A0A061I4C8_CRIGR Loading...

N-acetylgalactosamine kinase

Acts on GalNAc. Also acts as a galactokinase when galactose is present at high concentrations.

AlphaFold DB , UniProt , Accession A0A061I4C8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Galk2, Length 457 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
1M34.3Very low69.5Low252 Ų252115.8 Ų115.8100%1.24160%0.603SS**  0101.10-74-171.7-82.700106.9
2A36.5Very low71.5Confident80 Ų80106.3 Ų106.366%0.66155%0.554SS**  trans-151.771.9-176.800000108.8
3A36.1Very low73.1Confident103 Ų103104.2 Ų104.285%0.85156%0.561SS**  trans-138.632.5177.400000111.1
4E54.8Low74.6Confident173 Ų173105.9 Ų105.981%0.80856%0.564SS**  trans-89.6113.8162-84-172.4155.300108.1
5E62.5Low76Confident155 Ų155103.9 Ų103.972%0.72455%0.55SS*.  trans-57.9136.8169.6-69.8-173.6165.400109T7E5-T7 PolarHBondContact O-N 3.05Å
6P73Confident77.3Confident28 Ų28104 Ų10418%0.18256%0.558CS.*SBendtrans-75.938-172.132.4-36.9000112.7L155 L452 V453P6-L155 HydrophobicContact CG-CD1 4.12Å; P6-L155 HydrophobicContact CG-CD2 4.43Å; P6-L452 HydrophobicContact CB-CD2 4.2Å; P6-L452 CarbonylContact O-C 3.59Å; P6-L452 WeakPolarHBondContact O-CA 3.49Å; P6-L452 WeakPolarHBondContact O-CD2 3.42Å; P6-V453 HydrophobicContact CG-CG2 4.45Å; P6-V453 PolarHBondContact O-N 3.01Å
7T89.5Confident78.5Confident66 Ų66101.8 Ų101.841%0.40554%0.54SS..EExtended strand (participates in β ladder)trans-105.7129.4-171.7-60.80000112.2E5 V453 L455E5-T7 PolarHBondContact O-N 3.05Å; T7-V453 CarbonylContact C-O 3.55Å; T7-V453 WeakPolarHBondContact CA-O 3.25Å; T7-L455 HydrophobicContact CG2-CD1 3.66Å; T7-L455 HydrophobicContact CG2-CG 3.92Å
8K92.6Very high79.6Confident119 Ų11996.7 Ų96.752%0.51751%0.513SS..EExtended strand (participates in β ladder)trans-128.5132.7177.1-175.9176-178.1179.10110.7V10 V453 F454 L455K8-V10 HydrophobicContact CD-CG1 4.43Å; K8-V10 HydrophobicContact CG-CG1 4.19Å; K8-V453 PolarHBondContact N-O 3.37Å; K8-F454 HydrophobicContact CB-CD1 4.04Å; K8-F454 HydrophobicContact CB-CE1 4.25Å; K8-F454 HydrophobicContact CD-CE1 4.2Å; K8-F454 VanDerWaalsContact O-CA 3.29Å; K8-F454 WeakPolarHBondContact O-CA 3.37Å; K8-L455 PolarHBondContact O-N 2.91Å
9R94.5Very high80.6Confident178 Ų17894.9 Ų94.967%0.67250%0.503SS*.EExtended strand (participates in β ladder)trans-82.7137.2170.9-70.7-176.8180-118.51.9110.2L455 A457R9-L455 CarbonylContact C-O 3.49Å; R9-L455 WeakPolarHBondContact CA-O 3.23Å; R9-L455 HydrophobicContact CG-CB 4.35Å; R9-A457 HydrophobicContact CB-CB 4.24Å
10V95.1Very high81.5Confident8 Ų896.4 Ų96.45%0.04851%0.505CS..EExtended strand (participates in β ladder)trans-140.4143.3-177-62.80000111.3K8 V12 L18 F454 L455 E456 A457K8-V10 HydrophobicContact CD-CG1 4.43Å; K8-V10 HydrophobicContact CG-CG1 4.19Å; V10-V12 PolarHBondContact O-N 3.11Å; V10-L18 HydrophobicContact CG2-CD1 3.83Å; V10-F454 HydrophobicContact CG1-CD1 3.8Å; V10-F454 HydrophobicContact CG1-CE1 4.33Å; V10-F454 HydrophobicContact CG1-CG 4.48Å; V10-F454 HydrophobicContact CG2-CB 3.93Å; V10-F454 HydrophobicContact CG2-CD1 4.49Å; V10-F454 HydrophobicContact CG2-CG 4.4Å; V10-L455 PolarHBondContact N-O 3.25Å; V10-E456 WeakPolarHBondContact O-CA 3.11Å; V10-A457 PolarHBondContact O-N 3.46Å
11Q95.2Very high82.3Confident112 Ų11291.9 Ų91.952%0.52348%0.481SS..  trans-82106.6167.4-64.3-172.337.300108.3A13 E14 H15 A457Q11-A13 PolarHBondContact O-N 2.88Å; Q11-A13 VanDerWaalsContact O-N 3.1Å; Q11-E14 HydrophobicContact CB-CB 4.41Å; Q11-E14 HydrophobicContact CB-CG 3.9Å; Q11-E14 PolarHBondContact O-N 3.04Å; Q11-E14 PolarHBondContact OE1-OE1 2.77Å; Q11-H15 PolarHBondContact O-CD2 2.89Å; Q11-A457 HydrophobicContact CG-CB 4.41Å
12V93.6Very high85.3Confident2 Ų282.2 Ų82.21%0.01243%0.432CS..G310 helixtrans-56.3-33.6-174.1168.30000112.3V10 E14 H15 L18 L19 K22 Y36 E456V10-V12 PolarHBondContact O-N 3.11Å; V12-E14 VanDerWaalsContact C-N 3.25Å; V12-E14 PolarHBondContact O-N 3.25Å; V12-H15 PolarHBondContact O-N 3.27Å; V12-H15 VanDerWaalsContact O-N 3.13Å; V12-L18 HydrophobicContact CG1-CB 4.03Å; V12-L19 HydrophobicContact CG1-CB 4.23Å; V12-L19 HydrophobicContact CG1-CD1 4.35Å; V12-K22 HydrophobicContact CG1-CB 4.34Å; V12-K22 HydrophobicContact CG1-CD 3.95Å; V12-Y36 HydrophobicContact CG2-CE2 3.98Å; V12-E456 HydrophobicContact CB-CG 4.29Å; V12-E456 WeakPolarHBondContact CB-OE1 3.34Å; V12-E456 HydrophobicContact CG2-CB 3.91Å; V12-E456 HydrophobicContact CG2-CG 3.63Å
13A92.8Very high88.3Confident78 Ų7884.1 Ų84.165%0.64543%0.428SS*.G310 helixtrans-62.3-27.1177.500000114.2Q11 H15Q11-A13 PolarHBondContact O-N 2.88Å; Q11-A13 VanDerWaalsContact O-N 3.1Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 2.85Å
14E94.6Very high91.2Very high128 Ų12882.3 Ų82.360%0.59840%0.402SS*.G310 helixtrans-81.9-8.1178.7-61.7-177.6159.500112.6Q11 V12Q11-E14 HydrophobicContact CB-CB 4.41Å; Q11-E14 HydrophobicContact CB-CG 3.9Å; Q11-E14 PolarHBondContact O-N 3.04Å; Q11-E14 PolarHBondContact OE1-OE1 2.77Å; V12-E14 VanDerWaalsContact C-N 3.25Å; V12-E14 PolarHBondContact O-N 3.25Å
15H95.6Very high93.3Very high77 Ų7774 Ų7436%0.35636%0.364SS..  trans-120.494.6-176.5-64.2-69.3000110.4Q11 V12 A13 R17 L18 L19Q11-H15 PolarHBondContact O-CD2 2.89Å; V12-H15 PolarHBondContact O-N 3.27Å; V12-H15 VanDerWaalsContact O-N 3.13Å; A13-H15 VanDerWaalsContact C-N 3.27Å; A13-H15 PolarHBondContact O-N 2.85Å; H15-R17 PolarHBondContact O-N 2.94Å; H15-L18 HydrophobicContact CB-CB 3.95Å; H15-L18 HydrophobicContact CB-CD1 3.75Å; H15-L18 HydrophobicContact CB-CG 4.1Å; H15-L18 PolarHBondContact O-N 3.44Å; H15-L19 PolarHBondContact O-N 3.17Å
16P96.9Very high95Very high105 Ų10570.4 Ų70.468%0.68235%0.349SS*.Hα-helixtrans-52.7-36-172.8-29.734.9000114.6K20P16-K20 WeakPolarHBondContact O-CB 3.46Å; P16-K20 PolarHBondContact O-N 3.03Å
17R97.1Very high96.3Very high66 Ų6674.2 Ų74.225%0.24938%0.377CS..Hα-helixtrans-69.4-40.8177.8-169.1176176.1-155.7-6112.7H15 L21 D65 L67 D134 N136H15-R17 PolarHBondContact O-N 2.94Å; R17-L21 VanDerWaalsContact O-CB 3.31Å; R17-L21 WeakPolarHBondContact O-CB 3.32Å; R17-L21 PolarHBondContact O-N 3.34Å; R17-D65 IonicContact CZ-OD1 3.04Å; R17-D65 VanDerWaalsContact CZ-OD1 3.26Å; R17-D65 IonicContact NH1-OD1 2.93Å; R17-D65 PolarHBondContact NH1-OD1 3.11Å; R17-D65 IonicContact NH1-OD2 2.62Å; R17-D65 PolarHBondContact NH2-O 3.22Å; R17-D65 IonicContact NH2-OD1 3.21Å; R17-D65 PolarHBondContact NH2-OD1 2.98Å; R17-D65 VanDerWaalsContact NH2-OD1 3.16Å; R17-L67 HydrophobicContact CG-CD2 4.02Å; R17-D134 IonicContact CZ-OD1 3.45Å; R17-D134 IonicContact NE-OD1 2.77Å; R17-D134 PolarHBondContact NE-OD1 3.19Å; R17-D134 PolarHBondContact NH2-O 2.88Å; R17-D134 IonicContact NH2-OD1 3.54Å; R17-D134 PolarHBondContact NH2-OD1 3.17Å; R17-N136 PolarHBondContact NH1-ND2 3.17Å; R17-N136 VanDerWaalsContact NH1-ND2 3.16Å
18L98.1Very high96.7Very high10 Ų1075.9 Ų75.95%0.05238%0.378CS..Hα-helixtrans-67.9-42175.4-75.4172000111.1V10 V12 H15 L21 K22 Y36 L67V10-L18 HydrophobicContact CG2-CD1 3.83Å; V12-L18 HydrophobicContact CG1-CB 4.03Å; H15-L18 HydrophobicContact CB-CB 3.95Å; H15-L18 HydrophobicContact CB-CD1 3.75Å; H15-L18 HydrophobicContact CB-CG 4.1Å; H15-L18 PolarHBondContact O-N 3.44Å; L18-L21 PolarHBondContact O-N 3.33Å; L18-K22 WeakPolarHBondContact O-CB 3.16Å; L18-K22 PolarHBondContact O-N 3.43Å; L18-Y36 HydrophobicContact CD2-CD1 3.62Å; L18-Y36 HydrophobicContact CD2-CD2 4.09Å; L18-Y36 HydrophobicContact CD2-CE1 4.07Å; L18-Y36 HydrophobicContact CD2-CG 3.63Å; L18-L67 HydrophobicContact CD2-CD1 3.99Å; L18-L67 HydrophobicContact CD2-CD2 3.94Å; L18-L67 HydrophobicContact CD2-CG 4.44Å; L18-L67 HydrophobicContact CG-CD2 4.5Å
19L98.1Very high96.9Very high63 Ų6372.1 Ų72.133%0.3336%0.362SS..Hα-helixtrans-60.6-49.4177.6-178.362000111.4V12 H15 L21 K22 E23V12-L19 HydrophobicContact CG1-CB 4.23Å; V12-L19 HydrophobicContact CG1-CD1 4.35Å; H15-L19 PolarHBondContact O-N 3.17Å; L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.22Å; L19-K22 WeakPolarHBondContact O-CB 3.45Å; L19-K22 PolarHBondContact O-N 2.87Å; L19-E23 WeakPolarHBondContact O-CG 3.47Å; L19-E23 PolarHBondContact O-N 3.22Å
20K98.3Very high97.1Very high124 Ų12466.8 Ų66.854%0.53936%0.363SS..Hα-helixtrans-57.3-44.1174.7-176.6-178.1178.6-172.90111.6P16 K22 E23 M24P16-K20 WeakPolarHBondContact O-CB 3.46Å; P16-K20 PolarHBondContact O-N 3.03Å; K20-K22 PolarHBondContact O-N 3.32Å; K20-E23 PolarHBondContact O-N 2.96Å; K20-M24 HydrophobicContact CG-SD 4.09Å; K20-M24 WeakPolarHBondContact O-CB 3.49Å; K20-M24 WeakPolarHBondContact O-CG 3.29Å; K20-M24 PolarHBondContact O-N 3.48Å
21L98.4Very high97.2Very high2 Ų267.6 Ų67.61%0.0137%0.369CS..Hα-helixtrans-64.9-39.4179.9-167.762.5000111.9R17 L18 L19 F25 Y36 L67 A69 T83 L132 D134R17-L21 VanDerWaalsContact O-CB 3.31Å; R17-L21 WeakPolarHBondContact O-CB 3.32Å; R17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3.33Å; L19-L21 VanDerWaalsContact C-N 3.29Å; L19-L21 PolarHBondContact O-N 3.22Å; L21-F25 WeakPolarHBondContact O-CB 3.45Å; L21-F25 PolarHBondContact O-N 3.06Å; L21-Y36 HydrophobicContact CD2-CD1 4.19Å; L21-L67 HydrophobicContact CD2-CD2 3.77Å; L21-L67 HydrophobicContact CD2-CG 3.68Å; L21-A69 HydrophobicContact CD2-CB 3.75Å; L21-A69 HydrophobicContact CG-CB 3.75Å; L21-T83 HydrophobicContact CD1-CG2 3.57Å; L21-L132 HydrophobicContact CD1-CB 4.32Å; L21-L132 HydrophobicContact CD1-CD2 3.68Å; L21-L132 HydrophobicContact CD1-CG 3.71Å; L21-D134 HydrophobicContact CD1-CB 3.74Å; L21-D134 HydrophobicContact CD2-CB 4.42Å
22K98.6Very high97.3Very high49 Ų4966 Ų6621%0.21337%0.366CS..Hα-helixtrans-60.6-48174.5-179.3172.8174162.90112V12 L18 L19 K20 F25 N26 P33 Y36 E456V12-K22 HydrophobicContact CG1-CB 4.34Å; V12-K22 HydrophobicContact CG1-CD 3.95Å; L18-K22 WeakPolarHBondContact O-CB 3.16Å; L18-K22 PolarHBondContact O-N 3.43Å; L19-K22 WeakPolarHBondContact O-CB 3.45Å; L19-K22 PolarHBondContact O-N 2.87Å; K20-K22 PolarHBondContact O-N 3.32Å; K22-F25 PolarHBondContact O-N 3.3Å; K22-N26 WeakPolarHBondContact O-CB 3.36Å; K22-N26 PolarHBondContact O-N 3.23Å; K22-P33 HydrophobicContact CG-CG 4.35Å; K22-Y36 WeakPolarHBondContact CB-OH 3.42Å; K22-E456 IonicContact NZ-OE1 2.64Å; K22-E456 PolarHBondContact NZ-OE1 3.36Å; K22-E456 IonicContact NZ-OE2 2.75Å; K22-E456 PolarHBondContact NZ-OE2 2.86Å
23E98.4Very high97.5Very high120 Ų12066.2 Ų66.256%0.56137%0.368SS*.Hα-helixtrans-62.9-46.6179.5-70.4173.1172.100111.6L19 K20 F25 N26 S27L19-E23 WeakPolarHBondContact O-CG 3.47Å; L19-E23 PolarHBondContact O-N 3.22Å; K20-E23 PolarHBondContact O-N 2.96Å; E23-F25 PolarHBondContact O-N 3.48Å; E23-N26 PolarHBondContact O-N 3.42Å; E23-S27 PolarHBondContact O-N 3.21Å
24M98.6Very high97.8Very high65 Ų6569.7 Ų69.732%0.3237%0.369SS..Hα-helixtrans-64.4-39.8176.8-69.5-17869.700112K20 S27 K28 T83 L132K20-M24 HydrophobicContact CG-SD 4.09Å; K20-M24 WeakPolarHBondContact O-CB 3.49Å; K20-M24 WeakPolarHBondContact O-CG 3.29Å; K20-M24 PolarHBondContact O-N 3.48Å; M24-S27 PolarHBondContact O-N 3.36Å; M24-K28 VanDerWaalsContact O-CB 3.31Å; M24-K28 WeakPolarHBondContact O-CB 3.48Å; M24-K28 PolarHBondContact O-N 3.04Å; M24-T83 HydrophobicContact CE-CG2 3.83Å; M24-T83 HydrophobicContact SD-CG2 3.92Å; M24-L132 HydrophobicContact CB-CD2 3.61Å
25F98.8Very high98Very high0 Ų064 Ų640%034%0.342CS..Hα-helixtrans-61-47.2176.2-173.6-77.8000110.7L21 K22 E23 S27 K28 F29 S31 P33 A69 E71 N130 L132L21-F25 WeakPolarHBondContact O-CB 3.45Å; L21-F25 PolarHBondContact O-N 3.06Å; K22-F25 PolarHBondContact O-N 3.3Å; E23-F25 PolarHBondContact O-N 3.48Å; F25-S27 PolarHBondContact O-N 2.83Å; F25-K28 PolarHBondContact O-N 3.32Å; F25-F29 AromaticContact CD1-CD2 3.98Å; F25-F29 HydrophobicContact CD1-CD2 3.98Å; F25-F29 AromaticContact CD2-CD2 3.69Å; F25-F29 HydrophobicContact CD2-CD2 3.69Å; F25-F29 AromaticContact CD2-CE2 3.83Å; F25-F29 HydrophobicContact CD2-CE2 3.83Å; F25-F29 HydrophobicContact CE1-CB 4.15Å; F25-F29 AromaticContact CE1-CD2 3.83Å; F25-F29 HydrophobicContact CE1-CD2 3.83Å; F25-F29 HydrophobicContact CE1-CG 4.38Å; F25-F29 AromaticContact CE2-CD2 3.52Å; F25-F29 HydrophobicContact CE2-CD2 3.52Å; F25-F29 AromaticContact CE2-CE2 3.67Å; F25-F29 HydrophobicContact CE2-CE2 3.67Å; F25-F29 AromaticContact CG-CD2 3.9Å; F25-F29 HydrophobicContact CG-CD2 3.9Å; F25-F29 HydrophobicContact CG-CE2 4.44Å; F25-F29 HydrophobicContact CZ-CB 4.46Å; F25-F29 AromaticContact CZ-CD2 3.58Å; F25-F29 HydrophobicContact CZ-CD2 3.58Å; F25-F29 HydrophobicContact CZ-CE2 4.15Å; F25-F29 HydrophobicContact CZ-CG 4.27Å; F25-F29 PolarHBondContact O-N 3.42Å; F25-S31 VanDerWaalsContact CD1-O 3.22Å; F25-S31 WeakPolarHBondContact CD1-O 3.21Å; F25-P33 HydrophobicContact CD1-CB 4.04Å; F25-P33 HydrophobicContact CD1-CG 4.27Å; F25-P33 HydrophobicContact CD2-CB 4.28Å; F25-P33 HydrophobicContact CE1-CB 4.18Å; F25-P33 HydrophobicContact CE2-CB 4.41Å; F25-P33 HydrophobicContact CG-CB 4.12Å; F25-P33 HydrophobicContact CG-CG 4.3Å; F25-P33 HydrophobicContact CZ-CB 4.37Å; F25-A69 HydrophobicContact CB-CB 4.4Å; F25-A69 HydrophobicContact CD2-CB 3.68Å; F25-A69 HydrophobicContact CE2-CB 4.36Å; F25-A69 WeakPolarHBondContact CE2-O 3.49Å; F25-A69 HydrophobicContact CG-CB 4.27Å; F25-E71 HydrophobicContact CE1-CB 3.99Å; F25-E71 HydrophobicContact CZ-CB 3.56Å; F25-N130 HydrophobicContact CE2-CB 4.37Å; F25-N130 HydrophobicContact CZ-CB 3.93Å; F25-L132 HydrophobicContact CB-CB 4.43Å; F25-L132 HydrophobicContact CB-CD2 3.99Å; F25-L132 HydrophobicContact CD2-CB 3.65Å; F25-L132 HydrophobicContact CE2-CB 4.45Å; F25-L132 HydrophobicContact CG-CB 4.5Å
