A0A077ZE61_TRITR Loading...

Fumarate reductase flavoprotein subunit

AlphaFold DB , UniProt , Accession A0A077ZE61, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M55.4Low86.2Confident106 Ų10651.2 Ų51.252%0.52227%0.272SS..  0112.30-70.1-175-79.300109.3L96 F100M1-L96 HydrophobicContact CB-CD2 3.78Å; M1-L96 HydrophobicContact CE-CD2 4.23Å; M1-L96 HydrophobicContact CE-CG 4.02Å; M1-L96 HydrophobicContact CG-CD2 4.47Å; M1-L96 HydrophobicContact SD-CD1 4.23Å; M1-L96 HydrophobicContact SD-CD2 3.85Å; M1-L96 HydrophobicContact SD-CG 3.64Å; M1-F100 HydrophobicContact CE-CB 3.69Å; M1-F100 HydrophobicContact CE-CD1 4.01Å; M1-F100 HydrophobicContact CE-CG 3.82Å; M1-F100 HydrophobicContact CG-CD2 4.22Å; M1-F100 HydrophobicContact CG-CG 4.44Å; M1-F100 HydrophobicContact SD-CB 3.37Å; M1-F100 WeakPolarHBondContact SD-CB 3.23Å; M1-F100 HydrophobicContact SD-CD1 4.16Å; M1-F100 HydrophobicContact SD-CD2 3.59Å; M1-F100 VanDerWaalsContact SD-CD2 3.59Å; M1-F100 HydrophobicContact SD-CE2 4.43Å; M1-F100 HydrophobicContact SD-CG 3.43Å; M1-F100 WeakPolarHBondContact SD-CG 3.47Å
2R70.2Confident87.1Confident203 Ų20346.9 Ų46.977%0.76625%0.249SC*.  trans-100.484.6176.6-65.5177.7179.2170.6-0.5107.7I167R2-I167 WeakPolarHBondContact O-CD1 3.43Å
3S85.8Confident87.9Confident42 Ų4243.3 Ų43.329%0.29423%0.23SC..  trans-127.3142.3171.4164.50000107.9T5 V6S3-T5 PolarHBondContact O-N 3.19Å; S3-T5 PolarHBondContact OG-N 2.99Å; S3-T5 PolarHBondContact OG-OG1 3.08Å; S3-V6 WeakPolarHBondContact O-CG2 3.38Å; S3-V6 PolarHBondContact O-N 3.23Å
4H92.6Very high88.7Confident44 Ų4440.2 Ų40.220%0.20421%0.214CC..G310 helixtrans-63.5-22.6178.6-169.344000112.5V6 A7 T163 N164 G165 V168H4-V6 PolarHBondContact O-N 2.95Å; H4-A7 WeakPolarHBondContact O-CB 3.5Å; H4-A7 PolarHBondContact O-N 3.22Å; H4-T163 PolarHBondContact CE1-O 2.91Å; H4-N164 PolarHBondContact CD2-OD1 3.35Å; H4-N164 PolarHBondContact NE2-OD1 3.38Å; H4-G165 PolarHBondContact CE1-N 3.21Å; H4-G165 PolarHBondContact ND1-N 3.48Å; H4-V168 HydrophobicContact CB-CG2 3.74Å
5T93Very high89.3Confident32 Ų3239.1 Ų39.120%0.19621%0.209CC..G310 helixtrans-53-30.8176.3-55.20000113.1S3 A7 A8 G92 L356 L359S3-T5 PolarHBondContact O-N 3.19Å; S3-T5 PolarHBondContact OG-N 2.99Å; S3-T5 PolarHBondContact OG-OG1 3.08Å; T5-A7 PolarHBondContact O-N 2.79Å; T5-A8 VanDerWaalsContact O-CB 3.31Å; T5-A8 WeakPolarHBondContact O-CB 3.43Å; T5-A8 PolarHBondContact O-N 3.48Å; T5-G92 CarbonylContact O-C 3.48Å; T5-G92 VanDerWaalsContact O-CA 3.24Å; T5-G92 WeakPolarHBondContact O-CA 3.27Å; T5-L356 HydrophobicContact CG2-CD2 3.86Å; T5-L359 HydrophobicContact CG2-CD1 3.82Å
6V91.4Very high89.6Confident52 Ų5239.2 Ų39.232%0.31522%0.217SC..G310 helixtrans-63.8-23.4177.5-56.70000113.6S3 H4 A8 F93 L96S3-V6 WeakPolarHBondContact O-CG2 3.38Å; S3-V6 PolarHBondContact O-N 3.23Å; H4-V6 PolarHBondContact O-N 2.95Å; V6-A8 VanDerWaalsContact C-N 3.29Å; V6-F93 HydrophobicContact CB-CB 4.43Å; V6-F93 HydrophobicContact CB-CD2 4.49Å; V6-F93 HydrophobicContact CG1-CD2 4.5Å; V6-L96 HydrophobicContact CG1-CB 4.31Å; V6-L96 HydrophobicContact CG1-CD2 3.25Å; V6-L96 HydrophobicContact CG1-CG 4.38Å
7A91.1Very high89.9Confident37 Ų3738.1 Ų38.131%0.30621%0.21SC..G310 helixtrans-85.4-1.5177.400000112.7H4 T5 E9H4-A7 WeakPolarHBondContact O-CB 3.5Å; H4-A7 PolarHBondContact O-N 3.22Å; T5-A7 PolarHBondContact O-N 2.79Å; A7-E9 PolarHBondContact O-N 3.4Å
8A92.9Very high90.1Very high27 Ų2745.8 Ų45.822%0.22325%0.25CS..  trans-81.598.317600000110.5T5 V6 G92 L356T5-A8 VanDerWaalsContact O-CB 3.31Å; T5-A8 WeakPolarHBondContact O-CB 3.43Å; T5-A8 PolarHBondContact O-N 3.48Å; V6-A8 VanDerWaalsContact C-N 3.29Å; A8-G92 WeakPolarHBondContact O-CA 3.35Å; A8-G92 PolarHBondContact O-N 2.65Å; A8-L356 HydrophobicContact CB-CD1 3.93Å; A8-L356 HydrophobicContact CB-CD2 3.75Å; A8-L356 HydrophobicContact CB-CG 4.11Å
9E91.2Very high90.4Very high7 Ų749.1 Ų49.13%0.03326%0.264CS..  trans-83-35.7-172.5-64.7164.3171.800112.3A7 R74 D89 T91 T204 F290 I291 L294A7-E9 PolarHBondContact O-N 3.4Å; E9-R74 PolarHBondContact O-NH2 2.84Å; E9-R74 VanDerWaalsContact O-NH2 3.11Å; E9-D89 VanDerWaalsContact CA-O 3.29Å; E9-D89 WeakPolarHBondContact CA-O 3.18Å; E9-D89 HydrophobicContact CB-CB 4.34Å; E9-D89 WeakPolarHBondContact CB-O 3.39Å; E9-D89 VanDerWaalsContact CG-O 3.23Å; E9-D89 WeakPolarHBondContact CG-O 3.47Å; E9-D89 CarbonylContact O-C 3.5Å; E9-D89 WeakPolarHBondContact O-CA 3.45Å; E9-T91 PolarHBondContact O-N 3.43Å; E9-T91 PolarHBondContact O-OG1 2.77Å; E9-T204 HydrophobicContact CB-CG2 4.45Å; E9-T204 VanDerWaalsContact OE2-CB 3.22Å; E9-T204 WeakPolarHBondContact OE2-CB 2.9Å; E9-T204 PolarHBondContact OE2-N 2.86Å; E9-F290 HydrophobicContact CG-CD1 3.92Å; E9-F290 HydrophobicContact CG-CE1 4.25Å; E9-F290 WeakPolarHBondContact OE1-CD1 3.47Å; E9-F290 WeakPolarHBondContact OE1-CE1 3.35Å; E9-I291 WeakPolarHBondContact OE2-CD1 3.12Å; E9-L294 WeakPolarHBondContact OE1-CD1 3.3Å
10G88.5Confident90.7Very high9 Ų947.3 Ų47.39%0.09325%0.254CS..SBendtrans-71.7-37.8-156.600000118R74 F76 T204G10-R74 PolarHBondContact O-NE 3.02Å; G10-R74 PolarHBondContact O-NH2 3.19Å; G10-F76 VanDerWaalsContact C-CZ 3.46Å; G10-F76 VanDerWaalsContact CA-CZ 3.4Å; G10-F76 WeakPolarHBondContact O-CE2 3.45Å; G10-F76 VanDerWaalsContact O-CZ 3.29Å; G10-F76 WeakPolarHBondContact O-CZ 3.31Å; G10-T204 VanDerWaalsContact CA-OG1 3.25Å; G10-T204 WeakPolarHBondContact CA-OG1 3.48Å
11G95.7Very high91Very high4 Ų446.6 Ų46.64%0.04125%0.253CS..  trans128.7177.3179.700000114.7W85 S353G11-W85 CarbonylContact C-O 3.06Å; G11-W85 WeakPolarHBondContact CA-O 3.21Å; G11-S353 WeakPolarHBondContact O-CB 3.47Å
12S97.8Very high93.1Very high0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-123.2132.5-173.8-169.80000110.8M53 T84 W85 A357S12-M53 WeakPolarHBondContact CB-SD 3.32Å; S12-M53 WeakPolarHBondContact OG-CE 3.24Å; S12-M53 PolarHBondContact OG-SD 3.08Å; S12-T84 CarbonylContact O-C 3.46Å; S12-T84 WeakPolarHBondContact O-CA 3.18Å; S12-W85 PolarHBondContact N-O 2.86Å; S12-W85 PolarHBondContact O-N 3.43Å; S12-A357 WeakPolarHBondContact OG-CA 3.45Å; S12-A357 WeakPolarHBondContact OG-CB 3.33Å; S12-A357 PolarHBondContact OG-N 3.41Å
13A97.6Very high94.4Very high0 Ų041.9 Ų41.90%024%0.237CC..EExtended strand (participates in β ladder)trans-75.8126.5-177.900000111.6C49 M79 R83 S353 N354A13-C49 WeakPolarHBondContact O-CB 3.45Å; A13-M79 HydrophobicContact CB-CE 4.26Å; A13-R83 HydrophobicContact CB-CG 4.47Å; A13-S353 PolarHBondContact N-O 2.71Å; A13-N354 WeakPolarHBondContact CB-OD1 3.32Å
14A98Very high94.9Very high0 Ų044 Ų440%024%0.239CC..  trans-159.2135.116600000110.8A16 C49 P50 M53 R83 W85A14-A16 PolarHBondContact O-N 2.81Å; A14-C49 HydrophobicContact CB-CB 4Å; A14-P50 HydrophobicContact CB-CB 4.47Å; A14-P50 HydrophobicContact CB-CG 4.28Å; A14-M53 HydrophobicContact CB-CB 4.23Å; A14-M53 HydrophobicContact CB-CG 3.52Å; A14-R83 PolarHBondContact N-O 3.01Å; A14-R83 VanDerWaalsContact O-O 3.1Å; A14-W85 PolarHBondContact O-NE1 3.47Å
15V97.8Very high95.2Very high24 Ų2441.9 Ų41.915%0.14523%0.23CC..  trans-59.3122.3175.6179.10000109.5D20 F22 H25 P50V15-D20 HydrophobicContact CG1-CB 4.07Å; V15-F22 HydrophobicContact CB-CD1 4.25Å; V15-F22 HydrophobicContact CB-CE1 4.08Å; V15-F22 HydrophobicContact CG2-CD1 3.83Å; V15-F22 HydrophobicContact CG2-CE1 4.14Å; V15-H25 HydrophobicContact CG2-CB 3.97Å; V15-P50 HydrophobicContact CB-CG 4.46Å
16A94.3Very high95.4Very high40 Ų4041 Ų4133%0.33122%0.223SC..  trans-143.4-0.3-176.800000114.4A14 V71 V73 W85A14-A16 PolarHBondContact O-N 2.81Å; A16-V71 HydrophobicContact CB-CG1 4.02Å; A16-V73 HydrophobicContact CB-CG1 4.27Å; A16-W85 HydrophobicContact CB-CZ2 3.71Å
17Q94.7Very high95.7Very high20 Ų2041.8 Ų41.89%0.09322%0.223CC..SBendtrans-115.1142.9-177.2-55.4-160.383.900110.3H19 D20 V73 E82Q17-H19 PolarHBondContact O-N 3.45Å; Q17-H19 VanDerWaalsContact O-N 3.1Å; Q17-H19 PolarHBondContact OE1-CE1 3.04Å; Q17-D20 HydrophobicContact CB-CB 4.25Å; Q17-D20 PolarHBondContact O-N 3.15Å; Q17-V73 HydrophobicContact CG-CG2 3.97Å; Q17-E82 PolarHBondContact NE2-O 3.41Å
18D93.9Very high95.9Very high177 Ų17740.1 Ų40.195%0.94721%0.209SC*.THydrogen-bonded Turntrans-59.8-25.5-177.3-59-20.3000114.3
19H95.5Very high96.2Very high108 Ų10839 Ų3950%0.520%0.2SC..THydrogen-bonded Turntrans-95.7-1.6178.865.2-87.5000113.4Q17 I81Q17-H19 PolarHBondContact O-N 3.45Å; Q17-H19 VanDerWaalsContact O-N 3.1Å; Q17-H19 PolarHBondContact OE1-CE1 3.04Å; H19-I81 WeakPolarHBondContact O-CD1 3.36Å
20D96.9Very high96.5Very high13 Ų1338.7 Ų38.77%0.0720%0.198CC..  trans-95.4163.6171.5-16219.3000110.7V15 Q17 I81 R83V15-D20 HydrophobicContact CG1-CB 4.07Å; Q17-D20 HydrophobicContact CB-CB 4.25Å; Q17-D20 PolarHBondContact O-N 3.15Å; D20-I81 HydrophobicContact CB-CB 4.28Å; D20-I81 HydrophobicContact CB-CD1 4.02Å; D20-I81 HydrophobicContact CB-CG2 3.8Å; D20-R83 IonicContact OD1-CZ 3.64Å; D20-R83 IonicContact OD1-NE 3.56Å; D20-R83 PolarHBondContact OD1-NE 3.46Å; D20-R83 IonicContact OD1-NH2 3.99Å; D20-R83 PolarHBondContact OD1-NH2 3.25Å; D20-R83 WeakPolarHBondContact OD2-CB 3.38Å; D20-R83 IonicContact OD2-CZ 3.65Å; D20-R83 IonicContact OD2-NE 3.32Å; D20-R83 PolarHBondContact OD2-NE 2.92Å; D20-R83 IonicContact OD2-NH2 2.74Å
21S97.7Very high96.8Very high33 Ų3338.8 Ų38.823%0.23120%0.198CC..  trans-152.3160.5-179.273.20000112E23 Y24 H25S21-E23 PolarHBondContact O-N 3.35Å; S21-E23 PolarHBondContact OG-N 2.92Å; S21-Y24 PolarHBondContact O-N 2.91Å; S21-Y24 VanDerWaalsContact OG-CD2 3.24Å; S21-Y24 WeakPolarHBondContact OG-CD2 3.2Å; S21-Y24 PolarHBondContact OG-N 2.92Å; S21-Y24 VanDerWaalsContact OG-N 3.09Å; S21-H25 PolarHBondContact O-N 3.28Å
22F98.1Very high96.8Very high73 Ų7338.7 Ų38.732%0.3220%0.197SC..Hα-helixtrans-59.7-37171.8-61.3-49.2000111.9V15 Y24 H25 F26 V46 H47 P50V15-F22 HydrophobicContact CB-CD1 4.25Å; V15-F22 HydrophobicContact CB-CE1 4.08Å; V15-F22 HydrophobicContact CG2-CD1 3.83Å; V15-F22 HydrophobicContact CG2-CE1 4.14Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 3.38Å; F22-H25 PolarHBondContact O-N 3.25Å; F22-F26 WeakPolarHBondContact O-CB 3.38Å; F22-F26 PolarHBondContact O-N 3.03Å; F22-V46 HydrophobicContact CB-CG2 4.19Å; F22-V46 VanDerWaalsContact CD1-O 3.31Å; F22-V46 WeakPolarHBondContact CD1-O 3.32Å; F22-V46 VanDerWaalsContact CE1-O 3.3Å; F22-V46 WeakPolarHBondContact CE1-O 3.36Å; F22-H47 AromaticContact CD2-CD2 3.34Å; F22-H47 WeakPolarHBondContact CD2-CD2 3.42Å; F22-H47 AromaticContact CD2-NE2 3.48Å; F22-H47 WeakPolarHBondContact CD2-NE2 3.47Å; F22-H47 AromaticContact CE2-CD2 3.73Å; F22-H47 AromaticContact CG-CD2 3.68Å; F22-H47 AromaticContact CG-NE2 3.72Å; F22-P50 HydrophobicContact CE1-CG 3.75Å; F22-P50 HydrophobicContact CZ-CG 4.22Å
23E97.7Very high96.8Very high137 Ų13738.7 Ų38.764%0.6420%0.197SC*.Hα-helixtrans-60.4-42.8175.4-172.5-174.8174.100111.7S21 H27S21-E23 PolarHBondContact O-N 3.35Å; S21-E23 PolarHBondContact OG-N 2.92Å; E23-H27 VanDerWaalsContact O-CB 3.3Å; E23-H27 WeakPolarHBondContact O-CB 3.26Å; E23-H27 PolarHBondContact O-N 2.99Å
24Y96.8Very high96.7Very high86 Ų8639.3 Ų39.334%0.33720%0.2SC..Hα-helixtrans-69.6-38.5176.8-65.5-32.6000112.6S21 F22 D28 K80 I81S21-Y24 PolarHBondContact O-N 2.91Å; S21-Y24 VanDerWaalsContact OG-CD2 3.24Å; S21-Y24 WeakPolarHBondContact OG-CD2 3.2Å; S21-Y24 PolarHBondContact OG-N 2.92Å; S21-Y24 VanDerWaalsContact OG-N 3.09Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-Y24 PolarHBondContact O-N 3.38Å; Y24-D28 WeakPolarHBondContact O-CB 3.27Å; Y24-D28 VanDerWaalsContact O-CG 3.23Å; Y24-D28 PolarHBondContact O-N 3.42Å; Y24-K80 HydrophobicContact CD1-CD 4.26Å; Y24-I81 HydrophobicContact CD2-CD1 3.6Å; Y24-I81 HydrophobicContact CE2-CD1 4.05Å; Y24-I81 HydrophobicContact CG-CD1 4.46Å
25H98Very high96.7Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-67-41.7175.2-168.5-177.5000111.8V15 S21 F22 D28 T29 F45 V46 R83 N354V15-H25 HydrophobicContact CG2-CB 3.97Å; S21-H25 PolarHBondContact O-N 3.28Å; F22-H25 PolarHBondContact O-N 3.25Å; H25-D28 PolarHBondContact O-N 3.35Å; H25-T29 WeakPolarHBondContact O-CB 3.46Å; H25-T29 PolarHBondContact O-N 3.11Å; H25-T29 PolarHBondContact O-OG1 2.88Å; H25-F45 AromaticContact NE2-CE1 3.93Å; H25-V46 HydrophobicContact CB-CB 4.26Å; H25-V46 HydrophobicContact CB-CG1 3.95Å; H25-R83 VanDerWaalsContact CG-CD 3.46Å; H25-N354 PolarHBondContact NE2-OD1 3.1Å; H25-N354 VanDerWaalsContact NE2-OD1 3.08Å
26F98.3Very high96.7Very high14 Ų1438.4 Ų38.46%0.06120%0.195CC..Hα-helixtrans-57.7-53.4173.4175.2-87.6000110.5F22 D28 T29 V30 Q39 V42 D43 V46 L533F22-F26 WeakPolarHBondContact O-CB 3.38Å; F22-F26 PolarHBondContact O-N 3.03Å; F26-D28 PolarHBondContact O-N 3.47Å; F26-T29 PolarHBondContact O-N 2.88Å; F26-T29 VanDerWaalsContact O-N 3.12Å; F26-V30 HydrophobicContact CD1-CG2 4.21Å; F26-V30 HydrophobicContact CE1-CG2 3.85Å; F26-V30 HydrophobicContact CE2-CG2 4.19Å; F26-V30 HydrophobicContact CZ-CG2 3.84Å; F26-V30 WeakPolarHBondContact O-CG2 3.4Å; F26-V30 PolarHBondContact O-N 3.41Å; F26-Q39 HydrophobicContact CE2-CB 4.16Å; F26-Q39 VanDerWaalsContact CE2-O 3.31Å; F26-Q39 WeakPolarHBondContact CE2-O 3.49Å; F26-Q39 HydrophobicContact CZ-CB 3.9Å; F26-Q39 HydrophobicContact CZ-CG 4.11Å; F26-V42 HydrophobicContact CD2-CB 4.03Å; F26-V42 HydrophobicContact CD2-CG1 3.61Å; F26-V42 HydrophobicContact CE2-CB 4.07Å; F26-V42 HydrophobicContact CE2-CG1 4.11Å; F26-V42 HydrophobicContact CG-CG1 4.23Å; F26-D43 HydrophobicContact CD2-CB 4.27Å; F26-D43 HydrophobicContact CE2-CB 4.17Å; F26-V46 HydrophobicContact CB-CG2 4.3Å; F26-L533 HydrophobicContact CE1-CB 4.05Å
27H97Very high96.9Very high69 Ų6936.5 Ų36.532%0.31918%0.179SC..Hα-helixtrans-60.1-46.1-179.3-178-67.8000111.8E23 T29 V30 A31E23-H27 VanDerWaalsContact O-CB 3.3Å; E23-H27 WeakPolarHBondContact O-CB 3.26Å; E23-H27 PolarHBondContact O-N 2.99Å; H27-T29 VanDerWaalsContact C-N 3.26Å; H27-T29 PolarHBondContact O-N 2.65Å; H27-V30 PolarHBondContact O-N 2.72Å; H27-A31 WeakPolarHBondContact O-CB 3.41Å; H27-A31 PolarHBondContact O-N 2.81Å
28D96.2Very high97Very high2 Ų236.9 Ų36.91%0.01118%0.181CC..Hα-helixtrans-62.4-34.9178-72.6-28.4000112Y24 H25 F26 G32 K80 R83 K240 L351Y24-D28 WeakPolarHBondContact O-CB 3.27Å; Y24-D28 VanDerWaalsContact O-CG 3.23Å; Y24-D28 PolarHBondContact O-N 3.42Å; H25-D28 PolarHBondContact O-N 3.35Å; F26-D28 PolarHBondContact O-N 3.47Å; D28-G32 WeakPolarHBondContact O-CA 3.35Å; D28-G32 PolarHBondContact O-N 3.03Å; D28-K80 VanDerWaalsContact CG-N 3.32Å; D28-K80 WeakPolarHBondContact OD1-CB 3.26Å; D28-K80 PolarHBondContact OD1-N 3.25Å; D28-K80 WeakPolarHBondContact OD2-CB 3.46Å; D28-K80 PolarHBondContact OD2-N 3.03Å; D28-R83 IonicContact OD2-CZ 3.62Å; D28-R83 IonicContact OD2-NH1 3.05Å; D28-R83 PolarHBondContact OD2-NH1 3.2Å; D28-R83 IonicContact OD2-NH2 3.45Å; D28-R83 PolarHBondContact OD2-NH2 3.32Å; D28-R83 VanDerWaalsContact OD2-NH2 3.14Å; D28-K240 WeakPolarHBondContact OD1-CE 3.26Å; D28-K240 IonicContact OD1-NZ 2.66Å; D28-K240 PolarHBondContact OD1-NZ 3.46Å; D28-L351 HydrophobicContact CB-CD2 3.88Å
29T97.8Very high97.3Very high3 Ų328.5 Ų28.52%0.01814%0.136CC..Hα-helixtrans-70.4-51.5177.7-59.30000111H25 F26 H27 G32 G33 V42 L345 N354H25-T29 WeakPolarHBondContact O-CB 3.46Å; H25-T29 PolarHBondContact O-N 3.11Å; H25-T29 PolarHBondContact O-OG1 2.88Å; F26-T29 PolarHBondContact O-N 2.88Å; F26-T29 VanDerWaalsContact O-N 3.12Å; H27-T29 VanDerWaalsContact C-N 3.26Å; H27-T29 PolarHBondContact O-N 2.65Å; T29-G32 PolarHBondContact O-N 2.83Å; T29-G33 PolarHBondContact O-N 3.44Å; T29-V42 HydrophobicContact CG2-CG1 3.69Å; T29-V42 HydrophobicContact CG2-CG2 3.98Å; T29-L345 HydrophobicContact CG2-CD1 4.05Å; T29-N354 VanDerWaalsContact CG2-ND2 3.32Å; T29-N354 WeakPolarHBondContact CG2-ND2 3.16Å; T29-N354 PolarHBondContact OG1-ND2 3.09Å
30V97.8Very high97.4Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-63-45.9179.9176.50000111.7F26 H27 G32 G33 D34 W35 C37 Q39 V42 L533F26-V30 HydrophobicContact CD1-CG2 4.21Å; F26-V30 HydrophobicContact CE1-CG2 3.85Å; F26-V30 HydrophobicContact CE2-CG2 4.19Å; F26-V30 HydrophobicContact CZ-CG2 3.84Å; F26-V30 WeakPolarHBondContact O-CG2 3.4Å; F26-V30 PolarHBondContact O-N 3.41Å; H27-V30 PolarHBondContact O-N 2.72Å; V30-G32 VanDerWaalsContact C-N 3.32Å; V30-G32 PolarHBondContact O-N 2.65Å; V30-G33 CarbonylContact O-C 3.43Å; V30-G33 PolarHBondContact O-N 2.68Å; V30-D34 PolarHBondContact O-N 3.13Å; V30-W35 HydrophobicContact CG1-CG 4.08Å; V30-W35 PolarHBondContact O-N 2.93Å; V30-C37 HydrophobicContact CG2-CB 4.48Å; V30-Q39 HydrophobicContact CG1-CG 4.46Å; V30-Q39 HydrophobicContact CG2-CG 4.07Å; V30-V42 HydrophobicContact CG2-CB 4.37Å; V30-V42 HydrophobicContact CG2-CG1 4.15Å; V30-V42 HydrophobicContact CG2-CG2 4.2Å; V30-L533 HydrophobicContact CB-CD2 4.08Å; V30-L533 HydrophobicContact CG1-CB 4.38Å; V30-L533 HydrophobicContact CG1-CD2 3.92Å
31A95.8Very high97.5Very high11 Ų1124.6 Ų24.69%0.09112%0.119CC..Hα-helixtrans-68.6-32.8176.700000111.9H27 D34 W35 R538H27-A31 WeakPolarHBondContact O-CB 3.41Å; H27-A31 PolarHBondContact O-N 2.81Å; A31-D34 PolarHBondContact O-N 2.73Å; A31-W35 HydrophobicContact CB-CH2 3.91Å; A31-W35 HydrophobicContact CB-CZ2 4.08Å; A31-W35 HydrophobicContact CB-CZ3 4.42Å; A31-R538 WeakPolarHBondContact O-CD 3.17Å; A31-R538 PolarHBondContact O-NE 2.78Å
32G95.2Very high97.5Very high3 Ų323 Ų233%0.03111%0.108CC..Hα-helixtrans-64.5-39.3174.400000113D28 T29 V30 D34 N349D28-G32 WeakPolarHBondContact O-CA 3.35Å; D28-G32 PolarHBondContact O-N 3.03Å; T29-G32 PolarHBondContact O-N 2.83Å; V30-G32 VanDerWaalsContact C-N 3.32Å; V30-G32 PolarHBondContact O-N 2.65Å; G32-D34 PolarHBondContact O-N 2.82Å; G32-N349 CarbonylContact C-O 3.58Å; G32-N349 VanDerWaalsContact C-O 3.24Å; G32-N349 WeakPolarHBondContact O-CB 3.4Å; G32-N349 PolarHBondContact O-ND2 2.8Å
33G96.9Very high97.6Very high0 Ų023.1 Ų23.10%011%0.112CC..THydrogen-bonded Turntrans-81.56.2173.900000115.4T29 V30 W35 L36 H346 A348 N349T29-G33 PolarHBondContact O-N 3.44Å; V30-G33 CarbonylContact O-C 3.43Å; V30-G33 PolarHBondContact O-N 2.68Å; G33-W35 PolarHBondContact O-N 3.4Å; G33-L36 PolarHBondContact O-N 2.98Å; G33-H346 WeakPolarHBondContact CA-O 3.27Å; G33-A348 PolarHBondContact O-N 3.48Å; G33-N349 WeakPolarHBondContact CA-O 3.42Å; G33-N349 PolarHBondContact N-O 2.99Å
34D96.4Very high97.6Very high12 Ų1220 Ų206%0.0649%0.094CC..THydrogen-bonded Turntrans54.842.4177.6-147.7-3.6000112.4V30 A31 G32 L36 A348 R489 G490 R502V30-D34 PolarHBondContact O-N 3.13Å; A31-D34 PolarHBondContact O-N 2.73Å; G32-D34 PolarHBondContact O-N 2.82Å; D34-L36 PolarHBondContact O-N 3Å; D34-L36 VanDerWaalsContact O-N 3.12Å; D34-A348 HydrophobicContact CB-CB 4.19Å; D34-R489 HydrophobicContact CB-CG 3.71Å; D34-R489 PolarHBondContact O-NH1 3.33Å; D34-R489 VanDerWaalsContact OD2-CG 3.28Å; D34-R489 WeakPolarHBondContact OD2-CG 3.49Å; D34-G490 PolarHBondContact OD2-N 2.77Å; D34-R502 WeakPolarHBondContact OD1-CD 3.32Å; D34-R502 IonicContact OD1-CZ 2.86Å; D34-R502 IonicContact OD1-NE 3.85Å; D34-R502 IonicContact OD1-NH1 3.46Å; D34-R502 PolarHBondContact OD1-NH1 3.46Å
35W97.4Very high97.7Very high6 Ų615.9 Ų15.92%0.0238%0.078CC..THydrogen-bonded Turntrans60.912.4178.4-67.8-98.4000116.3V30 A31 G33 C37 L533 P534 P535 A536 R538V30-W35 HydrophobicContact CG1-CG 4.08Å; V30-W35 PolarHBondContact O-N 2.93Å; A31-W35 HydrophobicContact CB-CH2 3.91Å; A31-W35 HydrophobicContact CB-CZ2 4.08Å; A31-W35 HydrophobicContact CB-CZ3 4.42Å; G33-W35 PolarHBondContact O-N 3.4Å; W35-C37 PolarHBondContact O-N 3.2Å; W35-L533 VanDerWaalsContact CD1-O 3.3Å; W35-L533 HydrophobicContact CZ2-CD2 4.47Å; W35-P534 PolarHBondContact NE1-O 3.01Å; W35-P535 HydrophobicContact CB-CB 4.35Å; W35-P535 HydrophobicContact CB-CG 4.35Å; W35-P535 VanDerWaalsContact CD1-CA 3.48Å; W35-P535 HydrophobicContact CG-CB 4.29Å; W35-A536 HydrophobicContact CH2-CB 4.03Å; W35-A536 WeakPolarHBondContact CH2-O 3.44Å; W35-A536 HydrophobicContact CZ2-CB 3.61Å; W35-A536 WeakPolarHBondContact CZ3-O 3.47Å; W35-R538 HydrophobicContact CZ3-CB 4.06Å; W35-R538 HydrophobicContact CZ3-CG 4.42Å
36L97.6Very high97.7Very high0 Ų015.9 Ų15.90%08%0.078CC..  trans-91.218.7172.2-136.9174.3000111.8G33 D34 F188 G347 A348 H510 V528G33-L36 PolarHBondContact O-N 2.98Å; D34-L36 PolarHBondContact O-N 3Å; D34-L36 VanDerWaalsContact O-N 3.12Å; L36-F188 HydrophobicContact CD1-CE2 3.45Å; L36-F188 VanDerWaalsContact CD1-CE2 3.45Å; L36-F188 HydrophobicContact CD1-CZ 3.48Å; L36-F188 VanDerWaalsContact CD1-CZ 3.48Å; L36-G347 VanDerWaalsContact C-CA 3.48Å; L36-G347 WeakPolarHBondContact O-CA 3.28Å; L36-A348 HydrophobicContact CB-CB 4.29Å; L36-A348 HydrophobicContact CD1-CB 4.23Å; L36-H510 WeakPolarHBondContact CD2-CE1 3.44Å; L36-H510 WeakPolarHBondContact CD2-ND1 3.32Å; L36-H510 PolarHBondContact O-CE1 3.34Å; L36-V528 HydrophobicContact CD2-CG2 3.71Å; L36-V528 HydrophobicContact CG-CG2 4.15Å
37C98.3Very high97.8Very high0 Ų018.9 Ų18.90%09%0.093CC..SBendtrans-88.5140.4175.7-56.90000110.5V30 W35 Q39 V42 G344 L345 V528V30-C37 HydrophobicContact CG2-CB 4.48Å; W35-C37 PolarHBondContact O-N 3.2Å; C37-Q39 PolarHBondContact O-N 3.23Å; C37-Q39 VanDerWaalsContact O-N 3.17Å; C37-V42 HydrophobicContact CB-CG2 3.64Å; C37-G344 CarbonylContact C-O 3.58Å; C37-G344 VanDerWaalsContact CA-O 3.26Å; C37-G344 WeakPolarHBondContact CA-O 3.48Å; C37-L345 PolarHBondContact SG-O 3.1Å; C37-V528 WeakPolarHBondContact O-CG1 3.47Å
38E98.6Very high97.8Very high28 Ų2818.4 Ų18.413%0.1319%0.09CC..  trans-69.8105.8165.1-59.6-72.4-164.800108.1D40 V41 V42 R184 G344 H510 K529E38-D40 PolarHBondContact O-N 3.18Å; E38-V41 HydrophobicContact CB-CB 3.93Å; E38-V41 HydrophobicContact CB-CG2 3.72Å; E38-V41 WeakPolarHBondContact O-CB 3.23Å; E38-V41 PolarHBondContact O-N 3.38Å; E38-V41 VanDerWaalsContact O-N 3.11Å; E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 3.27Å; E38-R184 IonicContact OE1-NH1 2.75Å; E38-R184 PolarHBondContact OE1-NH1 3Å; E38-G344 PolarHBondContact N-O 3.32Å; E38-H510 IonicContact OE1-CD2 2.75Å; E38-H510 PolarHBondContact OE1-CD2 3.43Å; E38-H510 IonicContact OE1-NE2 3.51Å; E38-H510 PolarHBondContact OE1-NE2 3.01Å; E38-H510 VanDerWaalsContact OE1-NE2 3.1Å; E38-K529 WeakPolarHBondContact OE2-CA 3.31Å; E38-K529 WeakPolarHBondContact OE2-CB 3.28Å; E38-K529 PolarHBondContact OE2-N 2.98Å
39Q98.6Very high98Very high0 Ų018.3 Ų18.30%09%0.09CC..Hα-helixtrans-70.7-32.5-164.2-71-17115.100113.6F26 V30 C37 V41 V42 D43 K529 T531 L533F26-Q39 HydrophobicContact CE2-CB 4.16Å; F26-Q39 VanDerWaalsContact CE2-O 3.31Å; F26-Q39 WeakPolarHBondContact CE2-O 3.49Å; F26-Q39 HydrophobicContact CZ-CB 3.9Å; F26-Q39 HydrophobicContact CZ-CG 4.11Å; V30-Q39 HydrophobicContact CG1-CG 4.46Å; V30-Q39 HydrophobicContact CG2-CG 4.07Å; C37-Q39 PolarHBondContact O-N 3.23Å; C37-Q39 VanDerWaalsContact O-N 3.17Å; Q39-V41 VanDerWaalsContact C-N 3.3Å; Q39-V41 PolarHBondContact O-N 3.03Å; Q39-V42 PolarHBondContact O-N 3.31Å; Q39-D43 WeakPolarHBondContact O-CB 3.42Å; Q39-D43 PolarHBondContact O-N 3.03Å; Q39-K529 WeakPolarHBondContact CB-O 3.33Å; Q39-K529 PolarHBondContact N-O 2.78Å; Q39-T531 HydrophobicContact CB-CG2 4.43Å; Q39-T531 WeakPolarHBondContact CB-OG1 3.11Å; Q39-L533 PolarHBondContact NE2-O 3.32Å
40D98.4Very high98Very high34 Ų3419.2 Ų19.218%0.18210%0.096CC..Hα-helixtrans-64.3-34.9171.158.9-25000112.7E38 D43 Y44 Q325 K529 T531E38-D40 PolarHBondContact O-N 3.18Å; D40-D43 PolarHBondContact O-N 2.99Å; D40-Y44 PolarHBondContact O-N 3.04Å; D40-Q325 PolarHBondContact OD2-OE1 2.75Å; D40-K529 WeakPolarHBondContact OD2-CD 3.48Å; D40-K529 VanDerWaalsContact OD2-CE 3.22Å; D40-K529 WeakPolarHBondContact OD2-CE 3.34Å; D40-K529 IonicContact OD2-NZ 3.34Å; D40-K529 PolarHBondContact OD2-NZ 2.98Å; D40-T531 HydrophobicContact CB-CG2 4.38Å
41V98.7Very high98Very high6 Ų623.2 Ų23.24%0.03612%0.12CC..Hα-helixtrans-66.3-41.8172.2176.40000110.8E38 Q39 D43 F45 Q325 V343 F362E38-V41 HydrophobicContact CB-CB 3.93Å; E38-V41 HydrophobicContact CB-CG2 3.72Å; E38-V41 WeakPolarHBondContact O-CB 3.23Å; E38-V41 PolarHBondContact O-N 3.38Å; E38-V41 VanDerWaalsContact O-N 3.11Å; Q39-V41 VanDerWaalsContact C-N 3.3Å; Q39-V41 PolarHBondContact O-N 3.03Å; V41-D43 VanDerWaalsContact C-N 3.35Å; V41-F45 VanDerWaalsContact O-CB 3.23Å; V41-F45 WeakPolarHBondContact O-CB 3Å; V41-F45 PolarHBondContact O-N 2.8Å; V41-Q325 HydrophobicContact CG2-CB 4Å; V41-V343 HydrophobicContact CG1-CB 4.46Å; V41-V343 HydrophobicContact CG1-CG1 3.96Å; V41-V343 HydrophobicContact CG1-CG2 3.88Å; V41-V343 HydrophobicContact CG2-CG2 4.39Å; V41-F362 HydrophobicContact CG1-CE1 3.98Å; V41-F362 HydrophobicContact CG1-CE2 4.43Å; V41-F362 HydrophobicContact CG1-CZ 3.5Å; V41-F362 VanDerWaalsContact CG1-CZ 3.5Å
42V98.8Very high98.1Very high0 Ų023.9 Ų23.90%012%0.121CC..Hα-helixtrans-63.1-42.5174.4-179.60000110.9F26 T29 V30 C37 E38 Q39 F45 V46 L345F26-V42 HydrophobicContact CD2-CB 4.03Å; F26-V42 HydrophobicContact CD2-CG1 3.61Å; F26-V42 HydrophobicContact CE2-CB 4.07Å; F26-V42 HydrophobicContact CE2-CG1 4.11Å; F26-V42 HydrophobicContact CG-CG1 4.23Å; T29-V42 HydrophobicContact CG2-CG1 3.69Å; T29-V42 HydrophobicContact CG2-CG2 3.98Å; V30-V42 HydrophobicContact CG2-CB 4.37Å; V30-V42 HydrophobicContact CG2-CG1 4.15Å; V30-V42 HydrophobicContact CG2-CG2 4.2Å; C37-V42 HydrophobicContact CB-CG2 3.64Å; E38-V42 WeakPolarHBondContact O-CG2 3.26Å; E38-V42 PolarHBondContact O-N 3.27Å; Q39-V42 PolarHBondContact O-N 3.31Å; V42-F45 WeakPolarHBondContact O-CB 3.43Å; V42-F45 PolarHBondContact O-N 3.11Å; V42-V46 HydrophobicContact CG1-CG1 4.23Å; V42-V46 WeakPolarHBondContact O-CG1 3.21Å; V42-V46 PolarHBondContact O-N 3.33Å; V42-L345 HydrophobicContact CG2-CD1 4.25Å
43D98.7Very high98.3Very high75 Ų7523.7 Ų23.740%0.40112%0.12SC..Hα-helixtrans-60.8-49.9178.3-174.770.4000111.4F26 Q39 D40 V41 F45 V46 H47F26-D43 HydrophobicContact CD2-CB 4.27Å; F26-D43 HydrophobicContact CE2-CB 4.17Å; Q39-D43 WeakPolarHBondContact O-CB 3.42Å; Q39-D43 PolarHBondContact O-N 3.03Å; D40-D43 PolarHBondContact O-N 2.99Å; V41-D43 VanDerWaalsContact C-N 3.35Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 PolarHBondContact O-N 3.02Å; D43-V46 WeakPolarHBondContact O-CG2 3.24Å; D43-V46 PolarHBondContact O-N 3.49Å; D43-H47 PolarHBondContact O-N 2.85Å; D43-H47 PolarHBondContact O-ND1 3.28Å; D43-H47 IonicContact OD1-CE1 2.78Å; D43-H47 PolarHBondContact OD1-CE1 3.41Å; D43-H47 IonicContact OD1-ND1 3.91Å; D43-H47 PolarHBondContact OD1-ND1 3.48Å; D43-H47 IonicContact OD2-ND1 2.77Å
44Y98.7Very high98.3Very high70 Ų7026.6 Ų26.628%0.27514%0.138SC..Hα-helixtrans-55.9-48.1173.5-178.9-89.6000110.8D40 V46 H47 H48 V361 F362 L365D40-Y44 PolarHBondContact O-N 3.04Å; Y44-V46 PolarHBondContact O-N 2.98Å; Y44-H47 PolarHBondContact O-N 3.27Å; Y44-H48 AromaticContact CD1-ND1 3.89Å; Y44-H48 AromaticContact CD2-CE1 3.4Å; Y44-H48 VanDerWaalsContact CD2-CE1 3.4Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.41Å; Y44-H48 AromaticContact CD2-ND1 3.67Å; Y44-H48 HydrophobicContact CE1-CB 4.45Å; Y44-H48 AromaticContact CE1-CG 3.94Å; Y44-H48 AromaticContact CE1-ND1 3.81Å; Y44-H48 AromaticContact CE2-CE1 3.11Å; Y44-H48 WeakPolarHBondContact CE2-CE1 3.33Å; Y44-H48 AromaticContact CE2-ND1 3.6Å; Y44-H48 AromaticContact CE2-NE2 3.5Å; Y44-H48 AromaticContact CG-ND1 3.81Å; Y44-H48 AromaticContact CZ-CD2 3.82Å; Y44-H48 AromaticContact CZ-CE1 3.52Å; Y44-H48 AromaticContact CZ-CG 3.85Å; Y44-H48 AromaticContact CZ-ND1 3.66Å; Y44-H48 AromaticContact CZ-NE2 3.63Å; Y44-H48 PolarHBondContact O-N 2.9Å; Y44-H48 VanDerWaalsContact O-N 3.15Å; Y44-H48 PolarHBondContact O-ND1 2.67Å; Y44-V361 HydrophobicContact CD1-CG1 4.1Å; Y44-V361 HydrophobicContact CE1-CG1 3.78Å; Y44-F362 HydrophobicContact CD1-CE1 4.18Å; Y44-L365 HydrophobicContact CE1-CD2 4Å
45F98.8Very high98.4Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-56.8-53-178.1170.6-100000112.8H25 V41 V42 D43 H47 H48 C49 L345 N354 A357 E358 V361 F362H25-F45 AromaticContact NE2-CE1 3.93Å; V41-F45 VanDerWaalsContact O-CB 3.23Å; V41-F45 WeakPolarHBondContact O-CB 3Å; V41-F45 PolarHBondContact O-N 2.8Å; V42-F45 WeakPolarHBondContact O-CB 3.43Å; V42-F45 PolarHBondContact O-N 3.11Å; D43-F45 VanDerWaalsContact C-N 3.29Å; D43-F45 PolarHBondContact O-N 3.02Å; F45-H47 VanDerWaalsContact C-N 3.28Å; F45-H47 PolarHBondContact O-N 2.66Å; F45-H48 PolarHBondContact O-N 3.32Å; F45-C49 VanDerWaalsContact CE1-SG 3.55Å; F45-C49 WeakPolarHBondContact CE2-SG 3.43Å; F45-C49 WeakPolarHBondContact CZ-SG 3.31Å; F45-C49 PolarHBondContact O-N 3.45Å; F45-C49 PolarHBondContact O-SG 2.87Å; F45-L345 HydrophobicContact CB-CD1 3.86Å; F45-L345 HydrophobicContact CD1-CD1 3.52Å; F45-L345 HydrophobicContact CD1-CD2 4.45Å; F45-L345 HydrophobicContact CD2-CD1 4.08Å; F45-L345 HydrophobicContact CD2-CD2 3.91Å; F45-L345 HydrophobicContact CE1-CD1 4.01Å; F45-L345 HydrophobicContact CE1-CD2 4.33Å; F45-L345 HydrophobicContact CE2-CD2 3.78Å; F45-L345 HydrophobicContact CG-CD1 3.54Å; F45-L345 HydrophobicContact CG-CD2 4.23Å; F45-L345 HydrophobicContact CZ-CD1 4.46Å; F45-L345 HydrophobicContact CZ-CD2 3.99Å; F45-N354 HydrophobicContact CE1-CB 4.25Å; F45-N354 HydrophobicContact CZ-CB 3.98Å; F45-A357 HydrophobicContact CE2-CB 3.71Å; F45-A357 HydrophobicContact CZ-CB 3.62Å; F45-E358 HydrophobicContact CE2-CB 4.32Å; F45-V361 HydrophobicContact CD2-CB 4.24Å; F45-V361 HydrophobicContact CD2-CG1 4.28Å; F45-V361 HydrophobicContact CD2-CG2 4.27Å; F45-V361 HydrophobicContact CE2-CG2 4.47Å; F45-F362 HydrophobicContact CB-CE2 4.27Å; F45-F362 HydrophobicContact CB-CZ 4.08Å; F45-F362 AromaticContact CD2-CE2 3.8Å; F45-F362 HydrophobicContact CD2-CE2 3.8Å; F45-F362 HydrophobicContact CD2-CZ 4.42Å; F45-F362 HydrophobicContact CG-CE2 4.42Å
46V98.6Very high98.4Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-66.4-31.6-174.4-60.90000112.6F22 H25 F26 V42 D43 Y44 P50F22-V46 HydrophobicContact CB-CG2 4.19Å; F22-V46 VanDerWaalsContact CD1-O 3.31Å; F22-V46 WeakPolarHBondContact CD1-O 3.32Å; F22-V46 VanDerWaalsContact CE1-O 3.3Å; F22-V46 WeakPolarHBondContact CE1-O 3.36Å; H25-V46 HydrophobicContact CB-CB 4.26Å; H25-V46 HydrophobicContact CB-CG1 3.95Å; F26-V46 HydrophobicContact CB-CG2 4.3Å; V42-V46 HydrophobicContact CG1-CG1 4.23Å; V42-V46 WeakPolarHBondContact O-CG1 3.21Å; V42-V46 PolarHBondContact O-N 3.33Å; D43-V46 WeakPolarHBondContact O-CG2 3.24Å; D43-V46 PolarHBondContact O-N 3.49Å; Y44-V46 PolarHBondContact O-N 2.98Å; V46-P50 WeakPolarHBondContact O-CD 3.39Å
47H98.6Very high98.4Very high78 Ų7831.8 Ų31.836%0.36116%0.162SC..Hα-helixtrans-75.3-26.6177.5-71.697.3000113F22 D43 Y44 F45F22-H47 AromaticContact CD2-CD2 3.34Å; F22-H47 WeakPolarHBondContact CD2-CD2 3.42Å; F22-H47 AromaticContact CD2-NE2 3.48Å; F22-H47 WeakPolarHBondContact CD2-NE2 3.47Å; F22-H47 AromaticContact CE2-CD2 3.73Å; F22-H47 AromaticContact CG-CD2 3.68Å; F22-H47 AromaticContact CG-NE2 3.72Å; D43-H47 PolarHBondContact O-N 2.85Å; D43-H47 PolarHBondContact O-ND1 3.28Å; D43-H47 IonicContact OD1-CE1 2.78Å; D43-H47 PolarHBondContact OD1-CE1 3.41Å; D43-H47 IonicContact OD1-ND1 3.91Å; D43-H47 PolarHBondContact OD1-ND1 3.48Å; D43-H47 IonicContact OD2-ND1 2.77Å; Y44-H47 PolarHBondContact O-N 3.27Å; F45-H47 VanDerWaalsContact C-N 3.28Å; F45-H47 PolarHBondContact O-N 2.66Å
48H98.7Very high98.4Very high59 Ų5938 Ų3827%0.27319%0.194SC..Hα-helixtrans-93.4-20.9179.4-69.377.3000113.3Y44 F45 T51 E52 V361Y44-H48 AromaticContact CD1-ND1 3.89Å; Y44-H48 AromaticContact CD2-CE1 3.4Å; Y44-H48 VanDerWaalsContact CD2-CE1 3.4Å; Y44-H48 WeakPolarHBondContact CD2-CE1 3.41Å; Y44-H48 AromaticContact CD2-ND1 3.67Å; Y44-H48 HydrophobicContact CE1-CB 4.45Å; Y44-H48 AromaticContact CE1-CG 3.94Å; Y44-H48 AromaticContact CE1-ND1 3.81Å; Y44-H48 AromaticContact CE2-CE1 3.11Å; Y44-H48 WeakPolarHBondContact CE2-CE1 3.33Å; Y44-H48 AromaticContact CE2-ND1 3.6Å; Y44-H48 AromaticContact CE2-NE2 3.5Å; Y44-H48 AromaticContact CG-ND1 3.81Å; Y44-H48 AromaticContact CZ-CD2 3.82Å; Y44-H48 AromaticContact CZ-CE1 3.52Å; Y44-H48 AromaticContact CZ-CG 3.85Å; Y44-H48 AromaticContact CZ-ND1 3.66Å; Y44-H48 AromaticContact CZ-NE2 3.63Å; Y44-H48 PolarHBondContact O-N 2.9Å; Y44-H48 VanDerWaalsContact O-N 3.15Å; Y44-H48 PolarHBondContact O-ND1 2.67Å; F45-H48 PolarHBondContact O-N 3.32Å; H48-T51 WeakPolarHBondContact O-CB 3.4Å; H48-T51 PolarHBondContact O-N 2.88Å; H48-T51 VanDerWaalsContact O-N 3.12Å; H48-E52 PolarHBondContact O-N 3.16Å; H48-E52 VanDerWaalsContact O-N 3.09Å; H48-V361 HydrophobicContact CB-CG1 3.85Å; H48-V361 HydrophobicContact CB-CG2 4.11Å
49C98.7Very high98.3Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-49.3-51.7178.7-77.60000113.8A13 A14 F45 T51 E52 M53A13-C49 WeakPolarHBondContact O-CB 3.45Å; A14-C49 HydrophobicContact CB-CB 4Å; F45-C49 VanDerWaalsContact CE1-SG 3.55Å; F45-C49 WeakPolarHBondContact CE2-SG 3.43Å; F45-C49 WeakPolarHBondContact CZ-SG 3.31Å; F45-C49 PolarHBondContact O-N 3.45Å; F45-C49 PolarHBondContact O-SG 2.87Å; C49-T51 VanDerWaalsContact C-N 3.34Å; C49-T51 PolarHBondContact O-N 3.25Å; C49-E52 PolarHBondContact O-N 2.97Å; C49-M53 WeakPolarHBondContact O-CG 3.37Å; C49-M53 PolarHBondContact O-N 3.05Å
50P98.2Very high98.2Very high22 Ų2244.5 Ų44.514%0.14323%0.234CC..Hα-helixtrans-64.8-35.8-179.8-20.533000113.6A14 V15 F22 V46 M53 T54A14-P50 HydrophobicContact CB-CB 4.47Å; A14-P50 HydrophobicContact CB-CG 4.28Å; V15-P50 HydrophobicContact CB-CG 4.46Å; F22-P50 HydrophobicContact CE1-CG 3.75Å; F22-P50 HydrophobicContact CZ-CG 4.22Å; V46-P50 WeakPolarHBondContact O-CD 3.39Å; P50-M53 PolarHBondContact O-N 3.5Å; P50-T54 VanDerWaalsContact O-CB 3.31Å; P50-T54 WeakPolarHBondContact O-CB 3.37Å; P50-T54 PolarHBondContact O-N 3Å; P50-T54 PolarHBondContact O-OG1 3.32Å
51T98.3Very high98.2Very high84 Ų8443 Ų4352%0.51523%0.226SC..Hα-helixtrans-59.8-48.6176.7-57.90000110.3H48 C49 T54 Q55H48-T51 WeakPolarHBondContact O-CB 3.4Å; H48-T51 PolarHBondContact O-N 2.88Å; H48-T51 VanDerWaalsContact O-N 3.12Å; C49-T51 VanDerWaalsContact C-N 3.34Å; C49-T51 PolarHBondContact O-N 3.25Å; T51-T54 PolarHBondContact O-N 2.93Å; T51-Q55 WeakPolarHBondContact O-CB 3.28Å; T51-Q55 PolarHBondContact O-N 2.93Å
52E98.3Very high98.1Very high24 Ų2445.9 Ų45.911%0.11225%0.245CC..Hα-helixtrans-70.7-36.1-179-59.7-50136.300112.9H48 C49 T54 Q55 L56 V360 V361H48-E52 PolarHBondContact O-N 3.16Å; H48-E52 VanDerWaalsContact O-N 3.09Å; C49-E52 PolarHBondContact O-N 2.97Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.28Å; E52-Q55 PolarHBondContact O-N 3.31Å; E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.8Å; E52-V360 HydrophobicContact CB-CB 4.06Å; E52-V360 HydrophobicContact CB-CG2 3.54Å; E52-V360 HydrophobicContact CG-CB 4.47Å; E52-V360 HydrophobicContact CG-CG2 4.24Å; E52-V361 HydrophobicContact CB-CG2 4.37Å; E52-V361 HydrophobicContact CG-CB 4.48Å; E52-V361 HydrophobicContact CG-CG2 3.79Å
53M98.1Very high98Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-65-39.4174.2-66.9-46.4106.800111.9S12 A14 C49 P50 L56 E57 W63 W85 A357 V360S12-M53 WeakPolarHBondContact CB-SD 3.32Å; S12-M53 WeakPolarHBondContact OG-CE 3.24Å; S12-M53 PolarHBondContact OG-SD 3.08Å; A14-M53 HydrophobicContact CB-CB 4.23Å; A14-M53 HydrophobicContact CB-CG 3.52Å; C49-M53 WeakPolarHBondContact O-CG 3.37Å; C49-M53 PolarHBondContact O-N 3.05Å; P50-M53 PolarHBondContact O-N 3.5Å; M53-L56 HydrophobicContact CE-CD1 4.32Å; M53-L56 PolarHBondContact O-N 3.45Å; M53-L56 HydrophobicContact SD-CD1 4.34Å; M53-E57 PolarHBondContact O-N 2.9Å; M53-W63 PolarHBondContact O-NE1 3.33Å; M53-W63 VanDerWaalsContact O-NE1 3.11Å; M53-W63 HydrophobicContact SD-CH2 3.97Å; M53-W63 HydrophobicContact SD-CZ2 3.77Å; M53-W85 HydrophobicContact CB-CD2 4.03Å; M53-W85 HydrophobicContact CB-CE3 3.81Å; M53-W85 HydrophobicContact CB-CH2 4.23Å; M53-W85 HydrophobicContact CB-CZ2 4.38Å; M53-W85 HydrophobicContact CB-CZ3 3.96Å; M53-W85 HydrophobicContact CG-CD2 4.27Å; M53-W85 HydrophobicContact CG-CE3 4.45Å; M53-W85 HydrophobicContact CG-CG 4.43Å; M53-A357 HydrophobicContact CE-CB 4.26Å; M53-V360 HydrophobicContact CE-CG2 3.32Å
54T97.9Very high97.9Very high61 Ų6143.9 Ų43.937%0.37424%0.236SC..Hα-helixtrans-65.9-40.3174.4-55.40000110.7P50 T51 E52 L56 E57 L58P50-T54 VanDerWaalsContact O-CB 3.31Å; P50-T54 WeakPolarHBondContact O-CB 3.37Å; P50-T54 PolarHBondContact O-N 3Å; P50-T54 PolarHBondContact O-OG1 3.32Å; T51-T54 PolarHBondContact O-N 2.93Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.28Å; T54-L56 PolarHBondContact O-N 2.64Å; T54-E57 VanDerWaalsContact O-CB 3.29Å; T54-E57 WeakPolarHBondContact O-CB 3.47Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact O-N 3.15Å; T54-L58 HydrophobicContact CG2-CD1 4.46Å; T54-L58 WeakPolarHBondContact O-CG 3.34Å; T54-L58 PolarHBondContact O-N 3.11Å
55Q98.1Very high97.8Very high65 Ų6545.5 Ų45.530%0.30424%0.242SC..Hα-helixtrans-62.5-42.3176.6-176.75779.500112.1T51 E52 E57 L58 W59T51-Q55 WeakPolarHBondContact O-CB 3.28Å; T51-Q55 PolarHBondContact O-N 2.93Å; E52-Q55 PolarHBondContact O-N 3.31Å; Q55-E57 VanDerWaalsContact C-N 3.31Å; Q55-E57 PolarHBondContact O-N 3.49Å; Q55-L58 PolarHBondContact O-N 3.17Å; Q55-W59 HydrophobicContact CG-CD2 4.21Å; Q55-W59 HydrophobicContact CG-CE3 4.31Å; Q55-W59 HydrophobicContact CG-CH2 3.89Å; Q55-W59 HydrophobicContact CG-CZ2 3.79Å; Q55-W59 HydrophobicContact CG-CZ3 4.14Å; Q55-W59 VanDerWaalsContact NE2-CE2 3.27Å; Q55-W59 PolarHBondContact O-N 2.83Å
56L98.1Very high97.6Very high2 Ų249.3 Ų49.31%0.0126%0.256CS..Hα-helixtrans-61.8-39.4173.2-73.7172.7000111.9E52 M53 T54 W59 G60 C61 W63 M95 L99 V360E52-L56 WeakPolarHBondContact O-CG 3.44Å; E52-L56 PolarHBondContact O-N 2.8Å; M53-L56 HydrophobicContact CE-CD1 4.32Å; M53-L56 PolarHBondContact O-N 3.45Å; M53-L56 HydrophobicContact SD-CD1 4.34Å; T54-L56 PolarHBondContact O-N 2.64Å; L56-W59 HydrophobicContact CD2-CE3 4.16Å; L56-W59 HydrophobicContact CD2-CZ3 4.48Å; L56-W59 PolarHBondContact O-N 3.2Å; L56-G60 PolarHBondContact O-N 2.9Å; L56-C61 HydrophobicContact CB-CB 3.89Å; L56-C61 WeakPolarHBondContact O-CB 3.34Å; L56-C61 PolarHBondContact O-N 2.96Å; L56-W63 HydrophobicContact CB-CZ2 4.12Å; L56-W63 HydrophobicContact CD1-CH2 4.49Å; L56-W63 HydrophobicContact CD1-CZ2 3.84Å; L56-M95 HydrophobicContact CD1-CE 3.62Å; L56-M95 HydrophobicContact CD1-CG 4.12Å; L56-M95 HydrophobicContact CD1-SD 4.5Å; L56-L99 HydrophobicContact CD2-CD2 4.02Å; L56-L99 HydrophobicContact CD2-CG 4.06Å; L56-V360 HydrophobicContact CD1-CG1 4.1Å
57E97Very high97.4Very high60 Ų6056.3 Ų56.328%0.2830%0.302SS..Hα-helixtrans-59.8-46.8174.2-172.2175.7159.100111.6M53 T54 Q55 W59 G60 R65M53-E57 PolarHBondContact O-N 2.9Å; T54-E57 VanDerWaalsContact O-CB 3.29Å; T54-E57 WeakPolarHBondContact O-CB 3.47Å; T54-E57 PolarHBondContact O-N 3.48Å; T54-E57 VanDerWaalsContact O-N 3.15Å; Q55-E57 VanDerWaalsContact C-N 3.31Å; Q55-E57 PolarHBondContact O-N 3.49Å; E57-W59 VanDerWaalsContact C-N 3.26Å; E57-W59 PolarHBondContact O-N 3.33Å; E57-G60 WeakPolarHBondContact O-CA 3.39Å; E57-G60 PolarHBondContact O-N 3.09Å; E57-R65 VanDerWaalsContact CD-NH2 3.26Å; E57-R65 IonicContact OE1-CZ 3.32Å; E57-R65 IonicContact OE1-NH1 3.1Å; E57-R65 PolarHBondContact OE1-NH1 3.37Å; E57-R65 IonicContact OE1-NH2 2.81Å; E57-R65 PolarHBondContact OE1-NH2 2.94Å; E57-R65 IonicContact OE2-NH1 3.2Å; E57-R65 PolarHBondContact OE2-NH1 2.98Å; E57-R65 IonicContact OE2-NH2 3.48Å
58L97.6Very high97.3Very high131 Ų13158.3 Ų58.369%0.68632%0.315SS*.Hα-helixtrans-63.2-31.3178-67.8173.7000112.7T54 Q55 G60T54-L58 HydrophobicContact CG2-CD1 4.46Å; T54-L58 WeakPolarHBondContact O-CG 3.34Å; T54-L58 PolarHBondContact O-N 3.11Å; Q55-L58 PolarHBondContact O-N 3.17Å; L58-G60 VanDerWaalsContact C-N 3.25Å; L58-G60 PolarHBondContact O-N 3.31Å
59W97.9Very high97.1Very high111 Ų11157.6 Ų57.642%0.4232%0.324SS..THydrogen-bonded Turntrans-78.3-6.2171.9-69.8-21.2000114Q55 L56 E57 T98 L99 T102Q55-W59 HydrophobicContact CG-CD2 4.21Å; Q55-W59 HydrophobicContact CG-CE3 4.31Å; Q55-W59 HydrophobicContact CG-CH2 3.89Å; Q55-W59 HydrophobicContact CG-CZ2 3.79Å; Q55-W59 HydrophobicContact CG-CZ3 4.14Å; Q55-W59 VanDerWaalsContact NE2-CE2 3.27Å; Q55-W59 PolarHBondContact O-N 2.83Å; L56-W59 HydrophobicContact CD2-CE3 4.16Å; L56-W59 HydrophobicContact CD2-CZ3 4.48Å; L56-W59 PolarHBondContact O-N 3.2Å; E57-W59 VanDerWaalsContact C-N 3.26Å; E57-W59 PolarHBondContact O-N 3.33Å; W59-T98 HydrophobicContact CB-CG2 3.51Å; W59-L99 HydrophobicContact CE3-CD2 4.06Å; W59-L99 HydrophobicContact CZ3-CD2 3.58Å; W59-T102 HydrophobicContact CD2-CG2 3.87Å; W59-T102 HydrophobicContact CE3-CG2 4.31Å; W59-T102 HydrophobicContact CG-CG2 4.2Å; W59-T102 HydrophobicContact CZ2-CG2 4.14Å
60G97Very high96.9Very high52 Ų5259.7 Ų59.754%0.53634%0.338SS..THydrogen-bonded Turntrans10415.2174.600000115.2L56 E57 L58 P62L56-G60 PolarHBondContact O-N 2.9Å; E57-G60 WeakPolarHBondContact O-CA 3.39Å; E57-G60 PolarHBondContact O-N 3.09Å; L58-G60 VanDerWaalsContact C-N 3.25Å; L58-G60 PolarHBondContact O-N 3.31Å; G60-P62 VanDerWaalsContact O-CD 3.31Å; G60-P62 WeakPolarHBondContact O-CD 3.38Å
61C97.7Very high96.7Very high3 Ų359.4 Ų59.42%0.0234%0.336CS..  trans-63.1119.8172.3-171.70000109.8L56 W63 T98L56-C61 HydrophobicContact CB-CB 3.89Å; L56-C61 WeakPolarHBondContact O-CB 3.34Å; L56-C61 PolarHBondContact O-N 2.96Å; C61-W63 VanDerWaalsContact C-N 3.28Å; C61-W63 HydrophobicContact CB-CZ2 4.5Å; C61-W63 PolarHBondContact O-N 2.66Å; C61-T98 WeakPolarHBondContact CA-OG1 3.38Å; C61-T98 HydrophobicContact CB-CG2 4.12Å
62P96.5Very high96.6Very high67 Ų6756.5 Ų56.544%0.43532%0.317SS..  trans-81.468.8-171.734.2-38.5000112G60 S64 A87 H94G60-P62 VanDerWaalsContact O-CD 3.31Å; G60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-S64 PolarHBondContact O-N 3.15Å; P62-A87 VanDerWaalsContact O-CB 3.27Å; P62-A87 WeakPolarHBondContact O-CB 3.46Å; P62-H94 HydrophobicContact CG-CB 4.15Å
63W97.3Very high96.5Very high6 Ų655.9 Ų55.92%0.02332%0.315CS..  trans-56.6135.3172.3-58.7124.5000110.8M53 L56 C61 R65 V71 W85 T91 M95M53-W63 PolarHBondContact O-NE1 3.33Å; M53-W63 VanDerWaalsContact O-NE1 3.11Å; M53-W63 HydrophobicContact SD-CH2 3.97Å; M53-W63 HydrophobicContact SD-CZ2 3.77Å; L56-W63 HydrophobicContact CB-CZ2 4.12Å; L56-W63 HydrophobicContact CD1-CH2 4.49Å; L56-W63 HydrophobicContact CD1-CZ2 3.84Å; C61-W63 VanDerWaalsContact C-N 3.28Å; C61-W63 HydrophobicContact CB-CZ2 4.5Å; C61-W63 PolarHBondContact O-N 2.66Å; W63-R65 PolarHBondContact O-NE 3.17Å; W63-V71 HydrophobicContact CB-CG2 3.82Å; W63-V71 HydrophobicContact CG-CG2 4.41Å; W63-W85 AromaticContact CD1-CE3 3.77Å; W63-W85 AromaticContact CD1-CZ3 3.9Å; W63-W85 HydrophobicContact CD2-CB 4.46Å; W63-W85 HydrophobicContact CD2-CE3 4.06Å; W63-W85 HydrophobicContact CE3-CB 4.04Å; W63-W85 AromaticContact CG-CE3 3.9Å; W63-W85 HydrophobicContact CG-CE3 3.9Å; W63-W85 HydrophobicContact CG-CZ3 4.4Å; W63-W85 HydrophobicContact CZ3-CB 4.08Å; W63-W85 AromaticContact NE1-CE3 3.88Å; W63-T91 HydrophobicContact CH2-CG2 3.93Å; W63-T91 HydrophobicContact CZ3-CG2 3.44Å; W63-T91 VanDerWaalsContact CZ3-CG2 3.44Å; W63-M95 HydrophobicContact CH2-CG 3.94Å; W63-M95 HydrophobicContact CH2-SD 4Å; W63-M95 HydrophobicContact CZ2-CG 4.46Å
64S96.3Very high96.4Very high27 Ų2756.3 Ų56.319%0.18932%0.317CS..  trans-61.2141.3176-65.30000109.8P62 N72 F86 A88P62-S64 PolarHBondContact O-N 3.15Å; S64-N72 WeakPolarHBondContact O-CB 3.45Å; S64-N72 PolarHBondContact O-N 3.45Å; S64-F86 VanDerWaalsContact CB-O 3.32Å; S64-F86 WeakPolarHBondContact CB-O 3.39Å; S64-F86 PolarHBondContact N-O 2.9Å; S64-F86 PolarHBondContact OG-O 2.99Å; S64-A88 PolarHBondContact OG-N 3.49Å; S64-A88 VanDerWaalsContact OG-N 3.1Å
65R95.9Very high96.3Very high104 Ų10456.6 Ų56.639%0.39231%0.311SS..BIsolated β-bridgetrans-109.8157.3-174.6-56.6-56.5-171.71604.7112.6E57 W63 G69 S70 N72E57-R65 VanDerWaalsContact CD-NH2 3.26Å; E57-R65 IonicContact OE1-CZ 3.32Å; E57-R65 IonicContact OE1-NH1 3.1Å; E57-R65 PolarHBondContact OE1-NH1 3.37Å; E57-R65 IonicContact OE1-NH2 2.81Å; E57-R65 PolarHBondContact OE1-NH2 2.94Å; E57-R65 IonicContact OE2-NH1 3.2Å; E57-R65 PolarHBondContact OE2-NH1 2.98Å; E57-R65 IonicContact OE2-NH2 3.48Å; W63-R65 PolarHBondContact O-NE 3.17Å; R65-G69 WeakPolarHBondContact CD-O 3.31Å; R65-S70 CarbonylContact C-O 3.55Å; R65-S70 VanDerWaalsContact CA-O 3.31Å; R65-S70 WeakPolarHBondContact CA-O 3.45Å; R65-N72 PolarHBondContact O-ND2 3.09Å
66R94.6Very high96.1Very high79 Ų7953.6 Ų53.630%0.29830%0.297SS..  trans-82166161.4-68.2178.5178.6174.6-1.9109.3D68 G69 S70 N72R66-D68 VanDerWaalsContact CB-OD1 3.24Å; R66-D68 WeakPolarHBondContact CB-OD1 3.41Å; R66-D68 PolarHBondContact O-N 3.29Å; R66-D68 VanDerWaalsContact O-N 3.16Å; R66-G69 PolarHBondContact O-N 2.83Å; R66-S70 WeakPolarHBondContact CD-OG 3.24Å; R66-S70 PolarHBondContact N-O 3.48Å; R66-N72 HydrophobicContact CG-CB 4.15Å
