170 L171E169-T173 PolarHBondContact O-N 3.4Å; E169-T173 PolarHBondContact O-OG1 3.26Å; S170-T173 PolarHBondContact O-N 2.95Å; L171-T173 VanDerWaalsContact C-N 3.27Å; L171-T173 PolarHBondContact O-N 3.33Å
174S69.3Low65.6Low9 Ų967.1 Ų67.16%0.06339%0.385CS..SBendtrans-72.9154.4-177.177.20000113.8V159 S170 L171 I176V159-S174 VanDerWaalsContact CG2-CB 3.46Å; S170-S174 VanDerWaalsContact O-CB 3.26Å; S170-S174 WeakPolarHBondContact O-CB 3.27Å; S170-S174 PolarHBondContact O-N 3.31Å; L171-S174 WeakPolarHBondContact CA-OG 3.32Å; L171-S174 PolarHBondContact O-N 2.86Å; L171-S174 PolarHBondContact O-OG 2.75Å; S174-I176 PolarHBondContact O-N 2.87Å
175A59.5Low64Low34 Ų3470.1 Ų70.128%0.28140%0.399SS..Hα-helixtrans-66.4-3.9-177.400000115H157 I177 R178 G179H157-A175 PolarHBondContact CD2-N 3.42Å; A175-I177 VanDerWaalsContact C-N 3.26Å; A175-I177 PolarHBondContact O-N 2.84Å; A175-R178 PolarHBondContact O-N 3.43Å; A175-G179 PolarHBondContact O-N 3.45Å; A175-G179 VanDerWaalsContact O-N 3.12Å
176I61.9Low62.1Low1 Ų173.8 Ų73.81%0.00542%0.419CS..Hα-helixtrans-60.9-39.5179.7-57.1176.2000110.7I36 K40 V100 D127 I129 V159 L171 S174I36-I176 HydrophobicContact CD1-CG2 4.37Å; K40-I176 WeakPolarHBondContact CE-O 3.34Å; K40-I176 PolarHBondContact NZ-O 2.99Å; V100-I176 HydrophobicContact CG2-CG2 4.43Å; D127-I176 HydrophobicContact CB-CD1 4.22Å; D127-I176 HydrophobicContact CB-CG1 4.14Å; I129-I176 HydrophobicContact CD1-CD1 3.83Å; I129-I176 HydrophobicContact CG1-CD1 3.69Å; V159-I176 HydrophobicContact CG2-CD1 4.13Å; L171-I176 HydrophobicContact CD2-CD1 3.72Å; S174-I176 PolarHBondContact O-N 2.87Å
177I60.8Low60.3Low47 Ų4778.9 Ų78.924%0.24144%0.441CS..Hα-helixtrans-88.4-37.2179-61173.8000110.9C39 L171 L172 A175 G179C39-I177 HydrophobicContact CB-CB 4.47Å; C39-I177 HydrophobicContact CB-CD1 4.24Å; C39-I177 HydrophobicContact CB-CG1 3.98Å; C39-I177 HydrophobicContact CB-CG2 3.88Å; L171-I177 WeakPolarHBondContact O-CD1 3.21Å; L172-I177 HydrophobicContact CD2-CD1 3.81Å; A175-I177 VanDerWaalsContact C-N 3.26Å; A175-I177 PolarHBondContact O-N 2.84Å; I177-G179 PolarHBondContact O-N 2.9Å
178R60.7Low58.5Low193 Ų19384 Ų8473%0.72848%0.475SS*.Hα-helixtrans-62-31.7-176.9-160.1167.5-174.31730.5112.2A175A175-R178 PolarHBondContact O-N 3.43Å
179G54.1Low56.5Low26 Ų2686.2 Ų86.227%0.26850%0.497SS..  trans66.2138.2-17500000110.6A175 I177 G181A175-G179 PolarHBondContact O-N 3.45Å; A175-G179 VanDerWaalsContact O-N 3.12Å; I177-G179 PolarHBondContact O-N 2.9Å; G179-G181 PolarHBondContact O-N 2.89Å
180D56.2Low54.7Low61 Ų6188.2 Ų88.233%0.32651%0.51SS..SBendtrans-7027.7-179.1-61.9-60.3000114R96 R98R96-D180 IonicContact NH2-OD2 2.62Å; R98-D180 IonicContact NH2-OD2 2.82Å; R98-D180 PolarHBondContact NH2-OD2 3.46Å
181G42.7Very low52.6Low50 Ų5093.7 Ų93.752%0.51554%0.537SS..SBendtrans-135.795-174.300000110.5G179G179-G181 PolarHBondContact O-N 2.89Å
182D40Very low50.8Low164 Ų16498.4 Ų98.488%0.87758%0.576SS**  trans45.6126.2143-57.4-54.2000119.1
183E38.8Very low49.1Very low172 Ų17297.6 Ų97.680%0.80458%0.584SS**  trans91.2111.1166.5-127.4-169.2139.800116.5S185E183-S185 PolarHBondContact O-N 2.77Å; E183-S185 VanDerWaalsContact O-N 3.08Å
184P41.6Very low48Very low83 Ų8396 Ų9654%0.53959%0.593SS.*  trans-66.9110.816529.2-28.8000107T186P184-T186 VanDerWaalsContact C-N 3.27Å; P184-T186 PolarHBondContact O-N 2.81Å; P184-T186 PolarHBondContact O-OG1 3.11Å
185S45Very low47.1Very low113 Ų113100.9 Ų100.979%0.7961%0.614SS**  trans-51.499164.351.50000108E183 I187E183-S185 PolarHBondContact O-N 2.77Å; E183-S185 VanDerWaalsContact O-N 3.08Å; S185-I187 PolarHBondContact O-N 2.81Å
186T37.8Very low47.1Very low116 Ų116104.6 Ų104.671%0.71264%0.644SS**  trans-61.9108.1-179.4-67.60000106.6P184 P188P184-T186 VanDerWaalsContact C-N 3.27Å; P184-T186 PolarHBondContact O-N 2.81Å; P184-T186 PolarHBondContact O-OG1 3.11Å; T186-P188 WeakPolarHBondContact O-CD 3.3Å
187I43.9Very low47Very low149 Ų149111.9 Ų111.976%0.76468%0.676SS**  trans-56.6120.3164.3-59.3172.1000104.9S185 S189S185-I187 PolarHBondContact O-N 2.81Å; I187-S189 PolarHBondContact O-N 3.36Å
188P43.6Very low47.2Very low109 Ų109112.9 Ų112.971%0.70870%0.698SS**  trans-66.9104.5-176.426.5-30.5000107.4T186 I190T186-P188 WeakPolarHBondContact O-CD 3.3Å; P188-I190 PolarHBondContact O-N 3.35Å
189S39.3Very low47.6Very low109 Ų109105.2 Ų105.276%0.76267%0.672SS**  trans-69.6121177.7-170.60000108.6I187 N191I187-S189 PolarHBondContact O-N 3.36Å; S189-N191 PolarHBondContact O-N 3.03Å
190I45.4Very low48.5Very low160 Ų160107 Ų10782%0.82168%0.676SS**SBendtrans-71.215.7-166-77.2164.5000114.5P188P188-I190 PolarHBondContact O-N 3.35Å
191N36.8Very low49.1Very low143 Ų143107.5 Ų107.577%0.76568%0.682SS**  trans-139.997.1-170.1-75-29.7000113.8S189S189-N191 PolarHBondContact O-N 3.03Å
192A40.7Very low50.6Low100 Ų100111.6 Ų111.683%0.82669%0.692SS**SBendtrans-174.6123.9139.600000111