26N98.4Very high98.1Very high78 Ų7860.4 Ų60.442%0.41733%0.325SS..Hα-helixtrans-63-41.3177.1-172.742.1000112.4K22 E23 K28 G30 S31K22-N26 WeakPolarHBondContact O-CB 3.36Å; K22-N26 PolarHBondContact O-N 3.23Å; E23-N26 PolarHBondContact O-N 3.42Å; N26-K28 PolarHBondContact O-N 3.35Å; N26-G30 VanDerWaalsContact O-CA 3.24Å; N26-G30 WeakPolarHBondContact O-CA 3.37Å; N26-G30 PolarHBondContact O-N 3.29Å; N26-S31 WeakPolarHBondContact CA-O 3.44Å; N26-S31 PolarHBondContact OD1-N 3.31Å; N26-S31 PolarHBondContact OD1-O 3.33Å
27S98.3Very high98.2Very high109 Ų10955.4 Ų55.476%0.76229%0.293SS*.Hα-helixtrans-63.1-30173.6-175.80000112.9E23 M24 F25E23-S27 PolarHBondContact O-N 3.21Å; M24-S27 PolarHBondContact O-N 3.36Å; F25-S27 PolarHBondContact O-N 2.83Å
28K98.3Very high98.3Very high101 Ų10153.8 Ų53.844%0.43929%0.287SS..Hα-helixtrans-84.9-44.3-175.6-171.567.1174.7-167.70112.9M24 F25 N26 A81 D89M24-K28 VanDerWaalsContact O-CB 3.31Å; M24-K28 WeakPolarHBondContact O-CB 3.48Å; M24-K28 PolarHBondContact O-N 3.04Å; F25-K28 PolarHBondContact O-N 3.32Å; N26-K28 PolarHBondContact O-N 3.35Å; K28-A81 HydrophobicContact CD-CB 4.41Å; K28-A81 HydrophobicContact CG-CB 4.08Å; K28-D89 WeakPolarHBondContact CE-OD2 3.12Å; K28-D89 VanDerWaalsContact NZ-CG 3.33Å; K28-D89 IonicContact NZ-OD1 3.28Å; K28-D89 PolarHBondContact NZ-OD1 3.17Å; K28-D89 IonicContact NZ-OD2 2.62Å; K28-D89 PolarHBondContact NZ-OD2 2.81Å
29F98.2Very high98.3Very high40 Ų4053.3 Ų53.318%0.17528%0.284CS..Hα-helixtrans-112.2-8.5-170.8-59-67.3000113.8F25 S31 Q79 A81 N130 L132F25-F29 AromaticContact CD1-CD2 3.98Å; F25-F29 HydrophobicContact CD1-CD2 3.98Å; F25-F29 AromaticContact CD2-CD2 3.69Å; F25-F29 HydrophobicContact CD2-CD2 3.69Å; F25-F29 AromaticContact CD2-CE2 3.83Å; F25-F29 HydrophobicContact CD2-CE2 3.83Å; F25-F29 HydrophobicContact CE1-CB 4.15Å; F25-F29 AromaticContact CE1-CD2 3.83Å; F25-F29 HydrophobicContact CE1-CD2 3.83Å; F25-F29 HydrophobicContact CE1-CG 4.38Å; F25-F29 AromaticContact CE2-CD2 3.52Å; F25-F29 HydrophobicContact CE2-CD2 3.52Å; F25-F29 AromaticContact CE2-CE2 3.67Å; F25-F29 HydrophobicContact CE2-CE2 3.67Å; F25-F29 AromaticContact CG-CD2 3.9Å; F25-F29 HydrophobicContact CG-CD2 3.9Å; F25-F29 HydrophobicContact CG-CE2 4.44Å; F25-F29 HydrophobicContact CZ-CB 4.46Å; F25-F29 AromaticContact CZ-CD2 3.58Å; F25-F29 HydrophobicContact CZ-CD2 3.58Å; F25-F29 HydrophobicContact CZ-CE2 4.15Å; F25-F29 HydrophobicContact CZ-CG 4.27Å; F25-F29 PolarHBondContact O-N 3.42Å; F29-S31 VanDerWaalsContact C-N 3.26Å; F29-S31 PolarHBondContact O-N 3.05Å; F29-Q79 HydrophobicContact CE1-CB 4.02Å; F29-A81 HydrophobicContact CE2-CB 4.44Å; F29-A81 HydrophobicContact CZ-CB 3.92Å; F29-N130 HydrophobicContact CD1-CB 3.83Å; F29-N130 HydrophobicContact CD2-CB 4.1Å; F29-N130 HydrophobicContact CE1-CB 3.94Å; F29-N130 HydrophobicContact CE2-CB 4.19Å; F29-N130 HydrophobicContact CG-CB 3.92Å; F29-N130 HydrophobicContact CZ-CB 4.12Å; F29-L132 HydrophobicContact CE2-CB 4.25Å
30G98.1Very high98.3Very high66 Ų6650.4 Ų50.468%0.6827%0.269SS*.SBendtrans74.613179.800000114.5N26N26-G30 VanDerWaalsContact O-CA 3.24Å; N26-G30 WeakPolarHBondContact O-CA 3.37Å; N26-G30 PolarHBondContact O-N 3.29Å
31S96.9Very high98.3Very high25 Ų2544.5 Ų44.518%0.17524%0.243CC..SBendtrans-140.9160.7-178.260.90000110.4F25 N26 F29 E71F25-S31 VanDerWaalsContact CD1-O 3.22Å; F25-S31 WeakPolarHBondContact CD1-O 3.21Å; N26-S31 WeakPolarHBondContact CA-O 3.44Å; N26-S31 PolarHBondContact OD1-N 3.31Å; N26-S31 PolarHBondContact OD1-O 3.33Å; F29-S31 VanDerWaalsContact C-N 3.26Å; F29-S31 PolarHBondContact O-N 3.05Å; S31-E71 WeakPolarHBondContact CB-OE1 3.41Å; S31-E71 PolarHBondContact OG-OE1 3.27Å; S31-E71 PolarHBondContact OG-OE2 3.01Å
32T97.1Very high98.3Very high78 Ų7844.8 Ų44.848%0.47924%0.244SC..  trans-86.4143.7172.353.70000110.8
33P98.4Very high98.3Very high6 Ų642.5 Ų42.54%0.03923%0.234CC..  trans-62.5144.7175.130.1-36.3000110.8K22 F25 Y36 A69 V70K22-P33 HydrophobicContact CG-CG 4.35Å; F25-P33 HydrophobicContact CD1-CB 4.04Å; F25-P33 HydrophobicContact CD1-CG 4.27Å; F25-P33 HydrophobicContact CD2-CB 4.28Å; F25-P33 HydrophobicContact CE1-CB 4.18Å; F25-P33 HydrophobicContact CE2-CB 4.41Å; F25-P33 HydrophobicContact CG-CB 4.12Å; F25-P33 HydrophobicContact CG-CG 4.3Å; F25-P33 HydrophobicContact CZ-CB 4.37Å; P33-Y36 HydrophobicContact CB-CE1 4.23Å; P33-Y36 HydrophobicContact CG-CE1 3.64Å; P33-Y36 HydrophobicContact CG-CE2 4.37Å; P33-Y36 VanDerWaalsContact CG-CZ 3.48Å; P33-Y36 WeakPolarHBondContact CG-OH 3.46Å; P33-A69 HydrophobicContact CB-CB 3.86Å; P33-A69 HydrophobicContact CG-CB 4.2Å; P33-V70 CarbonylContact C-O 3.41Å
34K98.4Very high98.3Very high152 Ų15236.8 Ų36.866%0.66121%0.207SC*.SBendtrans-82.1-33179.3-171.9176.7-178.1-1780112.2V70 P72K34-V70 PolarHBondContact N-O 3.38Å; K34-P72 HydrophobicContact CD-CG 4.06Å
35F98.6Very high98.3Very high9 Ų933.7 Ų33.74%0.03919%0.192CC..EExtended strand (participates in β ladder)trans-157.9173.1176.165-87.8000109.9V37 V70 P72 T159 V160 V453 L455F35-V37 HydrophobicContact CD2-CG2 3.82Å; F35-V37 HydrophobicContact CE2-CG2 3.63Å; F35-V70 HydrophobicContact CD1-CB 4.38Å; F35-V70 HydrophobicContact CD2-CB 4.25Å; F35-V70 HydrophobicContact CD2-CG2 4.4Å; F35-V70 HydrophobicContact CE1-CB 3.99Å; F35-V70 HydrophobicContact CE1-CG1 3.82Å; F35-V70 HydrophobicContact CE2-CB 3.85Å; F35-V70 HydrophobicContact CE2-CG1 4.15Å; F35-V70 HydrophobicContact CE2-CG2 3.87Å; F35-V70 HydrophobicContact CZ-CB 3.71Å; F35-V70 HydrophobicContact CZ-CG1 3.54Å; F35-V70 HydrophobicContact CZ-CG2 4.13Å; F35-V70 PolarHBondContact N-O 3.48Å; F35-V70 PolarHBondContact O-N 3.43Å; F35-P72 HydrophobicContact CE1-CG 4.07Å; F35-T159 HydrophobicContact CD1-CG2 4.42Å; F35-T159 HydrophobicContact CD2-CG2 3.97Å; F35-T159 HydrophobicContact CE1-CG2 4.09Å; F35-T159 HydrophobicContact CE2-CG2 3.59Å; F35-T159 HydrophobicContact CG-CG2 4.37Å; F35-T159 HydrophobicContact CZ-CG2 3.65Å; F35-V160 HydrophobicContact CE1-CG2 4.09Å; F35-V160 HydrophobicContact CZ-CG2 3.68Å; F35-V453 HydrophobicContact CD2-CG1 4.15Å; F35-L455 HydrophobicContact CB-CD2 3.74Å
36Y98.8Very high98.3Very high1 Ų133.7 Ų33.70%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-128.2157.4174.1-44.6-104.2000109.7V12 L18 L21 K22 P33 I68 A69 V453 F454V12-Y36 HydrophobicContact CG2-CE2 3.98Å; L18-Y36 HydrophobicContact CD2-CD1 3.62Å; L18-Y36 HydrophobicContact CD2-CD2 4.09Å; L18-Y36 HydrophobicContact CD2-CE1 4.07Å; L18-Y36 HydrophobicContact CD2-CG 3.63Å; L21-Y36 HydrophobicContact CD2-CD1 4.19Å; K22-Y36 WeakPolarHBondContact CB-OH 3.42Å; P33-Y36 HydrophobicContact CB-CE1 4.23Å; P33-Y36 HydrophobicContact CG-CE1 3.64Å; P33-Y36 HydrophobicContact CG-CE2 4.37Å; P33-Y36 VanDerWaalsContact CG-CZ 3.48Å; P33-Y36 WeakPolarHBondContact CG-OH 3.46Å; Y36-I68 CarbonylContact C-O 3.45Å; Y36-I68 WeakPolarHBondContact CA-O 3.36Å; Y36-A69 HydrophobicContact CD1-CB 3.59Å; Y36-A69 HydrophobicContact CE1-CB 3.7Å; Y36-V453 CarbonylContact O-C 3.57Å; Y36-V453 WeakPolarHBondContact O-CA 3.26Å; Y36-F454 HydrophobicContact CD2-CB 4.4Å; Y36-F454 PolarHBondContact N-O 3.22Å; Y36-F454 PolarHBondContact O-N 2.9Å
37V98.7Very high98.3Very high0 Ų030 Ų300%017%0.172CC..EExtended strand (participates in β ladder)trans-133.6139.3173-177.70000108.6F35 L67 I68 C152 L155 V156 L452 V453F35-V37 HydrophobicContact CD2-CG2 3.82Å; F35-V37 HydrophobicContact CE2-CG2 3.63Å; V37-L67 CarbonylContact O-C 3.49Å; V37-L67 WeakPolarHBondContact O-CA 3.49Å; V37-I68 PolarHBondContact N-O 3.07Å; V37-I68 PolarHBondContact O-N 3.05Å; V37-C152 PolarHBondContact O-SG 3.25Å; V37-L155 HydrophobicContact CG1-CB 3.86Å; V37-L155 HydrophobicContact CG1-CD2 3.58Å; V37-L155 HydrophobicContact CG1-CG 3.67Å; V37-V156 HydrophobicContact CB-CG2 3.64Å; V37-V156 HydrophobicContact CG1-CG2 4.25Å; V37-V156 HydrophobicContact CG2-CB 4.42Å; V37-V156 HydrophobicContact CG2-CG2 3.52Å; V37-L452 CarbonylContact C-O 3.6Å; V37-L452 WeakPolarHBondContact CA-O 3.28Å; V37-V453 HydrophobicContact CG2-CG2 4.25Å
38R98.3Very high98.3Very high32 Ų3225 Ų2512%0.12114%0.137CC..EExtended strand (participates in β ladder)trans-117.7149.2167.866.6148.9-78.2152.4-10112.2P40 E63 D65 M66 L67 G449 A451 L452 F454R38-P40 VanDerWaalsContact NH2-CD 3.28Å; R38-P40 VanDerWaalsContact NH2-CG 3.3Å; R38-E63 PolarHBondContact NH1-O 3.32Å; R38-D65 IonicContact CZ-OD2 3.26Å; R38-D65 VanDerWaalsContact CZ-OD2 3.22Å; R38-D65 IonicContact NE-OD2 2.84Å; R38-D65 IonicContact NH1-OD2 3.16Å; R38-D65 PolarHBondContact NH1-OD2 3.39Å; R38-M66 CarbonylContact C-O 3.46Å; R38-M66 WeakPolarHBondContact CA-O 3.39Å; R38-L67 HydrophobicContact CB-CD1 4.12Å; R38-G449 PolarHBondContact NH2-O 3.05Å; R38-A451 CarbonylContact O-C 3.6Å; R38-A451 WeakPolarHBondContact O-CA 3.27Å; R38-A451 WeakPolarHBondContact O-CB 3.25Å; R38-L452 HydrophobicContact CG-CB 3.93Å; R38-L452 PolarHBondContact N-O 3.27Å; R38-L452 PolarHBondContact O-N 3.38Å; R38-F454 HydrophobicContact CB-CE2 3.92Å; R38-F454 HydrophobicContact CG-CD2 4.47Å; R38-F454 HydrophobicContact CG-CE2 3.47Å; R38-F454 VanDerWaalsContact CG-CE2 3.47Å; R38-F454 HydrophobicContact CG-CZ 3.67Å
39A98.6Very high98.4Very high0 Ų020.3 Ų20.30%012%0.117CC..EExtended strand (participates in β ladder)trans-140.3125.6165.500000110.4D65 M66 A148 C151 C152 A451A39-D65 WeakPolarHBondContact O-CA 3.33Å; A39-D65 VanDerWaalsContact O-CB 3.28Å; A39-D65 WeakPolarHBondContact O-CB 3.37Å; A39-M66 PolarHBondContact N-O 3.13Å; A39-M66 PolarHBondContact O-N 2.9Å; A39-A148 WeakPolarHBondContact CB-O 3.48Å; A39-C151 HydrophobicContact CB-CB 4.03Å; A39-C152 HydrophobicContact CB-CB 3.76Å; A39-A451 HydrophobicContact CB-CB 4.06Å
40P98.5Very high98.4Very high2 Ų218.4 Ų18.41%0.01311%0.108CC..EExtended strand (participates in β ladder)trans-66.8151.9-177.916.6-20.7000113.2R38 A61 A148 S193 G449R38-P40 VanDerWaalsContact NH2-CD 3.28Å; R38-P40 VanDerWaalsContact NH2-CG 3.3Å; P40-A61 HydrophobicContact CB-CB 3.73Å; P40-A61 HydrophobicContact CG-CB 3.79Å; P40-A148 WeakPolarHBondContact O-CB 3.27Å; P40-S193 WeakPolarHBondContact CD-O 3.41Å; P40-S193 WeakPolarHBondContact CD-OG 3.45Å; P40-S193 PolarHBondContact O-OG 2.96Å; P40-G449 WeakPolarHBondContact CG-O 3.42Å
41G98.1Very high98.4Very high0 Ų016 Ų160%08%0.08CC..EExtended strand (participates in β ladder)trans-75.3-176.5152.500000110.9A61 V62 Q64 L143G41-A61 WeakPolarHBondContact O-CA 3.4Å; G41-V62 PolarHBondContact O-N 2.94Å; G41-Q64 PolarHBondContact N-O 2.88Å; G41-L143 VanDerWaalsContact CA-O 3.32Å; G41-L143 WeakPolarHBondContact CA-O 3.47Å
42R98.4Very high98.5Very high8 Ų815.7 Ų15.73%0.038%0.075CC..EExtended strand (participates in β ladder)trans-151.6156.5-175.465.395.6-172.199.6-2.2113.4M60 G142 L143 S144 D189 I192R42-M60 WeakPolarHBondContact CA-O 3.28Å; R42-M60 WeakPolarHBondContact CB-O 3.32Å; R42-G142 PolarHBondContact NH1-O 3.5Å; R42-L143 PolarHBondContact N-O 2.83Å; R42-L143 CarbonylContact O-C 3.59Å; R42-L143 WeakPolarHBondContact O-CA 3.06Å; R42-S144 WeakPolarHBondContact CG-OG 3.34Å; R42-S144 PolarHBondContact NE-OG 3.38Å; R42-S144 PolarHBondContact NH1-OG 2.99Å; R42-S144 PolarHBondContact NH2-OG 3.17Å; R42-D189 IonicContact CZ-OD1 3.77Å; R42-D189 IonicContact CZ-OD2 3.22Å; R42-D189 IonicContact NE-OD1 2.76Å; R42-D189 PolarHBondContact NE-OD1 3.31Å; R42-D189 IonicContact NE-OD2 3.6Å; R42-D189 IonicContact NH2-OD1 3.85Å; R42-D189 PolarHBondContact NH2-OD1 3.06Å; R42-D189 IonicContact NH2-OD2 3.3Å; R42-D189 PolarHBondContact NH2-OD2 2.94Å; R42-I192 HydrophobicContact CB-CG2 3.46Å; R42-I192 VanDerWaalsContact CB-CG2 3.46Å; R42-I192 HydrophobicContact CG-CG2 3.57Å