67P94.8Very high95.8Very high148 Ų14853.6 Ų53.696%0.96130%0.297SS*.THydrogen-bonded Turntrans-57.9-25.9178.5-27.336.4000114.9G69P67-G69 VanDerWaalsContact C-N 3.26Å; P67-G69 PolarHBondContact O-N 3.02Å
68D95.3Very high95.5Very high120 Ų12050.9 Ų50.964%0.64229%0.286SS*.THydrogen-bonded Turntrans-81.7-0.6176.664.91000113.8R66 S70R66-D68 VanDerWaalsContact CB-OD1 3.24Å; R66-D68 WeakPolarHBondContact CB-OD1 3.41Å; R66-D68 PolarHBondContact O-N 3.29Å; R66-D68 VanDerWaalsContact O-N 3.16Å; D68-S70 VanDerWaalsContact C-N 3.31Å; D68-S70 VanDerWaalsContact CG-OG 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.48Å; D68-S70 PolarHBondContact OD1-N 3.28Å; D68-S70 PolarHBondContact OD1-OG 3.01Å; D68-S70 PolarHBondContact OD2-OG 3.47Å
69G94.5Very high95.3Very high44 Ų4444.7 Ų44.745%0.45425%0.253SS..SBendtrans86.2-7.3-178.600000114.7R65 R66 P67R65-G69 WeakPolarHBondContact CD-O 3.31Å; R66-G69 PolarHBondContact O-N 2.83Å; P67-G69 VanDerWaalsContact C-N 3.26Å; P67-G69 PolarHBondContact O-N 3.02Å
70S94.6Very high95.1Very high43 Ų4342.9 Ų42.930%0.30125%0.248SC..SBendtrans-69160.4173.367.70000111.3R65 R66 D68R65-S70 CarbonylContact C-O 3.55Å; R65-S70 VanDerWaalsContact CA-O 3.31Å; R65-S70 WeakPolarHBondContact CA-O 3.45Å; R66-S70 WeakPolarHBondContact CD-OG 3.24Å; R66-S70 PolarHBondContact N-O 3.48Å; D68-S70 VanDerWaalsContact C-N 3.31Å; D68-S70 VanDerWaalsContact CG-OG 3.31Å; D68-S70 WeakPolarHBondContact OD1-CB 3.48Å; D68-S70 PolarHBondContact OD1-N 3.28Å; D68-S70 PolarHBondContact OD1-OG 3.01Å; D68-S70 PolarHBondContact OD2-OG 3.47Å
71V95.7Very high95Very high17 Ų1741.1 Ų41.110%0.10323%0.226CC..BIsolated β-bridgetrans-65.9140.9179.570.40000111.6A16 W63 W85A16-V71 HydrophobicContact CB-CG1 4.02Å; W63-V71 HydrophobicContact CB-CG2 3.82Å; W63-V71 HydrophobicContact CG-CG2 4.41Å; V71-W85 HydrophobicContact CB-CD2 4.39Å; V71-W85 HydrophobicContact CB-CE3 4.1Å; V71-W85 HydrophobicContact CB-CH2 4.12Å; V71-W85 HydrophobicContact CB-CZ2 4.45Å; V71-W85 HydrophobicContact CB-CZ3 3.93Å; V71-W85 HydrophobicContact CG1-CD2 4.07Å; V71-W85 HydrophobicContact CG1-CE3 4.18Å; V71-W85 HydrophobicContact CG1-CH2 3.68Å; V71-W85 HydrophobicContact CG1-CZ2 3.59Å; V71-W85 HydrophobicContact CG1-CZ3 3.97Å; V71-W85 HydrophobicContact CG2-CD2 3.64Å; V71-W85 HydrophobicContact CG2-CE3 3.31Å; V71-W85 HydrophobicContact CG2-CG 4.27Å; V71-W85 HydrophobicContact CG2-CH2 4.25Å; V71-W85 HydrophobicContact CG2-CZ3 3.63Å
72N95.7Very high94.8Very high23 Ų2342.8 Ų42.812%0.12323%0.234CC..PPolyproline II helixtrans-93.5143.9176.2-150.4-14.4000110.6S64 R65 R66 F86 R287S64-N72 WeakPolarHBondContact O-CB 3.45Å; S64-N72 PolarHBondContact O-N 3.45Å; R65-N72 PolarHBondContact O-ND2 3.09Å; R66-N72 HydrophobicContact CG-CB 4.15Å; N72-F86 HydrophobicContact CB-CE1 3.95Å; N72-F86 HydrophobicContact CB-CZ 4.08Å; N72-R287 PolarHBondContact ND2-NH1 3.32Å
73V96Very high94.9Very high11 Ų1139.6 Ų39.67%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-130.2152.9178.2-65.40000110.2A16 Q17 E82 T84 W85A16-V73 HydrophobicContact CB-CG1 4.27Å; Q17-V73 HydrophobicContact CG-CG2 3.97Å; V73-E82 HydrophobicContact CG2-CG 4.24Å; V73-E82 WeakPolarHBondContact CG2-O 3.16Å; V73-T84 CarbonylContact C-O 3.58Å; V73-T84 VanDerWaalsContact CA-O 3.23Å; V73-T84 WeakPolarHBondContact CA-O 3.31Å; V73-W85 HydrophobicContact CG1-CG 4.31Å
74R95.4Very high94.9Very high8 Ų839.3 Ų39.33%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-130.9162.4179.163.2179.8164.6-158.5-7.6113.4E9 G10 F76 E82 T84 F86 A88E9-R74 PolarHBondContact O-NH2 2.84Å; E9-R74 VanDerWaalsContact O-NH2 3.11Å; G10-R74 PolarHBondContact O-NE 3.02Å; G10-R74 PolarHBondContact O-NH2 3.19Å; R74-F76 HydrophobicContact CG-CD2 4.29Å; R74-F76 HydrophobicContact CG-CE2 4.08Å; R74-E82 VanDerWaalsContact C-CB 3.49Å; R74-E82 WeakPolarHBondContact O-CB 3.48Å; R74-T84 HydrophobicContact CG-CG2 4.36Å; R74-T84 PolarHBondContact N-O 3.11Å; R74-T84 VanDerWaalsContact O-CB 3.31Å; R74-T84 WeakPolarHBondContact O-CB 3.19Å; R74-T84 PolarHBondContact O-N 3.4Å; R74-F86 HydrophobicContact CB-CD1 4.17Å; R74-F86 HydrophobicContact CB-CE1 3.9Å; R74-F86 HydrophobicContact CB-CZ 4.47Å; R74-F86 HydrophobicContact CG-CD1 3.74Å; R74-F86 HydrophobicContact CG-CE1 3.99Å; R74-F86 HydrophobicContact CG-CG 4.26Å; R74-F86 VanDerWaalsContact CZ-CB 3.43Å; R74-A88 PolarHBondContact NH1-O 3.18Å; R74-A88 PolarHBondContact NH2-O 3.29Å
75R95.5Very high94.9Very high67 Ų6738.7 Ų38.725%0.25321%0.205SC..  trans-72134.6-178.8-57.9-176.2-179.1-62.2-10.5110.9E82 G209 P237 N239 L244R75-E82 HydrophobicContact CB-CB 4.44Å; R75-E82 HydrophobicContact CG-CB 3.98Å; R75-E82 HydrophobicContact CG-CG 4.43Å; R75-E82 IonicContact CZ-OE2 2.74Å; R75-E82 IonicContact NH1-OE1 3.77Å; R75-E82 IonicContact NH1-OE2 2.64Å; R75-E82 PolarHBondContact NH1-OE2 3.37Å; R75-E82 IonicContact NH2-OE1 2.89Å; R75-E82 IonicContact NH2-OE2 3.17Å; R75-G209 VanDerWaalsContact O-CA 3.24Å; R75-G209 WeakPolarHBondContact O-CA 3.39Å; R75-P237 PolarHBondContact NE-O 2.94Å; R75-N239 WeakPolarHBondContact CD-OD1 3.31Å; R75-N239 WeakPolarHBondContact CG-OD1 3.33Å; R75-N239 PolarHBondContact NH1-ND2 3.08Å; R75-N239 PolarHBondContact NH1-OD1 2.64Å; R75-L244 HydrophobicContact CB-CD1 3.75Å; R75-L244 HydrophobicContact CB-CD2 4.04Å; R75-L244 VanDerWaalsContact CD-CD1 3.47Å; R75-L244 HydrophobicContact CG-CD1 4.2Å
76F94.5Very high95Very high3 Ų333.8 Ų33.81%0.01319%0.187CC..  trans-128.5154170.8-96.5-120000109.3G10 R74 M79 T84 E205G10-F76 VanDerWaalsContact C-CZ 3.46Å; G10-F76 VanDerWaalsContact CA-CZ 3.4Å; G10-F76 WeakPolarHBondContact O-CE2 3.45Å; G10-F76 VanDerWaalsContact O-CZ 3.29Å; G10-F76 WeakPolarHBondContact O-CZ 3.31Å; R74-F76 HydrophobicContact CG-CD2 4.29Å; R74-F76 HydrophobicContact CG-CE2 4.08Å; F76-M79 HydrophobicContact CB-CE 3.95Å; F76-M79 HydrophobicContact CB-CG 4.4Å; F76-M79 HydrophobicContact CB-SD 3.83Å; F76-M79 PolarHBondContact O-N 2.97Å; F76-T84 HydrophobicContact CD2-CG2 3.64Å; F76-T84 WeakPolarHBondContact CD2-OG1 3.45Å; F76-T84 HydrophobicContact CE2-CG2 3.73Å; F76-T84 HydrophobicContact CG-CG2 4.17Å; F76-T84 WeakPolarHBondContact CG-OG1 3.44Å; F76-T84 HydrophobicContact CZ-CG2 4.26Å; F76-E205 HydrophobicContact CD1-CB 4.08Å; F76-E205 HydrophobicContact CD1-CG 3.78Å; F76-E205 VanDerWaalsContact CD1-OE2 3.29Å; F76-E205 WeakPolarHBondContact CD1-OE2 3.15Å; F76-E205 HydrophobicContact CE1-CB 3.64Å; F76-E205 HydrophobicContact CE1-CG 3.88Å; F76-E205 HydrophobicContact CG-CG 4.12Å; F76-E205 HydrophobicContact CZ-CB 3.88Å; F76-E205 HydrophobicContact CZ-CG 4.22Å
77G92.3Very high95Very high2 Ų230.1 Ų30.12%0.02117%0.174CC..THydrogen-bonded Turntrans-62.1138.2-17400000112.7M79 E205 L244 G245G77-M79 VanDerWaalsContact C-N 3.29Å; G77-M79 PolarHBondContact O-N 3.44Å; G77-E205 WeakPolarHBondContact CA-OE1 3.33Å; G77-E205 PolarHBondContact N-OE1 3.43Å; G77-L244 WeakPolarHBondContact CA-O 3.48Å; G77-G245 WeakPolarHBondContact CA-O 3.27Å
78G91.4Very high94.9Very high3 Ų324.2 Ų24.23%0.03114%0.138CC..THydrogen-bonded Turntrans82.5-8178.400000115.7K240 L244G78-K240 WeakPolarHBondContact O-CE 3.34Å; G78-L244 PolarHBondContact N-O 3.23Å
79M93.4Very high94.7Very high0 Ų018.5 Ų18.50%011%0.107CC..  trans-80.3142.6178.3-60.7-173168.300112.2A13 F76 G77 R83 N239 L351 G352 S353A13-M79 HydrophobicContact CB-CE 4.26Å; F76-M79 HydrophobicContact CB-CE 3.95Å; F76-M79 HydrophobicContact CB-CG 4.4Å; F76-M79 HydrophobicContact CB-SD 3.83Å; F76-M79 PolarHBondContact O-N 2.97Å; G77-M79 VanDerWaalsContact C-N 3.29Å; G77-M79 PolarHBondContact O-N 3.44Å; M79-R83 HydrophobicContact CE-CG 4.18Å; M79-R83 HydrophobicContact SD-CG 3.86Å; M79-N239 WeakPolarHBondContact O-CB 3.45Å; M79-L351 HydrophobicContact CE-CD2 4.26Å; M79-L351 HydrophobicContact CE-CG 4.39Å; M79-L351 HydrophobicContact CG-CD1 4.27Å; M79-L351 HydrophobicContact CG-CD2 4.35Å; M79-L351 HydrophobicContact CG-CG 4.45Å; M79-G352 WeakPolarHBondContact CE-O 3.34Å; M79-S353 WeakPolarHBondContact CE-OG 3.49Å
80K92Very high94.7Very high74 Ų7419.7 Ų19.732%0.32210%0.099SC..SBendtrans-74.2-40.5169.7-173.6169.5-177155.70111.3Y24 D28 N239 D548Y24-K80 HydrophobicContact CD1-CD 4.26Å; D28-K80 VanDerWaalsContact CG-N 3.32Å; D28-K80 WeakPolarHBondContact OD1-CB 3.26Å; D28-K80 PolarHBondContact OD1-N 3.25Å; D28-K80 WeakPolarHBondContact OD2-CB 3.46Å; D28-K80 PolarHBondContact OD2-N 3.03Å; K80-N239 PolarHBondContact O-ND2 3.43Å; K80-D548 IonicContact NZ-OD2 2.81Å; K80-D548 PolarHBondContact NZ-OD2 3.32Å
81I94.9Very high94.8Very high15 Ų1517.6 Ų17.68%0.0779%0.085CC..SBendtrans-129.3138.5179.9-60.9166.8000109H19 D20 Y24 R83 N239H19-I81 WeakPolarHBondContact O-CD1 3.36Å; D20-I81 HydrophobicContact CB-CB 4.28Å; D20-I81 HydrophobicContact CB-CD1 4.02Å; D20-I81 HydrophobicContact CB-CG2 3.8Å; Y24-I81 HydrophobicContact CD2-CD1 3.6Å; Y24-I81 HydrophobicContact CE2-CD1 4.05Å; Y24-I81 HydrophobicContact CG-CD1 4.46Å; I81-R83 PolarHBondContact O-N 3.06Å; I81-N239 WeakPolarHBondContact CA-ND2 3.43Å
82E94.8Very high94.8Very high37 Ų3716.8 Ų16.817%0.1738%0.08CC..  trans-65.1118.2174.955.4-77-169.100111.3Q17 V73 R74 R75 N239Q17-E82 PolarHBondContact NE2-O 3.41Å; V73-E82 HydrophobicContact CG2-CG 4.24Å; V73-E82 WeakPolarHBondContact CG2-O 3.16Å; R74-E82 VanDerWaalsContact C-CB 3.49Å; R74-E82 WeakPolarHBondContact O-CB 3.48Å; R75-E82 HydrophobicContact CB-CB 4.44Å; R75-E82 HydrophobicContact CG-CB 3.98Å; R75-E82 HydrophobicContact CG-CG 4.43Å; R75-E82 IonicContact CZ-OE2 2.74Å; R75-E82 IonicContact NH1-OE1 3.77Å; R75-E82 IonicContact NH1-OE2 2.64Å; R75-E82 PolarHBondContact NH1-OE2 3.37Å; R75-E82 IonicContact NH2-OE1 2.89Å; R75-E82 IonicContact NH2-OE2 3.17Å; E82-N239 PolarHBondContact OE2-ND2 3.29Å
83R97.2Very high94.8Very high1 Ų120.4 Ų20.40%0.00410%0.095CC..  trans-137.217.2-178.768.3-179.768.3102.3-2.2113.2A13 A14 D20 H25 D28 M79 I81 W85A13-R83 HydrophobicContact CB-CG 4.47Å; A14-R83 PolarHBondContact N-O 3.01Å; A14-R83 VanDerWaalsContact O-O 3.1Å; D20-R83 IonicContact OD1-CZ 3.64Å; D20-R83 IonicContact OD1-NE 3.56Å; D20-R83 PolarHBondContact OD1-NE 3.46Å; D20-R83 IonicContact OD1-NH2 3.99Å; D20-R83 PolarHBondContact OD1-NH2 3.25Å; D20-R83 WeakPolarHBondContact OD2-CB 3.38Å; D20-R83 IonicContact OD2-CZ 3.65Å; D20-R83 IonicContact OD2-NE 3.32Å; D20-R83 PolarHBondContact OD2-NE 2.92Å; D20-R83 IonicContact OD2-NH2 2.74Å; H25-R83 VanDerWaalsContact CG-CD 3.46Å; D28-R83 IonicContact OD2-CZ 3.62Å; D28-R83 IonicContact OD2-NH1 3.05Å; D28-R83 PolarHBondContact OD2-NH1 3.2Å; D28-R83 IonicContact OD2-NH2 3.45Å; D28-R83 PolarHBondContact OD2-NH2 3.32Å; D28-R83 VanDerWaalsContact OD2-NH2 3.14Å; M79-R83 HydrophobicContact CE-CG 4.18Å; M79-R83 HydrophobicContact SD-CG 3.86Å; I81-R83 PolarHBondContact O-N 3.06Å; R83-W85 PolarHBondContact O-N 3.35Å
84T97.8Very high94.8Very high0 Ų022.4 Ų22.40%010%0.103CC..EExtended strand (participates in β ladder)trans-88.7103.5-176.9-57.90000109.8S12 V73 R74 F76 F86 S353S12-T84 CarbonylContact O-C 3.46Å; S12-T84 WeakPolarHBondContact O-CA 3.18Å; V73-T84 CarbonylContact C-O 3.58Å; V73-T84 VanDerWaalsContact CA-O 3.23Å; V73-T84 WeakPolarHBondContact CA-O 3.31Å; R74-T84 HydrophobicContact CG-CG2 4.36Å; R74-T84 PolarHBondContact N-O 3.11Å; R74-T84 VanDerWaalsContact O-CB 3.31Å; R74-T84 WeakPolarHBondContact O-CB 3.19Å; R74-T84 PolarHBondContact O-N 3.4Å; F76-T84 HydrophobicContact CD2-CG2 3.64Å; F76-T84 WeakPolarHBondContact CD2-OG1 3.45Å; F76-T84 HydrophobicContact CE2-CG2 3.73Å; F76-T84 HydrophobicContact CG-CG2 4.17Å; F76-T84 WeakPolarHBondContact CG-OG1 3.44Å; F76-T84 HydrophobicContact CZ-CG2 4.26Å; T84-F86 WeakPolarHBondContact O-CD1 3.31Å; T84-S353 VanDerWaalsContact CG2-CB 3.41Å; T84-S353 WeakPolarHBondContact OG1-CB 3.41Å; T84-S353 PolarHBondContact OG1-OG 2.95Å
85W97.7Very high94.9Very high13 Ų1322.1 Ų22.15%0.04910%0.103CC..EExtended strand (participates in β ladder)trans-67141.5170.9-67.348.1000109.1G11 S12 A14 A16 M53 W63 V71 V73 R83G11-W85 CarbonylContact C-O 3.06Å; G11-W85 WeakPolarHBondContact CA-O 3.21Å; S12-W85 PolarHBondContact N-O 2.86Å; S12-W85 PolarHBondContact O-N 3.43Å; A14-W85 PolarHBondContact O-NE1 3.47Å; A16-W85 HydrophobicContact CB-CZ2 3.71Å; M53-W85 HydrophobicContact CB-CD2 4.03Å; M53-W85 HydrophobicContact CB-CE3 3.81Å; M53-W85 HydrophobicContact CB-CH2 4.23Å; M53-W85 HydrophobicContact CB-CZ2 4.38Å; M53-W85 HydrophobicContact CB-CZ3 3.96Å; M53-W85 HydrophobicContact CG-CD2 4.27Å; M53-W85 HydrophobicContact CG-CE3 4.45Å; M53-W85 HydrophobicContact CG-CG 4.43Å; W63-W85 AromaticContact CD1-CE3 3.77Å; W63-W85 AromaticContact CD1-CZ3 3.9Å; W63-W85 HydrophobicContact CD2-CB 4.46Å; W63-W85 HydrophobicContact CD2-CE3 4.06Å; W63-W85 HydrophobicContact CE3-CB 4.04Å; W63-W85 AromaticContact CG-CE3 3.9Å; W63-W85 HydrophobicContact CG-CE3 3.9Å; W63-W85 HydrophobicContact CG-CZ3 4.4Å; W63-W85 HydrophobicContact CZ3-CB 4.08Å; W63-W85 AromaticContact NE1-CE3 3.88Å; V71-W85 HydrophobicContact CB-CD2 4.39Å; V71-W85 HydrophobicContact CB-CE3 4.1Å; V71-W85 HydrophobicContact CB-CH2 4.12Å; V71-W85 HydrophobicContact CB-CZ2 4.45Å; V71-W85 HydrophobicContact CB-CZ3 3.93Å; V71-W85 HydrophobicContact CG1-CD2 4.07Å; V71-W85 HydrophobicContact CG1-CE3 4.18Å; V71-W85 HydrophobicContact CG1-CH2 3.68Å; V71-W85 HydrophobicContact CG1-CZ2 3.59Å; V71-W85 HydrophobicContact CG1-CZ3 3.97Å; V71-W85 HydrophobicContact CG2-CD2 3.64Å; V71-W85 HydrophobicContact CG2-CE3 3.31Å; V71-W85 HydrophobicContact CG2-CG 4.27Å; V71-W85 HydrophobicContact CG2-CH2 4.25Å; V71-W85 HydrophobicContact CG2-CZ3 3.63Å; V73-W85 HydrophobicContact CG1-CG 4.31Å; R83-W85 PolarHBondContact O-N 3.35Å
86F97Very high94.9Very high1 Ų120.4 Ų20.40%0.00410%0.098CC..  trans-148.8157.4-175.663.4-78.2000113.3S64 N72 R74 T84 A88S64-F86 VanDerWaalsContact CB-O 3.32Å; S64-F86 WeakPolarHBondContact CB-O 3.39Å; S64-F86 PolarHBondContact N-O 2.9Å; S64-F86 PolarHBondContact OG-O 2.99Å; N72-F86 HydrophobicContact CB-CE1 3.95Å; N72-F86 HydrophobicContact CB-CZ 4.08Å; R74-F86 HydrophobicContact CB-CD1 4.17Å; R74-F86 HydrophobicContact CB-CE1 3.9Å; R74-F86 HydrophobicContact CB-CZ 4.47Å; R74-F86 HydrophobicContact CG-CD1 3.74Å; R74-F86 HydrophobicContact CG-CE1 3.99Å; R74-F86 HydrophobicContact CG-CG 4.26Å; R74-F86 VanDerWaalsContact CZ-CB 3.43Å; T84-F86 WeakPolarHBondContact O-CD1 3.31Å; F86-A88 WeakPolarHBondContact CD2-O 3.4Å
87A95.4Very high94.9Very high3 Ų323.7 Ų23.73%0.02511%0.114CC..SBendtrans-121.292.6168.100000108P62 D89 K90 T91 H94P62-A87 VanDerWaalsContact O-CB 3.27Å; P62-A87 WeakPolarHBondContact O-CB 3.46Å; A87-D89 PolarHBondContact O-N 3.47Å; A87-K90 CarbonylContact O-C 3.59Å; A87-K90 PolarHBondContact O-N 3.34Å; A87-T91 PolarHBondContact N-OG1 2.89Å; A87-H94 HydrophobicContact CB-CB 4.19Å; A87-H94 VanDerWaalsContact CB-CD2 3.48Å; A87-H94 WeakPolarHBondContact CB-CD2 3.43Å
88A91.5Very high95.2Very high24 Ų2423.9 Ų23.920%0.19811%0.114CC..THydrogen-bonded Turntrans45.3-128.3-165.900000110.6S64 R74 F86 P289S64-A88 PolarHBondContact OG-N 3.49Å; S64-A88 VanDerWaalsContact OG-N 3.1Å; R74-A88 PolarHBondContact NH1-O 3.18Å; R74-A88 PolarHBondContact NH2-O 3.29Å; F86-A88 WeakPolarHBondContact CD2-O 3.4Å; A88-P289 HydrophobicContact CB-CG 4.44Å
89D92.4Very high95.4Very high0 Ų026.8 Ų26.80%013%0.129CC..THydrogen-bonded Turntrans-11133.1168.660.5-10.8000111.8E9 A87 L288 P289 F290 I291E9-D89 VanDerWaalsContact CA-O 3.29Å; E9-D89 WeakPolarHBondContact CA-O 3.18Å; E9-D89 HydrophobicContact CB-CB 4.34Å; E9-D89 WeakPolarHBondContact CB-O 3.39Å; E9-D89 VanDerWaalsContact CG-O 3.23Å; E9-D89 WeakPolarHBondContact CG-O 3.47Å; E9-D89 CarbonylContact O-C 3.5Å; E9-D89 WeakPolarHBondContact O-CA 3.45Å; A87-D89 PolarHBondContact O-N 3.47Å; D89-L288 HydrophobicContact CB-CD2 4.31Å; D89-L288 WeakPolarHBondContact OD2-CA 3.46Å; D89-P289 WeakPolarHBondContact OD1-CD 3.48Å; D89-P289 WeakPolarHBondContact OD1-CG 3.2Å; D89-F290 VanDerWaalsContact CG-CB 3.43Å; D89-F290 VanDerWaalsContact CG-N 3.35Å; D89-F290 VanDerWaalsContact OD1-CB 3.26Å; D89-F290 WeakPolarHBondContact OD1-CB 3.4Å; D89-F290 PolarHBondContact OD1-N 3.06Å; D89-F290 VanDerWaalsContact OD1-N 3.1Å; D89-F290 WeakPolarHBondContact OD2-CA 3.27Å; D89-F290 WeakPolarHBondContact OD2-CB 3.41Å; D89-F290 PolarHBondContact OD2-N 3.39Å; D89-I291 PolarHBondContact OD2-N 2.95Å
90K94.2Very high95.5Very high68 Ų6829.4 Ų29.430%0.29614%0.14SC..  trans-126.930.8-179.4-62.5-176.6-179.2-178.70112.1A87 G92 F93 H94 F290A87-K90 CarbonylContact O-C 3.59Å; A87-K90 PolarHBondContact O-N 3.34Å; K90-G92 PolarHBondContact O-N 3.41Å; K90-F93 HydrophobicContact CB-CB 4.46Å; K90-F93 WeakPolarHBondContact O-CB 3.36Å; K90-F93 PolarHBondContact O-N 3.1Å; K90-H94 PolarHBondContact O-CD2 3.27Å; K90-H94 PolarHBondContact O-N 3.43Å; K90-H94 VanDerWaalsContact O-N 3.08Å; K90-F290 HydrophobicContact CG-CB 4.11Å; K90-F290 HydrophobicContact CG-CG 4.39Å
91T96.4Very high95.6Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-58.1-54.1-166.9-550000113.6E9 W63 A87 F93 H94 M95 L356E9-T91 PolarHBondContact O-N 3.43Å; E9-T91 PolarHBondContact O-OG1 2.77Å; W63-T91 HydrophobicContact CH2-CG2 3.93Å; W63-T91 HydrophobicContact CZ3-CG2 3.44Å; W63-T91 VanDerWaalsContact CZ3-CG2 3.44Å; A87-T91 PolarHBondContact N-OG1 2.89Å; T91-F93 VanDerWaalsContact C-N 3.29Å; T91-F93 PolarHBondContact O-N 3.22Å; T91-H94 WeakPolarHBondContact O-CB 3.32Å; T91-H94 PolarHBondContact O-N 3.23Å; T91-H94 VanDerWaalsContact O-N 3.1Å; T91-M95 HydrophobicContact CG2-CG 4.27Å; T91-M95 HydrophobicContact CG2-SD 3.91Å; T91-M95 WeakPolarHBondContact O-CG 3.48Å; T91-M95 PolarHBondContact O-N 3.15Å; T91-L356 HydrophobicContact CG2-CD1 3.88Å
92G95.8Very high95.7Very high0 Ų030.3 Ų30.30%015%0.146CC..Hα-helixtrans-66.9-30.1-177.500000113T5 A8 K90 L96T5-G92 CarbonylContact O-C 3.48Å; T5-G92 VanDerWaalsContact O-CA 3.24Å; T5-G92 WeakPolarHBondContact O-CA 3.27Å; A8-G92 WeakPolarHBondContact O-CA 3.35Å; A8-G92 PolarHBondContact O-N 2.65Å; K90-G92 PolarHBondContact O-N 3.41Å; G92-L96 VanDerWaalsContact O-CB 3.32Å; G92-L96 WeakPolarHBondContact O-CB 3.33Å; G92-L96 PolarHBondContact O-N 3.26Å
93F95Very high95.8Very high99 Ų9929.8 Ų29.843%0.43415%0.147SC..Hα-helixtrans-59.9-49.1169172.3-93.1000111.1V6 K90 T91 L96 H97V6-F93 HydrophobicContact CB-CB 4.43Å; V6-F93 HydrophobicContact CB-CD2 4.49Å; V6-F93 HydrophobicContact CG1-CD2 4.5Å; K90-F93 HydrophobicContact CB-CB 4.46Å; K90-F93 WeakPolarHBondContact O-CB 3.36Å; K90-F93 PolarHBondContact O-N 3.1Å; T91-F93 VanDerWaalsContact C-N 3.29Å; T91-F93 PolarHBondContact O-N 3.22Å; F93-L96 PolarHBondContact O-N 3.02Å; F93-H97 WeakPolarHBondContact O-CB 3.45Å; F93-H97 PolarHBondContact O-N 3.15Å
94H96.2Very high95.7Very high52 Ų5234.9 Ų34.924%0.24117%0.173CC..Hα-helixtrans-65.6-41.2178.8-75.7-55.6000112.9P62 A87 K90 T91 H97 T98P62-H94 HydrophobicContact CG-CB 4.15Å; A87-H94 HydrophobicContact CB-CB 4.19Å; A87-H94 VanDerWaalsContact CB-CD2 3.48Å; A87-H94 WeakPolarHBondContact CB-CD2 3.43Å; K90-H94 PolarHBondContact O-CD2 3.27Å; K90-H94 PolarHBondContact O-N 3.43Å; K90-H94 VanDerWaalsContact O-N 3.08Å; T91-H94 WeakPolarHBondContact O-CB 3.32Å; T91-H94 PolarHBondContact O-N 3.23Å; T91-H94 VanDerWaalsContact O-N 3.1Å; H94-H97 PolarHBondContact O-N 2.78Å; H94-T98 WeakPolarHBondContact O-CB 3.37Å; H94-T98 PolarHBondContact O-N 3.48Å; H94-T98 PolarHBondContact O-OG1 3.08Å
95M97.1Very high95.6Very high3 Ų341.4 Ų41.42%0.01520%0.204CC..Hα-helixtrans-60.8-48.8174.8-69.8174.470.400111.4L56 W63 T91 H97 T98 L99 L356 V360L56-M95 HydrophobicContact CD1-CE 3.62Å; L56-M95 HydrophobicContact CD1-CG 4.12Å; L56-M95 HydrophobicContact CD1-SD 4.5Å; W63-M95 HydrophobicContact CH2-CG 3.94Å; W63-M95 HydrophobicContact CH2-SD 4Å; W63-M95 HydrophobicContact CZ2-CG 4.46Å; T91-M95 HydrophobicContact CG2-CG 4.27Å; T91-M95 HydrophobicContact CG2-SD 3.91Å; T91-M95 WeakPolarHBondContact O-CG 3.48Å; T91-M95 PolarHBondContact O-N 3.15Å; M95-H97 PolarHBondContact O-N 3.25Å; M95-T98 PolarHBondContact O-N 2.76Å; M95-L99 WeakPolarHBondContact O-CG 3.48Å; M95-L99 PolarHBondContact O-N 3.49Å; M95-L356 HydrophobicContact CE-CB 4.08Å; M95-L356 HydrophobicContact SD-CB 3.96Å; M95-L356 HydrophobicContact SD-CD1 3.78Å; M95-L356 HydrophobicContact SD-CD2 4.19Å; M95-L356 HydrophobicContact SD-CG 4.2Å; M95-V360 HydrophobicContact CE-CG1 3.99Å
96L95.6Very high95.6Very high30 Ų3045.5 Ų45.516%0.15722%0.222CC..Hα-helixtrans-64.5-40.9-179.1-173.368.2000111.7M1 V6 G92 F93 T98 L99 F100M1-L96 HydrophobicContact CB-CD2 3.78Å; M1-L96 HydrophobicContact CE-CD2 4.23Å; M1-L96 HydrophobicContact CE-CG 4.02Å; M1-L96 HydrophobicContact CG-CD2 4.47Å; M1-L96 HydrophobicContact SD-CD1 4.23Å; M1-L96 HydrophobicContact SD-CD2 3.85Å; M1-L96 HydrophobicContact SD-CG 3.64Å; V6-L96 HydrophobicContact CG1-CB 4.31Å; V6-L96 HydrophobicContact CG1-CD2 3.25Å; V6-L96 HydrophobicContact CG1-CG 4.38Å; G92-L96 VanDerWaalsContact O-CB 3.32Å; G92-L96 WeakPolarHBondContact O-CB 3.33Å; G92-L96 PolarHBondContact O-N 3.26Å; F93-L96 PolarHBondContact O-N 3.02Å; L96-T98 VanDerWaalsContact C-N 3.35Å; L96-L99 PolarHBondContact O-N 3.06Å; L96-F100 VanDerWaalsContact O-CB 3.23Å; L96-F100 WeakPolarHBondContact O-CB 3.44Å; L96-F100 PolarHBondContact O-N 3.35Å
97H95.5Very high95.6Very high73 Ų7350.7 Ų50.734%0.33826%0.256SS..Hα-helixtrans-61.4-44175.5-168.6-92.6000112F93 H94 M95 F100 Q101F93-H97 WeakPolarHBondContact O-CB 3.45Å; F93-H97 PolarHBondContact O-N 3.15Å; H94-H97 PolarHBondContact O-N 2.78Å; M95-H97 PolarHBondContact O-N 3.25Å; H97-F100 PolarHBondContact O-N 2.76Å; H97-Q101 PolarHBondContact CE1-NE2 3.13Å; H97-Q101 PolarHBondContact CE1-OE1 2.94Å; H97-Q101 PolarHBondContact ND1-OE1 2.75Å; H97-Q101 WeakPolarHBondContact O-CB 3.42Å; H97-Q101 WeakPolarHBondContact O-CG 3.37Å; H97-Q101 PolarHBondContact O-N 2.97Å
98T97.2Very high95.6Very high5 Ų557.7 Ų57.73%0.03129%0.288CS..Hα-helixtrans-60-52.7176.8-55.50000110.7W59 C61 H94 M95 L96 F100 Q101 T102W59-T98 HydrophobicContact CB-CG2 3.51Å; C61-T98 WeakPolarHBondContact CA-OG1 3.38Å; C61-T98 HydrophobicContact CB-CG2 4.12Å; H94-T98 WeakPolarHBondContact O-CB 3.37Å; H94-T98 PolarHBondContact O-N 3.48Å; H94-T98 PolarHBondContact O-OG1 3.08Å; M95-T98 PolarHBondContact O-N 2.76Å; L96-T98 VanDerWaalsContact C-N 3.35Å; T98-F100 VanDerWaalsContact C-N 3.32Å; T98-F100 PolarHBondContact O-N 3.22Å; T98-Q101 PolarHBondContact O-N 3.49Å; T98-T102 WeakPolarHBondContact O-CB 3.3Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 3.09Å; T98-T102 VanDerWaalsContact O-OG1 3.06Å
99L96Very high95.8Very high65 Ų6560.8 Ų60.834%0.3430%0.3SS..Hα-helixtrans-59.9-41.8179.1-72168.1000112.4L56 W59 M95 L96 T102 S103L56-L99 HydrophobicContact CD2-CD2 4.02Å; L56-L99 HydrophobicContact CD2-CG 4.06Å; W59-L99 HydrophobicContact CE3-CD2 4.06Å; W59-L99 HydrophobicContact CZ3-CD2 3.58Å; M95-L99 WeakPolarHBondContact O-CG 3.48Å; M95-L99 PolarHBondContact O-N 3.49Å; L96-L99 PolarHBondContact O-N 3.06Å; L99-T102 PolarHBondContact O-N 3.36Å; L99-S103 WeakPolarHBondContact O-CB 3.22Å; L99-S103 PolarHBondContact O-N 3.3Å
100F95Very high96Very high54 Ų5468 Ų6824%0.23733%0.334CS..Hα-helixtrans-62.5-49.9177176.7-104.3000111.8M1 L96 H97 T98 T102 S103 L104 R111M1-F100 HydrophobicContact CE-CB 3.69Å; M1-F100 HydrophobicContact CE-CD1 4.01Å; M1-F100 HydrophobicContact CE-CG 3.82Å; M1-F100 HydrophobicContact CG-CD2 4.22Å; M1-F100 HydrophobicContact CG-CG 4.44Å; M1-F100 HydrophobicContact SD-CB 3.37Å; M1-F100 WeakPolarHBondContact SD-CB 3.23Å; M1-F100 HydrophobicContact SD-CD1 4.16Å; M1-F100 HydrophobicContact SD-CD2 3.59Å; M1-F100 VanDerWaalsContact SD-CD2 3.59Å; M1-F100 HydrophobicContact SD-CE2 4.43Å; M1-F100 HydrophobicContact SD-CG 3.43Å; M1-F100 WeakPolarHBondContact SD-CG 3.47Å; L96-F100 VanDerWaalsContact O-CB 3.23Å; L96-F100 WeakPolarHBondContact O-CB 3.44Å; L96-F100 PolarHBondContact O-N 3.35Å; H97-F100 PolarHBondContact O-N 2.76Å; T98-F100 VanDerWaalsContact C-N 3.32Å; T98-F100 PolarHBondContact O-N 3.22Å; F100-T102 VanDerWaalsContact C-N 3.3Å; F100-T102 PolarHBondContact O-N 2.98Å; F100-S103 PolarHBondContact O-N 2.73Å; F100-S103 VanDerWaalsContact O-N 3.13Å; F100-S103 PolarHBondContact O-OG 3.01Å; F100-L104 HydrophobicContact CD1-CD1 4.24Å; F100-L104 HydrophobicContact CE1-CD1 3.76Å; F100-L104 HydrophobicContact CE1-CG 4.44Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CZ-CD1 4.05Å; F100-L104 HydrophobicContact CZ-CD2 4.28Å; F100-L104 HydrophobicContact CZ-CG 4.4Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 2.92Å; F100-R111 VanDerWaalsContact CE2-CZ 3.46Å
101Q95.6Very high96Very high97 Ų9769.9 Ų69.945%0.45334%0.339SS..Hα-helixtrans-61.3-39.1177.6-73.2-176.4-52.500112.2H97 T98 L104H97-Q101 PolarHBondContact CE1-NE2 3.13Å; H97-Q101 PolarHBondContact CE1-OE1 2.94Å; H97-Q101 PolarHBondContact ND1-OE1 2.75Å; H97-Q101 WeakPolarHBondContact O-CB 3.42Å; H97-Q101 WeakPolarHBondContact O-CG 3.37Å; H97-Q101 PolarHBondContact O-N 2.97Å; T98-Q101 PolarHBondContact O-N 3.49Å; Q101-L104 PolarHBondContact O-N 2.88Å
102T96.7Very high96Very high12 Ų1274.6 Ų74.67%0.07436%0.36CS..Hα-helixtrans-62.3-45.1173.4-61.60000111.3W59 T98 L99 F100 L104 Q105 F106W59-T102 HydrophobicContact CD2-CG2 3.87Å; W59-T102 HydrophobicContact CE3-CG2 4.31Å; W59-T102 HydrophobicContact CG-CG2 4.2Å; W59-T102 HydrophobicContact CZ2-CG2 4.14Å; T98-T102 WeakPolarHBondContact O-CB 3.3Å; T98-T102 PolarHBondContact O-N 3.43Å; T98-T102 PolarHBondContact O-OG1 3.09Å; T98-T102 VanDerWaalsContact O-OG1 3.06Å; L99-T102 PolarHBondContact O-N 3.36Å; F100-T102 VanDerWaalsContact C-N 3.3Å; F100-T102 PolarHBondContact O-N 2.98Å; T102-L104 PolarHBondContact O-N 2.94Å; T102-Q105 WeakPolarHBondContact O-CB 3.29Å; T102-Q105 PolarHBondContact O-N 3.05Å; T102-Q105 VanDerWaalsContact O-N 3.08Å; T102-F106 HydrophobicContact CG2-CE2 4.1Å; T102-F106 VanDerWaalsContact O-CD2 3.31Å; T102-F106 WeakPolarHBondContact O-CD2 3.21Å; T102-F106 WeakPolarHBondContact O-CE2 3.38Å
103S96Very high95.9Very high26 Ų2679 Ų7918%0.18238%0.383CS..Hα-helixtrans-61.7-31.5-178.975.20000113.3L99 F100 Q105 F106L99-S103 WeakPolarHBondContact O-CB 3.22Å; L99-S103 PolarHBondContact O-N 3.3Å; F100-S103 PolarHBondContact O-N 2.73Å; F100-S103 VanDerWaalsContact O-N 3.13Å; F100-S103 PolarHBondContact O-OG 3.01Å; S103-Q105 PolarHBondContact O-N 3.16Å; S103-Q105 VanDerWaalsContact O-N 3.17Å; S103-F106 PolarHBondContact O-N 3.3Å; S103-F106 VanDerWaalsContact O-N 3.17Å
104L95.5Very high95.9Very high107 Ų10777.6 Ų77.656%0.5638%0.378SS*.THydrogen-bonded Turntrans-65.9-16.1178.5-67175.6000113.3F100 Q101 T102 F106F100-L104 HydrophobicContact CD1-CD1 4.24Å; F100-L104 HydrophobicContact CE1-CD1 3.76Å; F100-L104 HydrophobicContact CE1-CG 4.44Å; F100-L104 HydrophobicContact CE2-CD2 4.47Å; F100-L104 HydrophobicContact CZ-CD1 4.05Å; F100-L104 HydrophobicContact CZ-CD2 4.28Å; F100-L104 HydrophobicContact CZ-CG 4.4Å; F100-L104 WeakPolarHBondContact O-CG 3.42Å; F100-L104 PolarHBondContact O-N 2.92Å; Q101-L104 PolarHBondContact O-N 2.88Å; T102-L104 PolarHBondContact O-N 2.94Å; L104-F106 PolarHBondContact O-N 3.04Å
105Q96.5Very high95.9Very high137 Ų13777.3 Ų77.364%0.6438%0.377SS*.THydrogen-bonded Turntrans-77.1-13.3178.4-57.7175.433.200112.4T102 S103 P107T102-Q105 WeakPolarHBondContact O-CB 3.29Å; T102-Q105 PolarHBondContact O-N 3.05Å; T102-Q105 VanDerWaalsContact O-N 3.08Å; S103-Q105 PolarHBondContact O-N 3.16Å; S103-Q105 VanDerWaalsContact O-N 3.17Å; Q105-P107 WeakPolarHBondContact O-CD 3.36Å
106F97.2Very high95.9Very high99 Ų9978.3 Ų78.343%0.43438%0.381SS..  trans-109.6101-174.7-60.8-85.3000110.4T102 S103 L104 Q108 I109T102-F106 HydrophobicContact CG2-CE2 4.1Å; T102-F106 VanDerWaalsContact O-CD2 3.31Å; T102-F106 WeakPolarHBondContact O-CD2 3.21Å; T102-F106 WeakPolarHBondContact O-CE2 3.38Å; S103-F106 PolarHBondContact O-N 3.3Å; S103-F106 VanDerWaalsContact O-N 3.17Å; L104-F106 PolarHBondContact O-N 3.04Å; F106-Q108 PolarHBondContact O-N 2.71Å; F106-Q108 VanDerWaalsContact O-N 3.09Å; F106-I109 HydrophobicContact CB-CD1 3.8Å; F106-I109 HydrophobicContact CB-CG1 3.84Å; F106-I109 HydrophobicContact CD2-CD1 4.25Å; F106-I109 HydrophobicContact CG-CD1 4.28Å; F106-I109 PolarHBondContact O-N 3.27Å
107P96.1Very high96Very high110 Ų11079 Ų7971%0.71439%0.387SS*.THydrogen-bonded Turntrans-63.4-16178.925.8-35.1000113.7Q105 I109Q105-P107 WeakPolarHBondContact O-CD 3.36Å; P107-I109 PolarHBondContact O-N 2.86Å
108Q96.2Very high96.1Very high150 Ų15076.3 Ų76.370%0.70137%0.374SS*.THydrogen-bonded Turntrans-70-20172.9-59.284.7-11.100112.6F106 Q110F106-Q108 PolarHBondContact O-N 2.71Å; F106-Q108 VanDerWaalsContact O-N 3.09Å; Q108-Q110 PolarHBondContact O-N 2.77Å
109I96.7Very high96.2Very high89 Ų8976.4 Ų76.446%0.45638%0.375SS..  trans-85.999.7176.3-58.6179.9000108.5F106 P107F106-I109 HydrophobicContact CB-CD1 3.8Å; F106-I109 HydrophobicContact CB-CG1 3.84Å; F106-I109 HydrophobicContact CD2-CD1 4.25Å; F106-I109 HydrophobicContact CG-CD1 4.28Å; F106-I109 PolarHBondContact O-N 3.27Å; P107-I109 PolarHBondContact O-N 2.86Å
110Q96.2Very high96.3Very high151 Ų15173.5 Ų73.571%0.70636%0.36SS*.  trans-88.7132.1172.9-62.5-178.213.900110.1Q108 F112Q108-Q110 PolarHBondContact O-N 2.77Å; Q110-F112 HydrophobicContact CB-CE2 4.13Å
111R94.4Very high96.5Very high108 Ų10870.9 Ų70.941%0.40835%0.348SS..  trans-107.7132-178.4-68.9172.255.489.47.5110.6F100 D113F100-R111 VanDerWaalsContact CE2-CZ 3.46Å; R111-D113 IonicContact CZ-OD1 2.86Å; R111-D113 IonicContact CZ-OD2 2.67Å; R111-D113 IonicContact NE-OD1 3.08Å; R111-D113 IonicContact NE-OD2 3.14Å; R111-D113 PolarHBondContact NE-OD2 3.22Å; R111-D113 VanDerWaalsContact NH2-CG 3.27Å; R111-D113 IonicContact NH2-OD1 2.76Å; R111-D113 PolarHBondContact NH2-OD1 3.01Å; R111-D113 IonicContact NH2-OD2 3.91Å; R111-D113 PolarHBondContact NH2-OD2 3.45Å
112F95.3Very high96.6Very high100 Ų10067.5 Ų67.544%0.43933%0.334SS..  trans-113.477.1174.2-65.5-89.7000108.3Q110 H115 I143Q110-F112 HydrophobicContact CB-CE2 4.13Å; F112-H115 HydrophobicContact CB-CB 4.09Å; F112-H115 AromaticContact CD1-NE2 3.73Å; F112-I143 HydrophobicContact CD2-CD1 4.3Å; F112-I143 HydrophobicContact CE2-CD1 4.45Å; F112-I143 HydrophobicContact CG-CD1 4.46Å
113D94.1Very high96.6Very high92 Ų9268.1 Ų68.149%0.49234%0.337SS..THydrogen-bonded Turntrans-68.7144.6178.5-73.2-47.9000110.5R111 H115R111-D113 IonicContact CZ-OD1 2.86Å; R111-D113 IonicContact CZ-OD2 2.67Å; R111-D113 IonicContact NE-OD1 3.08Å; R111-D113 IonicContact NE-OD2 3.14Å; R111-D113 PolarHBondContact NE-OD2 3.22Å; R111-D113 VanDerWaalsContact NH2-CG 3.27Å; R111-D113 IonicContact NH2-OD1 2.76Å; R111-D113 PolarHBondContact NH2-OD1 3.01Å; R111-D113 IonicContact NH2-OD2 3.91Å; R111-D113 PolarHBondContact NH2-OD2 3.45Å; D113-H115 PolarHBondContact O-N 2.82Å; D113-H115 PolarHBondContact O-ND1 3.47Å
114E94.4Very high96.5Very high70 Ų7073.9 Ų73.933%0.32737%0.366SS..THydrogen-bonded Turntrans56.333.4-177.1-50.4-65.4154.100113.8M135 M136 F458E114-M135 HydrophobicContact CB-CB 4.4Å; E114-M135 VanDerWaalsContact O-CB 3.31Å; E114-M135 WeakPolarHBondContact O-CB 3.23Å; E114-M135 VanDerWaalsContact O-CG 3.31Å; E114-M135 WeakPolarHBondContact O-CG 3.31Å; E114-M135 PolarHBondContact O-N 2.86Å; E114-M136 HydrophobicContact CB-CG 4.45Å; E114-F458 HydrophobicContact CG-CE1 4.44Å; E114-F458 HydrophobicContact CG-CZ 4.45Å
115H96.8Very high96.6Very high45 Ų4570.7 Ų70.721%0.20836%0.358CS..EExtended strand (participates in β ladder)trans-102.5108169.7-71.958.4000109.9F112 D113 A132 M133F112-H115 HydrophobicContact CB-CB 4.09Å; F112-H115 AromaticContact CD1-NE2 3.73Å; D113-H115 PolarHBondContact O-N 2.82Å; D113-H115 PolarHBondContact O-ND1 3.47Å; H115-A132 HydrophobicContact CB-CB 4.25Å; H115-M133 CarbonylContact C-O 3.59Å; H115-M133 WeakPolarHBondContact CA-O 3.45Å
116F96.7Very high96.6Very high25 Ų2567 Ų6711%0.1134%0.341CS..EExtended strand (participates in β ladder)trans-84.8114.8-179.4-171.2-82.9000109.8L118 A132 M133 M135 L463 I466 E467F116-L118 HydrophobicContact CD1-CD2 3.99Å; F116-L118 HydrophobicContact CE1-CD2 4.34Å; F116-L118 PolarHBondContact O-N 3.29Å; F116-A132 CarbonylContact O-C 3.55Å; F116-A132 WeakPolarHBondContact O-CA 3.4Å; F116-A132 WeakPolarHBondContact O-CB 3.45Å; F116-M133 PolarHBondContact N-O 3.37Å; F116-M133 PolarHBondContact O-N 3.47Å; F116-M135 HydrophobicContact CB-CG 4.04Å; F116-M135 HydrophobicContact CB-SD 3.92Å; F116-L463 HydrophobicContact CB-CD2 3.94Å; F116-L463 HydrophobicContact CD1-CD2 4Å; F116-L463 HydrophobicContact CD2-CD2 3.8Å; F116-L463 HydrophobicContact CE1-CD2 4.49Å; F116-L463 HydrophobicContact CE2-CD2 4.3Å; F116-L463 HydrophobicContact CG-CD2 3.63Å; F116-I466 HydrophobicContact CE1-CB 4.38Å; F116-I466 HydrophobicContact CE1-CG2 3.85Å; F116-I466 HydrophobicContact CZ-CG2 4.25Å; F116-E467 HydrophobicContact CE2-CG 4Å; F116-E467 HydrophobicContact CZ-CG 3.9Å
117V98Very high96.7Very high45 Ų4562.3 Ų62.327%0.27332%0.321SS..EExtended strand (participates in β ladder)trans-70.7126.3179.2-177.50000109.4L130 A132 M175V117-L130 HydrophobicContact CG1-CB 4.15Å; V117-L130 HydrophobicContact CG1-CD1 4.34Å; V117-L130 HydrophobicContact CG1-CD2 4.23Å; V117-L130 HydrophobicContact CG1-CG 4.48Å; V117-L130 HydrophobicContact CG2-CD1 4.25Å; V117-L130 HydrophobicContact CG2-CD2 4.14Å; V117-A132 HydrophobicContact CG2-CB 4.42Å; V117-M175 HydrophobicContact CB-CE 4.36Å; V117-M175 HydrophobicContact CB-SD 4.47Å; V117-M175 HydrophobicContact CG1-CE 4.03Å; V117-M175 HydrophobicContact CG1-SD 3.73Å
118L98.2Very high96.8Very high15 Ų1558 Ų588%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-94.8-40.4-179.8-64.4175.4000112F116 V131 M133 L140 V392 L396 I466F116-L118 HydrophobicContact CD1-CD2 3.99Å; F116-L118 HydrophobicContact CE1-CD2 4.34Å; F116-L118 PolarHBondContact O-N 3.29Å; L118-V131 HydrophobicContact CD1-CG1 4.39Å; L118-V131 PolarHBondContact N-O 2.88Å; L118-M133 HydrophobicContact CD1-CB 4.23Å; L118-M133 HydrophobicContact CG-CB 4.4Å; L118-L140 HydrophobicContact CD1-CD2 3.55Å; L118-V392 HydrophobicContact CB-CG1 3.73Å; L118-V392 HydrophobicContact CD1-CG1 4.05Å; L118-L396 HydrophobicContact CD1-CD2 3.98Å; L118-L396 HydrophobicContact CD2-CD1 4.35Å; L118-I466 HydrophobicContact CD2-CD1 3.75Å
119D98.4Very high96.8Very high7 Ų750.8 Ų50.84%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-163.3161.3175.5-148-16.4000111.8L130 V131 H179 V392 R395D119-L130 CarbonylContact O-C 3.48Å; D119-L130 VanDerWaalsContact O-CA 3.32Å; D119-L130 WeakPolarHBondContact O-CA 3.48Å; D119-L130 WeakPolarHBondContact O-CB 3.29Å; D119-V131 PolarHBondContact N-O 3.26Å; D119-V131 PolarHBondContact O-N 2.83Å; D119-H179 IonicContact OD1-CD2 3.23Å; D119-H179 PolarHBondContact OD1-CD2 3.2Å; D119-H179 IonicContact OD1-CE1 3.79Å; D119-H179 IonicContact OD1-NE2 3.8Å; D119-H179 PolarHBondContact OD1-NE2 3.29Å; D119-H179 IonicContact OD2-NE2 3.86Å; D119-H179 PolarHBondContact OD2-NE2 2.97Å; D119-V392 HydrophobicContact CB-CG1 4.39Å; D119-V392 HydrophobicContact CB-CG2 3.78Å; D119-R395 IonicContact OD2-CZ 2.65Å; D119-R395 IonicContact OD2-NH1 2.67Å; D119-R395 PolarHBondContact OD2-NH1 3.26Å; D119-R395 IonicContact OD2-NH2 2.65Å; D119-R395 PolarHBondContact OD2-NH2 3.17Å
120I98.6Very high96.9Very high4 Ų448 Ų482%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-87.7159.6166.661.2172.9000110.9V122 H179 I331 L334I120-V122 HydrophobicContact CD1-CG2 3.87Å; I120-V122 HydrophobicContact CG1-CG2 4.06Å; I120-H179 HydrophobicContact CD1-CB 4.21Å; I120-H179 WeakPolarHBondContact CG1-CD2 3.4Å; I120-H179 WeakPolarHBondContact CG1-NE2 3.41Å; I120-H179 PolarHBondContact O-CE1 2.63Å; I120-H179 PolarHBondContact O-NE2 3.42Å; I120-I331 HydrophobicContact CD1-CD1 4.43Å; I120-L334 HydrophobicContact CD1-CD1 4.34Å; I120-L334 HydrophobicContact CD1-CD2 3.66Å
121L98.5Very high97Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-112125.3177-59.4171.4000108.8V127 R128 G129 V131 Q142 I385 Q388 A389L121-V127 CarbonylContact O-C 3.02Å; L121-V127 WeakPolarHBondContact O-CA 3.5Å; L121-R128 PolarHBondContact O-N 3.42Å; L121-G129 PolarHBondContact N-O 3.03Å; L121-V131 HydrophobicContact CD1-CG2 4.18Å; L121-V131 HydrophobicContact CD2-CG2 4.03Å; L121-V131 HydrophobicContact CG-CG2 4.32Å; L121-Q142 HydrophobicContact CD1-CG 3.97Å; L121-I385 HydrophobicContact CB-CG2 4.03Å; L121-I385 HydrophobicContact CD1-CG2 3.66Å; L121-I385 HydrophobicContact CG-CG2 4.31Å; L121-Q388 HydrophobicContact CD2-CB 3.64Å; L121-A389 HydrophobicContact CD2-CB 4.4Å
122V97.8Very high97.2Very high26 Ų2635.9 Ų35.916%0.15819%0.191CC..EExtended strand (participates in β ladder)trans-130.2122.4-172.5-177.10000110.2I120 H126 H179 I331 Q388I120-V122 HydrophobicContact CD1-CG2 3.87Å; I120-V122 HydrophobicContact CG1-CG2 4.06Å; V122-H126 CarbonylContact C-O 3.54Å; V122-H126 WeakPolarHBondContact CA-O 3.47Å; V122-H179 HydrophobicContact CG2-CB 4.32Å; V122-H179 WeakPolarHBondContact CG2-ND1 3.33Å; V122-I331 HydrophobicContact CG1-CD1 4.3Å; V122-I331 HydrophobicContact CG1-CG1 4.45Å; V122-I331 HydrophobicContact CG1-CG2 3.93Å; V122-I331 HydrophobicContact CG2-CD1 4Å; V122-I331 HydrophobicContact CG2-CG2 4.26Å; V122-Q388 PolarHBondContact O-NE2 3.3Å; V122-Q388 PolarHBondContact O-OE1 2.9Å
123D97Very high97.3Very high25 Ų2531.7 Ų31.713%0.13417%0.173CC..EExtended strand (participates in β ladder)trans-125.4121.5180177.849.5000109.4G125 H126 R128 G380 N381 I385D123-G125 VanDerWaalsContact C-N 3.32Å; D123-G125 PolarHBondContact O-N 2.9Å; D123-H126 PolarHBondContact N-O 3.15Å; D123-H126 WeakPolarHBondContact O-CB 3.41Å; D123-H126 PolarHBondContact O-N 2.79Å; D123-R128 HydrophobicContact CB-CG 3.74Å; D123-G380 WeakPolarHBondContact OD2-CA 3.48Å; D123-N381 PolarHBondContact OD2-N 2.85Å; D123-I385 HydrophobicContact CB-CG1 4.17Å
124D95.1Very high97.5Very high146 Ų14627.8 Ų27.878%0.78115%0.152SC*.THydrogen-bonded Turntrans46.251.6-179.5-164.730.9000113.5H126D124-H126 PolarHBondContact O-N 2.96Å; D124-H126 PolarHBondContact O-ND1 3.11Å
125G95.8Very high97.5Very high40 Ų4025.7 Ų25.741%0.41214%0.142SC..THydrogen-bonded Turntrans7010.6179.700000115.3D123 I331 K332D123-G125 VanDerWaalsContact C-N 3.32Å; D123-G125 PolarHBondContact O-N 2.9Å; G125-I331 CarbonylContact O-C 3.57Å; G125-I331 WeakPolarHBondContact O-CA 3.37Å; G125-K332 PolarHBondContact O-N 2.84Å
126H97.7Very high97.4Very high60 Ų6028.3 Ų28.328%0.27816%0.156SC..EExtended strand (participates in β ladder)trans-116137.8176.1-64.870.5000111V122 D123 D124 K332V122-H126 CarbonylContact C-O 3.54Å; V122-H126 WeakPolarHBondContact CA-O 3.47Å; D123-H126 PolarHBondContact N-O 3.15Å; D123-H126 WeakPolarHBondContact O-CB 3.41Å; D123-H126 PolarHBondContact O-N 2.79Å; D124-H126 PolarHBondContact O-N 2.96Å; D124-H126 PolarHBondContact O-ND1 3.11Å; H126-K332 WeakPolarHBondContact CA-O 3.49Å; H126-K332 VanDerWaalsContact CD2-CB 3.48Å; H126-K332 WeakPolarHBondContact CD2-CB 3.14Å
127V98.3Very high97.3Very high0 Ų032.8 Ų32.80%018%0.177CC..EExtended strand (participates in β ladder)trans-71.5140.1169.874.30000109.9L121 V148 I331 K332 G333 L334L121-V127 CarbonylContact O-C 3.02Å; L121-V127 WeakPolarHBondContact O-CA 3.5Å; V127-V148 HydrophobicContact CG1-CB 4.24Å; V127-V148 HydrophobicContact CG1-CG2 4.11Å; V127-V148 HydrophobicContact CG2-CB 4.07Å; V127-V148 HydrophobicContact CG2-CG2 3.65Å; V127-I331 HydrophobicContact CB-CG2 4.08Å; V127-K332 PolarHBondContact N-O 2.79Å; V127-G333 VanDerWaalsContact CG1-O 3.24Å; V127-G333 WeakPolarHBondContact CG1-O 3.18Å; V127-L334 HydrophobicContact CB-CB 4.11Å; V127-L334 HydrophobicContact CG1-CB 4.21Å; V127-L334 HydrophobicContact CG2-CD1 4.34Å
128R97.9Very high97Very high19 Ų1931.8 Ų31.87%0.07218%0.176CC..EExtended strand (participates in β ladder)trans-126.45.3-177.9-61.5-60.1-179.8-156.55.3113.9L121 D123 A145 G378 I385L121-R128 PolarHBondContact O-N 3.42Å; D123-R128 HydrophobicContact CB-CG 3.74Å; R128-A145 CarbonylContact C-O 3.5Å; R128-A145 WeakPolarHBondContact CA-O 3.36Å; R128-A145 PolarHBondContact O-N 2.87Å; R128-A145 VanDerWaalsContact O-N 3.07Å; R128-G378 PolarHBondContact NH1-O 3.38Å; R128-I385 HydrophobicContact CB-CD1 3.69Å; R128-I385 HydrophobicContact CB-CG1 3.99Å; R128-I385 HydrophobicContact CB-CG2 4.47Å; R128-I385 HydrophobicContact CG-CD1 3.75Å; R128-I385 HydrophobicContact CG-CG1 4.14Å
129G98Very high96.9Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans137.2-156.2-179.900000112.6L121 I143 A145L121-G129 PolarHBondContact N-O 3.03Å; G129-I143 CarbonylContact C-O 3.41Å; G129-I143 WeakPolarHBondContact CA-O 3.06Å; G129-A145 PolarHBondContact N-O 2.63Å
130L98.5Very high96.8Very high29 Ų2936.4 Ų36.415%0.15220%0.203CC..EExtended strand (participates in β ladder)trans-151.6164.2179.660.180.7000111.4V117 D119 A132 I143V117-L130 HydrophobicContact CG1-CB 4.15Å; V117-L130 HydrophobicContact CG1-CD1 4.34Å; V117-L130 HydrophobicContact CG1-CD2 4.23Å; V117-L130 HydrophobicContact CG1-CG 4.48Å; V117-L130 HydrophobicContact CG2-CD1 4.25Å; V117-L130 HydrophobicContact CG2-CD2 4.14Å; D119-L130 CarbonylContact O-C 3.48Å; D119-L130 VanDerWaalsContact O-CA 3.32Å; D119-L130 WeakPolarHBondContact O-CA 3.48Å; D119-L130 WeakPolarHBondContact O-CB 3.29Å; L130-A132 HydrophobicContact CD1-CB 3.99Å; L130-I143 HydrophobicContact CD1-CB 4.15Å; L130-I143 HydrophobicContact CD1-CD1 4.15Å; L130-I143 HydrophobicContact CD1-CG1 4.27Å; L130-I143 HydrophobicContact CG-CB 4.39Å; L130-I143 PolarHBondContact N-O 3.39Å; L130-I143 PolarHBondContact O-N 3.23Å
131V98.7Very high96.8Very high5 Ų538.2 Ų38.23%0.0321%0.214CC..EExtended strand (participates in β ladder)trans-111.8130.8166.9-179.80000108L118 D119 L121 V141 A389 V392L118-V131 HydrophobicContact CD1-CG1 4.39Å; L118-V131 PolarHBondContact N-O 2.88Å; D119-V131 PolarHBondContact N-O 3.26Å; D119-V131 PolarHBondContact O-N 2.83Å; L121-V131 HydrophobicContact CD1-CG2 4.18Å; L121-V131 HydrophobicContact CD2-CG2 4.03Å; L121-V131 HydrophobicContact CG-CG2 4.32Å; V131-V141 WeakPolarHBondContact CA-O 3.16Å; V131-A389 HydrophobicContact CG2-CB 3.95Å; V131-V392 HydrophobicContact CB-CB 4.32Å; V131-V392 HydrophobicContact CB-CG1 4Å; V131-V392 HydrophobicContact CB-CG2 4.35Å; V131-V392 HydrophobicContact CG1-CB 4.34Å; V131-V392 HydrophobicContact CG1-CG1 3.88Å; V131-V392 HydrophobicContact CG2-CB 4.3Å; V131-V392 HydrophobicContact CG2-CG2 4.13Å
132A98.3Very high96.7Very high1 Ų141.3 Ų41.31%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-126.8156.6175.200000110.7H115 F116 V117 L130 L140 V141H115-A132 HydrophobicContact CB-CB 4.25Å; F116-A132 CarbonylContact O-C 3.55Å; F116-A132 WeakPolarHBondContact O-CA 3.4Å; F116-A132 WeakPolarHBondContact O-CB 3.45Å; V117-A132 HydrophobicContact CG2-CB 4.42Å; L130-A132 HydrophobicContact CD1-CB 3.99Å; A132-L140 CarbonylContact O-C 3.58Å; A132-L140 WeakPolarHBondContact O-CA 3.43Å; A132-V141 PolarHBondContact N-O 3.2Å; A132-V141 PolarHBondContact O-N 2.76Å
133M97.3Very high96.7Very high11 Ų1142.6 Ų42.65%0.05423%0.234CC..EExtended strand (participates in β ladder)trans-102.1122.8169.6-176.217260.700109.2H115 F116 L118 M135 T139 L140 L396 L462 L463H115-M133 CarbonylContact C-O 3.59Å; H115-M133 WeakPolarHBondContact CA-O 3.45Å; F116-M133 PolarHBondContact N-O 3.37Å; F116-M133 PolarHBondContact O-N 3.47Å; L118-M133 HydrophobicContact CD1-CB 4.23Å; L118-M133 HydrophobicContact CG-CB 4.4Å; M133-M135 PolarHBondContact O-N 2.83Å; M133-M135 VanDerWaalsContact O-N 3.15Å; M133-T139 WeakPolarHBondContact CA-O 3.34Å; M133-L140 HydrophobicContact CB-CD2 3.93Å; M133-L140 HydrophobicContact CG-CD2 4.2Å; M133-L396 HydrophobicContact SD-CD2 4.35Å; M133-L462 HydrophobicContact CE-CD2 4.14Å; M133-L462 HydrophobicContact SD-CD2 4.28Å; M133-L463 HydrophobicContact CE-CD2 3.34Å; M133-L463 HydrophobicContact CE-CG 4.26Å
134N97.1Very high96.7Very high10 Ų1046 Ų465%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-69.7107.2166.6177.6-13.4000107.9M136 E137 G138 T139 V141N134-M136 PolarHBondContact O-N 3.48Å; N134-M136 WeakPolarHBondContact OD1-CB 3.43Å; N134-M136 PolarHBondContact OD1-N 3.45Å; N134-E137 HydrophobicContact CB-CB 4.49Å; N134-E137 PolarHBondContact ND2-OE2 3.35Å; N134-E137 PolarHBondContact O-N 3.37Å; N134-E137 PolarHBondContact OD1-N 2.75Å; N134-G138 WeakPolarHBondContact O-CA 3.37Å; N134-G138 PolarHBondContact O-N 3.4Å; N134-T139 PolarHBondContact N-O 2.74Å; N134-V141 HydrophobicContact CB-CG2 4.46Å