193A43.5Very low52.5Low83 Ų83110.9 Ų110.969%0.68668%0.684SS**SBendtrans72.294.8163.500000117.9F195A193-F195 VanDerWaalsContact O-CD2 3.25Å; A193-F195 WeakPolarHBondContact O-CD2 3.35Å; A193-F195 PolarHBondContact O-N 3.42Å
194G47.1Very low54.7Low95 Ų95106.9 Ų106.998%0.97967%0.668SS**SBend60-11.7129.700000121.8
195F49.4Very low56.6Low111 Ų111107.4 Ų107.449%0.48767%0.671SS.*  trans-88.1108.2174.4-69.8-83.8000107.5A193 F197 G198 V199A193-F195 VanDerWaalsContact O-CD2 3.25Å; A193-F195 WeakPolarHBondContact O-CD2 3.35Å; A193-F195 PolarHBondContact O-N 3.42Å; F195-F197 PolarHBondContact O-N 3.16Å; F195-G198 PolarHBondContact O-N 2.93Å; F195-G198 VanDerWaalsContact O-N 3.14Å; F195-V199 WeakPolarHBondContact CD1-O 3.27Å
196A59Low58.5Low112 Ų112110 Ų11093%0.92667%0.671SS**THydrogen-bonded Turntrans-58.1-5.3-174.300000115.2
197F61.4Low60.5Low154 Ų154108.1 Ų108.168%0.67566%0.656SS**THydrogen-bonded Turntrans-153.520168.6-163.6-109.1000113.4F195 V199 L211F195-F197 PolarHBondContact O-N 3.16Å; F197-V199 HydrophobicContact CD1-CG2 3.87Å; F197-V199 PolarHBondContact O-N 3.12Å; F197-L211 HydrophobicContact CB-CD1 4.18Å; F197-L211 HydrophobicContact CD1-CD1 3.48Å; F197-L211 VanDerWaalsContact CD1-CD1 3.48Å; F197-L211 HydrophobicContact CD1-CD2 4.08Å; F197-L211 HydrophobicContact CD1-CG 4.46Å; F197-L211 HydrophobicContact CE1-CD1 4.2Å; F197-L211 HydrophobicContact CE1-CD2 4.18Å; F197-L211 HydrophobicContact CG-CD1 4.11Å
198G64.8Low62.3Low67 Ų67102.1 Ų102.169%0.69163%0.628SS**SBendtrans65.819.9-177.100000115.3F195F195-G198 PolarHBondContact O-N 2.93Å; F195-G198 VanDerWaalsContact O-N 3.14Å
199V68Low64.1Low32 Ų32103.1 Ų103.119%0.19463%0.625CS.*  trans-106120.7178.9177.40000109.5F195 F197 L207 L211F195-V199 WeakPolarHBondContact CD1-O 3.27Å; F197-V199 HydrophobicContact CD1-CG2 3.87Å; F197-V199 PolarHBondContact O-N 3.12Å; V199-L207 HydrophobicContact CG1-CB 4.4Å; V199-L207 HydrophobicContact CG1-CD2 3.96Å; V199-L207 HydrophobicContact CG1-CG 4.13Å; V199-L207 HydrophobicContact CG2-CD2 3.84Å; V199-L207 HydrophobicContact CG2-CG 4.35Å; V199-L211 HydrophobicContact CB-CD1 4.31Å; V199-L211 HydrophobicContact CG2-CD1 3.75Å
200D72.6Confident66.3Low64 Ų64100.2 Ų100.234%0.34261%0.608SS.*  trans-78.1123.3175.1-165.6-30.3000109.8N202 E203D200-N202 PolarHBondContact O-N 3.4Å; D200-N202 PolarHBondContact OD1-N 2.92Å; D200-N202 VanDerWaalsContact OD1-N 3.08Å; D200-N202 PolarHBondContact OD1-ND2 3.35Å; D200-E203 HydrophobicContact CB-CG 4.4Å; D200-E203 PolarHBondContact O-N 2.81Å
201P69.1Low68.1Low72 Ų7294.8 Ų94.847%0.46858%0.58SS.*THydrogen-bonded Turntrans-66.5-14.3-18027.5-36.1000114.6
202N75.9Confident70.4Confident135 Ų13597 Ų9772%0.72258%0.578SS**THydrogen-bonded Turntrans-85.1-32.7179.2-60.7-56000113.2D200D200-N202 PolarHBondContact O-N 3.4Å; D200-N202 PolarHBondContact OD1-N 2.92Å; D200-N202 VanDerWaalsContact OD1-N 3.08Å; D200-N202 PolarHBondContact OD1-ND2 3.35Å
203E79.1Confident72.7Confident149 Ų14996.1 Ų96.170%0.69656%0.562SS**THydrogen-bonded Turntrans-80-44.2-177.5-68.3-66138.600111.2D200D200-E203 HydrophobicContact CB-CG 4.4Å; D200-E203 PolarHBondContact O-N 2.81Å
204D84.6Confident74.7Confident89 Ų8995 Ų9548%0.47655%0.55SS..  trans-131.380.7-174.5-71.2-45.3000112.7E206 L207 A208D204-E206 PolarHBondContact O-N 3.04Å; D204-L207 HydrophobicContact CB-CB 3.78Å; D204-L207 PolarHBondContact O-N 2.88Å; D204-A208 WeakPolarHBondContact O-CB 3.21Å; D204-A208 PolarHBondContact O-N 3.44Å
205P82.7Confident76.5Confident93 Ų9396.3 Ų96.360%0.60453%0.533SS*.Hα-helixtrans-61.6-29.2177.925.1-34.2000112.7M209P205-M209 WeakPolarHBondContact O-CB 3.11Å; P205-M209 PolarHBondContact O-N 3.47Å
206E83Confident78.3Confident168 Ų16897 Ų9779%0.78554%0.538SS*.Hα-helixtrans-72.4-43.2178.1-167.9178.2177.900112D204 M209 A210D204-E206 PolarHBondContact O-N 3.04Å; E206-M209 PolarHBondContact O-N 3.39Å; E206-A210 WeakPolarHBondContact O-CB 3.35Å; E206-A210 PolarHBondContact O-N 3.05Å
207L81.8Confident79.6Confident77 Ų7796.2 Ų96.240%0.40352%0.515SS..Hα-helixtrans-68.6-40.3177.4-17561.4000111.4V199 D204 M209 A210 L211V199-L207 HydrophobicContact CG1-CB 4.4Å; V199-L207 HydrophobicContact CG1-CD2 3.96Å; V199-L207 HydrophobicContact CG1-CG 4.13Å; V199-L207 HydrophobicContact CG2-CD2 3.84Å; V199-L207 HydrophobicContact CG2-CG 4.35Å; D204-L207 HydrophobicContact CB-CB 3.78Å; D204-L207 PolarHBondContact O-N 2.88Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 2.78Å; L207-A210 PolarHBondContact O-N 3.24Å; L207-L211 HydrophobicContact CD1-CG 4.49Å; L207-L211 HydrophobicContact CG-CD1 4.27Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.28Å
208A81.4Confident80.7Confident22 Ų2294.4 Ų94.418%0.18251%0.509CS..Hα-helixtrans-61.6-38173.700000111.9D204 R212D204-A208 WeakPolarHBondContact O-CB 3.21Å; D204-A208 PolarHBondContact O-N 3.44Å; A208-R212 WeakPolarHBondContact O-CG 3.49Å; A208-R212 PolarHBondContact O-N 2.75Å