43V98.2Very high98.6Very high0 Ų012 Ų120%05%0.053CC..EExtended strand (participates in β ladder)trans-110.1136.2164.259.10000108.9P59 M60 V62 I224 T399 V408V43-P59 VanDerWaalsContact O-CA 3.25Å; V43-P59 WeakPolarHBondContact O-CA 3.47Å; V43-P59 WeakPolarHBondContact O-CB 3.27Å; V43-M60 HydrophobicContact CG1-CE 3.6Å; V43-M60 HydrophobicContact CG1-CG 3.54Å; V43-M60 HydrophobicContact CG1-SD 4.44Å; V43-M60 PolarHBondContact N-O 3.35Å; V43-M60 PolarHBondContact O-N 2.94Å; V43-V62 HydrophobicContact CB-CG1 4.13Å; V43-V62 HydrophobicContact CG1-CG1 3.95Å; V43-I224 HydrophobicContact CB-CD1 3.78Å; V43-I224 HydrophobicContact CG1-CD1 4.28Å; V43-I224 HydrophobicContact CG2-CD1 3.48Å; V43-I224 VanDerWaalsContact CG2-CD1 3.48Å; V43-T399 HydrophobicContact CG2-CG2 4.14Å; V43-V408 HydrophobicContact CG2-CB 3.62Å; V43-V408 HydrophobicContact CG2-CG1 4.08Å; V43-V408 HydrophobicContact CG2-CG2 3.64Å
44N98.8Very high98.6Very high0 Ų012.2 Ų12.20%06%0.056CC..EExtended strand (participates in β ladder)trans-92.4113.1169.9-17117.6000108.4I46 G47 E48 M188 R397 T399N44-I46 PolarHBondContact OD1-O 3.28Å; N44-G47 VanDerWaalsContact ND2-C 3.31Å; N44-G47 PolarHBondContact ND2-O 2.91Å; N44-E48 PolarHBondContact ND2-OE1 3.21Å; N44-E48 VanDerWaalsContact ND2-OE1 3.08Å; N44-E48 PolarHBondContact ND2-OE2 3.41Å; N44-M188 HydrophobicContact CB-CE 4.08Å; N44-M188 HydrophobicContact CB-SD 3.85Å; N44-M188 PolarHBondContact ND2-SD 2.78Å; N44-M188 VanDerWaalsContact ND2-SD 3.43Å; N44-R397 PolarHBondContact O-NH1 3.16Å; N44-R397 VanDerWaalsContact O-NH1 3.09Å; N44-T399 PolarHBondContact N-OG1 2.9Å; N44-T399 PolarHBondContact O-OG1 3.44Å
45I98.7Very high98.6Very high0 Ų05.8 Ų5.80%03%0.027CC..EExtended strand (participates in β ladder)trans-70.4-43.1-176.1-57.7174.9000109.4L58 M60 A201 L216 F222 F344 R397I45-L58 HydrophobicContact CB-CD2 4.29Å; I45-L58 WeakPolarHBondContact CB-O 3.33Å; I45-L58 HydrophobicContact CD1-CD2 3.88Å; I45-L58 WeakPolarHBondContact CG1-O 3.27Å; I45-L58 PolarHBondContact N-O 3.44Å; I45-M60 HydrophobicContact CD1-CG 4.27Å; I45-M60 HydrophobicContact CD1-SD 4.19Å; I45-A201 HydrophobicContact CD1-CB 3.92Å; I45-L216 HydrophobicContact CD1-CD1 4.01Å; I45-L216 HydrophobicContact CD1-CD2 3.72Å; I45-L216 HydrophobicContact CD1-CG 4.49Å; I45-F222 HydrophobicContact CD1-CZ 4.36Å; I45-F222 HydrophobicContact CG2-CE1 3.61Å; I45-F222 HydrophobicContact CG2-CZ 3.85Å; I45-F344 HydrophobicContact CG2-CE1 3.99Å; I45-F344 HydrophobicContact CG2-CE2 3.94Å; I45-F344 HydrophobicContact CG2-CZ 3.46Å; I45-F344 VanDerWaalsContact CG2-CZ 3.46Å; I45-R397 WeakPolarHBondContact O-CD 3.31Å
46I98.8Very high98.6Very high0 Ų06.5 Ų6.50%03%0.034CC..EExtended strand (participates in β ladder)trans-162.7153.3175.3-165.2161.5000109.8N44 L58 R340 V341 F344 L362N44-I46 PolarHBondContact OD1-O 3.28Å; I46-L58 HydrophobicContact CG2-CB 4.04Å; I46-L58 HydrophobicContact CG2-CD1 4.49Å; I46-L58 PolarHBondContact O-N 3.28Å; I46-L58 VanDerWaalsContact O-N 3.12Å; I46-R340 HydrophobicContact CD1-CB 3.8Å; I46-R340 HydrophobicContact CG1-CB 4.44Å; I46-V341 HydrophobicContact CG2-CG2 4.16Å; I46-F344 HydrophobicContact CB-CD2 4.43Å; I46-F344 HydrophobicContact CD1-CD2 4.17Å; I46-F344 HydrophobicContact CG2-CB 3.85Å; I46-F344 HydrophobicContact CG2-CD1 4.39Å; I46-F344 HydrophobicContact CG2-CD2 3.88Å; I46-F344 HydrophobicContact CG2-CG 3.79Å; I46-L362 HydrophobicContact CD1-CB 3.96Å
47G98.6Very high98.6Very high0 Ų06.5 Ų6.50%03%0.034CC..  trans105.749.2-175.100000112.9N44 V57 E337N44-G47 VanDerWaalsContact ND2-C 3.31Å; N44-G47 PolarHBondContact ND2-O 2.91Å; G47-V57 WeakPolarHBondContact O-CG1 3.29Å; G47-E337 WeakPolarHBondContact CA-OE1 3.26Å; G47-E337 PolarHBondContact N-OE1 3.1Å
48E98.6Very high98.6Very high4 Ų46.5 Ų6.52%0.0193%0.034CC..THydrogen-bonded Turntrans-80.1143.7-179.2-139.663.9-108.100112.3N44 I50 H333 E337 R397 L398 G400N44-E48 PolarHBondContact ND2-OE1 3.21Å; N44-E48 VanDerWaalsContact ND2-OE1 3.08Å; N44-E48 PolarHBondContact ND2-OE2 3.41Å; E48-I50 VanDerWaalsContact O-CG2 3.31Å; E48-I50 WeakPolarHBondContact O-CG2 3.23Å; E48-I50 PolarHBondContact O-N 2.59Å; E48-I50 VanDerWaalsContact O-N 3.08Å; E48-H333 PolarHBondContact O-NE2 3.48Å; E48-E337 PolarHBondContact N-OE1 3.21Å; E48-E337 VanDerWaalsContact N-OE1 3.13Å; E48-R397 VanDerWaalsContact CB-NH2 3.31Å; E48-R397 IonicContact OE2-CZ 3.44Å; E48-R397 VanDerWaalsContact OE2-CZ 3.29Å; E48-R397 IonicContact OE2-NH1 2.61Å; E48-R397 PolarHBondContact OE2-NH1 3.16Å; E48-R397 IonicContact OE2-NH2 3.55Å; E48-R397 PolarHBondContact OE2-NH2 3.3Å; E48-L398 HydrophobicContact CG-CD1 4.06Å; E48-G400 VanDerWaalsContact CD-N 3.27Å; E48-G400 WeakPolarHBondContact CG-O 3.36Å; E48-G400 VanDerWaalsContact OE1-C 3.31Å; E48-G400 WeakPolarHBondContact OE1-CA 3.35Å; E48-G400 PolarHBondContact OE1-N 2.89Å; E48-G400 VanDerWaalsContact OE1-N 3.14Å; E48-G400 VanDerWaalsContact OE1-O 3.13Å; E48-G400 PolarHBondContact OE2-N 3.4Å; E48-G400 VanDerWaalsContact OE2-N 3.1Å
49H98.7Very high98.6Very high4 Ų45 Ų52%0.0193%0.028CC..THydrogen-bonded Turntrans57.823.6172.2-71.9-79.1000116Y52 F239 Y374 A401 W403H49-Y52 HydrophobicContact CB-CE1 4.32Å; H49-Y52 WeakPolarHBondContact CB-OH 3.13Å; H49-Y52 AromaticContact ND1-CE1 3.78Å; H49-Y52 AromaticContact ND1-CZ 3.76Å; H49-Y52 PolarHBondContact ND1-OH 3.09Å; H49-F239 AromaticContact CE1-CD2 3.96Å; H49-F239 AromaticContact CE1-CE2 3.95Å; H49-Y374 HydrophobicContact CB-CD1 3.84Å; H49-Y374 HydrophobicContact CB-CE1 3.29Å; H49-Y374 HydrophobicContact CB-CE2 4.36Å; H49-Y374 AromaticContact CD2-CD1 3.61Å; H49-Y374 AromaticContact CD2-CE1 3.65Å; H49-Y374 AromaticContact CE1-CE1 3.85Å; H49-Y374 AromaticContact CG-CD1 3.61Å; H49-Y374 AromaticContact CG-CE1 3.16Å; H49-Y374 AromaticContact CG-CZ 3.95Å; H49-Y374 AromaticContact ND1-CE1 3.33Å; H49-Y374 VanDerWaalsContact ND1-CE1 3.33Å; H49-Y374 WeakPolarHBondContact ND1-CE1 3.32Å; H49-A401 PolarHBondContact NE2-O 2.87Å; H49-W403 AromaticContact CE1-CH2 3.77Å; H49-W403 AromaticContact CE1-CZ3 3.96Å
50I98.8Very high98.6Very high0 Ų05 Ų50%03%0.028CC..  trans-115.8-12.6178.469.4178000113.6E48 C53 G54 Y55 S56 V57 V334 E337 A338 V341E48-I50 VanDerWaalsContact O-CG2 3.31Å; E48-I50 WeakPolarHBondContact O-CG2 3.23Å; E48-I50 PolarHBondContact O-N 2.59Å; E48-I50 VanDerWaalsContact O-N 3.08Å; I50-C53 CarbonylContact O-C 3.6Å; I50-C53 WeakPolarHBondContact O-CA 3.44Å; I50-C53 VanDerWaalsContact O-CB 3.27Å; I50-C53 WeakPolarHBondContact O-CB 3.4Å; I50-C53 PolarHBondContact O-N 3.33Å; I50-G54 PolarHBondContact O-N 2.9Å; I50-Y55 HydrophobicContact CB-CD2 4.46Å; I50-Y55 PolarHBondContact O-N 3.3Å; I50-Y55 VanDerWaalsContact O-N 3.09Å; I50-S56 VanDerWaalsContact CD1-O 3.27Å; I50-S56 WeakPolarHBondContact CD1-O 3.44Å; I50-V57 HydrophobicContact CD1-CG1 4.15Å; I50-V57 HydrophobicContact CG1-CG1 3.66Å; I50-V334 HydrophobicContact CB-CG1 4.32Å; I50-V334 HydrophobicContact CG2-CB 4.15Å; I50-V334 HydrophobicContact CG2-CG1 3.92Å; I50-V334 HydrophobicContact CG2-CG2 4.18Å; I50-E337 HydrophobicContact CD1-CG 4.24Å; I50-E337 HydrophobicContact CG2-CB 3.85Å; I50-E337 HydrophobicContact CG2-CG 3.95Å; I50-A338 HydrophobicContact CD1-CB 4.19Å; I50-V341 HydrophobicContact CD1-CG2 3.95Å
51D98.7Very high98.6Very high16 Ų164.9 Ų4.99%0.0863%0.028CC..THydrogen-bonded Turntrans-66.4-44.5-177.567.2-34.2000112.1C53 G54 V57 G186 G187 M188 F206D51-C53 PolarHBondContact O-N 3.42Å; D51-G54 PolarHBondContact O-N 2.97Å; D51-V57 HydrophobicContact CB-CG1 3.98Å; D51-G186 WeakPolarHBondContact OD2-CA 3.37Å; D51-G187 PolarHBondContact OD2-N 3.3Å; D51-M188 HydrophobicContact CB-CB 4.01Å; D51-M188 WeakPolarHBondContact OD2-CB 3.31Å; D51-M188 PolarHBondContact OD2-N 3.48Å; D51-F206 HydrophobicContact CB-CE2 3.64Å; D51-F206 HydrophobicContact CB-CZ 3.75Å
52Y98.6Very high98.6Very high17 Ų174.9 Ų4.97%0.0673%0.028CC..THydrogen-bonded Turntrans-69.5-16.5171.251.3-100.8000113.4H49 G54 F239 V243 C246 R266 Y374H49-Y52 HydrophobicContact CB-CE1 4.32Å; H49-Y52 WeakPolarHBondContact CB-OH 3.13Å; H49-Y52 AromaticContact ND1-CE1 3.78Å; H49-Y52 AromaticContact ND1-CZ 3.76Å; H49-Y52 PolarHBondContact ND1-OH 3.09Å; Y52-G54 VanDerWaalsContact C-N 3.26Å; Y52-F239 HydrophobicContact CD1-CZ 4.02Å; Y52-F239 HydrophobicContact CE1-CE1 4.42Å; Y52-F239 HydrophobicContact CE1-CE2 4.22Å; Y52-F239 AromaticContact CE1-CZ 3.74Å; Y52-F239 HydrophobicContact CE1-CZ 3.74Å; Y52-V243 HydrophobicContact CD1-CG2 4.15Å; Y52-V243 HydrophobicContact CD2-CB 4.41Å; Y52-V243 HydrophobicContact CD2-CG1 4.17Å; Y52-V243 HydrophobicContact CD2-CG2 4.02Å; Y52-V243 HydrophobicContact CE1-CG2 4.04Å; Y52-V243 HydrophobicContact CE2-CB 4.37Å; Y52-V243 HydrophobicContact CE2-CG2 3.94Å; Y52-V243 HydrophobicContact CG-CG2 4.1Å; Y52-C246 HydrophobicContact CE2-CB 4.43Å; Y52-R266 WeakPolarHBondContact O-CD 3.4Å; Y52-R266 WeakPolarHBondContact O-CG 3.34Å; Y52-R266 PolarHBondContact O-NE 2.95Å; Y52-Y374 PolarHBondContact OH-OH 2.96Å
53C98.8Very high98.4Very high2 Ų29.7 Ų9.71%0.0145%0.051CC..THydrogen-bonded Turntrans-840171.6-63.30000113I50 D51 Y55 R266 L267 E268 V334I50-C53 CarbonylContact O-C 3.6Å; I50-C53 WeakPolarHBondContact O-CA 3.44Å; I50-C53 VanDerWaalsContact O-CB 3.27Å; I50-C53 WeakPolarHBondContact O-CB 3.4Å; I50-C53 PolarHBondContact O-N 3.33Å; D51-C53 PolarHBondContact O-N 3.42Å; C53-Y55 HydrophobicContact CB-CD2 4.15Å; C53-R266 WeakPolarHBondContact O-CB 3.15Å; C53-L267 HydrophobicContact CB-CB 4.35Å; C53-E268 WeakPolarHBondContact O-CB 3.35Å; C53-E268 PolarHBondContact O-N 3.02Å; C53-E268 VanDerWaalsContact O-N 3.14Å; C53-V334 HydrophobicContact CB-CG1 3.77Å
54G98.6Very high98.3Very high10 Ų1011.3 Ų11.310%0.1036%0.058CC..THydrogen-bonded Turntrans91.2-3175.500000114.6I50 D51 Y52I50-G54 PolarHBondContact O-N 2.9Å; D51-G54 PolarHBondContact O-N 2.97Å; Y52-G54 VanDerWaalsContact C-N 3.26Å
55Y98.9Very high98.2Very high16 Ų1611.9 Ų11.96%0.0636%0.061CC..  trans-86.1153.7-178.5-71-67.6000112.9I50 C53 F206 L267 E268 Q271 L278 V334 Y335 A338I50-Y55 HydrophobicContact CB-CD2 4.46Å; I50-Y55 PolarHBondContact O-N 3.3Å; I50-Y55 VanDerWaalsContact O-N 3.09Å; C53-Y55 HydrophobicContact CB-CD2 4.15Å; Y55-F206 WeakPolarHBondContact O-CD2 3.48Å; Y55-F206 WeakPolarHBondContact O-CE2 3.39Å; Y55-L267 HydrophobicContact CE2-CB 4.27Å; Y55-E268 HydrophobicContact CD1-CB 4.11Å; Y55-E268 HydrophobicContact CD1-CG 4.05Å; Y55-E268 HydrophobicContact CD2-CB 4.11Å; Y55-E268 HydrophobicContact CE1-CB 3.77Å; Y55-E268 HydrophobicContact CE1-CG 3.77Å; Y55-E268 HydrophobicContact CE2-CB 3.79Å; Y55-E268 HydrophobicContact CG-CB 4.26Å; Y55-E268 VanDerWaalsContact CZ-CA 3.49Å; Y55-E268 WeakPolarHBondContact OH-CA 3.38Å; Y55-Q271 PolarHBondContact OH-OE1 3.44Å; Y55-L278 HydrophobicContact CE1-CD2 3.78Å; Y55-V334 HydrophobicContact CD2-CG1 3.62Å; Y55-V334 HydrophobicContact CE2-CG1 3.67Å; Y55-Y335 HydrophobicContact CE2-CD1 4.05Å; Y55-Y335 HydrophobicContact CE2-CE1 4.16Å; Y55-Y335 AromaticContact CZ-CD1 3.88Å; Y55-Y335 WeakPolarHBondContact OH-CD1 3.35Å; Y55-Y335 WeakPolarHBondContact OH-CE1 3.45Å; Y55-A338 HydrophobicContact CD1-CB 3.67Å; Y55-A338 HydrophobicContact CD2-CB 4.08Å; Y55-A338 HydrophobicContact CE1-CB 4.18Å; Y55-A338 HydrophobicContact CG-CB 3.61Å
56S98.8Very high98.2Very high25 Ų2512.8 Ų12.818%0.1757%0.066CC..  trans-71.4150.9179.7-53.50000111.8I50 I204 E205I50-S56 VanDerWaalsContact CD1-O 3.27Å; I50-S56 WeakPolarHBondContact CD1-O 3.44Å; S56-I204 CarbonylContact C-O 3.4Å; S56-I204 WeakPolarHBondContact CA-O 3.45Å; S56-I204 VanDerWaalsContact CB-O 3.31Å; S56-I204 WeakPolarHBondContact CB-O 3.39Å; S56-E205 WeakPolarHBondContact OG-CG 3.24Å
57V98.9Very high98.2Very high0 Ų013.1 Ų13.10%07%0.067CC..BIsolated β-bridgetrans-132.1161-177-65.80000110.6G47 I50 D51 P59 M188 L203 I204 F206G47-V57 WeakPolarHBondContact O-CG1 3.29Å; I50-V57 HydrophobicContact CD1-CG1 4.15Å; I50-V57 HydrophobicContact CG1-CG1 3.66Å; D51-V57 HydrophobicContact CB-CG1 3.98Å; V57-P59 HydrophobicContact CG2-CG 4.45Å; V57-P59 WeakPolarHBondContact O-CD 3.46Å; V57-M188 HydrophobicContact CB-CG 4.45Å; V57-M188 HydrophobicContact CB-SD 3.92Å; V57-M188 HydrophobicContact CG1-SD 4.27Å; V57-M188 HydrophobicContact CG2-CB 3.88Å; V57-M188 HydrophobicContact CG2-CG 3.62Å; V57-M188 HydrophobicContact CG2-SD 3.74Å; V57-L203 CarbonylContact O-C 3.41Å; V57-L203 WeakPolarHBondContact O-CA 3.43Å; V57-I204 HydrophobicContact CG2-CB 3.95Å; V57-I204 PolarHBondContact N-O 3.38Å; V57-I204 PolarHBondContact O-N 3.5Å; V57-F206 HydrophobicContact CG2-CE2 4.03Å; V57-F206 HydrophobicContact CG2-CZ 3.98Å