135M95.3Very high96.8Very high27 Ų2740.4 Ų40.413%0.13322%0.219CC..THydrogen-bonded Turntrans-65.8-24.5-174.2-64.7169.248.200112.6E114 F116 M133 V457 F458 L463E114-M135 HydrophobicContact CB-CB 4.4Å; E114-M135 VanDerWaalsContact O-CB 3.31Å; E114-M135 WeakPolarHBondContact O-CB 3.23Å; E114-M135 VanDerWaalsContact O-CG 3.31Å; E114-M135 WeakPolarHBondContact O-CG 3.31Å; E114-M135 PolarHBondContact O-N 2.86Å; F116-M135 HydrophobicContact CB-CG 4.04Å; F116-M135 HydrophobicContact CB-SD 3.92Å; M133-M135 PolarHBondContact O-N 2.83Å; M133-M135 VanDerWaalsContact O-N 3.15Å; M135-V457 CarbonylContact O-C 3.56Å; M135-F458 HydrophobicContact CB-CD1 4.09Å; M135-F458 HydrophobicContact CB-CE1 4.04Å; M135-F458 HydrophobicContact CE-CD1 3.79Å; M135-F458 HydrophobicContact CE-CE1 3.91Å; M135-F458 PolarHBondContact O-N 2.88Å; M135-L463 HydrophobicContact CE-CD1 3.4Å; M135-L463 HydrophobicContact CG-CD1 4.13Å; M135-L463 HydrophobicContact SD-CD1 3.93Å
136M94.5Very high96.8Very high99 Ų9942 Ų4249%0.48822%0.218SC..THydrogen-bonded Turntrans-77.1-31.7-179.2-59.4-178.1-66.600112.6E114 N134 V457 F458E114-M136 HydrophobicContact CB-CG 4.45Å; N134-M136 PolarHBondContact O-N 3.48Å; N134-M136 WeakPolarHBondContact OD1-CB 3.43Å; N134-M136 PolarHBondContact OD1-N 3.45Å; M136-V457 WeakPolarHBondContact O-CG1 3.48Å; M136-F458 HydrophobicContact CB-CE2 4.07Å; M136-F458 HydrophobicContact CB-CZ 4.43Å; M136-F458 HydrophobicContact CG-CE2 3.59Å; M136-F458 HydrophobicContact CG-CZ 3.52Å
137E93.8Very high96.9Very high119 Ų11940.1 Ų40.156%0.55621%0.213SC*.THydrogen-bonded Turntrans-108.7-19.8-174-65.5176.7-173.600112.9N134 T139N134-E137 HydrophobicContact CB-CB 4.49Å; N134-E137 PolarHBondContact ND2-OE2 3.35Å; N134-E137 PolarHBondContact O-N 3.37Å; N134-E137 PolarHBondContact OD1-N 2.75Å; E137-T139 HydrophobicContact CB-CG2 4.03Å; E137-T139 PolarHBondContact O-N 3.21Å; E137-T139 PolarHBondContact OE2-OG1 3.06Å
138G92.5Very high96.9Very high25 Ų2541 Ų4126%0.25822%0.218SC..THydrogen-bonded Turntrans72.313.4-172.300000113.7N134 S456N134-G138 WeakPolarHBondContact O-CA 3.37Å; N134-G138 PolarHBondContact O-N 3.4Å; G138-S456 WeakPolarHBondContact CA-O 3.39Å
139T95.9Very high96.9Very high60 Ų6043 Ų4337%0.36823%0.232SC..EExtended strand (participates in β ladder)trans-90.8148.8-178.953.20000110.9M133 N134 E137M133-T139 WeakPolarHBondContact CA-O 3.34Å; N134-T139 PolarHBondContact N-O 2.74Å; E137-T139 HydrophobicContact CB-CG2 4.03Å; E137-T139 PolarHBondContact O-N 3.21Å; E137-T139 PolarHBondContact OE2-OG1 3.06Å
140L97Very high97Very high59 Ų5943.4 Ų43.431%0.30923%0.234SC..EExtended strand (participates in β ladder)trans-88.6139.4171.4-61.6-174.2000110.3L118 A132 M133 E393 L396L118-L140 HydrophobicContact CD1-CD2 3.55Å; A132-L140 CarbonylContact O-C 3.58Å; A132-L140 WeakPolarHBondContact O-CA 3.43Å; M133-L140 HydrophobicContact CB-CD2 3.93Å; M133-L140 HydrophobicContact CG-CD2 4.2Å; L140-E393 HydrophobicContact CD1-CB 3.63Å; L140-E393 HydrophobicContact CD1-CG 3.65Å; L140-L396 HydrophobicContact CD1-CD2 4.39Å; L140-L396 HydrophobicContact CD2-CD2 3.81Å
141V97.3Very high96.9Very high42 Ų4245.6 Ų45.626%0.25526%0.256SS..EExtended strand (participates in β ladder)trans-123.9127177.3-177.70000108.1V131 A132 N134 I143V131-V141 WeakPolarHBondContact CA-O 3.16Å; A132-V141 PolarHBondContact N-O 3.2Å; A132-V141 PolarHBondContact O-N 2.76Å; N134-V141 HydrophobicContact CB-CG2 4.46Å; V141-I143 HydrophobicContact CG1-CG1 4.03Å
142Q97.5Very high96.8Very high64 Ų6448.2 Ų48.230%0.29927%0.273SS..EExtended strand (participates in β ladder)trans-98.5124.2170.3-172.6-175.227.500109L121 R144 E386L121-Q142 HydrophobicContact CD1-CG 3.97Å; Q142-R144 VanDerWaalsContact CD-NE 3.28Å; Q142-R144 VanDerWaalsContact NE2-NH2 3.12Å; Q142-E386 PolarHBondContact OE1-OE1 3.4Å
143I97.3Very high96.7Very high53 Ų5349.2 Ų49.227%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-110.9113.3175.9-57.7-178.9000107.6F112 G129 L130 V141F112-I143 HydrophobicContact CD2-CD1 4.3Å; F112-I143 HydrophobicContact CE2-CD1 4.45Å; F112-I143 HydrophobicContact CG-CD1 4.46Å; G129-I143 CarbonylContact C-O 3.41Å; G129-I143 WeakPolarHBondContact CA-O 3.06Å; L130-I143 HydrophobicContact CD1-CB 4.15Å; L130-I143 HydrophobicContact CD1-CD1 4.15Å; L130-I143 HydrophobicContact CD1-CG1 4.27Å; L130-I143 HydrophobicContact CG-CB 4.39Å; L130-I143 PolarHBondContact N-O 3.39Å; L130-I143 PolarHBondContact O-N 3.23Å; V141-I143 HydrophobicContact CG1-CG1 4.03Å
144R96.7Very high96.7Very high98 Ų9848.7 Ų48.737%0.3728%0.28SS..EExtended strand (participates in β ladder)trans-81.1130.9173.7-58.8-55.1-166.6121.8-9.3109.7Q142 E386Q142-R144 VanDerWaalsContact CD-NE 3.28Å; Q142-R144 VanDerWaalsContact NE2-NH2 3.12Å; R144-E386 IonicContact CZ-OE1 4Å; R144-E386 VanDerWaalsContact NH2-CD 3.28Å; R144-E386 IonicContact NH2-OE1 2.72Å; R144-E386 PolarHBondContact NH2-OE1 3.17Å
145A97.2Very high96.7Very high28 Ų2848.2 Ų48.223%0.23128%0.278CS..  trans-149.3145.4179.700000111.3R128 G129 A147 V148R128-A145 CarbonylContact C-O 3.5Å; R128-A145 WeakPolarHBondContact CA-O 3.36Å; R128-A145 PolarHBondContact O-N 2.87Å; R128-A145 VanDerWaalsContact O-N 3.07Å; G129-A145 PolarHBondContact N-O 2.63Å; A145-A147 WeakPolarHBondContact CB-O 3.36Å; A145-V148 HydrophobicContact CB-CG2 4.2Å
146N97Very high96.8Very high72 Ų7247.1 Ų47.139%0.38527%0.273SS..SBendtrans-88.6-10.1175.6-74.4-12.3000113.4A374 A377N146-A374 HydrophobicContact CB-CB 4.07Å; N146-A374 PolarHBondContact ND2-O 3.02Å; N146-A377 HydrophobicContact CB-CB 3.56Å
147A98.4Very high96.9Very high21 Ų2147.1 Ų47.117%0.17427%0.268CS..  trans-150146.9171.700000109A145 G333 F335 A370 A374A145-A147 WeakPolarHBondContact CB-O 3.36Å; A147-G333 CarbonylContact C-O 3.46Å; A147-G333 VanDerWaalsContact CA-O 3.25Å; A147-G333 WeakPolarHBondContact CA-O 3.32Å; A147-F335 HydrophobicContact CB-CE2 4.23Å; A147-A370 HydrophobicContact CB-CB 3.9Å; A147-A370 WeakPolarHBondContact CB-O 3.35Å; A147-A374 HydrophobicContact CB-CB 4.18Å
148V98.8Very high97.1Very high19 Ų1941.5 Ų41.512%0.11524%0.242CC..EExtended strand (participates in β ladder)trans-134.5130.5178.2176.20000108V127 A145 G333 L334 F335V127-V148 HydrophobicContact CG1-CB 4.24Å; V127-V148 HydrophobicContact CG1-CG2 4.11Å; V127-V148 HydrophobicContact CG2-CB 4.07Å; V127-V148 HydrophobicContact CG2-CG2 3.65Å; A145-V148 HydrophobicContact CB-CG2 4.2Å; V148-G333 PolarHBondContact N-O 2.85Å; V148-L334 HydrophobicContact CB-CD1 4.04Å; V148-L334 HydrophobicContact CG1-CD1 4.08Å; V148-F335 PolarHBondContact O-N 3.29Å
149V98.8Very high97.3Very high61 Ų6140.5 Ų40.537%0.3723%0.23SC..EExtended strand (participates in β ladder)trans-109.7115.2174.6-174.10000108.9F335 V337 A366 A370V149-F335 HydrophobicContact CB-CB 4.42Å; V149-F335 HydrophobicContact CG1-CB 4.3Å; V149-F335 HydrophobicContact CG2-CB 4.11Å; V149-F335 HydrophobicContact CG2-CD2 4.47Å; V149-V337 HydrophobicContact CG1-CG1 4.41Å; V149-V337 HydrophobicContact CG1-CG2 3.89Å; V149-A366 HydrophobicContact CG1-CB 4.18Å; V149-A370 HydrophobicContact CG2-CB 3.83Å
150M98.6Very high97.1Very high9 Ų943.1 Ų43.14%0.04423%0.233CC..EExtended strand (participates in β ladder)trans-80.3123.4171.8-71.5-166-95.700110.5A176 I321 L334 F335 A336 V337 C340M150-A176 HydrophobicContact CE-CB 3.66Å; M150-A176 HydrophobicContact SD-CB 4.48Å; M150-I321 HydrophobicContact CB-CD1 4.3Å; M150-I321 HydrophobicContact CE-CD1 3.74Å; M150-I321 HydrophobicContact SD-CD1 3.72Å; M150-L334 HydrophobicContact CE-CD1 3.52Å; M150-L334 HydrophobicContact CE-CD2 3.62Å; M150-L334 HydrophobicContact CE-CG 3.66Å; M150-L334 HydrophobicContact CG-CD1 4.26Å; M150-F335 PolarHBondContact N-O 2.92Å; M150-A336 HydrophobicContact CB-CB 4.14Å; M150-A336 CarbonylContact O-C 3.57Å; M150-A336 WeakPolarHBondContact O-CA 3.18Å; M150-V337 PolarHBondContact O-N 2.86Å; M150-C340 PolarHBondContact O-SG 2.7Å; M150-C340 VanDerWaalsContact O-SG 3.41Å
151A97.3Very high96.8Very high74 Ų7443.1 Ų43.161%0.61223%0.23SC*.  trans-136.845.9175.800000110.2V337A151-V337 HydrophobicContact CB-CG2 3.9Å
152T96.8Very high96.7Very high61 Ų6141.6 Ų41.637%0.37422%0.22SC..  trans-87.3-3.2-165.151.10000114.2G172 C340T152-G172 WeakPolarHBondContact OG1-CA 3.4Å; T152-C340 VanDerWaalsContact OG1-CB 3.31Å; T152-C340 WeakPolarHBondContact OG1-CB 3.39Å
153G96Very high96.6Very high21 Ų2139.2 Ų39.222%0.21621%0.21CC..  trans80.9174.5-177.700000113.6C340G153-C340 WeakPolarHBondContact O-CA 3.34Å; G153-C340 WeakPolarHBondContact O-CB 3.49Å; G153-C340 PolarHBondContact O-N 3.41Å
154G96.9Very high96.4Very high0 Ų037 Ų370%020%0.198CC..  trans-71.5-164-175.500000115.1V168 G170 E339G154-V168 CarbonylContact O-C 3.54Å; G154-V168 WeakPolarHBondContact O-CG1 3.31Å; G154-G170 PolarHBondContact O-N 2.92Å; G154-G170 VanDerWaalsContact O-N 3.15Å; G154-E339 VanDerWaalsContact CA-CG 3.46Å
155A97.6Very high96.2Very high0 Ų033.4 Ų33.40%019%0.192CC..  trans-118.325.9179.200000113R157 V158 V168 M173 T317 V474 M478A155-R157 PolarHBondContact O-N 3.08Å; A155-V158 VanDerWaalsContact O-CG2 3.31Å; A155-V158 WeakPolarHBondContact O-CG2 3.35Å; A155-V158 PolarHBondContact O-N 3.46Å; A155-V158 VanDerWaalsContact O-N 3.1Å; A155-V168 CarbonylContact C-O 3.59Å; A155-M173 HydrophobicContact CB-CE 4.48Å; A155-M173 HydrophobicContact CB-SD 3.97Å; A155-T317 PolarHBondContact N-OG1 2.98Å; A155-V474 HydrophobicContact CB-CG1 3.53Å; A155-M478 HydrophobicContact CB-CE 3.85Å
156G96.3Very high95.9Very high4 Ų434.4 Ų34.44%0.04121%0.205CC..G310 helixtrans-58-20.6-174.500000115.2V158 Y159 N162 V168G156-V158 PolarHBondContact O-N 3.4Å; G156-Y159 PolarHBondContact O-N 3.22Å; G156-N162 WeakPolarHBondContact O-CB 3.44Å; G156-N162 PolarHBondContact O-ND2 3.29Å; G156-V168 PolarHBondContact N-O 3.27Å
157R96.3Very high95.7Very high100 Ų10034.8 Ų34.838%0.37721%0.206SC..G310 helixtrans-70.5-7.6177.2-72.5-75.9168.4177.9-3.1114.8A155 Y159 N164 G165 V168 T169A155-R157 PolarHBondContact O-N 3.08Å; R157-Y159 PolarHBondContact O-N 3.12Å; R157-N164 PolarHBondContact NH2-O 3.27Å; R157-G165 PolarHBondContact NE-O 3.34Å; R157-G165 PolarHBondContact NH2-O 2.83Å; R157-V168 WeakPolarHBondContact CB-O 3.35Å; R157-V168 HydrophobicContact CG-CB 4.48Å; R157-V168 WeakPolarHBondContact CG-O 3.35Å; R157-V168 PolarHBondContact N-O 2.98Å; R157-T169 HydrophobicContact CB-CG2 4.31Å; R157-T169 HydrophobicContact CG-CG2 4.35Å
158V98.1Very high95.6Very high1 Ų133.9 Ų33.91%0.00620%0.199CC..G310 helixtrans-72.2-10.8168.8-520000113.1A155 G156 M415 G416 M419 A475 M478A155-V158 VanDerWaalsContact O-CG2 3.31Å; A155-V158 WeakPolarHBondContact O-CG2 3.35Å; A155-V158 PolarHBondContact O-N 3.46Å; A155-V158 VanDerWaalsContact O-N 3.1Å; G156-V158 PolarHBondContact O-N 3.4Å; V158-M415 HydrophobicContact CB-CE 4.39Å; V158-M415 HydrophobicContact CG1-CE 4.33Å; V158-M415 HydrophobicContact CG1-SD 4.44Å; V158-G416 WeakPolarHBondContact O-CA 3.29Å; V158-M419 HydrophobicContact CB-CG 4.45Å; V158-M419 HydrophobicContact CG2-CE 4.22Å; V158-M419 HydrophobicContact CG2-CG 4.44Å; V158-M419 VanDerWaalsContact O-CB 3.29Å; V158-M419 WeakPolarHBondContact O-CB 3.02Å; V158-M419 WeakPolarHBondContact O-CG 3.36Å; V158-A475 HydrophobicContact CB-CB 4.22Å; V158-A475 HydrophobicContact CG1-CB 4.22Å; V158-M478 HydrophobicContact CG2-CE 4.14Å; V158-M478 HydrophobicContact CG2-SD 3.71Å
159Y97.2Very high95.5Very high4 Ų433.7 Ų33.72%0.01620%0.197CC..SBendtrans-104.6141.7174.2-66-90.5000111.3G156 R157 N162 V189 A314 M419 C423 M478G156-Y159 PolarHBondContact O-N 3.22Å; R157-Y159 PolarHBondContact O-N 3.12Å; Y159-N162 PolarHBondContact O-ND2 2.84Å; Y159-V189 HydrophobicContact CE2-CB 4.44Å; Y159-V189 HydrophobicContact CE2-CG1 3.92Å; Y159-V189 HydrophobicContact CE2-CG2 4.1Å; Y159-A314 HydrophobicContact CD1-CB 4.24Å; Y159-A314 HydrophobicContact CD2-CB 3.9Å; Y159-A314 HydrophobicContact CG-CB 3.7Å; Y159-M419 HydrophobicContact CD1-CB 3.94Å; Y159-M419 HydrophobicContact CE1-CB 3.93Å; Y159-M419 HydrophobicContact CE1-CE 4.34Å; Y159-M419 WeakPolarHBondContact CE1-O 3.48Å; Y159-M419 HydrophobicContact CE2-CE 4.36Å; Y159-M419 HydrophobicContact CG-CB 4.46Å; Y159-C423 HydrophobicContact CE1-CB 4.35Å; Y159-C423 PolarHBondContact OH-O 2.93Å; Y159-M478 HydrophobicContact CE2-SD 3.89Å
160R92Very high95.4Very high115 Ų11530.9 Ų30.943%0.43418%0.181SC..SBendtrans-65.5-40.9-180179.661.2-177.590.4-3.4113.2G416 L417R160-G416 PolarHBondContact N-O 3.34Å; R160-L417 HydrophobicContact CG-CD2 4.45Å
161Y90.1Very high95.3Very high59 Ų5931.4 Ų31.423%0.23118%0.184CC..SBendtrans-112.196.9179.2-71.8-68.9000110.5A314 E420Y161-A314 PolarHBondContact O-N 3.05Å; Y161-A314 VanDerWaalsContact O-N 3.11Å; Y161-E420 PolarHBondContact N-OE2 2.94Å
162N95.4Very high95.4Very high9 Ų927.9 Ų27.95%0.04816%0.155CC..BIsolated β-bridgetrans-134.2159.2-177.967.878.6000111.4G156 Y159 N164 A314G156-N162 WeakPolarHBondContact O-CB 3.44Å; G156-N162 PolarHBondContact O-ND2 3.29Å; Y159-N162 PolarHBondContact O-ND2 2.84Å; N162-N164 PolarHBondContact O-N 3.36Å; N162-N164 WeakPolarHBondContact OD1-CA 3.31Å; N162-N164 VanDerWaalsContact OD1-CB 3.31Å; N162-N164 WeakPolarHBondContact OD1-CB 3.35Å; N162-N164 PolarHBondContact OD1-N 3.01Å; N162-N164 PolarHBondContact OD1-O 3.45Å; N162-A314 CarbonylContact C-O 3.58Å; N162-A314 WeakPolarHBondContact CA-O 3.49Å; N162-A314 HydrophobicContact CB-CB 4.18Å; N162-A314 WeakPolarHBondContact CB-O 2.99Å
163T95.6Very high95.5Very high14 Ų1425 Ų259%0.08614%0.137CC..SBendtrans-82.2-2.6177.8650000113.7H4 G200 L202 T313 A314 H315H4-T163 PolarHBondContact CE1-O 2.91Å; T163-G200 WeakPolarHBondContact CA-O 3.43Å; T163-G200 WeakPolarHBondContact CG2-O 3.23Å; T163-L202 HydrophobicContact CG2-CB 4.08Å; T163-L202 HydrophobicContact CG2-CD1 4.42Å; T163-T313 VanDerWaalsContact CG2-OG1 3.22Å; T163-T313 WeakPolarHBondContact CG2-OG1 3.44Å; T163-A314 PolarHBondContact N-O 3.31Å; T163-H315 HydrophobicContact CG2-CB 4.18Å; T163-H315 PolarHBondContact OG1-ND1 3.18Å
164N94.6Very high95.6Very high7 Ų724 Ų244%0.03713%0.127CC..  trans-86.9153.6-159.5-74.4-77.1000113H4 R157 N162 V168 H315H4-N164 PolarHBondContact CD2-OD1 3.35Å; H4-N164 PolarHBondContact NE2-OD1 3.38Å; R157-N164 PolarHBondContact NH2-O 3.27Å; N162-N164 PolarHBondContact O-N 3.36Å; N162-N164 WeakPolarHBondContact OD1-CA 3.31Å; N162-N164 VanDerWaalsContact OD1-CB 3.31Å; N162-N164 WeakPolarHBondContact OD1-CB 3.35Å; N162-N164 PolarHBondContact OD1-N 3.01Å; N162-N164 PolarHBondContact OD1-O 3.45Å; N164-V168 HydrophobicContact CB-CB 3.78Å; N164-V168 HydrophobicContact CB-CG1 4.09Å; N164-V168 HydrophobicContact CB-CG2 3.88Å; N164-H315 PolarHBondContact ND2-O 3.43Å
165G91.4Very high95.6Very high22 Ų2224.4 Ų24.423%0.22713%0.129CC..  trans-62.8163.1170.400000112H4 R157 I167 V168H4-G165 PolarHBondContact CE1-N 3.21Å; H4-G165 PolarHBondContact ND1-N 3.48Å; R157-G165 PolarHBondContact NE-O 3.34Å; R157-G165 PolarHBondContact NH2-O 2.83Å; G165-I167 PolarHBondContact O-N 2.96Å; G165-I167 VanDerWaalsContact O-N 3.08Å; G165-V168 PolarHBondContact O-N 3.36Å
166G91.3Very high95.7Very high50 Ų5024.4 Ų24.452%0.51513%0.129SC..THydrogen-bonded Turntrans-55.9-25.6-179.800000114.5
167I92Very high95.8Very high79 Ų7924.3 Ų24.341%0.40513%0.128SC..THydrogen-bonded Turntrans-91.96.1-171.861.9173.3000114.7R2 G165 T169R2-I167 WeakPolarHBondContact O-CD1 3.43Å; G165-I167 PolarHBondContact O-N 2.96Å; G165-I167 VanDerWaalsContact O-N 3.08Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 3.49Å
168V95.9Very high95.8Very high3 Ų322.8 Ų22.82%0.01813%0.132CC..  trans-97.463.9-174.9-170.90000109.7H4 G154 A155 G156 R157 N164 G165H4-V168 HydrophobicContact CB-CG2 3.74Å; G154-V168 CarbonylContact O-C 3.54Å; G154-V168 WeakPolarHBondContact O-CG1 3.31Å; A155-V168 CarbonylContact C-O 3.59Å; G156-V168 PolarHBondContact N-O 3.27Å; R157-V168 WeakPolarHBondContact CB-O 3.35Å; R157-V168 HydrophobicContact CG-CB 4.48Å; R157-V168 WeakPolarHBondContact CG-O 3.35Å; R157-V168 PolarHBondContact N-O 2.98Å; N164-V168 HydrophobicContact CB-CB 3.78Å; N164-V168 HydrophobicContact CB-CG1 4.09Å; N164-V168 HydrophobicContact CB-CG2 3.88Å; G165-V168 PolarHBondContact O-N 3.36Å
169T96.5Very high95.7Very high14 Ų1425.2 Ų25.29%0.08614%0.143CC..SBendtrans-98.3-10.3-163.841.40000114.1R157 I167 D171 E467R157-T169 HydrophobicContact CB-CG2 4.31Å; R157-T169 HydrophobicContact CG-CG2 4.35Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 3.49Å; T169-D171 WeakPolarHBondContact CB-OD1 3.31Å; T169-D171 PolarHBondContact OG1-OD1 3.11Å; T169-D171 PolarHBondContact OG1-OD2 3.11Å; T169-E467 HydrophobicContact CG2-CB 4.01Å; T169-E467 HydrophobicContact CG2-CG 4.06Å
170G97.9Very high95.7Very high2 Ų227 Ų272%0.02116%0.164CC..  trans83.513.5-179.100000114.1G154 G172 M173 G174G154-G170 PolarHBondContact O-N 2.92Å; G154-G170 VanDerWaalsContact O-N 3.15Å; G170-G172 PolarHBondContact O-N 3.27Å; G170-M173 WeakPolarHBondContact O-CA 3.24Å; G170-M173 WeakPolarHBondContact O-CB 3.44Å; G170-M173 PolarHBondContact O-N 3.45Å; G170-G174 PolarHBondContact O-N 3.37Å
171D97.2Very high96Very high21 Ų2121.6 Ų21.611%0.11214%0.143CC..Hα-helixtrans-60.3-41.8-172.8-51.8-24.9000112.8T169 M173 G174 M175 E467 H470T169-D171 WeakPolarHBondContact CB-OD1 3.31Å; T169-D171 PolarHBondContact OG1-OD1 3.11Å; T169-D171 PolarHBondContact OG1-OD2 3.11Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 3.36Å; D171-G174 PolarHBondContact O-N 3.24Å; D171-M175 WeakPolarHBondContact O-CG 3.5Å; D171-M175 PolarHBondContact O-N 3.4Å; D171-E467 WeakPolarHBondContact OD1-CA 3.35Å; D171-H470 IonicContact OD1-CD2 3.46Å
172G98.3Very high96.4Very high0 Ų018.8 Ų18.80%013%0.132CC..Hα-helixtrans-63.4-38.7175.700000112.9T152 G170 A176T152-G172 WeakPolarHBondContact OG1-CA 3.4Å; G170-G172 PolarHBondContact O-N 3.27Å; G172-A176 WeakPolarHBondContact O-CB 3.23Å; G172-A176 PolarHBondContact O-N 2.99Å
173M98.8Very high96.6Very high0 Ų018.3 Ų18.30%013%0.13CC..Hα-helixtrans-62.5-45.9173-62.3-179.5-174.200110.3A155 G170 D171 M175 A176 L177 L183 M186 T317 I321 E339 V474A155-M173 HydrophobicContact CB-CE 4.48Å; A155-M173 HydrophobicContact CB-SD 3.97Å; G170-M173 WeakPolarHBondContact O-CA 3.24Å; G170-M173 WeakPolarHBondContact O-CB 3.44Å; G170-M173 PolarHBondContact O-N 3.45Å; D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 3.36Å; M173-M175 PolarHBondContact O-N 2.92Å; M173-A176 PolarHBondContact O-N 3.41Å; M173-L177 VanDerWaalsContact O-CB 3.22Å; M173-L177 WeakPolarHBondContact O-CB 3.34Å; M173-L177 PolarHBondContact O-N 2.75Å; M173-L183 HydrophobicContact CB-CD1 3.97Å; M173-L183 HydrophobicContact CB-CD2 3.71Å; M173-L183 HydrophobicContact CG-CD2 4.2Å; M173-M186 HydrophobicContact SD-CE 3.98Å; M173-M186 HydrophobicContact SD-SD 4.44Å; M173-T317 HydrophobicContact CE-CG2 4.02Å; M173-I321 HydrophobicContact CB-CG1 4.49Å; M173-I321 HydrophobicContact CG-CG1 4.27Å; M173-E339 WeakPolarHBondContact CE-O 3.45Å; M173-V474 HydrophobicContact CB-CG2 3.83Å; M173-V474 HydrophobicContact SD-CG1 4.11Å
174G98.2Very high96.8Very high1 Ų118 Ų181%0.0113%0.127CC..Hα-helixtrans-61.8-41.4178.800000113.5G170 D171 S178G170-G174 PolarHBondContact O-N 3.37Å; D171-G174 PolarHBondContact O-N 3.24Å; G174-S178 PolarHBondContact O-N 3.02Å; G174-S178 VanDerWaalsContact O-N 3.08Å; G174-S178 PolarHBondContact O-OG 3.25Å
175M98.2Very high97Very high7 Ų717.9 Ų17.93%0.03413%0.126CC..Hα-helixtrans-65.6-48.1175.3-73.6-173.8-72.600111.5V117 D171 M173 L177 S178 H179V117-M175 HydrophobicContact CB-CE 4.36Å; V117-M175 HydrophobicContact CB-SD 4.47Å; V117-M175 HydrophobicContact CG1-CE 4.03Å; V117-M175 HydrophobicContact CG1-SD 3.73Å; D171-M175 WeakPolarHBondContact O-CG 3.5Å; D171-M175 PolarHBondContact O-N 3.4Å; M173-M175 PolarHBondContact O-N 2.92Å; M175-L177 VanDerWaalsContact C-N 3.27Å; M175-L177 PolarHBondContact O-N 3.27Å; M175-S178 PolarHBondContact O-N 2.82Å; M175-S178 PolarHBondContact O-OG 3Å; M175-H179 PolarHBondContact O-CD2 2.98Å; M175-H179 VanDerWaalsContact O-CD2 3.29Å; M175-H179 PolarHBondContact O-N 3.37Å
176A98.6Very high97.3Very high0 Ų016.8 Ų16.80%012%0.115CC..Hα-helixtrans-59.4-42.3178.100000111.6M150 G172 M173 S178 H179 G180 V181 I321M150-A176 HydrophobicContact CE-CB 3.66Å; M150-A176 HydrophobicContact SD-CB 4.48Å; G172-A176 WeakPolarHBondContact O-CB 3.23Å; G172-A176 PolarHBondContact O-N 2.99Å; M173-A176 PolarHBondContact O-N 3.41Å; A176-S178 PolarHBondContact O-N 3.06Å; A176-H179 CarbonylContact O-C 3.52Å; A176-H179 PolarHBondContact O-N 3.5Å; A176-H179 VanDerWaalsContact O-N 3.12Å; A176-G180 PolarHBondContact O-N 3.01Å; A176-V181 HydrophobicContact CB-CB 4.05Å; A176-V181 WeakPolarHBondContact O-CB 3.34Å; A176-V181 PolarHBondContact O-N 2.83Å; A176-I321 HydrophobicContact CB-CB 4.45Å; A176-I321 HydrophobicContact CB-CD1 4.05Å; A176-I321 HydrophobicContact CB-CG1 3.71Å; A176-I321 HydrophobicContact CB-CG2 3.9Å
177L98.3Very high97.6Very high3 Ų314.5 Ų14.52%0.0169%0.091CC..Hα-helixtrans-61.1-41178-17664000112.2M173 M175 H179 G180 V181 L183 N473 R515M173-L177 VanDerWaalsContact O-CB 3.22Å; M173-L177 WeakPolarHBondContact O-CB 3.34Å; M173-L177 PolarHBondContact O-N 2.75Å; M175-L177 VanDerWaalsContact C-N 3.27Å; M175-L177 PolarHBondContact O-N 3.27Å; L177-H179 PolarHBondContact O-N 2.86Å; L177-G180 PolarHBondContact O-N 3.24Å; L177-G180 VanDerWaalsContact O-N 3.11Å; L177-V181 WeakPolarHBondContact CA-O 3.36Å; L177-L183 HydrophobicContact CB-CG 4.37Å; L177-L183 HydrophobicContact CD1-CG 4.28Å; L177-L183 HydrophobicContact CD2-CD1 4.11Å; L177-L183 HydrophobicContact CD2-CG 4.48Å; L177-N473 HydrophobicContact CD2-CB 4.31Å; L177-R515 HydrophobicContact CD1-CB 3.86Å; L177-R515 HydrophobicContact CD2-CB 4.09Å; L177-R515 HydrophobicContact CG-CB 3.73Å
178S96.5Very high97.9Very high67 Ų6710.7 Ų10.747%0.4697%0.071SC..Hα-helixtrans-68.1-17.8177.257.40000114G174 M175 A176G174-S178 PolarHBondContact O-N 3.02Å; G174-S178 VanDerWaalsContact O-N 3.08Å; G174-S178 PolarHBondContact O-OG 3.25Å; M175-S178 PolarHBondContact O-N 2.82Å; M175-S178 PolarHBondContact O-OG 3Å; A176-S178 PolarHBondContact O-N 3.06Å
179H97Very high98.1Very high52 Ų5210.7 Ų10.724%0.2417%0.071CC..THydrogen-bonded Turntrans-101.115.6173.9-70.9-90.2000113.1D119 I120 V122 M175 A176 L177 I331D119-H179 IonicContact OD1-CD2 3.23Å; D119-H179 PolarHBondContact OD1-CD2 3.2Å; D119-H179 IonicContact OD1-CE1 3.79Å; D119-H179 IonicContact OD1-NE2 3.8Å; D119-H179 PolarHBondContact OD1-NE2 3.29Å; D119-H179 IonicContact OD2-NE2 3.86Å; D119-H179 PolarHBondContact OD2-NE2 2.97Å; I120-H179 HydrophobicContact CD1-CB 4.21Å; I120-H179 WeakPolarHBondContact CG1-CD2 3.4Å; I120-H179 WeakPolarHBondContact CG1-NE2 3.41Å; I120-H179 PolarHBondContact O-CE1 2.63Å; I120-H179 PolarHBondContact O-NE2 3.42Å; V122-H179 HydrophobicContact CG2-CB 4.32Å; V122-H179 WeakPolarHBondContact CG2-ND1 3.33Å; M175-H179 PolarHBondContact O-CD2 2.98Å; M175-H179 VanDerWaalsContact O-CD2 3.29Å; M175-H179 PolarHBondContact O-N 3.37Å; A176-H179 CarbonylContact O-C 3.52Å; A176-H179 PolarHBondContact O-N 3.5Å; A176-H179 VanDerWaalsContact O-N 3.12Å; L177-H179 PolarHBondContact O-N 2.86Å; H179-I331 HydrophobicContact CB-CD1 3.7Å
180G96.5Very high98.1Very high43 Ų4310 Ų1044%0.4437%0.067SC..THydrogen-bonded Turntrans83.911.2171.800000115.4A176 L177A176-G180 PolarHBondContact O-N 3.01Å; L177-G180 PolarHBondContact O-N 3.24Å; L177-G180 VanDerWaalsContact O-N 3.11Å
181V98.5Very high98.1Very high0 Ų010.3 Ų10.30%07%0.068CC..PPolyproline II helixtrans-83124169.8-174.50000108.8A176 L177 I321 T329 I331 L334A176-V181 HydrophobicContact CB-CB 4.05Å; A176-V181 WeakPolarHBondContact O-CB 3.34Å; A176-V181 PolarHBondContact O-N 2.83Å; L177-V181 WeakPolarHBondContact CA-O 3.36Å; V181-I321 HydrophobicContact CG1-CG2 3.68Å; V181-T329 HydrophobicContact CG1-CG2 4.23Å; V181-I331 HydrophobicContact CG2-CD1 3.57Å; V181-I331 HydrophobicContact CG2-CG1 3.85Å; V181-L334 HydrophobicContact CG2-CD2 4.42Å
182P98.7Very high98.1Very high0 Ų09.3 Ų9.30%06%0.062CC..PPolyproline II helixtrans-70.4152.5-179.128.1-32.6000111.9E322 L512 A513 F514P182-E322 HydrophobicContact CG-CB 4Å; P182-E322 PolarHBondContact O-N 3.27Å; P182-E322 VanDerWaalsContact O-N 3.08Å; P182-L512 HydrophobicContact CB-CB 4.1Å; P182-L512 HydrophobicContact CG-CD2 4.42Å; P182-A513 CarbonylContact C-O 3.51Å; P182-A513 VanDerWaalsContact CA-O 3.24Å; P182-A513 WeakPolarHBondContact CA-O 3.49Å; P182-F514 HydrophobicContact CB-CD1 3.92Å; P182-F514 HydrophobicContact CB-CD2 4.08Å; P182-F514 HydrophobicContact CB-CE1 3.62Å; P182-F514 HydrophobicContact CB-CE2 3.79Å; P182-F514 HydrophobicContact CB-CG 4.15Å; P182-F514 HydrophobicContact CB-CZ 3.55Å; P182-F514 HydrophobicContact CG-CD1 4.43Å; P182-F514 HydrophobicContact CG-CE1 3.68Å; P182-F514 HydrophobicContact CG-CE2 4.23Å; P182-F514 HydrophobicContact CG-CZ 3.56Å
183L98.9Very high98Very high0 Ų09.4 Ų9.40%06%0.063CC..EExtended strand (participates in β ladder)trans-91.5119.7164.4-56.7-175.6000109.2M173 L177 M186 G320 I321 V474 C477 A513M173-L183 HydrophobicContact CB-CD1 3.97Å; M173-L183 HydrophobicContact CB-CD2 3.71Å; M173-L183 HydrophobicContact CG-CD2 4.2Å; L177-L183 HydrophobicContact CB-CG 4.37Å; L177-L183 HydrophobicContact CD1-CG 4.28Å; L177-L183 HydrophobicContact CD2-CD1 4.11Å; L177-L183 HydrophobicContact CD2-CG 4.48Å; L183-M186 HydrophobicContact CB-CG 3.53Å; L183-M186 HydrophobicContact CB-SD 3.77Å; L183-M186 HydrophobicContact CD1-CE 4.44Å; L183-M186 HydrophobicContact CD1-CG 4.42Å; L183-M186 HydrophobicContact CD1-SD 4.29Å; L183-G320 CarbonylContact C-O 3.45Å; L183-G320 VanDerWaalsContact CA-O 3.31Å; L183-G320 WeakPolarHBondContact CA-O 3.38Å; L183-I321 HydrophobicContact CD2-CG1 4.17Å; L183-V474 HydrophobicContact CD1-CG1 4.47Å; L183-V474 HydrophobicContact CD1-CG2 4.11Å; L183-C477 HydrophobicContact CD1-CB 4.33Å; L183-A513 PolarHBondContact N-O 2.87Å; L183-A513 PolarHBondContact O-N 3.11Å
184R98.8Very high97.9Very high8 Ų89.4 Ų9.43%0.036%0.063CC..EExtended strand (participates in β ladder)trans-87.7141.4179.5-170174.274.2176.5-8.8110.8E38 M186 G319 G320 E322 S342 H510 T511 L512E38-R184 IonicContact OE1-NH1 2.75Å; E38-R184 PolarHBondContact OE1-NH1 3Å; R184-M186 VanDerWaalsContact C-N 3.31Å; R184-M186 PolarHBondContact O-N 3.13Å; R184-G319 CarbonylContact O-C 3.55Å; R184-G319 WeakPolarHBondContact O-CA 3.24Å; R184-G320 PolarHBondContact N-O 2.94Å; R184-G320 PolarHBondContact O-N 2.79Å; R184-E322 HydrophobicContact CB-CB 4.33Å; R184-S342 PolarHBondContact NE-OG 3.32Å; R184-S342 PolarHBondContact NH2-O 2.96Å; R184-S342 PolarHBondContact NH2-OG 2.81Å; R184-H510 HydrophobicContact CG-CB 3.85Å; R184-T511 CarbonylContact C-O 3.59Å; R184-T511 VanDerWaalsContact CA-O 3.23Å; R184-T511 WeakPolarHBondContact CA-O 3.32Å; R184-L512 HydrophobicContact CB-CD2 3.79Å; R184-L512 HydrophobicContact CG-CD2 3.67Å
185D98.7Very high97.9Very high3 Ų39.4 Ų9.42%0.0166%0.063CC..  trans60.731.5163-73.9-7.7000115.5E187 F188 H510 T511D185-E187 WeakPolarHBondContact CA-OE2 3.44Å; D185-E187 PolarHBondContact O-N 2.98Å; D185-E187 VanDerWaalsContact O-N 3.16Å; D185-F188 HydrophobicContact CB-CD2 3.83Å; D185-F188 HydrophobicContact CB-CE2 4.39Å; D185-F188 PolarHBondContact O-N 3Å; D185-F188 VanDerWaalsContact O-N 3.07Å; D185-H510 VanDerWaalsContact OD1-CA 3.29Å; D185-H510 WeakPolarHBondContact OD1-CA 3.18Å; D185-H510 IonicContact OD1-CG 3.94Å; D185-H510 IonicContact OD1-ND1 2.76Å; D185-H510 PolarHBondContact OD1-ND1 2.71Å; D185-H510 IonicContact OD2-CE1 2.65Å; D185-H510 PolarHBondContact OD2-CE1 3.08Å; D185-H510 IonicContact OD2-CG 3.24Å; D185-H510 IonicContact OD2-ND1 3.95Å; D185-H510 PolarHBondContact OD2-ND1 2.82Å; D185-T511 PolarHBondContact N-O 3.22Å; D185-T511 PolarHBondContact OD1-N 3.38Å
186M98.7Very high97.8Very high0 Ų09 Ų90%06%0.061CC..THydrogen-bonded Turntrans-66.7-15.2-175-63.6-53.7-58.800114.5M173 L183 R184 F188 T317 V474 C477 M478M173-M186 HydrophobicContact SD-CE 3.98Å; M173-M186 HydrophobicContact SD-SD 4.44Å; L183-M186 HydrophobicContact CB-CG 3.53Å; L183-M186 HydrophobicContact CB-SD 3.77Å; L183-M186 HydrophobicContact CD1-CE 4.44Å; L183-M186 HydrophobicContact CD1-CG 4.42Å; L183-M186 HydrophobicContact CD1-SD 4.29Å; R184-M186 VanDerWaalsContact C-N 3.31Å; R184-M186 PolarHBondContact O-N 3.13Å; M186-F188 PolarHBondContact O-N 2.74Å; M186-T317 HydrophobicContact CE-CG2 3.87Å; M186-T317 HydrophobicContact SD-CG2 4.45Å; M186-V474 HydrophobicContact CE-CG1 3.65Å; M186-C477 HydrophobicContact CB-CB 4.45Å; M186-C477 HydrophobicContact CG-CB 4.23Å; M186-M478 HydrophobicContact CB-CB 4.49Å; M186-M478 HydrophobicContact CB-CG 4.03Å; M186-M478 HydrophobicContact CE-CE 3.5Å; M186-M478 VanDerWaalsContact CE-CE 3.5Å; M186-M478 HydrophobicContact CE-CG 3.72Å; M186-M478 HydrophobicContact CE-SD 4.5Å; M186-M478 WeakPolarHBondContact O-CG 3.41Å
187E98.4Very high97.5Very high1 Ų19.3 Ų9.31%0.0056%0.062CC..THydrogen-bonded Turntrans-69.5-17.3172.568.2-85.7-145.200113.2D185 V189 R427 S481 A482 R485 T511D185-E187 WeakPolarHBondContact CA-OE2 3.44Å; D185-E187 PolarHBondContact O-N 2.98Å; D185-E187 VanDerWaalsContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 3.03Å; E187-R427 VanDerWaalsContact O-CZ 3.27Å; E187-R427 PolarHBondContact O-NH1 2.74Å; E187-R427 PolarHBondContact O-NH2 2.67Å; E187-S481 WeakPolarHBondContact OE2-CB 3.37Å; E187-A482 HydrophobicContact CB-CB 4.16Å; E187-R485 HydrophobicContact CG-CB 4.5Å; E187-R485 IonicContact OE1-CZ 3.79Å; E187-R485 VanDerWaalsContact OE1-CZ 3.26Å; E187-R485 IonicContact OE1-NE 3.72Å; E187-R485 PolarHBondContact OE1-NE 2.89Å; E187-R485 IonicContact OE1-NH2 2.74Å; E187-R485 PolarHBondContact OE1-NH2 3.42Å; E187-T511 WeakPolarHBondContact OE1-CB 3.34Å; E187-T511 PolarHBondContact OE1-OG1 3.07Å
188F98.5Very high97.1Very high0 Ų010.5 Ų10.50%08%0.075CC..  trans-98.394.1-175.8-59.9-64.9000111.2L36 D185 M186 M318 A348 R485 R489 H492L36-F188 HydrophobicContact CD1-CE2 3.45Å; L36-F188 VanDerWaalsContact CD1-CE2 3.45Å; L36-F188 HydrophobicContact CD1-CZ 3.48Å; L36-F188 VanDerWaalsContact CD1-CZ 3.48Å; D185-F188 HydrophobicContact CB-CD2 3.83Å; D185-F188 HydrophobicContact CB-CE2 4.39Å; D185-F188 PolarHBondContact O-N 3Å; D185-F188 VanDerWaalsContact O-N 3.07Å; M186-F188 PolarHBondContact O-N 2.74Å; F188-M318 VanDerWaalsContact C-CE 3.42Å; F188-M318 HydrophobicContact CB-CB 4.14Å; F188-M318 HydrophobicContact CB-CE 3.71Å; F188-M318 WeakPolarHBondContact O-CE 3.42Å; F188-M318 PolarHBondContact O-N 2.86Å; F188-A348 HydrophobicContact CD1-CB 3.68Å; F188-A348 WeakPolarHBondContact CD1-O 3.21Å; F188-A348 HydrophobicContact CE1-CB 3.36Å; F188-A348 HydrophobicContact CE2-CB 4.32Å; F188-A348 HydrophobicContact CG-CB 4.28Å; F188-A348 HydrophobicContact CZ-CB 3.71Å; F188-R485 VanDerWaalsContact CZ-CZ 3.49Å; F188-R485 VanDerWaalsContact CZ-NE 3.33Å; F188-R489 HydrophobicContact CE1-CB 4.44Å; F188-H492 HydrophobicContact CD1-CB 3.7Å; F188-H492 HydrophobicContact CE1-CB 3.56Å
189V98.1Very high96.8Very high2 Ų29.7 Ų9.71%0.0127%0.07CC..EExtended strand (participates in β ladder)trans-114.8114.6171.7-179.70000109.4Y159 E187 A314 Y316 M478 A491Y159-V189 HydrophobicContact CE2-CB 4.44Å; Y159-V189 HydrophobicContact CE2-CG1 3.92Å; Y159-V189 HydrophobicContact CE2-CG2 4.1Å; E187-V189 PolarHBondContact O-N 3.03Å; V189-A314 HydrophobicContact CG1-CB 4.33Å; V189-Y316 CarbonylContact C-O 3.54Å; V189-Y316 WeakPolarHBondContact CA-O 3.48Å; V189-M478 HydrophobicContact CG2-CE 4.13Å; V189-M478 HydrophobicContact CG2-SD 4.07Å; V189-A491 WeakPolarHBondContact O-CB 3.5Å
190Q97.8Very high96.5Very high0 Ų07.2 Ų7.20%06%0.058CC..EExtended strand (participates in β ladder)trans-75135.1179.8173174.99400110R247 H315 Y316 M318 N349 R350Q190-R247 HydrophobicContact CG-CB 4.28Å; Q190-H315 WeakPolarHBondContact O-CA 3.06Å; Q190-H315 WeakPolarHBondContact O-CB 3.32Å; Q190-H315 PolarHBondContact O-N 3.07Å; Q190-Y316 PolarHBondContact N-O 2.91Å; Q190-Y316 PolarHBondContact O-N 3.44Å; Q190-M318 HydrophobicContact CB-CE 3.7Å; Q190-M318 HydrophobicContact CB-SD 3.35Å; Q190-M318 WeakPolarHBondContact CB-SD 2.86Å; Q190-M318 VanDerWaalsContact N-CE 3.26Å; Q190-M318 PolarHBondContact N-SD 3.45Å; Q190-N349 PolarHBondContact NE2-OD1 3.14Å; Q190-R350 PolarHBondContact NE2-O 3.18Å
191Y97.3Very high96.4Very high9 Ų97.1 Ų7.14%0.0355%0.047CC..EExtended strand (participates in β ladder)trans-94.6136.7165.9-82.4-118.5000109.7S251 P312 T313 A314 I425Y191-S251 PolarHBondContact O-OG 2.83Å; Y191-P312 HydrophobicContact CD1-CB 4.05Å; Y191-T313 CarbonylContact C-O 3.53Å; Y191-T313 VanDerWaalsContact CA-O 3.27Å; Y191-T313 WeakPolarHBondContact CA-O 3.37Å; Y191-A314 HydrophobicContact CE1-CB 4.38Å; Y191-A314 HydrophobicContact CE2-CB 4.11Å; Y191-I425 HydrophobicContact CD1-CD1 3.95Å; Y191-I425 HydrophobicContact CD1-CG1 3.66Å; Y191-I425 HydrophobicContact CD2-CG1 4.1Å; Y191-I425 HydrophobicContact CE1-CG1 4.05Å; Y191-I425 HydrophobicContact CE2-CG1 4.47Å; Y191-I425 HydrophobicContact CG-CD1 4.29Å; Y191-I425 HydrophobicContact CG-CG1 3.71Å
192H97Very high96.3Very high0 Ų08.1 Ų8.10%05%0.053CC..EExtended strand (participates in β ladder)trans-92131.6166.4-159.4-79000109T194 L202 R247 P312 T313 H315H192-T194 VanDerWaalsContact C-N 3.25Å; H192-T194 PolarHBondContact CE1-OG1 3.03Å; H192-T194 PolarHBondContact ND1-N 3.37Å; H192-T194 PolarHBondContact ND1-OG1 3.27Å; H192-T194 PolarHBondContact O-N 2.79Å; H192-L202 HydrophobicContact CB-CD1 3.88Å; H192-L202 VanDerWaalsContact CE1-CD1 3.44Å; H192-L202 WeakPolarHBondContact CE1-CD1 3.22Å; H192-L202 WeakPolarHBondContact ND1-CD1 3.34Å; H192-R247 PolarHBondContact CD2-NE 3.26Å; H192-P312 CarbonylContact O-C 3.57Å; H192-P312 VanDerWaalsContact O-CA 3.24Å; H192-P312 WeakPolarHBondContact O-CA 3.17Å; H192-T313 PolarHBondContact N-O 3.21Å; H192-T313 PolarHBondContact O-N 3.24Å; H192-H315 HydrophobicContact CB-CB 3.76Å; H192-H315 AromaticContact CD2-CD2 3.85Å; H192-H315 AromaticContact CD2-NE2 3.93Å
193P97Very high96.2Very high2 Ų28.1 Ų8.11%0.0135%0.053CC..EExtended strand (participates in β ladder)trans-71.7-15.1-172.126.8-37000115V250 R311P193-V250 HydrophobicContact CB-CB 3.98Å; P193-V250 HydrophobicContact CB-CG1 3.46Å; P193-V250 VanDerWaalsContact CB-CG1 3.46Å; P193-V250 HydrophobicContact CG-CB 3.96Å; P193-V250 HydrophobicContact CG-CG1 3.68Å; P193-R311 CarbonylContact C-O 3.37Å; P193-R311 CarbonylContact O-C 3.59Å
194T97.3Very high96Very high0 Ų08.2 Ų8.20%05%0.053CC..EExtended strand (participates in β ladder)trans-119.642.5-167.453.40000114H192 M203 L214 L274 V310H192-T194 VanDerWaalsContact C-N 3.25Å; H192-T194 PolarHBondContact CE1-OG1 3.03Å; H192-T194 PolarHBondContact ND1-N 3.37Å; H192-T194 PolarHBondContact ND1-OG1 3.27Å; H192-T194 PolarHBondContact O-N 2.79Å; T194-M203 WeakPolarHBondContact O-CB 3.13Å; T194-M203 PolarHBondContact O-N 3.19Å; T194-M203 PolarHBondContact OG1-O 3.43Å; T194-L214 HydrophobicContact CG2-CD2 4.14Å; T194-L274 HydrophobicContact CG2-CD2 4.36Å; T194-V310 HydrophobicContact CG2-CG2 4.24Å
195G96.9Very high95.7Very high0 Ų08 Ų80%05%0.052CC..EExtended strand (participates in β ladder)trans-78.6141.9170.400000112.1V310 R311G195-V310 CarbonylContact O-C 3.34Å; G195-V310 WeakPolarHBondContact O-CA 3.28Å; G195-R311 WeakPolarHBondContact CA-O 3.4Å; G195-R311 PolarHBondContact N-O 3.1Å; G195-R311 PolarHBondContact O-N 3.4Å
196L95.5Very high95.5Very high0 Ų07.8 Ų7.80%05%0.052CC..PPolyproline II helixtrans-68.7136.7175.8-68.6-175.9000110.9G200 I201 M203 V299 I308L196-G200 WeakPolarHBondContact O-CA 3.46Å; L196-G200 PolarHBondContact O-N 2.99Å; L196-I201 HydrophobicContact CB-CB 4.48Å; L196-I201 HydrophobicContact CD1-CB 4.19Å; L196-I201 HydrophobicContact CD1-CG2 4.31Å; L196-I201 WeakPolarHBondContact CG-O 3.2Å; L196-I201 PolarHBondContact N-O 3.15Å; L196-M203 HydrophobicContact CD1-CE 3.72Å; L196-M203 HydrophobicContact CD1-SD 4.35Å; L196-M203 HydrophobicContact CD2-CE 4.18Å; L196-M203 HydrophobicContact CD2-CG 3.78Å; L196-M203 HydrophobicContact CD2-SD 3.85Å; L196-M203 HydrophobicContact CG-CE 3.82Å; L196-M203 HydrophobicContact CG-CG 4.18Å; L196-M203 HydrophobicContact CG-SD 4.17Å; L196-V299 HydrophobicContact CB-CG1 4.36Å; L196-V299 HydrophobicContact CD1-CG1 4.27Å; L196-V299 HydrophobicContact CD1-CG2 4.49Å; L196-V299 HydrophobicContact CD2-CG1 4.16Å; L196-V299 HydrophobicContact CD2-CG2 4.06Å; L196-I308 HydrophobicContact CD2-CG2 3.57Å
197P93.5Very high95.4Very high5 Ų57.8 Ų7.83%0.0325%0.052CC..THydrogen-bonded Turntrans-65.3138.2-179.930.8-39.1000111.4S199 R268 V271 V299 P309P197-S199 VanDerWaalsContact C-N 3.29Å; P197-S199 PolarHBondContact O-N 2.88Å; P197-R268 HydrophobicContact CB-CB 3.84Å; P197-R268 WeakPolarHBondContact O-CD 3.27Å; P197-V271 HydrophobicContact CB-CG1 3.7Å; P197-V271 HydrophobicContact CG-CG1 3.89Å; P197-V299 HydrophobicContact CG-CG1 4.48Å; P197-P309 WeakPolarHBondContact CD-O 3.45Å; P197-P309 HydrophobicContact CG-CB 4.23Å; P197-P309 HydrophobicContact CG-CG 4.33Å
198G88.9Confident95.3Very high28 Ų287.8 Ų7.829%0.2895%0.052SC..THydrogen-bonded Turntrans87-46.7-179.200000114.4
199S89.9Confident95.2Very high50 Ų508 Ų835%0.355%0.054SC..THydrogen-bonded Turntrans-95.4-29.2-177.563.60000114.1P197 I201P197-S199 VanDerWaalsContact C-N 3.29Å; P197-S199 PolarHBondContact O-N 2.88Å; S199-I201 PolarHBondContact O-N 3.32Å; S199-I201 PolarHBondContact OG-N 3.05Å
200G92.8Very high95Very high0 Ų09 Ų90%06%0.058CC..  trans75.60.3-172.500000114.7T163 L196 L202T163-G200 WeakPolarHBondContact CA-O 3.43Å; T163-G200 WeakPolarHBondContact CG2-O 3.23Å; L196-G200 WeakPolarHBondContact O-CA 3.46Å; L196-G200 PolarHBondContact O-N 2.99Å; G200-L202 PolarHBondContact O-N 3.02Å
201I93.9Very high95Very high41 Ų419.2 Ų9.221%0.216%0.061CC..  trans-55.5127.9179.5-67.8168.7000109.4L196 S199 M203 L294 Y298L196-I201 HydrophobicContact CB-CB 4.48Å; L196-I201 HydrophobicContact CD1-CB 4.19Å; L196-I201 HydrophobicContact CD1-CG2 4.31Å; L196-I201 WeakPolarHBondContact CG-O 3.2Å; L196-I201 PolarHBondContact N-O 3.15Å; S199-I201 PolarHBondContact O-N 3.32Å; S199-I201 PolarHBondContact OG-N 3.05Å; I201-M203 HydrophobicContact CG2-CE 4.2Å; I201-L294 HydrophobicContact CG2-CD1 3.99Å; I201-L294 HydrophobicContact CG2-CD2 4.48Å; I201-Y298 HydrophobicContact CD1-CD1 3.46Å; I201-Y298 VanDerWaalsContact CD1-CD1 3.46Å; I201-Y298 HydrophobicContact CD1-CD2 3.67Å; I201-Y298 HydrophobicContact CD1-CE1 3.38Å; I201-Y298 HydrophobicContact CD1-CE2 3.61Å; I201-Y298 HydrophobicContact CD1-CG 3.59Å; I201-Y298 VanDerWaalsContact CD1-CZ 3.45Å
202L95.2Very high95Very high22 Ų228.8 Ų8.812%0.1156%0.059CC..BIsolated β-bridgetrans-68.8130.2-176.617565.1000110.9T163 H192 G200T163-L202 HydrophobicContact CG2-CB 4.08Å; T163-L202 HydrophobicContact CG2-CD1 4.42Å; H192-L202 HydrophobicContact CB-CD1 3.88Å; H192-L202 VanDerWaalsContact CE1-CD1 3.44Å; H192-L202 WeakPolarHBondContact CE1-CD1 3.22Å; H192-L202 WeakPolarHBondContact ND1-CD1 3.34Å; G200-L202 PolarHBondContact O-N 3.02Å
203M96.4Very high95Very high0 Ų09.4 Ų9.40%06%0.063CC..  trans-88.8112.4153.7-57-68.18500107.9T194 L196 I201 L274 I291 L294 I308 V310T194-M203 WeakPolarHBondContact O-CB 3.13Å; T194-M203 PolarHBondContact O-N 3.19Å; T194-M203 PolarHBondContact OG1-O 3.43Å; L196-M203 HydrophobicContact CD1-CE 3.72Å; L196-M203 HydrophobicContact CD1-SD 4.35Å; L196-M203 HydrophobicContact CD2-CE 4.18Å; L196-M203 HydrophobicContact CD2-CG 3.78Å; L196-M203 HydrophobicContact CD2-SD 3.85Å; L196-M203 HydrophobicContact CG-CE 3.82Å; L196-M203 HydrophobicContact CG-CG 4.18Å; L196-M203 HydrophobicContact CG-SD 4.17Å; I201-M203 HydrophobicContact CG2-CE 4.2Å; M203-L274 HydrophobicContact CB-CD2 4Å; M203-L274 HydrophobicContact CG-CD2 4.48Å; M203-I291 HydrophobicContact CB-CD1 4.46Å; M203-I291 HydrophobicContact CE-CD1 4.05Å; M203-I291 HydrophobicContact SD-CD1 4.24Å; M203-I291 HydrophobicContact SD-CG2 3.91Å; M203-L294 HydrophobicContact CE-CB 3.82Å; M203-L294 HydrophobicContact CE-CD1 3.96Å; M203-I308 HydrophobicContact CG-CG2 4.23Å; M203-I308 HydrophobicContact SD-CD1 4.17Å; M203-I308 HydrophobicContact SD-CG2 4.22Å; M203-V310 HydrophobicContact CG-CG1 4.11Å
204T94.5Very high95.1Very high2 Ų29.3 Ų9.31%0.0126%0.062CC..  trans-43.2142.9-175.7-174.20000114E9 G10 G206 C207 L288 I291E9-T204 HydrophobicContact CB-CG2 4.45Å; E9-T204 VanDerWaalsContact OE2-CB 3.22Å; E9-T204 WeakPolarHBondContact OE2-CB 2.9Å; E9-T204 PolarHBondContact OE2-N 2.86Å; G10-T204 VanDerWaalsContact CA-OG1 3.25Å; G10-T204 WeakPolarHBondContact CA-OG1 3.48Å; T204-G206 PolarHBondContact O-N 2.76Å; T204-G206 VanDerWaalsContact O-N 3.1Å; T204-G206 PolarHBondContact OG1-N 3.4Å; T204-C207 VanDerWaalsContact O-CB 3.24Å; T204-C207 WeakPolarHBondContact O-CB 3.44Å; T204-C207 PolarHBondContact O-N 2.93Å; T204-C207 PolarHBondContact O-SG 3.15Å; T204-L288 HydrophobicContact CG2-CD2 3.85Å; T204-I291 HydrophobicContact CG2-CD1 3.71Å; T204-I291 HydrophobicContact CG2-CG1 3.56Å
205E94.2Very high95.2Very high2 Ų29.9 Ų9.91%0.0097%0.065CC..Hα-helixtrans-57-21.2166.2-179.9157.5-144.300113F76 G77 C207 R208 G209 R247F76-E205 HydrophobicContact CD1-CB 4.08Å; F76-E205 HydrophobicContact CD1-CG 3.78Å; F76-E205 VanDerWaalsContact CD1-OE2 3.29Å; F76-E205 WeakPolarHBondContact CD1-OE2 3.15Å; F76-E205 HydrophobicContact CE1-CB 3.64Å; F76-E205 HydrophobicContact CE1-CG 3.88Å; F76-E205 HydrophobicContact CG-CG 4.12Å; F76-E205 HydrophobicContact CZ-CB 3.88Å; F76-E205 HydrophobicContact CZ-CG 4.22Å; G77-E205 WeakPolarHBondContact CA-OE1 3.33Å; G77-E205 PolarHBondContact N-OE1 3.43Å; E205-C207 PolarHBondContact O-N 3.27Å; E205-C207 VanDerWaalsContact O-N 3.17Å; E205-R208 VanDerWaalsContact CD-NH1 3.28Å; E205-R208 WeakPolarHBondContact O-CA 3.31Å; E205-R208 WeakPolarHBondContact O-CB 3.16Å; E205-R208 PolarHBondContact O-N 3.4Å; E205-R208 IonicContact OE1-CZ 3.62Å; E205-R208 IonicContact OE1-NH1 3.54Å; E205-R208 PolarHBondContact OE1-NH1 2.78Å; E205-R208 IonicContact OE1-NH2 2.86Å; E205-R208 PolarHBondContact OE1-NH2 2.78Å; E205-G209 PolarHBondContact O-N 3.17Å; E205-R247 IonicContact OE1-NE 3.47Å; E205-R247 IonicContact OE2-CZ 3.6Å; E205-R247 IonicContact OE2-NE 2.76Å; E205-R247 PolarHBondContact OE2-NE 2.82Å; E205-R247 IonicContact OE2-NH2 2.75Å; E205-R247 PolarHBondContact OE2-NH2 2.9Å
206G93.9Very high95.2Very high0 Ų010 Ų100%07%0.066CC..Hα-helixtrans-52.3-33.3168.200000112.9T204 R208 G209 E210T204-G206 PolarHBondContact O-N 2.76Å; T204-G206 VanDerWaalsContact O-N 3.1Å; T204-G206 PolarHBondContact OG1-N 3.4Å; G206-R208 VanDerWaalsContact C-N 3.33Å; G206-R208 PolarHBondContact O-N 2.92Å; G206-G209 PolarHBondContact O-N 3.19Å; G206-E210 WeakPolarHBondContact O-CB 3.21Å; G206-E210 VanDerWaalsContact O-CG 3.28Å; G206-E210 WeakPolarHBondContact O-CG 3.31Å; G206-E210 PolarHBondContact O-N 2.91Å
207C96.7Very high95.3Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-57.5-45.7173.3-65.80000112.4T204 E205 G212 L274 L276 L288T204-C207 VanDerWaalsContact O-CB 3.24Å; T204-C207 WeakPolarHBondContact O-CB 3.44Å; T204-C207 PolarHBondContact O-N 2.93Å; T204-C207 PolarHBondContact O-SG 3.15Å; E205-C207 PolarHBondContact O-N 3.27Å; E205-C207 VanDerWaalsContact O-N 3.17Å; C207-G212 VanDerWaalsContact O-CA 3.32Å; C207-G212 WeakPolarHBondContact O-CA 3.48Å; C207-G212 PolarHBondContact O-N 2.84Å; C207-L274 HydrophobicContact CB-CD1 4.42Å; C207-L274 HydrophobicContact CB-CD2 3.86Å; C207-L276 HydrophobicContact CB-CD1 4.39Å; C207-L276 HydrophobicContact CB-CD2 4.03Å; C207-L288 HydrophobicContact CB-CD1 4.45Å
208R96.5Very high95.5Very high1 Ų120 Ų200%0.00411%0.114CC..Hα-helixtrans-68.9-42.7177.6-63.5157.556.9-146.7-6.5110.1E205 G206 E210 G211 E243 G245E205-R208 VanDerWaalsContact CD-NH1 3.28Å; E205-R208 WeakPolarHBondContact O-CA 3.31Å; E205-R208 WeakPolarHBondContact O-CB 3.16Å; E205-R208 PolarHBondContact O-N 3.4Å; E205-R208 IonicContact OE1-CZ 3.62Å; E205-R208 IonicContact OE1-NH1 3.54Å; E205-R208 PolarHBondContact OE1-NH1 2.78Å; E205-R208 IonicContact OE1-NH2 2.86Å; E205-R208 PolarHBondContact OE1-NH2 2.78Å; G206-R208 VanDerWaalsContact C-N 3.33Å; G206-R208 PolarHBondContact O-N 2.92Å; R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 3.08Å; R208-G211 PolarHBondContact O-N 2.88Å; R208-E243 HydrophobicContact CB-CB 4.07Å; R208-E243 HydrophobicContact CG-CB 4.16Å; R208-E243 PolarHBondContact NE-O 3.37Å; R208-E243 PolarHBondContact NH2-O 3.22Å; R208-G245 PolarHBondContact NH2-O 3.21Å
209G95.2Very high95.8Very high5 Ų521.4 Ų21.45%0.05213%0.128CC..Hα-helixtrans-59.2-36.4176.600000114.7R75 E205 G206 G211R75-G209 VanDerWaalsContact O-CA 3.24Å; R75-G209 WeakPolarHBondContact O-CA 3.39Å; E205-G209 PolarHBondContact O-N 3.17Å; G206-G209 PolarHBondContact O-N 3.19Å; G209-G211 PolarHBondContact O-N 2.88Å