209M80.7Confident81.6Confident130 Ų13098.9 Ų98.964%0.6451%0.505SS*.Hα-helixtrans-67.9-46.1174-172.1178.3-70.100111.5P205 E206 L207 L211 R212 V213P205-M209 WeakPolarHBondContact O-CB 3.11Å; P205-M209 PolarHBondContact O-N 3.47Å; E206-M209 PolarHBondContact O-N 3.39Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 2.78Å; M209-L211 PolarHBondContact O-N 3.03Å; M209-R212 PolarHBondContact O-N 3.32Å; M209-V213 HydrophobicContact CG-CG2 4.48Å; M209-V213 WeakPolarHBondContact O-CG2 3.26Å; M209-V213 PolarHBondContact O-N 2.89Å
210A85.1Confident82.3Confident48 Ų48102.4 Ų102.440%0.39752%0.519SS..Hα-helixtrans-61.6-40.918000000112.8E206 L207 V213 S214E206-A210 WeakPolarHBondContact O-CB 3.35Å; E206-A210 PolarHBondContact O-N 3.05Å; L207-A210 PolarHBondContact O-N 3.24Å; A210-V213 PolarHBondContact O-N 3.49Å; A210-S214 VanDerWaalsContact O-CB 3.27Å; A210-S214 WeakPolarHBondContact O-CB 3.27Å; A210-S214 PolarHBondContact O-N 2.79Å; A210-S214 PolarHBondContact O-OG 3.26Å
211L84.3Confident82.7Confident46 Ų46106.9 Ų106.924%0.24153%0.531CS..Hα-helixtrans-68.7-37176-72.6171.1000112.3F197 V199 L207 M209 S214 L215F197-L211 HydrophobicContact CB-CD1 4.18Å; F197-L211 HydrophobicContact CD1-CD1 3.48Å; F197-L211 VanDerWaalsContact CD1-CD1 3.48Å; F197-L211 HydrophobicContact CD1-CD2 4.08Å; F197-L211 HydrophobicContact CD1-CG 4.46Å; F197-L211 HydrophobicContact CE1-CD1 4.2Å; F197-L211 HydrophobicContact CE1-CD2 4.18Å; F197-L211 HydrophobicContact CG-CD1 4.11Å; V199-L211 HydrophobicContact CB-CD1 4.31Å; V199-L211 HydrophobicContact CG2-CD1 3.75Å; L207-L211 HydrophobicContact CD1-CG 4.49Å; L207-L211 HydrophobicContact CG-CD1 4.27Å; L207-L211 WeakPolarHBondContact O-CG 3.41Å; L207-L211 PolarHBondContact O-N 3.28Å; M209-L211 PolarHBondContact O-N 3.03Å; L211-S214 PolarHBondContact O-N 3.4Å; L211-L215 WeakPolarHBondContact O-CB 3.5Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 2.8Å
212R85Confident83.3Confident190 Ų190109.2 Ų109.272%0.71754%0.536SS*.Hα-helixtrans-62.6-47.8172.4-78.1-179.1-179.7-176.22.8111.5A208 M209 S214 L215 E216A208-R212 WeakPolarHBondContact O-CG 3.49Å; A208-R212 PolarHBondContact O-N 2.75Å; M209-R212 PolarHBondContact O-N 3.32Å; R212-S214 VanDerWaalsContact C-N 3.34Å; R212-S214 PolarHBondContact O-N 3.38Å; R212-L215 PolarHBondContact O-N 3.22Å; R212-E216 WeakPolarHBondContact O-CB 3.48Å; R212-E216 PolarHBondContact O-N 3.46Å
213V87.4Confident83.7Confident82 Ų82107.5 Ų107.550%0.49752%0.524SS..Hα-helixtrans-62.1-42.7176.7173.30000110.9M209 A210 E216 E217M209-V213 HydrophobicContact CG-CG2 4.48Å; M209-V213 WeakPolarHBondContact O-CG2 3.26Å; M209-V213 PolarHBondContact O-N 2.89Å; A210-V213 PolarHBondContact O-N 3.49Å; V213-E216 PolarHBondContact O-N 3.24Å; V213-E217 WeakPolarHBondContact O-CB 3.43Å; V213-E217 PolarHBondContact O-N 3.01Å
214S85.3Confident83.7Confident60 Ų60106.1 Ų106.142%0.4252%0.52SS..Hα-helixtrans-66.6-39.6179.6-59.90000112.5A210 L211 R212 Q218A210-S214 VanDerWaalsContact O-CB 3.27Å; A210-S214 WeakPolarHBondContact O-CB 3.27Å; A210-S214 PolarHBondContact O-N 2.79Å; A210-S214 PolarHBondContact O-OG 3.26Å; L211-S214 PolarHBondContact O-N 3.4Å; R212-S214 VanDerWaalsContact C-N 3.34Å; R212-S214 PolarHBondContact O-N 3.38Å; S214-Q218 WeakPolarHBondContact O-CB 3.14Å; S214-Q218 PolarHBondContact O-N 3.14Å
215L85.9Confident83.5Confident121 Ų121106 Ų10663%0.63452%0.52SS*.Hα-helixtrans-66.6-38.5174.6-81.3166.9000111.8L211 R212 R219L211-L215 WeakPolarHBondContact O-CB 3.5Å; L211-L215 WeakPolarHBondContact O-CG 3.38Å; L211-L215 PolarHBondContact O-N 2.8Å; R212-L215 PolarHBondContact O-N 3.22Å; L215-R219 VanDerWaalsContact O-CB 3.3Å; L215-R219 WeakPolarHBondContact O-CB 3.02Å; L215-R219 PolarHBondContact O-N 3.04Å
216E86.9Confident83.3Confident125 Ų125104.4 Ų104.458%0.58451%0.514SS*.Hα-helixtrans-68-42.2176.2-169.3165.5-171.900111.8R212 V213 R219 Q220R212-E216 WeakPolarHBondContact O-CB 3.48Å; R212-E216 PolarHBondContact O-N 3.46Å; V213-E216 PolarHBondContact O-N 3.24Å; E216-R219 PolarHBondContact O-N 3.43Å; E216-Q220 WeakPolarHBondContact O-CG 3.23Å; E216-Q220 PolarHBondContact O-N 2.77Å
217E85.8Confident82.8Confident96 Ų96102.7 Ų102.745%0.44951%0.508SS..Hα-helixtrans-67.4-43.6175.8-169.1-174.2165.900112V213 R219 Q220 R221V213-E217 WeakPolarHBondContact O-CB 3.43Å; V213-E217 PolarHBondContact O-N 3.01Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.08Å; E217-Q220 PolarHBondContact O-N 3.15Å; E217-R221 PolarHBondContact O-N 2.82Å; E217-R221 IonicContact OE1-NE 3.8Å; E217-R221 IonicContact OE1-NH2 3.94Å