58L98.9Very high98.2Very high0 Ų013.1 Ų13.10%07%0.067CC..EExtended strand (participates in β ladder)trans-123.272.5-175.7-150.6162.9000112.3I45 I46 A201 K202 V214 V341 F344 K345I45-L58 HydrophobicContact CB-CD2 4.29Å; I45-L58 WeakPolarHBondContact CB-O 3.33Å; I45-L58 HydrophobicContact CD1-CD2 3.88Å; I45-L58 WeakPolarHBondContact CG1-O 3.27Å; I45-L58 PolarHBondContact N-O 3.44Å; I46-L58 HydrophobicContact CG2-CB 4.04Å; I46-L58 HydrophobicContact CG2-CD1 4.49Å; I46-L58 PolarHBondContact O-N 3.28Å; I46-L58 VanDerWaalsContact O-N 3.12Å; L58-A201 HydrophobicContact CD2-CB 3.92Å; L58-K202 WeakPolarHBondContact CA-O 3.43Å; L58-V214 HydrophobicContact CD1-CG1 4.23Å; L58-V214 HydrophobicContact CD1-CG2 4.28Å; L58-V214 HydrophobicContact CD2-CB 4.37Å; L58-V214 HydrophobicContact CD2-CG1 4.34Å; L58-V214 HydrophobicContact CG-CG2 4.31Å; L58-V341 HydrophobicContact CB-CG1 4.3Å; L58-F344 HydrophobicContact CD1-CB 4.4Å; L58-F344 HydrophobicContact CD1-CD1 3.65Å; L58-F344 HydrophobicContact CD1-CE1 4.38Å; L58-F344 HydrophobicContact CD1-CG 4.35Å; L58-K345 HydrophobicContact CD1-CB 4.28Å
59P98.8Very high98.2Very high0 Ų012.9 Ų12.90%07%0.066CC..EExtended strand (participates in β ladder)trans-90.9170.8175.537.5-39.7000113.4V43 V57 M188 I192 K202 I204V43-P59 VanDerWaalsContact O-CA 3.25Å; V43-P59 WeakPolarHBondContact O-CA 3.47Å; V43-P59 WeakPolarHBondContact O-CB 3.27Å; V57-P59 HydrophobicContact CG2-CG 4.45Å; V57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-M188 HydrophobicContact CB-CG 4.28Å; P59-M188 HydrophobicContact CB-SD 4.28Å; P59-M188 HydrophobicContact CG-CG 4.01Å; P59-M188 HydrophobicContact CG-SD 4.42Å; P59-I192 HydrophobicContact CB-CB 4.18Å; P59-I192 HydrophobicContact CB-CG1 4Å; P59-I192 HydrophobicContact CB-CG2 4.19Å; P59-I192 HydrophobicContact CG-CB 3.74Å; P59-I192 HydrophobicContact CG-CD1 4.06Å; P59-I192 HydrophobicContact CG-CG1 3.81Å; P59-I192 HydrophobicContact CG-CG2 4.18Å; P59-K202 VanDerWaalsContact CD-O 3.31Å; P59-K202 WeakPolarHBondContact CD-O 3.21Å; P59-K202 PolarHBondContact O-N 3.41Å; P59-I204 HydrophobicContact CG-CG1 3.81Å
60M98.6Very high98.2Very high0 Ų012.7 Ų12.70%07%0.065CC..EExtended strand (participates in β ladder)trans-139.2150.3159.366.1-179.2-17700110.3R42 V43 I45 A201 L216 F222 T445 P447R42-M60 WeakPolarHBondContact CA-O 3.28Å; R42-M60 WeakPolarHBondContact CB-O 3.32Å; V43-M60 HydrophobicContact CG1-CE 3.6Å; V43-M60 HydrophobicContact CG1-CG 3.54Å; V43-M60 HydrophobicContact CG1-SD 4.44Å; V43-M60 PolarHBondContact N-O 3.35Å; V43-M60 PolarHBondContact O-N 2.94Å; I45-M60 HydrophobicContact CD1-CG 4.27Å; I45-M60 HydrophobicContact CD1-SD 4.19Å; M60-A201 HydrophobicContact CB-CB 4.05Å; M60-L216 HydrophobicContact SD-CD1 3.76Å; M60-F222 HydrophobicContact CE-CB 3.86Å; M60-F222 HydrophobicContact CE-CD2 4.31Å; M60-F222 HydrophobicContact CE-CG 4.18Å; M60-T445 HydrophobicContact CE-CG2 3.59Å; M60-P447 HydrophobicContact CB-CB 4.11Å; M60-P447 HydrophobicContact SD-CB 3.91Å; M60-P447 HydrophobicContact SD-CG 3.56Å; M60-P447 VanDerWaalsContact SD-CG 3.56Å
61A98.5Very high98.2Very high1 Ų114.9 Ų14.91%0.0088%0.076CC..EExtended strand (participates in β ladder)trans-67.8141.1170.900000110.1P40 G41 A196 G448P40-A61 HydrophobicContact CB-CB 3.73Å; P40-A61 HydrophobicContact CG-CB 3.79Å; G41-A61 WeakPolarHBondContact O-CA 3.4Å; A61-A196 HydrophobicContact CB-CB 3.39Å; A61-G448 PolarHBondContact O-N 3.03Å
62V96.9Very high98.2Very high0 Ų016.1 Ų16.10%08%0.084CC..EExtended strand (participates in β ladder)trans-91.9167.8168-60.20000109.9G41 V43 Q64G41-V62 PolarHBondContact O-N 2.94Å; V43-V62 HydrophobicContact CB-CG1 4.13Å; V43-V62 HydrophobicContact CG1-CG1 3.95Å; V62-Q64 VanDerWaalsContact C-N 3.33Å; V62-Q64 HydrophobicContact CG2-CB 4.14Å
63E94.4Very high98.1Very high109 Ų10917.2 Ų17.251%0.5099%0.093SC..EExtended strand (participates in β ladder)trans-68.7-34178.5-65.5-174.3173.400112.3R38 K446R38-E63 PolarHBondContact NH1-O 3.32Å; E63-K446 WeakPolarHBondContact OE1-CE 3.45Å; E63-K446 IonicContact OE1-NZ 3.71Å
64Q95.5Very high97.8Very high33 Ų3327.3 Ų27.315%0.15414%0.136CC..EExtended strand (participates in β ladder)trans-61.3138.5176.2-63.381.6300111G41 V62 N136 I137 F443G41-Q64 PolarHBondContact N-O 2.88Å; V62-Q64 VanDerWaalsContact C-N 3.33Å; V62-Q64 HydrophobicContact CG2-CB 4.14Å; Q64-N136 WeakPolarHBondContact CA-OD1 3.47Å; Q64-N136 WeakPolarHBondContact CB-OD1 3.2Å; Q64-I137 HydrophobicContact CB-CB 4.4Å; Q64-I137 HydrophobicContact CB-CG1 3.76Å; Q64-F443 VanDerWaalsContact NE2-CE2 3.34Å
65D97.9Very high97.5Very high12 Ų1230.7 Ų30.76%0.06416%0.155CC..EExtended strand (participates in β ladder)trans-146.8169.9-170.866.227.5000112.3R17 R38 A39 N136R17-D65 IonicContact CZ-OD1 3.04Å; R17-D65 VanDerWaalsContact CZ-OD1 3.26Å; R17-D65 IonicContact NH1-OD1 2.93Å; R17-D65 PolarHBondContact NH1-OD1 3.11Å; R17-D65 IonicContact NH1-OD2 2.62Å; R17-D65 PolarHBondContact NH2-O 3.22Å; R17-D65 IonicContact NH2-OD1 3.21Å; R17-D65 PolarHBondContact NH2-OD1 2.98Å; R17-D65 VanDerWaalsContact NH2-OD1 3.16Å; R38-D65 IonicContact CZ-OD2 3.26Å; R38-D65 VanDerWaalsContact CZ-OD2 3.22Å; R38-D65 IonicContact NE-OD2 2.84Å; R38-D65 IonicContact NH1-OD2 3.16Å; R38-D65 PolarHBondContact NH1-OD2 3.39Å; A39-D65 WeakPolarHBondContact O-CA 3.33Å; A39-D65 VanDerWaalsContact O-CB 3.28Å; A39-D65 WeakPolarHBondContact O-CB 3.37Å; D65-N136 PolarHBondContact N-OD1 3.37Å; D65-N136 PolarHBondContact O-N 3.31Å; D65-N136 PolarHBondContact O-OD1 3.02Å
66M98.3Very high97.2Very high20 Ų2034.5 Ų34.510%0.09917%0.173CC..EExtended strand (participates in β ladder)trans-93132157-67.4-64.1170.700108.3R38 A39 G135 I137 S145 A148 L149 C152R38-M66 CarbonylContact C-O 3.46Å; R38-M66 WeakPolarHBondContact CA-O 3.39Å; A39-M66 PolarHBondContact N-O 3.13Å; A39-M66 PolarHBondContact O-N 2.9Å; M66-G135 WeakPolarHBondContact SD-CA 3.42Å; M66-I137 HydrophobicContact CE-CD1 4.38Å; M66-I137 HydrophobicContact CG-CD1 4.33Å; M66-S145 VanDerWaalsContact CE-O 3.31Å; M66-S145 WeakPolarHBondContact CE-O 3.16Å; M66-A148 HydrophobicContact CB-CB 4.27Å; M66-A148 HydrophobicContact CG-CB 3.67Å; M66-L149 HydrophobicContact CG-CB 4.06Å; M66-C152 HydrophobicContact CB-CB 4.22Å
67L98.8Very high97.1Very high6 Ų634.8 Ų34.83%0.03117%0.174CC..EExtended strand (participates in β ladder)trans-123.9127.6177.917967.2000109R17 L18 L21 V37 R38 D134 F454R17-L67 HydrophobicContact CG-CD2 4.02Å; L18-L67 HydrophobicContact CD2-CD1 3.99Å; L18-L67 HydrophobicContact CD2-CD2 3.94Å; L18-L67 HydrophobicContact CD2-CG 4.44Å; L18-L67 HydrophobicContact CG-CD2 4.5Å; L21-L67 HydrophobicContact CD2-CD2 3.77Å; L21-L67 HydrophobicContact CD2-CG 3.68Å; V37-L67 CarbonylContact O-C 3.49Å; V37-L67 WeakPolarHBondContact O-CA 3.49Å; R38-L67 HydrophobicContact CB-CD1 4.12Å; L67-D134 PolarHBondContact N-O 2.77Å; L67-D134 PolarHBondContact O-N 2.61Å; L67-F454 HydrophobicContact CD1-CD2 4.29Å; L67-F454 HydrophobicContact CD1-CE2 4.3Å
68I98.9Very high97.1Very high0 Ų034.8 Ų34.80%017%0.174CC..EExtended strand (participates in β ladder)trans-125.7122.9-176.8-54.4-178.9000109.3Y36 V37 V70 F110 C131 L132 V133 L149 C152 V156Y36-I68 CarbonylContact C-O 3.45Å; Y36-I68 WeakPolarHBondContact CA-O 3.36Å; V37-I68 PolarHBondContact N-O 3.07Å; V37-I68 PolarHBondContact O-N 3.05Å; I68-V70 HydrophobicContact CG2-CG2 3.8Å; I68-F110 HydrophobicContact CD1-CD2 4.1Å; I68-F110 HydrophobicContact CD1-CE2 3.92Å; I68-C131 HydrophobicContact CG2-CB 3.88Å; I68-L132 WeakPolarHBondContact CA-O 3.45Å; I68-V133 HydrophobicContact CD1-CG2 4.08Å; I68-V133 HydrophobicContact CG1-CB 4.43Å; I68-V133 HydrophobicContact CG1-CG1 4.25Å; I68-V133 HydrophobicContact CG1-CG2 4.01Å; I68-V133 HydrophobicContact CG2-CG2 4.32Å; I68-L149 HydrophobicContact CD1-CD1 4.23Å; I68-C152 HydrophobicContact CD1-CB 3.88Å; I68-C152 VanDerWaalsContact CD1-SG 3.58Å; I68-C152 HydrophobicContact CG1-CB 4.41Å; I68-C152 VanDerWaalsContact CG1-SG 3.56Å; I68-V156 HydrophobicContact CB-CG2 4.14Å; I68-V156 HydrophobicContact CD1-CG2 4.31Å; I68-V156 HydrophobicContact CG2-CG2 4.19Å
69A98.9Very high97Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-87.9134.216800000109.6L21 F25 P33 Y36 C131 L132L21-A69 HydrophobicContact CD2-CB 3.75Å; L21-A69 HydrophobicContact CG-CB 3.75Å; F25-A69 HydrophobicContact CB-CB 4.4Å; F25-A69 HydrophobicContact CD2-CB 3.68Å; F25-A69 HydrophobicContact CE2-CB 4.36Å; F25-A69 WeakPolarHBondContact CE2-O 3.49Å; F25-A69 HydrophobicContact CG-CB 4.27Å; P33-A69 HydrophobicContact CB-CB 3.86Å; P33-A69 HydrophobicContact CG-CB 4.2Å; Y36-A69 HydrophobicContact CD1-CB 3.59Å; Y36-A69 HydrophobicContact CE1-CB 3.7Å; A69-C131 WeakPolarHBondContact O-CA 3.43Å; A69-L132 PolarHBondContact N-O 2.56Å; A69-L132 PolarHBondContact O-N 3.44Å
70V98.9Very high97Very high0 Ų038.5 Ų38.50%019%0.191CC..EExtended strand (participates in β ladder)trans-132.8137.1-167.3-1730000112.2P33 K34 F35 I68 M129 N130 V156 V160P33-V70 CarbonylContact C-O 3.41Å; K34-V70 PolarHBondContact N-O 3.38Å; F35-V70 HydrophobicContact CD1-CB 4.38Å; F35-V70 HydrophobicContact CD2-CB 4.25Å; F35-V70 HydrophobicContact CD2-CG2 4.4Å; F35-V70 HydrophobicContact CE1-CB 3.99Å; F35-V70 HydrophobicContact CE1-CG1 3.82Å; F35-V70 HydrophobicContact CE2-CB 3.85Å; F35-V70 HydrophobicContact CE2-CG1 4.15Å; F35-V70 HydrophobicContact CE2-CG2 3.87Å; F35-V70 HydrophobicContact CZ-CB 3.71Å; F35-V70 HydrophobicContact CZ-CG1 3.54Å; F35-V70 HydrophobicContact CZ-CG2 4.13Å; F35-V70 PolarHBondContact N-O 3.48Å; F35-V70 PolarHBondContact O-N 3.43Å; I68-V70 HydrophobicContact CG2-CG2 3.8Å; V70-M129 HydrophobicContact CG1-CB 4.32Å; V70-M129 HydrophobicContact CG1-SD 4.34Å; V70-N130 WeakPolarHBondContact CA-O 3.41Å; V70-V156 HydrophobicContact CG1-CG1 4.04Å; V70-V156 HydrophobicContact CG2-CB 4.36Å; V70-V156 HydrophobicContact CG2-CG1 3.69Å; V70-V156 HydrophobicContact CG2-CG2 3.73Å; V70-V160 HydrophobicContact CG1-CG2 3.95Å
71E98.6Very high97.1Very high46 Ų4638.6 Ų38.622%0.21519%0.192CC..EExtended strand (participates in β ladder)trans-125.8116.4164.2178.3-169.9-145.200109.6F25 S31 V73 M129 N130F25-E71 HydrophobicContact CE1-CB 3.99Å; F25-E71 HydrophobicContact CZ-CB 3.56Å; S31-E71 WeakPolarHBondContact CB-OE1 3.41Å; S31-E71 PolarHBondContact OG-OE1 3.27Å; S31-E71 PolarHBondContact OG-OE2 3.01Å; E71-V73 HydrophobicContact CG-CG1 4.49Å; E71-M129 CarbonylContact O-C 3.56Å; E71-M129 VanDerWaalsContact O-CA 3.23Å; E71-M129 WeakPolarHBondContact O-CA 3.36Å; E71-M129 WeakPolarHBondContact O-CB 3.39Å; E71-N130 HydrophobicContact CB-CB 4.34Å; E71-N130 PolarHBondContact N-O 2.96Å; E71-N130 PolarHBondContact O-N 2.93Å; E71-N130 PolarHBondContact OE2-ND2 2.85Å
72P98.1Very high97.1Very high41 Ų4139.7 Ų39.727%0.26620%0.198SC..EExtended strand (participates in β ladder)trans-63.4134.5167.2-22.534.4000111.5K34 F35 V160K34-P72 HydrophobicContact CD-CG 4.06Å; F35-P72 HydrophobicContact CE1-CG 4.07Å; P72-V160 HydrophobicContact CB-CG1 4Å; P72-V160 HydrophobicContact CG-CG1 4.17Å; P72-V160 HydrophobicContact CG-CG2 4.19Å
73V96.8Very high97.1Very high40 Ų4041 Ų4124%0.24221%0.206CC..  trans-117.8155176-61.30000111.3E71 T75 G128E71-V73 HydrophobicContact CG-CG1 4.49Å; V73-T75 VanDerWaalsContact C-N 3.29Å; V73-T75 VanDerWaalsContact CG2-OG1 3.27Å; V73-T75 WeakPolarHBondContact CG2-OG1 3.26Å; V73-T75 PolarHBondContact O-N 3.49Å; V73-G128 VanDerWaalsContact CG2-C 3.43Å; V73-G128 PolarHBondContact N-O 3.03Å
74K92.8Very high97.2Very high215 Ų21538.6 Ų38.694%0.93520%0.197SC*.SBendtrans-75.7-17.1179-66.8-174.1179.3179.80113.4
75T92.3Very high97.2Very high81 Ų8142.9 Ų42.950%0.49723%0.227SC..SBendtrans-76.6162.7176.855.70000110.4V73 T77 G128V73-T75 VanDerWaalsContact C-N 3.29Å; V73-T75 VanDerWaalsContact CG2-OG1 3.27Å; V73-T75 WeakPolarHBondContact CG2-OG1 3.26Å; V73-T75 PolarHBondContact O-N 3.49Å; T75-T77 PolarHBondContact O-N 3.44Å; T75-G128 VanDerWaalsContact O-CA 3.28Å; T75-G128 WeakPolarHBondContact O-CA 3.34Å
76H92.4Very high97Very high95 Ų9548.7 Ų48.744%0.4426%0.257SS..SBendtrans-91.550.3170.6-65.8-63.1000110.5S93 L126H76-S93 VanDerWaalsContact O-CA 3.23Å; H76-S93 WeakPolarHBondContact O-CA 3.28Å; H76-S93 VanDerWaalsContact O-CB 3.25Å; H76-S93 WeakPolarHBondContact O-CB 3.3Å; H76-S93 PolarHBondContact O-OG 3.48Å; H76-L126 VanDerWaalsContact C-CD2 3.41Å; H76-L126 HydrophobicContact CB-CB 4.48Å; H76-L126 PolarHBondContact ND1-O 2.98Å; H76-L126 WeakPolarHBondContact O-CD2 3.19Å