210E95.3Very high96.2Very high21 Ų2123.1 Ų23.110%0.09813%0.128CC..THydrogen-bonded Turntrans-78.6-6.4177.1-67.9-56.2158.100113.9G206 R208 L279 K283 R287 L288G206-E210 WeakPolarHBondContact O-CB 3.21Å; G206-E210 VanDerWaalsContact O-CG 3.28Å; G206-E210 WeakPolarHBondContact O-CG 3.31Å; G206-E210 PolarHBondContact O-N 2.91Å; R208-E210 VanDerWaalsContact C-N 3.31Å; R208-E210 PolarHBondContact O-N 3.08Å; E210-L279 HydrophobicContact CB-CD1 4.03Å; E210-L279 WeakPolarHBondContact O-CD2 3.18Å; E210-K283 PolarHBondContact O-NZ 3.3Å; E210-K283 WeakPolarHBondContact OE2-CE 3.22Å; E210-K283 IonicContact OE2-NZ 3.2Å; E210-K283 PolarHBondContact OE2-NZ 3Å; E210-R287 HydrophobicContact CG-CB 4.3Å; E210-L288 HydrophobicContact CB-CD1 4.28Å; E210-L288 HydrophobicContact CG-CD1 4.2Å; E210-L288 HydrophobicContact CG-CG 4.39Å
211G96.4Very high96.4Very high6 Ų623.7 Ų23.76%0.06213%0.13CC..THydrogen-bonded Turntrans11012.7177.200000114.9R208 G209 H278R208-G211 PolarHBondContact O-N 2.88Å; G209-G211 PolarHBondContact O-N 2.88Å; G211-H278 PolarHBondContact O-CE1 2.96Å; G211-H278 VanDerWaalsContact O-CE1 3.26Å; G211-H278 PolarHBondContact O-NE2 2.77Å
212G97.8Very high96.6Very high0 Ų021.8 Ų21.80%012%0.12CC..  trans-60.9141.2172.600000112.2C207 E243 D275 L276C207-G212 VanDerWaalsContact O-CA 3.32Å; C207-G212 WeakPolarHBondContact O-CA 3.48Å; C207-G212 PolarHBondContact O-N 2.84Å; G212-E243 WeakPolarHBondContact O-CG 3.29Å; G212-D275 WeakPolarHBondContact CA-O 3.36Å; G212-L276 VanDerWaalsContact CA-CD2 3.43Å
213I98.2Very high96.7Very high13 Ų1320.8 Ų20.87%0.06711%0.114CC..EExtended strand (participates in β ladder)trans-111.4151.1-175.263.7168.1000111.9V215 R221 L234 E243 L274 D275I213-V215 HydrophobicContact CD1-CG1 3.8Å; I213-V215 HydrophobicContact CG1-CG1 4.24Å; I213-R221 HydrophobicContact CB-CG 4.32Å; I213-R221 HydrophobicContact CD1-CG 4.03Å; I213-L234 HydrophobicContact CD1-CD2 3.83Å; I213-L234 HydrophobicContact CG2-CD2 3.91Å; I213-E243 VanDerWaalsContact CA-OE1 3.29Å; I213-E243 WeakPolarHBondContact CA-OE1 3.25Å; I213-E243 WeakPolarHBondContact CB-OE1 3.24Å; I213-L274 WeakPolarHBondContact O-CA 3.39Å; I213-D275 HydrophobicContact CD1-CB 4.22Å; I213-D275 HydrophobicContact CG1-CB 3.73Å; I213-D275 PolarHBondContact N-O 3.03Å; I213-D275 PolarHBondContact O-N 3.5Å
214L98.4Very high96.6Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-104.7121173.4-71.5173.6000110.4T194 Y222 L223 E243 V250 V272 Y273 L274 V310T194-L214 HydrophobicContact CG2-CD2 4.14Å; L214-Y222 HydrophobicContact CB-CE1 3.87Å; L214-L223 HydrophobicContact CB-CD1 4.29Å; L214-L223 HydrophobicContact CD1-CD1 4.22Å; L214-E243 HydrophobicContact CB-CG 4.36Å; L214-E243 HydrophobicContact CG-CG 4.25Å; L214-E243 PolarHBondContact N-OE1 2.79Å; L214-E243 VanDerWaalsContact N-OE1 3.07Å; L214-V250 HydrophobicContact CD1-CG1 3.53Å; L214-V272 HydrophobicContact CD2-CG2 4.21Å; L214-Y273 WeakPolarHBondContact CA-O 3.37Å; L214-L274 HydrophobicContact CD2-CB 4.11Å; L214-L274 HydrophobicContact CD2-CD1 4.23Å; L214-V310 HydrophobicContact CD2-CG2 3.9Å
215V98.3Very high96.6Very high12 Ų1227.8 Ų27.87%0.07315%0.15CC..EExtended strand (participates in β ladder)trans-124.5141.8-179.7-59.20000112.1I213 Y220 R221 V272 Y273I213-V215 HydrophobicContact CD1-CG1 3.8Å; I213-V215 HydrophobicContact CG1-CG1 4.24Å; V215-Y220 VanDerWaalsContact CA-O 3.29Å; V215-Y220 WeakPolarHBondContact CA-O 3.39Å; V215-R221 HydrophobicContact CG1-CG 3.66Å; V215-V272 WeakPolarHBondContact O-CB 3.44Å; V215-Y273 PolarHBondContact N-O 2.83Å; V215-Y273 PolarHBondContact O-N 3.49Å
216N98.2Very high96.6Very high3 Ų329.8 Ų29.82%0.01616%0.158CC..  trans-82.5-173.8177.374.210.6000111.4N218 G219 Y220 Y222 E257 N262N216-N218 PolarHBondContact O-N 2.85Å; N216-N218 WeakPolarHBondContact OD1-CB 3.38Å; N216-N218 PolarHBondContact OD1-N 2.86Å; N216-G219 PolarHBondContact O-N 2.75Å; N216-Y220 PolarHBondContact N-O 3.16Å; N216-Y220 PolarHBondContact OD1-N 2.76Å; N216-Y222 HydrophobicContact CB-CD1 4.04Å; N216-E257 PolarHBondContact ND2-OE2 3.49Å; N216-N262 HydrophobicContact CB-CB 4.4Å; N216-N262 WeakPolarHBondContact CB-O 3.49Å
217K97.7Very high96.4Very high108 Ų10832.4 Ų32.447%0.4719%0.185SC..THydrogen-bonded Turntrans-59.3-20.2-178.379.2-174.7-175.5178.50114.7G261 N262 T263 I264K217-G261 VanDerWaalsContact CE-O 3.27Å; K217-G261 WeakPolarHBondContact CE-O 3.31Å; K217-G261 PolarHBondContact NZ-O 3.34Å; K217-N262 VanDerWaalsContact CB-O 3.31Å; K217-N262 WeakPolarHBondContact CB-O 3.47Å; K217-N262 VanDerWaalsContact CG-O 3.22Å; K217-N262 WeakPolarHBondContact CG-O 3.34Å; K217-N262 PolarHBondContact N-O 2.82Å; K217-T263 WeakPolarHBondContact CD-O 3.33Å; K217-I264 HydrophobicContact CB-CD1 4.1Å; K217-I264 HydrophobicContact CB-CG1 3.74Å
218N97.1Very high96.2Very high107 Ų10732.4 Ų32.457%0.57219%0.185SC*.THydrogen-bonded Turntrans-92.53.4-179.2-54.1-41.5000112.3N216 Y220N216-N218 PolarHBondContact O-N 2.85Å; N216-N218 WeakPolarHBondContact OD1-CB 3.38Å; N216-N218 PolarHBondContact OD1-N 2.86Å; N218-Y220 PolarHBondContact O-N 2.83Å
219G96Very high95.7Very high56 Ų5633 Ų3358%0.57719%0.191SC*.SBendtrans72.814.7-172.600000113.7N216N216-G219 PolarHBondContact O-N 2.75Å
220Y97.5Very high95.6Very high87 Ų8736.8 Ų36.834%0.34122%0.215SC..  trans-91.9134.1-177.1177.9-112.9000111.9V215 N216 N218 Y222 Q224 D225V215-Y220 VanDerWaalsContact CA-O 3.29Å; V215-Y220 WeakPolarHBondContact CA-O 3.39Å; N216-Y220 PolarHBondContact N-O 3.16Å; N216-Y220 PolarHBondContact OD1-N 2.76Å; N218-Y220 PolarHBondContact O-N 2.83Å; Y220-Y222 VanDerWaalsContact C-N 3.34Å; Y220-Y222 PolarHBondContact O-N 3.34Å; Y220-Q224 WeakPolarHBondContact OH-CG 3.27Å; Y220-Q224 PolarHBondContact OH-NE2 3.31Å; Y220-Q224 PolarHBondContact OH-OE1 3.13Å; Y220-D225 WeakPolarHBondContact CE1-OD2 3.36Å; Y220-D225 PolarHBondContact OH-OD1 3.47Å
221R97Very high95.5Very high11 Ų1140.2 Ų40.24%0.04223%0.231CC..  trans-77.381.7174.5-76.2-175.168.5-160.47.4111.2I213 V215 L223 Q224 E231 T232 M242 E243I213-R221 HydrophobicContact CB-CG 4.32Å; I213-R221 HydrophobicContact CD1-CG 4.03Å; V215-R221 HydrophobicContact CG1-CG 3.66Å; R221-L223 VanDerWaalsContact C-N 3.31Å; R221-L223 PolarHBondContact O-N 3Å; R221-Q224 WeakPolarHBondContact O-CG 3.49Å; R221-Q224 PolarHBondContact O-NE2 3.32Å; R221-E231 WeakPolarHBondContact CD-OE1 3.37Å; R221-E231 IonicContact CZ-OE1 3.14Å; R221-E231 IonicContact NE-OE1 2.66Å; R221-E231 IonicContact NH1-OE1 2.83Å; R221-E231 PolarHBondContact NH1-OE1 3.08Å; R221-T232 PolarHBondContact NH1-O 3.5Å; R221-T232 PolarHBondContact NH2-OG1 2.76Å; R221-M242 HydrophobicContact CB-CE 4.34Å; R221-E243 IonicContact CZ-OE1 2.72Å; R221-E243 IonicContact CZ-OE2 3.54Å; R221-E243 IonicContact NE-OE1 3.6Å; R221-E243 PolarHBondContact NE-OE1 2.86Å; R221-E243 VanDerWaalsContact NE-OE1 3.16Å; R221-E243 IonicContact NH2-OE1 3.69Å; R221-E243 PolarHBondContact NH2-OE1 3.41Å; R221-E243 IonicContact NH2-OE2 3.86Å; R221-E243 PolarHBondContact NH2-OE2 2.8Å
222Y97.4Very high95.4Very high2 Ų240.7 Ų40.71%0.00823%0.232CC..G310 helixtrans-66.9-20.1-167.766.9-90.1000115.6L214 N216 Y220 Q224 D225 Y226 A253 E257 V272L214-Y222 HydrophobicContact CB-CE1 3.87Å; N216-Y222 HydrophobicContact CB-CD1 4.04Å; Y220-Y222 VanDerWaalsContact C-N 3.34Å; Y220-Y222 PolarHBondContact O-N 3.34Å; Y222-Q224 PolarHBondContact O-N 2.92Å; Y222-D225 WeakPolarHBondContact O-CB 3.5Å; Y222-D225 PolarHBondContact O-N 3.36Å; Y222-D225 VanDerWaalsContact O-N 3.07Å; Y222-Y226 AromaticContact CD2-CD2 3.97Å; Y222-Y226 HydrophobicContact CD2-CD2 3.97Å; Y222-Y226 AromaticContact CD2-CE2 3.72Å; Y222-Y226 HydrophobicContact CD2-CE2 3.72Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.24Å; Y222-Y226 WeakPolarHBondContact O-CE2 3.45Å; Y222-A253 HydrophobicContact CD2-CB 4.34Å; Y222-A253 HydrophobicContact CE2-CB 3.88Å; Y222-E257 HydrophobicContact CD1-CG 4.32Å; Y222-E257 HydrophobicContact CD2-CG 3.44Å; Y222-E257 VanDerWaalsContact CD2-CG 3.44Å; Y222-E257 HydrophobicContact CE2-CG 3.97Å; Y222-E257 HydrophobicContact CG-CG 3.63Å; Y222-V272 HydrophobicContact CE1-CB 4.27Å; Y222-V272 HydrophobicContact CE1-CG1 4.01Å; Y222-V272 HydrophobicContact CE1-CG2 4.45Å
223L97.4Very high95.3Very high0 Ų044.3 Ų44.30%026%0.256CS..G310 helixtrans-61.3-22.2-173.7-62.1177.7000114L214 R221 D225 Y226 M228 M242 E243 V250 A253L214-L223 HydrophobicContact CB-CD1 4.29Å; L214-L223 HydrophobicContact CD1-CD1 4.22Å; R221-L223 VanDerWaalsContact C-N 3.31Å; R221-L223 PolarHBondContact O-N 3Å; L223-D225 PolarHBondContact O-N 3.04Å; L223-Y226 PolarHBondContact O-N 3.34Å; L223-Y226 VanDerWaalsContact O-N 3.17Å; L223-M228 HydrophobicContact CB-CE 4Å; L223-M228 HydrophobicContact CD2-CE 3.48Å; L223-M228 VanDerWaalsContact CD2-CE 3.48Å; L223-M228 HydrophobicContact CD2-SD 4.35Å; L223-M228 HydrophobicContact CG-CE 4.25Å; L223-M242 HydrophobicContact CB-CE 3.92Å; L223-M242 HydrophobicContact CB-SD 4.24Å; L223-E243 HydrophobicContact CD1-CB 4.29Å; L223-E243 HydrophobicContact CD1-CG 3.68Å; L223-V250 HydrophobicContact CD1-CG1 4.5Å; L223-V250 HydrophobicContact CD2-CG1 4.05Å; L223-A253 HydrophobicContact CD2-CB 3.81Å
224Q95.4Very high95.1Very high58 Ų5848.4 Ų48.427%0.27128%0.278SS..G310 helixtrans-61.8-25.8177.164.8-167.7-79.400112.8Y220 R221 Y222 Y226 E231 M242Y220-Q224 WeakPolarHBondContact OH-CG 3.27Å; Y220-Q224 PolarHBondContact OH-NE2 3.31Å; Y220-Q224 PolarHBondContact OH-OE1 3.13Å; R221-Q224 WeakPolarHBondContact O-CG 3.49Å; R221-Q224 PolarHBondContact O-NE2 3.32Å; Y222-Q224 PolarHBondContact O-N 2.92Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 2.69Å; Q224-E231 PolarHBondContact NE2-OE2 3.24Å; Q224-M242 HydrophobicContact CB-CE 3.88Å; Q224-M242 HydrophobicContact CB-SD 3.83Å
225D95Very high94.7Very high91 Ų9150.3 Ų50.349%0.48730%0.297SS..G310 helixtrans-81.4-6.8-179.3-61.7-22.8000113.5Y220 Y222 L223Y220-D225 WeakPolarHBondContact CE1-OD2 3.36Å; Y220-D225 PolarHBondContact OH-OD1 3.47Å; Y222-D225 WeakPolarHBondContact O-CB 3.5Å; Y222-D225 PolarHBondContact O-N 3.36Å; Y222-D225 VanDerWaalsContact O-N 3.07Å; L223-D225 PolarHBondContact O-N 3.04Å
226Y94Very high94.5Very high44 Ų4456 Ų5617%0.17332%0.323CS..G310 helixtrans-120.833.7-168.5-59.6-74.4000112.8Y222 L223 Q224 M228 A253 H256 E257 K260Y222-Y226 AromaticContact CD2-CD2 3.97Å; Y222-Y226 HydrophobicContact CD2-CD2 3.97Å; Y222-Y226 AromaticContact CD2-CE2 3.72Å; Y222-Y226 HydrophobicContact CD2-CE2 3.72Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.24Å; Y222-Y226 WeakPolarHBondContact O-CE2 3.45Å; L223-Y226 PolarHBondContact O-N 3.34Å; L223-Y226 VanDerWaalsContact O-N 3.17Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 2.69Å; Y226-M228 VanDerWaalsContact C-N 3.26Å; Y226-M228 PolarHBondContact O-N 2.96Å; Y226-A253 HydrophobicContact CD1-CB 4.34Å; Y226-A253 HydrophobicContact CD2-CB 3.64Å; Y226-A253 HydrophobicContact CE2-CB 4.31Å; Y226-A253 HydrophobicContact CG-CB 3.65Å; Y226-H256 HydrophobicContact CD1-CB 4.3Å; Y226-H256 HydrophobicContact CE1-CB 3.39Å; Y226-H256 AromaticContact CE1-CD2 3.92Å; Y226-H256 AromaticContact CE1-CG 3.87Å; Y226-E257 HydrophobicContact CE2-CG 4.1Å; Y226-E257 PolarHBondContact OH-OE1 3.28Å; Y226-K260 PolarHBondContact OH-NZ 2.69Å
227G89.9Confident94.3Very high55 Ų5557.3 Ų57.357%0.56733%0.332SS*.THydrogen-bonded Turntrans72.614.1175.400000114.8
228M92.2Very high94.1Very high1 Ų156.2 Ų56.21%0.00533%0.327CS..THydrogen-bonded Turntrans-104.4-7.1175.8-68.3173.9-8000112.7L223 Y226 Y241 M242 K249 V250 A253L223-M228 HydrophobicContact CB-CE 4Å; L223-M228 HydrophobicContact CD2-CE 3.48Å; L223-M228 VanDerWaalsContact CD2-CE 3.48Å; L223-M228 HydrophobicContact CD2-SD 4.35Å; L223-M228 HydrophobicContact CG-CE 4.25Å; Y226-M228 VanDerWaalsContact C-N 3.26Å; Y226-M228 PolarHBondContact O-N 2.96Å; M228-Y241 CarbonylContact O-C 3.46Å; M228-Y241 WeakPolarHBondContact O-CA 3.36Å; M228-M242 PolarHBondContact O-N 2.93Å; M228-K249 HydrophobicContact SD-CB 4.23Å; M228-V250 HydrophobicContact SD-CG2 3.63Å; M228-A253 HydrophobicContact CE-CB 3.73Å
229G84.8Confident93.9Very high13 Ų1352 Ų5213%0.13431%0.305CS..  trans-84.2-172.7-176.600000115.3G541 G542G229-G541 CarbonylContact O-C 3.53Å; G229-G541 WeakPolarHBondContact O-CA 3.46Å; G229-G542 PolarHBondContact O-N 3.37Å
230P93.1Very high93.8Very high85 Ų8550.9 Ų50.955%0.55228%0.284SS*.SBendcis-65.6165.10.425.8-38.3000115.1Y241P230-Y241 HydrophobicContact CG-CE1 4.15Å
231E93Very high93.6Very high92 Ų9247.3 Ų47.343%0.4327%0.27SS..PPolyproline II helixtrans-57.6137.9174.6-173.9175.916700112.1R221 Q224 M242R221-E231 WeakPolarHBondContact CD-OE1 3.37Å; R221-E231 IonicContact CZ-OE1 3.14Å; R221-E231 IonicContact NE-OE1 2.66Å; R221-E231 IonicContact NH1-OE1 2.83Å; R221-E231 PolarHBondContact NH1-OE1 3.08Å; Q224-E231 PolarHBondContact NE2-OE2 3.24Å; E231-M242 HydrophobicContact CB-CE 4.23Å; E231-M242 HydrophobicContact CG-CE 4.23Å
232T94.4Very high93.6Very high16 Ų1646.8 Ų46.810%0.09827%0.268CS..PPolyproline II helixtrans-96.2150.7174.562.40000111.1R221 K238 Y241 M242R221-T232 PolarHBondContact NH1-O 3.5Å; R221-T232 PolarHBondContact NH2-OG1 2.76Å; T232-K238 HydrophobicContact CG2-CB 3.83Å; T232-Y241 HydrophobicContact CG2-CD1 4.44Å; T232-M242 HydrophobicContact CG2-CG 4.41Å
233P95.5Very high93.5Very high77 Ų7747.1 Ų47.150%0.527%0.269SS..PPolyproline II helixtrans-57.1151.8173.7-22.133000113G235 E236P233-G235 PolarHBondContact O-N 3.34Å; P233-E236 HydrophobicContact CB-CB 4.14Å; P233-E236 HydrophobicContact CB-CG 4.31Å; P233-E236 PolarHBondContact O-N 3.24Å; P233-E236 VanDerWaalsContact O-N 3.11Å
234L94.4Very high93.5Very high99 Ų9947.2 Ų47.252%0.51827%0.27SS..THydrogen-bonded Turntrans-63.2131.7177.5-67.2177.3000110.8I213 E236I213-L234 HydrophobicContact CD1-CD2 3.83Å; I213-L234 HydrophobicContact CG2-CD2 3.91Å; L234-E236 PolarHBondContact O-N 3.01Å
235G89.7Confident93.4Very high40 Ų4044.4 Ų44.441%0.41226%0.257SS..THydrogen-bonded Turntrans79.5-1.6-176.500000114.6P233 P237P233-G235 PolarHBondContact O-N 3.34Å; G235-P237 VanDerWaalsContact O-CD 3.24Å; G235-P237 WeakPolarHBondContact O-CD 3.42Å
236E94.4Very high93.3Very high132 Ų13240.4 Ų40.462%0.61724%0.236SC*.  trans-118.964.5179.8-61.2-178.3-160.100111.4P233 L234P233-E236 HydrophobicContact CB-CB 4.14Å; P233-E236 HydrophobicContact CB-CG 4.31Å; P233-E236 PolarHBondContact O-N 3.24Å; P233-E236 VanDerWaalsContact O-N 3.11Å; L234-E236 PolarHBondContact O-N 3.01Å
237P94.3Very high93.4Very high30 Ų3039 Ų3920%0.19523%0.23CC..  trans-64.8136.8178.828.1-34.6000111.5R75 G235 L244R75-P237 PolarHBondContact NE-O 2.94Å; G235-P237 VanDerWaalsContact O-CD 3.24Å; G235-P237 WeakPolarHBondContact O-CD 3.42Å; P237-L244 HydrophobicContact CB-CD1 3.94Å
238K94.4Very high93.7Very high84 Ų8436.7 Ų36.737%0.36521%0.205SC..  trans-112.4132.5176.4-174.2-179.7175-169.60110.4T232 Y241 D545T232-K238 HydrophobicContact CG2-CB 3.83Å; K238-Y241 HydrophobicContact CB-CD2 4.31Å; K238-Y241 HydrophobicContact CB-CG 4.24Å; K238-Y241 HydrophobicContact CD-CD1 4.25Å; K238-Y241 HydrophobicContact CD-CD2 3.67Å; K238-Y241 HydrophobicContact CD-CE1 4.21Å; K238-Y241 HydrophobicContact CD-CE2 3.68Å; K238-Y241 HydrophobicContact CD-CG 3.99Å; K238-Y241 VanDerWaalsContact CE-CE2 3.41Å; K238-Y241 HydrophobicContact CG-CD2 3.83Å; K238-Y241 HydrophobicContact CG-CE2 4.25Å; K238-Y241 HydrophobicContact CG-CG 4.21Å; K238-Y241 PolarHBondContact NZ-OH 3.37Å; K238-Y241 WeakPolarHBondContact O-CB 3.13Å; K238-Y241 PolarHBondContact O-N 2.9Å; K238-Y241 VanDerWaalsContact O-N 3.16Å; K238-D545 IonicContact NZ-OD1 2.7Å; K238-D545 PolarHBondContact NZ-OD1 3.47Å; K238-D545 IonicContact NZ-OD2 3.32Å; K238-D545 PolarHBondContact NZ-OD2 3.34Å
239N93.3Very high93.8Very high20 Ų2040 Ų4011%0.10722%0.219CC..THydrogen-bonded Turntrans-55.1137.8177-78.8-7.7000111.4R75 M79 K80 I81 E82 Y241R75-N239 WeakPolarHBondContact CD-OD1 3.31Å; R75-N239 WeakPolarHBondContact CG-OD1 3.33Å; R75-N239 PolarHBondContact NH1-ND2 3.08Å; R75-N239 PolarHBondContact NH1-OD1 2.64Å; M79-N239 WeakPolarHBondContact O-CB 3.45Å; K80-N239 PolarHBondContact O-ND2 3.43Å; I81-N239 WeakPolarHBondContact CA-ND2 3.43Å; E82-N239 PolarHBondContact OE2-ND2 3.29Å; N239-Y241 VanDerWaalsContact O-CD2 3.29Å; N239-Y241 WeakPolarHBondContact O-CD2 3.35Å; N239-Y241 PolarHBondContact O-N 3.11Å
240K92Very high94.4Very high31 Ų3139.3 Ų39.314%0.13521%0.212CC..THydrogen-bonded Turntrans65.59.3-176.4-61.1-172.7177.4178.50116D28 G78 Y540 G541D28-K240 WeakPolarHBondContact OD1-CE 3.26Å; D28-K240 IonicContact OD1-NZ 2.66Å; D28-K240 PolarHBondContact OD1-NZ 3.46Å; G78-K240 WeakPolarHBondContact O-CE 3.34Å; K240-Y540 HydrophobicContact CB-CD1 4.08Å; K240-Y540 HydrophobicContact CG-CD1 4.28Å; K240-G541 PolarHBondContact O-N 3.34Å
241Y94.5Very high94.6Very high12 Ų1235.3 Ų35.35%0.04719%0.186CC..SBendtrans-113.9148.7177-76.8-117.8000111.1M228 P230 T232 K238 N239 E243 L244 G541 G542 D545M228-Y241 CarbonylContact O-C 3.46Å; M228-Y241 WeakPolarHBondContact O-CA 3.36Å; P230-Y241 HydrophobicContact CG-CE1 4.15Å; T232-Y241 HydrophobicContact CG2-CD1 4.44Å; K238-Y241 HydrophobicContact CB-CD2 4.31Å; K238-Y241 HydrophobicContact CB-CG 4.24Å; K238-Y241 HydrophobicContact CD-CD1 4.25Å; K238-Y241 HydrophobicContact CD-CD2 3.67Å; K238-Y241 HydrophobicContact CD-CE1 4.21Å; K238-Y241 HydrophobicContact CD-CE2 3.68Å; K238-Y241 HydrophobicContact CD-CG 3.99Å; K238-Y241 VanDerWaalsContact CE-CE2 3.41Å; K238-Y241 HydrophobicContact CG-CD2 3.83Å; K238-Y241 HydrophobicContact CG-CE2 4.25Å; K238-Y241 HydrophobicContact CG-CG 4.21Å; K238-Y241 PolarHBondContact NZ-OH 3.37Å; K238-Y241 WeakPolarHBondContact O-CB 3.13Å; K238-Y241 PolarHBondContact O-N 2.9Å; K238-Y241 VanDerWaalsContact O-N 3.16Å; N239-Y241 VanDerWaalsContact O-CD2 3.29Å; N239-Y241 WeakPolarHBondContact O-CD2 3.35Å; N239-Y241 PolarHBondContact O-N 3.11Å; Y241-E243 PolarHBondContact O-N 3.5Å; Y241-L244 CarbonylContact O-C 3.56Å; Y241-L244 WeakPolarHBondContact O-CA 3.43Å; Y241-L244 WeakPolarHBondContact O-CB 3.43Å; Y241-L244 PolarHBondContact O-N 2.85Å; Y241-G541 WeakPolarHBondContact CE2-O 3.46Å; Y241-G541 VanDerWaalsContact CZ-O 3.3Å; Y241-G541 VanDerWaalsContact OH-C 3.29Å; Y241-G541 PolarHBondContact OH-O 3.2Å; Y241-G541 VanDerWaalsContact OH-O 3.13Å; Y241-G542 PolarHBondContact OH-N 3.14Å; Y241-D545 WeakPolarHBondContact CE2-OD1 3.4Å; Y241-D545 PolarHBondContact OH-OD1 2.96Å; Y241-D545 PolarHBondContact OH-OD2 3.25Å
242M95.9Very high94.8Very high0 Ų031.5 Ų31.50%017%0.169CC..G310 helixtrans46.7-119.8169.9-57.9-63.6-72.300112.1R221 L223 Q224 M228 E231 T232 L244 G245R221-M242 HydrophobicContact CB-CE 4.34Å; L223-M242 HydrophobicContact CB-CE 3.92Å; L223-M242 HydrophobicContact CB-SD 4.24Å; Q224-M242 HydrophobicContact CB-CE 3.88Å; Q224-M242 HydrophobicContact CB-SD 3.83Å; M228-M242 PolarHBondContact O-N 2.93Å; E231-M242 HydrophobicContact CB-CE 4.23Å; E231-M242 HydrophobicContact CG-CE 4.23Å; T232-M242 HydrophobicContact CG2-CG 4.41Å; M242-L244 PolarHBondContact O-N 2.81Å; M242-L244 VanDerWaalsContact O-N 3.12Å; M242-G245 PolarHBondContact O-N 3.25Å
243E97Very high94.9Very high9 Ų930.8 Ų30.84%0.04216%0.164CC..G310 helixtrans-66.2-10.9-179.6-62.381.5-17600113R208 G212 I213 L214 R221 L223 Y241R208-E243 HydrophobicContact CB-CB 4.07Å; R208-E243 HydrophobicContact CG-CB 4.16Å; R208-E243 PolarHBondContact NE-O 3.37Å; R208-E243 PolarHBondContact NH2-O 3.22Å; G212-E243 WeakPolarHBondContact O-CG 3.29Å; I213-E243 VanDerWaalsContact CA-OE1 3.29Å; I213-E243 WeakPolarHBondContact CA-OE1 3.25Å; I213-E243 WeakPolarHBondContact CB-OE1 3.24Å; L214-E243 HydrophobicContact CB-CG 4.36Å; L214-E243 HydrophobicContact CG-CG 4.25Å; L214-E243 PolarHBondContact N-OE1 2.79Å; L214-E243 VanDerWaalsContact N-OE1 3.07Å; R221-E243 IonicContact CZ-OE1 2.72Å; R221-E243 IonicContact CZ-OE2 3.54Å; R221-E243 IonicContact NE-OE1 3.6Å; R221-E243 PolarHBondContact NE-OE1 2.86Å; R221-E243 VanDerWaalsContact NE-OE1 3.16Å; R221-E243 IonicContact NH2-OE1 3.69Å; R221-E243 PolarHBondContact NH2-OE1 3.41Å; R221-E243 IonicContact NH2-OE2 3.86Å; R221-E243 PolarHBondContact NH2-OE2 2.8Å; L223-E243 HydrophobicContact CD1-CB 4.29Å; L223-E243 HydrophobicContact CD1-CG 3.68Å; Y241-E243 PolarHBondContact O-N 3.5Å
244L95.8Very high95Very high2 Ų227.8 Ų27.81%0.0114%0.143CC..G310 helixtrans-97.616.5170.6-69.1177.3000113.3R75 G77 G78 P237 Y241 M242R75-L244 HydrophobicContact CB-CD1 3.75Å; R75-L244 HydrophobicContact CB-CD2 4.04Å; R75-L244 VanDerWaalsContact CD-CD1 3.47Å; R75-L244 HydrophobicContact CG-CD1 4.2Å; G77-L244 WeakPolarHBondContact CA-O 3.48Å; G78-L244 PolarHBondContact N-O 3.23Å; P237-L244 HydrophobicContact CB-CD1 3.94Å; Y241-L244 CarbonylContact O-C 3.56Å; Y241-L244 WeakPolarHBondContact O-CA 3.43Å; Y241-L244 WeakPolarHBondContact O-CB 3.43Å; Y241-L244 PolarHBondContact O-N 2.85Å; M242-L244 PolarHBondContact O-N 2.81Å; M242-L244 VanDerWaalsContact O-N 3.12Å
245G93.9Very high95.1Very high0 Ų025.6 Ų25.60%013%0.128CC..SBendtrans-63.3166.1158.900000112.2G77 R208 M242G77-G245 WeakPolarHBondContact CA-O 3.27Å; R208-G245 PolarHBondContact NH2-O 3.21Å; M242-G245 PolarHBondContact O-N 3.25Å
246P93.6Very high95.5Very high6 Ų626.7 Ų26.74%0.03912%0.123CC..  trans-72.4152.7177.837-40.9000111D248 K249 V250 Y540P246-D248 VanDerWaalsContact C-N 3.3Å; P246-D248 VanDerWaalsContact CB-OD1 3.25Å; P246-D248 WeakPolarHBondContact CB-OD1 3.46Å; P246-D248 WeakPolarHBondContact CG-OD1 3.47Å; P246-D248 PolarHBondContact O-N 3.33Å; P246-K249 HydrophobicContact CG-CB 3.83Å; P246-K249 HydrophobicContact CG-CG 3.66Å; P246-K249 PolarHBondContact O-N 2.87Å; P246-K249 VanDerWaalsContact O-N 3.17Å; P246-V250 WeakPolarHBondContact O-CG2 3.46Å; P246-V250 PolarHBondContact O-N 2.89Å; P246-V250 VanDerWaalsContact O-N 3.08Å; P246-Y540 HydrophobicContact CG-CD2 4.28Å; P246-Y540 HydrophobicContact CG-CE1 4.09Å; P246-Y540 HydrophobicContact CG-CE2 3.57Å; P246-Y540 VanDerWaalsContact CG-CZ 3.48Å
247R96Very high95.7Very high15 Ų1520.5 Ų20.56%0.0579%0.094CC..Hα-helixtrans-60-36.8-169.9-66.6167.9-178.5-174.5-6113.9Q190 H192 E205 S251 H315Q190-R247 HydrophobicContact CG-CB 4.28Å; H192-R247 PolarHBondContact CD2-NE 3.26Å; E205-R247 IonicContact OE1-NE 3.47Å; E205-R247 IonicContact OE2-CZ 3.6Å; E205-R247 IonicContact OE2-NE 2.76Å; E205-R247 PolarHBondContact OE2-NE 2.82Å; E205-R247 IonicContact OE2-NH2 2.75Å; E205-R247 PolarHBondContact OE2-NH2 2.9Å; R247-S251 VanDerWaalsContact O-CB 3.3Å; R247-S251 WeakPolarHBondContact O-CB 3.45Å; R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 3.02Å; R247-H315 PolarHBondContact NH1-CD2 2.81Å; R247-H315 VanDerWaalsContact NH1-CD2 3.31Å; R247-H315 PolarHBondContact NH1-NE2 3.03Å
248D95.1Very high95.8Very high6 Ų624.2 Ų24.23%0.03210%0.104CC..Hα-helixtrans-61.9-49.2176.260.2-35.6000111.4P246 V250 S251 Q252 N349 R538P246-D248 VanDerWaalsContact C-N 3.3Å; P246-D248 VanDerWaalsContact CB-OD1 3.25Å; P246-D248 WeakPolarHBondContact CB-OD1 3.46Å; P246-D248 WeakPolarHBondContact CG-OD1 3.47Å; P246-D248 PolarHBondContact O-N 3.33Å; D248-V250 PolarHBondContact O-N 2.86Å; D248-S251 PolarHBondContact O-N 2.81Å; D248-Q252 WeakPolarHBondContact O-CB 3.34Å; D248-Q252 WeakPolarHBondContact O-CG 3.43Å; D248-Q252 PolarHBondContact O-N 3.49Å; D248-Q252 PolarHBondContact O-NE2 3.35Å; D248-N349 PolarHBondContact OD1-ND2 3Å; D248-R538 IonicContact OD1-CZ 2.8Å; D248-R538 IonicContact OD1-NH1 3.49Å; D248-R538 IonicContact OD1-NH2 2.81Å; D248-R538 PolarHBondContact OD1-NH2 2.81Å; D248-R538 IonicContact OD2-CZ 3.16Å; D248-R538 IonicContact OD2-NH1 2.8Å; D248-R538 PolarHBondContact OD2-NH1 3.24Å; D248-R538 IonicContact OD2-NH2 3.86Å; D248-R538 PolarHBondContact OD2-NH2 3.34Å
249K95Very high95.8Very high70 Ų7028.4 Ų28.430%0.30412%0.117SC..Hα-helixtrans-64.7-40.5177.9-69.1-71.1-179.3-1720112.9M228 P246 S251 Q252 A253M228-K249 HydrophobicContact SD-CB 4.23Å; P246-K249 HydrophobicContact CG-CB 3.83Å; P246-K249 HydrophobicContact CG-CG 3.66Å; P246-K249 PolarHBondContact O-N 2.87Å; P246-K249 VanDerWaalsContact O-N 3.17Å; K249-S251 VanDerWaalsContact C-N 3.31Å; K249-S251 PolarHBondContact O-N 2.98Å; K249-Q252 PolarHBondContact O-N 3.19Å; K249-A253 WeakPolarHBondContact O-CB 3.32Å; K249-A253 PolarHBondContact O-N 3.11Å
250V97.3Very high96Very high0 Ų033.2 Ų33.20%014%0.137CC..Hα-helixtrans-65.7-37.9176.8-177.20000110.8P193 L214 L223 M228 P246 D248 A253 F254P193-V250 HydrophobicContact CB-CB 3.98Å; P193-V250 HydrophobicContact CB-CG1 3.46Å; P193-V250 VanDerWaalsContact CB-CG1 3.46Å; P193-V250 HydrophobicContact CG-CB 3.96Å; P193-V250 HydrophobicContact CG-CG1 3.68Å; L214-V250 HydrophobicContact CD1-CG1 3.53Å; L223-V250 HydrophobicContact CD1-CG1 4.5Å; L223-V250 HydrophobicContact CD2-CG1 4.05Å; M228-V250 HydrophobicContact SD-CG2 3.63Å; P246-V250 WeakPolarHBondContact O-CG2 3.46Å; P246-V250 PolarHBondContact O-N 2.89Å; P246-V250 VanDerWaalsContact O-N 3.08Å; D248-V250 PolarHBondContact O-N 2.86Å; V250-A253 PolarHBondContact O-N 3.08Å; V250-F254 PolarHBondContact O-N 2.85Å; V250-F254 VanDerWaalsContact O-N 3.16Å
251S97.3Very high96.3Very high1 Ų133.4 Ų33.41%0.00715%0.148CC..Hα-helixtrans-69.3-38.4176-580000112.2Y191 R247 D248 K249 F254 W255Y191-S251 PolarHBondContact O-OG 2.83Å; R247-S251 VanDerWaalsContact O-CB 3.3Å; R247-S251 WeakPolarHBondContact O-CB 3.45Å; R247-S251 PolarHBondContact O-N 2.95Å; R247-S251 PolarHBondContact O-OG 3.02Å; D248-S251 PolarHBondContact O-N 2.81Å; K249-S251 VanDerWaalsContact C-N 3.31Å; K249-S251 PolarHBondContact O-N 2.98Å; S251-F254 WeakPolarHBondContact O-CB 3.4Å; S251-F254 PolarHBondContact O-N 2.8Å; S251-W255 PolarHBondContact O-N 3.5Å; S251-W255 VanDerWaalsContact O-N 3.15Å
252Q96.7Very high96.4Very high12 Ų1234.6 Ų34.66%0.05616%0.155CC..Hα-helixtrans-62.1-43.6172.3-71.816434.200111.6D248 K249 F254 W255 H256 I425 Y426 Q493D248-Q252 WeakPolarHBondContact O-CB 3.34Å; D248-Q252 WeakPolarHBondContact O-CG 3.43Å; D248-Q252 PolarHBondContact O-N 3.49Å; D248-Q252 PolarHBondContact O-NE2 3.35Å; K249-Q252 PolarHBondContact O-N 3.19Å; Q252-F254 VanDerWaalsContact C-N 3.31Å; Q252-F254 PolarHBondContact O-N 3.29Å; Q252-W255 WeakPolarHBondContact O-CB 3.46Å; Q252-W255 PolarHBondContact O-N 2.93Å; Q252-H256 PolarHBondContact O-CD2 3.48Å; Q252-H256 VanDerWaalsContact O-CD2 3.23Å; Q252-H256 PolarHBondContact O-N 3.41Å; Q252-I425 HydrophobicContact CG-CG2 3.95Å; Q252-Y426 HydrophobicContact CB-CE2 4.1Å; Q252-Y426 WeakPolarHBondContact CB-OH 2.89Å; Q252-Y426 HydrophobicContact CG-CE2 4Å; Q252-Q493 HydrophobicContact CG-CG 4.25Å
253A97.5Very high96.5Very high1 Ų135.2 Ų35.21%0.00816%0.159CC..Hα-helixtrans-59.7-40.5176.600000112.2Y222 L223 Y226 M228 K249 V250 W255 H256 E257Y222-A253 HydrophobicContact CD2-CB 4.34Å; Y222-A253 HydrophobicContact CE2-CB 3.88Å; L223-A253 HydrophobicContact CD2-CB 3.81Å; Y226-A253 HydrophobicContact CD1-CB 4.34Å; Y226-A253 HydrophobicContact CD2-CB 3.64Å; Y226-A253 HydrophobicContact CE2-CB 4.31Å; Y226-A253 HydrophobicContact CG-CB 3.65Å; M228-A253 HydrophobicContact CE-CB 3.73Å; K249-A253 WeakPolarHBondContact O-CB 3.32Å; K249-A253 PolarHBondContact O-N 3.11Å; V250-A253 PolarHBondContact O-N 3.08Å; A253-W255 PolarHBondContact O-N 3.17Å; A253-H256 PolarHBondContact O-N 3.37Å; A253-E257 PolarHBondContact O-N 3.37Å
254F97.9Very high96.6Very high13 Ų1336.3 Ų36.36%0.05717%0.165CC..Hα-helixtrans-58.4-46.2171.2171.6-82.9000111.9V250 S251 Q252 H256 E257 W258 T263 D270 V272 R311 P312V250-F254 PolarHBondContact O-N 2.85Å; V250-F254 VanDerWaalsContact O-N 3.16Å; S251-F254 WeakPolarHBondContact O-CB 3.4Å; S251-F254 PolarHBondContact O-N 2.8Å; Q252-F254 VanDerWaalsContact C-N 3.31Å; Q252-F254 PolarHBondContact O-N 3.29Å; F254-H256 VanDerWaalsContact C-N 3.27Å; F254-H256 PolarHBondContact O-N 2.69Å; F254-E257 PolarHBondContact O-N 2.87Å; F254-E257 VanDerWaalsContact O-N 3.15Å; F254-W258 HydrophobicContact CE1-CB 4.22Å; F254-W258 WeakPolarHBondContact O-CB 3.46Å; F254-W258 PolarHBondContact O-N 3.05Å; F254-T263 HydrophobicContact CE2-CG2 3.99Å; F254-T263 HydrophobicContact CZ-CG2 4.14Å; F254-D270 WeakPolarHBondContact CZ-O 3.28Å; F254-V272 HydrophobicContact CD2-CB 4.32Å; F254-V272 HydrophobicContact CD2-CG1 3.68Å; F254-V272 HydrophobicContact CD2-CG2 3.81Å; F254-V272 HydrophobicContact CE2-CB 4.46Å; F254-V272 HydrophobicContact CE2-CG1 3.9Å; F254-V272 HydrophobicContact CE2-CG2 4.18Å; F254-R311 HydrophobicContact CE2-CB 4.07Å; F254-R311 HydrophobicContact CZ-CB 3.9Å; F254-P312 HydrophobicContact CB-CG 3.63Å; F254-P312 HydrophobicContact CD1-CG 3.43Å; F254-P312 VanDerWaalsContact CD1-CG 3.43Å; F254-P312 HydrophobicContact CD2-CG 4.25Å; F254-P312 VanDerWaalsContact CE1-CD 3.49Å; F254-P312 HydrophobicContact CE1-CG 4.15Å; F254-P312 HydrophobicContact CG-CG 3.5Å; F254-P312 VanDerWaalsContact CG-CG 3.5Å
255W96.4Very high96.6Very high54 Ų5440.8 Ų40.821%0.20520%0.197CC..Hα-helixtrans-59.6-40.2-179.3-176.298.3000111.4S251 Q252 A253 W258 R259 Y426 L495S251-W255 PolarHBondContact O-N 3.5Å; S251-W255 VanDerWaalsContact O-N 3.15Å; Q252-W255 WeakPolarHBondContact O-CB 3.46Å; Q252-W255 PolarHBondContact O-N 2.93Å; A253-W255 PolarHBondContact O-N 3.17Å; W255-W258 AromaticContact NE1-CZ3 3.91Å; W255-W258 WeakPolarHBondContact O-CB 3.29Å; W255-W258 PolarHBondContact O-N 3.15Å; W255-R259 HydrophobicContact CD2-CG 3.91Å; W255-R259 HydrophobicContact CE3-CG 3.78Å; W255-R259 HydrophobicContact CH2-CG 3.64Å; W255-R259 HydrophobicContact CZ2-CG 3.75Å; W255-R259 HydrophobicContact CZ3-CG 3.65Å; W255-R259 VanDerWaalsContact O-CG 3.31Å; W255-R259 WeakPolarHBondContact O-CG 3.36Å; W255-R259 PolarHBondContact O-N 3.06Å; W255-Y426 HydrophobicContact CB-CD2 4.01Å; W255-Y426 HydrophobicContact CB-CE2 3.99Å; W255-Y426 AromaticContact CD1-CD2 3.91Å; W255-Y426 AromaticContact CD2-CD2 3.33Å; W255-Y426 HydrophobicContact CD2-CD2 3.33Å; W255-Y426 AromaticContact CD2-CE2 3.74Å; W255-Y426 HydrophobicContact CD2-CE2 3.74Å; W255-Y426 HydrophobicContact CD2-CG 4.25Å; W255-Y426 AromaticContact CE2-CD2 3.73Å; W255-Y426 AromaticContact CE3-CD2 3.62Å; W255-Y426 HydrophobicContact CE3-CD2 3.62Å; W255-Y426 AromaticContact CE3-CE2 3.61Å; W255-Y426 HydrophobicContact CE3-CE2 3.61Å; W255-Y426 HydrophobicContact CE3-CG 4.47Å; W255-Y426 AromaticContact CG-CD2 3.5Å; W255-Y426 HydrophobicContact CG-CD2 3.5Å; W255-Y426 AromaticContact CG-CE2 3.91Å; W255-Y426 HydrophobicContact CG-CE2 3.91Å; W255-Y426 HydrophobicContact CZ2-CD2 4.35Å; W255-Y426 HydrophobicContact CZ3-CD2 4.23Å; W255-Y426 HydrophobicContact CZ3-CE2 4.31Å; W255-L495 HydrophobicContact CH2-CD1 4Å; W255-L495 HydrophobicContact CZ2-CD1 4.16Å
256H96.9Very high96.5Very high63 Ų6342.5 Ų42.529%0.29221%0.207SC..Hα-helixtrans-65.8-41.7174.9-69.8-59.2000113.1Y226 Q252 A253 F254 W258 R259 K260 Y426Y226-H256 HydrophobicContact CD1-CB 4.3Å; Y226-H256 HydrophobicContact CE1-CB 3.39Å; Y226-H256 AromaticContact CE1-CD2 3.92Å; Y226-H256 AromaticContact CE1-CG 3.87Å; Q252-H256 PolarHBondContact O-CD2 3.48Å; Q252-H256 VanDerWaalsContact O-CD2 3.23Å; Q252-H256 PolarHBondContact O-N 3.41Å; A253-H256 PolarHBondContact O-N 3.37Å; F254-H256 VanDerWaalsContact C-N 3.27Å; F254-H256 PolarHBondContact O-N 2.69Å; H256-W258 VanDerWaalsContact C-N 3.32Å; H256-W258 PolarHBondContact O-N 3.33Å; H256-R259 PolarHBondContact O-N 3.49Å; H256-K260 WeakPolarHBondContact O-CG 3.33Å; H256-K260 PolarHBondContact O-N 2.95Å; H256-Y426 AromaticContact NE2-CZ 3.87Å; H256-Y426 PolarHBondContact NE2-OH 2.98Å; H256-Y426 VanDerWaalsContact NE2-OH 3.08Å
257E98Very high96.3Very high2 Ų249.1 Ų49.11%0.00925%0.25CS..Hα-helixtrans-62.6-40174.1-76-60.4101.900112N216 Y222 Y226 A253 F254 K260 G261 N262N216-E257 PolarHBondContact ND2-OE2 3.49Å; Y222-E257 HydrophobicContact CD1-CG 4.32Å; Y222-E257 HydrophobicContact CD2-CG 3.44Å; Y222-E257 VanDerWaalsContact CD2-CG 3.44Å; Y222-E257 HydrophobicContact CE2-CG 3.97Å; Y222-E257 HydrophobicContact CG-CG 3.63Å; Y226-E257 HydrophobicContact CE2-CG 4.1Å; Y226-E257 PolarHBondContact OH-OE1 3.28Å; A253-E257 PolarHBondContact O-N 3.37Å; F254-E257 PolarHBondContact O-N 2.87Å; F254-E257 VanDerWaalsContact O-N 3.15Å; E257-K260 PolarHBondContact O-N 2.87Å; E257-K260 IonicContact OE1-NZ 3.89Å; E257-G261 PolarHBondContact O-N 3.23Å; E257-G261 VanDerWaalsContact O-N 3.17Å; E257-N262 HydrophobicContact CB-CB 4.35Å; E257-N262 PolarHBondContact O-N 3.24Å; E257-N262 WeakPolarHBondContact OE2-CB 3.34Å; E257-N262 PolarHBondContact OE2-ND2 3.15Å
258W96.9Very high95.9Very high108 Ų10854.2 Ų54.241%0.40927%0.269SS..Hα-helixtrans-60.2-46.8174.8175.857.9000111.4F254 W255 H256 K260 G261 T263 D270F254-W258 HydrophobicContact CE1-CB 4.22Å; F254-W258 WeakPolarHBondContact O-CB 3.46Å; F254-W258 PolarHBondContact O-N 3.05Å; W255-W258 AromaticContact NE1-CZ3 3.91Å; W255-W258 WeakPolarHBondContact O-CB 3.29Å; W255-W258 PolarHBondContact O-N 3.15Å; H256-W258 VanDerWaalsContact C-N 3.32Å; H256-W258 PolarHBondContact O-N 3.33Å; W258-K260 VanDerWaalsContact C-N 3.3Å; W258-K260 PolarHBondContact O-N 3.28Å; W258-G261 WeakPolarHBondContact O-CA 3.5Å; W258-G261 PolarHBondContact O-N 3.17Å; W258-T263 HydrophobicContact CB-CG2 3.87Å; W258-D270 VanDerWaalsContact CD1-OD2 3.28Å; W258-D270 PolarHBondContact NE1-OD2 2.7Å
259R95.4Very high95.7Very high172 Ų17255.1 Ų55.165%0.64928%0.279SS*.Hα-helixtrans-63.4-33.1176.4-70.9-65.8-60.5177.1-1.4113.6W255 H256 G261W255-R259 HydrophobicContact CD2-CG 3.91Å; W255-R259 HydrophobicContact CE3-CG 3.78Å; W255-R259 HydrophobicContact CH2-CG 3.64Å; W255-R259 HydrophobicContact CZ2-CG 3.75Å; W255-R259 HydrophobicContact CZ3-CG 3.65Å; W255-R259 VanDerWaalsContact O-CG 3.31Å; W255-R259 WeakPolarHBondContact O-CG 3.36Å; W255-R259 PolarHBondContact O-N 3.06Å; H256-R259 PolarHBondContact O-N 3.49Å; R259-G261 PolarHBondContact O-N 2.79Å
260K97.2Very high95.7Very high120 Ų12053.8 Ų53.852%0.52228%0.276SS..THydrogen-bonded Turntrans-75-6.7173.1-69.8171-180176.10112.8Y226 H256 E257 W258 N262Y226-K260 PolarHBondContact OH-NZ 2.69Å; H256-K260 WeakPolarHBondContact O-CG 3.33Å; H256-K260 PolarHBondContact O-N 2.95Å; E257-K260 PolarHBondContact O-N 2.87Å; E257-K260 IonicContact OE1-NZ 3.89Å; W258-K260 VanDerWaalsContact C-N 3.3Å; W258-K260 PolarHBondContact O-N 3.28Å; K260-N262 VanDerWaalsContact C-N 3.28Å; K260-N262 PolarHBondContact O-N 2.86Å
261G97.3Very high95.8Very high35 Ų3553.8 Ų53.836%0.36128%0.276SS..THydrogen-bonded Turntrans71.422.1-175.600000113.2K217 E257 W258 R259K217-G261 VanDerWaalsContact CE-O 3.27Å; K217-G261 WeakPolarHBondContact CE-O 3.31Å; K217-G261 PolarHBondContact NZ-O 3.34Å; E257-G261 PolarHBondContact O-N 3.23Å; E257-G261 VanDerWaalsContact O-N 3.17Å; W258-G261 WeakPolarHBondContact O-CA 3.5Å; W258-G261 PolarHBondContact O-N 3.17Å; R259-G261 PolarHBondContact O-N 2.79Å
262N98.2Very high95.8Very high37 Ų3753.8 Ų53.820%0.19828%0.276CS..  trans-90.92.1-178.2-73.6-20.8000113.7N216 K217 E257 K260N216-N262 HydrophobicContact CB-CB 4.4Å; N216-N262 WeakPolarHBondContact CB-O 3.49Å; K217-N262 VanDerWaalsContact CB-O 3.31Å; K217-N262 WeakPolarHBondContact CB-O 3.47Å; K217-N262 VanDerWaalsContact CG-O 3.22Å; K217-N262 WeakPolarHBondContact CG-O 3.34Å; K217-N262 PolarHBondContact N-O 2.82Å; E257-N262 HydrophobicContact CB-CB 4.35Å; E257-N262 PolarHBondContact O-N 3.24Å; E257-N262 WeakPolarHBondContact OE2-CB 3.34Å; E257-N262 PolarHBondContact OE2-ND2 3.15Å; K260-N262 VanDerWaalsContact C-N 3.28Å; K260-N262 PolarHBondContact O-N 2.86Å
263T98.3Very high95.9Very high13 Ų1356.8 Ų56.88%0.0829%0.287CS..SBendtrans-81.4159.7173.248.60000112.3K217 F254 W258 V271 V272K217-T263 WeakPolarHBondContact CD-O 3.33Å; F254-T263 HydrophobicContact CE2-CG2 3.99Å; F254-T263 HydrophobicContact CZ-CG2 4.14Å; W258-T263 HydrophobicContact CB-CG2 3.87Å; T263-V271 WeakPolarHBondContact CA-O 3.28Å; T263-V271 WeakPolarHBondContact CB-O 3.45Å; T263-V272 HydrophobicContact CG2-CG1 4.12Å
264I97.6Very high96Very high32 Ų3256.7 Ų56.716%0.16429%0.287CS..BIsolated β-bridgetrans-84.7125.9170.9-55.790.8000108K217 T266 D270 V271 Y273K217-I264 HydrophobicContact CB-CD1 4.1Å; K217-I264 HydrophobicContact CB-CG1 3.74Å; I264-T266 HydrophobicContact CG2-CG2 4.43Å; I264-D270 CarbonylContact O-C 3.59Å; I264-D270 WeakPolarHBondContact O-CA 3.43Å; I264-V271 HydrophobicContact CB-CG2 3.91Å; I264-V271 WeakPolarHBondContact CD1-O 3.37Å; I264-V271 HydrophobicContact CG2-CG2 4.49Å; I264-V271 PolarHBondContact N-O 2.99Å; I264-V271 PolarHBondContact O-N 3.31Å; I264-Y273 HydrophobicContact CD1-CD2 3.57Å; I264-Y273 HydrophobicContact CD1-CE2 3.64Å; I264-Y273 HydrophobicContact CD1-CG 4.31Å; I264-Y273 HydrophobicContact CG1-CD2 4.16Å; I264-Y273 HydrophobicContact CG1-CE2 3.7Å
265S95.6Very high96Very high97 Ų9756.9 Ų56.968%0.67829%0.288SS*.PPolyproline II helixtrans-81.5132.5174.9-156.70000111.2D270S265-D270 VanDerWaalsContact CA-OD1 3.23Å; S265-D270 WeakPolarHBondContact CA-OD1 3.41Å; S265-D270 WeakPolarHBondContact CB-OD1 3.33Å; S265-D270 PolarHBondContact OG-OD1 2.98Å
266T92.6Very high96.1Very high36 Ų3654.3 Ų54.322%0.22128%0.278CS..  trans-132.9160.6177.385.60000110.3I264 R268 G269 V271I264-T266 HydrophobicContact CG2-CG2 4.43Å; T266-R268 PolarHBondContact O-N 3.43Å; T266-R268 PolarHBondContact OG1-N 2.92Å; T266-R268 VanDerWaalsContact OG1-N 3.13Å; T266-G269 WeakPolarHBondContact CB-O 3.44Å; T266-G269 PolarHBondContact N-O 3.07Å; T266-G269 PolarHBondContact O-N 3.35Å; T266-G269 PolarHBondContact OG1-N 3.07Å; T266-G269 PolarHBondContact OG1-O 3.06Å; T266-V271 HydrophobicContact CG2-CG1 4.17Å; T266-V271 HydrophobicContact CG2-CG2 3.6Å
267P89.3Confident96.1Very high145 Ų14556.8 Ų56.894%0.94229%0.285SS*.THydrogen-bonded Turntrans-58.2-17173.5-24.935000114.4
268R88Confident96.1Very high122 Ų12259.8 Ų59.846%0.4630%0.299SS..THydrogen-bonded Turntrans-104.916.6-179.7-61.8-179.1-175.1177.43.2112.4P197 T266 Y298P197-R268 HydrophobicContact CB-CB 3.84Å; P197-R268 WeakPolarHBondContact O-CD 3.27Å; T266-R268 PolarHBondContact O-N 3.43Å; T266-R268 PolarHBondContact OG1-N 2.92Å; T266-R268 VanDerWaalsContact OG1-N 3.13Å; R268-Y298 PolarHBondContact NH1-O 2.87Å
269G90.4Very high96.1Very high24 Ų2455.6 Ų55.625%0.24729%0.285CS..  trans100.8173.3-178.600000113.4T266T266-G269 WeakPolarHBondContact CB-O 3.44Å; T266-G269 PolarHBondContact N-O 3.07Å; T266-G269 PolarHBondContact O-N 3.35Å; T266-G269 PolarHBondContact OG1-N 3.07Å; T266-G269 PolarHBondContact OG1-O 3.06Å
270D96.2Very high96.1Very high42 Ų4249 Ų4923%0.22527%0.269CS..  trans-73.5141.1-178.2-61.7-48.8000111.6F254 W258 I264 S265F254-D270 WeakPolarHBondContact CZ-O 3.28Å; W258-D270 VanDerWaalsContact CD1-OD2 3.28Å; W258-D270 PolarHBondContact NE1-OD2 2.7Å; I264-D270 CarbonylContact O-C 3.59Å; I264-D270 WeakPolarHBondContact O-CA 3.43Å; S265-D270 VanDerWaalsContact CA-OD1 3.23Å; S265-D270 WeakPolarHBondContact CA-OD1 3.41Å; S265-D270 WeakPolarHBondContact CB-OD1 3.33Å; S265-D270 PolarHBondContact OG-OD1 2.98Å
271V98Very high96.1Very high0 Ų049 Ų490%027%0.271CS..BIsolated β-bridgetrans-136.2163.8-174.9-56.70000111.8P197 T263 I264 T266 P309 V310P197-V271 HydrophobicContact CB-CG1 3.7Å; P197-V271 HydrophobicContact CG-CG1 3.89Å; T263-V271 WeakPolarHBondContact CA-O 3.28Å; T263-V271 WeakPolarHBondContact CB-O 3.45Å; I264-V271 HydrophobicContact CB-CG2 3.91Å; I264-V271 WeakPolarHBondContact CD1-O 3.37Å; I264-V271 HydrophobicContact CG2-CG2 4.49Å; I264-V271 PolarHBondContact N-O 2.99Å; I264-V271 PolarHBondContact O-N 3.31Å; T266-V271 HydrophobicContact CG2-CG1 4.17Å; T266-V271 HydrophobicContact CG2-CG2 3.6Å; V271-P309 HydrophobicContact CB-CB 4.26Å; V271-P309 HydrophobicContact CG1-CB 4.35Å; V271-P309 HydrophobicContact CG2-CB 3.84Å; V271-V310 WeakPolarHBondContact CA-O 3.09Å; V271-V310 WeakPolarHBondContact CB-O 3.42Å
272V98.5Very high96.1Very high1 Ų155.5 Ų55.51%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-113.3175.4158.5-65.30000108.2L214 V215 Y222 F254 T263 V310L214-V272 HydrophobicContact CD2-CG2 4.21Å; V215-V272 WeakPolarHBondContact O-CB 3.44Å; Y222-V272 HydrophobicContact CE1-CB 4.27Å; Y222-V272 HydrophobicContact CE1-CG1 4.01Å; Y222-V272 HydrophobicContact CE1-CG2 4.45Å; F254-V272 HydrophobicContact CD2-CB 4.32Å; F254-V272 HydrophobicContact CD2-CG1 3.68Å; F254-V272 HydrophobicContact CD2-CG2 3.81Å; F254-V272 HydrophobicContact CE2-CB 4.46Å; F254-V272 HydrophobicContact CE2-CG1 3.9Å; F254-V272 HydrophobicContact CE2-CG2 4.18Å; T263-V272 HydrophobicContact CG2-CG1 4.12Å; V272-V310 HydrophobicContact CG2-CG2 3.9Å; V272-V310 PolarHBondContact N-O 2.92Å; V272-V310 PolarHBondContact O-N 2.95Å
273Y98.5Very high95.9Very high75 Ų7557.1 Ų57.129%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-105.4128.4178.5-80.9-52.2000111.3L214 V215 I264 P307 I308 P309L214-Y273 WeakPolarHBondContact CA-O 3.37Å; V215-Y273 PolarHBondContact N-O 2.83Å; V215-Y273 PolarHBondContact O-N 3.49Å; I264-Y273 HydrophobicContact CD1-CD2 3.57Å; I264-Y273 HydrophobicContact CD1-CE2 3.64Å; I264-Y273 HydrophobicContact CD1-CG 4.31Å; I264-Y273 HydrophobicContact CG1-CD2 4.16Å; I264-Y273 HydrophobicContact CG1-CE2 3.7Å; Y273-P307 HydrophobicContact CD1-CB 3.76Å; Y273-P307 HydrophobicContact CD1-CG 3.77Å; Y273-P307 HydrophobicContact CD2-CG 4.31Å; Y273-P307 HydrophobicContact CE1-CG 4.17Å; Y273-P307 HydrophobicContact CG-CB 3.85Å; Y273-P307 HydrophobicContact CG-CG 3.87Å; Y273-I308 WeakPolarHBondContact CA-O 3.37Å; Y273-P309 HydrophobicContact CD1-CB 4.48Å; Y273-P309 HydrophobicContact CE1-CB 4.17Å
274L98.6Very high95.7Very high0 Ų056.5 Ų56.50%029%0.291CS..EExtended strand (participates in β ladder)trans-88.9107.8161.5173.463.6000108.2T194 M203 C207 I213 L214 L276 I308 V310T194-L274 HydrophobicContact CG2-CD2 4.36Å; M203-L274 HydrophobicContact CB-CD2 4Å; M203-L274 HydrophobicContact CG-CD2 4.48Å; C207-L274 HydrophobicContact CB-CD1 4.42Å; C207-L274 HydrophobicContact CB-CD2 3.86Å; I213-L274 WeakPolarHBondContact O-CA 3.39Å; L214-L274 HydrophobicContact CD2-CB 4.11Å; L214-L274 HydrophobicContact CD2-CD1 4.23Å; L274-L276 HydrophobicContact CD1-CD2 3.94Å; L274-L276 HydrophobicContact CD2-CD2 4.5Å; L274-L276 HydrophobicContact CG-CD2 4.01Å; L274-L276 HydrophobicContact CG-CG 4.26Å; L274-I308 HydrophobicContact CB-CB 4.36Å; L274-I308 HydrophobicContact CD2-CD1 4.33Å; L274-I308 PolarHBondContact N-O 3.04Å; L274-I308 PolarHBondContact O-N 3.32Å; L274-V310 HydrophobicContact CB-CG1 3.91Å; L274-V310 HydrophobicContact CB-CG2 3.91Å; L274-V310 HydrophobicContact CD2-CG1 4.41Å
275D98.4Very high95.6Very high16 Ų1659 Ų599%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-100.8123-178.5-165.3-8.3000111G212 I213 R277 H278 P307G212-D275 WeakPolarHBondContact CA-O 3.36Å; I213-D275 HydrophobicContact CD1-CB 4.22Å; I213-D275 HydrophobicContact CG1-CB 3.73Å; I213-D275 PolarHBondContact N-O 3.03Å; I213-D275 PolarHBondContact O-N 3.5Å; D275-R277 WeakPolarHBondContact OD1-CB 3.36Å; D275-R277 VanDerWaalsContact OD1-CG 3.23Å; D275-R277 WeakPolarHBondContact OD1-CG 3.1Å; D275-R277 IonicContact OD1-CZ 3.49Å; D275-R277 PolarHBondContact OD1-N 2.64Å; D275-R277 IonicContact OD1-NE 3.7Å; D275-R277 PolarHBondContact OD1-NE 2.84Å; D275-R277 IonicContact OD1-NH2 3.5Å; D275-R277 IonicContact OD2-CZ 2.7Å; D275-R277 VanDerWaalsContact OD2-CZ 3.31Å; D275-R277 IonicContact OD2-NE 3.95Å; D275-R277 PolarHBondContact OD2-NE 3.16Å; D275-R277 VanDerWaalsContact OD2-NE 3.14Å; D275-R277 IonicContact OD2-NH2 3.81Å; D275-R277 PolarHBondContact OD2-NH2 3.44Å; D275-H278 PolarHBondContact O-CE1 3.08Å; D275-P307 HydrophobicContact CB-CB 4.13Å
276L97.9Very high95.4Very high0 Ų059.2 Ų59.20%029%0.292CS..  trans-118.6-1.5-177.6-54.9-175.4000112.7C207 G212 L274 H278 L279 L284 L288 P303 I308C207-L276 HydrophobicContact CB-CD1 4.39Å; C207-L276 HydrophobicContact CB-CD2 4.03Å; G212-L276 VanDerWaalsContact CA-CD2 3.43Å; L274-L276 HydrophobicContact CD1-CD2 3.94Å; L274-L276 HydrophobicContact CD2-CD2 4.5Å; L274-L276 HydrophobicContact CG-CD2 4.01Å; L274-L276 HydrophobicContact CG-CG 4.26Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 2.85Å; L276-L279 HydrophobicContact CB-CD1 4.36Å; L276-L279 HydrophobicContact CD2-CD1 4.24Å; L276-L279 VanDerWaalsContact O-CB 3.29Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 WeakPolarHBondContact O-CG 3.32Å; L276-L279 PolarHBondContact O-N 2.66Å; L276-L284 HydrophobicContact CB-CD1 4.48Å; L276-L284 HydrophobicContact CB-CD2 3.99Å; L276-L284 HydrophobicContact CD1-CD2 4.16Å; L276-L288 HydrophobicContact CD1-CD1 4.48Å; L276-P303 HydrophobicContact CD1-CB 4.16Å; L276-I308 HydrophobicContact CD1-CD1 3.94Å
277R97.6Very high95.4Very high116 Ų11659.8 Ų59.844%0.43829%0.29SS..G310 helixtrans-60.9-35.5-166.7-64.7173.6-65170.90112.8D275 L279 G280 K305D275-R277 WeakPolarHBondContact OD1-CB 3.36Å; D275-R277 VanDerWaalsContact OD1-CG 3.23Å; D275-R277 WeakPolarHBondContact OD1-CG 3.1Å; D275-R277 IonicContact OD1-CZ 3.49Å; D275-R277 PolarHBondContact OD1-N 2.64Å; D275-R277 IonicContact OD1-NE 3.7Å; D275-R277 PolarHBondContact OD1-NE 2.84Å; D275-R277 IonicContact OD1-NH2 3.5Å; D275-R277 IonicContact OD2-CZ 2.7Å; D275-R277 VanDerWaalsContact OD2-CZ 3.31Å; D275-R277 IonicContact OD2-NE 3.95Å; D275-R277 PolarHBondContact OD2-NE 3.16Å; D275-R277 VanDerWaalsContact OD2-NE 3.14Å; D275-R277 IonicContact OD2-NH2 3.81Å; D275-R277 PolarHBondContact OD2-NH2 3.44Å; R277-L279 PolarHBondContact O-N 2.81Å; R277-G280 PolarHBondContact O-N 2.8Å; R277-K305 VanDerWaalsContact CD-C 3.42Å; R277-K305 WeakPolarHBondContact CD-O 3.15Å