218Q84.6Confident82.3Confident116 Ų116107.8 Ų107.854%0.54252%0.522SS..Hα-helixtrans-65.8-34.5179-165.3170.5-53.700111.3S214 R221 Q222S214-Q218 WeakPolarHBondContact O-CB 3.14Å; S214-Q218 PolarHBondContact O-N 3.14Å; Q218-R221 PolarHBondContact O-N 3.48Å; Q218-Q222 VanDerWaalsContact O-CG 3.3Å; Q218-Q222 WeakPolarHBondContact O-CG 3.46Å; Q218-Q222 PolarHBondContact O-N 2.91Å
219R83.6Confident81.8Confident161 Ų161111.3 Ų111.361%0.60854%0.537SS*.Hα-helixtrans-64.5-46.5170.6-178.1-177.4176160.33.6111.7L215 E216 E217 R221 Q222 E223L215-R219 VanDerWaalsContact O-CB 3.3Å; L215-R219 WeakPolarHBondContact O-CB 3.02Å; L215-R219 PolarHBondContact O-N 3.04Å; E216-R219 PolarHBondContact O-N 3.43Å; E217-R219 VanDerWaalsContact C-N 3.28Å; E217-R219 PolarHBondContact O-N 3.08Å; R219-R221 VanDerWaalsContact C-N 3.3Å; R219-R221 PolarHBondContact O-N 2.62Å; R219-Q222 PolarHBondContact O-N 2.91Å; R219-Q222 VanDerWaalsContact O-N 3.15Å; R219-E223 IonicContact CZ-OE1 3.87Å; R219-E223 IonicContact NE-OE1 3.57Å; R219-E223 PolarHBondContact NE-OE1 3.4Å; R219-E223 IonicContact NH2-OE1 2.69Å; R219-E223 WeakPolarHBondContact O-CG 3.21Å; R219-E223 PolarHBondContact O-N 2.86Å
220Q83.4Confident81.2Confident107 Ų107107.6 Ų107.650%0.553%0.527SS..Hα-helixtrans-59.7-41.2176.5-73.8178.119.600111.8E216 E217 E223 L224E216-Q220 WeakPolarHBondContact O-CG 3.23Å; E216-Q220 PolarHBondContact O-N 2.77Å; E217-Q220 PolarHBondContact O-N 3.15Å; Q220-E223 PolarHBondContact O-N 2.96Å; Q220-L224 WeakPolarHBondContact O-CG 3.46Å; Q220-L224 PolarHBondContact O-N 3.06Å
221R80.7Confident80.1Confident158 Ų158109.4 Ų109.460%0.59653%0.533SS*.Hα-helixtrans-61.5-44.3173.4-78.4-178.3177.2-128.62.8112.3E217 Q218 R219 E223 L224 D225E217-R221 PolarHBondContact O-N 2.82Å; E217-R221 IonicContact OE1-NE 3.8Å; E217-R221 IonicContact OE1-NH2 3.94Å; Q218-R221 PolarHBondContact O-N 3.48Å; R219-R221 VanDerWaalsContact C-N 3.3Å; R219-R221 PolarHBondContact O-N 2.62Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 PolarHBondContact O-N 3.17Å; R221-L224 PolarHBondContact O-N 2.69Å; R221-D225 WeakPolarHBondContact O-CB 3.49Å; R221-D225 PolarHBondContact O-N 3.43Å
222Q82.7Confident78.4Confident120 Ų120111 Ų11156%0.56155%0.549SS*.Hα-helixtrans-62.9-38176.2-75176.10.200112Q218 R219 A226Q218-Q222 VanDerWaalsContact O-CG 3.3Å; Q218-Q222 WeakPolarHBondContact O-CG 3.46Å; Q218-Q222 PolarHBondContact O-N 2.91Å; R219-Q222 PolarHBondContact O-N 2.91Å; R219-Q222 VanDerWaalsContact O-N 3.15Å; Q222-A226 WeakPolarHBondContact O-CB 3.44Å; Q222-A226 PolarHBondContact O-N 3.5Å
223E82.9Confident76.7Confident100 Ų100111.1 Ų111.147%0.46755%0.55SS.*Hα-helixtrans-68.6-40.6175.9-72.2175.9-17100111.6R219 Q220 R221 A226 M227R219-E223 IonicContact CZ-OE1 3.87Å; R219-E223 IonicContact NE-OE1 3.57Å; R219-E223 PolarHBondContact NE-OE1 3.4Å; R219-E223 IonicContact NH2-OE1 2.69Å; R219-E223 WeakPolarHBondContact O-CG 3.21Å; R219-E223 PolarHBondContact O-N 2.86Å; Q220-E223 PolarHBondContact O-N 2.96Å; R221-E223 VanDerWaalsContact C-N 3.31Å; R221-E223 PolarHBondContact O-N 3.17Å; E223-A226 PolarHBondContact O-N 3.28Å; E223-M227 VanDerWaalsContact O-CB 3.22Å; E223-M227 WeakPolarHBondContact O-CB 3.5Å; E223-M227 PolarHBondContact O-N 3.07Å
224L80.4Confident74.5Confident119 Ų119117.7 Ų117.762%0.62357%0.566SS**Hα-helixtrans-65.3-43.2173.7-71.8174.3000112.2Q220 R221 M227 R228Q220-L224 WeakPolarHBondContact O-CG 3.46Å; Q220-L224 PolarHBondContact O-N 3.06Å; R221-L224 PolarHBondContact O-N 2.69Å; L224-M227 PolarHBondContact O-N 3.15Å; L224-R228 WeakPolarHBondContact O-CB 3.33Å; L224-R228 PolarHBondContact O-N 2.93Å
225D79.8Confident72.2Confident88 Ų88121.8 Ų121.847%0.47158%0.577SS.*Hα-helixtrans-69.7-35.9176.6-76.3-28.6000111.5R221 R228 N229R221-D225 WeakPolarHBondContact O-CB 3.49Å; R221-D225 PolarHBondContact O-N 3.43Å; D225-R228 PolarHBondContact O-N 3.49Å; D225-N229 WeakPolarHBondContact O-CB 3.48Å; D225-N229 VanDerWaalsContact O-CG 3.27Å; D225-N229 PolarHBondContact O-N 3.12Å
226A78.9Confident69.8Low58 Ų58121.3 Ų121.348%0.47958%0.582SS.*Hα-helixtrans-67.9-39.617300000111.3Q222 E223 N229 A230Q222-A226 WeakPolarHBondContact O-CB 3.44Å; Q222-A226 PolarHBondContact O-N 3.5Å; E223-A226 PolarHBondContact O-N 3.28Å; A226-N229 PolarHBondContact O-N 3.4Å; A226-A230 VanDerWaalsContact O-CB 3.23Å; A226-A230 WeakPolarHBondContact O-CB 3.25Å; A226-A230 PolarHBondContact O-N 2.88Å
227M73Confident67.3Low132 Ų132124.5 Ų124.565%0.6559%0.594SS**Hα-helixtrans-68.7-41.1174.8-165.4167.8-172.100110.8E223 L224 A230 V231E223-M227 VanDerWaalsContact O-CB 3.22Å; E223-M227 WeakPolarHBondContact O-CB 3.5Å; E223-M227 PolarHBondContact O-N 3.07Å; L224-M227 PolarHBondContact O-N 3.15Å; M227-A230 PolarHBondContact O-N 2.96Å; M227-V231 WeakPolarHBondContact O-CB 3.05Å; M227-V231 VanDerWaalsContact O-CG2 3.27Å; M227-V231 WeakPolarHBondContact O-CG2 3.09Å; M227-V231 PolarHBondContact O-N 2.96Å