77T96.1Very high97Very high32 Ų3251 Ų5120%0.19627%0.266CS..  trans-123.7127.2-178.8-540000110T75 Q79 S93 G128 M129T75-T77 PolarHBondContact O-N 3.44Å; T77-Q79 HydrophobicContact CG2-CG 3.93Å; T77-S93 PolarHBondContact OG1-OG 3.34Å; T77-G128 VanDerWaalsContact O-CA 3.25Å; T77-G128 WeakPolarHBondContact O-CA 3.49Å; T77-M129 PolarHBondContact O-N 3.24Å; T77-M129 VanDerWaalsContact O-N 3.1Å
78L98.1Very high96.9Very high0 Ų054.9 Ų54.90%029%0.291CS..EExtended strand (participates in β ladder)trans-94.9121.7168.4178.562.6000108.2L80 S91 T92 F110 L111 L126 M129L78-L80 HydrophobicContact CD1-CD2 3.71Å; L78-L80 HydrophobicContact CD1-CG 4.37Å; L78-L80 HydrophobicContact CD2-CD1 4.34Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CD2-CG 4.33Å; L78-L80 HydrophobicContact CG-CD2 3.95Å; L78-L80 HydrophobicContact CG-CG 4.06Å; L78-S91 CarbonylContact O-C 3.36Å; L78-S91 WeakPolarHBondContact O-CA 3.43Å; L78-T92 HydrophobicContact CB-CG2 4.21Å; L78-T92 HydrophobicContact CD2-CG2 4.45Å; L78-T92 PolarHBondContact N-O 3.01Å; L78-T92 PolarHBondContact O-N 3.31Å; L78-F110 HydrophobicContact CD1-CE1 3.96Å; L78-F110 HydrophobicContact CD1-CZ 4.33Å; L78-F110 HydrophobicContact CD2-CD1 4.24Å; L78-F110 HydrophobicContact CD2-CE1 4.01Å; L78-L111 HydrophobicContact CD2-CD2 3.71Å; L78-L126 HydrophobicContact CB-CD1 4.22Å; L78-L126 HydrophobicContact CB-CD2 4.03Å; L78-M129 HydrophobicContact CD1-CE 4.13Å; L78-M129 HydrophobicContact CD1-CG 3.46Å; L78-M129 VanDerWaalsContact CD1-CG 3.46Å; L78-M129 HydrophobicContact CD1-SD 4.3Å
79Q98.6Very high96.9Very high75 Ų7559.2 Ų59.235%0.3531%0.314SS..EExtended strand (participates in β ladder)trans-117.1120.9173.1-59.2-171.6-18.400109.5F29 T77 M129 N130 C131F29-Q79 HydrophobicContact CE1-CB 4.02Å; T77-Q79 HydrophobicContact CG2-CG 3.93Å; Q79-M129 PolarHBondContact N-O 3.35Å; Q79-N130 PolarHBondContact OE1-OD1 3.39Å; Q79-N130 VanDerWaalsContact OE1-OD1 3.04Å; Q79-C131 PolarHBondContact O-N 2.95Å
80L98.8Very high96.9Very high2 Ų261.5 Ų61.51%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-115.3127.5180-56.3-176.2000109.3L78 D89 F90 W106 H107 F110 C131L78-L80 HydrophobicContact CD1-CD2 3.71Å; L78-L80 HydrophobicContact CD1-CG 4.37Å; L78-L80 HydrophobicContact CD2-CD1 4.34Å; L78-L80 HydrophobicContact CD2-CD2 4.33Å; L78-L80 HydrophobicContact CD2-CG 4.33Å; L78-L80 HydrophobicContact CG-CD2 3.95Å; L78-L80 HydrophobicContact CG-CG 4.06Å; L80-D89 CarbonylContact O-C 3.54Å; L80-D89 VanDerWaalsContact O-CA 3.31Å; L80-D89 WeakPolarHBondContact O-CA 3.39Å; L80-F90 HydrophobicContact CB-CB 4.38Å; L80-F90 HydrophobicContact CD1-CD1 3.96Å; L80-F90 HydrophobicContact CG-CD1 4.31Å; L80-F90 PolarHBondContact N-O 2.84Å; L80-F90 PolarHBondContact O-N 2.89Å; L80-W106 HydrophobicContact CB-CH2 3.84Å; L80-W106 HydrophobicContact CB-CZ2 4.3Å; L80-H107 HydrophobicContact CD1-CB 3.86Å; L80-F110 HydrophobicContact CD1-CB 3.93Å; L80-F110 HydrophobicContact CD1-CD1 3.79Å; L80-F110 HydrophobicContact CD1-CD2 4.35Å; L80-F110 HydrophobicContact CD1-CE1 4.44Å; L80-F110 HydrophobicContact CD1-CG 3.76Å; L80-F110 HydrophobicContact CD2-CD1 3.91Å; L80-F110 HydrophobicContact CD2-CD2 3.95Å; L80-F110 HydrophobicContact CD2-CE1 3.76Å; L80-F110 HydrophobicContact CD2-CE2 3.77Å; L80-F110 HydrophobicContact CD2-CG 4.03Å; L80-F110 HydrophobicContact CD2-CZ 3.69Å; L80-C131 HydrophobicContact CD2-CB 3.69Å
81A98.8Very high96.8Very high2 Ų265.4 Ų65.42%0.01735%0.352CS..EExtended strand (participates in β ladder)trans-124.5163.1169.300000109.6K28 F29 D89 C131 L132 V133K28-A81 HydrophobicContact CD-CB 4.41Å; K28-A81 HydrophobicContact CG-CB 4.08Å; F29-A81 HydrophobicContact CE2-CB 4.44Å; F29-A81 HydrophobicContact CZ-CB 3.92Å; A81-D89 WeakPolarHBondContact CA-OD1 3.37Å; A81-D89 WeakPolarHBondContact CB-OD1 3.45Å; A81-C131 PolarHBondContact N-O 3.47Å; A81-L132 HydrophobicContact CB-CD1 3.7Å; A81-V133 PolarHBondContact O-N 3.47Å
82N98.8Very high96.8Very high24 Ų2464.5 Ų64.513%0.12835%0.349CS..EExtended strand (participates in β ladder)trans-129.8145.7175.5-157.1-70.5000110.6N84 Y87 W106 V133N82-N84 PolarHBondContact O-N 2.98Å; N82-N84 WeakPolarHBondContact OD1-CB 3.26Å; N82-N84 PolarHBondContact OD1-N 3.5Å; N82-Y87 WeakPolarHBondContact CB-O 3.27Å; N82-W106 HydrophobicContact CB-CH2 4.26Å; N82-W106 HydrophobicContact CB-CZ2 4.24Å; N82-V133 CarbonylContact C-O 3.46Å; N82-V133 WeakPolarHBondContact CA-O 3.48Å; N82-V133 PolarHBondContact OD1-O 3.5Å
83T98.3Very high96.6Very high27 Ų2766 Ų6617%0.16636%0.36CS..SBendtrans-70.3-24.3174.859.60000112.3L21 M24 L132 V133 D134L21-T83 HydrophobicContact CD1-CG2 3.57Å; M24-T83 HydrophobicContact CE-CG2 3.83Å; M24-T83 HydrophobicContact SD-CG2 3.92Å; T83-L132 HydrophobicContact CG2-CD1 4.12Å; T83-L132 HydrophobicContact CG2-CD2 4.11Å; T83-L132 HydrophobicContact CG2-CG 3.98Å; T83-V133 PolarHBondContact N-O 2.92Å; T83-D134 WeakPolarHBondContact CB-OD2 3.46Å; T83-D134 HydrophobicContact CG2-CB 3.75Å; T83-D134 WeakPolarHBondContact CG2-OD2 3.49Å; T83-D134 PolarHBondContact OG1-OD2 3.38Å
84N96Very high96.4Very high60 Ų6066.1 Ų66.132%0.32137%0.366SS..SBendtrans-93120.2176.4-177.9-17.1000110.3N82 L86 Y87N82-N84 PolarHBondContact O-N 2.98Å; N82-N84 WeakPolarHBondContact OD1-CB 3.26Å; N82-N84 PolarHBondContact OD1-N 3.5Å; N84-L86 PolarHBondContact O-N 3.23Å; N84-L86 VanDerWaalsContact O-N 3.08Å; N84-L86 WeakPolarHBondContact OD1-CB 3.42Å; N84-L86 WeakPolarHBondContact OD1-CG 3.41Å; N84-L86 PolarHBondContact OD1-N 2.71Å; N84-Y87 HydrophobicContact CB-CD2 3.91Å; N84-Y87 HydrophobicContact CB-CE2 4.23Å; N84-Y87 PolarHBondContact O-N 3.36Å
85P94.9Very high96.2Very high122 Ų12260.3 Ų60.379%0.79235%0.345SS*.THydrogen-bonded Turntrans-65.5-13.2-175.528-36.7000114.4Y87P85-Y87 PolarHBondContact O-N 2.78Å
86L94.9Very high96Very high134 Ų13462.8 Ų62.870%0.70236%0.355SS*.THydrogen-bonded Turntrans-64.5-19.8172.1-64.3177.5000112.8N84 P88N84-L86 PolarHBondContact O-N 3.23Å; N84-L86 VanDerWaalsContact O-N 3.08Å; N84-L86 WeakPolarHBondContact OD1-CB 3.42Å; N84-L86 WeakPolarHBondContact OD1-CG 3.41Å; N84-L86 PolarHBondContact OD1-N 2.71Å; L86-P88 WeakPolarHBondContact O-CD 3.46Å
87Y97Very high96Very high69 Ų6958.7 Ų58.727%0.27134%0.337SS..SBendtrans-11094.7-178.7-57.9-55.7000109.5N82 N84 P85 W106N82-Y87 WeakPolarHBondContact CB-O 3.27Å; N84-Y87 HydrophobicContact CB-CD2 3.91Å; N84-Y87 HydrophobicContact CB-CE2 4.23Å; N84-Y87 PolarHBondContact O-N 3.36Å; P85-Y87 PolarHBondContact O-N 2.78Å; Y87-W106 HydrophobicContact CD1-CB 3.68Å; Y87-W106 AromaticContact CD1-CD1 3.95Å; Y87-W106 AromaticContact CD1-CG 3.82Å; Y87-W106 HydrophobicContact CD1-CG 3.82Å; Y87-W106 HydrophobicContact CE1-CB 4.25Å; Y87-W106 HydrophobicContact CG-CB 4.33Å; Y87-W106 HydrophobicContact CG-CD2 4.49Å; Y87-W106 HydrophobicContact CG-CG 4.08Å
88P98Very high95.8Very high87 Ų8765.4 Ų65.457%0.56536%0.36SS*.  trans-65.8152.3-174.527.3-35.6000111.7L86 W106L86-P88 WeakPolarHBondContact O-CD 3.46Å; P88-W106 WeakPolarHBondContact O-CZ2 3.3Å; P88-W106 PolarHBondContact O-NE1 2.87Å
89D98.6Very high95.6Very high91 Ų9166 Ų6649%0.48736%0.363SS..  trans-55.8152.8175.5-61.7-20.6000112.2K28 L80 A81K28-D89 WeakPolarHBondContact CE-OD2 3.12Å; K28-D89 VanDerWaalsContact NZ-CG 3.33Å; K28-D89 IonicContact NZ-OD1 3.28Å; K28-D89 PolarHBondContact NZ-OD1 3.17Å; K28-D89 IonicContact NZ-OD2 2.62Å; K28-D89 PolarHBondContact NZ-OD2 2.81Å; L80-D89 CarbonylContact O-C 3.54Å; L80-D89 VanDerWaalsContact O-CA 3.31Å; L80-D89 WeakPolarHBondContact O-CA 3.39Å; A81-D89 WeakPolarHBondContact CA-OD1 3.37Å; A81-D89 WeakPolarHBondContact CB-OD1 3.45Å
90F98.3Very high95.2Very high49 Ų4964.8 Ų64.822%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-140.1142.6176.1172.4-95.6000110.5L80 T92 H107 L111L80-F90 HydrophobicContact CB-CB 4.38Å; L80-F90 HydrophobicContact CD1-CD1 3.96Å; L80-F90 HydrophobicContact CG-CD1 4.31Å; L80-F90 PolarHBondContact N-O 2.84Å; L80-F90 PolarHBondContact O-N 2.89Å; F90-T92 HydrophobicContact CE1-CG2 3.64Å; F90-T92 HydrophobicContact CZ-CG2 3.93Å; F90-H107 HydrophobicContact CB-CB 3.96Å; F90-H107 HydrophobicContact CD1-CB 4.08Å; F90-H107 AromaticContact CD2-CD2 3.63Å; F90-H107 AromaticContact CD2-CE1 3.45Å; F90-H107 VanDerWaalsContact CD2-CE1 3.45Å; F90-H107 WeakPolarHBondContact CD2-CE1 3.39Å; F90-H107 AromaticContact CD2-CG 3.79Å; F90-H107 AromaticContact CD2-ND1 3.69Å; F90-H107 AromaticContact CD2-NE2 3.44Å; F90-H107 WeakPolarHBondContact CD2-NE2 3.39Å; F90-H107 AromaticContact CE2-CD2 3.75Å; F90-H107 AromaticContact CE2-NE2 3.55Å; F90-H107 HydrophobicContact CG-CB 3.98Å; F90-H107 AromaticContact CG-CD2 3.8Å; F90-H107 AromaticContact CG-CE1 3.98Å; F90-H107 AromaticContact CG-CG 3.59Å; F90-H107 AromaticContact CG-ND1 3.72Å; F90-L111 HydrophobicContact CE1-CD1 4.12Å; F90-L111 HydrophobicContact CE1-CD2 4.35Å; F90-L111 HydrophobicContact CZ-CD1 4.11Å
91S97.6Very high94.8Very high82 Ų8270 Ų7057%0.57338%0.381SS*.EExtended strand (participates in β ladder)trans-141.1142.517365.30000111.7L78L78-S91 CarbonylContact O-C 3.36Å; L78-S91 WeakPolarHBondContact O-CA 3.43Å
92T96.8Very high94.1Very high27 Ų2775.8 Ų75.817%0.16642%0.417CS..EExtended strand (participates in β ladder)trans-147.5149.4173-173.30000111.5L78 F90 A94 I97 L126L78-T92 HydrophobicContact CB-CG2 4.21Å; L78-T92 HydrophobicContact CD2-CG2 4.45Å; L78-T92 PolarHBondContact N-O 3.01Å; L78-T92 PolarHBondContact O-N 3.31Å; F90-T92 HydrophobicContact CE1-CG2 3.64Å; F90-T92 HydrophobicContact CZ-CG2 3.93Å; T92-A94 WeakPolarHBondContact OG1-CB 3.48Å; T92-A94 PolarHBondContact OG1-N 3.09Å; T92-A94 VanDerWaalsContact OG1-N 3.14Å; T92-I97 HydrophobicContact CG2-CD1 4.27Å; T92-L126 HydrophobicContact CG2-CD1 4.03Å
93S95.6Very high93.6Very high71 Ų7181 Ų8150%0.49744%0.438SS..  trans-120.515.2169.3-58.10000111.5H76 T77 N95H76-S93 VanDerWaalsContact O-CA 3.23Å; H76-S93 WeakPolarHBondContact O-CA 3.28Å; H76-S93 VanDerWaalsContact O-CB 3.25Å; H76-S93 WeakPolarHBondContact O-CB 3.3Å; H76-S93 PolarHBondContact O-OG 3.48Å; T77-S93 PolarHBondContact OG1-OG 3.34Å; S93-N95 PolarHBondContact O-N 3.19Å
94A91.1Very high93.2Very high44 Ų4480.9 Ų80.936%0.36444%0.438SS..  trans-73.8125-178.300000110.7T92 N96 I97 L126T92-A94 WeakPolarHBondContact OG1-CB 3.48Å; T92-A94 PolarHBondContact OG1-N 3.09Å; T92-A94 VanDerWaalsContact OG1-N 3.14Å; A94-N96 VanDerWaalsContact C-N 3.33Å; A94-I97 WeakPolarHBondContact O-CD1 3.5Å; A94-L126 WeakPolarHBondContact O-CD1 3.5Å
95N89.2Confident93.2Very high93 Ų9381.4 Ų81.450%0.49744%0.44SS..SBendtrans-64.8-37.9171.9-75.7-23.8000112S93 S124 L126S93-N95 PolarHBondContact O-N 3.19Å; N95-S124 VanDerWaalsContact CB-O 3.26Å; N95-S124 WeakPolarHBondContact CB-O 3.28Å; N95-L126 PolarHBondContact OD1-N 3.21Å
96N88.6Confident93.2Very high132 Ų13276.8 Ų76.871%0.70641%0.407SS*.SBendtrans-93.6103.6175-172.618.4000110A94 Y98A94-N96 VanDerWaalsContact C-N 3.33Å; N96-Y98 PolarHBondContact O-N 3.43Å
97I91.8Very high93.4Very high9 Ų971.4 Ų71.45%0.04638%0.378CS..  trans-73.9110.4178-59.4-59.2000109.8T92 A94 I99 L111 F114 K115 L126T92-I97 HydrophobicContact CG2-CD1 4.27Å; A94-I97 WeakPolarHBondContact O-CD1 3.5Å; I97-I99 HydrophobicContact CG2-CD1 4.47Å; I97-I99 HydrophobicContact CG2-CG1 4.12Å; I97-L111 HydrophobicContact CD1-CD2 4.3Å; I97-L111 HydrophobicContact CG2-CB 3.91Å; I97-L111 HydrophobicContact CG2-CD1 4.09Å; I97-L111 HydrophobicContact CG2-CD2 4.02Å; I97-L111 HydrophobicContact CG2-CG 4.22Å; I97-F114 HydrophobicContact CD1-CE1 4.1Å; I97-F114 HydrophobicContact CG1-CD1 4.1Å; I97-F114 HydrophobicContact CG1-CE1 3.86Å; I97-K115 HydrophobicContact CB-CD 4.29Å; I97-K115 HydrophobicContact CG2-CB 4.49Å; I97-K115 HydrophobicContact CG2-CD 4.36Å; I97-K115 PolarHBondContact O-NZ 3.21Å; I97-L126 HydrophobicContact CD1-CD1 4.08Å
98Y91.6Very high93.4Very high174 Ų17468.4 Ų68.468%0.68237%0.367SS*.  trans-89.9130.4168.8179.6-105.4000109.9N96 D100N96-Y98 PolarHBondContact O-N 3.43Å; Y98-D100 HydrophobicContact CD1-CB 4.46Å; Y98-D100 HydrophobicContact CE1-CB 3.78Å
99I95Very high93.4Very high13 Ų1365.5 Ų65.57%0.06735%0.345CS..  trans-114.6110.5176.9-65.7166.1000106.9I97 K101 N108 L111 K115 Y180 I181I97-I99 HydrophobicContact CG2-CD1 4.47Å; I97-I99 HydrophobicContact CG2-CG1 4.12Å; I99-K101 PolarHBondContact O-N 3.21Å; I99-N108 HydrophobicContact CG2-CB 4.06Å; I99-L111 HydrophobicContact CD1-CB 4.24Å; I99-L111 HydrophobicContact CG1-CB 4.08Å; I99-K115 HydrophobicContact CD1-CD 3.99Å; I99-Y180 HydrophobicContact CD1-CD2 4.25Å; I99-Y180 HydrophobicContact CD1-CG 4.12Å; I99-Y180 WeakPolarHBondContact CG2-O 3.43Å; I99-I181 HydrophobicContact CG2-CD1 4.34Å