278H97Very high95.7Very high65 Ų6552.9 Ų52.930%0.30125%0.246SC..G310 helixtrans-68.2-16.2179.161.8-74.1000113.9G211 D275 L276 G280G211-H278 PolarHBondContact O-CE1 2.96Å; G211-H278 VanDerWaalsContact O-CE1 3.26Å; G211-H278 PolarHBondContact O-NE2 2.77Å; D275-H278 PolarHBondContact O-CE1 3.08Å; L276-H278 VanDerWaalsContact C-N 3.27Å; L276-H278 PolarHBondContact O-N 2.85Å; H278-G280 PolarHBondContact O-N 2.92Å
279L96.6Very high96Very high20 Ų2048.4 Ų48.411%0.10523%0.232CC..G310 helixtrans-70.8-23.5176.9-58.6-175.2000112.3E210 L276 R277 K283 L284E210-L279 HydrophobicContact CB-CD1 4.03Å; E210-L279 WeakPolarHBondContact O-CD2 3.18Å; L276-L279 HydrophobicContact CB-CD1 4.36Å; L276-L279 HydrophobicContact CD2-CD1 4.24Å; L276-L279 VanDerWaalsContact O-CB 3.29Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 WeakPolarHBondContact O-CG 3.32Å; L276-L279 PolarHBondContact O-N 2.66Å; R277-L279 PolarHBondContact O-N 2.81Å; L279-K283 HydrophobicContact CB-CD 4.4Å; L279-K283 WeakPolarHBondContact O-CB 3.42Å; L279-L284 HydrophobicContact CB-CD2 4.25Å; L279-L284 HydrophobicContact CB-CG 4.3Å; L279-L284 HydrophobicContact CD1-CD2 4.06Å
280G96.5Very high96.1Very high32 Ų3250 Ų5033%0.3323%0.233SC..  trans78.9149.1-179.200000113.7R277 H278 K282 K283 L284R277-G280 PolarHBondContact O-N 2.8Å; H278-G280 PolarHBondContact O-N 2.92Å; G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.38Å; G280-K283 PolarHBondContact O-N 3.21Å; G280-L284 WeakPolarHBondContact O-CG 3.37Å; G280-L284 PolarHBondContact O-N 2.85Å; G280-L284 VanDerWaalsContact O-N 3.12Å
281E97.2Very high96Very high121 Ų12148 Ų4857%0.56522%0.222SC*.Hα-helixtrans-53-45.9-174.5-178.6173.3-166.200113.3K283 L284 H285 V304E281-K283 PolarHBondContact O-N 2.96Å; E281-L284 PolarHBondContact O-N 3.38Å; E281-H285 VanDerWaalsContact CG-CD2 3.48Å; E281-H285 WeakPolarHBondContact CG-CD2 3.44Å; E281-H285 PolarHBondContact O-CD2 3.16Å; E281-H285 PolarHBondContact O-N 2.95Å; E281-H285 IonicContact OE1-NE2 3Å; E281-V304 HydrophobicContact CB-CG1 3.86Å; E281-V304 HydrophobicContact CB-CG2 4.43Å; E281-V304 HydrophobicContact CG-CG1 4.27Å; E281-V304 HydrophobicContact CG-CG2 4.35Å
282K96.3Very high95.9Very high172 Ų17248.2 Ų48.275%0.74822%0.223SC*.Hα-helixtrans-58.3-47.6-179.3-176-177.7176.6-175.50111.9G280 E286G280-K282 VanDerWaalsContact C-N 3.34Å; G280-K282 PolarHBondContact O-N 3.38Å; K282-E286 WeakPolarHBondContact O-CB 3.49Å; K282-E286 PolarHBondContact O-N 2.89Å; K282-E286 VanDerWaalsContact O-N 3.08Å
283K94.2Very high95.8Very high71 Ų7153.2 Ų53.231%0.30925%0.246SC..Hα-helixtrans-67.8-40.2-178.4-169.3177.9-179.6-168.30110.7E210 L279 G280 E281 E286 R287E210-K283 PolarHBondContact O-NZ 3.3Å; E210-K283 WeakPolarHBondContact OE2-CE 3.22Å; E210-K283 IonicContact OE2-NZ 3.2Å; E210-K283 PolarHBondContact OE2-NZ 3Å; L279-K283 HydrophobicContact CB-CD 4.4Å; L279-K283 WeakPolarHBondContact O-CB 3.42Å; G280-K283 PolarHBondContact O-N 3.21Å; E281-K283 PolarHBondContact O-N 2.96Å; K283-E286 PolarHBondContact O-N 3.29Å; K283-R287 HydrophobicContact CG-CG 4.17Å; K283-R287 WeakPolarHBondContact O-CB 3.34Å; K283-R287 PolarHBondContact O-N 3.05Å
284L95.8Very high95.5Very high0 Ų050.3 Ų50.30%024%0.236CC..Hα-helixtrans-61.8-47.1177.6-70.8175.1000112.1L276 L279 G280 E281 E286 L288 V304L276-L284 HydrophobicContact CB-CD1 4.48Å; L276-L284 HydrophobicContact CB-CD2 3.99Å; L276-L284 HydrophobicContact CD1-CD2 4.16Å; L279-L284 HydrophobicContact CB-CD2 4.25Å; L279-L284 HydrophobicContact CB-CG 4.3Å; L279-L284 HydrophobicContact CD1-CD2 4.06Å; G280-L284 WeakPolarHBondContact O-CG 3.37Å; G280-L284 PolarHBondContact O-N 2.85Å; G280-L284 VanDerWaalsContact O-N 3.12Å; E281-L284 PolarHBondContact O-N 3.38Å; L284-E286 VanDerWaalsContact C-N 3.33Å; L284-E286 PolarHBondContact O-N 2.74Å; L284-L288 HydrophobicContact CD2-CD1 4.04Å; L284-L288 CarbonylContact O-C 3.56Å; L284-L288 VanDerWaalsContact O-CA 3.27Å; L284-L288 WeakPolarHBondContact O-CA 3.31Å; L284-L288 PolarHBondContact O-N 2.98Å; L284-V304 HydrophobicContact CD1-CB 4.36Å; L284-V304 HydrophobicContact CD1-CG2 3.78Å
285H94.5Very high95.4Very high85 Ų8550.3 Ų50.339%0.39424%0.236SC..Hα-helixtrans-72-24.5178.6-71.4-48.1000114.1E281E281-H285 VanDerWaalsContact CG-CD2 3.48Å; E281-H285 WeakPolarHBondContact CG-CD2 3.44Å; E281-H285 PolarHBondContact O-CD2 3.16Å; E281-H285 PolarHBondContact O-N 2.95Å; E281-H285 IonicContact OE1-NE2 3Å
286E92.2Very high95.3Very high100 Ų10053.7 Ų53.747%0.46725%0.25SS..Hα-helixtrans-77.8-45.7174-176.4-170.3142.400112.1K282 K283 L284K282-E286 WeakPolarHBondContact O-CB 3.49Å; K282-E286 PolarHBondContact O-N 2.89Å; K282-E286 VanDerWaalsContact O-N 3.08Å; K283-E286 PolarHBondContact O-N 3.29Å; L284-E286 VanDerWaalsContact C-N 3.33Å; L284-E286 PolarHBondContact O-N 2.74Å
287R91.6Very high95.2Very high48 Ų4857.4 Ų57.418%0.18128%0.28CS..Hα-helixtrans-102.7-31.8-167-60.1-67.4170.3168.8-1.9114.3N72 E210 K283N72-R287 PolarHBondContact ND2-NH1 3.32Å; E210-R287 HydrophobicContact CG-CB 4.3Å; K283-R287 HydrophobicContact CG-CG 4.17Å; K283-R287 WeakPolarHBondContact O-CB 3.34Å; K283-R287 PolarHBondContact O-N 3.05Å
288L94.9Very high95Very high1 Ų157.5 Ų57.51%0.00528%0.282CS..  trans-13142.7-172.8-58.9171.9000112.8D89 T204 C207 E210 L276 L284 F290 I291 C292D89-L288 HydrophobicContact CB-CD2 4.31Å; D89-L288 WeakPolarHBondContact OD2-CA 3.46Å; T204-L288 HydrophobicContact CG2-CD2 3.85Å; C207-L288 HydrophobicContact CB-CD1 4.45Å; E210-L288 HydrophobicContact CB-CD1 4.28Å; E210-L288 HydrophobicContact CG-CD1 4.2Å; E210-L288 HydrophobicContact CG-CG 4.39Å; L276-L288 HydrophobicContact CD1-CD1 4.48Å; L284-L288 HydrophobicContact CD2-CD1 4.04Å; L284-L288 CarbonylContact O-C 3.56Å; L284-L288 VanDerWaalsContact O-CA 3.27Å; L284-L288 WeakPolarHBondContact O-CA 3.31Å; L284-L288 PolarHBondContact O-N 2.98Å; L288-F290 PolarHBondContact O-N 2.66Å; L288-I291 HydrophobicContact CB-CB 4.24Å; L288-I291 HydrophobicContact CB-CG1 4.49Å; L288-I291 HydrophobicContact CD2-CG1 4.39Å; L288-I291 PolarHBondContact O-N 3.32Å; L288-C292 PolarHBondContact O-N 3.3Å; L288-C292 PolarHBondContact O-SG 3.24Å
289P95Very high94.9Very high28 Ų2856 Ų5618%0.18228%0.277CS..Hα-helixtrans-63.3-40.9-176.825.6-34.5000113A88 D89 C292 E293A88-P289 HydrophobicContact CB-CG 4.44Å; D89-P289 WeakPolarHBondContact OD1-CD 3.48Å; D89-P289 WeakPolarHBondContact OD1-CG 3.2Å; P289-C292 WeakPolarHBondContact O-CB 3.41Å; P289-C292 PolarHBondContact O-N 3.18Å; P289-E293 WeakPolarHBondContact O-CG 3.03Å; P289-E293 PolarHBondContact O-N 2.79Å; P289-E293 VanDerWaalsContact O-N 3.14Å
290F93.5Very high94.8Very high57 Ų5758 Ų5825%0.2530%0.303CS..Hα-helixtrans-67.8-39.2-179.4-169-129.8000111.8E9 D89 K90 L288 C292 E293 L294E9-F290 HydrophobicContact CG-CD1 3.92Å; E9-F290 HydrophobicContact CG-CE1 4.25Å; E9-F290 WeakPolarHBondContact OE1-CD1 3.47Å; E9-F290 WeakPolarHBondContact OE1-CE1 3.35Å; D89-F290 VanDerWaalsContact CG-CB 3.43Å; D89-F290 VanDerWaalsContact CG-N 3.35Å; D89-F290 VanDerWaalsContact OD1-CB 3.26Å; D89-F290 WeakPolarHBondContact OD1-CB 3.4Å; D89-F290 PolarHBondContact OD1-N 3.06Å; D89-F290 VanDerWaalsContact OD1-N 3.1Å; D89-F290 WeakPolarHBondContact OD2-CA 3.27Å; D89-F290 WeakPolarHBondContact OD2-CB 3.41Å; D89-F290 PolarHBondContact OD2-N 3.39Å; K90-F290 HydrophobicContact CG-CB 4.11Å; K90-F290 HydrophobicContact CG-CG 4.39Å; L288-F290 PolarHBondContact O-N 2.66Å; F290-C292 VanDerWaalsContact C-N 3.28Å; F290-C292 PolarHBondContact O-N 3.16Å; F290-E293 WeakPolarHBondContact O-CB 3.37Å; F290-E293 PolarHBondContact O-N 3.19Å; F290-E293 VanDerWaalsContact O-N 3.1Å; F290-L294 HydrophobicContact CD1-CD1 3.84Å; F290-L294 HydrophobicContact CD1-CG 4.24Å; F290-L294 HydrophobicContact CD2-CG 4.41Å; F290-L294 HydrophobicContact CE1-CD1 3.6Å; F290-L294 HydrophobicContact CE1-CD2 4.24Å; F290-L294 HydrophobicContact CE1-CG 4.03Å; F290-L294 HydrophobicContact CE2-CD2 4.08Å; F290-L294 HydrophobicContact CE2-CG 4.19Å; F290-L294 HydrophobicContact CG-CD1 4.47Å; F290-L294 HydrophobicContact CG-CG 4.44Å; F290-L294 HydrophobicContact CZ-CD1 4.03Å; F290-L294 HydrophobicContact CZ-CD2 3.79Å; F290-L294 HydrophobicContact CZ-CG 3.99Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 3.14Å
291I94.2Very high94.8Very high0 Ų057.3 Ų57.30%029%0.292CS..Hα-helixtrans-59.1-41.6173-65.9-57.4000111.8E9 D89 M203 T204 L288 E293 L294 A295 I308E9-I291 WeakPolarHBondContact OE2-CD1 3.12Å; D89-I291 PolarHBondContact OD2-N 2.95Å; M203-I291 HydrophobicContact CB-CD1 4.46Å; M203-I291 HydrophobicContact CE-CD1 4.05Å; M203-I291 HydrophobicContact SD-CD1 4.24Å; M203-I291 HydrophobicContact SD-CG2 3.91Å; T204-I291 HydrophobicContact CG2-CD1 3.71Å; T204-I291 HydrophobicContact CG2-CG1 3.56Å; L288-I291 HydrophobicContact CB-CB 4.24Å; L288-I291 HydrophobicContact CB-CG1 4.49Å; L288-I291 HydrophobicContact CD2-CG1 4.39Å; L288-I291 PolarHBondContact O-N 3.32Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 3.42Å; I291-L294 HydrophobicContact CD1-CD1 4.46Å; I291-L294 PolarHBondContact O-N 3.26Å; I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 3.18Å; I291-I308 HydrophobicContact CG2-CD1 4.21Å
292C95.4Very high94.8Very high4 Ų453 Ų533%0.02727%0.273CS..Hα-helixtrans-61.3-39176.3-650000111.7L288 P289 F290 K296L288-C292 PolarHBondContact O-N 3.3Å; L288-C292 PolarHBondContact O-SG 3.24Å; P289-C292 WeakPolarHBondContact O-CB 3.41Å; P289-C292 PolarHBondContact O-N 3.18Å; F290-C292 VanDerWaalsContact C-N 3.28Å; F290-C292 PolarHBondContact O-N 3.16Å; C292-K296 WeakPolarHBondContact O-CD 3.28Å; C292-K296 VanDerWaalsContact O-CG 3.26Å; C292-K296 WeakPolarHBondContact O-CG 3.28Å; C292-K296 PolarHBondContact O-N 3.05Å
293E95.1Very high94.9Very high106 Ų10644.8 Ų44.850%0.49524%0.237SC..Hα-helixtrans-67-47174.9-68.1169.3-172.700111.5P289 F290 I291 K296 A297P289-E293 WeakPolarHBondContact O-CG 3.03Å; P289-E293 PolarHBondContact O-N 2.79Å; P289-E293 VanDerWaalsContact O-N 3.14Å; F290-E293 WeakPolarHBondContact O-CB 3.37Å; F290-E293 PolarHBondContact O-N 3.19Å; F290-E293 VanDerWaalsContact O-N 3.1Å; I291-E293 VanDerWaalsContact C-N 3.27Å; I291-E293 PolarHBondContact O-N 3.42Å; E293-K296 PolarHBondContact O-N 3.31Å; E293-A297 VanDerWaalsContact O-CB 3.28Å; E293-A297 WeakPolarHBondContact O-CB 3.38Å; E293-A297 PolarHBondContact O-N 2.83Å
294L94.3Very high95Very high14 Ų1442.9 Ų42.97%0.07323%0.231CC..Hα-helixtrans-63.7-44.9-178.7-70.2-179.9000112.5E9 I201 M203 F290 I291 K296 A297 Y298E9-L294 WeakPolarHBondContact OE1-CD1 3.3Å; I201-L294 HydrophobicContact CG2-CD1 3.99Å; I201-L294 HydrophobicContact CG2-CD2 4.48Å; M203-L294 HydrophobicContact CE-CB 3.82Å; M203-L294 HydrophobicContact CE-CD1 3.96Å; F290-L294 HydrophobicContact CD1-CD1 3.84Å; F290-L294 HydrophobicContact CD1-CG 4.24Å; F290-L294 HydrophobicContact CD2-CG 4.41Å; F290-L294 HydrophobicContact CE1-CD1 3.6Å; F290-L294 HydrophobicContact CE1-CD2 4.24Å; F290-L294 HydrophobicContact CE1-CG 4.03Å; F290-L294 HydrophobicContact CE2-CD2 4.08Å; F290-L294 HydrophobicContact CE2-CG 4.19Å; F290-L294 HydrophobicContact CG-CD1 4.47Å; F290-L294 HydrophobicContact CG-CG 4.44Å; F290-L294 HydrophobicContact CZ-CD1 4.03Å; F290-L294 HydrophobicContact CZ-CD2 3.79Å; F290-L294 HydrophobicContact CZ-CG 3.99Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 3.14Å; I291-L294 HydrophobicContact CD1-CD1 4.46Å; I291-L294 PolarHBondContact O-N 3.26Å; L294-K296 VanDerWaalsContact C-N 3.31Å; L294-K296 PolarHBondContact O-N 3.31Å; L294-A297 PolarHBondContact O-N 2.87Å; L294-Y298 HydrophobicContact CB-CD2 4.49Å; L294-Y298 HydrophobicContact CD2-CD2 3.97Å; L294-Y298 HydrophobicContact CD2-CE2 3.63Å; L294-Y298 WeakPolarHBondContact O-CD2 3.49Å; L294-Y298 PolarHBondContact O-N 2.78Å
295A95.9Very high95.1Very high0 Ų049.6 Ų49.60%026%0.261CS..Hα-helixtrans-59.6-43.8177.700000111.3I291 V299 G300 V301 P303 I308I291-A295 WeakPolarHBondContact O-CB 3.35Å; I291-A295 PolarHBondContact O-N 3.18Å; A295-V299 CarbonylContact O-C 3.24Å; A295-V299 WeakPolarHBondContact O-CG2 3.48Å; A295-V299 PolarHBondContact O-N 2.84Å; A295-V299 VanDerWaalsContact O-N 3.16Å; A295-G300 PolarHBondContact O-N 3.18Å; A295-V301 CarbonylContact C-O 3.59Å; A295-V301 VanDerWaalsContact C-O 3.23Å; A295-V301 PolarHBondContact O-N 2.9Å; A295-P303 HydrophobicContact CB-CG 3.53Å; A295-I308 HydrophobicContact CB-CD1 4.07Å; A295-I308 HydrophobicContact CB-CG1 4.14Å; A295-I308 HydrophobicContact CB-CG2 4.47Å
296K96.2Very high95.3Very high88 Ų8850.7 Ų50.738%0.38327%0.266SS..Hα-helixtrans-64.4-47176.1-71.8174.2-177.4-178.90111.5C292 E293 L294 G300 V301 D302C292-K296 WeakPolarHBondContact O-CD 3.28Å; C292-K296 VanDerWaalsContact O-CG 3.26Å; C292-K296 WeakPolarHBondContact O-CG 3.28Å; C292-K296 PolarHBondContact O-N 3.05Å; E293-K296 PolarHBondContact O-N 3.31Å; L294-K296 VanDerWaalsContact C-N 3.31Å; L294-K296 PolarHBondContact O-N 3.31Å; K296-G300 VanDerWaalsContact O-CA 3.27Å; K296-G300 WeakPolarHBondContact O-CA 3.38Å; K296-G300 PolarHBondContact O-N 2.86Å; K296-G300 VanDerWaalsContact O-N 3.16Å; K296-V301 WeakPolarHBondContact CA-O 3.48Å; K296-V301 VanDerWaalsContact CG-O 3.24Å; K296-V301 WeakPolarHBondContact CG-O 3.33Å; K296-V301 PolarHBondContact N-O 3.24Å; K296-V301 VanDerWaalsContact N-O 3.1Å; K296-D302 WeakPolarHBondContact CE-OD1 3.47Å; K296-D302 IonicContact NZ-OD1 2.96Å; K296-D302 PolarHBondContact NZ-OD1 3.42Å; K296-D302 IonicContact NZ-OD2 2.86Å; K296-D302 PolarHBondContact NZ-OD2 2.85Å
297A95.2Very high95.6Very high77 Ų7747.2 Ų47.264%0.63625%0.252SS*.Hα-helixtrans-69.2-40.3-173.900000113.6E293 L294E293-A297 VanDerWaalsContact O-CB 3.28Å; E293-A297 WeakPolarHBondContact O-CB 3.38Å; E293-A297 PolarHBondContact O-N 2.83Å; L294-A297 PolarHBondContact O-N 2.87Å
298Y93.7Very high95.9Very high118 Ų11844.9 Ų44.946%0.46324%0.243SC..Hα-helixtrans-103.9-25.2-168.5-71.6-80.7000114.7I201 R268 L294I201-Y298 HydrophobicContact CD1-CD1 3.46Å; I201-Y298 VanDerWaalsContact CD1-CD1 3.46Å; I201-Y298 HydrophobicContact CD1-CD2 3.67Å; I201-Y298 HydrophobicContact CD1-CE1 3.38Å; I201-Y298 HydrophobicContact CD1-CE2 3.61Å; I201-Y298 HydrophobicContact CD1-CG 3.59Å; I201-Y298 VanDerWaalsContact CD1-CZ 3.45Å; R268-Y298 PolarHBondContact NH1-O 2.87Å; L294-Y298 HydrophobicContact CB-CD2 4.49Å; L294-Y298 HydrophobicContact CD2-CD2 3.97Å; L294-Y298 HydrophobicContact CD2-CE2 3.63Å; L294-Y298 WeakPolarHBondContact O-CD2 3.49Å; L294-Y298 PolarHBondContact O-N 2.78Å
299V94.6Very high96Very high33 Ų3345.8 Ų45.820%0.225%0.249CC..Hα-helixtrans-128.91.7179.2-64.50000113.7L196 P197 A295 V301 I308 P309L196-V299 HydrophobicContact CB-CG1 4.36Å; L196-V299 HydrophobicContact CD1-CG1 4.27Å; L196-V299 HydrophobicContact CD1-CG2 4.49Å; L196-V299 HydrophobicContact CD2-CG1 4.16Å; L196-V299 HydrophobicContact CD2-CG2 4.06Å; P197-V299 HydrophobicContact CG-CG1 4.48Å; A295-V299 CarbonylContact O-C 3.24Å; A295-V299 WeakPolarHBondContact O-CG2 3.48Å; A295-V299 PolarHBondContact O-N 2.84Å; A295-V299 VanDerWaalsContact O-N 3.16Å; V299-V301 VanDerWaalsContact C-N 3.27Å; V299-V301 HydrophobicContact CG2-CB 4.18Å; V299-V301 HydrophobicContact CG2-CG2 4.16Å; V299-V301 PolarHBondContact O-N 2.88Å; V299-I308 HydrophobicContact CG2-CG2 4.39Å; V299-P309 HydrophobicContact CB-CG 4.28Å; V299-P309 HydrophobicContact CG1-CG 4.45Å; V299-P309 HydrophobicContact CG2-CG 4.36Å
300G95.3Very high96.2Very high63 Ų6344.4 Ų44.465%0.64924%0.24SC*.  trans70.720.2174.100000114.3A295 K296A295-G300 PolarHBondContact O-N 3.18Å; K296-G300 VanDerWaalsContact O-CA 3.27Å; K296-G300 WeakPolarHBondContact O-CA 3.38Å; K296-G300 PolarHBondContact O-N 2.86Å; K296-G300 VanDerWaalsContact O-N 3.16Å
301V96.2Very high96.3Very high18 Ų1844 Ų4411%0.10924%0.237CC..  trans-106.7133-175171.30000110.3A295 K296 V299 P303 E306 I308A295-V301 CarbonylContact C-O 3.59Å; A295-V301 VanDerWaalsContact C-O 3.23Å; A295-V301 PolarHBondContact O-N 2.9Å; K296-V301 WeakPolarHBondContact CA-O 3.48Å; K296-V301 VanDerWaalsContact CG-O 3.24Å; K296-V301 WeakPolarHBondContact CG-O 3.33Å; K296-V301 PolarHBondContact N-O 3.24Å; K296-V301 VanDerWaalsContact N-O 3.1Å; V299-V301 VanDerWaalsContact C-N 3.27Å; V299-V301 HydrophobicContact CG2-CB 4.18Å; V299-V301 HydrophobicContact CG2-CG2 4.16Å; V299-V301 PolarHBondContact O-N 2.88Å; V301-P303 WeakPolarHBondContact O-CD 3.21Å; V301-E306 HydrophobicContact CG1-CB 3.94Å; V301-E306 WeakPolarHBondContact CG1-O 3.41Å; V301-I308 HydrophobicContact CG1-CG1 4.23Å
302D97.6Very high96.5Very high29 Ų2944.2 Ų44.216%0.15524%0.238CC..  trans-92107.5166.7-171.3-3.8000110.1K296 V304 K305 E306K296-D302 WeakPolarHBondContact CE-OD1 3.47Å; K296-D302 IonicContact NZ-OD1 2.96Å; K296-D302 PolarHBondContact NZ-OD1 3.42Å; K296-D302 IonicContact NZ-OD2 2.86Å; K296-D302 PolarHBondContact NZ-OD2 2.85Å; D302-V304 PolarHBondContact O-N 3.35Å; D302-V304 PolarHBondContact OD1-N 3.38Å; D302-K305 HydrophobicContact CB-CB 4.47Å; D302-K305 HydrophobicContact CB-CG 4.49Å; D302-K305 PolarHBondContact O-N 3.36Å; D302-K305 IonicContact OD2-NZ 2.69Å; D302-E306 PolarHBondContact O-N 3.12Å
303P97.6Very high96.5Very high1 Ų144 Ų441%0.00624%0.237CC..THydrogen-bonded Turntrans-63.2-16.4-174.3-24.737.3000114.7L276 A295 V301 K305 E306 I308L276-P303 HydrophobicContact CD1-CB 4.16Å; A295-P303 HydrophobicContact CB-CG 3.53Å; V301-P303 WeakPolarHBondContact O-CD 3.21Å; P303-K305 VanDerWaalsContact C-N 3.28Å; P303-E306 WeakPolarHBondContact CA-O 3.1Å; P303-I308 HydrophobicContact CB-CD1 3.94Å; P303-I308 HydrophobicContact CB-CG1 4.14Å; P303-I308 HydrophobicContact CG-CD1 3.71Å; P303-I308 HydrophobicContact CG-CG1 3.93Å
304V97.4Very high96.6Very high30 Ų3039 Ų3918%0.18221%0.214CC..THydrogen-bonded Turntrans-68.3-30.71731800000111.1E281 L284 D302E281-V304 HydrophobicContact CB-CG1 3.86Å; E281-V304 HydrophobicContact CB-CG2 4.43Å; E281-V304 HydrophobicContact CG-CG1 4.27Å; E281-V304 HydrophobicContact CG-CG2 4.35Å; L284-V304 HydrophobicContact CD1-CB 4.36Å; L284-V304 HydrophobicContact CD1-CG2 3.78Å; D302-V304 PolarHBondContact O-N 3.35Å; D302-V304 PolarHBondContact OD1-N 3.38Å
305K97.8Very high96.7Very high142 Ų14239.2 Ų39.262%0.61721%0.214SC*.THydrogen-bonded Turntrans-114.2-30.8-169.4-57.1-178.9-170.6174.80113R277 D302 P303R277-K305 VanDerWaalsContact CD-C 3.42Å; R277-K305 WeakPolarHBondContact CD-O 3.15Å; D302-K305 HydrophobicContact CB-CB 4.47Å; D302-K305 HydrophobicContact CB-CG 4.49Å; D302-K305 PolarHBondContact O-N 3.36Å; D302-K305 IonicContact OD2-NZ 2.69Å; P303-K305 VanDerWaalsContact C-N 3.28Å
306E97.6Very high96.8Very high108 Ų10839.8 Ų39.851%0.50522%0.216SC..SBendtrans-139.2145-168.8-68.2176.499.100111.1V301 D302 P303V301-E306 HydrophobicContact CG1-CB 3.94Å; V301-E306 WeakPolarHBondContact CG1-O 3.41Å; D302-E306 PolarHBondContact O-N 3.12Å; P303-E306 WeakPolarHBondContact CA-O 3.1Å
307P97.9Very high96.9Very high26 Ų2635.7 Ų35.717%0.16920%0.199CC..PPolyproline II helixtrans-71.2147.4176.929.8-34.5000112.2Y273 D275Y273-P307 HydrophobicContact CD1-CB 3.76Å; Y273-P307 HydrophobicContact CD1-CG 3.77Å; Y273-P307 HydrophobicContact CD2-CG 4.31Å; Y273-P307 HydrophobicContact CE1-CG 4.17Å; Y273-P307 HydrophobicContact CG-CB 3.85Å; Y273-P307 HydrophobicContact CG-CG 3.87Å; D275-P307 HydrophobicContact CB-CB 4.13Å
308I98.2Very high97Very high0 Ų032.3 Ų32.30%017%0.17CC..EExtended strand (participates in β ladder)trans-86.9125.8-177.9-52.4167.7000109.5L196 M203 Y273 L274 L276 I291 A295 V299 V301 P303 V310L196-I308 HydrophobicContact CD2-CG2 3.57Å; M203-I308 HydrophobicContact CG-CG2 4.23Å; M203-I308 HydrophobicContact SD-CD1 4.17Å; M203-I308 HydrophobicContact SD-CG2 4.22Å; Y273-I308 WeakPolarHBondContact CA-O 3.37Å; L274-I308 HydrophobicContact CB-CB 4.36Å; L274-I308 HydrophobicContact CD2-CD1 4.33Å; L274-I308 PolarHBondContact N-O 3.04Å; L274-I308 PolarHBondContact O-N 3.32Å; L276-I308 HydrophobicContact CD1-CD1 3.94Å; I291-I308 HydrophobicContact CG2-CD1 4.21Å; A295-I308 HydrophobicContact CB-CD1 4.07Å; A295-I308 HydrophobicContact CB-CG1 4.14Å; A295-I308 HydrophobicContact CB-CG2 4.47Å; V299-I308 HydrophobicContact CG2-CG2 4.39Å; V301-I308 HydrophobicContact CG1-CG1 4.23Å; P303-I308 HydrophobicContact CB-CD1 3.94Å; P303-I308 HydrophobicContact CB-CG1 4.14Å; P303-I308 HydrophobicContact CG-CD1 3.71Å; P303-I308 HydrophobicContact CG-CG1 3.93Å; I308-V310 HydrophobicContact CB-CG1 4.44Å; I308-V310 HydrophobicContact CG2-CG1 4.01Å; I308-V310 PolarHBondContact O-N 2.89Å
309P98Very high97.2Very high19 Ų1926.7 Ų26.712%0.12315%0.148CC..EExtended strand (participates in β ladder)trans-69.4127.4172.229.2-34.1000110.1P197 V271 Y273 V299P197-P309 WeakPolarHBondContact CD-O 3.45Å; P197-P309 HydrophobicContact CG-CB 4.23Å; P197-P309 HydrophobicContact CG-CG 4.33Å; V271-P309 HydrophobicContact CB-CB 4.26Å; V271-P309 HydrophobicContact CG1-CB 4.35Å; V271-P309 HydrophobicContact CG2-CB 3.84Å; Y273-P309 HydrophobicContact CD1-CB 4.48Å; Y273-P309 HydrophobicContact CE1-CB 4.17Å; V299-P309 HydrophobicContact CB-CG 4.28Å; V299-P309 HydrophobicContact CG1-CG 4.45Å; V299-P309 HydrophobicContact CG2-CG 4.36Å
310V98.1Very high97.4Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-140.5156.4-177.5-62.20000112.6T194 G195 M203 L214 V271 V272 L274 I308T194-V310 HydrophobicContact CG2-CG2 4.24Å; G195-V310 CarbonylContact O-C 3.34Å; G195-V310 WeakPolarHBondContact O-CA 3.28Å; M203-V310 HydrophobicContact CG-CG1 4.11Å; L214-V310 HydrophobicContact CD2-CG2 3.9Å; V271-V310 WeakPolarHBondContact CA-O 3.09Å; V271-V310 WeakPolarHBondContact CB-O 3.42Å; V272-V310 HydrophobicContact CG2-CG2 3.9Å; V272-V310 PolarHBondContact N-O 2.92Å; V272-V310 PolarHBondContact O-N 2.95Å; L274-V310 HydrophobicContact CB-CG1 3.91Å; L274-V310 HydrophobicContact CB-CG2 3.91Å; L274-V310 HydrophobicContact CD2-CG1 4.41Å; I308-V310 HydrophobicContact CB-CG1 4.44Å; I308-V310 HydrophobicContact CG2-CG1 4.01Å; I308-V310 PolarHBondContact O-N 2.89Å
311R96.9Very high97.6Very high47 Ų4722.1 Ų22.118%0.17711%0.107CC..EExtended strand (participates in β ladder)trans-148.9161.8174.162.2177.8-69.6161.71.4111.5P193 G195 F254 T313P193-R311 CarbonylContact C-O 3.37Å; P193-R311 CarbonylContact O-C 3.59Å; G195-R311 WeakPolarHBondContact CA-O 3.4Å; G195-R311 PolarHBondContact N-O 3.1Å; G195-R311 PolarHBondContact O-N 3.4Å; F254-R311 HydrophobicContact CE2-CB 4.07Å; F254-R311 HydrophobicContact CZ-CB 3.9Å; R311-T313 HydrophobicContact CG-CG2 4.49Å
312P97.1Very high97.7Very high5 Ų522.7 Ų22.73%0.03211%0.109CC..EExtended strand (participates in β ladder)trans-61.4142.3170.7-25.836.2000113.1Y191 H192 F254 I425Y191-P312 HydrophobicContact CD1-CB 4.05Å; H192-P312 CarbonylContact O-C 3.57Å; H192-P312 VanDerWaalsContact O-CA 3.24Å; H192-P312 WeakPolarHBondContact O-CA 3.17Å; F254-P312 HydrophobicContact CB-CG 3.63Å; F254-P312 HydrophobicContact CD1-CG 3.43Å; F254-P312 VanDerWaalsContact CD1-CG 3.43Å; F254-P312 HydrophobicContact CD2-CG 4.25Å; F254-P312 VanDerWaalsContact CE1-CD 3.49Å; F254-P312 HydrophobicContact CE1-CG 4.15Å; F254-P312 HydrophobicContact CG-CG 3.5Å; F254-P312 VanDerWaalsContact CG-CG 3.5Å; P312-I425 HydrophobicContact CB-CD1 3.64Å; P312-I425 HydrophobicContact CG-CD1 4.06Å
313T96.6Very high97.8Very high1 Ų121.6 Ų21.61%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-144.6144.2178.853.50000111T163 Y191 H192 R311 H315T163-T313 VanDerWaalsContact CG2-OG1 3.22Å; T163-T313 WeakPolarHBondContact CG2-OG1 3.44Å; Y191-T313 CarbonylContact C-O 3.53Å; Y191-T313 VanDerWaalsContact CA-O 3.27Å; Y191-T313 WeakPolarHBondContact CA-O 3.37Å; H192-T313 PolarHBondContact N-O 3.21Å; H192-T313 PolarHBondContact O-N 3.24Å; R311-T313 HydrophobicContact CG-CG2 4.49Å; T313-H315 PolarHBondContact O-N 2.92Å
314A97Very high97.8Very high0 Ų024.5 Ų24.50%012%0.119CC..EExtended strand (participates in β ladder)trans-57.1129.1174.800000110.1Y159 Y161 N162 T163 V189 Y191Y159-A314 HydrophobicContact CD1-CB 4.24Å; Y159-A314 HydrophobicContact CD2-CB 3.9Å; Y159-A314 HydrophobicContact CG-CB 3.7Å; Y161-A314 PolarHBondContact O-N 3.05Å; Y161-A314 VanDerWaalsContact O-N 3.11Å; N162-A314 CarbonylContact C-O 3.58Å; N162-A314 WeakPolarHBondContact CA-O 3.49Å; N162-A314 HydrophobicContact CB-CB 4.18Å; N162-A314 WeakPolarHBondContact CB-O 2.99Å; T163-A314 PolarHBondContact N-O 3.31Å; V189-A314 HydrophobicContact CG1-CB 4.33Å; Y191-A314 HydrophobicContact CE1-CB 4.38Å; Y191-A314 HydrophobicContact CE2-CB 4.11Å
315H96.9Very high97.8Very high19 Ų1927.8 Ų27.89%0.08813%0.132CC..EExtended strand (participates in β ladder)trans-127.7-48.9-164.7-178.848.2000113.6T163 N164 Q190 H192 R247 T313 R350T163-H315 HydrophobicContact CG2-CB 4.18Å; T163-H315 PolarHBondContact OG1-ND1 3.18Å; N164-H315 PolarHBondContact ND2-O 3.43Å; Q190-H315 WeakPolarHBondContact O-CA 3.06Å; Q190-H315 WeakPolarHBondContact O-CB 3.32Å; Q190-H315 PolarHBondContact O-N 3.07Å; H192-H315 HydrophobicContact CB-CB 3.76Å; H192-H315 AromaticContact CD2-CD2 3.85Å; H192-H315 AromaticContact CD2-NE2 3.93Å; R247-H315 PolarHBondContact NH1-CD2 2.81Å; R247-H315 VanDerWaalsContact NH1-CD2 3.31Å; R247-H315 PolarHBondContact NH1-NE2 3.03Å; T313-H315 PolarHBondContact O-N 2.92Å; H315-R350 PolarHBondContact CD2-NH2 3.15Å; H315-R350 PolarHBondContact NE2-NH2 2.77Å
316Y97.2Very high97.9Very high11 Ų1123.4 Ų23.44%0.04312%0.116CC..EExtended strand (participates in β ladder)trans-142139.3-174.8-162.5-100000112.2V189 Q190 M318 E339 H346 E358V189-Y316 CarbonylContact C-O 3.54Å; V189-Y316 WeakPolarHBondContact CA-O 3.48Å; Q190-Y316 PolarHBondContact N-O 2.91Å; Q190-Y316 PolarHBondContact O-N 3.44Å; Y316-M318 HydrophobicContact CD1-CG 4.13Å; Y316-M318 HydrophobicContact CD1-SD 4.14Å; Y316-M318 VanDerWaalsContact O-SD 3.37Å; Y316-E339 WeakPolarHBondContact CA-OE1 3.42Å; Y316-E339 HydrophobicContact CD1-CG 4.36Å; Y316-E339 HydrophobicContact CD2-CB 4.35Å; Y316-E339 HydrophobicContact CD2-CG 3.65Å; Y316-E339 WeakPolarHBondContact CD2-OE2 3.44Å; Y316-E339 HydrophobicContact CE1-CG 4.05Å; Y316-E339 HydrophobicContact CE2-CB 3.59Å; Y316-E339 HydrophobicContact CE2-CG 3.33Å; Y316-E339 WeakPolarHBondContact CE2-OE2 3.11Å; Y316-E339 HydrophobicContact CG-CG 4.19Å; Y316-E339 WeakPolarHBondContact OH-CA 3.24Å; Y316-H346 AromaticContact CE1-CD2 3.63Å; Y316-H346 AromaticContact CE1-NE2 3.74Å; Y316-H346 AromaticContact CZ-NE2 4Å; Y316-E358 PolarHBondContact OH-OE2 2.89Å
317T97.5Very high97.9Very high2 Ų218.3 Ų18.31%0.0129%0.092CC..EExtended strand (participates in β ladder)trans-90109.4170.6-37.30000108.2A155 M173 M186 G319 E339 M478A155-T317 PolarHBondContact N-OG1 2.98Å; M173-T317 HydrophobicContact CE-CG2 4.02Å; M186-T317 HydrophobicContact CE-CG2 3.87Å; M186-T317 HydrophobicContact SD-CG2 4.45Å; T317-G319 WeakPolarHBondContact CG2-O 3.24Å; T317-E339 PolarHBondContact N-OE1 3.17Å; T317-E339 PolarHBondContact OG1-OE1 2.91Å; T317-M478 HydrophobicContact CG2-CE 3.82Å
318M98Very high98Very high6 Ų617.5 Ų17.53%0.039%0.086CC..SBendtrans-78.8-27179.6-71.878.681.500112.2F188 Q190 Y316 H346 A348 R350 A491F188-M318 VanDerWaalsContact C-CE 3.42Å; F188-M318 HydrophobicContact CB-CB 4.14Å; F188-M318 HydrophobicContact CB-CE 3.71Å; F188-M318 WeakPolarHBondContact O-CE 3.42Å; F188-M318 PolarHBondContact O-N 2.86Å; Q190-M318 HydrophobicContact CB-CE 3.7Å; Q190-M318 HydrophobicContact CB-SD 3.35Å; Q190-M318 WeakPolarHBondContact CB-SD 2.86Å; Q190-M318 VanDerWaalsContact N-CE 3.26Å; Q190-M318 PolarHBondContact N-SD 3.45Å; Y316-M318 HydrophobicContact CD1-CG 4.13Å; Y316-M318 HydrophobicContact CD1-SD 4.14Å; Y316-M318 VanDerWaalsContact O-SD 3.37Å; M318-H346 HydrophobicContact CB-CB 4.11Å; M318-H346 HydrophobicContact CG-CB 3.85Å; M318-A348 WeakPolarHBondContact CE-O 3.46Å; M318-R350 HydrophobicContact CG-CB 4.02Å; M318-A491 HydrophobicContact CE-CB 3.44Å; M318-A491 VanDerWaalsContact CE-CB 3.44Å
319G98.4Very high98Very high0 Ų017.8 Ų17.80%09%0.087CC..  trans-81.2177.8166.600000113.3R184 T317R184-G319 CarbonylContact O-C 3.55Å; R184-G319 WeakPolarHBondContact O-CA 3.24Å; T317-G319 WeakPolarHBondContact CG2-O 3.24Å
320G98.7Very high98Very high0 Ų022.6 Ų22.60%010%0.103CC..EExtended strand (participates in β ladder)trans160.1-161.8-178.500000111.7L183 R184 E322 C340L183-G320 CarbonylContact C-O 3.45Å; L183-G320 VanDerWaalsContact CA-O 3.31Å; L183-G320 WeakPolarHBondContact CA-O 3.38Å; R184-G320 PolarHBondContact N-O 2.94Å; R184-G320 PolarHBondContact O-N 2.79Å; G320-E322 PolarHBondContact O-N 3.36Å; G320-C340 CarbonylContact C-O 3.3Å; G320-C340 WeakPolarHBondContact CA-O 3.43Å
321I98.9Very high98Very high0 Ų023 Ų230%011%0.105CC..EExtended strand (participates in β ladder)trans-56.2118.8176.4-57156.7000109.1M150 M173 A176 V181 L183 T323 T329 A336 C340 S341 S342M150-I321 HydrophobicContact CB-CD1 4.3Å; M150-I321 HydrophobicContact CE-CD1 3.74Å; M150-I321 HydrophobicContact SD-CD1 3.72Å; M173-I321 HydrophobicContact CB-CG1 4.49Å; M173-I321 HydrophobicContact CG-CG1 4.27Å; A176-I321 HydrophobicContact CB-CB 4.45Å; A176-I321 HydrophobicContact CB-CD1 4.05Å; A176-I321 HydrophobicContact CB-CG1 3.71Å; A176-I321 HydrophobicContact CB-CG2 3.9Å; V181-I321 HydrophobicContact CG1-CG2 3.68Å; L183-I321 HydrophobicContact CD2-CG1 4.17Å; I321-T323 PolarHBondContact O-N 3.18Å; I321-T329 HydrophobicContact CG2-CG2 3.6Å; I321-A336 HydrophobicContact CB-CB 4Å; I321-A336 HydrophobicContact CD1-CB 3.88Å; I321-A336 HydrophobicContact CG2-CB 4Å; I321-C340 HydrophobicContact CD1-CB 4.15Å; I321-C340 WeakPolarHBondContact CD1-O 3.48Å; I321-C340 VanDerWaalsContact CG1-O 3.26Å; I321-C340 WeakPolarHBondContact CG1-O 3.21Å; I321-C340 PolarHBondContact N-O 3.32Å; I321-S341 CarbonylContact O-C 3.54Å; I321-S341 WeakPolarHBondContact O-CA 3.4Å; I321-S342 PolarHBondContact O-N 3.38Å
322E98.8Very high98Very high30 Ų3024.6 Ų24.614%0.1411%0.114CC..EExtended strand (participates in β ladder)trans-59.6128.8175.7-177.8-143.8-125.400110.4P182 R184 G320 R330 L512P182-E322 HydrophobicContact CG-CB 4Å; P182-E322 PolarHBondContact O-N 3.27Å; P182-E322 VanDerWaalsContact O-N 3.08Å; R184-E322 HydrophobicContact CB-CB 4.33Å; G320-E322 PolarHBondContact O-N 3.36Å; E322-R330 IonicContact OE1-CZ 2.76Å; E322-R330 IonicContact OE1-NE 3.16Å; E322-R330 PolarHBondContact OE1-NE 2.98Å; E322-R330 IonicContact OE1-NH2 2.73Å; E322-R330 PolarHBondContact OE1-NH2 3.08Å; E322-R330 WeakPolarHBondContact OE2-CG 3.17Å; E322-R330 IonicContact OE2-CZ 3.87Å; E322-R330 IonicContact OE2-NE 3.05Å; E322-R330 PolarHBondContact OE2-NE 3.17Å; E322-R330 IonicContact OE2-NH2 2.75Å; E322-L512 HydrophobicContact CG-CD2 4.35Å
323T98.8Very high98.1Very high6 Ų624.4 Ų24.44%0.03711%0.112CC..  trans-129.5157.9168.470.30000110.8I321 C327 E328 T329 A336 S342 V343I321-T323 PolarHBondContact O-N 3.18Å; T323-C327 WeakPolarHBondContact CG2-O 3.37Å; T323-E328 CarbonylContact C-O 3.58Å; T323-E328 VanDerWaalsContact CA-O 3.28Å; T323-E328 WeakPolarHBondContact CA-O 3.26Å; T323-T329 HydrophobicContact CG2-CG2 4.12Å; T323-A336 HydrophobicContact CG2-CB 3.84Å; T323-S342 PolarHBondContact N-O 3.16Å; T323-V343 WeakPolarHBondContact OG1-CA 3.45Å
324D98.4Very high98.2Very high63 Ų6324.3 Ų24.334%0.33711%0.112SC..  trans-72.9179.7163.8751.1000111.7N326 C327 E328D324-N326 PolarHBondContact O-N 3.26Å; D324-N326 VanDerWaalsContact O-N 3.08Å; D324-N326 VanDerWaalsContact OD1-C 3.32Å; D324-N326 VanDerWaalsContact OD1-CA 3.28Å; D324-N326 WeakPolarHBondContact OD1-CA 3.41Å; D324-N326 WeakPolarHBondContact OD1-CB 3.43Å; D324-N326 PolarHBondContact OD1-N 2.96Å; D324-N326 PolarHBondContact OD2-ND2 3.43Å; D324-C327 PolarHBondContact O-N 3.26Å; D324-C327 PolarHBondContact OD1-N 2.86Å; D324-E328 PolarHBondContact N-O 3.48Å; D324-E328 PolarHBondContact OD1-N 2.8Å
325Q98Very high98.3Very high98 Ų9824.4 Ų24.446%0.45811%0.112SC..THydrogen-bonded Turntrans-60.5-15.3177.167.1179.747.900114.1D40 V41 L365D40-Q325 PolarHBondContact OD2-OE1 2.75Å; V41-Q325 HydrophobicContact CG2-CB 4Å; Q325-L365 WeakPolarHBondContact O-CD2 3.37Å
326N98.4Very high98.4Very high51 Ų5123.5 Ų23.527%0.27311%0.108SC..THydrogen-bonded Turntrans-97.89.4177.7-52.6-56.3000112D324 E328 Q369D324-N326 PolarHBondContact O-N 3.26Å; D324-N326 VanDerWaalsContact O-N 3.08Å; D324-N326 VanDerWaalsContact OD1-C 3.32Å; D324-N326 VanDerWaalsContact OD1-CA 3.28Å; D324-N326 WeakPolarHBondContact OD1-CA 3.41Å; D324-N326 WeakPolarHBondContact OD1-CB 3.43Å; D324-N326 PolarHBondContact OD1-N 2.96Å; D324-N326 PolarHBondContact OD2-ND2 3.43Å; N326-E328 PolarHBondContact O-N 3.34Å; N326-Q369 HydrophobicContact CB-CG 4.14Å
327C98.8Very high98.5Very high1 Ų123.6 Ų23.61%0.00711%0.109CC..SBendtrans67.511.8-176.9-49.10000114.7T323 D324 F335 A336 V337 A366T323-C327 WeakPolarHBondContact CG2-O 3.37Å; D324-C327 PolarHBondContact O-N 3.26Å; D324-C327 PolarHBondContact OD1-N 2.86Å; C327-F335 HydrophobicContact CB-CD1 4.49Å; C327-F335 CarbonylContact O-C 3.17Å; C327-F335 WeakPolarHBondContact O-CA 3.23Å; C327-F335 WeakPolarHBondContact O-CB 3.38Å; C327-F335 WeakPolarHBondContact O-CD1 3.37Å; C327-A336 PolarHBondContact O-N 3.45Å; C327-V337 HydrophobicContact CB-CG1 4.1Å; C327-A366 HydrophobicContact CB-CB 3.87Å
328E98.8Very high98.4Very high9 Ų923.6 Ų23.64%0.04211%0.11CC..BIsolated β-bridgetrans-88.7138.8177.5-161.6178.9-136.600110.6T323 D324 N326 K332 G333 F335 R373T323-E328 CarbonylContact C-O 3.58Å; T323-E328 VanDerWaalsContact CA-O 3.28Å; T323-E328 WeakPolarHBondContact CA-O 3.26Å; D324-E328 PolarHBondContact N-O 3.48Å; D324-E328 PolarHBondContact OD1-N 2.8Å; N326-E328 PolarHBondContact O-N 3.34Å; E328-K332 WeakPolarHBondContact OE2-CD 3.19Å; E328-K332 IonicContact OE2-NZ 3.76Å; E328-K332 PolarHBondContact OE2-NZ 2.74Å; E328-G333 PolarHBondContact OE1-N 2.55Å; E328-F335 HydrophobicContact CB-CD1 3.82Å; E328-F335 HydrophobicContact CB-CE1 3.59Å; E328-F335 HydrophobicContact CB-CZ 4.31Å; E328-F335 HydrophobicContact CG-CD1 4.18Å; E328-F335 HydrophobicContact CG-CE1 3.84Å; E328-F335 HydrophobicContact CG-CZ 4.06Å; E328-R373 IonicContact OE1-CZ 2.68Å; E328-R373 IonicContact OE1-NE 3.83Å; E328-R373 PolarHBondContact OE1-NE 2.73Å; E328-R373 IonicContact OE1-NH2 3.43Å; E328-R373 PolarHBondContact OE1-NH2 2.97Å; E328-R373 IonicContact OE2-CZ 3.45Å; E328-R373 IonicContact OE2-NH2 3.37Å; E328-R373 PolarHBondContact OE2-NH2 2.96Å
329T98.8Very high98.4Very high5 Ų524.3 Ų24.33%0.03111%0.114CC..  trans-82.8-175.8174.972.80000111.5V181 I321 T323 I331 L334 A336V181-T329 HydrophobicContact CG1-CG2 4.23Å; I321-T329 HydrophobicContact CG2-CG2 3.6Å; T323-T329 HydrophobicContact CG2-CG2 4.12Å; T329-I331 PolarHBondContact O-N 2.88Å; T329-I331 PolarHBondContact OG1-N 2.85Å; T329-I331 VanDerWaalsContact OG1-N 3.11Å; T329-I331 PolarHBondContact OG1-O 2.96Å; T329-L334 WeakPolarHBondContact CB-O 3.23Å; T329-L334 HydrophobicContact CG2-CD2 4.36Å; T329-L334 HydrophobicContact CG2-CG 4.15Å; T329-L334 WeakPolarHBondContact CG2-O 3.38Å; T329-L334 PolarHBondContact N-O 3.36Å; T329-L334 WeakPolarHBondContact OG1-CB 3.14Å; T329-L334 PolarHBondContact OG1-O 2.87Å; T329-A336 HydrophobicContact CG2-CB 4.49Å
330R97.6Very high98.4Very high120 Ų12024.3 Ų24.345%0.45311%0.114SC..SBendtrans-63.4-22.7170.4-57.5-174.2-179.9-148-3.4113.4E322E322-R330 IonicContact OE1-CZ 2.76Å; E322-R330 IonicContact OE1-NE 3.16Å; E322-R330 PolarHBondContact OE1-NE 2.98Å; E322-R330 IonicContact OE1-NH2 2.73Å; E322-R330 PolarHBondContact OE1-NH2 3.08Å; E322-R330 WeakPolarHBondContact OE2-CG 3.17Å; E322-R330 IonicContact OE2-CZ 3.87Å; E322-R330 IonicContact OE2-NE 3.05Å; E322-R330 PolarHBondContact OE2-NE 3.17Å; E322-R330 IonicContact OE2-NH2 2.75Å
331I98.4Very high98.4Very high9 Ų924.5 Ų24.55%0.04612%0.115CC..SBendtrans-88.9120173.8-62.7168.8000108.2I120 V122 G125 V127 H179 V181 T329 G333 L334I120-I331 HydrophobicContact CD1-CD1 4.43Å; V122-I331 HydrophobicContact CG1-CD1 4.3Å; V122-I331 HydrophobicContact CG1-CG1 4.45Å; V122-I331 HydrophobicContact CG1-CG2 3.93Å; V122-I331 HydrophobicContact CG2-CD1 4Å; V122-I331 HydrophobicContact CG2-CG2 4.26Å; G125-I331 CarbonylContact O-C 3.57Å; G125-I331 WeakPolarHBondContact O-CA 3.37Å; V127-I331 HydrophobicContact CB-CG2 4.08Å; H179-I331 HydrophobicContact CB-CD1 3.7Å; V181-I331 HydrophobicContact CG2-CD1 3.57Å; V181-I331 HydrophobicContact CG2-CG1 3.85Å; T329-I331 PolarHBondContact O-N 2.88Å; T329-I331 PolarHBondContact OG1-N 2.85Å; T329-I331 VanDerWaalsContact OG1-N 3.11Å; T329-I331 PolarHBondContact OG1-O 2.96Å; I331-G333 PolarHBondContact O-N 3.37Å; I331-L334 HydrophobicContact CB-CB 3.92Å; I331-L334 HydrophobicContact CB-CD2 3.95Å; I331-L334 HydrophobicContact CD1-CD2 3.81Å; I331-L334 HydrophobicContact CG1-CD2 4.42Å; I331-L334 HydrophobicContact CG2-CB 3.94Å; I331-L334 HydrophobicContact CG2-CD2 4.32Å; I331-L334 WeakPolarHBondContact O-CB 3.22Å; I331-L334 PolarHBondContact O-N 3.23Å
332K98Very high98.4Very high81 Ų8124.8 Ų24.835%0.35212%0.117SC..BIsolated β-bridgetrans-64.8128.7-176.8-66.9-47.8-169.1-173.90111.7G125 H126 V127 E328 L334G125-K332 PolarHBondContact O-N 2.84Å; H126-K332 WeakPolarHBondContact CA-O 3.49Å; H126-K332 VanDerWaalsContact CD2-CB 3.48Å; H126-K332 WeakPolarHBondContact CD2-CB 3.14Å; V127-K332 PolarHBondContact N-O 2.79Å; E328-K332 WeakPolarHBondContact OE2-CD 3.19Å; E328-K332 IonicContact OE2-NZ 3.76Å; E328-K332 PolarHBondContact OE2-NZ 2.74Å; K332-L334 VanDerWaalsContact C-N 3.28Å; K332-L334 PolarHBondContact O-N 2.92Å
333G98.3Very high98.3Very high0 Ų023.5 Ų23.50%011%0.111CC..THydrogen-bonded Turntrans78.5-1.8-172.900000116.5V127 A147 V148 E328 I331 F335V127-G333 VanDerWaalsContact CG1-O 3.24Å; V127-G333 WeakPolarHBondContact CG1-O 3.18Å; A147-G333 CarbonylContact C-O 3.46Å; A147-G333 VanDerWaalsContact CA-O 3.25Å; A147-G333 WeakPolarHBondContact CA-O 3.32Å; V148-G333 PolarHBondContact N-O 2.85Å; E328-G333 PolarHBondContact OE1-N 2.55Å; I331-G333 PolarHBondContact O-N 3.37Å; G333-F335 VanDerWaalsContact O-CD2 3.29Å; G333-F335 WeakPolarHBondContact O-CD2 3.47Å; G333-F335 WeakPolarHBondContact O-CE2 3.44Å
334L98.8Very high98.3Very high0 Ų023.4 Ų23.40%011%0.111CC..EExtended strand (participates in β ladder)trans-92.2115.9168.8-176.465.5000108.8I120 V127 V148 M150 V181 T329 I331 K332I120-L334 HydrophobicContact CD1-CD1 4.34Å; I120-L334 HydrophobicContact CD1-CD2 3.66Å; V127-L334 HydrophobicContact CB-CB 4.11Å; V127-L334 HydrophobicContact CG1-CB 4.21Å; V127-L334 HydrophobicContact CG2-CD1 4.34Å; V148-L334 HydrophobicContact CB-CD1 4.04Å; V148-L334 HydrophobicContact CG1-CD1 4.08Å; M150-L334 HydrophobicContact CE-CD1 3.52Å; M150-L334 HydrophobicContact CE-CD2 3.62Å; M150-L334 HydrophobicContact CE-CG 3.66Å; M150-L334 HydrophobicContact CG-CD1 4.26Å; V181-L334 HydrophobicContact CG2-CD2 4.42Å; T329-L334 WeakPolarHBondContact CB-O 3.23Å; T329-L334 HydrophobicContact CG2-CD2 4.36Å; T329-L334 HydrophobicContact CG2-CG 4.15Å; T329-L334 WeakPolarHBondContact CG2-O 3.38Å; T329-L334 PolarHBondContact N-O 3.36Å; T329-L334 WeakPolarHBondContact OG1-CB 3.14Å; T329-L334 PolarHBondContact OG1-O 2.87Å; I331-L334 HydrophobicContact CB-CB 3.92Å; I331-L334 HydrophobicContact CB-CD2 3.95Å; I331-L334 HydrophobicContact CD1-CD2 3.81Å; I331-L334 HydrophobicContact CG1-CD2 4.42Å; I331-L334 HydrophobicContact CG2-CB 3.94Å; I331-L334 HydrophobicContact CG2-CD2 4.32Å; I331-L334 WeakPolarHBondContact O-CB 3.22Å; I331-L334 PolarHBondContact O-N 3.23Å; K332-L334 VanDerWaalsContact C-N 3.28Å; K332-L334 PolarHBondContact O-N 2.92Å
335F98.9Very high98.3Very high2 Ų220.5 Ų20.51%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-110.3157.4177.3-59.5-95.3000110.2A147 V148 V149 M150 C327 E328 G333 A366 Q369 A370 R373A147-F335 HydrophobicContact CB-CE2 4.23Å; V148-F335 PolarHBondContact O-N 3.29Å; V149-F335 HydrophobicContact CB-CB 4.42Å; V149-F335 HydrophobicContact CG1-CB 4.3Å; V149-F335 HydrophobicContact CG2-CB 4.11Å; V149-F335 HydrophobicContact CG2-CD2 4.47Å; M150-F335 PolarHBondContact N-O 2.92Å; C327-F335 HydrophobicContact CB-CD1 4.49Å; C327-F335 CarbonylContact O-C 3.17Å; C327-F335 WeakPolarHBondContact O-CA 3.23Å; C327-F335 WeakPolarHBondContact O-CB 3.38Å; C327-F335 WeakPolarHBondContact O-CD1 3.37Å; E328-F335 HydrophobicContact CB-CD1 3.82Å; E328-F335 HydrophobicContact CB-CE1 3.59Å; E328-F335 HydrophobicContact CB-CZ 4.31Å; E328-F335 HydrophobicContact CG-CD1 4.18Å; E328-F335 HydrophobicContact CG-CE1 3.84Å; E328-F335 HydrophobicContact CG-CZ 4.06Å; G333-F335 VanDerWaalsContact O-CD2 3.29Å; G333-F335 WeakPolarHBondContact O-CD2 3.47Å; G333-F335 WeakPolarHBondContact O-CE2 3.44Å; F335-A366 HydrophobicContact CB-CB 4.36Å; F335-Q369 HydrophobicContact CD1-CB 4.23Å; F335-Q369 HydrophobicContact CE1-CB 3.42Å; F335-Q369 VanDerWaalsContact CE1-CB 3.42Å; F335-Q369 HydrophobicContact CZ-CB 3.86Å; F335-A370 HydrophobicContact CD2-CB 3.86Å; F335-A370 VanDerWaalsContact CE2-CA 3.48Å; F335-A370 HydrophobicContact CE2-CB 3.77Å; F335-A370 HydrophobicContact CZ-CB 4.42Å; F335-R373 HydrophobicContact CE2-CB 4.22Å; F335-R373 HydrophobicContact CZ-CB 4.15Å
336A98.9Very high98.3Very high0 Ų016.1 Ų16.10%08%0.075CC..EExtended strand (participates in β ladder)trans-142.5136.8173.500000111.7M150 I321 T323 C327 T329 S341M150-A336 HydrophobicContact CB-CB 4.14Å; M150-A336 CarbonylContact O-C 3.57Å; M150-A336 WeakPolarHBondContact O-CA 3.18Å; I321-A336 HydrophobicContact CB-CB 4Å; I321-A336 HydrophobicContact CD1-CB 3.88Å; I321-A336 HydrophobicContact CG2-CB 4Å; T323-A336 HydrophobicContact CG2-CB 3.84Å; C327-A336 PolarHBondContact O-N 3.45Å; T329-A336 HydrophobicContact CG2-CB 4.49Å; A336-S341 VanDerWaalsContact O-CB 3.27Å; A336-S341 WeakPolarHBondContact O-CB 3.29Å; A336-S341 PolarHBondContact O-OG 2.93Å
337V98.5Very high98.2Very high12 Ų1214 Ų147%0.0737%0.065CC..  trans-139.8155.9-177-630000112.6V149 M150 A151 C327 C340 S341 F362 A366V149-V337 HydrophobicContact CG1-CG1 4.41Å; V149-V337 HydrophobicContact CG1-CG2 3.89Å; M150-V337 PolarHBondContact O-N 2.86Å; A151-V337 HydrophobicContact CB-CG2 3.9Å; C327-V337 HydrophobicContact CB-CG1 4.1Å; V337-C340 PolarHBondContact O-SG 3.3Å; V337-S341 WeakPolarHBondContact CA-OG 3.38Å; V337-F362 HydrophobicContact CG1-CB 4.3Å; V337-F362 WeakPolarHBondContact CG1-O 3.31Å; V337-A366 HydrophobicContact CG1-CB 3.37Å
338G97Very high98.2Very high3 Ų313.9 Ų13.93%0.0316%0.064CC..G310 helixtrans71.1-156.5-177.900000112C340 S341G338-C340 PolarHBondContact O-N 2.78Å; G338-C340 VanDerWaalsContact O-N 3.08Å; G338-S341 PolarHBondContact O-N 3.44Å; G338-S341 PolarHBondContact O-OG 3.28Å
339E97.5Very high98.1Very high21 Ų2113.5 Ų13.510%0.0986%0.062CC..G310 helixtrans-67.6-14.8-168.5-165.8180165.400114.7G154 M173 Y316 T317 S341G154-E339 VanDerWaalsContact CA-CG 3.46Å; M173-E339 WeakPolarHBondContact CE-O 3.45Å; Y316-E339 WeakPolarHBondContact CA-OE1 3.42Å; Y316-E339 HydrophobicContact CD1-CG 4.36Å; Y316-E339 HydrophobicContact CD2-CB 4.35Å; Y316-E339 HydrophobicContact CD2-CG 3.65Å; Y316-E339 WeakPolarHBondContact CD2-OE2 3.44Å; Y316-E339 HydrophobicContact CE1-CG 4.05Å; Y316-E339 HydrophobicContact CE2-CB 3.59Å; Y316-E339 HydrophobicContact CE2-CG 3.33Å; Y316-E339 WeakPolarHBondContact CE2-OE2 3.11Å; Y316-E339 HydrophobicContact CG-CG 4.19Å; Y316-E339 WeakPolarHBondContact OH-CA 3.24Å; T317-E339 PolarHBondContact N-OE1 3.17Å; T317-E339 PolarHBondContact OG1-OE1 2.91Å; E339-S341 VanDerWaalsContact C-N 3.26Å
340C98.3Very high98Very high0 Ų013.8 Ų13.80%06%0.063CC..G310 helixtrans-74.3-18.4171.961.30000112.9M150 T152 G153 G320 I321 V337 G338M150-C340 PolarHBondContact O-SG 2.7Å; M150-C340 VanDerWaalsContact O-SG 3.41Å; T152-C340 VanDerWaalsContact OG1-CB 3.31Å; T152-C340 WeakPolarHBondContact OG1-CB 3.39Å; G153-C340 WeakPolarHBondContact O-CA 3.34Å; G153-C340 WeakPolarHBondContact O-CB 3.49Å; G153-C340 PolarHBondContact O-N 3.41Å; G320-C340 CarbonylContact C-O 3.3Å; G320-C340 WeakPolarHBondContact CA-O 3.43Å; I321-C340 HydrophobicContact CD1-CB 4.15Å; I321-C340 WeakPolarHBondContact CD1-O 3.48Å; I321-C340 VanDerWaalsContact CG1-O 3.26Å; I321-C340 WeakPolarHBondContact CG1-O 3.21Å; I321-C340 PolarHBondContact N-O 3.32Å; V337-C340 PolarHBondContact O-SG 3.3Å; G338-C340 PolarHBondContact O-N 2.78Å; G338-C340 VanDerWaalsContact O-N 3.08Å