228R71.3Confident64.7Low185 Ų185128 Ų12870%0.69861%0.608SS**Hα-helixtrans-61.1-44.8172.8-175.8-178.9-175.7175.43111.3L224 D225 V231 S232L224-R228 WeakPolarHBondContact O-CB 3.33Å; L224-R228 PolarHBondContact O-N 2.93Å; D225-R228 PolarHBondContact O-N 3.49Å; R228-V231 PolarHBondContact O-N 3.12Å; R228-S232 WeakPolarHBondContact O-CB 3.27Å; R228-S232 PolarHBondContact O-N 2.99Å
229N70.5Confident62.3Low96 Ų96125.3 Ų125.351%0.51361%0.606SS.*Hα-helixtrans-64.8-41.8174.6-80.6-17.5000111D225 A226 V231 S232 Y233D225-N229 WeakPolarHBondContact O-CB 3.48Å; D225-N229 VanDerWaalsContact O-CG 3.27Å; D225-N229 PolarHBondContact O-N 3.12Å; A226-N229 PolarHBondContact O-N 3.4Å; N229-V231 PolarHBondContact O-N 2.89Å; N229-S232 CarbonylContact O-C 3.6Å; N229-S232 WeakPolarHBondContact O-CA 3.33Å; N229-S232 WeakPolarHBondContact O-CB 3.35Å; N229-S232 PolarHBondContact O-N 3.08Å; N229-S232 VanDerWaalsContact O-N 3.12Å; N229-Y233 WeakPolarHBondContact O-CD2 3.33Å; N229-Y233 PolarHBondContact O-N 3.03Å
230A67.1Low59.8Low52 Ų52125.4 Ų125.443%0.4361%0.613SS.*Hα-helixtrans-65.5-36.4176.900000112.5A226 M227 S232 Y233 R234A226-A230 VanDerWaalsContact O-CB 3.23Å; A226-A230 WeakPolarHBondContact O-CB 3.25Å; A226-A230 PolarHBondContact O-N 2.88Å; M227-A230 PolarHBondContact O-N 2.96Å; A230-S232 VanDerWaalsContact C-N 3.35Å; A230-Y233 PolarHBondContact O-N 2.75Å; A230-R234 PolarHBondContact O-N 3.37Å
231V63.6Low57.7Low86 Ų86128 Ų12852%0.52163%0.629SS.*Hα-helixtrans-65.9-40.7170.9172.90000110.1M227 R228 N229 Y233 R234 F235M227-V231 WeakPolarHBondContact O-CB 3.05Å; M227-V231 VanDerWaalsContact O-CG2 3.27Å; M227-V231 WeakPolarHBondContact O-CG2 3.09Å; M227-V231 PolarHBondContact O-N 2.96Å; R228-V231 PolarHBondContact O-N 3.12Å; N229-V231 PolarHBondContact O-N 2.89Å; V231-Y233 VanDerWaalsContact C-N 3.31Å; V231-Y233 PolarHBondContact O-N 2.86Å; V231-R234 PolarHBondContact O-N 2.79Å; V231-R234 VanDerWaalsContact O-N 3.15Å; V231-F235 PolarHBondContact O-N 2.97Å
232S48.6Very low55.8Low80 Ų80126 Ų12656%0.55963%0.634SS**Hα-helixtrans-61.3-38174.6-1610000112R228 N229 A230R228-S232 WeakPolarHBondContact O-CB 3.27Å; R228-S232 PolarHBondContact O-N 2.99Å; N229-S232 CarbonylContact O-C 3.6Å; N229-S232 WeakPolarHBondContact O-CA 3.33Å; N229-S232 WeakPolarHBondContact O-CB 3.35Å; N229-S232 PolarHBondContact O-N 3.08Å; N229-S232 VanDerWaalsContact O-N 3.12Å; A230-S232 VanDerWaalsContact C-N 3.35Å
233Y49.1Very low53.9Low192 Ų192125.7 Ų125.775%0.75364%0.642SS**Hα-helixtrans-73.4-30173.5-80-74.5000113.8N229 A230 V231N229-Y233 WeakPolarHBondContact O-CD2 3.33Å; N229-Y233 PolarHBondContact O-N 3.03Å; A230-Y233 PolarHBondContact O-N 2.75Å; V231-Y233 VanDerWaalsContact C-N 3.31Å; V231-Y233 PolarHBondContact O-N 2.86Å
234R41.4Very low52.2Low220 Ų220126 Ų12683%0.8365%0.647SS**Hα-helixtrans-77.7-29.8175.2-81.6-168.3175.61711.2113.7A230 V231 C236A230-R234 PolarHBondContact O-N 3.37Å; V231-R234 PolarHBondContact O-N 2.79Å; V231-R234 VanDerWaalsContact O-N 3.15Å; R234-C236 PolarHBondContact O-N 2.68Å
235F36.7Very low51.3Low146 Ų146124.1 Ų124.164%0.6464%0.641SS**Hα-helixtrans-71.2-17.9177.5-135.7-96.4000112.6V231 F237 A239V231-F235 PolarHBondContact O-N 2.97Å; F235-F237 VanDerWaalsContact C-N 3.32Å; F235-F237 PolarHBondContact O-N 3.22Å; F235-A239 HydrophobicContact CD1-CB 4.19Å; F235-A239 HydrophobicContact CE1-CB 3.58Å; F235-A239 HydrophobicContact CZ-CB 3.97Å
236C35.4Very low50.6Low111 Ų111127.2 Ų127.275%0.7565%0.652SS**THydrogen-bonded Turntrans-76.4-7.9-179-158.60000114.9R234R234-C236 PolarHBondContact O-N 2.68Å
237F34.7Very low50.2Low192 Ų192130.9 Ų130.984%0.84266%0.659SS**SBendtrans-118.9-1.7176.1-159.5-103.6000115.8F235F235-F237 VanDerWaalsContact C-N 3.32Å; F235-F237 PolarHBondContact O-N 3.22Å
238K29.9Very low50Low168 Ų168127.8 Ų127.873%0.7365%0.645SS**  trans-160.490.4172.4-131.6174.7-179.8-178.70112.5
239A35.3Very low50.2Low60 Ų60124.8 Ų124.850%0.49664%0.639SS.*  trans-143.687.7145.800000105.7F235 I241F235-A239 HydrophobicContact CD1-CB 4.19Å; F235-A239 HydrophobicContact CE1-CB 3.58Å; F235-A239 HydrophobicContact CZ-CB 3.97Å; A239-I241 PolarHBondContact O-N 3.08Å
240E31.3Very low50.5Low163 Ų163126 Ų12676%0.76264%0.642SS**  trans-43.4134.2151.1-81.5163.2150.100107.6T242E240-T242 PolarHBondContact O-N 2.96Å
241I37.7Very low50.8Low163 Ų163128.7 Ų128.784%0.83665%0.649SS**  trans-56.988.2177.3-59.1153.4000107.2A239A239-I241 PolarHBondContact O-N 3.08Å
242T41.9Very low51.4Low115 Ų115130 Ų13071%0.70665%0.652SS**PPolyproline II helixtrans-71126.5153.1470000105.1E240 L244E240-T242 PolarHBondContact O-N 2.96Å; T242-L244 PolarHBondContact O-N 3.16Å
243P42.6Very low52.9Low113 Ų113130.9 Ų130.973%0.73465%0.649SS**PPolyproline II helixtrans-53.5121.5-17523.1-32.6000108.1T245P243-T245 PolarHBondContact O-N 2.9Å; P243-T245 VanDerWaalsContact O-N 3.1Å