100D90.3Very high93.4Very high48 Ų4861.2 Ų61.226%0.25732%0.322SS..  trans-77.3112.5178.7-172.9-4000110.3Y98 T102 N108Y98-D100 HydrophobicContact CD1-CB 4.46Å; Y98-D100 HydrophobicContact CE1-CB 3.78Å; D100-T102 VanDerWaalsContact CG-OG1 3.28Å; D100-T102 WeakPolarHBondContact OD1-CB 3.47Å; D100-T102 PolarHBondContact OD1-N 2.99Å; D100-T102 PolarHBondContact OD1-OG1 3.49Å; D100-T102 PolarHBondContact OD2-OG1 3.37Å; D100-N108 PolarHBondContact O-ND2 2.91Å; D100-N108 VanDerWaalsContact O-ND2 3.15Å
101K89.3Confident93.4Very high111 Ų11159 Ų5948%0.48331%0.312SS..SBendtrans-79-20.1177.5-59-176.9-178.7-171.10112.7I99 K103 Y180I99-K101 PolarHBondContact O-N 3.21Å; K101-K103 VanDerWaalsContact C-N 3.32Å; K101-Y180 WeakPolarHBondContact CE-O 3.31Å; K101-Y180 WeakPolarHBondContact CG-O 3.15Å
102T85Confident93.5Very high125 Ų12555.1 Ų55.177%0.76729%0.285SS*.SBendtrans-74.4-27.7-177.171.30000112D100D100-T102 VanDerWaalsContact CG-OG1 3.28Å; D100-T102 WeakPolarHBondContact OD1-CB 3.47Å; D100-T102 PolarHBondContact OD1-N 2.99Å; D100-T102 PolarHBondContact OD1-OG1 3.49Å; D100-T102 PolarHBondContact OD2-OG1 3.37Å
103K88.1Confident93.6Very high134 Ų13453.9 Ų53.958%0.58328%0.277SS*.SBendtrans-136.391.1176.2-165.7176.5-174.9179.90109.6K101 L105 N108K101-K103 VanDerWaalsContact C-N 3.32Å; K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 HydrophobicContact CD-CD2 4.23Å; K103-L105 HydrophobicContact CG-CD2 4.12Å; K103-L105 HydrophobicContact CG-CG 4.3Å; K103-L105 PolarHBondContact O-N 2.9Å; K103-N108 PolarHBondContact O-ND2 2.93Å
104P89Confident93.7Very high24 Ų2450.5 Ų50.516%0.15625%0.254CS..  trans-72.681.6-177.230-35.4000110.9I181 A234 A235P104-I181 HydrophobicContact CB-CD1 3.99Å; P104-I181 HydrophobicContact CB-CG1 3.97Å; P104-A234 HydrophobicContact CB-CB 3.76Å; P104-A234 HydrophobicContact CG-CB 3.91Å; P104-A235 HydrophobicContact CG-CB 4.28Å
105L95.6Very high94Very high70 Ų7049.9 Ų49.937%0.36624%0.243SC..  trans-69.6152.7173.1-63176.9000110.3K103 H107 N108K103-L105 VanDerWaalsContact C-N 3.28Å; K103-L105 HydrophobicContact CD-CD2 4.23Å; K103-L105 HydrophobicContact CG-CD2 4.12Å; K103-L105 HydrophobicContact CG-CG 4.3Å; K103-L105 PolarHBondContact O-N 2.9Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 VanDerWaalsContact CD1-CE1 3.43Å; L105-H107 WeakPolarHBondContact CD1-CE1 3.34Å; L105-H107 PolarHBondContact O-N 3.07Å; L105-N108 VanDerWaalsContact O-CB 3.28Å; L105-N108 WeakPolarHBondContact O-CB 3.16Å; L105-N108 PolarHBondContact O-N 3.48Å
106W96.9Very high94.4Very high25 Ų2545.8 Ų45.810%0.09522%0.222CC..Hα-helixtrans-56.6-39.8-17477.3-90.2000113.1L80 N82 Y87 P88 N108 Y109 V133 L149L80-W106 HydrophobicContact CB-CH2 3.84Å; L80-W106 HydrophobicContact CB-CZ2 4.3Å; N82-W106 HydrophobicContact CB-CH2 4.26Å; N82-W106 HydrophobicContact CB-CZ2 4.24Å; Y87-W106 HydrophobicContact CD1-CB 3.68Å; Y87-W106 AromaticContact CD1-CD1 3.95Å; Y87-W106 AromaticContact CD1-CG 3.82Å; Y87-W106 HydrophobicContact CD1-CG 3.82Å; Y87-W106 HydrophobicContact CE1-CB 4.25Å; Y87-W106 HydrophobicContact CG-CB 4.33Å; Y87-W106 HydrophobicContact CG-CD2 4.49Å; Y87-W106 HydrophobicContact CG-CG 4.08Å; P88-W106 WeakPolarHBondContact O-CZ2 3.3Å; P88-W106 PolarHBondContact O-NE1 2.87Å; W106-N108 PolarHBondContact O-N 3.1Å; W106-Y109 PolarHBondContact O-N 2.85Å; W106-V133 HydrophobicContact CH2-CG2 4.24Å; W106-V133 HydrophobicContact CZ3-CB 4.23Å; W106-V133 HydrophobicContact CZ3-CG2 3.89Å; W106-L149 HydrophobicContact CE3-CD2 4.28Å
107H97.6Very high94.9Very high21 Ų2139.5 Ų39.510%0.09719%0.189CC..Hα-helixtrans-66.8-22.4-179.957.3-105.8000112.8L80 F90 L105 Y109 F110 L111L80-H107 HydrophobicContact CD1-CB 3.86Å; F90-H107 HydrophobicContact CB-CB 3.96Å; F90-H107 HydrophobicContact CD1-CB 4.08Å; F90-H107 AromaticContact CD2-CD2 3.63Å; F90-H107 AromaticContact CD2-CE1 3.45Å; F90-H107 VanDerWaalsContact CD2-CE1 3.45Å; F90-H107 WeakPolarHBondContact CD2-CE1 3.39Å; F90-H107 AromaticContact CD2-CG 3.79Å; F90-H107 AromaticContact CD2-ND1 3.69Å; F90-H107 AromaticContact CD2-NE2 3.44Å; F90-H107 WeakPolarHBondContact CD2-NE2 3.39Å; F90-H107 AromaticContact CE2-CD2 3.75Å; F90-H107 AromaticContact CE2-NE2 3.55Å; F90-H107 HydrophobicContact CG-CB 3.98Å; F90-H107 AromaticContact CG-CD2 3.8Å; F90-H107 AromaticContact CG-CE1 3.98Å; F90-H107 AromaticContact CG-CG 3.59Å; F90-H107 AromaticContact CG-ND1 3.72Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 VanDerWaalsContact CD1-CE1 3.43Å; L105-H107 WeakPolarHBondContact CD1-CE1 3.34Å; L105-H107 PolarHBondContact O-N 3.07Å; H107-Y109 PolarHBondContact O-N 3.37Å; H107-F110 WeakPolarHBondContact O-CB 3.49Å; H107-F110 PolarHBondContact O-N 2.76Å; H107-F110 VanDerWaalsContact O-N 3.09Å; H107-L111 WeakPolarHBondContact O-CG 3.25Å; H107-L111 PolarHBondContact O-N 3.31Å
108N98Very high95.1Very high7 Ų739.4 Ų39.44%0.03719%0.188CC..Hα-helixtrans-62.5-32.3176.7-72.4-14.2000111.7I99 D100 K103 L105 W106 L111 C112 I181I99-N108 HydrophobicContact CG2-CB 4.06Å; D100-N108 PolarHBondContact O-ND2 2.91Å; D100-N108 VanDerWaalsContact O-ND2 3.15Å; K103-N108 PolarHBondContact O-ND2 2.93Å; L105-N108 VanDerWaalsContact O-CB 3.28Å; L105-N108 WeakPolarHBondContact O-CB 3.16Å; L105-N108 PolarHBondContact O-N 3.48Å; W106-N108 PolarHBondContact O-N 3.1Å; N108-L111 CarbonylContact O-C 3.53Å; N108-L111 WeakPolarHBondContact O-CB 2.96Å; N108-L111 PolarHBondContact O-N 2.94Å; N108-C112 PolarHBondContact O-N 3.06Å; N108-C112 PolarHBondContact O-SG 3.3Å; N108-I181 HydrophobicContact CB-CD1 3.43Å; N108-I181 VanDerWaalsContact CB-CD1 3.43Å
109Y98.3Very high95.3Very high26 Ų2635.5 Ų35.510%0.10218%0.176CC..Hα-helixtrans-68.1-38.6173.4-66.4-83.7000112.3W106 H107 L111 C112 G113 S146 V150 I181 A234W106-Y109 PolarHBondContact O-N 2.85Å; H107-Y109 PolarHBondContact O-N 3.37Å; Y109-L111 VanDerWaalsContact C-N 3.3Å; Y109-L111 PolarHBondContact O-N 3.5Å; Y109-C112 WeakPolarHBondContact O-CB 3.39Å; Y109-C112 PolarHBondContact O-N 3.07Å; Y109-G113 PolarHBondContact O-N 2.89Å; Y109-S146 VanDerWaalsContact CE1-CB 3.42Å; Y109-V150 HydrophobicContact CD1-CG2 4.18Å; Y109-V150 WeakPolarHBondContact O-CG2 3.07Å; Y109-I181 HydrophobicContact CD1-CD1 4.41Å; Y109-I181 HydrophobicContact CD1-CG1 4.23Å; Y109-I181 HydrophobicContact CD2-CD1 4.31Å; Y109-I181 HydrophobicContact CE1-CB 4.21Å; Y109-I181 HydrophobicContact CE1-CD1 4.28Å; Y109-I181 HydrophobicContact CE1-CG1 3.71Å; Y109-I181 HydrophobicContact CE1-CG2 4.09Å; Y109-I181 HydrophobicContact CE2-CD1 4.18Å; Y109-I181 HydrophobicContact CE2-CG1 4.22Å; Y109-I181 HydrophobicContact CG-CD1 4.44Å; Y109-A234 WeakPolarHBondContact OH-CB 3.43Å
110F98.6Very high95.4Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-60.3-46170.8-174-72.4000110I68 L78 L80 H107 C112 G113 F114 M129 C131 L149 A153 V156I68-F110 HydrophobicContact CD1-CD2 4.1Å; I68-F110 HydrophobicContact CD1-CE2 3.92Å; L78-F110 HydrophobicContact CD1-CE1 3.96Å; L78-F110 HydrophobicContact CD1-CZ 4.33Å; L78-F110 HydrophobicContact CD2-CD1 4.24Å; L78-F110 HydrophobicContact CD2-CE1 4.01Å; L80-F110 HydrophobicContact CD1-CB 3.93Å; L80-F110 HydrophobicContact CD1-CD1 3.79Å; L80-F110 HydrophobicContact CD1-CD2 4.35Å; L80-F110 HydrophobicContact CD1-CE1 4.44Å; L80-F110 HydrophobicContact CD1-CG 3.76Å; L80-F110 HydrophobicContact CD2-CD1 3.91Å; L80-F110 HydrophobicContact CD2-CD2 3.95Å; L80-F110 HydrophobicContact CD2-CE1 3.76Å; L80-F110 HydrophobicContact CD2-CE2 3.77Å; L80-F110 HydrophobicContact CD2-CG 4.03Å; L80-F110 HydrophobicContact CD2-CZ 3.69Å; H107-F110 WeakPolarHBondContact O-CB 3.49Å; H107-F110 PolarHBondContact O-N 2.76Å; H107-F110 VanDerWaalsContact O-N 3.09Å; F110-C112 VanDerWaalsContact C-N 3.3Å; F110-C112 PolarHBondContact O-N 3.16Å; F110-G113 PolarHBondContact O-N 2.66Å; F110-F114 HydrophobicContact CD1-CB 4.24Å; F110-F114 HydrophobicContact CE1-CB 4.16Å; F110-F114 HydrophobicContact CE1-CD2 4.36Å; F110-F114 WeakPolarHBondContact O-CB 3.34Å; F110-F114 PolarHBondContact O-N 3.04Å; F110-M129 HydrophobicContact CZ-SD 4.45Å; F110-C131 HydrophobicContact CE2-CB 4.2Å; F110-C131 HydrophobicContact CZ-CB 4.4Å; F110-L149 HydrophobicContact CD2-CD1 4.46Å; F110-A153 HydrophobicContact CB-CB 4.17Å; F110-A153 HydrophobicContact CD1-CB 4.04Å; F110-A153 HydrophobicContact CD2-CB 3.6Å; F110-A153 HydrophobicContact CE1-CB 4.29Å; F110-A153 HydrophobicContact CE2-CB 3.9Å; F110-A153 HydrophobicContact CG-CB 3.67Å; F110-A153 HydrophobicContact CZ-CB 4.23Å; F110-A153 WeakPolarHBondContact O-CB 3.43Å; F110-V156 HydrophobicContact CZ-CG1 4.41Å
111L98.3Very high95.8Very high4 Ų439.9 Ų39.92%0.02119%0.194CC..Hα-helixtrans-62.1-33.8178.6-66.6178.6000112.8L78 F90 I97 I99 H107 N108 Y109 K115L78-L111 HydrophobicContact CD2-CD2 3.71Å; F90-L111 HydrophobicContact CE1-CD1 4.12Å; F90-L111 HydrophobicContact CE1-CD2 4.35Å; F90-L111 HydrophobicContact CZ-CD1 4.11Å; I97-L111 HydrophobicContact CD1-CD2 4.3Å; I97-L111 HydrophobicContact CG2-CB 3.91Å; I97-L111 HydrophobicContact CG2-CD1 4.09Å; I97-L111 HydrophobicContact CG2-CD2 4.02Å; I97-L111 HydrophobicContact CG2-CG 4.22Å; I99-L111 HydrophobicContact CD1-CB 4.24Å; I99-L111 HydrophobicContact CG1-CB 4.08Å; H107-L111 WeakPolarHBondContact O-CG 3.25Å; H107-L111 PolarHBondContact O-N 3.31Å; N108-L111 CarbonylContact O-C 3.53Å; N108-L111 WeakPolarHBondContact O-CB 2.96Å; N108-L111 PolarHBondContact O-N 2.94Å; Y109-L111 VanDerWaalsContact C-N 3.3Å; Y109-L111 PolarHBondContact O-N 3.5Å; L111-K115 WeakPolarHBondContact O-CB 3.45Å; L111-K115 PolarHBondContact O-N 2.67Å
112C98.5Very high96.1Very high0 Ų037.7 Ų37.70%020%0.203CC..Hα-helixtrans-58.6-51172.7-69.10000111.6N108 Y109 F110 G116 V150 S177N108-C112 PolarHBondContact O-N 3.06Å; N108-C112 PolarHBondContact O-SG 3.3Å; Y109-C112 WeakPolarHBondContact O-CB 3.39Å; Y109-C112 PolarHBondContact O-N 3.07Å; F110-C112 VanDerWaalsContact C-N 3.3Å; F110-C112 PolarHBondContact O-N 3.16Å; C112-G116 PolarHBondContact O-N 2.82Å; C112-V150 HydrophobicContact CB-CG1 4.35Å; C112-V150 HydrophobicContact CB-CG2 4.14Å; C112-S177 WeakPolarHBondContact CB-O 3.46Å; C112-S177 WeakPolarHBondContact O-CB 3.1Å; C112-S177 PolarHBondContact O-OG 2.88Å
113G98.4Very high96.4Very high0 Ų034.6 Ų34.60%018%0.181CC..Hα-helixtrans-63.7-46.9178.900000111.8Y109 F110 G116 I117 V150Y109-G113 PolarHBondContact O-N 2.89Å; F110-G113 PolarHBondContact O-N 2.66Å; G113-G116 PolarHBondContact O-N 3.18Å; G113-I117 WeakPolarHBondContact O-CG1 3.26Å; G113-I117 PolarHBondContact O-N 3Å; G113-V150 WeakPolarHBondContact CA-O 3.24Å
114F98.1Very high96.4Very high0 Ų032.5 Ų32.50%018%0.183CC..Hα-helixtrans-56.7-53.3176.4175.4-91.6000112.6I97 F110 G116 I117 Q118 L126 M129 T157I97-F114 HydrophobicContact CD1-CE1 4.1Å; I97-F114 HydrophobicContact CG1-CD1 4.1Å; I97-F114 HydrophobicContact CG1-CE1 3.86Å; F110-F114 HydrophobicContact CD1-CB 4.24Å; F110-F114 HydrophobicContact CE1-CB 4.16Å; F110-F114 HydrophobicContact CE1-CD2 4.36Å; F110-F114 WeakPolarHBondContact O-CB 3.34Å; F110-F114 PolarHBondContact O-N 3.04Å; F114-G116 PolarHBondContact O-N 3.35Å; F114-I117 PolarHBondContact O-N 3.24Å; F114-Q118 HydrophobicContact CD1-CG 4.49Å; F114-Q118 HydrophobicContact CE1-CG 4.13Å; F114-Q118 HydrophobicContact CZ-CG 4.18Å; F114-Q118 WeakPolarHBondContact O-CG 3.34Å; F114-Q118 PolarHBondContact O-N 3.48Å; F114-Q118 VanDerWaalsContact O-N 3.15Å; F114-L126 HydrophobicContact CZ-CG 3.99Å; F114-M129 HydrophobicContact CD2-CE 3.47Å; F114-M129 VanDerWaalsContact CD2-CE 3.47Å; F114-M129 HydrophobicContact CE2-CE 3.4Å; F114-T157 WeakPolarHBondContact CA-OG1 3.38Å; F114-T157 HydrophobicContact CD2-CG2 3.82Å; F114-T157 WeakPolarHBondContact CD2-OG1 3.23Å; F114-T157 HydrophobicContact CE2-CG2 4.18Å; F114-T157 HydrophobicContact CG-CG2 4.48Å
115K97.7Very high96.3Very high32 Ų3237.8 Ų37.814%0.13920%0.204CC..Hα-helixtrans-61.8-43.4-178.8-179.9172.8-176.8154.60111.7I97 I99 L111 I117 Q118 E119 Y180I97-K115 HydrophobicContact CB-CD 4.29Å; I97-K115 HydrophobicContact CG2-CB 4.49Å; I97-K115 HydrophobicContact CG2-CD 4.36Å; I97-K115 PolarHBondContact O-NZ 3.21Å; I99-K115 HydrophobicContact CD1-CD 3.99Å; L111-K115 WeakPolarHBondContact O-CB 3.45Å; L111-K115 PolarHBondContact O-N 2.67Å; K115-I117 VanDerWaalsContact C-N 3.3Å; K115-I117 PolarHBondContact O-N 3.48Å; K115-Q118 PolarHBondContact O-N 3.11Å; K115-E119 WeakPolarHBondContact CE-OE1 3.47Å; K115-E119 HydrophobicContact CG-CG 4.15Å; K115-E119 IonicContact NZ-OE1 3.83Å; K115-E119 WeakPolarHBondContact O-CB 3.37Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 2.81Å; K115-Y180 HydrophobicContact CD-CD2 4.09Å; K115-Y180 HydrophobicContact CD-CE2 3.94Å; K115-Y180 HydrophobicContact CG-CE2 4.12Å