341S98.6Very high98Very high4 Ų48.3 Ų8.33%0.0284%0.043CC..EExtended strand (participates in β ladder)trans-109.4165.4-172.977.60000112.9I321 A336 V337 G338 E339I321-S341 CarbonylContact O-C 3.54Å; I321-S341 WeakPolarHBondContact O-CA 3.4Å; A336-S341 VanDerWaalsContact O-CB 3.27Å; A336-S341 WeakPolarHBondContact O-CB 3.29Å; A336-S341 PolarHBondContact O-OG 2.93Å; V337-S341 WeakPolarHBondContact CA-OG 3.38Å; G338-S341 PolarHBondContact O-N 3.44Å; G338-S341 PolarHBondContact O-OG 3.28Å; E339-S341 VanDerWaalsContact C-N 3.26Å
342S98.6Very high97.7Very high6 Ų68 Ų84%0.0424%0.041CC..EExtended strand (participates in β ladder)trans-130.994.5168.5-162.10000108.1R184 I321 T323R184-S342 PolarHBondContact NE-OG 3.32Å; R184-S342 PolarHBondContact NH2-O 2.96Å; R184-S342 PolarHBondContact NH2-OG 2.81Å; I321-S342 PolarHBondContact O-N 3.38Å; T323-S342 PolarHBondContact N-O 3.16Å
343V98.2Very high97.5Very high3 Ų34.3 Ų4.32%0.0183%0.026CC..  trans-84.3-25.1172.3670000112.6V41 T323 L345 F362V41-V343 HydrophobicContact CG1-CB 4.46Å; V41-V343 HydrophobicContact CG1-CG1 3.96Å; V41-V343 HydrophobicContact CG1-CG2 3.88Å; V41-V343 HydrophobicContact CG2-CG2 4.39Å; T323-V343 WeakPolarHBondContact OG1-CA 3.45Å; V343-L345 HydrophobicContact CG1-CB 4.26Å; V343-F362 HydrophobicContact CG1-CD1 4.41Å; V343-F362 HydrophobicContact CG1-CD2 4.09Å; V343-F362 HydrophobicContact CG1-CE1 4.23Å; V343-F362 HydrophobicContact CG1-CE2 3.88Å; V343-F362 HydrophobicContact CG1-CG 4.35Å; V343-F362 HydrophobicContact CG1-CZ 3.96Å; V343-F362 HydrophobicContact CG2-CD1 4.24Å; V343-F362 HydrophobicContact CG2-CE1 4.02Å; V343-F362 HydrophobicContact CG2-CZ 4.46Å
344G97.9Very high97.5Very high3 Ų34.3 Ų4.33%0.0313%0.026CC..SBendtrans126.91.4172.800000114.2C37 E38C37-G344 CarbonylContact C-O 3.58Å; C37-G344 VanDerWaalsContact CA-O 3.26Å; C37-G344 WeakPolarHBondContact CA-O 3.48Å; E38-G344 PolarHBondContact N-O 3.32Å
345L98.5Very high97.4Very high2 Ų25.4 Ų5.41%0.013%0.033CC..SBendtrans-64.7-46.8-170.617863.8000113.8T29 C37 V42 F45 V343 E358 F362T29-L345 HydrophobicContact CG2-CD1 4.05Å; C37-L345 PolarHBondContact SG-O 3.1Å; V42-L345 HydrophobicContact CG2-CD1 4.25Å; F45-L345 HydrophobicContact CB-CD1 3.86Å; F45-L345 HydrophobicContact CD1-CD1 3.52Å; F45-L345 HydrophobicContact CD1-CD2 4.45Å; F45-L345 HydrophobicContact CD2-CD1 4.08Å; F45-L345 HydrophobicContact CD2-CD2 3.91Å; F45-L345 HydrophobicContact CE1-CD1 4.01Å; F45-L345 HydrophobicContact CE1-CD2 4.33Å; F45-L345 HydrophobicContact CE2-CD2 3.78Å; F45-L345 HydrophobicContact CG-CD1 3.54Å; F45-L345 HydrophobicContact CG-CD2 4.23Å; F45-L345 HydrophobicContact CZ-CD1 4.46Å; F45-L345 HydrophobicContact CZ-CD2 3.99Å; V343-L345 HydrophobicContact CG1-CB 4.26Å; L345-E358 HydrophobicContact CD2-CB 3.86Å; L345-E358 HydrophobicContact CD2-CG 3.92Å; L345-F362 HydrophobicContact CB-CE2 4.47Å; L345-F362 HydrophobicContact CD2-CE2 4.15Å
346H97.6Very high97.3Very high7 Ų75.5 Ų5.53%0.0323%0.034CC..SBendtrans-91.4-23.6-164.2-61.5-52.6000114.9G33 Y316 M318 N349 R350 E358G33-H346 WeakPolarHBondContact CA-O 3.27Å; Y316-H346 AromaticContact CE1-CD2 3.63Å; Y316-H346 AromaticContact CE1-NE2 3.74Å; Y316-H346 AromaticContact CZ-NE2 4Å; M318-H346 HydrophobicContact CB-CB 4.11Å; M318-H346 HydrophobicContact CG-CB 3.85Å; H346-N349 CarbonylContact O-C 3.42Å; H346-N349 PolarHBondContact O-N 2.79Å; H346-R350 HydrophobicContact CB-CB 4.03Å; H346-R350 VanDerWaalsContact ND1-CG 3.29Å; H346-R350 WeakPolarHBondContact ND1-CG 3.29Å; H346-E358 IonicContact CD2-OE1 3.43Å; H346-E358 IonicContact CD2-OE2 3.66Å; H346-E358 IonicContact CE1-OE2 3.75Å; H346-E358 PolarHBondContact CE1-OE2 3.21Å; H346-E358 IonicContact NE2-OE1 3.58Å; H346-E358 PolarHBondContact NE2-OE1 3.3Å; H346-E358 IonicContact NE2-OE2 2.89Å; H346-E358 PolarHBondContact NE2-OE2 3Å
347G96.8Very high97.2Very high5 Ų55.5 Ų5.55%0.0523%0.034CC..THydrogen-bonded Turntrans52.7-138-170.800000113.4L36 N349L36-G347 VanDerWaalsContact C-CA 3.48Å; L36-G347 WeakPolarHBondContact O-CA 3.28Å; G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 2.97Å
348A97.6Very high97.2Very high0 Ų05.1 Ų5.10%03%0.031CC..THydrogen-bonded Turntrans-75.3-12.3-17400000114.3G33 D34 L36 F188 M318 R489 A491G33-A348 PolarHBondContact O-N 3.48Å; D34-A348 HydrophobicContact CB-CB 4.19Å; L36-A348 HydrophobicContact CB-CB 4.29Å; L36-A348 HydrophobicContact CD1-CB 4.23Å; F188-A348 HydrophobicContact CD1-CB 3.68Å; F188-A348 WeakPolarHBondContact CD1-O 3.21Å; F188-A348 HydrophobicContact CE1-CB 3.36Å; F188-A348 HydrophobicContact CE2-CB 4.32Å; F188-A348 HydrophobicContact CG-CB 4.28Å; F188-A348 HydrophobicContact CZ-CB 3.71Å; M318-A348 WeakPolarHBondContact CE-O 3.46Å; A348-R489 HydrophobicContact CB-CB 4.29Å; A348-R489 HydrophobicContact CB-CG 3.59Å; A348-A491 PolarHBondContact O-N 2.9Å
349N97.5Very high97.2Very high1 Ų17.7 Ų7.71%0.0054%0.044CC..SBendtrans-160.6129.9177.2172.266.7000112.1G32 G33 Q190 D248 H346 G347 R538G32-N349 CarbonylContact C-O 3.58Å; G32-N349 VanDerWaalsContact C-O 3.24Å; G32-N349 WeakPolarHBondContact O-CB 3.4Å; G32-N349 PolarHBondContact O-ND2 2.8Å; G33-N349 WeakPolarHBondContact CA-O 3.42Å; G33-N349 PolarHBondContact N-O 2.99Å; Q190-N349 PolarHBondContact NE2-OD1 3.14Å; D248-N349 PolarHBondContact OD1-ND2 3Å; H346-N349 CarbonylContact O-C 3.42Å; H346-N349 PolarHBondContact O-N 2.79Å; G347-N349 VanDerWaalsContact C-N 3.26Å; G347-N349 PolarHBondContact O-N 2.97Å; N349-R538 PolarHBondContact ND2-NH2 3.48Å
350R97.2Very high97.2Very high10 Ų107.3 Ų7.34%0.0384%0.044CC..PPolyproline II helixtrans-75.6128.2-179.1172.517472.815110.4113.2Q190 H315 M318 H346 S355Q190-R350 PolarHBondContact NE2-O 3.18Å; H315-R350 PolarHBondContact CD2-NH2 3.15Å; H315-R350 PolarHBondContact NE2-NH2 2.77Å; M318-R350 HydrophobicContact CG-CB 4.02Å; H346-R350 HydrophobicContact CB-CB 4.03Å; H346-R350 VanDerWaalsContact ND1-CG 3.29Å; H346-R350 WeakPolarHBondContact ND1-CG 3.29Å; R350-S355 PolarHBondContact NH1-OG 3.31Å
351L96Very high97.2Very high6 Ų67.4 Ų7.43%0.0314%0.044CC..PPolyproline II helixtrans-63.9141.7167.2-17469.6000110.5D28 M79D28-L351 HydrophobicContact CB-CD2 3.88Å; M79-L351 HydrophobicContact CE-CD2 4.26Å; M79-L351 HydrophobicContact CE-CG 4.39Å; M79-L351 HydrophobicContact CG-CD1 4.27Å; M79-L351 HydrophobicContact CG-CD2 4.35Å; M79-L351 HydrophobicContact CG-CG 4.45Å
352G92.8Very high97.2Very high2 Ų27.4 Ų7.42%0.0214%0.043CC..THydrogen-bonded Turntrans-51.9147.8174.500000112.2M79 N354M79-G352 WeakPolarHBondContact CE-O 3.34Å; G352-N354 PolarHBondContact O-N 3.48Å
353S94.7Very high97.2Very high3 Ų38.5 Ų8.52%0.0216%0.056CC..THydrogen-bonded Turntrans56.9-3.7179.567.90000119.1G11 A13 M79 T84 S355G11-S353 WeakPolarHBondContact O-CB 3.47Å; A13-S353 PolarHBondContact N-O 2.71Å; M79-S353 WeakPolarHBondContact CE-OG 3.49Å; T84-S353 VanDerWaalsContact CG2-CB 3.41Å; T84-S353 WeakPolarHBondContact OG1-CB 3.41Å; T84-S353 PolarHBondContact OG1-OG 2.95Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.35Å
354N97.2Very high97.2Very high0 Ų014.8 Ų14.80%08%0.079CC..Hα-helixtrans-64.9-27.8174.2-83.16.9000113.3A13 H25 T29 F45 G352 L356 A357 E358A13-N354 WeakPolarHBondContact CB-OD1 3.32Å; H25-N354 PolarHBondContact NE2-OD1 3.1Å; H25-N354 VanDerWaalsContact NE2-OD1 3.08Å; T29-N354 VanDerWaalsContact CG2-ND2 3.32Å; T29-N354 WeakPolarHBondContact CG2-ND2 3.16Å; T29-N354 PolarHBondContact OG1-ND2 3.09Å; F45-N354 HydrophobicContact CE1-CB 4.25Å; F45-N354 HydrophobicContact CZ-CB 3.98Å; G352-N354 PolarHBondContact O-N 3.48Å; N354-L356 PolarHBondContact O-N 2.84Å; N354-A357 PolarHBondContact O-N 3.1Å; N354-E358 WeakPolarHBondContact O-CB 3.25Å; N354-E358 PolarHBondContact O-N 3.37Å
355S96.3Very high97.3Very high23 Ų2315.1 Ų15.116%0.1618%0.081CC..Hα-helixtrans-69.2-35.6-173.457.50000115.6R350 S353 A357 E358 L359R350-S355 PolarHBondContact NH1-OG 3.31Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.35Å; S355-A357 VanDerWaalsContact C-N 3.3Å; S355-E358 WeakPolarHBondContact O-CB 3.36Å; S355-E358 PolarHBondContact O-N 3.36Å; S355-L359 WeakPolarHBondContact O-CG 3.07Å; S355-L359 PolarHBondContact O-N 2.92Å
356L97Very high97.3Very high5 Ų515 Ų153%0.0268%0.08CC..Hα-helixtrans-71.1-34.2176.7-74.9-174.9000110.9T5 A8 T91 M95 N354 L359T5-L356 HydrophobicContact CG2-CD2 3.86Å; A8-L356 HydrophobicContact CB-CD1 3.93Å; A8-L356 HydrophobicContact CB-CD2 3.75Å; A8-L356 HydrophobicContact CB-CG 4.11Å; T91-L356 HydrophobicContact CG2-CD1 3.88Å; M95-L356 HydrophobicContact CE-CB 4.08Å; M95-L356 HydrophobicContact SD-CB 3.96Å; M95-L356 HydrophobicContact SD-CD1 3.78Å; M95-L356 HydrophobicContact SD-CD2 4.19Å; M95-L356 HydrophobicContact SD-CG 4.2Å; N354-L356 PolarHBondContact O-N 2.84Å; L356-L359 HydrophobicContact CD2-CD1 3.98Å
357A98Very high97.3Very high0 Ų016.3 Ų16.30%010%0.095CC..Hα-helixtrans-67.2-38.5172.800000111.4S12 F45 M53 N354 S355 L359 V360 V361S12-A357 WeakPolarHBondContact OG-CA 3.45Å; S12-A357 WeakPolarHBondContact OG-CB 3.33Å; S12-A357 PolarHBondContact OG-N 3.41Å; F45-A357 HydrophobicContact CE2-CB 3.71Å; F45-A357 HydrophobicContact CZ-CB 3.62Å; M53-A357 HydrophobicContact CE-CB 4.26Å; N354-A357 PolarHBondContact O-N 3.1Å; S355-A357 VanDerWaalsContact C-N 3.3Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.17Å; A357-V360 WeakPolarHBondContact O-CG2 3.26Å; A357-V360 PolarHBondContact O-N 2.94Å; A357-V361 WeakPolarHBondContact O-CB 3.34Å; A357-V361 WeakPolarHBondContact O-CG2 3.49Å; A357-V361 PolarHBondContact O-N 3.39Å
358E97.9Very high97.4Very high3 Ų319.9 Ų19.91%0.01411%0.11CC..Hα-helixtrans-56.9-43.4177.9179.3-174-157.100111.4F45 Y316 L345 H346 N354 S355 V360 F362F45-E358 HydrophobicContact CE2-CB 4.32Å; Y316-E358 PolarHBondContact OH-OE2 2.89Å; L345-E358 HydrophobicContact CD2-CB 3.86Å; L345-E358 HydrophobicContact CD2-CG 3.92Å; H346-E358 IonicContact CD2-OE1 3.43Å; H346-E358 IonicContact CD2-OE2 3.66Å; H346-E358 IonicContact CE1-OE2 3.75Å; H346-E358 PolarHBondContact CE1-OE2 3.21Å; H346-E358 IonicContact NE2-OE1 3.58Å; H346-E358 PolarHBondContact NE2-OE1 3.3Å; H346-E358 IonicContact NE2-OE2 2.89Å; H346-E358 PolarHBondContact NE2-OE2 3Å; N354-E358 WeakPolarHBondContact O-CB 3.25Å; N354-E358 PolarHBondContact O-N 3.37Å; S355-E358 WeakPolarHBondContact O-CB 3.36Å; S355-E358 PolarHBondContact O-N 3.36Å; E358-V360 VanDerWaalsContact C-N 3.29Å; E358-V360 PolarHBondContact O-N 2.91Å; E358-F362 HydrophobicContact CB-CD2 4.42Å; E358-F362 HydrophobicContact CG-CD2 3.75Å; E358-F362 HydrophobicContact CG-CE2 4.32Å; E358-F362 WeakPolarHBondContact O-CB 3.39Å; E358-F362 PolarHBondContact O-N 2.85Å
359L96.9Very high97.4Very high57 Ų5722.4 Ų22.430%0.29812%0.122SC..Hα-helixtrans-56.7-42.7179.5-62.2-178.5000112.4T5 S355 L356 A357 G363T5-L359 HydrophobicContact CG2-CD1 3.82Å; S355-L359 WeakPolarHBondContact O-CG 3.07Å; S355-L359 PolarHBondContact O-N 2.92Å; L356-L359 HydrophobicContact CD2-CD1 3.98Å; A357-L359 VanDerWaalsContact C-N 3.29Å; A357-L359 PolarHBondContact O-N 3.17Å; L359-G363 WeakPolarHBondContact O-CA 3.16Å; L359-G363 PolarHBondContact O-N 2.84Å
360V97.8Very high97.5Very high14 Ų1422.9 Ų22.99%0.08513%0.126CC..Hα-helixtrans-88.7-35.4-174.2-65.60000112.8E52 M53 L56 M95 A357 E358 R364E52-V360 HydrophobicContact CB-CB 4.06Å; E52-V360 HydrophobicContact CB-CG2 3.54Å; E52-V360 HydrophobicContact CG-CB 4.47Å; E52-V360 HydrophobicContact CG-CG2 4.24Å; M53-V360 HydrophobicContact CE-CG2 3.32Å; L56-V360 HydrophobicContact CD1-CG1 4.1Å; M95-V360 HydrophobicContact CE-CG1 3.99Å; A357-V360 WeakPolarHBondContact O-CG2 3.26Å; A357-V360 PolarHBondContact O-N 2.94Å; E358-V360 VanDerWaalsContact C-N 3.29Å; E358-V360 PolarHBondContact O-N 2.91Å; V360-R364 WeakPolarHBondContact O-CB 3.37Å; V360-R364 PolarHBondContact O-N 2.67Å
361V98.8Very high97.5Very high2 Ų227.2 Ų27.21%0.01215%0.154CC..Hα-helixtrans-66.7-56.1175.8172.80000110.6Y44 F45 H48 E52 A357 R364 L365Y44-V361 HydrophobicContact CD1-CG1 4.1Å; Y44-V361 HydrophobicContact CE1-CG1 3.78Å; F45-V361 HydrophobicContact CD2-CB 4.24Å; F45-V361 HydrophobicContact CD2-CG1 4.28Å; F45-V361 HydrophobicContact CD2-CG2 4.27Å; F45-V361 HydrophobicContact CE2-CG2 4.47Å; H48-V361 HydrophobicContact CB-CG1 3.85Å; H48-V361 HydrophobicContact CB-CG2 4.11Å; E52-V361 HydrophobicContact CB-CG2 4.37Å; E52-V361 HydrophobicContact CG-CB 4.48Å; E52-V361 HydrophobicContact CG-CG2 3.79Å; A357-V361 WeakPolarHBondContact O-CB 3.34Å; A357-V361 WeakPolarHBondContact O-CG2 3.49Å; A357-V361 PolarHBondContact O-N 3.39Å; V361-R364 PolarHBondContact O-N 3.13Å; V361-L365 PolarHBondContact O-N 3.18Å; V361-L365 VanDerWaalsContact O-N 3.11Å
362F98.8Very high97.6Very high3 Ų332.8 Ų32.81%0.01318%0.179CC..Hα-helixtrans-79.9-25.8-177.7-65.2-66.3000112.3V41 Y44 F45 V337 V343 L345 E358 R364 L365 A366V41-F362 HydrophobicContact CG1-CE1 3.98Å; V41-F362 HydrophobicContact CG1-CE2 4.43Å; V41-F362 HydrophobicContact CG1-CZ 3.5Å; V41-F362 VanDerWaalsContact CG1-CZ 3.5Å; Y44-F362 HydrophobicContact CD1-CE1 4.18Å; F45-F362 HydrophobicContact CB-CE2 4.27Å; F45-F362 HydrophobicContact CB-CZ 4.08Å; F45-F362 AromaticContact CD2-CE2 3.8Å; F45-F362 HydrophobicContact CD2-CE2 3.8Å; F45-F362 HydrophobicContact CD2-CZ 4.42Å; F45-F362 HydrophobicContact CG-CE2 4.42Å; V337-F362 HydrophobicContact CG1-CB 4.3Å; V337-F362 WeakPolarHBondContact CG1-O 3.31Å; V343-F362 HydrophobicContact CG1-CD1 4.41Å; V343-F362 HydrophobicContact CG1-CD2 4.09Å; V343-F362 HydrophobicContact CG1-CE1 4.23Å; V343-F362 HydrophobicContact CG1-CE2 3.88Å; V343-F362 HydrophobicContact CG1-CG 4.35Å; V343-F362 HydrophobicContact CG1-CZ 3.96Å; V343-F362 HydrophobicContact CG2-CD1 4.24Å; V343-F362 HydrophobicContact CG2-CE1 4.02Å; V343-F362 HydrophobicContact CG2-CZ 4.46Å; L345-F362 HydrophobicContact CB-CE2 4.47Å; L345-F362 HydrophobicContact CD2-CE2 4.15Å; E358-F362 HydrophobicContact CB-CD2 4.42Å; E358-F362 HydrophobicContact CG-CD2 3.75Å; E358-F362 HydrophobicContact CG-CE2 4.32Å; E358-F362 WeakPolarHBondContact O-CB 3.39Å; E358-F362 PolarHBondContact O-N 2.85Å; F362-R364 VanDerWaalsContact C-N 3.35Å; F362-L365 HydrophobicContact CD1-CD2 4.1Å; F362-L365 HydrophobicContact CE1-CD2 4.46Å; F362-L365 PolarHBondContact O-N 3.31Å; F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.07Å; F362-A366 PolarHBondContact O-N 3.04Å
363G98.3Very high97.8Very high30 Ų3036.3 Ų36.331%0.30919%0.192SC..Hα-helixtrans-62.1-41.316900000112.4L359 G367L359-G363 WeakPolarHBondContact O-CA 3.16Å; L359-G363 PolarHBondContact O-N 2.84Å; G363-G367 PolarHBondContact O-N 3.33Å; G363-G367 VanDerWaalsContact O-N 3.13Å
364R98.3Very high97.9Very high134 Ų13438 Ų3851%0.50621%0.206SC..Hα-helixtrans-61.8-53.2172.2175.264.2-172.5-168.93.2110.9V360 V361 F362 A366 G367 E368V360-R364 WeakPolarHBondContact O-CB 3.37Å; V360-R364 PolarHBondContact O-N 2.67Å; V361-R364 PolarHBondContact O-N 3.13Å; F362-R364 VanDerWaalsContact C-N 3.35Å; R364-A366 PolarHBondContact O-N 3.09Å; R364-G367 PolarHBondContact O-N 3.19Å; R364-E368 IonicContact CZ-OE1 4Å; R364-E368 IonicContact NE-OE1 3.16Å; R364-E368 PolarHBondContact NE-OE1 3.19Å; R364-E368 IonicContact NH2-OE1 3.46Å; R364-E368 PolarHBondContact NH2-OE1 3.43Å; R364-E368 PolarHBondContact O-N 3.09Å; R364-E368 VanDerWaalsContact O-N 3.09Å
365L98.8Very high97.9Very high11 Ų1142.1 Ų42.16%0.05824%0.241CC..Hα-helixtrans-57.4-51.2-178.5179.459.1000111.8Y44 Q325 V361 F362 G367 E368 Q369Y44-L365 HydrophobicContact CE1-CD2 4Å; Q325-L365 WeakPolarHBondContact O-CD2 3.37Å; V361-L365 PolarHBondContact O-N 3.18Å; V361-L365 VanDerWaalsContact O-N 3.11Å; F362-L365 HydrophobicContact CD1-CD2 4.1Å; F362-L365 HydrophobicContact CE1-CD2 4.46Å; F362-L365 PolarHBondContact O-N 3.31Å; L365-G367 VanDerWaalsContact C-N 3.28Å; L365-G367 PolarHBondContact O-N 3.31Å; L365-E368 PolarHBondContact O-N 3.35Å; L365-Q369 HydrophobicContact CD1-CG 4.04Å; L365-Q369 HydrophobicContact CG-CG 4.38Å; L365-Q369 VanDerWaalsContact O-CG 3.28Å; L365-Q369 WeakPolarHBondContact O-CG 3.22Å; L365-Q369 PolarHBondContact O-N 3.49Å
366A98.8Very high97.8Very high0 Ų045.6 Ų45.60%026%0.261CS..Hα-helixtrans-61.6-35.4179.200000112.5V149 C327 F335 V337 F362 R364 Q369 A370V149-A366 HydrophobicContact CG1-CB 4.18Å; C327-A366 HydrophobicContact CB-CB 3.87Å; F335-A366 HydrophobicContact CB-CB 4.36Å; V337-A366 HydrophobicContact CG1-CB 3.37Å; F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.07Å; F362-A366 PolarHBondContact O-N 3.04Å; R364-A366 PolarHBondContact O-N 3.09Å; A366-Q369 PolarHBondContact O-N 2.78Å; A366-A370 WeakPolarHBondContact O-CB 3.33Å; A366-A370 PolarHBondContact O-N 3.09Å
367G98.4Very high97.5Very high33 Ų3346.5 Ų46.534%0.3427%0.269SS..Hα-helixtrans-64.1-41.9175.300000113G363 R364 L365 T371G363-G367 PolarHBondContact O-N 3.33Å; G363-G367 VanDerWaalsContact O-N 3.13Å; R364-G367 PolarHBondContact O-N 3.19Å; L365-G367 VanDerWaalsContact C-N 3.28Å; L365-G367 PolarHBondContact O-N 3.31Å; G367-T371 WeakPolarHBondContact O-CB 3.46Å; G367-T371 PolarHBondContact O-N 3.5Å; G367-T371 VanDerWaalsContact O-N 3.09Å; G367-T371 PolarHBondContact O-OG1 2.82Å
368E98.5Very high97.2Very high81 Ų8148.8 Ų48.838%0.37929%0.293SS..Hα-helixtrans-64.6-48.2175.2-68.6177.8162.100111.2R364 L365 A370 T371 E372R364-E368 IonicContact CZ-OE1 4Å; R364-E368 IonicContact NE-OE1 3.16Å; R364-E368 PolarHBondContact NE-OE1 3.19Å; R364-E368 IonicContact NH2-OE1 3.46Å; R364-E368 PolarHBondContact NH2-OE1 3.43Å; R364-E368 PolarHBondContact O-N 3.09Å; R364-E368 VanDerWaalsContact O-N 3.09Å; L365-E368 PolarHBondContact O-N 3.35Å; E368-A370 PolarHBondContact O-N 3Å; E368-T371 WeakPolarHBondContact O-CB 3.43Å; E368-T371 PolarHBondContact O-N 2.89Å; E368-E372 PolarHBondContact O-N 2.9Å; E368-E372 VanDerWaalsContact O-N 3.09Å
369Q98.7Very high96.8Very high53 Ų5356.5 Ų56.525%0.24833%0.334CS..Hα-helixtrans-65.4-40.1-179.9-63.7-63.6-43.900112.4N326 F335 L365 A366 T371 E372 R373N326-Q369 HydrophobicContact CB-CG 4.14Å; F335-Q369 HydrophobicContact CD1-CB 4.23Å; F335-Q369 HydrophobicContact CE1-CB 3.42Å; F335-Q369 VanDerWaalsContact CE1-CB 3.42Å; F335-Q369 HydrophobicContact CZ-CB 3.86Å; L365-Q369 HydrophobicContact CD1-CG 4.04Å; L365-Q369 HydrophobicContact CG-CG 4.38Å; L365-Q369 VanDerWaalsContact O-CG 3.28Å; L365-Q369 WeakPolarHBondContact O-CG 3.22Å; L365-Q369 PolarHBondContact O-N 3.49Å; A366-Q369 PolarHBondContact O-N 2.78Å; Q369-T371 VanDerWaalsContact C-N 3.29Å; Q369-T371 PolarHBondContact O-N 3.04Å; Q369-E372 PolarHBondContact O-N 2.83Å; Q369-R373 WeakPolarHBondContact O-CB 2.98Å; Q369-R373 PolarHBondContact O-N 3.46Å
370A98.6Very high96.5Very high11 Ų1154.9 Ų54.99%0.09133%0.331CS..Hα-helixtrans-64.1-35.5174.800000112A147 V149 F335 A366 E368 A374A147-A370 HydrophobicContact CB-CB 3.9Å; A147-A370 WeakPolarHBondContact CB-O 3.35Å; V149-A370 HydrophobicContact CG2-CB 3.83Å; F335-A370 HydrophobicContact CD2-CB 3.86Å; F335-A370 VanDerWaalsContact CE2-CA 3.48Å; F335-A370 HydrophobicContact CE2-CB 3.77Å; F335-A370 HydrophobicContact CZ-CB 4.42Å; A366-A370 WeakPolarHBondContact O-CB 3.33Å; A366-A370 PolarHBondContact O-N 3.09Å; E368-A370 PolarHBondContact O-N 3Å; A370-A374 WeakPolarHBondContact O-CB 3.22Å; A370-A374 PolarHBondContact O-N 3.43Å
371T98Very high96.4Very high100 Ų10058.4 Ų58.461%0.61335%0.349SS*.Hα-helixtrans-65.1-46.9175.6-59.50000111.1G367 E368 Q369 A374 A375G367-T371 WeakPolarHBondContact O-CB 3.46Å; G367-T371 PolarHBondContact O-N 3.5Å; G367-T371 VanDerWaalsContact O-N 3.09Å; G367-T371 PolarHBondContact O-OG1 2.82Å; E368-T371 WeakPolarHBondContact O-CB 3.43Å; E368-T371 PolarHBondContact O-N 2.89Å; Q369-T371 VanDerWaalsContact C-N 3.29Å; Q369-T371 PolarHBondContact O-N 3.04Å; T371-A374 PolarHBondContact O-N 3.33Å; T371-A375 PolarHBondContact O-N 2.72Å; T371-A375 VanDerWaalsContact O-N 3.12Å
372E98Very high96.2Very high123 Ų12365.5 Ų65.558%0.57538%0.382SS*.Hα-helixtrans-62.2-44.6176.9-175.6174.9174.800111.7E368 Q369 A375 T376E368-E372 PolarHBondContact O-N 2.9Å; E368-E372 VanDerWaalsContact O-N 3.09Å; Q369-E372 PolarHBondContact O-N 2.83Å; E372-A375 PolarHBondContact O-N 3.46Å; E372-T376 PolarHBondContact O-N 2.99Å; E372-T376 PolarHBondContact O-OG1 2.85Å
373R97Very high96.1Very high76 Ų7668.7 Ų68.729%0.28741%0.409SS..Hα-helixtrans-63.3-43.3176.4-174.970.370.8-158-2.1111.9E328 F335 Q369 A375 T376 A377E328-R373 IonicContact OE1-CZ 2.68Å; E328-R373 IonicContact OE1-NE 3.83Å; E328-R373 PolarHBondContact OE1-NE 2.73Å; E328-R373 IonicContact OE1-NH2 3.43Å; E328-R373 PolarHBondContact OE1-NH2 2.97Å; E328-R373 IonicContact OE2-CZ 3.45Å; E328-R373 IonicContact OE2-NH2 3.37Å; E328-R373 PolarHBondContact OE2-NH2 2.96Å; F335-R373 HydrophobicContact CE2-CB 4.22Å; F335-R373 HydrophobicContact CZ-CB 4.15Å; Q369-R373 WeakPolarHBondContact O-CB 2.98Å; Q369-R373 PolarHBondContact O-N 3.46Å; R373-A375 VanDerWaalsContact C-N 3.27Å; R373-A375 PolarHBondContact O-N 3.23Å; R373-T376 PolarHBondContact O-N 3.41Å; R373-T376 PolarHBondContact O-OG1 2.71Å; R373-A377 WeakPolarHBondContact O-CB 3.5Å; R373-A377 PolarHBondContact O-N 2.97Å
374A96.5Very high96Very high38 Ų3868.6 Ų68.631%0.31441%0.405SS..Hα-helixtrans-63-34.7-179.400000112.7N146 A147 A370 T371N146-A374 HydrophobicContact CB-CB 4.07Å; N146-A374 PolarHBondContact ND2-O 3.02Å; A147-A374 HydrophobicContact CB-CB 4.18Å; A370-A374 WeakPolarHBondContact O-CB 3.22Å; A370-A374 PolarHBondContact O-N 3.43Å; T371-A374 PolarHBondContact O-N 3.33Å
375A96.4Very high95.9Very high88 Ų8862.4 Ų62.473%0.72738%0.382SS*.Hα-helixtrans-74.3-24.2177.700000113.7T371 E372 R373T371-A375 PolarHBondContact O-N 2.72Å; T371-A375 VanDerWaalsContact O-N 3.12Å; E372-A375 PolarHBondContact O-N 3.46Å; R373-A375 VanDerWaalsContact C-N 3.27Å; R373-A375 PolarHBondContact O-N 3.23Å
376T94.7Very high95.9Very high96 Ų9666.4 Ų66.459%0.58940%0.401SS*.Hα-helixtrans-109-5.6-175.455.50000113.6E372 R373 G378E372-T376 PolarHBondContact O-N 2.99Å; E372-T376 PolarHBondContact O-OG1 2.85Å; R373-T376 PolarHBondContact O-N 3.41Å; R373-T376 PolarHBondContact O-OG1 2.71Å; T376-G378 PolarHBondContact O-N 3.34Å
377A91Very high95.9Very high23 Ų2369.5 Ų69.519%0.1943%0.426CS..PPolyproline II helixtrans-62.2124.3178.300000111N146 R373N146-A377 HydrophobicContact CB-CB 3.56Å; R373-A377 WeakPolarHBondContact O-CB 3.5Å; R373-A377 PolarHBondContact O-N 2.97Å
378G90.1Very high95.8Very high48 Ų4870.7 Ų70.750%0.49542%0.423SS..PPolyproline II helixtrans-67.2171.216700000112.1R128 T376R128-G378 PolarHBondContact NH1-O 3.38Å; T376-G378 PolarHBondContact O-N 3.34Å
379N90.2Very high95.8Very high166 Ų16667.5 Ų67.589%0.88841%0.411SS*.PPolyproline II helixtrans-66.7138.6177.5-63.1-29000111
380G90.6Very high95.8Very high22 Ų2267.7 Ų67.723%0.22742%0.421CS..PPolyproline II helixtrans-84.5163.1167.700000112.2D123 E382D123-G380 WeakPolarHBondContact OD2-CA 3.48Å; G380-E382 PolarHBondContact O-N 3.26Å
381N95.4Very high95.8Very high88 Ų8868.6 Ų68.647%0.47143%0.432SS..  trans-74.4102.4171.9-177.9-21.3000110.1D123 A383 A384 I385D123-N381 PolarHBondContact OD2-N 2.85Å; N381-A383 VanDerWaalsContact C-N 3.28Å; N381-A383 PolarHBondContact O-N 3.08Å; N381-A383 PolarHBondContact OD1-N 3.17Å; N381-A384 HydrophobicContact CB-CB 3.88Å; N381-A384 PolarHBondContact O-N 2.76Å; N381-A384 VanDerWaalsContact O-N 3.1Å; N381-A384 PolarHBondContact OD1-N 3.06Å; N381-I385 WeakPolarHBondContact O-CD1 3.34Å; N381-I385 VanDerWaalsContact O-CG1 3.3Å; N381-I385 WeakPolarHBondContact O-CG1 3.39Å; N381-I385 PolarHBondContact O-N 3.07Å
382E95.1Very high95.8Very high151 Ų15164.2 Ų64.271%0.70641%0.405SS*.Hα-helixtrans-53.7-43.9-177.1-68.4-174.7169.400112.8G380 A384 I385 E386G380-E382 PolarHBondContact O-N 3.26Å; E382-A384 PolarHBondContact O-N 3.01Å; E382-I385 PolarHBondContact O-N 3.49Å; E382-E386 WeakPolarHBondContact O-CG 3.47Å; E382-E386 PolarHBondContact O-N 3.24Å
383A96.6Very high95.8Very high70 Ų7062.1 Ų62.158%0.57940%0.395SS*.Hα-helixtrans-65.1-39.2-179.500000112.2N381 I385 A387N381-A383 VanDerWaalsContact C-N 3.28Å; N381-A383 PolarHBondContact O-N 3.08Å; N381-A383 PolarHBondContact OD1-N 3.17Å; A383-I385 VanDerWaalsContact C-N 3.35Å; A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 2.91Å
384A96.5Very high95.8Very high28 Ų2863 Ų6323%0.23140%0.403CS..Hα-helixtrans-65.5-40176.400000111.5N381 E382 A387 Q388N381-A384 HydrophobicContact CB-CB 3.88Å; N381-A384 PolarHBondContact O-N 2.76Å; N381-A384 VanDerWaalsContact O-N 3.1Å; N381-A384 PolarHBondContact OD1-N 3.06Å; E382-A384 PolarHBondContact O-N 3.01Å; A384-A387 PolarHBondContact O-N 3.41Å; A384-Q388 WeakPolarHBondContact O-CG 3.35Å; A384-Q388 PolarHBondContact O-N 3.3Å
385I97Very high95.8Very high5 Ų567.3 Ų67.33%0.02641%0.411CS..Hα-helixtrans-73.2-38.3-178.7-56156.4000111.4L121 D123 R128 N381 E382 A383 Q388 A389L121-I385 HydrophobicContact CB-CG2 4.03Å; L121-I385 HydrophobicContact CD1-CG2 3.66Å; L121-I385 HydrophobicContact CG-CG2 4.31Å; D123-I385 HydrophobicContact CB-CG1 4.17Å; R128-I385 HydrophobicContact CB-CD1 3.69Å; R128-I385 HydrophobicContact CB-CG1 3.99Å; R128-I385 HydrophobicContact CB-CG2 4.47Å; R128-I385 HydrophobicContact CG-CD1 3.75Å; R128-I385 HydrophobicContact CG-CG1 4.14Å; N381-I385 WeakPolarHBondContact O-CD1 3.34Å; N381-I385 VanDerWaalsContact O-CG1 3.3Å; N381-I385 WeakPolarHBondContact O-CG1 3.39Å; N381-I385 PolarHBondContact O-N 3.07Å; E382-I385 PolarHBondContact O-N 3.49Å; A383-I385 VanDerWaalsContact C-N 3.35Å; I385-Q388 PolarHBondContact O-N 3.23Å; I385-A389 PolarHBondContact O-N 3.37Å
386E97.7Very high95.8Very high95 Ų9564.4 Ų64.444%0.44438%0.383SS..Hα-helixtrans-63.3-41.7172.4-72.5-57.5150.200111.7Q142 R144 E382 Q388 A389 A390Q142-E386 PolarHBondContact OE1-OE1 3.4Å; R144-E386 IonicContact CZ-OE1 4Å; R144-E386 VanDerWaalsContact NH2-CD 3.28Å; R144-E386 IonicContact NH2-OE1 2.72Å; R144-E386 PolarHBondContact NH2-OE1 3.17Å; E382-E386 WeakPolarHBondContact O-CG 3.47Å; E382-E386 PolarHBondContact O-N 3.24Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.02Å; E386-A389 PolarHBondContact O-N 3.17Å; E386-A390 PolarHBondContact O-N 2.88Å
387A98Very high95.9Very high65 Ų6564.2 Ų64.254%0.53737%0.374SS..Hα-helixtrans-61.7-39.617600000112.2A383 A384 G391A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 2.91Å; A384-A387 PolarHBondContact O-N 3.41Å; A387-G391 PolarHBondContact O-N 3.02Å
388Q98Very high96.2Very high57 Ų5767.2 Ų67.227%0.26639%0.387SS..Hα-helixtrans-64.7-44.7174.3-74.7175.454.400112.1L121 V122 A384 I385 E386 A390 G391 V392L121-Q388 HydrophobicContact CD2-CB 3.64Å; V122-Q388 PolarHBondContact O-NE2 3.3Å; V122-Q388 PolarHBondContact O-OE1 2.9Å; A384-Q388 WeakPolarHBondContact O-CG 3.35Å; A384-Q388 PolarHBondContact O-N 3.3Å; I385-Q388 PolarHBondContact O-N 3.23Å; E386-Q388 VanDerWaalsContact C-N 3.32Å; E386-Q388 PolarHBondContact O-N 3.02Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.46Å; Q388-G391 CarbonylContact O-C 3.56Å; Q388-G391 WeakPolarHBondContact O-CA 3.43Å; Q388-G391 PolarHBondContact O-N 3.11Å; Q388-V392 WeakPolarHBondContact O-CG2 3.4Å; Q388-V392 PolarHBondContact O-N 3.19Å
389A98.1Very high96.4Very high15 Ų1566.2 Ų66.212%0.12437%0.37CS..Hα-helixtrans-60.7-43.3177.900000112L121 V131 I385 E386 G391 V392 E393L121-A389 HydrophobicContact CD2-CB 4.4Å; V131-A389 HydrophobicContact CG2-CB 3.95Å; I385-A389 PolarHBondContact O-N 3.37Å; E386-A389 PolarHBondContact O-N 3.17Å; A389-G391 VanDerWaalsContact C-N 3.28Å; A389-G391 PolarHBondContact O-N 3.41Å; A389-V392 WeakPolarHBondContact O-CB 3.31Å; A389-V392 PolarHBondContact O-N 3.43Å; A389-E393 PolarHBondContact O-N 3.3Å; A389-E393 VanDerWaalsContact O-N 3.09Å
390A98.3Very high96.7Very high56 Ų5661 Ų6146%0.46334%0.344SS..Hα-helixtrans-61.7-36.1172.400000112.4E386 Q388 E393 Q394E386-A390 PolarHBondContact O-N 2.88Å; Q388-A390 VanDerWaalsContact C-N 3.34Å; Q388-A390 PolarHBondContact O-N 3.46Å; A390-E393 PolarHBondContact O-N 3.38Å; A390-Q394 PolarHBondContact O-N 3.28Å
391G98.3Very high96.9Very high31 Ų3166 Ų6632%0.3237%0.366SS..Hα-helixtrans-64.8-37173.500000113.6A387 Q388 A389 Q394 R395A387-G391 PolarHBondContact O-N 3.02Å; Q388-G391 CarbonylContact O-C 3.56Å; Q388-G391 WeakPolarHBondContact O-CA 3.43Å; Q388-G391 PolarHBondContact O-N 3.11Å; A389-G391 VanDerWaalsContact C-N 3.28Å; A389-G391 PolarHBondContact O-N 3.41Å; G391-Q394 PolarHBondContact O-N 3.3Å; G391-R395 WeakPolarHBondContact O-CG 3.43Å; G391-R395 PolarHBondContact O-N 3.12Å
392V98.1Very high96.9Very high7 Ų764.4 Ų64.44%0.04236%0.355CS..Hα-helixtrans-63.4-47.5172.3-179.70000110.4L118 D119 V131 Q388 A389 Q394 R395 L396L118-V392 HydrophobicContact CB-CG1 3.73Å; L118-V392 HydrophobicContact CD1-CG1 4.05Å; D119-V392 HydrophobicContact CB-CG1 4.39Å; D119-V392 HydrophobicContact CB-CG2 3.78Å; V131-V392 HydrophobicContact CB-CB 4.32Å; V131-V392 HydrophobicContact CB-CG1 4Å; V131-V392 HydrophobicContact CB-CG2 4.35Å; V131-V392 HydrophobicContact CG1-CB 4.34Å; V131-V392 HydrophobicContact CG1-CG1 3.88Å; V131-V392 HydrophobicContact CG2-CB 4.3Å; V131-V392 HydrophobicContact CG2-CG2 4.13Å; Q388-V392 WeakPolarHBondContact O-CG2 3.4Å; Q388-V392 PolarHBondContact O-N 3.19Å; A389-V392 WeakPolarHBondContact O-CB 3.31Å; A389-V392 PolarHBondContact O-N 3.43Å; V392-Q394 VanDerWaalsContact C-N 3.31Å; V392-Q394 PolarHBondContact O-N 3Å; V392-R395 PolarHBondContact O-N 3.22Å; V392-L396 PolarHBondContact O-N 3.48Å
393E97.7Very high96.6Very high80 Ų8063.8 Ų63.837%0.37436%0.357SS..Hα-helixtrans-59.4-42.3177.3-178.1-179.2176.300111.7L140 A389 A390 L396 K397L140-E393 HydrophobicContact CD1-CB 3.63Å; L140-E393 HydrophobicContact CD1-CG 3.65Å; A389-E393 PolarHBondContact O-N 3.3Å; A389-E393 VanDerWaalsContact O-N 3.09Å; A390-E393 PolarHBondContact O-N 3.38Å; E393-L396 PolarHBondContact O-N 2.74Å; E393-K397 HydrophobicContact CG-CD 4.35Å; E393-K397 WeakPolarHBondContact O-CG 3.32Å; E393-K397 PolarHBondContact O-N 3.44Å; E393-K397 WeakPolarHBondContact OE1-CE 3.37Å; E393-K397 IonicContact OE1-NZ 3.75Å; E393-K397 PolarHBondContact OE1-NZ 3.35Å
394Q98.3Very high96.5Very high95 Ų9561.4 Ų61.444%0.44434%0.339SS..Hα-helixtrans-64.5-45.8178.3-171.458.750.200111.7A390 G391 V392 L396 K397 D398A390-Q394 PolarHBondContact O-N 3.28Å; G391-Q394 PolarHBondContact O-N 3.3Å; V392-Q394 VanDerWaalsContact C-N 3.31Å; V392-Q394 PolarHBondContact O-N 3Å; Q394-L396 VanDerWaalsContact C-N 3.27Å; Q394-L396 PolarHBondContact O-N 2.96Å; Q394-K397 WeakPolarHBondContact O-CB 3.26Å; Q394-K397 PolarHBondContact O-N 2.83Å; Q394-K397 VanDerWaalsContact O-N 3.13Å; Q394-D398 PolarHBondContact NE2-OD1 3.05Å; Q394-D398 PolarHBondContact O-N 2.76Å
395R96.9Very high96.5Very high127 Ų12763.8 Ų63.848%0.47937%0.366SS..Hα-helixtrans-59.1-38.7175.8-75.1-175.1-61.8164.52.7112.3D119 G391 V392 D398 L399D119-R395 IonicContact OD2-CZ 2.65Å; D119-R395 IonicContact OD2-NH1 2.67Å; D119-R395 PolarHBondContact OD2-NH1 3.26Å; D119-R395 IonicContact OD2-NH2 2.65Å; D119-R395 PolarHBondContact OD2-NH2 3.17Å; G391-R395 WeakPolarHBondContact O-CG 3.43Å; G391-R395 PolarHBondContact O-N 3.12Å; V392-R395 PolarHBondContact O-N 3.22Å; R395-D398 PolarHBondContact O-N 3.02Å; R395-L399 WeakPolarHBondContact O-CB 3.19Å; R395-L399 PolarHBondContact O-N 3.21Å
396L96.3Very high96.6Very high28 Ų2865.5 Ų65.515%0.14737%0.374CS..Hα-helixtrans-63.3-46.2175.6-17567.1000111.3L118 M133 L140 V392 E393 Q394 D398 L399 V400 L462 I466L118-L396 HydrophobicContact CD1-CD2 3.98Å; L118-L396 HydrophobicContact CD2-CD1 4.35Å; M133-L396 HydrophobicContact SD-CD2 4.35Å; L140-L396 HydrophobicContact CD1-CD2 4.39Å; L140-L396 HydrophobicContact CD2-CD2 3.81Å; V392-L396 PolarHBondContact O-N 3.48Å; E393-L396 PolarHBondContact O-N 2.74Å; Q394-L396 VanDerWaalsContact C-N 3.27Å; Q394-L396 PolarHBondContact O-N 2.96Å; L396-D398 VanDerWaalsContact C-N 3.33Å; L396-D398 PolarHBondContact O-N 3.23Å; L396-L399 PolarHBondContact O-N 2.65Å; L396-V400 WeakPolarHBondContact O-CG2 3.41Å; L396-V400 PolarHBondContact O-N 3.2Å; L396-L462 HydrophobicContact CD1-CD1 3.86Å; L396-L462 HydrophobicContact CD1-CD2 4.13Å; L396-L462 HydrophobicContact CD1-CG 4.43Å; L396-I466 HydrophobicContact CD1-CD1 3.94Å
397K95.7Very high96.5Very high91 Ų9165 Ų6540%0.39638%0.375SS..Hα-helixtrans-61.1-42175.7-73.6172.6-176.3167.30111.8E393 Q394 L399 V400 N401E393-K397 HydrophobicContact CG-CD 4.35Å; E393-K397 WeakPolarHBondContact O-CG 3.32Å; E393-K397 PolarHBondContact O-N 3.44Å; E393-K397 WeakPolarHBondContact OE1-CE 3.37Å; E393-K397 IonicContact OE1-NZ 3.75Å; E393-K397 PolarHBondContact OE1-NZ 3.35Å; Q394-K397 WeakPolarHBondContact O-CB 3.26Å; Q394-K397 PolarHBondContact O-N 2.83Å; Q394-K397 VanDerWaalsContact O-N 3.13Å; K397-L399 VanDerWaalsContact C-N 3.34Å; K397-V400 PolarHBondContact O-N 2.87Å; K397-N401 WeakPolarHBondContact O-CB 3.4Å; K397-N401 PolarHBondContact O-N 3.05Å; K397-N401 PolarHBondContact O-ND2 3.13Å
398D96.7Very high96.5Very high87 Ų8763.4 Ų63.447%0.46536%0.355SS..Hα-helixtrans-63.3-42.7178.9-65.5-19.4000110.7Q394 R395 L396 N401 Q402Q394-D398 PolarHBondContact NE2-OD1 3.05Å; Q394-D398 PolarHBondContact O-N 2.76Å; R395-D398 PolarHBondContact O-N 3.02Å; L396-D398 VanDerWaalsContact C-N 3.33Å; L396-D398 PolarHBondContact O-N 3.23Å; D398-N401 CarbonylContact O-C 3.58Å; D398-N401 PolarHBondContact O-N 2.95Å; D398-Q402 PolarHBondContact O-N 3.18Å
399L96.2Very high96.5Very high27 Ų2761.9 Ų61.914%0.14135%0.352CS..Hα-helixtrans-64.5-45.4176.8-177.162.9000112.2R395 L396 K397 N401 Q402 V449 I451 L462 T465 I466R395-L399 WeakPolarHBondContact O-CB 3.19Å; R395-L399 PolarHBondContact O-N 3.21Å; L396-L399 PolarHBondContact O-N 2.65Å; K397-L399 VanDerWaalsContact C-N 3.34Å; L399-N401 VanDerWaalsContact C-N 3.26Å; L399-N401 PolarHBondContact O-N 3.29Å; L399-Q402 VanDerWaalsContact O-CB 3.32Å; L399-Q402 WeakPolarHBondContact O-CB 3.35Å; L399-Q402 PolarHBondContact O-N 3.39Å; L399-V449 HydrophobicContact CD1-CG1 4.22Å; L399-I451 HydrophobicContact CD2-CD1 4.38Å; L399-I451 HydrophobicContact CG-CD1 3.89Å; L399-L462 HydrophobicContact CD2-CD1 4.07Å; L399-T465 HydrophobicContact CD1-CG2 4Å; L399-T465 HydrophobicContact CD2-CG2 4.25Å; L399-T465 HydrophobicContact CG-CG2 4.45Å; L399-I466 HydrophobicContact CD2-CG1 3.67Å
400V95Very high96.5Very high57 Ų5766.9 Ų66.935%0.34537%0.37SS..Hα-helixtrans-61-37177169.60000111.6L396 K397 L462L396-V400 WeakPolarHBondContact O-CG2 3.41Å; L396-V400 PolarHBondContact O-N 3.2Å; K397-V400 PolarHBondContact O-N 2.87Å; V400-L462 HydrophobicContact CG2-CD1 3.89Å; V400-L462 HydrophobicContact CG2-CD2 4.05Å
401N94.7Very high96.5Very high127 Ų12764.2 Ų64.268%0.67935%0.348SS*.THydrogen-bonded Turntrans-93.47.2-179.5-64.5-60.2000113.5K397 D398 L399 D403K397-N401 WeakPolarHBondContact O-CB 3.4Å; K397-N401 PolarHBondContact O-N 3.05Å; K397-N401 PolarHBondContact O-ND2 3.13Å; D398-N401 CarbonylContact O-C 3.58Å; D398-N401 PolarHBondContact O-N 2.95Å; L399-N401 VanDerWaalsContact C-N 3.26Å; L399-N401 PolarHBondContact O-N 3.29Å; N401-D403 PolarHBondContact O-N 3.24Å
402Q95.2Very high96.5Very high53 Ų5367.6 Ų67.625%0.24835%0.352CS..  trans-64.5119.8-176.6-169.7172.4-93.200110.2D398 L399 F446 K447 V449D398-Q402 PolarHBondContact O-N 3.18Å; L399-Q402 VanDerWaalsContact O-CB 3.32Å; L399-Q402 WeakPolarHBondContact O-CB 3.35Å; L399-Q402 PolarHBondContact O-N 3.39Å; Q402-F446 PolarHBondContact NE2-O 3.42Å; Q402-F446 VanDerWaalsContact NE2-O 3.15Å; Q402-K447 VanDerWaalsContact CD-O 3.27Å; Q402-K447 PolarHBondContact NE2-O 3.17Å; Q402-K447 PolarHBondContact OE1-O 3.08Å; Q402-V449 VanDerWaalsContact NE2-CG1 3.33Å; Q402-V449 VanDerWaalsContact NE2-N 3.12Å; Q402-V449 PolarHBondContact NE2-O 2.73Å
403D90.6Very high96.5Very high139 Ų13970.6 Ų70.674%0.74337%0.367SS*.  trans-79.1141.6174-168.123.4000110.4N401N401-D403 PolarHBondContact O-N 3.24Å
404G94.5Very high96.5Very high20 Ų2068.7 Ų68.721%0.20636%0.358CS..  trans167.5176.1-171.100000114.4R448 R450G404-R448 CarbonylContact C-O 3.52Å; G404-R448 VanDerWaalsContact CA-O 3.27Å; G404-R448 WeakPolarHBondContact CA-O 3.4Å; G404-R450 WeakPolarHBondContact O-CB 3.49Å; G404-R450 VanDerWaalsContact O-CD 3.23Å; G404-R450 WeakPolarHBondContact O-CD 3.09Å
405G95.7Very high96.5Very high78 Ų7864.4 Ų64.480%0.80434%0.338SS*.  trans-131.72.1179.900000113.7R448G405-R448 PolarHBondContact N-O 3.45Å
406E98Very high96.6Very high41 Ų4158.5 Ų58.519%0.19232%0.317CS..BIsolated β-bridgetrans-82.5146.5177.1-69.4-73.1171.200111I411 R445 R448 V449 R450E406-I411 HydrophobicContact CB-CD1 4.08Å; E406-R445 HydrophobicContact CG-CB 4.04Å; E406-R445 HydrophobicContact CG-CG 4.39Å; E406-R445 IonicContact OE1-CZ 3.37Å; E406-R445 IonicContact OE1-NE 3.46Å; E406-R445 PolarHBondContact OE1-NE 2.95Å; E406-R445 IonicContact OE1-NH2 3.81Å; E406-R445 IonicContact OE2-CZ 3.48Å; E406-R445 IonicContact OE2-NE 2.99Å; E406-R445 PolarHBondContact OE2-NE 3.17Å; E406-R445 IonicContact OE2-NH2 2.97Å; E406-R445 PolarHBondContact OE2-NH2 3.41Å; E406-R448 WeakPolarHBondContact CB-O 3.16Å; E406-R448 HydrophobicContact CG-CB 4.35Å; E406-R448 PolarHBondContact N-O 3.41Å; E406-R448 VanDerWaalsContact N-O 3.08Å; E406-V449 WeakPolarHBondContact O-CA 3.42Å; E406-R450 PolarHBondContact O-N 2.79Å; E406-R450 VanDerWaalsContact O-N 3.08Å
407N97.3Very high96.6Very high85 Ų8562.1 Ų62.146%0.45534%0.336SS..  trans-109.4125.9178.1-179.7-59.7000109A409 K410 I411N407-A409 VanDerWaalsContact C-N 3.26Å; N407-A409 PolarHBondContact O-N 2.92Å; N407-A409 WeakPolarHBondContact OD1-CA 3.43Å; N407-A409 VanDerWaalsContact OD1-CB 3.24Å; N407-A409 WeakPolarHBondContact OD1-CB 3.23Å; N407-A409 PolarHBondContact OD1-N 3.46Å; N407-K410 HydrophobicContact CB-CB 4.39Å; N407-K410 PolarHBondContact O-N 3.14Å; N407-K410 PolarHBondContact OD1-N 2.86Å; N407-I411 PolarHBondContact O-N 3.48Å
408W97Very high96.7Very high31 Ų3158.1 Ų58.112%0.11732%0.32CS..Hα-helixtrans-58.3-37.2-177.767.9-97.5000112.3K410 I411 R412 V449 D461 Y464 L468W408-K410 VanDerWaalsContact C-N 3.3Å; W408-K410 PolarHBondContact O-N 3.22Å; W408-I411 PolarHBondContact O-N 2.88Å; W408-R412 WeakPolarHBondContact O-CB 3.49Å; W408-R412 PolarHBondContact O-N 2.9Å; W408-V449 HydrophobicContact CB-CG2 3.89Å; W408-D461 PolarHBondContact NE1-OD1 3.35Å; W408-Y464 AromaticContact CH2-CD2 3.35Å; W408-Y464 HydrophobicContact CH2-CD2 3.35Å; W408-Y464 HydrophobicContact CH2-CE2 4.28Å; W408-Y464 AromaticContact CH2-CG 3.9Å; W408-Y464 HydrophobicContact CH2-CG 3.9Å; W408-Y464 AromaticContact CZ2-CD2 3.56Å; W408-Y464 HydrophobicContact CZ2-CD2 3.56Å; W408-Y464 HydrophobicContact CZ2-CG 4.21Å; W408-Y464 HydrophobicContact CZ3-CD2 4.11Å; W408-Y464 HydrophobicContact CZ3-CG 4.22Å; W408-L468 HydrophobicContact CB-CD2 3.71Å; W408-L468 WeakPolarHBondContact O-CD2 3.13Å
409A97.3Very high96.8Very high24 Ų2454 Ų5420%0.19830%0.298CS..Hα-helixtrans-66.2-37.1-177.600000111.1N407 R412 D413N407-A409 VanDerWaalsContact C-N 3.26Å; N407-A409 PolarHBondContact O-N 2.92Å; N407-A409 WeakPolarHBondContact OD1-CA 3.43Å; N407-A409 VanDerWaalsContact OD1-CB 3.24Å; N407-A409 WeakPolarHBondContact OD1-CB 3.23Å; N407-A409 PolarHBondContact OD1-N 3.46Å; A409-R412 PolarHBondContact O-N 3.01Å; A409-D413 WeakPolarHBondContact O-CB 3.43Å; A409-D413 PolarHBondContact O-N 3.37Å
410K98.2Very high96.7Very high120 Ų12054.7 Ų54.752%0.52230%0.301SS..Hα-helixtrans-66.1-45.5174.8-168.8-173.2176.1-167.90111.2N407 W408 R412 D413 E414N407-K410 HydrophobicContact CB-CB 4.39Å; N407-K410 PolarHBondContact O-N 3.14Å; N407-K410 PolarHBondContact OD1-N 2.86Å; W408-K410 VanDerWaalsContact C-N 3.3Å; W408-K410 PolarHBondContact O-N 3.22Å; K410-R412 VanDerWaalsContact C-N 3.35Å; K410-R412 PolarHBondContact O-N 3.26Å; K410-D413 PolarHBondContact O-N 3.18Å; K410-E414 WeakPolarHBondContact CE-OE1 3.29Å; K410-E414 WeakPolarHBondContact CG-OE1 3.1Å; K410-E414 WeakPolarHBondContact O-CB 3.42Å; K410-E414 WeakPolarHBondContact O-CG 3.32Å; K410-E414 PolarHBondContact O-N 3.47Å
411I98.7Very high96.8Very high0 Ų056.1 Ų56.10%030%0.304CS..Hα-helixtrans-60.2-46.1176.4-65.5173.2000110.4E406 N407 W408 D413 E414 M415 L442 R445 F446 L468 L472E406-I411 HydrophobicContact CB-CD1 4.08Å; N407-I411 PolarHBondContact O-N 3.48Å; W408-I411 PolarHBondContact O-N 2.88Å; I411-D413 PolarHBondContact O-N 2.84Å; I411-E414 PolarHBondContact O-N 2.97Å; I411-M415 WeakPolarHBondContact O-CB 3.25Å; I411-M415 PolarHBondContact O-N 3.18Å; I411-L442 HydrophobicContact CG2-CB 4.11Å; I411-L442 HydrophobicContact CG2-CD2 4.13Å; I411-L442 HydrophobicContact CG2-CG 4.5Å; I411-R445 HydrophobicContact CD1-CB 4.07Å; I411-R445 HydrophobicContact CG1-CB 4.49Å; I411-F446 HydrophobicContact CD1-CB 4.48Å; I411-L468 HydrophobicContact CB-CD2 3.88Å; I411-L468 HydrophobicContact CG2-CD1 4.16Å; I411-L468 HydrophobicContact CG2-CD2 3.78Å; I411-L468 HydrophobicContact CG2-CG 4.37Å; I411-L472 HydrophobicContact CG2-CD1 4.22Å; I411-L472 HydrophobicContact CG2-CD2 4.4Å
412R98.1Very high96.9Very high102 Ų10250.1 Ų50.139%0.38527%0.271SS..Hα-helixtrans-59.1-45.9177-174.6-161.464.7-167.4-7.5112W408 A409 K410 E414 M415 G416 L468W408-R412 WeakPolarHBondContact O-CB 3.49Å; W408-R412 PolarHBondContact O-N 2.9Å; A409-R412 PolarHBondContact O-N 3.01Å; K410-R412 VanDerWaalsContact C-N 3.35Å; K410-R412 PolarHBondContact O-N 3.26Å; R412-E414 VanDerWaalsContact C-N 3.35Å; R412-M415 HydrophobicContact CG-CE 4.38Å; R412-M415 PolarHBondContact O-N 3.44Å; R412-G416 PolarHBondContact O-N 3.1Å; R412-L468 HydrophobicContact CB-CD1 3.98Å; R412-L468 HydrophobicContact CG-CD1 4.47Å
413D97.9Very high97Very high70 Ų7047.6 Ų47.637%0.37426%0.26SS..Hα-helixtrans-66.1-39.4-179.4-71.71.1000111.1A409 K410 I411 G416 L417A409-D413 WeakPolarHBondContact O-CB 3.43Å; A409-D413 PolarHBondContact O-N 3.37Å; K410-D413 PolarHBondContact O-N 3.18Å; I411-D413 PolarHBondContact O-N 2.84Å; D413-G416 PolarHBondContact O-N 3.08Å; D413-L417 WeakPolarHBondContact O-CG 3.33Å; D413-L417 PolarHBondContact O-N 3.1Å; D413-L417 VanDerWaalsContact O-N 3.11Å
414E98.7Very high97.2Very high40 Ų4041.3 Ų41.319%0.18723%0.227CC..Hα-helixtrans-65.7-40.8174-70.4-179.4-126.400112.4K410 I411 R412 L417 A418 K438 L442 R445K410-E414 WeakPolarHBondContact CE-OE1 3.29Å; K410-E414 WeakPolarHBondContact CG-OE1 3.1Å; K410-E414 WeakPolarHBondContact O-CB 3.42Å; K410-E414 WeakPolarHBondContact O-CG 3.32Å; K410-E414 PolarHBondContact O-N 3.47Å; I411-E414 PolarHBondContact O-N 2.97Å; R412-E414 VanDerWaalsContact C-N 3.35Å; E414-L417 PolarHBondContact O-N 3.43Å; E414-A418 WeakPolarHBondContact O-CB 3.44Å; E414-A418 PolarHBondContact O-N 3.45Å; E414-K438 WeakPolarHBondContact OE2-CE 3.24Å; E414-K438 IonicContact OE2-NZ 2.8Å; E414-K438 PolarHBondContact OE2-NZ 3.37Å; E414-L442 HydrophobicContact CB-CD1 4.11Å; E414-L442 HydrophobicContact CB-CD2 3.95Å; E414-R445 VanDerWaalsContact CD-NH1 3.3Å; E414-R445 IonicContact OE1-CZ 3.79Å; E414-R445 IonicContact OE1-NH1 3.99Å; E414-R445 PolarHBondContact OE1-NH1 3.27Å; E414-R445 VanDerWaalsContact OE1-NH1 3.11Å; E414-R445 IonicContact OE1-NH2 3.84Å; E414-R445 PolarHBondContact OE1-NH2 2.97Å; E414-R445 IonicContact OE2-CZ 3.02Å; E414-R445 IonicContact OE2-NH1 3.14Å; E414-R445 PolarHBondContact OE2-NH1 2.94Å
415M98.7Very high97.3Very high5 Ų541.5 Ų41.53%0.02522%0.223CC..Hα-helixtrans-59.6-49.3172.7175.9-178.365.800110.7V158 I411 R412 L417 A418 M419 L439 L442 L468 L472 A475V158-M415 HydrophobicContact CB-CE 4.39Å; V158-M415 HydrophobicContact CG1-CE 4.33Å; V158-M415 HydrophobicContact CG1-SD 4.44Å; I411-M415 WeakPolarHBondContact O-CB 3.25Å; I411-M415 PolarHBondContact O-N 3.18Å; R412-M415 HydrophobicContact CG-CE 4.38Å; R412-M415 PolarHBondContact O-N 3.44Å; M415-L417 VanDerWaalsContact C-N 3.27Å; M415-L417 PolarHBondContact O-N 3.27Å; M415-A418 PolarHBondContact O-N 3.47Å; M415-A418 VanDerWaalsContact O-N 3.15Å; M415-M419 HydrophobicContact CG-CG 4.37Å; M415-M419 WeakPolarHBondContact O-CG 3.34Å; M415-M419 PolarHBondContact O-N 2.9Å; M415-L439 HydrophobicContact CG-CD2 3.87Å; M415-L442 HydrophobicContact CB-CD1 3.86Å; M415-L468 HydrophobicContact CE-CD1 3.9Å; M415-L468 HydrophobicContact SD-CD1 4.43Å; M415-L472 HydrophobicContact CB-CD2 4.46Å; M415-L472 HydrophobicContact CG-CD2 4.37Å; M415-L472 HydrophobicContact SD-CD2 3.8Å; M415-L472 HydrophobicContact SD-CG 4.14Å; M415-A475 HydrophobicContact CG-CB 4.32Å; M415-A475 HydrophobicContact SD-CB 4.01Å
416G97.7Very high97.3Very high3 Ų339.2 Ų39.23%0.03119%0.191CC..Hα-helixtrans-57.8-38.5-179.800000113.5V158 R160 R412 D413 E420V158-G416 WeakPolarHBondContact O-CA 3.29Å; R160-G416 PolarHBondContact N-O 3.34Å; R412-G416 PolarHBondContact O-N 3.1Å; D413-G416 PolarHBondContact O-N 3.08Å; G416-E420 WeakPolarHBondContact O-CB 3.2Å; G416-E420 PolarHBondContact O-N 2.94Å
417L96.7Very high97.3Very high105 Ų10537.3 Ų37.355%0.5518%0.182SC..Hα-helixtrans-72.1-42.5176-70.4171000112.2R160 D413 E414 M415 E420 E421R160-L417 HydrophobicContact CG-CD2 4.45Å; D413-L417 WeakPolarHBondContact O-CG 3.33Å; D413-L417 PolarHBondContact O-N 3.1Å; D413-L417 VanDerWaalsContact O-N 3.11Å; E414-L417 PolarHBondContact O-N 3.43Å; M415-L417 VanDerWaalsContact C-N 3.27Å; M415-L417 PolarHBondContact O-N 3.27Å; L417-E420 PolarHBondContact O-N 2.89Å; L417-E421 WeakPolarHBondContact O-CB 3.35Å; L417-E421 PolarHBondContact O-N 2.97Å