244L46.9Very low54.6Low106 Ų106124.1 Ų124.156%0.55563%0.633SS**PPolyproline II helixtrans-46.7118.5178.6-69165.9000107.3T242 D248T242-L244 PolarHBondContact O-N 3.16Å; L244-D248 HydrophobicContact CB-CB 3.84Å; L244-D248 HydrophobicContact CD2-CB 3.68Å; L244-D248 WeakPolarHBondContact CD2-OD2 3.49Å; L244-D248 HydrophobicContact CG-CB 4.26Å
245T62.5Low56.4Low81 Ų81118.7 Ų118.750%0.49762%0.62SS.*PPolyproline II helixtrans-63.3158.7175.7450000108.2P243 E247 D248P243-T245 PolarHBondContact O-N 2.9Å; P243-T245 VanDerWaalsContact O-N 3.1Å; T245-E247 PolarHBondContact O-N 3.5Å; T245-D248 PolarHBondContact O-N 3.22Å
246E64.6Low58.7Low152 Ų152117.7 Ų117.771%0.7162%0.618SS**Hα-helixtrans-50.5-23.4-179.9-61.6176.4173.400112.8Q250E246-Q250 WeakPolarHBondContact O-CG 3.25Å; E246-Q250 PolarHBondContact O-N 2.89Å; E246-Q250 VanDerWaalsContact O-N 3.16Å
247E70.1Confident60.9Low136 Ų136116.8 Ų116.864%0.63661%0.605SS**Hα-helixtrans-67.7-36.6175.7-57.1-177158.600113.7T245 Q250 L251T245-E247 PolarHBondContact O-N 3.5Å; E247-Q250 WeakPolarHBondContact O-CB 3.34Å; E247-Q250 PolarHBondContact O-N 3.05Å; E247-L251 WeakPolarHBondContact O-CB 3.31Å; E247-L251 PolarHBondContact O-N 3.33Å
248D69.8Low63.2Low66 Ų66111 Ų11135%0.35359%0.588SS.*Hα-helixtrans-74.8-35-179.8-76.2-35.4000111.7L244 T245 Q250 L251 L252L244-D248 HydrophobicContact CB-CB 3.84Å; L244-D248 HydrophobicContact CD2-CB 3.68Å; L244-D248 WeakPolarHBondContact CD2-OD2 3.49Å; L244-D248 HydrophobicContact CG-CB 4.26Å; T245-D248 PolarHBondContact O-N 3.22Å; D248-Q250 VanDerWaalsContact C-N 3.34Å; D248-L251 PolarHBondContact O-N 3.19Å; D248-L252 PolarHBondContact O-N 3.39Å
249E74.1Confident65.8Low122 Ų122108 Ų10857%0.5758%0.58SS**Hα-helixtrans-64.1-41.7170.3-66.2-170.8163.100110.6L251 L252 I253E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 3.03Å; E249-L252 PolarHBondContact O-N 3.08Å; E249-I253 WeakPolarHBondContact O-CB 3.39Å; E249-I253 WeakPolarHBondContact O-CD1 3.35Å; E249-I253 WeakPolarHBondContact O-CG1 3.31Å; E249-I253 PolarHBondContact O-N 3.24Å
250Q76.4Confident68Low121 Ų121108.5 Ų108.557%0.56557%0.574SS**Hα-helixtrans-61.7-38.4173.3-71.5168.724.100111.9E246 E247 D248 I253 A254E246-Q250 WeakPolarHBondContact O-CG 3.25Å; E246-Q250 PolarHBondContact O-N 2.89Å; E246-Q250 VanDerWaalsContact O-N 3.16Å; E247-Q250 WeakPolarHBondContact O-CB 3.34Å; E247-Q250 PolarHBondContact O-N 3.05Å; D248-Q250 VanDerWaalsContact C-N 3.34Å; Q250-I253 PolarHBondContact O-N 3.01Å; Q250-A254 VanDerWaalsContact O-CB 3.31Å; Q250-A254 WeakPolarHBondContact O-CB 3.26Å; Q250-A254 PolarHBondContact O-N 3.12Å
251L75Confident70.3Confident110 Ų110105.8 Ų105.858%0.57656%0.561SS**Hα-helixtrans-68.5-41.5178.7-129.1138.1000111.8E247 D248 E249 A254 L255E247-L251 WeakPolarHBondContact O-CB 3.31Å; E247-L251 PolarHBondContact O-N 3.33Å; D248-L251 PolarHBondContact O-N 3.19Å; E249-L251 VanDerWaalsContact C-N 3.3Å; E249-L251 PolarHBondContact O-N 3.03Å; L251-A254 PolarHBondContact O-N 3.22Å; L251-L255 WeakPolarHBondContact O-CB 3.5Å; L251-L255 PolarHBondContact O-N 2.9Å
252L75.8Confident72.2Confident114 Ų114100.2 Ų100.260%0.59754%0.539SS*.Hα-helixtrans-60.9-44.3172.8-106.7153.4000111.7D248 E249 L255 Q256D248-L252 PolarHBondContact O-N 3.39Å; E249-L252 PolarHBondContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 3.05Å; L252-Q256 WeakPolarHBondContact O-CB 3.46Å; L252-Q256 PolarHBondContact O-N 2.99Å
253I80.6Confident73.8Confident97 Ų97102.2 Ų102.250%0.49753%0.534SS..Hα-helixtrans-64.4-43.4176.4-67.6164.7000110.8E249 Q250 L255 Q256 L257E249-I253 WeakPolarHBondContact O-CB 3.39Å; E249-I253 WeakPolarHBondContact O-CD1 3.35Å; E249-I253 WeakPolarHBondContact O-CG1 3.31Å; E249-I253 PolarHBondContact O-N 3.24Å; Q250-I253 PolarHBondContact O-N 3.01Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 3.32Å; I253-Q256 PolarHBondContact O-N 3.3Å; I253-L257 HydrophobicContact CG2-CD1 3.89Å; I253-L257 HydrophobicContact CG2-CG 4.44Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 WeakPolarHBondContact O-CG 3.44Å; I253-L257 PolarHBondContact O-N 3.41Å
254A83Confident75.5Confident50 Ų50103.1 Ų103.141%0.41352%0.523SS..Hα-helixtrans-63.1-38.6178.700000112.4Q250 L251 S258Q250-A254 VanDerWaalsContact O-CB 3.31Å; Q250-A254 WeakPolarHBondContact O-CB 3.26Å; Q250-A254 PolarHBondContact O-N 3.12Å; L251-A254 PolarHBondContact O-N 3.22Å; A254-S258 WeakPolarHBondContact O-CB 3.13Å; A254-S258 PolarHBondContact O-N 3.28Å; A254-S258 PolarHBondContact O-OG 3.35Å
255L80.8Confident76.8Confident107 Ų107102.8 Ų102.856%0.5652%0.521SS*.Hα-helixtrans-69.8-40178-142.1130.9000111.2L251 L252 I253 S258 L259L251-L255 WeakPolarHBondContact O-CB 3.5Å; L251-L255 PolarHBondContact O-N 2.9Å; L252-L255 PolarHBondContact O-N 3.05Å; I253-L255 VanDerWaalsContact C-N 3.33Å; I253-L255 PolarHBondContact O-N 3.32Å; L255-S258 PolarHBondContact O-N 3.25Å; L255-L259 HydrophobicContact CD2-CD1 4.35Å; L255-L259 WeakPolarHBondContact O-CG 3.1Å; L255-L259 PolarHBondContact O-N 3.47Å