116G98.1Very high96.1Very high6 Ų634.6 Ų34.66%0.06219%0.187CC..Hα-helixtrans-57.9-41.4179.900000113C112 G113 F114 H120C112-G116 PolarHBondContact O-N 2.82Å; G113-G116 PolarHBondContact O-N 3.18Å; F114-G116 PolarHBondContact O-N 3.35Å; G116-H120 WeakPolarHBondContact O-CB 3.15Å; G116-H120 PolarHBondContact O-N 3.11Å; G116-H120 VanDerWaalsContact O-N 3.08Å
117I98Very high95.6Very high0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-70.7-43.2177.4-61-65000111.5G113 F114 K115 E119 H120 F121 G154 T157 L158 L161 L165 L170 I173G113-I117 WeakPolarHBondContact O-CG1 3.26Å; G113-I117 PolarHBondContact O-N 3Å; F114-I117 PolarHBondContact O-N 3.24Å; K115-I117 VanDerWaalsContact C-N 3.3Å; K115-I117 PolarHBondContact O-N 3.48Å; I117-E119 PolarHBondContact O-N 3.4Å; I117-H120 PolarHBondContact O-N 3.24Å; I117-F121 HydrophobicContact CG2-CD2 4.08Å; I117-F121 HydrophobicContact CG2-CE2 4.11Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 2.87Å; I117-G154 WeakPolarHBondContact CG1-O 3.38Å; I117-T157 HydrophobicContact CB-CG2 3.98Å; I117-T157 HydrophobicContact CG2-CG2 3.92Å; I117-L158 HydrophobicContact CG2-CB 4.38Å; I117-L161 HydrophobicContact CG2-CD1 3.92Å; I117-L165 HydrophobicContact CD1-CD1 3.92Å; I117-L170 HydrophobicContact CD1-CD2 3.84Å; I117-I173 HydrophobicContact CD1-CD1 4.48Å; I117-I173 HydrophobicContact CD1-CG2 4.13Å
118Q95.9Very high95.5Very high8 Ų833.7 Ų33.74%0.03719%0.187CC..Hα-helixtrans-61.4-44.7177.5-69-159.7-49.300112.1F114 K115 F121 G122 L123 K125 T127 T157F114-Q118 HydrophobicContact CD1-CG 4.49Å; F114-Q118 HydrophobicContact CE1-CG 4.13Å; F114-Q118 HydrophobicContact CZ-CG 4.18Å; F114-Q118 WeakPolarHBondContact O-CG 3.34Å; F114-Q118 PolarHBondContact O-N 3.48Å; F114-Q118 VanDerWaalsContact O-N 3.15Å; K115-Q118 PolarHBondContact O-N 3.11Å; Q118-F121 CarbonylContact O-C 3.59Å; Q118-F121 PolarHBondContact O-N 3.34Å; Q118-G122 PolarHBondContact O-N 3.4Å; Q118-G122 VanDerWaalsContact O-N 3.07Å; Q118-L123 HydrophobicContact CB-CB 4.31Å; Q118-L123 PolarHBondContact O-N 3.12Å; Q118-K125 PolarHBondContact NE2-O 3.33Å; Q118-T127 PolarHBondContact NE2-OG1 2.99Å; Q118-T127 VanDerWaalsContact NE2-OG1 3.15Å; Q118-T157 HydrophobicContact CG-CG2 4.37Å
119E96.9Very high95.6Very high92 Ų9233.3 Ų33.343%0.4319%0.185SC..Hα-helixtrans-63.9-39.7177.8-73.1178.6159.800112.2K115 I117 F121 G122 Y180K115-E119 WeakPolarHBondContact CE-OE1 3.47Å; K115-E119 HydrophobicContact CG-CG 4.15Å; K115-E119 IonicContact NZ-OE1 3.83Å; K115-E119 WeakPolarHBondContact O-CB 3.37Å; K115-E119 WeakPolarHBondContact O-CG 3.31Å; K115-E119 PolarHBondContact O-N 2.81Å; I117-E119 PolarHBondContact O-N 3.4Å; E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 2.83Å; E119-G122 PolarHBondContact O-N 2.66Å; E119-Y180 VanDerWaalsContact CD-OH 3.31Å; E119-Y180 PolarHBondContact OE1-OH 3.16Å; E119-Y180 WeakPolarHBondContact OE2-CE2 3.24Å; E119-Y180 PolarHBondContact OE2-OH 3.24Å
120H97.4Very high95.6Very high91 Ų9132.8 Ų32.842%0.42118%0.184SC..Hα-helixtrans-56.9-40.7176.7-17982.4000112.2G116 I117 L165 I173G116-H120 WeakPolarHBondContact O-CB 3.15Å; G116-H120 PolarHBondContact O-N 3.11Å; G116-H120 VanDerWaalsContact O-N 3.08Å; I117-H120 PolarHBondContact O-N 3.24Å; H120-L165 WeakPolarHBondContact NE2-CD2 3.26Å; H120-I173 HydrophobicContact CB-CD1 4.02Å; H120-I173 WeakPolarHBondContact ND1-CD1 3.49Å
121F97.2Very high95.6Very high62 Ų6232.8 Ų32.827%0.27218%0.184SC..THydrogen-bonded Turntrans-92.36.5178-67.5-69000114.1I117 Q118 E119 L123 L158 M163 L165I117-F121 HydrophobicContact CG2-CD2 4.08Å; I117-F121 HydrophobicContact CG2-CE2 4.11Å; I117-F121 WeakPolarHBondContact O-CD2 3.45Å; I117-F121 PolarHBondContact O-N 2.87Å; Q118-F121 CarbonylContact O-C 3.59Å; Q118-F121 PolarHBondContact O-N 3.34Å; E119-F121 VanDerWaalsContact C-N 3.26Å; E119-F121 PolarHBondContact O-N 2.83Å; F121-L123 VanDerWaalsContact C-N 3.26Å; F121-L123 HydrophobicContact CB-CD1 4.07Å; F121-L123 HydrophobicContact CB-CD2 4.47Å; F121-L123 HydrophobicContact CB-CG 3.83Å; F121-L123 PolarHBondContact O-N 2.86Å; F121-L158 HydrophobicContact CE2-CD1 3.77Å; F121-L158 HydrophobicContact CZ-CD1 4.08Å; F121-M163 HydrophobicContact CB-CE 4.38Å; F121-M163 HydrophobicContact CB-SD 3.96Å; F121-M163 HydrophobicContact CD1-CE 4.37Å; F121-M163 HydrophobicContact CD1-SD 3.54Å; F121-M163 VanDerWaalsContact CD1-SD 3.54Å; F121-M163 HydrophobicContact CD2-SD 3.46Å; F121-M163 WeakPolarHBondContact CD2-SD 3.2Å; F121-M163 HydrophobicContact CE1-CB 4.31Å; F121-M163 HydrophobicContact CE1-CG 4.49Å; F121-M163 HydrophobicContact CE1-SD 3.79Å; F121-M163 HydrophobicContact CE2-CB 4.02Å; F121-M163 HydrophobicContact CE2-SD 3.72Å; F121-M163 HydrophobicContact CG-CE 4.31Å; F121-M163 HydrophobicContact CG-SD 3.36Å; F121-M163 WeakPolarHBondContact CG-SD 3.38Å; F121-M163 HydrophobicContact CZ-CB 3.8Å; F121-M163 HydrophobicContact CZ-CG 4.38Å; F121-M163 HydrophobicContact CZ-SD 3.88Å; F121-L165 HydrophobicContact CE1-CD2 4.49Å; F121-L165 HydrophobicContact CE2-CD1 4.02Å; F121-L165 HydrophobicContact CE2-CD2 4.47Å; F121-L165 HydrophobicContact CE2-CG 4.2Å; F121-L165 HydrophobicContact CZ-CD1 4.13Å; F121-L165 HydrophobicContact CZ-CD2 3.79Å; F121-L165 HydrophobicContact CZ-CG 3.82Å
122G95.8Very high95.6Very high65 Ų6532.8 Ų32.867%0.6718%0.184SC*.THydrogen-bonded Turntrans63.328.3-179.800000114.2Q118 E119Q118-G122 PolarHBondContact O-N 3.4Å; Q118-G122 VanDerWaalsContact O-N 3.07Å; E119-G122 PolarHBondContact O-N 2.66Å
123L92.9Very high95.6Very high59 Ų5932.9 Ų32.931%0.30918%0.184SC..  trans-85.8126.3-176.4-57.5179000110.9Q118 F121 L161 M163Q118-L123 HydrophobicContact CB-CB 4.31Å; Q118-L123 PolarHBondContact O-N 3.12Å; F121-L123 VanDerWaalsContact C-N 3.26Å; F121-L123 HydrophobicContact CB-CD1 4.07Å; F121-L123 HydrophobicContact CB-CD2 4.47Å; F121-L123 HydrophobicContact CB-CG 3.83Å; F121-L123 PolarHBondContact O-N 2.86Å; L123-L161 HydrophobicContact CD1-CD1 3.62Å; L123-L161 HydrophobicContact CD1-CD2 3.56Å; L123-L161 HydrophobicContact CD1-CG 4.24Å; L123-M163 HydrophobicContact CD1-CE 4.36Å
124S86.7Confident95.6Very high90 Ų9034 Ų3463%0.62919%0.191SC*.  trans-102.7-15-179.758.10000114.2N95N95-S124 VanDerWaalsContact CB-O 3.26Å; N95-S124 WeakPolarHBondContact CB-O 3.28Å
125K88.1Confident95.6Very high136 Ų13635.7 Ų35.759%0.59121%0.208SC*.SBendtrans-92.5137.4177.9-67.9-174.5180-178.60110.1Q118 T127Q118-K125 PolarHBondContact NE2-O 3.33Å; K125-T127 PolarHBondContact O-N 3.12Å
126L90.3Very high95.4Very high3 Ų337.4 Ų37.42%0.01622%0.219CC..  trans-62.7128.7175.1-173.6145.6000110.9H76 L78 T92 A94 N95 I97 F114 G128H76-L126 VanDerWaalsContact C-CD2 3.41Å; H76-L126 HydrophobicContact CB-CB 4.48Å; H76-L126 PolarHBondContact ND1-O 2.98Å; H76-L126 WeakPolarHBondContact O-CD2 3.19Å; L78-L126 HydrophobicContact CB-CD1 4.22Å; L78-L126 HydrophobicContact CB-CD2 4.03Å; T92-L126 HydrophobicContact CG2-CD1 4.03Å; A94-L126 WeakPolarHBondContact O-CD1 3.5Å; N95-L126 PolarHBondContact OD1-N 3.21Å; I97-L126 HydrophobicContact CD1-CD1 4.08Å; F114-L126 HydrophobicContact CZ-CG 3.99Å; L126-G128 PolarHBondContact O-N 3Å
127T87.1Confident95.2Very high19 Ų1937.4 Ų37.412%0.11722%0.217CC..  trans-77.1107.9170.9-500000109.2Q118 K125 M129 V160 L161Q118-T127 PolarHBondContact NE2-OG1 2.99Å; Q118-T127 VanDerWaalsContact NE2-OG1 3.15Å; K125-T127 PolarHBondContact O-N 3.12Å; T127-M129 HydrophobicContact CG2-CE 4.36Å; T127-V160 HydrophobicContact CG2-CB 3.99Å; T127-V160 HydrophobicContact CG2-CG1 3.33Å; T127-L161 HydrophobicContact CG2-CD2 4.05Å; T127-L161 HydrophobicContact CG2-CG 4.36Å; T127-L161 WeakPolarHBondContact OG1-CD2 3.15Å
128G96.3Very high94.8Very high7 Ų738 Ų387%0.07222%0.221CC..  trans-74.6131.1-17700000113.3V73 T75 T77 L126V73-G128 VanDerWaalsContact CG2-C 3.43Å; V73-G128 PolarHBondContact N-O 3.03Å; T75-G128 VanDerWaalsContact O-CA 3.28Å; T75-G128 WeakPolarHBondContact O-CA 3.34Å; T77-G128 VanDerWaalsContact O-CA 3.25Å; T77-G128 WeakPolarHBondContact O-CA 3.49Å; L126-G128 PolarHBondContact O-N 3Å
129M98.3Very high94.3Very high0 Ų040.1 Ų40.10%024%0.236CC..EExtended strand (participates in β ladder)trans-160.7153.3174.957-172.4128.900112V70 E71 T77 L78 Q79 F110 F114 T127 V156 V160V70-M129 HydrophobicContact CG1-CB 4.32Å; V70-M129 HydrophobicContact CG1-SD 4.34Å; E71-M129 CarbonylContact O-C 3.56Å; E71-M129 VanDerWaalsContact O-CA 3.23Å; E71-M129 WeakPolarHBondContact O-CA 3.36Å; E71-M129 WeakPolarHBondContact O-CB 3.39Å; T77-M129 PolarHBondContact O-N 3.24Å; T77-M129 VanDerWaalsContact O-N 3.1Å; L78-M129 HydrophobicContact CD1-CE 4.13Å; L78-M129 HydrophobicContact CD1-CG 3.46Å; L78-M129 VanDerWaalsContact CD1-CG 3.46Å; L78-M129 HydrophobicContact CD1-SD 4.3Å; Q79-M129 PolarHBondContact N-O 3.35Å; F110-M129 HydrophobicContact CZ-SD 4.45Å; F114-M129 HydrophobicContact CD2-CE 3.47Å; F114-M129 VanDerWaalsContact CD2-CE 3.47Å; F114-M129 HydrophobicContact CE2-CE 3.4Å; T127-M129 HydrophobicContact CG2-CE 4.36Å; M129-V156 HydrophobicContact CE-CG1 4.49Å; M129-V156 HydrophobicContact SD-CG1 3.53Å; M129-V156 VanDerWaalsContact SD-CG1 3.53Å; M129-V160 HydrophobicContact SD-CG2 3.81Å
130N98.8Very high93.7Very high15 Ų1536.5 Ų36.58%0.0822%0.223CC..EExtended strand (participates in β ladder)trans-97.2132.7164.4-60.8-28.3000108.3F25 F29 V70 E71 Q79F25-N130 HydrophobicContact CE2-CB 4.37Å; F25-N130 HydrophobicContact CZ-CB 3.93Å; F29-N130 HydrophobicContact CD1-CB 3.83Å; F29-N130 HydrophobicContact CD2-CB 4.1Å; F29-N130 HydrophobicContact CE1-CB 3.94Å; F29-N130 HydrophobicContact CE2-CB 4.19Å; F29-N130 HydrophobicContact CG-CB 3.92Å; F29-N130 HydrophobicContact CZ-CB 4.12Å; V70-N130 WeakPolarHBondContact CA-O 3.41Å; E71-N130 HydrophobicContact CB-CB 4.34Å; E71-N130 PolarHBondContact N-O 2.96Å; E71-N130 PolarHBondContact O-N 2.93Å; E71-N130 PolarHBondContact OE2-ND2 2.85Å; Q79-N130 PolarHBondContact OE1-OD1 3.39Å; Q79-N130 VanDerWaalsContact OE1-OD1 3.04Å
131C98.9Very high93.2Very high0 Ų032.2 Ų32.20%020%0.203CC..EExtended strand (participates in β ladder)trans-133.8130.2-179.7-670000110.7I68 A69 Q79 L80 A81 F110I68-C131 HydrophobicContact CG2-CB 3.88Å; A69-C131 WeakPolarHBondContact O-CA 3.43Å; Q79-C131 PolarHBondContact O-N 2.95Å; L80-C131 HydrophobicContact CD2-CB 3.69Å; A81-C131 PolarHBondContact N-O 3.47Å; F110-C131 HydrophobicContact CE2-CB 4.2Å; F110-C131 HydrophobicContact CZ-CB 4.4Å
132L98.9Very high92.7Very high4 Ų429.4 Ų29.42%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-110.7117.5166.3-176.460.4000109.1L21 M24 F25 F29 I68 A69 A81 T83L21-L132 HydrophobicContact CD1-CB 4.32Å; L21-L132 HydrophobicContact CD1-CD2 3.68Å; L21-L132 HydrophobicContact CD1-CG 3.71Å; M24-L132 HydrophobicContact CB-CD2 3.61Å; F25-L132 HydrophobicContact CB-CB 4.43Å; F25-L132 HydrophobicContact CB-CD2 3.99Å; F25-L132 HydrophobicContact CD2-CB 3.65Å; F25-L132 HydrophobicContact CE2-CB 4.45Å; F25-L132 HydrophobicContact CG-CB 4.5Å; F29-L132 HydrophobicContact CE2-CB 4.25Å; I68-L132 WeakPolarHBondContact CA-O 3.45Å; A69-L132 PolarHBondContact N-O 2.56Å; A69-L132 PolarHBondContact O-N 3.44Å; A81-L132 HydrophobicContact CB-CD1 3.7Å; T83-L132 HydrophobicContact CG2-CD1 4.12Å; T83-L132 HydrophobicContact CG2-CD2 4.11Å; T83-L132 HydrophobicContact CG2-CG 3.98Å
133V98.8Very high92.6Very high1 Ų126.4 Ų26.41%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-95.3133.9-178.4-176.30000110.4I68 A81 N82 T83 W106 L149I68-V133 HydrophobicContact CD1-CG2 4.08Å; I68-V133 HydrophobicContact CG1-CB 4.43Å; I68-V133 HydrophobicContact CG1-CG1 4.25Å; I68-V133 HydrophobicContact CG1-CG2 4.01Å; I68-V133 HydrophobicContact CG2-CG2 4.32Å; A81-V133 PolarHBondContact O-N 3.47Å; N82-V133 CarbonylContact C-O 3.46Å; N82-V133 WeakPolarHBondContact CA-O 3.48Å; N82-V133 PolarHBondContact OD1-O 3.5Å; T83-V133 PolarHBondContact N-O 2.92Å; W106-V133 HydrophobicContact CH2-CG2 4.24Å; W106-V133 HydrophobicContact CZ3-CB 4.23Å; W106-V133 HydrophobicContact CZ3-CG2 3.89Å; V133-L149 HydrophobicContact CG1-CD1 4.01Å