418A98.5Very high97.3Very high7 Ų734.7 Ų34.76%0.05817%0.169CC..Hα-helixtrans-63.9-40.6178.700000112.1E414 M415 E421 G422 T435 K438E414-A418 WeakPolarHBondContact O-CB 3.44Å; E414-A418 PolarHBondContact O-N 3.45Å; M415-A418 PolarHBondContact O-N 3.47Å; M415-A418 VanDerWaalsContact O-N 3.15Å; A418-E421 PolarHBondContact O-N 2.72Å; A418-G422 PolarHBondContact O-N 2.88Å; A418-T435 HydrophobicContact CB-CG2 4.24Å; A418-T435 WeakPolarHBondContact O-CG2 3.38Å; A418-T435 PolarHBondContact O-OG1 3.31Å; A418-K438 HydrophobicContact CB-CB 4.24Å; A418-K438 HydrophobicContact CB-CG 3.79Å
419M98.5Very high97.3Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-67.1-41.9176.6-71.3-57.3-67.900112.3V158 Y159 M415 E421 C423 G424 T435 L439 A475 M478V158-M419 HydrophobicContact CB-CG 4.45Å; V158-M419 HydrophobicContact CG2-CE 4.22Å; V158-M419 HydrophobicContact CG2-CG 4.44Å; V158-M419 VanDerWaalsContact O-CB 3.29Å; V158-M419 WeakPolarHBondContact O-CB 3.02Å; V158-M419 WeakPolarHBondContact O-CG 3.36Å; Y159-M419 HydrophobicContact CD1-CB 3.94Å; Y159-M419 HydrophobicContact CE1-CB 3.93Å; Y159-M419 HydrophobicContact CE1-CE 4.34Å; Y159-M419 WeakPolarHBondContact CE1-O 3.48Å; Y159-M419 HydrophobicContact CE2-CE 4.36Å; Y159-M419 HydrophobicContact CG-CB 4.46Å; M415-M419 HydrophobicContact CG-CG 4.37Å; M415-M419 WeakPolarHBondContact O-CG 3.34Å; M415-M419 PolarHBondContact O-N 2.9Å; M419-E421 VanDerWaalsContact C-N 3.31Å; M419-E421 PolarHBondContact O-N 3.37Å; M419-C423 HydrophobicContact CE-CB 3.86Å; M419-C423 CarbonylContact O-C 3.58Å; M419-C423 VanDerWaalsContact O-C 3.3Å; M419-C423 VanDerWaalsContact O-CA 3.29Å; M419-C423 WeakPolarHBondContact O-CA 3.17Å; M419-C423 WeakPolarHBondContact O-CB 3.42Å; M419-C423 PolarHBondContact O-N 3.06Å; M419-C423 HydrophobicContact SD-CB 4.49Å; M419-G424 PolarHBondContact O-N 3.47Å; M419-T435 HydrophobicContact SD-CG2 3.85Å; M419-L439 HydrophobicContact SD-CD1 3.97Å; M419-A475 HydrophobicContact CE-CB 4.33Å; M419-A475 HydrophobicContact CG-CB 4.19Å; M419-A475 HydrophobicContact SD-CB 3.87Å; M419-M478 HydrophobicContact CE-CB 3.74Å; M419-M478 HydrophobicContact CE-CG 4.37Å; M419-M478 HydrophobicContact CE-SD 3.78Å
420E94.9Very high97.4Very high42 Ų4239.9 Ų39.920%0.19619%0.193CC..Hα-helixtrans-62.6-38.5175.5-169.378.5-149.500111.7Y161 G416 L417Y161-E420 PolarHBondContact N-OE2 2.94Å; G416-E420 WeakPolarHBondContact O-CB 3.2Å; G416-E420 PolarHBondContact O-N 2.94Å; L417-E420 PolarHBondContact O-N 2.89Å
421E95.3Very high97.4Very high87 Ų8736.8 Ų36.841%0.40718%0.182SC..Hα-helixtrans-73.5-50.4-178.2-172-178.3-172.400112.9L417 A418 M419 L431 K434L417-E421 WeakPolarHBondContact O-CB 3.35Å; L417-E421 PolarHBondContact O-N 2.97Å; A418-E421 PolarHBondContact O-N 2.72Å; M419-E421 VanDerWaalsContact C-N 3.31Å; M419-E421 PolarHBondContact O-N 3.37Å; E421-L431 HydrophobicContact CG-CD2 4.2Å; E421-K434 IonicContact OE1-NZ 3.02Å; E421-K434 PolarHBondContact OE1-NZ 3.17Å; E421-K434 IonicContact OE2-NZ 3.93Å; E421-K434 PolarHBondContact OE2-NZ 3.05Å
422G97Very high97.4Very high0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-98.3-21-173.100000115.7A418 M432 T435A418-G422 PolarHBondContact O-N 2.88Å; G422-M432 WeakPolarHBondContact O-CG 3.47Å; G422-T435 VanDerWaalsContact CA-OG1 3.31Å; G422-T435 WeakPolarHBondContact CA-OG1 3.48Å; G422-T435 PolarHBondContact N-OG1 3.48Å
423C97.4Very high97.4Very high1 Ų135.8 Ų35.81%0.00718%0.182CC..SBendtrans-120.525.7-178.6-61.50000112.7Y159 M419Y159-C423 HydrophobicContact CE1-CB 4.35Å; Y159-C423 PolarHBondContact OH-O 2.93Å; M419-C423 HydrophobicContact CE-CB 3.86Å; M419-C423 CarbonylContact O-C 3.58Å; M419-C423 VanDerWaalsContact O-C 3.3Å; M419-C423 VanDerWaalsContact O-CA 3.29Å; M419-C423 WeakPolarHBondContact O-CA 3.17Å; M419-C423 WeakPolarHBondContact O-CB 3.42Å; M419-C423 PolarHBondContact O-N 3.06Å; M419-C423 HydrophobicContact SD-CB 4.49Å
424G95.7Very high97.4Very high6 Ų637.4 Ų37.46%0.06219%0.186CC..SBendtrans-72.2-159.2173.200000114.5M419 R427M419-G424 PolarHBondContact O-N 3.47Å; G424-R427 PolarHBondContact O-NE 3.11Å; G424-R427 VanDerWaalsContact O-NE 3.15Å
425I95.4Very high97.4Very high24 Ų2435.6 Ų35.612%0.12318%0.177CC..SBendtrans-56.7-52.3-178.7-63.2170.9000111.4Y191 Q252 P312 Q493Y191-I425 HydrophobicContact CD1-CD1 3.95Å; Y191-I425 HydrophobicContact CD1-CG1 3.66Å; Y191-I425 HydrophobicContact CD2-CG1 4.1Å; Y191-I425 HydrophobicContact CE1-CG1 4.05Å; Y191-I425 HydrophobicContact CE2-CG1 4.47Å; Y191-I425 HydrophobicContact CG-CD1 4.29Å; Y191-I425 HydrophobicContact CG-CG1 3.71Å; Q252-I425 HydrophobicContact CG-CG2 3.95Å; P312-I425 HydrophobicContact CB-CD1 3.64Å; P312-I425 HydrophobicContact CG-CD1 4.06Å; I425-Q493 WeakPolarHBondContact O-CB 3.29Å
426Y96.6Very high97.4Very high30 Ų3036.1 Ų36.112%0.11818%0.18CC..EExtended strand (participates in β ladder)trans-112.2141.6176.6-78.5-76.8000109.8Q252 W255 H256 Q493 L495Q252-Y426 HydrophobicContact CB-CE2 4.1Å; Q252-Y426 WeakPolarHBondContact CB-OH 2.89Å; Q252-Y426 HydrophobicContact CG-CE2 4Å; W255-Y426 HydrophobicContact CB-CD2 4.01Å; W255-Y426 HydrophobicContact CB-CE2 3.99Å; W255-Y426 AromaticContact CD1-CD2 3.91Å; W255-Y426 AromaticContact CD2-CD2 3.33Å; W255-Y426 HydrophobicContact CD2-CD2 3.33Å; W255-Y426 AromaticContact CD2-CE2 3.74Å; W255-Y426 HydrophobicContact CD2-CE2 3.74Å; W255-Y426 HydrophobicContact CD2-CG 4.25Å; W255-Y426 AromaticContact CE2-CD2 3.73Å; W255-Y426 AromaticContact CE3-CD2 3.62Å; W255-Y426 HydrophobicContact CE3-CD2 3.62Å; W255-Y426 AromaticContact CE3-CE2 3.61Å; W255-Y426 HydrophobicContact CE3-CE2 3.61Å; W255-Y426 HydrophobicContact CE3-CG 4.47Å; W255-Y426 AromaticContact CG-CD2 3.5Å; W255-Y426 HydrophobicContact CG-CD2 3.5Å; W255-Y426 AromaticContact CG-CE2 3.91Å; W255-Y426 HydrophobicContact CG-CE2 3.91Å; W255-Y426 HydrophobicContact CZ2-CD2 4.35Å; W255-Y426 HydrophobicContact CZ3-CD2 4.23Å; W255-Y426 HydrophobicContact CZ3-CE2 4.31Å; H256-Y426 AromaticContact NE2-CZ 3.87Å; H256-Y426 PolarHBondContact NE2-OH 2.98Å; H256-Y426 VanDerWaalsContact NE2-OH 3.08Å; Y426-Q493 CarbonylContact C-O 3.57Å; Y426-Q493 WeakPolarHBondContact CA-O 3.35Å; Y426-Q493 HydrophobicContact CD1-CB 3.6Å; Y426-Q493 HydrophobicContact CE1-CB 3.64Å; Y426-Q493 HydrophobicContact CE1-CG 4.3Å; Y426-Q493 HydrophobicContact CG-CB 4.4Å; Y426-L495 HydrophobicContact CD1-CD1 4.31Å; Y426-L495 HydrophobicContact CD1-CD2 3.45Å; Y426-L495 VanDerWaalsContact CD1-CD2 3.45Å; Y426-L495 HydrophobicContact CD1-CG 3.79Å; Y426-L495 HydrophobicContact CE1-CD2 3.85Å; Y426-L495 HydrophobicContact CG-CD1 4.33Å; Y426-L495 HydrophobicContact CG-CD2 4.2Å; Y426-L495 HydrophobicContact CG-CG 4.28Å
427R97.4Very high97.5Very high2 Ų240.4 Ų40.41%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-129.2146.7-171-51.1180-167.9172.812.5110.2E187 G424 M432 H492 Q493 R494 L495E187-R427 VanDerWaalsContact O-CZ 3.27Å; E187-R427 PolarHBondContact O-NH1 2.74Å; E187-R427 PolarHBondContact O-NH2 2.67Å; G424-R427 PolarHBondContact O-NE 3.11Å; G424-R427 VanDerWaalsContact O-NE 3.15Å; R427-M432 HydrophobicContact CB-CE 3.94Å; R427-M432 HydrophobicContact CB-CG 4.11Å; R427-M432 HydrophobicContact CB-SD 3.79Å; R427-M432 HydrophobicContact CG-SD 4.43Å; R427-H492 PolarHBondContact NH1-ND1 3.03Å; R427-Q493 PolarHBondContact N-O 3.46Å; R427-R494 WeakPolarHBondContact O-CA 3.3Å; R427-L495 PolarHBondContact O-N 3.33Å
428T97.9Very high97.6Very high30 Ų3038 Ų3818%0.18419%0.187CC..  trans-128.1154.2169.683.40000109.3E430 L431 M432 L495T428-E430 WeakPolarHBondContact CB-OE2 3.29Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-OE2 3.06Å; T428-L431 PolarHBondContact O-N 3.44Å; T428-L431 PolarHBondContact OG1-N 3.01Å; T428-M432 WeakPolarHBondContact O-CE 3.4Å; T428-M432 WeakPolarHBondContact O-CG 2.93Å; T428-M432 PolarHBondContact O-N 3.44Å; T428-L495 HydrophobicContact CG2-CB 4.3Å; T428-L495 HydrophobicContact CG2-CD1 4.36Å
429P97.8Very high97.6Very high32 Ų3237.8 Ų37.821%0.20819%0.185CC..Hα-helixtrans-53.8-40.5177.4-24.633.3000112.5M432 Q433 M483 D496P429-M432 PolarHBondContact O-N 2.84Å; P429-Q433 VanDerWaalsContact O-CB 3.31Å; P429-Q433 WeakPolarHBondContact O-CB 3.39Å; P429-Q433 PolarHBondContact O-N 2.91Å; P429-M483 WeakPolarHBondContact O-CE 3.5Å; P429-D496 HydrophobicContact CG-CB 3.7Å; P429-D496 WeakPolarHBondContact CG-OD2 3.17Å
430E98.3Very high97.6Very high132 Ų13240 Ų4062%0.61720%0.203SC*.Hα-helixtrans-65.3-45.8-177-5472.1-152.600111.2T428 K434T428-E430 WeakPolarHBondContact CB-OE2 3.29Å; T428-E430 PolarHBondContact O-N 3.14Å; T428-E430 PolarHBondContact OG1-OE2 3.06Å; E430-K434 WeakPolarHBondContact O-CB 3.03Å; E430-K434 PolarHBondContact O-N 2.86Å
431L98.2Very high97.7Very high54 Ų5441.5 Ų41.528%0.28321%0.21SC..Hα-helixtrans-71.5-39.4179.9-62.9178.7000111.7E421 T428 K434 T435E421-L431 HydrophobicContact CG-CD2 4.2Å; T428-L431 PolarHBondContact O-N 3.44Å; T428-L431 PolarHBondContact OG1-N 3.01Å; L431-K434 PolarHBondContact O-N 2.88Å; L431-T435 PolarHBondContact O-N 3.1Å; L431-T435 PolarHBondContact O-OG1 3.09Å; L431-T435 VanDerWaalsContact O-OG1 3.09Å
432M98.5Very high97.9Very high0 Ų037.3 Ų37.30%019%0.191CC..Hα-helixtrans-64.3-42.6175.3-74.6-176-71.800111.9G422 R427 T428 P429 T435 I436 A482 M483G422-M432 WeakPolarHBondContact O-CG 3.47Å; R427-M432 HydrophobicContact CB-CE 3.94Å; R427-M432 HydrophobicContact CB-CG 4.11Å; R427-M432 HydrophobicContact CB-SD 3.79Å; R427-M432 HydrophobicContact CG-SD 4.43Å; T428-M432 WeakPolarHBondContact O-CE 3.4Å; T428-M432 WeakPolarHBondContact O-CG 2.93Å; T428-M432 PolarHBondContact O-N 3.44Å; P429-M432 PolarHBondContact O-N 2.84Å; M432-T435 PolarHBondContact O-N 2.83Å; M432-I436 WeakPolarHBondContact O-CG1 3.46Å; M432-I436 PolarHBondContact O-N 3.02Å; M432-A482 VanDerWaalsContact SD-C 3.58Å; M432-A482 HydrophobicContact SD-CB 3.8Å; M432-M483 HydrophobicContact CB-CE 3.67Å; M432-M483 HydrophobicContact CB-SD 4.5Å
433Q98.5Very high97.9Very high82 Ų8238.7 Ų38.738%0.38320%0.197SC..Hα-helixtrans-64.5-44.2177.5-173.160.654.400110.9P429 T435 I436 D437 M483P429-Q433 VanDerWaalsContact O-CB 3.31Å; P429-Q433 WeakPolarHBondContact O-CB 3.39Å; P429-Q433 PolarHBondContact O-N 2.91Å; Q433-T435 PolarHBondContact O-N 3.06Å; Q433-I436 PolarHBondContact O-N 3.19Å; Q433-I436 VanDerWaalsContact O-N 3.13Å; Q433-D437 PolarHBondContact NE2-OD1 2.68Å; Q433-D437 VanDerWaalsContact O-CG 3.24Å; Q433-D437 PolarHBondContact O-N 3.31Å; Q433-M483 HydrophobicContact CB-CE 3.7Å; Q433-M483 VanDerWaalsContact N-CE 3.3Å
434K98.7Very high97.9Very high104 Ų10443.5 Ų43.545%0.45222%0.22SC..Hα-helixtrans-56-41174-178.5-170.5176.6-160.70111.5E421 E430 L431 K438E421-K434 IonicContact OE1-NZ 3.02Å; E421-K434 PolarHBondContact OE1-NZ 3.17Å; E421-K434 IonicContact OE2-NZ 3.93Å; E421-K434 PolarHBondContact OE2-NZ 3.05Å; E430-K434 WeakPolarHBondContact O-CB 3.03Å; E430-K434 PolarHBondContact O-N 2.86Å; L431-K434 PolarHBondContact O-N 2.88Å; K434-K438 VanDerWaalsContact O-CB 3.23Å; K434-K438 WeakPolarHBondContact O-CB 3.33Å; K434-K438 PolarHBondContact O-N 3.47Å
435T98.7Very high98Very high1 Ų144 Ų441%0.00622%0.22CC..Hα-helixtrans-66.4-43.5176-62.90000112A418 M419 G422 L431 M432 Q433 K438 L439 A479A418-T435 HydrophobicContact CB-CG2 4.24Å; A418-T435 WeakPolarHBondContact O-CG2 3.38Å; A418-T435 PolarHBondContact O-OG1 3.31Å; M419-T435 HydrophobicContact SD-CG2 3.85Å; G422-T435 VanDerWaalsContact CA-OG1 3.31Å; G422-T435 WeakPolarHBondContact CA-OG1 3.48Å; G422-T435 PolarHBondContact N-OG1 3.48Å; L431-T435 PolarHBondContact O-N 3.1Å; L431-T435 PolarHBondContact O-OG1 3.09Å; L431-T435 VanDerWaalsContact O-OG1 3.09Å; M432-T435 PolarHBondContact O-N 2.83Å; Q433-T435 PolarHBondContact O-N 3.06Å; T435-K438 PolarHBondContact O-N 3.07Å; T435-L439 HydrophobicContact CG2-CD1 3.98Å; T435-L439 HydrophobicContact CG2-CG 4.34Å; T435-L439 VanDerWaalsContact O-CG 3.24Å; T435-L439 WeakPolarHBondContact O-CG 3.5Å; T435-L439 PolarHBondContact O-N 2.91Å; T435-A479 HydrophobicContact CG2-CB 4.29Å
436I98.7Very high98.1Very high16 Ų1644.7 Ų44.78%0.08222%0.222CC..Hα-helixtrans-57.7-51.4174.6-71168.9000110.8M432 Q433 K438 L439 A440 A479 H480 M483M432-I436 WeakPolarHBondContact O-CG1 3.46Å; M432-I436 PolarHBondContact O-N 3.02Å; Q433-I436 PolarHBondContact O-N 3.19Å; Q433-I436 VanDerWaalsContact O-N 3.13Å; I436-K438 VanDerWaalsContact C-N 3.25Å; I436-K438 PolarHBondContact O-N 2.71Å; I436-L439 PolarHBondContact O-N 2.92Å; I436-L439 VanDerWaalsContact O-N 3.16Å; I436-A440 PolarHBondContact O-N 2.72Å; I436-A479 HydrophobicContact CG1-CB 3.75Å; I436-H480 WeakPolarHBondContact CG2-NE2 3.4Å; I436-M483 HydrophobicContact CD1-CB 3.79Å; I436-M483 HydrophobicContact CD1-CE 4.27Å; I436-M483 HydrophobicContact CD1-CG 4.15Å
437D98.6Very high98.1Very high94 Ų9448.9 Ų48.950%0.50324%0.241SC..Hα-helixtrans-60.5-39.2-179.8-62.3-15.7000111.1Q433 A440 E441Q433-D437 PolarHBondContact NE2-OD1 2.68Å; Q433-D437 VanDerWaalsContact O-CG 3.24Å; Q433-D437 PolarHBondContact O-N 3.31Å; D437-A440 PolarHBondContact O-N 3.43Å; D437-E441 PolarHBondContact O-N 2.76Å
438K98.8Very high98.2Very high55 Ų5555.1 Ų55.124%0.23926%0.264CS..Hα-helixtrans-66.1-44177-176.157.9-179.7168.60111.7E414 A418 K434 T435 I436 A440 E441 L442E414-K438 WeakPolarHBondContact OE2-CE 3.24Å; E414-K438 IonicContact OE2-NZ 2.8Å; E414-K438 PolarHBondContact OE2-NZ 3.37Å; A418-K438 HydrophobicContact CB-CB 4.24Å; A418-K438 HydrophobicContact CB-CG 3.79Å; K434-K438 VanDerWaalsContact O-CB 3.23Å; K434-K438 WeakPolarHBondContact O-CB 3.33Å; K434-K438 PolarHBondContact O-N 3.47Å; T435-K438 PolarHBondContact O-N 3.07Å; I436-K438 VanDerWaalsContact C-N 3.25Å; I436-K438 PolarHBondContact O-N 2.71Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 2.96Å; K438-E441 VanDerWaalsContact CD-OE2 3.28Å; K438-E441 WeakPolarHBondContact CD-OE2 3.37Å; K438-E441 VanDerWaalsContact CE-OE2 3.31Å; K438-E441 WeakPolarHBondContact CE-OE2 3.34Å; K438-E441 IonicContact NZ-OE1 3.39Å; K438-E441 IonicContact NZ-OE2 3.77Å; K438-E441 PolarHBondContact NZ-OE2 3Å; K438-E441 PolarHBondContact O-N 3.43Å; K438-L442 HydrophobicContact CD-CG 4.34Å; K438-L442 HydrophobicContact CG-CD1 4.25Å; K438-L442 HydrophobicContact CG-CG 4.44Å; K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 VanDerWaalsContact O-CG 3.26Å; K438-L442 WeakPolarHBondContact O-CG 3.23Å; K438-L442 PolarHBondContact O-N 2.83Å
439L98.5Very high98.1Very high1 Ų153.7 Ų53.71%0.00526%0.255CS..Hα-helixtrans-63-41177.9-70.2168.9000111.4M415 M419 T435 I436 L442 Q443 L472 A475 A479M415-L439 HydrophobicContact CG-CD2 3.87Å; M419-L439 HydrophobicContact SD-CD1 3.97Å; T435-L439 HydrophobicContact CG2-CD1 3.98Å; T435-L439 HydrophobicContact CG2-CG 4.34Å; T435-L439 VanDerWaalsContact O-CG 3.24Å; T435-L439 WeakPolarHBondContact O-CG 3.5Å; T435-L439 PolarHBondContact O-N 2.91Å; I436-L439 PolarHBondContact O-N 2.92Å; I436-L439 VanDerWaalsContact O-N 3.16Å; L439-L442 PolarHBondContact O-N 2.86Å; L439-Q443 WeakPolarHBondContact O-CG 3.44Å; L439-Q443 PolarHBondContact O-N 3.11Å; L439-L472 HydrophobicContact CD2-CD2 4.45Å; L439-A475 HydrophobicContact CD1-CB 4.13Å; L439-A475 HydrophobicContact CD2-CB 3.78Å; L439-A479 HydrophobicContact CD1-CB 3.81Å
440A98Very high98.1Very high47 Ų4758.5 Ų58.539%0.38827%0.269SS..Hα-helixtrans-61-45.117400000112I436 D437 K438 L442 Q443 E444I436-A440 PolarHBondContact O-N 2.72Å; D437-A440 PolarHBondContact O-N 3.43Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 2.96Å; A440-L442 VanDerWaalsContact C-N 3.34Å; A440-L442 PolarHBondContact O-N 2.94Å; A440-Q443 PolarHBondContact O-N 3.16Å; A440-E444 PolarHBondContact O-N 3.23Å; A440-E444 VanDerWaalsContact O-N 3.11Å
441E98.4Very high98Very high73 Ų7352.8 Ų52.834%0.34124%0.243SC..Hα-helixtrans-61.5-40.1174.3174.4-96174.300112.6D437 K438 E444 R445D437-E441 PolarHBondContact O-N 2.76Å; K438-E441 VanDerWaalsContact CD-OE2 3.28Å; K438-E441 WeakPolarHBondContact CD-OE2 3.37Å; K438-E441 VanDerWaalsContact CE-OE2 3.31Å; K438-E441 WeakPolarHBondContact CE-OE2 3.34Å; K438-E441 IonicContact NZ-OE1 3.39Å; K438-E441 IonicContact NZ-OE2 3.77Å; K438-E441 PolarHBondContact NZ-OE2 3Å; K438-E441 PolarHBondContact O-N 3.43Å; E441-E444 PolarHBondContact O-N 2.8Å; E441-R445 PolarHBondContact O-N 3.27Å; E441-R445 WeakPolarHBondContact OE1-CD 3.44Å; E441-R445 IonicContact OE1-CZ 2.86Å; E441-R445 IonicContact OE1-NE 3.91Å; E441-R445 IonicContact OE1-NH1 2.88Å; E441-R445 PolarHBondContact OE1-NH1 2.76Å; E441-R445 IonicContact OE2-NH1 3.53Å
442L98.6Very high97.8Very high0 Ų055 Ų550%026%0.259CS..Hα-helixtrans-68.1-36.7177-69.3180000112.5I411 E414 M415 K438 L439 A440 R445 F446 L472I411-L442 HydrophobicContact CG2-CB 4.11Å; I411-L442 HydrophobicContact CG2-CD2 4.13Å; I411-L442 HydrophobicContact CG2-CG 4.5Å; E414-L442 HydrophobicContact CB-CD1 4.11Å; E414-L442 HydrophobicContact CB-CD2 3.95Å; M415-L442 HydrophobicContact CB-CD1 3.86Å; K438-L442 HydrophobicContact CD-CG 4.34Å; K438-L442 HydrophobicContact CG-CD1 4.25Å; K438-L442 HydrophobicContact CG-CG 4.44Å; K438-L442 WeakPolarHBondContact O-CB 3.46Å; K438-L442 VanDerWaalsContact O-CG 3.26Å; K438-L442 WeakPolarHBondContact O-CG 3.23Å; K438-L442 PolarHBondContact O-N 2.83Å; L439-L442 PolarHBondContact O-N 2.86Å; A440-L442 VanDerWaalsContact C-N 3.34Å; A440-L442 PolarHBondContact O-N 2.94Å; L442-R445 PolarHBondContact O-N 3.12Å; L442-F446 WeakPolarHBondContact O-CB 3.32Å; L442-F446 PolarHBondContact O-N 3.41Å; L442-L472 HydrophobicContact CB-CD2 3.85Å
443Q97.6Very high97.6Very high28 Ų2857.8 Ų57.813%0.13127%0.274CS..Hα-helixtrans-62.9-40.5172.5-74.6-173.319.400111.7L439 A440 R445 F446 K447 L472 E476L439-Q443 WeakPolarHBondContact O-CG 3.44Å; L439-Q443 PolarHBondContact O-N 3.11Å; A440-Q443 PolarHBondContact O-N 3.16Å; Q443-R445 VanDerWaalsContact C-N 3.33Å; Q443-R445 PolarHBondContact O-N 2.79Å; Q443-F446 WeakPolarHBondContact O-CB 3.11Å; Q443-F446 PolarHBondContact O-N 3.08Å; Q443-K447 PolarHBondContact O-N 3.04Å; Q443-L472 HydrophobicContact CG-CB 4.06Å; Q443-L472 HydrophobicContact CG-CD1 4.42Å; Q443-L472 PolarHBondContact NE2-O 3.26Å; Q443-E476 PolarHBondContact NE2-OE2 2.89Å
444E97.2Very high97.1Very high103 Ų10360.3 Ų60.348%0.48130%0.295SS..Hα-helixtrans-66.4-34.2173.9-69-53.1137.500112.8A440 E441 K447A440-E444 PolarHBondContact O-N 3.23Å; A440-E444 VanDerWaalsContact O-N 3.11Å; E441-E444 PolarHBondContact O-N 2.8Å; E444-K447 IonicContact OE1-NZ 2.91Å; E444-K447 PolarHBondContact OE1-NZ 2.93Å; E444-K447 IonicContact OE2-NZ 2.92Å; E444-K447 PolarHBondContact OE2-NZ 3.37Å
445R98.2Very high96.8Very high17 Ų1757.6 Ų57.66%0.06429%0.289CS..Hα-helixtrans-69.5-35.9172.8-75.7171.963-160.6-9.6112.4E406 I411 E414 E441 L442 Q443 K447 R448 V449E406-R445 HydrophobicContact CG-CB 4.04Å; E406-R445 HydrophobicContact CG-CG 4.39Å; E406-R445 IonicContact OE1-CZ 3.37Å; E406-R445 IonicContact OE1-NE 3.46Å; E406-R445 PolarHBondContact OE1-NE 2.95Å; E406-R445 IonicContact OE1-NH2 3.81Å; E406-R445 IonicContact OE2-CZ 3.48Å; E406-R445 IonicContact OE2-NE 2.99Å; E406-R445 PolarHBondContact OE2-NE 3.17Å; E406-R445 IonicContact OE2-NH2 2.97Å; E406-R445 PolarHBondContact OE2-NH2 3.41Å; I411-R445 HydrophobicContact CD1-CB 4.07Å; I411-R445 HydrophobicContact CG1-CB 4.49Å; E414-R445 VanDerWaalsContact CD-NH1 3.3Å; E414-R445 IonicContact OE1-CZ 3.79Å; E414-R445 IonicContact OE1-NH1 3.99Å; E414-R445 PolarHBondContact OE1-NH1 3.27Å; E414-R445 VanDerWaalsContact OE1-NH1 3.11Å; E414-R445 IonicContact OE1-NH2 3.84Å; E414-R445 PolarHBondContact OE1-NH2 2.97Å; E414-R445 IonicContact OE2-CZ 3.02Å; E414-R445 IonicContact OE2-NH1 3.14Å; E414-R445 PolarHBondContact OE2-NH1 2.94Å; E441-R445 PolarHBondContact O-N 3.27Å; E441-R445 WeakPolarHBondContact OE1-CD 3.44Å; E441-R445 IonicContact OE1-CZ 2.86Å; E441-R445 IonicContact OE1-NE 3.91Å; E441-R445 IonicContact OE1-NH1 2.88Å; E441-R445 PolarHBondContact OE1-NH1 2.76Å; E441-R445 IonicContact OE2-NH1 3.53Å; L442-R445 PolarHBondContact O-N 3.12Å; Q443-R445 VanDerWaalsContact C-N 3.33Å; Q443-R445 PolarHBondContact O-N 2.79Å; R445-K447 PolarHBondContact O-N 2.66Å; R445-R448 CarbonylContact O-C 3.59Å; R445-R448 WeakPolarHBondContact O-CA 3.35Å; R445-R448 PolarHBondContact O-N 3.23Å; R445-V449 PolarHBondContact O-N 3.44Å
446F97.7Very high96.2Very high38 Ų3861.4 Ų61.417%0.16732%0.316CS..Hα-helixtrans-59.4-33.6177.8-175-98.7000112.6Q402 I411 L442 Q443 R448 V449 T465 L468 L472Q402-F446 PolarHBondContact NE2-O 3.42Å; Q402-F446 VanDerWaalsContact NE2-O 3.15Å; I411-F446 HydrophobicContact CD1-CB 4.48Å; L442-F446 WeakPolarHBondContact O-CB 3.32Å; L442-F446 PolarHBondContact O-N 3.41Å; Q443-F446 WeakPolarHBondContact O-CB 3.11Å; Q443-F446 PolarHBondContact O-N 3.08Å; F446-R448 PolarHBondContact O-N 3.25Å; F446-V449 HydrophobicContact CD2-CG1 4.34Å; F446-V449 HydrophobicContact CE2-CG1 4.24Å; F446-V449 WeakPolarHBondContact O-CB 3.45Å; F446-V449 VanDerWaalsContact O-CG1 3.26Å; F446-V449 WeakPolarHBondContact O-CG1 3.45Å; F446-V449 PolarHBondContact O-N 3.27Å; F446-T465 HydrophobicContact CE2-CG2 3.84Å; F446-T465 VanDerWaalsContact CE2-O 3.26Å; F446-T465 WeakPolarHBondContact CE2-O 3.4Å; F446-T465 HydrophobicContact CZ-CG2 4.02Å; F446-T465 VanDerWaalsContact CZ-O 3.27Å; F446-T465 WeakPolarHBondContact CZ-O 3.18Å; F446-L468 HydrophobicContact CD2-CD2 3.8Å; F446-L468 HydrophobicContact CD2-CG 4.01Å; F446-L468 HydrophobicContact CE2-CB 4.13Å; F446-L468 HydrophobicContact CE2-CD2 3.93Å; F446-L468 HydrophobicContact CE2-CG 3.96Å; F446-L472 HydrophobicContact CB-CD1 3.79Å; F446-L472 HydrophobicContact CD2-CD1 3.97Å; F446-L472 HydrophobicContact CG-CD1 3.9Å
447K96.7Very high95.9Very high117 Ų11763.7 Ų63.751%0.50933%0.331SS..THydrogen-bonded Turntrans-61.8-8.3172.3-60.6175.3-171.7168.20114.6Q402 Q443 E444 R445Q402-K447 VanDerWaalsContact CD-O 3.27Å; Q402-K447 PolarHBondContact NE2-O 3.17Å; Q402-K447 PolarHBondContact OE1-O 3.08Å; Q443-K447 PolarHBondContact O-N 3.04Å; E444-K447 IonicContact OE1-NZ 2.91Å; E444-K447 PolarHBondContact OE1-NZ 2.93Å; E444-K447 IonicContact OE2-NZ 2.92Å; E444-K447 PolarHBondContact OE2-NZ 3.37Å; R445-K447 PolarHBondContact O-N 2.66Å
448R97.7Very high95.7Very high133 Ų13363.9 Ų63.950%0.50233%0.327SS..THydrogen-bonded Turntrans-125.119.3178.8-59177.2-67.9173.52.1111.7G404 G405 E406 R445 F446G404-R448 CarbonylContact C-O 3.52Å; G404-R448 VanDerWaalsContact CA-O 3.27Å; G404-R448 WeakPolarHBondContact CA-O 3.4Å; G405-R448 PolarHBondContact N-O 3.45Å; E406-R448 WeakPolarHBondContact CB-O 3.16Å; E406-R448 HydrophobicContact CG-CB 4.35Å; E406-R448 PolarHBondContact N-O 3.41Å; E406-R448 VanDerWaalsContact N-O 3.08Å; R445-R448 CarbonylContact O-C 3.59Å; R445-R448 WeakPolarHBondContact O-CA 3.35Å; R445-R448 PolarHBondContact O-N 3.23Å; F446-R448 PolarHBondContact O-N 3.25Å
449V97.7Very high95.5Very high0 Ų061.7 Ų61.70%032%0.318CS..BIsolated β-bridgetrans-67.6140.6172.476.90000109.5L399 Q402 E406 W408 R445 F446 T465L399-V449 HydrophobicContact CD1-CG1 4.22Å; Q402-V449 VanDerWaalsContact NE2-CG1 3.33Å; Q402-V449 VanDerWaalsContact NE2-N 3.12Å; Q402-V449 PolarHBondContact NE2-O 2.73Å; E406-V449 WeakPolarHBondContact O-CA 3.42Å; W408-V449 HydrophobicContact CB-CG2 3.89Å; R445-V449 PolarHBondContact O-N 3.44Å; F446-V449 HydrophobicContact CD2-CG1 4.34Å; F446-V449 HydrophobicContact CE2-CG1 4.24Å; F446-V449 WeakPolarHBondContact O-CB 3.45Å; F446-V449 VanDerWaalsContact O-CG1 3.26Å; F446-V449 WeakPolarHBondContact O-CG1 3.45Å; F446-V449 PolarHBondContact O-N 3.27Å; V449-T465 HydrophobicContact CG1-CG2 3.59Å; V449-T465 HydrophobicContact CG2-CG2 4.27Å
450R97Very high95.3Very high133 Ų13364.8 Ų64.850%0.50234%0.337SS..  trans-117124.7176178172.6176.6177.23.1109.8G404 E406 T452G404-R450 WeakPolarHBondContact O-CB 3.49Å; G404-R450 VanDerWaalsContact O-CD 3.23Å; G404-R450 WeakPolarHBondContact O-CD 3.09Å; E406-R450 PolarHBondContact O-N 2.79Å; E406-R450 VanDerWaalsContact O-N 3.08Å; R450-T452 HydrophobicContact CG-CG2 4.44Å
451I96.5Very high95.2Very high12 Ų1263.5 Ų63.56%0.06232%0.323CS..  trans-80.6124.3167.7-63.5169.9000107.4L399 D453 D461 L462 T465L399-I451 HydrophobicContact CD2-CD1 4.38Å; L399-I451 HydrophobicContact CG-CD1 3.89Å; I451-D453 WeakPolarHBondContact CG2-O 3.31Å; I451-D461 HydrophobicContact CG2-CB 4.24Å; I451-L462 HydrophobicContact CD1-CB 4.07Å; I451-L462 HydrophobicContact CD1-CD1 3.42Å; I451-L462 VanDerWaalsContact CD1-CD1 3.42Å; I451-L462 HydrophobicContact CD1-CG 4.35Å; I451-L462 HydrophobicContact CG2-CB 4.44Å; I451-T465 HydrophobicContact CD1-CG2 4.42Å; I451-T465 HydrophobicContact CG1-CG2 4.4Å
452T93.5Very high95.1Very high102 Ų10260.5 Ų60.563%0.62631%0.31SS*.  trans-100.5-31.3-175.558.10000112.4R450 T454 D461R450-T452 HydrophobicContact CG-CG2 4.44Å; T452-T454 PolarHBondContact O-N 3.49Å; T452-D461 WeakPolarHBondContact CA-OD2 3.14Å; T452-D461 PolarHBondContact N-OD2 3.39Å; T452-D461 PolarHBondContact OG1-OD2 2.9Å
453D93.9Very high95Very high58 Ų5860.8 Ų60.831%0.3131%0.311SS..  trans-73.5118.7170.6-172.8-3.6000109.8I451 S455 N459 D461I451-D453 WeakPolarHBondContact CG2-O 3.31Å; D453-S455 WeakPolarHBondContact OD1-CB 3.18Å; D453-S455 PolarHBondContact OD1-N 3.49Å; D453-S455 PolarHBondContact OD1-OG 2.9Å; D453-S455 PolarHBondContact OD2-OG 2.98Å; D453-S455 VanDerWaalsContact OD2-OG 3.11Å; D453-N459 PolarHBondContact O-ND2 3.21Å; D453-D461 HydrophobicContact CB-CB 3.71Å; D453-D461 PolarHBondContact N-OD2 2.76Å
454T87.9Confident95Very high135 Ų13563.9 Ų63.983%0.82832%0.322SS*.  trans-98.73.6-178.853.10000112.5T452T452-T454 PolarHBondContact O-N 3.49Å
455S92.5Very high95Very high47 Ų4759 Ų5933%0.32930%0.299SS..  trans-68.2147.8175.169.40000111.2D453 V457 N459D453-S455 WeakPolarHBondContact OD1-CB 3.18Å; D453-S455 PolarHBondContact OD1-N 3.49Å; D453-S455 PolarHBondContact OD1-OG 2.9Å; D453-S455 PolarHBondContact OD2-OG 2.98Å; D453-S455 VanDerWaalsContact OD2-OG 3.11Å; S455-V457 PolarHBondContact OG-O 3.37Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-ND2 2.91Å
456S87.4Confident95Very high81 Ų8159 Ų5957%0.56630%0.301SS*.SBendtrans-88.7-17.2175.859.90000113G138G138-S456 WeakPolarHBondContact CA-O 3.39Å
457V92.5Very high95Very high64 Ų6458.6 Ų58.639%0.38830%0.299SS..SBendtrans-113.1135.1-171.6-58.10000110.9M135 M136 S455 N459M135-V457 CarbonylContact O-C 3.56Å; M136-V457 WeakPolarHBondContact O-CG1 3.48Å; S455-V457 PolarHBondContact OG-O 3.37Å; V457-N459 PolarHBondContact O-N 3.12Å
458F92.7Very high95.1Very high98 Ų9853.3 Ų53.343%0.4328%0.277SS..SBendtrans43.436.1-177.6-74.5-73.9000114E114 M135 M136 T460E114-F458 HydrophobicContact CG-CE1 4.44Å; E114-F458 HydrophobicContact CG-CZ 4.45Å; M135-F458 HydrophobicContact CB-CD1 4.09Å; M135-F458 HydrophobicContact CB-CE1 4.04Å; M135-F458 HydrophobicContact CE-CD1 3.79Å; M135-F458 HydrophobicContact CE-CE1 3.91Å; M135-F458 PolarHBondContact O-N 2.88Å; M136-F458 HydrophobicContact CB-CE2 4.07Å; M136-F458 HydrophobicContact CB-CZ 4.43Å; M136-F458 HydrophobicContact CG-CE2 3.59Å; M136-F458 HydrophobicContact CG-CZ 3.52Å; F458-T460 VanDerWaalsContact C-N 3.33Å; F458-T460 PolarHBondContact O-N 3.41Å
459N95.3Very high95.1Very high8 Ų847.6 Ų47.64%0.04326%0.259CS..  trans-71.788179.9-174.9-26.9000109.6D453 S455 V457 D461 L462 L463D453-N459 PolarHBondContact O-ND2 3.21Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-ND2 2.91Å; V457-N459 PolarHBondContact O-N 3.12Å; N459-D461 PolarHBondContact O-N 3.49Å; N459-D461 VanDerWaalsContact OD1-CB 3.32Å; N459-D461 WeakPolarHBondContact OD1-CB 3.34Å; N459-D461 PolarHBondContact OD1-N 3.3Å; N459-L462 HydrophobicContact CB-CB 4.17Å; N459-L462 PolarHBondContact O-N 2.98Å; N459-L462 PolarHBondContact OD1-N 3.41Å; N459-L463 WeakPolarHBondContact O-CG 3.27Å; N459-L463 PolarHBondContact O-N 2.86Å; N459-L463 VanDerWaalsContact O-N 3.09Å
460T94.3Very high95.1Very high67 Ų6748.8 Ų48.841%0.41126%0.264SS..Hα-helixtrans-66.5-24.7-179.654.10000112.4F458 Y464F458-T460 VanDerWaalsContact C-N 3.33Å; F458-T460 PolarHBondContact O-N 3.41Å; T460-Y464 HydrophobicContact CG2-CE2 4.37Å; T460-Y464 VanDerWaalsContact O-CB 3.24Å; T460-Y464 WeakPolarHBondContact O-CB 3.48Å; T460-Y464 WeakPolarHBondContact O-CD2 3.5Å; T460-Y464 PolarHBondContact O-N 3.27Å
461D96Very high95.1Very high19 Ų1942.6 Ų42.610%0.10224%0.242CC..Hα-helixtrans-62.7-46.5176-160.317.5000110.2W408 I451 T452 D453 N459 T465W408-D461 PolarHBondContact NE1-OD1 3.35Å; I451-D461 HydrophobicContact CG2-CB 4.24Å; T452-D461 WeakPolarHBondContact CA-OD2 3.14Å; T452-D461 PolarHBondContact N-OD2 3.39Å; T452-D461 PolarHBondContact OG1-OD2 2.9Å; D453-D461 HydrophobicContact CB-CB 3.71Å; D453-D461 PolarHBondContact N-OD2 2.76Å; N459-D461 PolarHBondContact O-N 3.49Å; N459-D461 VanDerWaalsContact OD1-CB 3.32Å; N459-D461 WeakPolarHBondContact OD1-CB 3.34Å; N459-D461 PolarHBondContact OD1-N 3.3Å; D461-T465 VanDerWaalsContact O-CB 3.31Å; D461-T465 WeakPolarHBondContact O-CB 3.31Å; D461-T465 PolarHBondContact O-N 2.84Å; D461-T465 PolarHBondContact O-OG1 3.2Å
462L96.8Very high95.2Very high10 Ų1042.1 Ų42.15%0.05224%0.24CC..Hα-helixtrans-64.6-51.3173.7170.860.7000112.2M133 L396 L399 V400 I451 N459 Y464 T465 I466M133-L462 HydrophobicContact CE-CD2 4.14Å; M133-L462 HydrophobicContact SD-CD2 4.28Å; L396-L462 HydrophobicContact CD1-CD1 3.86Å; L396-L462 HydrophobicContact CD1-CD2 4.13Å; L396-L462 HydrophobicContact CD1-CG 4.43Å; L399-L462 HydrophobicContact CD2-CD1 4.07Å; V400-L462 HydrophobicContact CG2-CD1 3.89Å; V400-L462 HydrophobicContact CG2-CD2 4.05Å; I451-L462 HydrophobicContact CD1-CB 4.07Å; I451-L462 HydrophobicContact CD1-CD1 3.42Å; I451-L462 VanDerWaalsContact CD1-CD1 3.42Å; I451-L462 HydrophobicContact CD1-CG 4.35Å; I451-L462 HydrophobicContact CG2-CB 4.44Å; N459-L462 HydrophobicContact CB-CB 4.17Å; N459-L462 PolarHBondContact O-N 2.98Å; N459-L462 PolarHBondContact OD1-N 3.41Å; L462-Y464 PolarHBondContact O-N 2.65Å; L462-T465 WeakPolarHBondContact O-CB 3.41Å; L462-T465 PolarHBondContact O-N 2.85Å; L462-T465 VanDerWaalsContact O-N 3.15Å; L462-I466 HydrophobicContact CD1-CD1 3.83Å; L462-I466 HydrophobicContact CD1-CG1 4.19Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 WeakPolarHBondContact O-CG1 3.49Å; L462-I466 PolarHBondContact O-N 2.85Å
463L96.1Very high95.4Very high6 Ų638.7 Ų38.73%0.03122%0.218CC..Hα-helixtrans-60-48.4-176-66.4174000111.8F116 M133 M135 N459 T465 I466 E467F116-L463 HydrophobicContact CB-CD2 3.94Å; F116-L463 HydrophobicContact CD1-CD2 4Å; F116-L463 HydrophobicContact CD2-CD2 3.8Å; F116-L463 HydrophobicContact CE1-CD2 4.49Å; F116-L463 HydrophobicContact CE2-CD2 4.3Å; F116-L463 HydrophobicContact CG-CD2 3.63Å; M133-L463 HydrophobicContact CE-CD2 3.34Å; M133-L463 HydrophobicContact CE-CG 4.26Å; M135-L463 HydrophobicContact CE-CD1 3.4Å; M135-L463 HydrophobicContact CG-CD1 4.13Å; M135-L463 HydrophobicContact SD-CD1 3.93Å; N459-L463 WeakPolarHBondContact O-CG 3.27Å; N459-L463 PolarHBondContact O-N 2.86Å; N459-L463 VanDerWaalsContact O-N 3.09Å; L463-T465 PolarHBondContact O-N 3.29Å; L463-I466 PolarHBondContact O-N 3.37Å; L463-I466 VanDerWaalsContact O-N 3.11Å; L463-E467 WeakPolarHBondContact O-CG 3.42Å; L463-E467 PolarHBondContact O-N 2.96Å
464Y97Very high95.7Very high93 Ų9336 Ų3637%0.36520%0.203SC..Hα-helixtrans-68.5-25.5179.3-61.4-19.9000112.6W408 T460 L462 E467 L468W408-Y464 AromaticContact CH2-CD2 3.35Å; W408-Y464 HydrophobicContact CH2-CD2 3.35Å; W408-Y464 HydrophobicContact CH2-CE2 4.28Å; W408-Y464 AromaticContact CH2-CG 3.9Å; W408-Y464 HydrophobicContact CH2-CG 3.9Å; W408-Y464 AromaticContact CZ2-CD2 3.56Å; W408-Y464 HydrophobicContact CZ2-CD2 3.56Å; W408-Y464 HydrophobicContact CZ2-CG 4.21Å; W408-Y464 HydrophobicContact CZ3-CD2 4.11Å; W408-Y464 HydrophobicContact CZ3-CG 4.22Å; T460-Y464 HydrophobicContact CG2-CE2 4.37Å; T460-Y464 VanDerWaalsContact O-CB 3.24Å; T460-Y464 WeakPolarHBondContact O-CB 3.48Å; T460-Y464 WeakPolarHBondContact O-CD2 3.5Å; T460-Y464 PolarHBondContact O-N 3.27Å; L462-Y464 PolarHBondContact O-N 2.65Å; Y464-E467 WeakPolarHBondContact CD1-OE2 3.29Å; Y464-L468 VanDerWaalsContact O-CB 3.28Å; Y464-L468 WeakPolarHBondContact O-CB 3.4Å; Y464-L468 PolarHBondContact O-N 3.45Å
465T97.9Very high96.2Very high0 Ų029.5 Ų29.50%016%0.163CC..Hα-helixtrans-69-41.7170.9-61.60000111.2L399 F446 V449 I451 D461 L462 L463 L468 G469L399-T465 HydrophobicContact CD1-CG2 4Å; L399-T465 HydrophobicContact CD2-CG2 4.25Å; L399-T465 HydrophobicContact CG-CG2 4.45Å; F446-T465 HydrophobicContact CE2-CG2 3.84Å; F446-T465 VanDerWaalsContact CE2-O 3.26Å; F446-T465 WeakPolarHBondContact CE2-O 3.4Å; F446-T465 HydrophobicContact CZ-CG2 4.02Å; F446-T465 VanDerWaalsContact CZ-O 3.27Å; F446-T465 WeakPolarHBondContact CZ-O 3.18Å; V449-T465 HydrophobicContact CG1-CG2 3.59Å; V449-T465 HydrophobicContact CG2-CG2 4.27Å; I451-T465 HydrophobicContact CD1-CG2 4.42Å; I451-T465 HydrophobicContact CG1-CG2 4.4Å; D461-T465 VanDerWaalsContact O-CB 3.31Å; D461-T465 WeakPolarHBondContact O-CB 3.31Å; D461-T465 PolarHBondContact O-N 2.84Å; D461-T465 PolarHBondContact O-OG1 3.2Å; L462-T465 WeakPolarHBondContact O-CB 3.41Å; L462-T465 PolarHBondContact O-N 2.85Å; L462-T465 VanDerWaalsContact O-N 3.15Å; L463-T465 PolarHBondContact O-N 3.29Å; T465-L468 PolarHBondContact O-N 3.27Å; T465-G469 PolarHBondContact O-N 3.01Å
466I97.8Very high96.5Very high19 Ų1928.1 Ų28.110%0.09715%0.152CC..Hα-helixtrans-64.3-49.4175.7-64.5162.6000110.6F116 L118 L396 L399 L462 L463 L468 G469 H470F116-I466 HydrophobicContact CE1-CB 4.38Å; F116-I466 HydrophobicContact CE1-CG2 3.85Å; F116-I466 HydrophobicContact CZ-CG2 4.25Å; L118-I466 HydrophobicContact CD2-CD1 3.75Å; L396-I466 HydrophobicContact CD1-CD1 3.94Å; L399-I466 HydrophobicContact CD2-CG1 3.67Å; L462-I466 HydrophobicContact CD1-CD1 3.83Å; L462-I466 HydrophobicContact CD1-CG1 4.19Å; L462-I466 HydrophobicContact CG-CD1 4.05Å; L462-I466 WeakPolarHBondContact O-CG1 3.49Å; L462-I466 PolarHBondContact O-N 2.85Å; L463-I466 PolarHBondContact O-N 3.37Å; L463-I466 VanDerWaalsContact O-N 3.11Å; I466-L468 VanDerWaalsContact C-N 3.25Å; I466-L468 PolarHBondContact O-N 3.12Å; I466-G469 PolarHBondContact O-N 2.89Å; I466-H470 PolarHBondContact O-CD2 3.3Å; I466-H470 PolarHBondContact O-N 2.97Å
467E97.9Very high97Very high29 Ų2924.2 Ų24.214%0.13613%0.125CC..Hα-helixtrans-54.1-42.6175.8-70.1173.1177.600111.5F116 T169 D171 L463 Y464 G469 H470 G471F116-E467 HydrophobicContact CE2-CG 4Å; F116-E467 HydrophobicContact CZ-CG 3.9Å; T169-E467 HydrophobicContact CG2-CB 4.01Å; T169-E467 HydrophobicContact CG2-CG 4.06Å; D171-E467 WeakPolarHBondContact OD1-CA 3.35Å; L463-E467 WeakPolarHBondContact O-CG 3.42Å; L463-E467 PolarHBondContact O-N 2.96Å; Y464-E467 WeakPolarHBondContact CD1-OE2 3.29Å; E467-G469 VanDerWaalsContact C-N 3.32Å; E467-G469 PolarHBondContact O-N 2.67Å; E467-H470 PolarHBondContact O-N 2.99Å; E467-G471 PolarHBondContact O-N 3.28Å
468L98.3Very high97.3Very high6 Ų621.3 Ų21.33%0.03111%0.107CC..Hα-helixtrans-61.9-38.6177175.763000112.5W408 I411 R412 M415 F446 Y464 T465 I466 H470 G471 L472W408-L468 HydrophobicContact CB-CD2 3.71Å; W408-L468 WeakPolarHBondContact O-CD2 3.13Å; I411-L468 HydrophobicContact CB-CD2 3.88Å; I411-L468 HydrophobicContact CG2-CD1 4.16Å; I411-L468 HydrophobicContact CG2-CD2 3.78Å; I411-L468 HydrophobicContact CG2-CG 4.37Å; R412-L468 HydrophobicContact CB-CD1 3.98Å; R412-L468 HydrophobicContact CG-CD1 4.47Å; M415-L468 HydrophobicContact CE-CD1 3.9Å; M415-L468 HydrophobicContact SD-CD1 4.43Å; F446-L468 HydrophobicContact CD2-CD2 3.8Å; F446-L468 HydrophobicContact CD2-CG 4.01Å; F446-L468 HydrophobicContact CE2-CB 4.13Å; F446-L468 HydrophobicContact CE2-CD2 3.93Å; F446-L468 HydrophobicContact CE2-CG 3.96Å; Y464-L468 VanDerWaalsContact O-CB 3.28Å; Y464-L468 WeakPolarHBondContact O-CB 3.4Å; Y464-L468 PolarHBondContact O-N 3.45Å; T465-L468 PolarHBondContact O-N 3.27Å; I466-L468 VanDerWaalsContact C-N 3.25Å; I466-L468 PolarHBondContact O-N 3.12Å; L468-H470 VanDerWaalsContact C-N 3.34Å; L468-H470 PolarHBondContact O-N 3.44Å; L468-G471 PolarHBondContact O-N 2.7Å; L468-L472 HydrophobicContact CD1-CD1 4.25Å; L468-L472 HydrophobicContact CD1-CG 4.02Å; L468-L472 HydrophobicContact CG-CD1 4.11Å; L468-L472 HydrophobicContact CG-CG 4.37Å; L468-L472 WeakPolarHBondContact O-CG 3.48Å; L468-L472 PolarHBondContact O-N 3.1Å
469G97.7Very high97.6Very high13 Ų1316.6 Ų16.613%0.1349%0.086CC..Hα-helixtrans-59.3-45.4176.400000111.9T465 I466 E467 N473T465-G469 PolarHBondContact O-N 3.01Å; I466-G469 PolarHBondContact O-N 2.89Å; E467-G469 VanDerWaalsContact C-N 3.32Å; E467-G469 PolarHBondContact O-N 2.67Å; G469-N473 PolarHBondContact O-N 3.18Å; G469-N473 PolarHBondContact O-ND2 3.46Å
470H97.9Very high97.7Very high24 Ų2418.7 Ų18.711%0.11110%0.095CC..Hα-helixtrans-66.1-44.9173.5-65.4-62.3000111.9D171 I466 E467 L468 L472 N473 V474D171-H470 IonicContact OD1-CD2 3.46Å; I466-H470 PolarHBondContact O-CD2 3.3Å; I466-H470 PolarHBondContact O-N 2.97Å; E467-H470 PolarHBondContact O-N 2.99Å; L468-H470 VanDerWaalsContact C-N 3.34Å; L468-H470 PolarHBondContact O-N 3.44Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 2.74Å; H470-N473 PolarHBondContact O-N 3.36Å; H470-N473 VanDerWaalsContact O-N 3.15Å; H470-V474 WeakPolarHBondContact O-CG2 3.28Å; H470-V474 PolarHBondContact O-N 3.4Å
471G98.1Very high97.9Very high3 Ų315.5 Ų15.53%0.0318%0.076CC..Hα-helixtrans-57.7-40.8179.500000113.5E467 L468 V474 A475E467-G471 PolarHBondContact O-N 3.28Å; L468-G471 PolarHBondContact O-N 2.7Å; G471-V474 PolarHBondContact O-N 3.47Å; G471-A475 WeakPolarHBondContact O-CB 3.46Å; G471-A475 PolarHBondContact O-N 2.97Å
472L98.4Very high98.1Very high2 Ų214.6 Ų14.61%0.017%0.071CC..Hα-helixtrans-63.3-41.1176.3-76.6168000112.4I411 M415 L439 L442 Q443 F446 L468 H470 E476I411-L472 HydrophobicContact CG2-CD1 4.22Å; I411-L472 HydrophobicContact CG2-CD2 4.4Å; M415-L472 HydrophobicContact CB-CD2 4.46Å; M415-L472 HydrophobicContact CG-CD2 4.37Å; M415-L472 HydrophobicContact SD-CD2 3.8Å; M415-L472 HydrophobicContact SD-CG 4.14Å; L439-L472 HydrophobicContact CD2-CD2 4.45Å; L442-L472 HydrophobicContact CB-CD2 3.85Å; Q443-L472 HydrophobicContact CG-CB 4.06Å; Q443-L472 HydrophobicContact CG-CD1 4.42Å; Q443-L472 PolarHBondContact NE2-O 3.26Å; F446-L472 HydrophobicContact CB-CD1 3.79Å; F446-L472 HydrophobicContact CD2-CD1 3.97Å; F446-L472 HydrophobicContact CG-CD1 3.9Å; L468-L472 HydrophobicContact CD1-CD1 4.25Å; L468-L472 HydrophobicContact CD1-CG 4.02Å; L468-L472 HydrophobicContact CG-CD1 4.11Å; L468-L472 HydrophobicContact CG-CG 4.37Å; L468-L472 WeakPolarHBondContact O-CG 3.48Å; L468-L472 PolarHBondContact O-N 3.1Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 2.74Å; L472-E476 WeakPolarHBondContact O-CB 3.47Å; L472-E476 PolarHBondContact O-N 2.95Å
473N98Very high98.1Very high31 Ų3115.5 Ų15.517%0.1668%0.076CC..Hα-helixtrans-67.7-43.2177.9-62.9-20.2000110.9L177 G469 H470 E476 C477 R515L177-N473 HydrophobicContact CD2-CB 4.31Å; G469-N473 PolarHBondContact O-N 3.18Å; G469-N473 PolarHBondContact O-ND2 3.46Å; H470-N473 PolarHBondContact O-N 3.36Å; H470-N473 VanDerWaalsContact O-N 3.15Å; N473-E476 WeakPolarHBondContact O-CB 3.23Å; N473-E476 PolarHBondContact O-N 2.86Å; N473-C477 PolarHBondContact O-N 3.29Å; N473-C477 VanDerWaalsContact O-N 3.11Å; N473-C477 PolarHBondContact O-SG 3.09Å; N473-C477 VanDerWaalsContact O-SG 3.36Å; N473-R515 PolarHBondContact OD1-NH1 2.86Å; N473-R515 PolarHBondContact OD1-NH2 3.24Å; N473-R515 VanDerWaalsContact OD1-NH2 3.08Å
474V98.5Very high98.2Very high0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-66.9-41.8178.8176.30000111.2A155 M173 L183 M186 H470 G471 E476 C477 M478A155-V474 HydrophobicContact CB-CG1 3.53Å; M173-V474 HydrophobicContact CB-CG2 3.83Å; M173-V474 HydrophobicContact SD-CG1 4.11Å; L183-V474 HydrophobicContact CD1-CG1 4.47Å; L183-V474 HydrophobicContact CD1-CG2 4.11Å; M186-V474 HydrophobicContact CE-CG1 3.65Å; H470-V474 WeakPolarHBondContact O-CG2 3.28Å; H470-V474 PolarHBondContact O-N 3.4Å; G471-V474 PolarHBondContact O-N 3.47Å; V474-E476 VanDerWaalsContact C-N 3.31Å; V474-E476 PolarHBondContact O-N 2.79Å; V474-C477 WeakPolarHBondContact O-CB 3.42Å; V474-C477 PolarHBondContact O-N 3.49Å; V474-M478 HydrophobicContact CG1-CE 4.02Å; V474-M478 WeakPolarHBondContact O-CG 3.15Å; V474-M478 PolarHBondContact O-N 3.42Å
475A98.6Very high98.3Very high0 Ų012 Ų120%07%0.067CC..Hα-helixtrans-61.1-39.8175.700000112V158 M415 M419 L439 G471 M478 A479V158-A475 HydrophobicContact CB-CB 4.22Å; V158-A475 HydrophobicContact CG1-CB 4.22Å; M415-A475 HydrophobicContact CG-CB 4.32Å; M415-A475 HydrophobicContact SD-CB 4.01Å; M419-A475 HydrophobicContact CE-CB 4.33Å; M419-A475 HydrophobicContact CG-CB 4.19Å; M419-A475 HydrophobicContact SD-CB 3.87Å; L439-A475 HydrophobicContact CD1-CB 4.13Å; L439-A475 HydrophobicContact CD2-CB 3.78Å; G471-A475 WeakPolarHBondContact O-CB 3.46Å; G471-A475 PolarHBondContact O-N 2.97Å; A475-M478 WeakPolarHBondContact O-CB 3.46Å; A475-M478 PolarHBondContact O-N 3.05Å; A475-A479 PolarHBondContact O-N 3.09Å
476E98.4Very high98.3Very high17 Ų1715.8 Ų15.88%0.0798%0.083CC..Hα-helixtrans-60.4-47.7173.9-172.2-177.9-161.100111.2Q443 L472 N473 V474 M478 A479 H480 R515 T521Q443-E476 PolarHBondContact NE2-OE2 2.89Å; L472-E476 WeakPolarHBondContact O-CB 3.47Å; L472-E476 PolarHBondContact O-N 2.95Å; N473-E476 WeakPolarHBondContact O-CB 3.23Å; N473-E476 PolarHBondContact O-N 2.86Å; V474-E476 VanDerWaalsContact C-N 3.31Å; V474-E476 PolarHBondContact O-N 2.79Å; E476-M478 VanDerWaalsContact C-N 3.32Å; E476-M478 PolarHBondContact O-N 3.49Å; E476-A479 PolarHBondContact O-N 3.41Å; E476-H480 WeakPolarHBondContact O-CB 3.48Å; E476-H480 PolarHBondContact O-CD2 3.45Å; E476-H480 VanDerWaalsContact O-CD2 3.27Å; E476-H480 PolarHBondContact O-N 3.38Å; E476-R515 IonicContact OE2-CZ 2.8Å; E476-R515 IonicContact OE2-NH1 3.39Å; E476-R515 PolarHBondContact OE2-NH1 3.03Å; E476-R515 IonicContact OE2-NH2 3.11Å; E476-T521 WeakPolarHBondContact CG-OG1 3.24Å
477C98.7Very high98.3Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-56.9-44.2174.3-63.50000112.2L183 M186 N473 V474 A479 S481 A513L183-C477 HydrophobicContact CD1-CB 4.33Å; M186-C477 HydrophobicContact CB-CB 4.45Å; M186-C477 HydrophobicContact CG-CB 4.23Å; N473-C477 PolarHBondContact O-N 3.29Å; N473-C477 VanDerWaalsContact O-N 3.11Å; N473-C477 PolarHBondContact O-SG 3.09Å; N473-C477 VanDerWaalsContact O-SG 3.36Å; V474-C477 WeakPolarHBondContact O-CB 3.42Å; V474-C477 PolarHBondContact O-N 3.49Å; C477-A479 PolarHBondContact O-N 2.98Å; C477-S481 VanDerWaalsContact O-CB 3.31Å; C477-S481 WeakPolarHBondContact O-CB 3.36Å; C477-S481 PolarHBondContact O-N 3.16Å; C477-S481 PolarHBondContact O-OG 3.35Å; C477-A513 HydrophobicContact CB-CB 3.81Å
478M98.7Very high98.3Very high2 Ų213.9 Ų13.91%0.017%0.074CC..Hα-helixtrans-59.3-47.3176.7-67.9-175.5176.500112.2A155 V158 Y159 M186 V189 T317 M419 V474 A475 E476 A482A155-M478 HydrophobicContact CB-CE 3.85Å; V158-M478 HydrophobicContact CG2-CE 4.14Å; V158-M478 HydrophobicContact CG2-SD 3.71Å; Y159-M478 HydrophobicContact CE2-SD 3.89Å; M186-M478 HydrophobicContact CB-CB 4.49Å; M186-M478 HydrophobicContact CB-CG 4.03Å; M186-M478 HydrophobicContact CE-CE 3.5Å; M186-M478 VanDerWaalsContact CE-CE 3.5Å; M186-M478 HydrophobicContact CE-CG 3.72Å; M186-M478 HydrophobicContact CE-SD 4.5Å; M186-M478 WeakPolarHBondContact O-CG 3.41Å; V189-M478 HydrophobicContact CG2-CE 4.13Å; V189-M478 HydrophobicContact CG2-SD 4.07Å; T317-M478 HydrophobicContact CG2-CE 3.82Å; M419-M478 HydrophobicContact CE-CB 3.74Å; M419-M478 HydrophobicContact CE-CG 4.37Å; M419-M478 HydrophobicContact CE-SD 3.78Å; V474-M478 HydrophobicContact CG1-CE 4.02Å; V474-M478 WeakPolarHBondContact O-CG 3.15Å; V474-M478 PolarHBondContact O-N 3.42Å; A475-M478 WeakPolarHBondContact O-CB 3.46Å; A475-M478 PolarHBondContact O-N 3.05Å; E476-M478 VanDerWaalsContact C-N 3.32Å; E476-M478 PolarHBondContact O-N 3.49Å; M478-A482 VanDerWaalsContact O-CB 3.23Å; M478-A482 WeakPolarHBondContact O-CB 3.24Å; M478-A482 PolarHBondContact O-N 2.92Å
479A98.7Very high98.2Very high0 Ų013.6 Ų13.60%07%0.073CC..Hα-helixtrans-69.2-42.6-176.300000112.2T435 I436 L439 A475 E476 C477 A482 M483T435-A479 HydrophobicContact CG2-CB 4.29Å; I436-A479 HydrophobicContact CG1-CB 3.75Å; L439-A479 HydrophobicContact CD1-CB 3.81Å; A475-A479 PolarHBondContact O-N 3.09Å; E476-A479 PolarHBondContact O-N 3.41Å; C477-A479 PolarHBondContact O-N 2.98Å; A479-A482 PolarHBondContact O-N 3.12Å; A479-M483 WeakPolarHBondContact O-CB 3.31Å; A479-M483 PolarHBondContact O-N 2.73Å