256Q84.1Confident77.2Confident125 Ų125104.5 Ų104.558%0.58453%0.527SS*.Hα-helixtrans-65.4-42.8176.2-166.9171.1-9.400111.8L252 I253 S258 L259 D260L252-Q256 WeakPolarHBondContact O-CB 3.46Å; L252-Q256 PolarHBondContact O-N 2.99Å; I253-Q256 PolarHBondContact O-N 3.3Å; Q256-S258 VanDerWaalsContact C-N 3.33Å; Q256-S258 PolarHBondContact O-N 2.87Å; Q256-L259 PolarHBondContact O-N 2.71Å; Q256-D260 PolarHBondContact O-N 3.3Å
257L82.8Confident77.6Confident91 Ų91102.3 Ų102.348%0.47652%0.516SS..Hα-helixtrans-60.9-41174.1-75.2166.8000112I253 D260 E261I253-L257 HydrophobicContact CG2-CD1 3.89Å; I253-L257 HydrophobicContact CG2-CG 4.44Å; I253-L257 WeakPolarHBondContact O-CB 3.29Å; I253-L257 WeakPolarHBondContact O-CG 3.44Å; I253-L257 PolarHBondContact O-N 3.41Å; L257-D260 PolarHBondContact O-N 2.49Å; L257-E261 WeakPolarHBondContact O-CG 3.22Å; L257-E261 PolarHBondContact O-N 3.4Å
258S82Confident77.7Confident70 Ų70102.2 Ų102.249%0.4952%0.516SS..Hα-helixtrans-66-38.6178.8-60.50000112.4A254 L255 Q256 E261 A262A254-S258 WeakPolarHBondContact O-CB 3.13Å; A254-S258 PolarHBondContact O-N 3.28Å; A254-S258 PolarHBondContact O-OG 3.35Å; L255-S258 PolarHBondContact O-N 3.25Å; Q256-S258 VanDerWaalsContact C-N 3.33Å; Q256-S258 PolarHBondContact O-N 2.87Å; S258-E261 PolarHBondContact O-N 3.29Å; S258-A262 WeakPolarHBondContact O-CB 3.47Å; S258-A262 PolarHBondContact O-N 3.4Å
259L85Confident77.3Confident107 Ų107102.5 Ų102.556%0.5652%0.523SS*.Hα-helixtrans-66.8-40174.8-73.4173.6000111.7L255 Q256 A262 R263L255-L259 HydrophobicContact CD2-CD1 4.35Å; L255-L259 WeakPolarHBondContact O-CG 3.1Å; L255-L259 PolarHBondContact O-N 3.47Å; Q256-L259 PolarHBondContact O-N 2.71Å; L259-A262 PolarHBondContact O-N 3.46Å; L259-R263 WeakPolarHBondContact O-CG 3.37Å; L259-R263 PolarHBondContact O-N 3.43Å
260D80.3Confident76.8Confident70 Ų7098.8 Ų98.837%0.37451%0.513SS..Hα-helixtrans-70-33.6176.1-81.4-21.5000112.7Q256 L257 R264Q256-D260 PolarHBondContact O-N 3.3Å; L257-D260 PolarHBondContact O-N 2.49Å; D260-R264 WeakPolarHBondContact O-CG 3.4Å; D260-R264 PolarHBondContact O-N 2.9Å; D260-R264 PolarHBondContact O-NE 3.45Å
261E80.3Confident76Confident106 Ų106100 Ų10050%0.49552%0.516SS..Hα-helixtrans-66.9-42.8170.7-77.5-176.8-179.100112L257 S258 R263 R264 N265L257-E261 WeakPolarHBondContact O-CG 3.22Å; L257-E261 PolarHBondContact O-N 3.4Å; S258-E261 PolarHBondContact O-N 3.29Å; E261-R263 VanDerWaalsContact C-N 3.32Å; E261-R263 PolarHBondContact O-N 3.09Å; E261-R264 PolarHBondContact O-N 3.35Å; E261-N265 PolarHBondContact O-N 3.12Å
262A77.3Confident75Confident46 Ų46102.7 Ų102.738%0.3852%0.524SS..Hα-helixtrans-60.7-42.4174.700000111.4S258 L259 N265 I266S258-A262 WeakPolarHBondContact O-CB 3.47Å; S258-A262 PolarHBondContact O-N 3.4Å; L259-A262 PolarHBondContact O-N 3.46Å; A262-N265 PolarHBondContact O-N 2.98Å; A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.3Å; A262-I266 PolarHBondContact O-N 3.34Å
263R76.7Confident74Confident157 Ų157102.3 Ų102.359%0.59253%0.526SS*.Hα-helixtrans-62.4-43.2174.3-75.4-179.175.8-1704.5112L259 E261 I266 E267L259-R263 WeakPolarHBondContact O-CG 3.37Å; L259-R263 PolarHBondContact O-N 3.43Å; E261-R263 VanDerWaalsContact C-N 3.32Å; E261-R263 PolarHBondContact O-N 3.09Å; R263-I266 PolarHBondContact O-N 3.33Å; R263-E267 WeakPolarHBondContact O-CG 3.44Å; R263-E267 PolarHBondContact O-N 3.48Å
264R78.1Confident72.4Confident132 Ų132105.5 Ų105.550%0.49854%0.536SS..Hα-helixtrans-61.4-43.3176.2-79.7-177.6-87.6154.8-6.9112.3D260 E261 I266 E267 E268D260-R264 WeakPolarHBondContact O-CG 3.4Å; D260-R264 PolarHBondContact O-N 2.9Å; D260-R264 PolarHBondContact O-NE 3.45Å; E261-R264 PolarHBondContact O-N 3.35Å; R264-I266 VanDerWaalsContact C-N 3.35Å; R264-I266 PolarHBondContact O-N 3.17Å; R264-E267 PolarHBondContact O-N 3.34Å; R264-E268 PolarHBondContact O-N 3.27Å
265N73.2Confident70.7Confident98 Ų98107.7 Ų107.752%0.52455%0.548SS..Hα-helixtrans-64.4-37.9176.4-76.8-15.4000112.6E261 A262 S269E261-N265 PolarHBondContact O-N 3.12Å; A262-N265 PolarHBondContact O-N 2.98Å; N265-S269 WeakPolarHBondContact O-CB 3.49Å; N265-S269 PolarHBondContact O-N 2.79Å; N265-S269 PolarHBondContact O-OG 3.35Å
266I71.8Confident68.4Low118 Ų118105.4 Ų105.461%0.60555%0.551SS**Hα-helixtrans-65.2-43.2173.8-68.3165.7000110.3A262 R263 R264 S269 A270A262-I266 VanDerWaalsContact O-CG1 3.27Å; A262-I266 WeakPolarHBondContact O-CG1 3.3Å; A262-I266 PolarHBondContact O-N 3.34Å; R263-I266 PolarHBondContact O-N 3.33Å; R264-I266 VanDerWaalsContact C-N 3.35Å; R264-I266 PolarHBondContact O-N 3.17Å; I266-S269 PolarHBondContact O-N 3.09Å; I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.41Å
267E72.1Confident66Low105 Ų105104.3 Ų104.349%0.49155%0.549SS..Hα-helixtrans-67-38.3177.6-75.5-175.9-175.400113.1R263 R264 A270 K271R263-E267 WeakPolarHBondContact O-CG 3.44Å; R263-E267 PolarHBondContact O-N 3.48Å; R264-E267 PolarHBondContact O-N 3.34Å; E267-A270 PolarHBondContact O-N 3.4Å; E267-K271 WeakPolarHBondContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.25Å; E267-K271 PolarHBondContact O-N 3.46Å
268E72.3Confident63.3Low134 Ų134109.3 Ų109.363%0.62657%0.567SS**Hα-helixtrans-65.7-41.9173.1-78.6-168.6170.700111.7R264 A270 K271 K272R264-E268 PolarHBondContact O-N 3.27Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 3.33Å; E268-K271 PolarHBondContact O-N 2.92Å; E268-K272 WeakPolarHBondContact O-CB 3.47Å; E268-K272 PolarHBondContact O-N 2.61Å
269S61.5Low60.9Low73 Ų73111.7 Ų111.751%0.5158%0.584SS.*Hα-helixtrans-61.3-42.6173.1-580000110.7N265 I266 K272 V273N265-S269 WeakPolarHBondContact O-CB 3.49Å; N265-S269 PolarHBondContact O-N 2.79Å; N265-S269 PolarHBondContact O-OG 3.35Å; I266-S269 PolarHBondContact O-N 3.09Å; S269-K272 PolarHBondContact O-N 3.44Å; S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.48Å; S269-V273 PolarHBondContact O-N 3.14Å
270A63.9Low58Low44 Ų44112.8 Ų112.836%0.36460%0.599SS.*Hα-helixtrans-66.2-37.117600000112.6I266 E267 E268 V273 K274I266-A270 WeakPolarHBondContact O-CB 3.33Å; I266-A270 PolarHBondContact O-N 3.41Å; E267-A270 PolarHBondContact O-N 3.4Å; E268-A270 VanDerWaalsContact C-N 3.31Å; E268-A270 PolarHBondContact O-N 3.33Å; A270-V273 PolarHBondContact O-N 2.75Å; A270-K274 WeakPolarHBondContact O-CB 2.65Å; A270-K274 WeakPolarHBondContact O-CG 3.4Å; A270-K274 PolarHBondContact O-N 3.17Å
271K59.7Low55.3Low145 Ų145115 Ų11563%0.6362%0.619SS**Hα-helixtrans-68.6-37.3173.5-79.1178.2-175.6169.90111.8E267 E268 V273 K274 S275E267-K271 WeakPolarHBondContact O-CB 3.32Å; E267-K271 WeakPolarHBondContact O-CG 3.25Å; E267-K271 PolarHBondContact O-N 3.46Å; E268-K271 PolarHBondContact O-N 2.92Å; K271-V273 VanDerWaalsContact C-N 3.34Å; K271-K274 CarbonylContact O-C 3.57Å; K271-K274 PolarHBondContact O-N 2.94Å; K271-S275 PolarHBondContact O-N 3.44Å; K271-S275 PolarHBondContact O-OG 3.45Å
272K54.2Low52.9Low168 Ų168114 Ų11473%0.7363%0.629SS**Hα-helixtrans-68.2-34.4175.5-152.1171.9-173.3178.90111.8E268 S269 S275 G276E268-K272 WeakPolarHBondContact O-CB 3.47Å; E268-K272 PolarHBondContact O-N 2.61Å; S269-K272 PolarHBondContact O-N 3.44Å; K272-S275 WeakPolarHBondContact CA-OG 3.4Å; K272-S275 PolarHBondContact O-OG 2.82Å; K272-G276 PolarHBondContact O-N 2.97Å
273V53.8Low50.4Low105 Ų105119.3 Ų119.364%0.63665%0.65SS**Hα-helixtrans-69.5-36.5170.8173.40000111.4S269 A270 K271 G276S269-V273 VanDerWaalsContact O-CG2 3.26Å; S269-V273 WeakPolarHBondContact O-CG2 3.48Å; S269-V273 PolarHBondContact O-N 3.14Å; A270-V273 PolarHBondContact O-N 2.75Å; K271-V273 VanDerWaalsContact C-N 3.34Å; V273-G276 PolarHBondContact O-N 3.44Å
274K48.5Very low48.1Very low164 Ų164122.2 Ų122.271%0.71366%0.662SS**Hα-helixtrans-76.5-29.2176.4-74.2-177.7-178.9-177.20114.1A270 K271 G276A270-K274 WeakPolarHBondContact O-CB 2.65Å; A270-K274 WeakPolarHBondContact O-CG 3.4Å; A270-K274 PolarHBondContact O-N 3.17Å; K271-K274 CarbonylContact O-C 3.57Å; K271-K274 PolarHBondContact O-N 2.94Å; K274-G276 VanDerWaalsContact C-N 3.32Å
275S46.7Very low46Very low96 Ų96128.9 Ų128.967%0.67170%0.695SS**Hα-helixtrans-78.9-1917164.30000112.5K271 K272 N277K271-S275 PolarHBondContact O-N 3.44Å; K271-S275 PolarHBondContact O-OG 3.45Å; K272-S275 WeakPolarHBondContact CA-OG 3.4Å; K272-S275 PolarHBondContact O-OG 2.82Å; S275-N277 PolarHBondContact O-N 2.78Å
276G32.3Very low44.7Very low60 Ų60130.4 Ų130.462%0.61970%0.704SS**THydrogen-bonded Turntrans-80.925168.700000114.6K272 V273 K274K272-G276 PolarHBondContact O-N 2.97Å; V273-G276 PolarHBondContact O-N 3.44Å; K274-G276 VanDerWaalsContact C-N 3.32Å
277N33Very low43.3Very low102 Ų102131.1 Ų131.155%0.54571%0.709SS.*  trans-108111.3178.1-90.6-20.4000112.5S275S275-N277 PolarHBondContact O-N 2.78Å
278F27Very low41.6Very low195 Ų195132.5 Ų132.586%0.85572%0.721SS**SBendtrans74.483.9139.9-80.4-102.1000118.5
279S30.9Very low39.8Very low121 Ų121132.4 Ų132.485%0.84673%0.727SS**  trans-172.675.8134.3179.80000111.7
280C24.4Very low38.5Very low129 Ų129136.1 Ų136.187%0.87274%0.74SS**  trans-168.770.2152.3-134.10000111.4
281C24.3Very low36.8Very low118 Ų118142.3 Ų142.380%0.79777%0.765SS**  trans-149.456.1160.8-1040000108.1
282A28.5Very low35.2Very low84 Ų84142.1 Ų142.169%0.69478%0.775SS**  trans-110.6117.2162.200000107.1
283L26.4Very low33.7Very low158 Ų158140.1 Ų140.183%0.82778%0.778SS**  trans63.4112.2155-64.5149.9000117.1
284Y27Very low32Very low217 Ų217143 Ų14385%0.85179%0.79SS**  -160.4119.8115-103.3-82.1000107.9
285F35.2Very low30.5Very low272 Ų272141.1 Ų141.1100%1.19380%0.797SS**  trans25.60164.9-74.9-90.5000120.4

Retrieved 285 of 285 residues in 255.1 ms (Link to these results)

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