480H98.7Very high98.1Very high51 Ų5113 Ų1324%0.2367%0.067CC..Hα-helixtrans-65.1-46.2176.4-83.5-96.7000112I436 E476 A482 M483 A484 T521I436-H480 WeakPolarHBondContact CG2-NE2 3.4Å; E476-H480 WeakPolarHBondContact O-CB 3.48Å; E476-H480 PolarHBondContact O-CD2 3.45Å; E476-H480 VanDerWaalsContact O-CD2 3.27Å; E476-H480 PolarHBondContact O-N 3.38Å; H480-A482 VanDerWaalsContact C-N 3.31Å; H480-A482 PolarHBondContact O-N 2.96Å; H480-M483 PolarHBondContact O-N 2.89Å; H480-A484 WeakPolarHBondContact O-CB 3.43Å; H480-A484 PolarHBondContact O-N 3.49Å; H480-T521 HydrophobicContact CB-CG2 3.96Å
481S98.7Very high98.1Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-60.9-41.1175.8-63.50000111.7E187 C477 A484 R485 T511E187-S481 WeakPolarHBondContact OE2-CB 3.37Å; C477-S481 VanDerWaalsContact O-CB 3.31Å; C477-S481 WeakPolarHBondContact O-CB 3.36Å; C477-S481 PolarHBondContact O-N 3.16Å; C477-S481 PolarHBondContact O-OG 3.35Å; S481-A484 PolarHBondContact O-N 2.8Å; S481-R485 PolarHBondContact O-N 3.18Å; S481-T511 WeakPolarHBondContact OG-CG2 3.37Å
482A98.6Very high98Very high0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-63.8-41.8176.400000112.5E187 M432 M478 A479 H480 A484 H492 R494E187-A482 HydrophobicContact CB-CB 4.16Å; M432-A482 VanDerWaalsContact SD-C 3.58Å; M432-A482 HydrophobicContact SD-CB 3.8Å; M478-A482 VanDerWaalsContact O-CB 3.23Å; M478-A482 WeakPolarHBondContact O-CB 3.24Å; M478-A482 PolarHBondContact O-N 2.92Å; A479-A482 PolarHBondContact O-N 3.12Å; H480-A482 VanDerWaalsContact C-N 3.31Å; H480-A482 PolarHBondContact O-N 2.96Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 2.81Å; A482-H492 PolarHBondContact O-CE1 3.27Å; A482-H492 VanDerWaalsContact O-CE1 3.31Å; A482-R494 PolarHBondContact O-NH1 2.84Å
483M98.3Very high98Very high30 Ų3013 Ų1315%0.1487%0.068CC..Hα-helixtrans-63.7-41.2177.8177.158.783.500111.7P429 M432 Q433 I436 A479 H480 K486 R494P429-M483 WeakPolarHBondContact O-CE 3.5Å; M432-M483 HydrophobicContact CB-CE 3.67Å; M432-M483 HydrophobicContact CB-SD 4.5Å; Q433-M483 HydrophobicContact CB-CE 3.7Å; Q433-M483 VanDerWaalsContact N-CE 3.3Å; I436-M483 HydrophobicContact CD1-CB 3.79Å; I436-M483 HydrophobicContact CD1-CE 4.27Å; I436-M483 HydrophobicContact CD1-CG 4.15Å; A479-M483 WeakPolarHBondContact O-CB 3.31Å; A479-M483 PolarHBondContact O-N 2.73Å; H480-M483 PolarHBondContact O-N 2.89Å; M483-K486 WeakPolarHBondContact O-CE 3.42Å; M483-K486 PolarHBondContact O-NZ 3.42Å; M483-R494 PolarHBondContact O-NH1 3.45Å
484A98.1Very high98Very high26 Ų2611.7 Ų11.722%0.2156%0.06CC..Hα-helixtrans-75.9-35.1-174.500000114H480 S481 A482 K486 L523H480-A484 WeakPolarHBondContact O-CB 3.43Å; H480-A484 PolarHBondContact O-N 3.49Å; S481-A484 PolarHBondContact O-N 2.8Å; A482-A484 VanDerWaalsContact C-N 3.33Å; A482-A484 PolarHBondContact O-N 2.81Å; A484-K486 PolarHBondContact O-N 3.49Å; A484-L523 HydrophobicContact CB-CD1 3.32Å
485R98.3Very high97.9Very high0 Ų015.4 Ų15.40%08%0.08CC..  trans-70.3114.1173.9-175.7172.4-69.9-95.1-1.7110E187 F188 S481 E487 H492 R494 F507 K509 T511E187-R485 HydrophobicContact CG-CB 4.5Å; E187-R485 IonicContact OE1-CZ 3.79Å; E187-R485 VanDerWaalsContact OE1-CZ 3.26Å; E187-R485 IonicContact OE1-NE 3.72Å; E187-R485 PolarHBondContact OE1-NE 2.89Å; E187-R485 IonicContact OE1-NH2 2.74Å; E187-R485 PolarHBondContact OE1-NH2 3.42Å; F188-R485 VanDerWaalsContact CZ-CZ 3.49Å; F188-R485 VanDerWaalsContact CZ-NE 3.33Å; S481-R485 PolarHBondContact O-N 3.18Å; R485-E487 HydrophobicContact CG-CG 3.63Å; R485-E487 IonicContact CZ-OE1 3.71Å; R485-E487 IonicContact NH1-OE1 2.63Å; R485-E487 PolarHBondContact NH1-OE1 3.15Å; R485-H492 PolarHBondContact O-NE2 2.89Å; R485-R494 WeakPolarHBondContact O-CD 3.45Å; R485-R494 PolarHBondContact O-NH1 3.13Å; R485-F507 HydrophobicContact CB-CE1 4.49Å; R485-F507 HydrophobicContact CG-CD1 3.95Å; R485-F507 HydrophobicContact CG-CE1 4.34Å; R485-F507 HydrophobicContact CG-CG 4.42Å; R485-F507 PolarHBondContact NH1-O 3.32Å; R485-K509 PolarHBondContact NH2-O 3.3Å; R485-T511 PolarHBondContact NH2-OG1 2.76Å
486K97.9Very high97.8Very high79 Ų7916.9 Ų16.934%0.3439%0.088SC..  trans-105.455.1-177.4-59.2-54.7-167.4-170.40111.6M483 A484 R494 F507M483-K486 WeakPolarHBondContact O-CE 3.42Å; M483-K486 PolarHBondContact O-NZ 3.42Å; A484-K486 PolarHBondContact O-N 3.49Å; K486-R494 VanDerWaalsContact NZ-NH2 3.16Å; K486-F507 HydrophobicContact CB-CE2 3.72Å; K486-F507 HydrophobicContact CB-CZ 3.65Å; K486-F507 HydrophobicContact CG-CZ 4.2Å
487E97.6Very high97.5Very high0 Ų025.4 Ų25.40%013%0.127CC..SBendtrans-151.5179.2174.762.1159.3-176.700109.7R485 R489 H492 R494 C499 E501 D503 F507R485-E487 HydrophobicContact CG-CG 3.63Å; R485-E487 IonicContact CZ-OE1 3.71Å; R485-E487 IonicContact NH1-OE1 2.63Å; R485-E487 PolarHBondContact NH1-OE1 3.15Å; E487-R489 IonicContact OE1-CZ 3.31Å; E487-R489 IonicContact OE1-NE 3.46Å; E487-R489 PolarHBondContact OE1-NE 3.47Å; E487-R489 IonicContact OE1-NH2 3.8Å; E487-R489 IonicContact OE2-CZ 3.02Å; E487-R489 IonicContact OE2-NE 3.93Å; E487-R489 PolarHBondContact OE2-NE 2.95Å; E487-R489 IonicContact OE2-NH2 3.23Å; E487-R489 PolarHBondContact OE2-NH2 3.4Å; E487-H492 PolarHBondContact O-CD2 2.95Å; E487-H492 PolarHBondContact O-NE2 2.78Å; E487-R494 WeakPolarHBondContact O-CD 3.29Å; E487-C499 CarbonylContact C-O 2.99Å; E487-E501 WeakPolarHBondContact CB-O 3.43Å; E487-D503 HydrophobicContact CB-CB 4.02Å; E487-D503 PolarHBondContact OE2-N 3.4Å; E487-F507 HydrophobicContact CB-CB 4.45Å; E487-F507 HydrophobicContact CB-CD2 4.07Å; E487-F507 HydrophobicContact CB-CG 4.42Å; E487-F507 HydrophobicContact CG-CB 3.7Å; E487-F507 HydrophobicContact CG-CD2 4.05Å; E487-F507 HydrophobicContact CG-CG 3.89Å; E487-F507 WeakPolarHBondContact OE1-CB 3.44Å
488S97.7Very high97.4Very high7 Ų728.9 Ų28.95%0.04916%0.163CC..  trans-120.3118.9166.5-68.80000110.1H492 R494 C499 E501 R502S488-H492 CarbonylContact C-O 3.53Å; S488-H492 WeakPolarHBondContact CA-O 3.44Å; S488-R494 PolarHBondContact OG-N 3.44Å; S488-R494 PolarHBondContact OG-O 3.46Å; S488-C499 WeakPolarHBondContact CB-O 3.38Å; S488-C499 PolarHBondContact N-O 3.35Å; S488-C499 PolarHBondContact OG-O 3.48Å; S488-E501 PolarHBondContact N-O 3.24Å; S488-E501 CarbonylContact O-C 3.4Å; S488-R502 VanDerWaalsContact O-CA 3.28Å; S488-R502 WeakPolarHBondContact O-CA 3.48Å; S488-R502 PolarHBondContact O-N 3.34Å
489R96.7Very high97.3Very high0 Ų029.2 Ų29.20%017%0.166CC..BIsolated β-bridgetrans-146.2131.2-177-171.1-171.7-65.6-107-6.6110.2D34 F188 A348 E487 A491 H492 R502 D503 D504D34-R489 HydrophobicContact CB-CG 3.71Å; D34-R489 PolarHBondContact O-NH1 3.33Å; D34-R489 VanDerWaalsContact OD2-CG 3.28Å; D34-R489 WeakPolarHBondContact OD2-CG 3.49Å; F188-R489 HydrophobicContact CE1-CB 4.44Å; A348-R489 HydrophobicContact CB-CB 4.29Å; A348-R489 HydrophobicContact CB-CG 3.59Å; E487-R489 IonicContact OE1-CZ 3.31Å; E487-R489 IonicContact OE1-NE 3.46Å; E487-R489 PolarHBondContact OE1-NE 3.47Å; E487-R489 IonicContact OE1-NH2 3.8Å; E487-R489 IonicContact OE2-CZ 3.02Å; E487-R489 IonicContact OE2-NE 3.93Å; E487-R489 PolarHBondContact OE2-NE 2.95Å; E487-R489 IonicContact OE2-NH2 3.23Å; E487-R489 PolarHBondContact OE2-NH2 3.4Å; R489-A491 PolarHBondContact O-N 2.86Å; R489-A491 VanDerWaalsContact O-N 3.17Å; R489-H492 PolarHBondContact N-O 3.46Å; R489-H492 PolarHBondContact O-N 3.3Å; R489-H492 VanDerWaalsContact O-O 3.13Å; R489-R502 HydrophobicContact CB-CG 4.32Å; R489-R502 HydrophobicContact CG-CG 4.1Å; R489-R502 VanDerWaalsContact CZ-CG 3.45Å; R489-R502 VanDerWaalsContact NH2-CG 3.27Å; R489-D503 PolarHBondContact NH2-O 3.29Å; R489-D504 IonicContact CZ-OD1 3.65Å; R489-D504 IonicContact NH1-OD1 3.88Å; R489-D504 PolarHBondContact NH1-OD1 3.41Å; R489-D504 VanDerWaalsContact NH1-OD1 3.14Å; R489-D504 IonicContact NH2-OD1 3.27Å; R489-D504 PolarHBondContact NH2-OD1 2.88Å
490G95.8Very high97.2Very high0 Ų033 Ų330%019%0.189CC..THydrogen-bonded Turntrans47.8-121.1179.200000114D34 H492 Q493D34-G490 PolarHBondContact OD2-N 2.77Å; G490-H492 VanDerWaalsContact C-N 3.29Å; G490-H492 PolarHBondContact O-N 2.77Å; G490-Q493 PolarHBondContact O-NE2 3.3Å
491A96.7Very high97Very high9 Ų938 Ų387%0.07421%0.212CC..THydrogen-bonded Turntrans-78.8-6-179.300000114.9V189 M318 A348 R489V189-A491 WeakPolarHBondContact O-CB 3.5Å; M318-A491 HydrophobicContact CE-CB 3.44Å; M318-A491 VanDerWaalsContact CE-CB 3.44Å; A348-A491 PolarHBondContact O-N 2.9Å; R489-A491 PolarHBondContact O-N 2.86Å; R489-A491 VanDerWaalsContact O-N 3.17Å
492H97.9Very high96.8Very high0 Ų040.9 Ų40.90%022%0.223CC..BIsolated β-bridgetrans-98.3107174.4179.978000109.7F188 R427 A482 R485 E487 S488 R489 G490 R494F188-H492 HydrophobicContact CD1-CB 3.7Å; F188-H492 HydrophobicContact CE1-CB 3.56Å; R427-H492 PolarHBondContact NH1-ND1 3.03Å; A482-H492 PolarHBondContact O-CE1 3.27Å; A482-H492 VanDerWaalsContact O-CE1 3.31Å; R485-H492 PolarHBondContact O-NE2 2.89Å; E487-H492 PolarHBondContact O-CD2 2.95Å; E487-H492 PolarHBondContact O-NE2 2.78Å; S488-H492 CarbonylContact C-O 3.53Å; S488-H492 WeakPolarHBondContact CA-O 3.44Å; R489-H492 PolarHBondContact N-O 3.46Å; R489-H492 PolarHBondContact O-N 3.3Å; R489-H492 VanDerWaalsContact O-O 3.13Å; G490-H492 VanDerWaalsContact C-N 3.29Å; G490-H492 PolarHBondContact O-N 2.77Å; H492-R494 WeakPolarHBondContact NE2-CD 3.38Å; H492-R494 WeakPolarHBondContact NE2-CG 3.41Å
493Q97.5Very high96.7Very high22 Ų2243 Ų4310%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-122.7121.3-179.9-57.5-66.8-56.800110.9Q252 I425 Y426 R427 G490Q252-Q493 HydrophobicContact CG-CG 4.25Å; I425-Q493 WeakPolarHBondContact O-CB 3.29Å; Y426-Q493 CarbonylContact C-O 3.57Å; Y426-Q493 WeakPolarHBondContact CA-O 3.35Å; Y426-Q493 HydrophobicContact CD1-CB 3.6Å; Y426-Q493 HydrophobicContact CE1-CB 3.64Å; Y426-Q493 HydrophobicContact CE1-CG 4.3Å; Y426-Q493 HydrophobicContact CG-CB 4.4Å; R427-Q493 PolarHBondContact N-O 3.46Å; G490-Q493 PolarHBondContact O-NE2 3.3Å
494R97.8Very high96.6Very high3 Ų343.9 Ų43.91%0.01124%0.24CC..EExtended strand (participates in β ladder)trans-105.7144.8179.1-70.8-175.571.4114.65.9110.6R427 A482 M483 R485 K486 E487 S488 H492 D496 C499R427-R494 WeakPolarHBondContact O-CA 3.3Å; A482-R494 PolarHBondContact O-NH1 2.84Å; M483-R494 PolarHBondContact O-NH1 3.45Å; R485-R494 WeakPolarHBondContact O-CD 3.45Å; R485-R494 PolarHBondContact O-NH1 3.13Å; K486-R494 VanDerWaalsContact NZ-NH2 3.16Å; E487-R494 WeakPolarHBondContact O-CD 3.29Å; S488-R494 PolarHBondContact OG-N 3.44Å; S488-R494 PolarHBondContact OG-O 3.46Å; H492-R494 WeakPolarHBondContact NE2-CD 3.38Å; H492-R494 WeakPolarHBondContact NE2-CG 3.41Å; R494-D496 WeakPolarHBondContact CB-OD1 3.31Å; R494-D496 IonicContact CZ-OD1 2.65Å; R494-D496 IonicContact CZ-OD2 3.41Å; R494-D496 IonicContact NE-OD1 3.04Å; R494-D496 PolarHBondContact NE-OD1 2.77Å; R494-D496 IonicContact NE-OD2 3.54Å; R494-D496 PolarHBondContact NE-OD2 3.16Å; R494-D496 IonicContact NH2-OD1 3.74Å; R494-D496 PolarHBondContact NH2-OD1 3.24Å; R494-D496 IonicContact NH2-OD2 3.26Å; R494-D496 PolarHBondContact NH2-OD2 3.11Å; R494-C499 HydrophobicContact CB-CB 3.71Å; R494-C499 HydrophobicContact CG-CB 4.39Å
495L96.4Very high96.5Very high77 Ų7748.9 Ų48.940%0.40327%0.268SS..  trans-106.3-8178.4-64.5177.1000113.2W255 Y426 R427 T428W255-L495 HydrophobicContact CH2-CD1 4Å; W255-L495 HydrophobicContact CZ2-CD1 4.16Å; Y426-L495 HydrophobicContact CD1-CD1 4.31Å; Y426-L495 HydrophobicContact CD1-CD2 3.45Å; Y426-L495 VanDerWaalsContact CD1-CD2 3.45Å; Y426-L495 HydrophobicContact CD1-CG 3.79Å; Y426-L495 HydrophobicContact CE1-CD2 3.85Å; Y426-L495 HydrophobicContact CG-CD1 4.33Å; Y426-L495 HydrophobicContact CG-CD2 4.2Å; Y426-L495 HydrophobicContact CG-CG 4.28Å; R427-L495 PolarHBondContact O-N 3.33Å; T428-L495 HydrophobicContact CG2-CB 4.3Å; T428-L495 HydrophobicContact CG2-CD1 4.36Å
496D95.9Very high96.4Very high31 Ų3153.1 Ų53.117%0.16629%0.29CS..SBendtrans-74.1150.9177.350.7-56.2000112.9P429 R494 G498 C499P429-D496 HydrophobicContact CG-CB 3.7Å; P429-D496 WeakPolarHBondContact CG-OD2 3.17Å; R494-D496 WeakPolarHBondContact CB-OD1 3.31Å; R494-D496 IonicContact CZ-OD1 2.65Å; R494-D496 IonicContact CZ-OD2 3.41Å; R494-D496 IonicContact NE-OD1 3.04Å; R494-D496 PolarHBondContact NE-OD1 2.77Å; R494-D496 IonicContact NE-OD2 3.54Å; R494-D496 PolarHBondContact NE-OD2 3.16Å; R494-D496 IonicContact NH2-OD1 3.74Å; R494-D496 PolarHBondContact NH2-OD1 3.24Å; R494-D496 IonicContact NH2-OD2 3.26Å; R494-D496 PolarHBondContact NH2-OD2 3.11Å; D496-G498 PolarHBondContact O-N 2.86Å; D496-C499 WeakPolarHBondContact O-CB 3.44Å; D496-C499 PolarHBondContact O-N 3.45Å; D496-C499 VanDerWaalsContact O-N 3.08Å; D496-C499 PolarHBondContact OD2-SG 2.75Å
497E93.8Very high96.4Very high196 Ų19650.4 Ų50.492%0.91628%0.279SS*.THydrogen-bonded Turntrans-55.5135.4-176.1-172.4176-176.600111.7C499E497-C499 PolarHBondContact O-N 3.09Å
498G94.9Very high96.4Very high73 Ų7352.4 Ų52.475%0.75329%0.289SS*.THydrogen-bonded Turntrans76.7-7.2-177.800000115.2D496D496-G498 PolarHBondContact O-N 2.86Å
499C97.5Very high96.4Very high10 Ų1054.7 Ų54.77%0.06830%0.298CS..  trans-1104.4-178.8-61.30000113.7E487 S488 R494 D496 E497 E501E487-C499 CarbonylContact C-O 2.99Å; S488-C499 WeakPolarHBondContact CB-O 3.38Å; S488-C499 PolarHBondContact N-O 3.35Å; S488-C499 PolarHBondContact OG-O 3.48Å; R494-C499 HydrophobicContact CB-CB 3.71Å; R494-C499 HydrophobicContact CG-CB 4.39Å; D496-C499 WeakPolarHBondContact O-CB 3.44Å; D496-C499 PolarHBondContact O-N 3.45Å; D496-C499 VanDerWaalsContact O-N 3.08Å; D496-C499 PolarHBondContact OD2-SG 2.75Å; E497-C499 PolarHBondContact O-N 3.09Å; C499-E501 VanDerWaalsContact C-N 3.3Å; C499-E501 PolarHBondContact O-N 3.28Å
500T96.3Very high96.5Very high80 Ų8054.7 Ų54.749%0.49130%0.298SS..SBendtrans-81.2-8.1-173.757.10000114.3
501E94.4Very high96.7Very high154 Ų15454.7 Ų54.772%0.7230%0.298SS*.SBendtrans-121.6164.2-179.3-61.6-171.4168.500110.7E487 S488 C499E487-E501 WeakPolarHBondContact CB-O 3.43Å; S488-E501 PolarHBondContact N-O 3.24Å; S488-E501 CarbonylContact O-C 3.4Å; C499-E501 VanDerWaalsContact C-N 3.3Å; C499-E501 PolarHBondContact O-N 3.28Å
502R94.8Very high96.8Very high61 Ų6154.4 Ų54.423%0.2330%0.295CS..  trans-73.6134.2174.3-170.2-179.180-161.5-0.2109.5D34 S488 R489 D504 A536D34-R502 WeakPolarHBondContact OD1-CD 3.32Å; D34-R502 IonicContact OD1-CZ 2.86Å; D34-R502 IonicContact OD1-NE 3.85Å; D34-R502 IonicContact OD1-NH1 3.46Å; D34-R502 PolarHBondContact OD1-NH1 3.46Å; S488-R502 VanDerWaalsContact O-CA 3.28Å; S488-R502 WeakPolarHBondContact O-CA 3.48Å; S488-R502 PolarHBondContact O-N 3.34Å; R489-R502 HydrophobicContact CB-CG 4.32Å; R489-R502 HydrophobicContact CG-CG 4.1Å; R489-R502 VanDerWaalsContact CZ-CG 3.45Å; R489-R502 VanDerWaalsContact NH2-CG 3.27Å; R502-D504 WeakPolarHBondContact CD-OD1 3.39Å; R502-D504 IonicContact CZ-OD1 3.95Å; R502-D504 IonicContact CZ-OD2 2.92Å; R502-D504 VanDerWaalsContact CZ-OD2 3.24Å; R502-D504 VanDerWaalsContact NE-CG 3.34Å; R502-D504 IonicContact NE-OD1 2.63Å; R502-D504 PolarHBondContact NE-OD1 2.94Å; R502-D504 IonicContact NE-OD2 3.27Å; R502-D504 PolarHBondContact NE-OD2 2.91Å; R502-D504 IonicContact NH2-OD1 2.65Å; R502-D504 IonicContact NH2-OD2 3.26Å; R502-D504 PolarHBondContact NH2-OD2 3.27Å; R502-A536 VanDerWaalsContact CZ-O 3.29Å; R502-A536 PolarHBondContact NH1-O 2.72Å; R502-A536 PolarHBondContact NH2-O 2.83Å
503D96.3Very high96.8Very high44 Ų4454.4 Ų54.424%0.23530%0.295CS..  trans-117.593.8178-179.3-5.4000110.1E487 R489 V505 N506 F507E487-D503 HydrophobicContact CB-CB 4.02Å; E487-D503 PolarHBondContact OE2-N 3.4Å; R489-D503 PolarHBondContact NH2-O 3.29Å; D503-V505 PolarHBondContact O-N 3.08Å; D503-V505 WeakPolarHBondContact OD1-CB 3.2Å; D503-V505 PolarHBondContact OD1-N 3.37Å; D503-N506 PolarHBondContact OD1-N 3.5Å; D503-N506 WeakPolarHBondContact OD2-CB 3.4Å; D503-N506 PolarHBondContact OD2-ND2 2.91Å; D503-F507 HydrophobicContact CB-CD2 4.15Å; D503-F507 WeakPolarHBondContact O-CA 3.15Å; D503-F507 WeakPolarHBondContact O-CB 3.3Å; D503-F507 PolarHBondContact O-N 3.19Å
504D96.1Very high96.8Very high50 Ų5054.2 Ų54.227%0.26729%0.294SS..THydrogen-bonded Turntrans-74.5-11.8178.9-65.7-36.1000113.5R489 R502 L508 P535R489-D504 IonicContact CZ-OD1 3.65Å; R489-D504 IonicContact NH1-OD1 3.88Å; R489-D504 PolarHBondContact NH1-OD1 3.41Å; R489-D504 VanDerWaalsContact NH1-OD1 3.14Å; R489-D504 IonicContact NH2-OD1 3.27Å; R489-D504 PolarHBondContact NH2-OD1 2.88Å; R502-D504 WeakPolarHBondContact CD-OD1 3.39Å; R502-D504 IonicContact CZ-OD1 3.95Å; R502-D504 IonicContact CZ-OD2 2.92Å; R502-D504 VanDerWaalsContact CZ-OD2 3.24Å; R502-D504 VanDerWaalsContact NE-CG 3.34Å; R502-D504 IonicContact NE-OD1 2.63Å; R502-D504 PolarHBondContact NE-OD1 2.94Å; R502-D504 IonicContact NE-OD2 3.27Å; R502-D504 PolarHBondContact NE-OD2 2.91Å; R502-D504 IonicContact NH2-OD1 2.65Å; R502-D504 IonicContact NH2-OD2 3.26Å; R502-D504 PolarHBondContact NH2-OD2 3.27Å; D504-L508 HydrophobicContact CB-CB 4.49Å; D504-L508 VanDerWaalsContact O-CB 3.24Å; D504-L508 WeakPolarHBondContact O-CB 3.35Å; D504-P535 WeakPolarHBondContact OD2-CB 3.24Å
505V96Very high96.8Very high131 Ų13156.8 Ų56.879%0.79430%0.304SS*.THydrogen-bonded Turntrans-81.2-47178.2177.30000110D503D503-V505 PolarHBondContact O-N 3.08Å; D503-V505 WeakPolarHBondContact OD1-CB 3.2Å; D503-V505 PolarHBondContact OD1-N 3.37Å
506N97Very high96.7Very high89 Ų8955.6 Ų55.648%0.47630%0.298SS..THydrogen-bonded Turntrans-100.3-23.7-173.9-59.2-65000113.6D503 K509D503-N506 PolarHBondContact OD1-N 3.5Å; D503-N506 WeakPolarHBondContact OD2-CB 3.4Å; D503-N506 PolarHBondContact OD2-ND2 2.91Å; N506-K509 WeakPolarHBondContact O-CD 3.27Å; N506-K509 WeakPolarHBondContact O-CE 3.44Å; N506-K509 PolarHBondContact O-NZ 3.02Å
507F97.5Very high96.3Very high22 Ų2259.8 Ų59.810%0.09634%0.337CS..  trans-127.812.9-168.4-69.9-75.1000115R485 K486 E487 D503 K509R485-F507 HydrophobicContact CB-CE1 4.49Å; R485-F507 HydrophobicContact CG-CD1 3.95Å; R485-F507 HydrophobicContact CG-CE1 4.34Å; R485-F507 HydrophobicContact CG-CG 4.42Å; R485-F507 PolarHBondContact NH1-O 3.32Å; K486-F507 HydrophobicContact CB-CE2 3.72Å; K486-F507 HydrophobicContact CB-CZ 3.65Å; K486-F507 HydrophobicContact CG-CZ 4.2Å; E487-F507 HydrophobicContact CB-CB 4.45Å; E487-F507 HydrophobicContact CB-CD2 4.07Å; E487-F507 HydrophobicContact CB-CG 4.42Å; E487-F507 HydrophobicContact CG-CB 3.7Å; E487-F507 HydrophobicContact CG-CD2 4.05Å; E487-F507 HydrophobicContact CG-CG 3.89Å; E487-F507 WeakPolarHBondContact OE1-CB 3.44Å; D503-F507 HydrophobicContact CB-CD2 4.15Å; D503-F507 WeakPolarHBondContact O-CA 3.15Å; D503-F507 WeakPolarHBondContact O-CB 3.3Å; D503-F507 PolarHBondContact O-N 3.19Å; F507-K509 PolarHBondContact O-N 3.35Å
508L97.4Very high96.1Very high41 Ų4156.3 Ų56.322%0.21532%0.324CS..SBendtrans-75.159.9163.2-168.166.5000111.1D504 I530 P535D504-L508 HydrophobicContact CB-CB 4.49Å; D504-L508 VanDerWaalsContact O-CB 3.24Å; D504-L508 WeakPolarHBondContact O-CB 3.35Å; L508-I530 HydrophobicContact CD1-CD1 4.26Å; L508-I530 HydrophobicContact CD2-CD1 3.67Å; L508-I530 HydrophobicContact CG-CD1 4.21Å; L508-P535 HydrophobicContact CD1-CG 4.11Å; L508-P535 HydrophobicContact CD2-CG 3.61Å
509K98.2Very high95.8Very high55 Ų5553.8 Ų53.824%0.23930%0.299CS..EExtended strand (participates in β ladder)trans-153.5153.9-176.964.1-164.5-179.1-164.40109.7R485 N506 F507 Y525 S526R485-K509 PolarHBondContact NH2-O 3.3Å; N506-K509 WeakPolarHBondContact O-CD 3.27Å; N506-K509 WeakPolarHBondContact O-CE 3.44Å; N506-K509 PolarHBondContact O-NZ 3.02Å; F507-K509 PolarHBondContact O-N 3.35Å; K509-Y525 HydrophobicContact CD-CD1 3.89Å; K509-Y525 HydrophobicContact CD-CG 3.9Å; K509-Y525 HydrophobicContact CG-CD1 3.91Å; K509-Y525 HydrophobicContact CG-CG 4.31Å; K509-S526 CarbonylContact C-O 3.23Å; K509-S526 WeakPolarHBondContact CA-O 3.42Å; K509-S526 VanDerWaalsContact CB-O 3.31Å; K509-S526 WeakPolarHBondContact CB-O 3.38Å
510H98.7Very high95.5Very high0 Ų056.4 Ų56.40%032%0.315CS..EExtended strand (participates in β ladder)trans-78.9146.6172-65-75000110.6L36 E38 R184 D185 Y525 S526L36-H510 WeakPolarHBondContact CD2-CE1 3.44Å; L36-H510 WeakPolarHBondContact CD2-ND1 3.32Å; L36-H510 PolarHBondContact O-CE1 3.34Å; E38-H510 IonicContact OE1-CD2 2.75Å; E38-H510 PolarHBondContact OE1-CD2 3.43Å; E38-H510 IonicContact OE1-NE2 3.51Å; E38-H510 PolarHBondContact OE1-NE2 3.01Å; E38-H510 VanDerWaalsContact OE1-NE2 3.1Å; R184-H510 HydrophobicContact CG-CB 3.85Å; D185-H510 VanDerWaalsContact OD1-CA 3.29Å; D185-H510 WeakPolarHBondContact OD1-CA 3.18Å; D185-H510 IonicContact OD1-CG 3.94Å; D185-H510 IonicContact OD1-ND1 2.76Å; D185-H510 PolarHBondContact OD1-ND1 2.71Å; D185-H510 IonicContact OD2-CE1 2.65Å; D185-H510 PolarHBondContact OD2-CE1 3.08Å; D185-H510 IonicContact OD2-CG 3.24Å; D185-H510 IonicContact OD2-ND1 3.95Å; D185-H510 PolarHBondContact OD2-ND1 2.82Å; H510-Y525 WeakPolarHBondContact O-CA 3.39Å; H510-S526 WeakPolarHBondContact CB-OG 3.44Å; H510-S526 PolarHBondContact N-O 3.19Å; H510-S526 PolarHBondContact O-N 2.97Å; H510-S526 VanDerWaalsContact O-N 3.16Å
511T98.7Very high95.6Very high0 Ų053.4 Ų53.40%030%0.296CS..EExtended strand (participates in β ladder)trans-97.3127.6172-53.70000108.9R184 D185 E187 S481 R485 L523 Y525R184-T511 CarbonylContact C-O 3.59Å; R184-T511 VanDerWaalsContact CA-O 3.23Å; R184-T511 WeakPolarHBondContact CA-O 3.32Å; D185-T511 PolarHBondContact N-O 3.22Å; D185-T511 PolarHBondContact OD1-N 3.38Å; E187-T511 WeakPolarHBondContact OE1-CB 3.34Å; E187-T511 PolarHBondContact OE1-OG1 3.07Å; S481-T511 WeakPolarHBondContact OG-CG2 3.37Å; R485-T511 PolarHBondContact NH2-OG1 2.76Å; T511-L523 HydrophobicContact CG2-CD1 4.31Å; T511-L523 HydrophobicContact CG2-CD2 4.22Å; T511-Y525 HydrophobicContact CG2-CE1 4.22Å
512L98.8Very high95.7Very high3 Ų350.5 Ų50.52%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-113.1111.2178.9-59.5177.8000110P182 R184 E322 F514 L523 E524P182-L512 HydrophobicContact CB-CB 4.1Å; P182-L512 HydrophobicContact CG-CD2 4.42Å; R184-L512 HydrophobicContact CB-CD2 3.79Å; R184-L512 HydrophobicContact CG-CD2 3.67Å; E322-L512 HydrophobicContact CG-CD2 4.35Å; L512-F514 HydrophobicContact CB-CE2 3.89Å; L512-L523 CarbonylContact O-C 3.6Å; L512-L523 WeakPolarHBondContact O-CA 3.2Å; L512-E524 HydrophobicContact CB-CB 4.3Å; L512-E524 PolarHBondContact N-O 2.79Å; L512-E524 PolarHBondContact O-N 3.48Å
513A98.8Very high95.9Very high0 Ų049.7 Ų49.70%028%0.279CS..EExtended strand (participates in β ladder)trans-94.3119.5177.500000111P182 L183 C477 T521 L523P182-A513 CarbonylContact C-O 3.51Å; P182-A513 VanDerWaalsContact CA-O 3.24Å; P182-A513 WeakPolarHBondContact CA-O 3.49Å; L183-A513 PolarHBondContact N-O 2.87Å; L183-A513 PolarHBondContact O-N 3.11Å; C477-A513 HydrophobicContact CB-CB 3.81Å; A513-T521 HydrophobicContact CB-CG2 4.13Å; A513-L523 HydrophobicContact CB-CD2 3.69Å
514F98.6Very high96Very high18 Ų1851.3 Ų51.38%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-105.1152.1172.3-65.5-93.8000110P182 L512 T521 R522 E524P182-F514 HydrophobicContact CB-CD1 3.92Å; P182-F514 HydrophobicContact CB-CD2 4.08Å; P182-F514 HydrophobicContact CB-CE1 3.62Å; P182-F514 HydrophobicContact CB-CE2 3.79Å; P182-F514 HydrophobicContact CB-CG 4.15Å; P182-F514 HydrophobicContact CB-CZ 3.55Å; P182-F514 HydrophobicContact CG-CD1 4.43Å; P182-F514 HydrophobicContact CG-CE1 3.68Å; P182-F514 HydrophobicContact CG-CE2 4.23Å; P182-F514 HydrophobicContact CG-CZ 3.56Å; L512-F514 HydrophobicContact CB-CE2 3.89Å; F514-T521 WeakPolarHBondContact O-CA 3.31Å; F514-R522 PolarHBondContact N-O 3.25Å; F514-R522 PolarHBondContact O-N 3.27Å; F514-E524 HydrophobicContact CD2-CG 4.15Å; F514-E524 HydrophobicContact CE2-CB 3.99Å; F514-E524 HydrophobicContact CE2-CG 3.83Å
515R96.2Very high96.1Very high57 Ų5753.4 Ų53.422%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-105.3114.8167.9-168.6172.2-169.480.92.9108.6L177 N473 E476 G519L177-R515 HydrophobicContact CD1-CB 3.86Å; L177-R515 HydrophobicContact CD2-CB 4.09Å; L177-R515 HydrophobicContact CG-CB 3.73Å; N473-R515 PolarHBondContact OD1-NH1 2.86Å; N473-R515 PolarHBondContact OD1-NH2 3.24Å; N473-R515 VanDerWaalsContact OD1-NH2 3.08Å; E476-R515 IonicContact OE2-CZ 2.8Å; E476-R515 IonicContact OE2-NH1 3.39Å; E476-R515 PolarHBondContact OE2-NH1 3.03Å; E476-R515 IonicContact OE2-NH2 3.11Å; R515-G519 VanDerWaalsContact CZ-O 3.24Å; R515-G519 PolarHBondContact NH1-O 2.94Å; R515-G519 PolarHBondContact NH2-O 3.46Å
516D94Very high96.2Very high52 Ų5248.9 Ų48.928%0.27826%0.264SS..  trans-79.2165.2176.9-71.7-25.7000110.4D518 G519 T520 R522D516-D518 PolarHBondContact O-N 2.86Å; D516-G519 PolarHBondContact O-N 2.71Å; D516-T520 PolarHBondContact N-O 3.05Å; D516-R522 IonicContact OD1-CZ 2.71Å; D516-R522 IonicContact OD1-NE 2.73Å; D516-R522 PolarHBondContact OD1-NE 2.94Å; D516-R522 IonicContact OD1-NH2 3.12Å; D516-R522 PolarHBondContact OD1-NH2 3.15Å; D516-R522 VanDerWaalsContact OD1-NH2 3.16Å; D516-R522 VanDerWaalsContact OD2-CB 3.31Å; D516-R522 WeakPolarHBondContact OD2-CB 3.39Å; D516-R522 WeakPolarHBondContact OD2-CD 3.29Å; D516-R522 IonicContact OD2-NE 2.83Å; D516-R522 PolarHBondContact OD2-NE 2.86Å
517A89.2Confident96.2Very high119 Ų11951.4 Ų51.498%0.98328%0.277SS*.THydrogen-bonded Turntrans-64.6-21.4-172.800000114.3G519A517-G519 PolarHBondContact O-N 3.34Å
518D89.1Confident96.3Very high123 Ų12351.1 Ų51.166%0.65828%0.277SS*.THydrogen-bonded Turntrans-81.3-1.317467.6-2000113.3D516 T520D516-D518 PolarHBondContact O-N 2.86Å; D518-T520 WeakPolarHBondContact OD1-CB 3.36Å; D518-T520 WeakPolarHBondContact OD1-CG2 2.89Å; D518-T520 PolarHBondContact OD1-N 3.42Å; D518-T520 PolarHBondContact OD1-OG1 3.11Å; D518-T520 PolarHBondContact OD2-OG1 3.42Å
519G88.1Confident96.3Very high21 Ų2153.9 Ų53.922%0.21629%0.288CS..SBendtrans90.6-4.2-179.600000114.1R515 D516 A517R515-G519 VanDerWaalsContact CZ-O 3.24Å; R515-G519 PolarHBondContact NH1-O 2.94Å; R515-G519 PolarHBondContact NH2-O 3.46Å; D516-G519 PolarHBondContact O-N 2.71Å; A517-G519 PolarHBondContact O-N 3.34Å
520T91.9Very high96.3Very high65 Ų6554.2 Ų54.240%0.39929%0.291SS..  trans-76.2152.4179.963.90000112.4D516 D518D516-T520 PolarHBondContact N-O 3.05Å; D518-T520 WeakPolarHBondContact OD1-CB 3.36Å; D518-T520 WeakPolarHBondContact OD1-CG2 2.89Å; D518-T520 PolarHBondContact OD1-N 3.42Å; D518-T520 PolarHBondContact OD1-OG1 3.11Å; D518-T520 PolarHBondContact OD2-OG1 3.42Å
521T97.4Very high96.2Very high16 Ų1657.7 Ų57.710%0.09831%0.312CS..EExtended strand (participates in β ladder)trans-91.5120.3173.4-64.20000110.9E476 H480 A513 F514 L523E476-T521 WeakPolarHBondContact CG-OG1 3.24Å; H480-T521 HydrophobicContact CB-CG2 3.96Å; A513-T521 HydrophobicContact CB-CG2 4.13Å; F514-T521 WeakPolarHBondContact O-CA 3.31Å; T521-L523 HydrophobicContact CG2-CD2 3.98Å
522R97.8Very high96Very high94 Ų9462.7 Ų62.736%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-108.2137.9173.8-179.9172.555.774.76.7110.1F514 D516 E524F514-R522 PolarHBondContact N-O 3.25Å; F514-R522 PolarHBondContact O-N 3.27Å; D516-R522 IonicContact OD1-CZ 2.71Å; D516-R522 IonicContact OD1-NE 2.73Å; D516-R522 PolarHBondContact OD1-NE 2.94Å; D516-R522 IonicContact OD1-NH2 3.12Å; D516-R522 PolarHBondContact OD1-NH2 3.15Å; D516-R522 VanDerWaalsContact OD1-NH2 3.16Å; D516-R522 VanDerWaalsContact OD2-CB 3.31Å; D516-R522 WeakPolarHBondContact OD2-CB 3.39Å; D516-R522 WeakPolarHBondContact OD2-CD 3.29Å; D516-R522 IonicContact OD2-NE 2.83Å; D516-R522 PolarHBondContact OD2-NE 2.86Å; R522-E524 IonicContact CZ-OE1 2.66Å; R522-E524 IonicContact NH1-OE1 2.91Å; R522-E524 PolarHBondContact NH1-OE1 2.78Å
523L98.6Very high95.7Very high44 Ų4464.3 Ų64.323%0.2335%0.352CS..EExtended strand (participates in β ladder)trans-107.7134.9-179.4-56.3-177.6000111.1A484 T511 L512 A513 T521A484-L523 HydrophobicContact CB-CD1 3.32Å; T511-L523 HydrophobicContact CG2-CD1 4.31Å; T511-L523 HydrophobicContact CG2-CD2 4.22Å; L512-L523 CarbonylContact O-C 3.6Å; L512-L523 WeakPolarHBondContact O-CA 3.2Å; A513-L523 HydrophobicContact CB-CD2 3.69Å; T521-L523 HydrophobicContact CG2-CD2 3.98Å
524E98.5Very high95.5Very high78 Ų7868.3 Ų68.336%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-119.3176.7162.8-60.4-177.7-173.700109.5L512 F514 R522L512-E524 HydrophobicContact CB-CB 4.3Å; L512-E524 PolarHBondContact N-O 2.79Å; L512-E524 PolarHBondContact O-N 3.48Å; F514-E524 HydrophobicContact CD2-CG 4.15Å; F514-E524 HydrophobicContact CE2-CB 3.99Å; F514-E524 HydrophobicContact CE2-CG 3.83Å; R522-E524 IonicContact CZ-OE1 2.66Å; R522-E524 IonicContact NH1-OE1 2.91Å; R522-E524 PolarHBondContact NH1-OE1 2.78Å
525Y98.5Very high95.3Very high93 Ų9369.6 Ų69.637%0.36539%0.388SS..EExtended strand (participates in β ladder)trans-135149177.1-56.4-85000110.5K509 H510 T511K509-Y525 HydrophobicContact CD-CD1 3.89Å; K509-Y525 HydrophobicContact CD-CG 3.9Å; K509-Y525 HydrophobicContact CG-CD1 3.91Å; K509-Y525 HydrophobicContact CG-CG 4.31Å; H510-Y525 WeakPolarHBondContact O-CA 3.39Å; T511-Y525 HydrophobicContact CG2-CE1 4.22Å
526S97.8Very high95.1Very high37 Ų3769.1 Ų69.126%0.25940%0.396SS..EExtended strand (participates in β ladder)trans-130.1151.5171650000111K509 H510K509-S526 CarbonylContact C-O 3.23Å; K509-S526 WeakPolarHBondContact CA-O 3.42Å; K509-S526 VanDerWaalsContact CB-O 3.31Å; K509-S526 WeakPolarHBondContact CB-O 3.38Å; H510-S526 WeakPolarHBondContact CB-OG 3.44Å; H510-S526 PolarHBondContact N-O 3.19Å; H510-S526 PolarHBondContact O-N 2.97Å; H510-S526 VanDerWaalsContact O-N 3.16Å
527D97.3Very high94.7Very high141 Ų14173.6 Ų73.675%0.75441%0.413SS*.EExtended strand (participates in β ladder)trans-68151.7-179.7-62-33.9000111.6
528V97.9Very high94.5Very high16 Ų1669.4 Ų69.410%0.09737%0.372CS..  trans-87.6131.9170.5-172.50000109.2L36 C37 I530L36-V528 HydrophobicContact CD2-CG2 3.71Å; L36-V528 HydrophobicContact CG-CG2 4.15Å; C37-V528 WeakPolarHBondContact O-CG1 3.47Å; V528-I530 HydrophobicContact CG1-CG1 4.31Å; V528-I530 PolarHBondContact O-N 3.25Å
529K97.9Very high94.2Very high100 Ų10065 Ų6544%0.43535%0.35SS..  trans-81.299.5176.8-164.5169.7176.3-173.80111.5E38 Q39 D40 T531E38-K529 WeakPolarHBondContact OE2-CA 3.31Å; E38-K529 WeakPolarHBondContact OE2-CB 3.28Å; E38-K529 PolarHBondContact OE2-N 2.98Å; Q39-K529 WeakPolarHBondContact CB-O 3.33Å; Q39-K529 PolarHBondContact N-O 2.78Å; D40-K529 WeakPolarHBondContact OD2-CD 3.48Å; D40-K529 VanDerWaalsContact OD2-CE 3.22Å; D40-K529 WeakPolarHBondContact OD2-CE 3.34Å; D40-K529 IonicContact OD2-NZ 3.34Å; D40-K529 PolarHBondContact OD2-NZ 2.98Å; K529-T531 HydrophobicContact CG-CG2 4.23Å
530I97.6Very high94.1Very high61 Ų6164.9 Ų64.931%0.31334%0.342SS..  trans-97.6113.4176-61.7-177.2000109.4L508 V528 P535L508-I530 HydrophobicContact CD1-CD1 4.26Å; L508-I530 HydrophobicContact CD2-CD1 3.67Å; L508-I530 HydrophobicContact CG-CD1 4.21Å; V528-I530 HydrophobicContact CG1-CG1 4.31Å; V528-I530 PolarHBondContact O-N 3.25Å; I530-P535 HydrophobicContact CD1-CG 4.07Å
531T97.3Very high93.6Very high73 Ų7361.8 Ų61.845%0.44832%0.323SS..SBendtrans-106.2-33.7-175.856.30000113.4Q39 D40 K529Q39-T531 HydrophobicContact CB-CG2 4.43Å; Q39-T531 WeakPolarHBondContact CB-OG1 3.11Å; D40-T531 HydrophobicContact CB-CG2 4.38Å; K529-T531 HydrophobicContact CG-CG2 4.23Å
532T93.8Very high92.4Very high105 Ų10562.5 Ų62.564%0.64433%0.334SS*.SBendtrans-134.9-49.1-168-54.10000113P534T532-P534 WeakPolarHBondContact O-CD 3.24Å
533L94.2Very high91.6Very high38 Ų3862.4 Ų62.420%0.19934%0.338CS..  trans-107.5103-171.6-167.970.2000110.8F26 V30 W35 Q39F26-L533 HydrophobicContact CE1-CB 4.05Å; V30-L533 HydrophobicContact CB-CD2 4.08Å; V30-L533 HydrophobicContact CG1-CB 4.38Å; V30-L533 HydrophobicContact CG1-CD2 3.92Å; W35-L533 VanDerWaalsContact CD1-O 3.3Å; W35-L533 HydrophobicContact CZ2-CD2 4.47Å; Q39-L533 PolarHBondContact NE2-O 3.32Å
534P94.5Very high90.6Very high84 Ų8460.7 Ų60.755%0.54533%0.33SS..  trans-68.2159177.929.8-35.5000111.6W35 T532 A536W35-P534 PolarHBondContact NE1-O 3.01Å; T532-P534 WeakPolarHBondContact O-CD 3.24Å; P534-A536 PolarHBondContact O-N 2.82Å
535P93.7Very high89.6Confident44 Ų4459.5 Ų59.529%0.28633%0.326SS..  trans-53131.5177.4-24.934.5000112.2W35 D504 L508 I530W35-P535 HydrophobicContact CB-CB 4.35Å; W35-P535 HydrophobicContact CB-CG 4.35Å; W35-P535 VanDerWaalsContact CD1-CA 3.48Å; W35-P535 HydrophobicContact CG-CB 4.29Å; D504-P535 WeakPolarHBondContact OD2-CB 3.24Å; L508-P535 HydrophobicContact CD1-CG 4.11Å; L508-P535 HydrophobicContact CD2-CG 3.61Å; I530-P535 HydrophobicContact CD1-CG 4.07Å
536A91.6Very high88.5Confident47 Ų4757.9 Ų57.939%0.38833%0.332SS..  trans-137.7171.3177.600000110.7W35 R502 P534 R538W35-A536 HydrophobicContact CH2-CB 4.03Å; W35-A536 WeakPolarHBondContact CH2-O 3.44Å; W35-A536 HydrophobicContact CZ2-CB 3.61Å; W35-A536 WeakPolarHBondContact CZ3-O 3.47Å; R502-A536 VanDerWaalsContact CZ-O 3.29Å; R502-A536 PolarHBondContact NH1-O 2.72Å; R502-A536 PolarHBondContact NH2-O 2.83Å; P534-A536 PolarHBondContact O-N 2.82Å; A536-R538 PolarHBondContact O-N 3.14Å
537K85.7Confident87.5Confident146 Ų14658 Ų5864%0.63534%0.336SS*.  trans-67.6131.2175.8-169.9-179-178-172.90109.6V539 E543K537-V539 HydrophobicContact CB-CG1 4.35Å; K537-V539 HydrophobicContact CD-CG1 4.04Å; K537-V539 HydrophobicContact CG-CG1 3.99Å; K537-V539 PolarHBondContact O-N 3.09Å; K537-E543 WeakPolarHBondContact CE-OE1 3.33Å; K537-E543 IonicContact NZ-OE1 3.65Å; K537-E543 PolarHBondContact NZ-OE1 2.92Å; K537-E543 IonicContact NZ-OE2 3.84Å
538R85.6Confident86.5Confident31 Ų3154.8 Ų54.812%0.11732%0.318CS..  trans-81.3108.6175.6-160.5174.8162.6-153.5-6.7109.8A31 W35 D248 N349 A536 Y540A31-R538 WeakPolarHBondContact O-CD 3.17Å; A31-R538 PolarHBondContact O-NE 2.78Å; W35-R538 HydrophobicContact CZ3-CB 4.06Å; W35-R538 HydrophobicContact CZ3-CG 4.42Å; D248-R538 IonicContact OD1-CZ 2.8Å; D248-R538 IonicContact OD1-NH1 3.49Å; D248-R538 IonicContact OD1-NH2 2.81Å; D248-R538 PolarHBondContact OD1-NH2 2.81Å; D248-R538 IonicContact OD2-CZ 3.16Å; D248-R538 IonicContact OD2-NH1 2.8Å; D248-R538 PolarHBondContact OD2-NH1 3.24Å; D248-R538 IonicContact OD2-NH2 3.86Å; D248-R538 PolarHBondContact OD2-NH2 3.34Å; N349-R538 PolarHBondContact ND2-NH2 3.48Å; A536-R538 PolarHBondContact O-N 3.14Å; R538-Y540 HydrophobicContact CG-CE2 3.72Å; R538-Y540 PolarHBondContact NE-OH 3.39Å; R538-Y540 PolarHBondContact NH2-OH 3.02Å
539V83.5Confident85.5Confident32 Ų3261.2 Ų61.219%0.19435%0.345CS..  trans-117.6145.3-173.1-64.50000112.6K537 E543 A544 A547K537-V539 HydrophobicContact CB-CG1 4.35Å; K537-V539 HydrophobicContact CD-CG1 4.04Å; K537-V539 HydrophobicContact CG-CG1 3.99Å; K537-V539 PolarHBondContact O-N 3.09Å; V539-E543 HydrophobicContact CB-CB 4.35Å; V539-E543 HydrophobicContact CB-CG 4.08Å; V539-E543 HydrophobicContact CG1-CG 3.79Å; V539-A544 HydrophobicContact CB-CB 4.5Å; V539-A544 HydrophobicContact CG2-CB 4.1Å; V539-A547 HydrophobicContact CG2-CB 4.01Å
540Y84Confident84.4Confident17 Ų1758.9 Ų58.97%0.06734%0.344CS..  trans-140.4167.4-179.1-64.9-71.3000110.9K240 P246 R538 E543 A544K240-Y540 HydrophobicContact CB-CD1 4.08Å; K240-Y540 HydrophobicContact CG-CD1 4.28Å; P246-Y540 HydrophobicContact CG-CD2 4.28Å; P246-Y540 HydrophobicContact CG-CE1 4.09Å; P246-Y540 HydrophobicContact CG-CE2 3.57Å; P246-Y540 VanDerWaalsContact CG-CZ 3.48Å; R538-Y540 HydrophobicContact CG-CE2 3.72Å; R538-Y540 PolarHBondContact NE-OH 3.39Å; R538-Y540 PolarHBondContact NH2-OH 3.02Å; Y540-E543 PolarHBondContact O-N 3.2Å; Y540-A544 PolarHBondContact O-N 3.49Å
541G82Confident83.1Confident0 Ų060.5 Ų60.50%035%0.35CS..Hα-helixtrans58.3-140.6177.900000113.2G229 K240 Y241 E543 A544 D545G229-G541 CarbonylContact O-C 3.53Å; G229-G541 WeakPolarHBondContact O-CA 3.46Å; K240-G541 PolarHBondContact O-N 3.34Å; Y241-G541 WeakPolarHBondContact CE2-O 3.46Å; Y241-G541 VanDerWaalsContact CZ-O 3.3Å; Y241-G541 VanDerWaalsContact OH-C 3.29Å; Y241-G541 PolarHBondContact OH-O 3.2Å; Y241-G541 VanDerWaalsContact OH-O 3.13Å; G541-E543 PolarHBondContact O-N 3.35Å; G541-A544 WeakPolarHBondContact O-CB 3.41Å; G541-A544 PolarHBondContact O-N 3.14Å; G541-A544 VanDerWaalsContact O-N 3.11Å; G541-D545 PolarHBondContact O-N 3.45Å
542G73.7Confident82Confident31 Ų3159.4 Ų59.432%0.3235%0.349SS..Hα-helixtrans-61.1-27.5179.800000114.1G229 Y241 D545 A546G229-G542 PolarHBondContact O-N 3.37Å; Y241-G542 PolarHBondContact OH-N 3.14Å; G542-D545 PolarHBondContact O-N 3.5Å; G542-A546 PolarHBondContact O-N 2.74Å; G542-A546 VanDerWaalsContact O-N 3.09Å
543E79Confident80.6Confident93 Ų9356.7 Ų56.744%0.43534%0.337SS..Hα-helixtrans-70-36.4176.3-167178.2-176.700111.4K537 V539 Y540 G541 A546 A547K537-E543 WeakPolarHBondContact CE-OE1 3.33Å; K537-E543 IonicContact NZ-OE1 3.65Å; K537-E543 PolarHBondContact NZ-OE1 2.92Å; K537-E543 IonicContact NZ-OE2 3.84Å; V539-E543 HydrophobicContact CB-CB 4.35Å; V539-E543 HydrophobicContact CB-CG 4.08Å; V539-E543 HydrophobicContact CG1-CG 3.79Å; Y540-E543 PolarHBondContact O-N 3.2Å; G541-E543 PolarHBondContact O-N 3.35Å; E543-A546 PolarHBondContact O-N 3.04Å; E543-A547 PolarHBondContact O-N 3.27Å
544A78.6Confident79.4Confident8 Ų859.3 Ų59.37%0.06635%0.351CS..Hα-helixtrans-64.1-43.6173.500000111.8V539 Y540 G541 A546 A547 D548V539-A544 HydrophobicContact CB-CB 4.5Å; V539-A544 HydrophobicContact CG2-CB 4.1Å; Y540-A544 PolarHBondContact O-N 3.49Å; G541-A544 WeakPolarHBondContact O-CB 3.41Å; G541-A544 PolarHBondContact O-N 3.14Å; G541-A544 VanDerWaalsContact O-N 3.11Å; A544-A546 VanDerWaalsContact C-N 3.26Å; A544-A546 PolarHBondContact O-N 3Å; A544-A547 PolarHBondContact O-N 3.44Å; A544-D548 PolarHBondContact O-N 2.98Å
545D78.2Confident78.1Confident52 Ų5261.3 Ų61.328%0.27835%0.351SS..Hα-helixtrans-61.5-36.3175.4-76.532000111.7K238 Y241 G541 G542 K549K238-D545 IonicContact NZ-OD1 2.7Å; K238-D545 PolarHBondContact NZ-OD1 3.47Å; K238-D545 IonicContact NZ-OD2 3.32Å; K238-D545 PolarHBondContact NZ-OD2 3.34Å; Y241-D545 WeakPolarHBondContact CE2-OD1 3.4Å; Y241-D545 PolarHBondContact OH-OD1 2.96Å; Y241-D545 PolarHBondContact OH-OD2 3.25Å; G541-D545 PolarHBondContact O-N 3.45Å; G542-D545 PolarHBondContact O-N 3.5Å; D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 VanDerWaalsContact O-CG 3.24Å; D545-K549 WeakPolarHBondContact O-CG 3.46Å; D545-K549 PolarHBondContact O-N 2.64Å; D545-K549 VanDerWaalsContact O-N 3.14Å
546A75.2Confident76.5Confident59 Ų5966.3 Ų66.349%0.48837%0.369SS..Hα-helixtrans-68.4-42.3176.700000111.8G542 E543 A544 K549 A550G542-A546 PolarHBondContact O-N 2.74Å; G542-A546 VanDerWaalsContact O-N 3.09Å; E543-A546 PolarHBondContact O-N 3.04Å; A544-A546 VanDerWaalsContact C-N 3.26Å; A544-A546 PolarHBondContact O-N 3Å; A546-K549 PolarHBondContact O-N 2.81Å; A546-A550 PolarHBondContact O-N 3.1Å
547A76.4Confident74.8Confident41 Ų4170.8 Ų70.834%0.33938%0.382SS..Hα-helixtrans-63.6-47.4176.200000111.9V539 E543 A544 K549 A550 E551V539-A547 HydrophobicContact CG2-CB 4.01Å; E543-A547 PolarHBondContact O-N 3.27Å; A544-A547 PolarHBondContact O-N 3.44Å; A547-K549 VanDerWaalsContact C-N 3.3Å; A547-K549 PolarHBondContact O-N 3.36Å; A547-A550 PolarHBondContact O-N 2.94Å; A547-A550 VanDerWaalsContact O-N 3.14Å; A547-E551 PolarHBondContact O-N 3.01Å
548D76Confident73.6Confident73 Ų7372.2 Ų72.239%0.3939%0.388SS..Hα-helixtrans-60-40.1177.9-8415000111.4K80 A544 E551 A552K80-D548 IonicContact NZ-OD2 2.81Å; K80-D548 PolarHBondContact NZ-OD2 3.32Å; A544-D548 PolarHBondContact O-N 2.98Å; D548-E551 PolarHBondContact O-N 3.36Å; D548-A552 WeakPolarHBondContact O-CB 3.31Å; D548-A552 PolarHBondContact O-N 2.84Å
549K76.4Confident72.3Confident150 Ų15074.5 Ų74.565%0.65241%0.413SS*.Hα-helixtrans-65.4-41.2175.4-76.6172.8-174.9174.50112.5D545 A546 A547 A553D545-K549 WeakPolarHBondContact O-CB 3.43Å; D545-K549 VanDerWaalsContact O-CG 3.24Å; D545-K549 WeakPolarHBondContact O-CG 3.46Å; D545-K549 PolarHBondContact O-N 2.64Å; D545-K549 VanDerWaalsContact O-N 3.14Å; A546-K549 PolarHBondContact O-N 2.81Å; A547-K549 VanDerWaalsContact C-N 3.3Å; A547-K549 PolarHBondContact O-N 3.36Å; K549-A553 WeakPolarHBondContact O-CB 3.37Å; K549-A553 PolarHBondContact O-N 2.94Å
550A74.5Confident71.2Confident52 Ų5280 Ų8043%0.4344%0.442SS..Hα-helixtrans-65.7-42.1177.500000111.5A546 A547 A553 N554A546-A550 PolarHBondContact O-N 3.1Å; A547-A550 PolarHBondContact O-N 2.94Å; A547-A550 VanDerWaalsContact O-N 3.14Å; A550-A553 PolarHBondContact O-N 3.17Å; A550-N554 PolarHBondContact O-N 3.15Å
551E72.3Confident69.5Low94 Ų9484.9 Ų84.944%0.43950%0.497SS..Hα-helixtrans-65.8-43177.1-161.8-167.9151.900111.9A547 D548 A553 N554 K555A547-E551 PolarHBondContact O-N 3.01Å; D548-E551 PolarHBondContact O-N 3.36Å; E551-A553 VanDerWaalsContact C-N 3.32Å; E551-A553 PolarHBondContact O-N 3.12Å; E551-N554 PolarHBondContact O-N 3.42Å; E551-K555 PolarHBondContact O-N 2.99Å; E551-K555 WeakPolarHBondContact OE1-CE 3.24Å; E551-K555 IonicContact OE1-NZ 3.28Å; E551-K555 PolarHBondContact OE1-NZ 3.23Å
552A72.3Confident68.9Low51 Ų5189.1 Ų89.142%0.42152%0.522SS..Hα-helixtrans-63.4-36.517600000112.6D548 K556D548-A552 WeakPolarHBondContact O-CB 3.31Å; D548-A552 PolarHBondContact O-N 2.84Å; A552-K556 WeakPolarHBondContact O-CG 3.44Å; A552-K556 PolarHBondContact O-N 3.36Å; A552-K556 VanDerWaalsContact O-N 3.17Å
553A66.2Low68.6Low48 Ų4892.2 Ų92.240%0.39753%0.533SS..Hα-helixtrans-64.5-46.4173.400000111.4K549 A550 E551 K555 K556 E557K549-A553 WeakPolarHBondContact O-CB 3.37Å; K549-A553 PolarHBondContact O-N 2.94Å; A550-A553 PolarHBondContact O-N 3.17Å; E551-A553 VanDerWaalsContact C-N 3.32Å; E551-A553 PolarHBondContact O-N 3.12Å; A553-K555 PolarHBondContact O-N 3.46Å; A553-K556 PolarHBondContact O-N 3.1Å; A553-K556 VanDerWaalsContact O-N 3.15Å; A553-E557 PolarHBondContact O-N 3.16Å
554N67.8Low68Low92 Ų9292.1 Ų92.149%0.49254%0.538SS..Hα-helixtrans-62.4-38.8177.4-74.1-16000112.9A550 E551 K556 E557 K558A550-N554 PolarHBondContact O-N 3.15Å; E551-N554 PolarHBondContact O-N 3.42Å; N554-K556 VanDerWaalsContact C-N 3.35Å; N554-E557 PolarHBondContact O-N 3.49Å; N554-K558 WeakPolarHBondContact O-CG 3.33Å; N554-K558 PolarHBondContact O-N 2.61Å; N554-K558 VanDerWaalsContact O-N 3.09Å
555K68Low67.4Low126 Ų12697.1 Ų97.155%0.54857%0.566SS.*Hα-helixtrans-65-36.9174.7-76.3179.3-177.7165.20112E551 A553 A559E551-K555 PolarHBondContact O-N 2.99Å; E551-K555 WeakPolarHBondContact OE1-CE 3.24Å; E551-K555 IonicContact OE1-NZ 3.28Å; E551-K555 PolarHBondContact OE1-NZ 3.23Å; A553-K555 PolarHBondContact O-N 3.46Å; K555-A559 WeakPolarHBondContact O-CB 3.48Å; K555-A559 PolarHBondContact O-N 3.09Å; K555-A559 VanDerWaalsContact O-N 3.12Å
556K59.4Low66.7Low150 Ų15099.9 Ų99.965%0.65258%0.584SS**Hα-helixtrans-69.5-39.4175.6-76.1-179.1179-178.70112.8A552 A553 N554 A559 N560A552-K556 WeakPolarHBondContact O-CG 3.44Å; A552-K556 PolarHBondContact O-N 3.36Å; A552-K556 VanDerWaalsContact O-N 3.17Å; A553-K556 PolarHBondContact O-N 3.1Å; A553-K556 VanDerWaalsContact O-N 3.15Å; N554-K556 VanDerWaalsContact C-N 3.35Å; K556-A559 PolarHBondContact O-N 3.18Å; K556-N560 WeakPolarHBondContact O-CB 3.48Å; K556-N560 PolarHBondContact O-N 3.31Å
557E56.5Low66.2Low141 Ų141102.6 Ų102.666%0.65959%0.59SS**Hα-helixtrans-63.7-43.4175-74.5-175.5172.600111.6A553 N554 A559 N560 G561A553-E557 PolarHBondContact O-N 3.16Å; N554-E557 PolarHBondContact O-N 3.49Å; E557-A559 VanDerWaalsContact C-N 3.28Å; E557-A559 PolarHBondContact O-N 2.97Å; E557-N560 PolarHBondContact O-N 2.93Å; E557-G561 PolarHBondContact O-N 3.3Å; E557-G561 VanDerWaalsContact O-N 3.1Å
558K60Low65.4Low175 Ų175107 Ų10776%0.76161%0.608SS**Hα-helixtrans-67.6-22.3175.5-72.8-175.1179.7-1770114.6N554N554-K558 WeakPolarHBondContact O-CG 3.33Å; N554-K558 PolarHBondContact O-N 2.61Å; N554-K558 VanDerWaalsContact O-N 3.09Å
559A59.2Low64.6Low79 Ų79109.6 Ų109.665%0.65363%0.625SS**Hα-helixtrans-85.5-18.7175.700000112.8K555 K556 E557K555-A559 WeakPolarHBondContact O-CB 3.48Å; K555-A559 PolarHBondContact O-N 3.09Å; K555-A559 VanDerWaalsContact O-N 3.12Å; K556-A559 PolarHBondContact O-N 3.18Å; E557-A559 VanDerWaalsContact C-N 3.28Å; E557-A559 PolarHBondContact O-N 2.97Å
560N58.6Low63.6Low148 Ų148106.3 Ų106.379%0.79162%0.623SS**Hα-helixtrans-102.6-12-178.3-74.3-9.2000113.9K556 E557K556-N560 WeakPolarHBondContact O-CB 3.48Å; K556-N560 PolarHBondContact O-N 3.31Å; E557-N560 PolarHBondContact O-N 2.93Å
561G48.8Very low62.6Low119 Ų119111.2 Ų111.2100%1.22764%0.64SS**  trans-102.30171.400000110.8E557E557-G561 PolarHBondContact O-N 3.3Å; E557-G561 VanDerWaalsContact O-N 3.1Å

Retrieved 561 of 561 residues in 669.6 ms (Link to these results)

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