134D98.5Very high92.7Very high24 Ų2423.7 Ų23.713%0.12815%0.146CC..EExtended strand (participates in β ladder)trans-133.7118172.4-178-88.3000109.7R17 L21 L67 T83R17-D134 IonicContact CZ-OD1 3.45Å; R17-D134 IonicContact NE-OD1 2.77Å; R17-D134 PolarHBondContact NE-OD1 3.19Å; R17-D134 PolarHBondContact NH2-O 2.88Å; R17-D134 IonicContact NH2-OD1 3.54Å; R17-D134 PolarHBondContact NH2-OD1 3.17Å; L21-D134 HydrophobicContact CD1-CB 3.74Å; L21-D134 HydrophobicContact CD2-CB 4.42Å; L67-D134 PolarHBondContact N-O 2.77Å; L67-D134 PolarHBondContact O-N 2.61Å; T83-D134 WeakPolarHBondContact CB-OD2 3.46Å; T83-D134 HydrophobicContact CG2-CB 3.75Å; T83-D134 WeakPolarHBondContact CG2-OD2 3.49Å; T83-D134 PolarHBondContact OG1-OD2 3.38Å
135G96.8Very high93.1Very high36 Ų3620.4 Ų20.437%0.37112%0.123SC..EExtended strand (participates in β ladder)trans-121.5135-179.200000111.6M66M66-G135 WeakPolarHBondContact SD-CA 3.42Å
136N94.6Very high93.5Very high67 Ų6715 Ų1536%0.35810%0.102SC..  trans-117.88.1175.771.1-5.2000113.6R17 Q64 D65R17-N136 PolarHBondContact NH1-ND2 3.17Å; R17-N136 VanDerWaalsContact NH1-ND2 3.16Å; Q64-N136 WeakPolarHBondContact CA-OD1 3.47Å; Q64-N136 WeakPolarHBondContact CB-OD1 3.2Å; D65-N136 PolarHBondContact N-OD1 3.37Å; D65-N136 PolarHBondContact O-N 3.31Å; D65-N136 PolarHBondContact O-OD1 3.02Å
137I93.9Very high93.9Very high6 Ų614.9 Ų14.93%0.03110%0.102CC..SBendtrans-74.9128.4168.4-53.5161.2000107.7Q64 M66 P139 L143 A148Q64-I137 HydrophobicContact CB-CB 4.4Å; Q64-I137 HydrophobicContact CB-CG1 3.76Å; M66-I137 HydrophobicContact CE-CD1 4.38Å; M66-I137 HydrophobicContact CG-CD1 4.33Å; I137-P139 WeakPolarHBondContact O-CD 3.37Å; I137-P139 VanDerWaalsContact O-N 3.12Å; I137-L143 HydrophobicContact CG2-CB 3.75Å; I137-A148 HydrophobicContact CD1-CB 3.47Å; I137-A148 VanDerWaalsContact CD1-CB 3.47Å
138P88.6Confident94.4Very high13 Ų1314 Ų148%0.08410%0.097CC..PPolyproline II helixtrans-55.6119.5174.9-23.231.5000110.6S141 L143P138-S141 WeakPolarHBondContact O-CB 3.47Å; P138-S141 PolarHBondContact O-OG 3.43Å; P138-L143 HydrophobicContact CG-CD1 4.24Å
139P86.3Confident94.5Very high53 Ų5314.3 Ų14.334%0.34410%0.097SC..THydrogen-bonded Turntrans-66.9150.3-176.928.2-34.6000110.8I137 S141I137-P139 WeakPolarHBondContact O-CD 3.37Å; I137-P139 VanDerWaalsContact O-N 3.12Å; P139-S141 PolarHBondContact O-N 2.91Å
140G83.6Confident94.5Very high15 Ų1514.3 Ų14.316%0.15510%0.097CC..THydrogen-bonded Turntrans64.49.8174.900000115.3M231G140-M231 PolarHBondContact O-N 3.33Å
141S87.4Confident94.5Very high2 Ų213.6 Ų13.61%0.0149%0.093CC..SBendtrans-100.911.5-166.269.90000115.1P138 P139 L143 G405 C406P138-S141 WeakPolarHBondContact O-CB 3.47Å; P138-S141 PolarHBondContact O-OG 3.43Å; P139-S141 PolarHBondContact O-N 2.91Å; S141-L143 PolarHBondContact O-N 2.96Å; S141-G405 VanDerWaalsContact C-CA 3.47Å; S141-G405 CarbonylContact O-C 3.56Å; S141-G405 WeakPolarHBondContact O-CA 3.19Å; S141-C406 VanDerWaalsContact O-CB 3.31Å; S141-C406 WeakPolarHBondContact O-CB 3.41Å; S141-C406 PolarHBondContact O-N 3.36Å; S141-C406 PolarHBondContact O-SG 3.08Å
142G86.8Confident94.5Very high3 Ų313.6 Ų13.63%0.0319%0.093CC..SBendtrans75.94.7-176.800000115.1R42R42-G142 PolarHBondContact NH1-O 3.5Å
143L94Very high94.5Very high1 Ų113.4 Ų13.41%0.0059%0.092CC..SBendtrans-95.517177.1-58.6177.2000114.9G41 R42 I137 P138 S141 S145 I224 T399 C406 F443G41-L143 VanDerWaalsContact CA-O 3.32Å; G41-L143 WeakPolarHBondContact CA-O 3.47Å; R42-L143 PolarHBondContact N-O 2.83Å; R42-L143 CarbonylContact O-C 3.59Å; R42-L143 WeakPolarHBondContact O-CA 3.06Å; I137-L143 HydrophobicContact CG2-CB 3.75Å; P138-L143 HydrophobicContact CG-CD1 4.24Å; S141-L143 PolarHBondContact O-N 2.96Å; L143-S145 PolarHBondContact O-N 3.05Å; L143-I224 HydrophobicContact CD1-CG2 4.1Å; L143-I224 HydrophobicContact CD2-CG2 4.03Å; L143-T399 HydrophobicContact CD2-CG2 4.16Å; L143-C406 HydrophobicContact CD2-CB 4.02Å; L143-C406 HydrophobicContact CG-CB 4.18Å; L143-F443 HydrophobicContact CD1-CZ 4.21Å
144S94.4Very high94.5Very high3 Ų313.4 Ų13.42%0.0219%0.092CC..  trans60.540.5175.5-51.20000116.3R42 S146 S147 A148 D189R42-S144 WeakPolarHBondContact CG-OG 3.34Å; R42-S144 PolarHBondContact NE-OG 3.38Å; R42-S144 PolarHBondContact NH1-OG 2.99Å; R42-S144 PolarHBondContact NH2-OG 3.17Å; S144-S146 PolarHBondContact O-N 3.29Å; S144-S147 PolarHBondContact O-N 3.33Å; S144-A148 WeakPolarHBondContact O-CB 3.33Å; S144-A148 PolarHBondContact O-N 2.97Å; S144-D189 WeakPolarHBondContact CB-OD2 3.32Å; S144-D189 PolarHBondContact OG-OD1 2.94Å; S144-D189 PolarHBondContact OG-OD2 3.05Å
145S94.7Very high94.5Very high20 Ų2012.4 Ų12.414%0.149%0.087CC..Hα-helixtrans-57.6-33.8170.963.90000112.8M66 L143 L149M66-S145 VanDerWaalsContact CE-O 3.31Å; M66-S145 WeakPolarHBondContact CE-O 3.16Å; L143-S145 PolarHBondContact O-N 3.05Å; S145-L149 PolarHBondContact O-N 2.79Å; S145-L149 VanDerWaalsContact O-N 3.16Å
146S95.9Very high94.6Very high22 Ų2210.7 Ų10.715%0.1547%0.069CC..Hα-helixtrans-64.9-53.3176.759.20000111.7Y109 S144 A148 L149 V150 E178Y109-S146 VanDerWaalsContact CE1-CB 3.42Å; S144-S146 PolarHBondContact O-N 3.29Å; S146-A148 VanDerWaalsContact C-N 3.32Å; S146-A148 PolarHBondContact O-N 2.78Å; S146-L149 WeakPolarHBondContact O-CB 3.35Å; S146-L149 PolarHBondContact O-N 3.48Å; S146-V150 WeakPolarHBondContact O-CG2 3.47Å; S146-V150 PolarHBondContact O-N 3.09Å; S146-E178 VanDerWaalsContact CB-OE1 3.29Å; S146-E178 WeakPolarHBondContact CB-OE1 3.34Å; S146-E178 PolarHBondContact OG-OE1 3.25Å
147S98.4Very high94.8Very high2 Ų27.5 Ų7.51%0.0145%0.052CC..Hα-helixtrans-66.1-35.9-179.1-52.10000112S144 L149 V150 C151 E178 D189S144-S147 PolarHBondContact O-N 3.33Å; S147-L149 VanDerWaalsContact C-N 3.29Å; S147-L149 PolarHBondContact O-N 2.85Å; S147-V150 PolarHBondContact O-N 2.84Å; S147-C151 VanDerWaalsContact O-CB 3.28Å; S147-C151 WeakPolarHBondContact O-CB 3.4Å; S147-C151 PolarHBondContact O-N 3.17Å; S147-C151 PolarHBondContact O-SG 2.62Å; S147-E178 WeakPolarHBondContact CA-OE2 3.28Å; S147-E178 VanDerWaalsContact CB-OE2 3.29Å; S147-E178 WeakPolarHBondContact CB-OE2 3.49Å; S147-E178 PolarHBondContact N-OE1 3.05Å; S147-E178 VanDerWaalsContact OG-CD 3.3Å; S147-E178 PolarHBondContact OG-OE1 2.85Å; S147-E178 PolarHBondContact OG-OE2 2.85Å; S147-D189 VanDerWaalsContact OG-CB 3.28Å; S147-D189 WeakPolarHBondContact OG-CB 3.43Å
148A98.6Very high95Very high1 Ų17.7 Ų7.71%0.0085%0.053CC..Hα-helixtrans-58-42.9171.200000111.3A39 P40 M66 I137 S144 S146 C152A39-A148 WeakPolarHBondContact CB-O 3.48Å; P40-A148 WeakPolarHBondContact O-CB 3.27Å; M66-A148 HydrophobicContact CB-CB 4.27Å; M66-A148 HydrophobicContact CG-CB 3.67Å; I137-A148 HydrophobicContact CD1-CB 3.47Å; I137-A148 VanDerWaalsContact CD1-CB 3.47Å; S144-A148 WeakPolarHBondContact O-CB 3.33Å; S144-A148 PolarHBondContact O-N 2.97Å; S146-A148 VanDerWaalsContact C-N 3.32Å; S146-A148 PolarHBondContact O-N 2.78Å; A148-C152 WeakPolarHBondContact O-CB 3.31Å; A148-C152 PolarHBondContact O-N 3.13Å
149L98.8Very high95.4Very high13 Ų139.3 Ų9.37%0.0686%0.062CC..Hα-helixtrans-67.7-42.3177.117955.9000111.9M66 I68 W106 F110 V133 S145 S146 S147 A153M66-L149 HydrophobicContact CG-CB 4.06Å; I68-L149 HydrophobicContact CD1-CD1 4.23Å; W106-L149 HydrophobicContact CE3-CD2 4.28Å; F110-L149 HydrophobicContact CD2-CD1 4.46Å; V133-L149 HydrophobicContact CG1-CD1 4.01Å; S145-L149 PolarHBondContact O-N 2.79Å; S145-L149 VanDerWaalsContact O-N 3.16Å; S146-L149 WeakPolarHBondContact O-CB 3.35Å; S146-L149 PolarHBondContact O-N 3.48Å; S147-L149 VanDerWaalsContact C-N 3.29Å; S147-L149 PolarHBondContact O-N 2.85Å; L149-A153 VanDerWaalsContact O-CB 3.26Å; L149-A153 WeakPolarHBondContact O-CB 3.41Å; L149-A153 PolarHBondContact O-N 3.44Å
150V98.8Very high96Very high0 Ų08.2 Ų8.20%06%0.055CC..Hα-helixtrans-60.6-50175.5175.50000110.9Y109 C112 G113 S146 S147 A153 G154 C174 E178Y109-V150 HydrophobicContact CD1-CG2 4.18Å; Y109-V150 WeakPolarHBondContact O-CG2 3.07Å; C112-V150 HydrophobicContact CB-CG1 4.35Å; C112-V150 HydrophobicContact CB-CG2 4.14Å; G113-V150 WeakPolarHBondContact CA-O 3.24Å; S146-V150 WeakPolarHBondContact O-CG2 3.47Å; S146-V150 PolarHBondContact O-N 3.09Å; S147-V150 PolarHBondContact O-N 2.84Å; V150-A153 PolarHBondContact O-N 3.35Å; V150-G154 PolarHBondContact O-N 2.99Å; V150-C174 HydrophobicContact CG1-CB 3.99Å; V150-E178 HydrophobicContact CG1-CB 4.22Å; V150-E178 HydrophobicContact CG2-CB 4.11Å; V150-E178 HydrophobicContact CG2-CG 3.92Å
151C98.8Very high96.6Very high0 Ų09.7 Ų9.70%06%0.059CC..Hα-helixtrans-64-43.5-178.9-66.10000111.2A39 S147 G154 L155 Q190 F194A39-C151 HydrophobicContact CB-CB 4.03Å; S147-C151 VanDerWaalsContact O-CB 3.28Å; S147-C151 WeakPolarHBondContact O-CB 3.4Å; S147-C151 PolarHBondContact O-N 3.17Å; S147-C151 PolarHBondContact O-SG 2.62Å; C151-G154 PolarHBondContact O-N 3.2Å; C151-L155 WeakPolarHBondContact O-CB 3.04Å; C151-L155 PolarHBondContact O-N 3.5Å; C151-Q190 VanDerWaalsContact SG-CA 3.59Å; C151-F194 HydrophobicContact CB-CD2 4.3Å; C151-F194 HydrophobicContact CB-CE1 4.47Å; C151-F194 HydrophobicContact CB-CE2 3.49Å; C151-F194 VanDerWaalsContact CB-CE2 3.49Å; C151-F194 HydrophobicContact CB-CZ 3.59Å; C151-F194 WeakPolarHBondContact O-CZ 3.49Å; C151-F194 WeakPolarHBondContact SG-CE2 3.49Å
152C98.7Very high97Very high0 Ų012.9 Ų12.90%09%0.092CC..Hα-helixtrans-62.3-45.3176.3-159.70000110.9V37 A39 M66 I68 A148 G154 L155 V156V37-C152 PolarHBondContact O-SG 3.25Å; A39-C152 HydrophobicContact CB-CB 3.76Å; M66-C152 HydrophobicContact CB-CB 4.22Å; I68-C152 HydrophobicContact CD1-CB 3.88Å; I68-C152 VanDerWaalsContact CD1-SG 3.58Å; I68-C152 HydrophobicContact CG1-CB 4.41Å; I68-C152 VanDerWaalsContact CG1-SG 3.56Å; A148-C152 WeakPolarHBondContact O-CB 3.31Å; A148-C152 PolarHBondContact O-N 3.13Å; C152-G154 PolarHBondContact O-N 3.32Å; C152-L155 PolarHBondContact O-N 2.82Å; C152-V156 WeakPolarHBondContact O-CB 3.05Å; C152-V156 WeakPolarHBondContact O-CG2 3.23Å; C152-V156 PolarHBondContact O-N 3.41Å
153A98.8Very high97.4Very high0 Ų016.2 Ų16.20%011%0.108CC..Hα-helixtrans-64.6-37.6177.600000112.8F110 L149 V150 T157F110-A153 HydrophobicContact CB-CB 4.17Å; F110-A153 HydrophobicContact CD1-CB 4.04Å; F110-A153 HydrophobicContact CD2-CB 3.6Å; F110-A153 HydrophobicContact CE1-CB 4.29Å; F110-A153 HydrophobicContact CE2-CB 3.9Å; F110-A153 HydrophobicContact CG-CB 3.67Å; F110-A153 HydrophobicContact CZ-CB 4.23Å; F110-A153 WeakPolarHBondContact O-CB 3.43Å; L149-A153 VanDerWaalsContact O-CB 3.26Å; L149-A153 WeakPolarHBondContact O-CB 3.41Å; L149-A153 PolarHBondContact O-N 3.44Å; V150-A153 PolarHBondContact O-N 3.35Å; A153-T157 WeakPolarHBondContact O-CB 3.22Å; A153-T157 PolarHBondContact O-N 2.86Å; A153-T157 PolarHBondContact O-OG1 3.21Å
154G98.6Very high97.4Very high0 Ų020.8 Ų20.80%014%0.14CC..Hα-helixtrans-62-49.5173.200000111.8I117 V150 C151 C152 V156 T157 L158I117-G154 WeakPolarHBondContact CG1-O 3.38Å; V150-G154 PolarHBondContact O-N 2.99Å; C151-G154 PolarHBondContact O-N 3.2Å; C152-G154 PolarHBondContact O-N 3.32Å; G154-V156 PolarHBondContact O-N 2.74Å; G154-T157 PolarHBondContact O-N 3.44Å; G154-L158 WeakPolarHBondContact O-CB 3.48Å; G154-L158 PolarHBondContact O-N 3.01Å
155L98.6Very high97.5Very high4 Ų421.9 Ų21.92%0.02115%0.145CC..Hα-helixtrans-66.3-37.1178.2-177.756.1000112.5P6 V37 C151 C152 L158 T159 L170 F194 A451 V453P6-L155 HydrophobicContact CG-CD1 4.12Å; P6-L155 HydrophobicContact CG-CD2 4.43Å; V37-L155 HydrophobicContact CG1-CB 3.86Å; V37-L155 HydrophobicContact CG1-CD2 3.58Å; V37-L155 HydrophobicContact CG1-CG 3.67Å; C151-L155 WeakPolarHBondContact O-CB 3.04Å; C151-L155 PolarHBondContact O-N 3.5Å; C152-L155 PolarHBondContact O-N 2.82Å; L155-L158 HydrophobicContact CD1-CD2 4.38Å; L155-L158 PolarHBondContact O-N 2.99Å; L155-T159 WeakPolarHBondContact O-CB 3.35Å; L155-T159 PolarHBondContact O-N 3.21Å; L155-T159 PolarHBondContact O-OG1 3.07Å; L155-L170 HydrophobicContact CD1-CD1 4.13Å; L155-F194 HydrophobicContact CB-CE1 4.19Å; L155-F194 HydrophobicContact CD2-CE1 4.33Å; L155-A451 HydrophobicContact CD2-CB 4Å; L155-V453 HydrophobicContact CD1-CG2 4.07Å; L155-V453 HydrophobicContact CD2-CG2 4.08Å; L155-V453 HydrophobicContact CG-CG2 3.98Å
156V98.7Very high97.6Very high0 Ų022.7 Ų22.70%015%0.151CC..Hα-helixtrans-55.8-52.6169.3164.30000110.2V37 I68 V70 F110 M129 C152 G154 L158 T159 V160V37-V156 HydrophobicContact CB-CG2 3.64Å; V37-V156 HydrophobicContact CG1-CG2 4.25Å; V37-V156 HydrophobicContact CG2-CB 4.42Å; V37-V156 HydrophobicContact CG2-CG2 3.52Å; I68-V156 HydrophobicContact CB-CG2 4.14Å; I68-V156 HydrophobicContact CD1-CG2 4.31Å; I68-V156 HydrophobicContact CG2-CG2 4.19Å; V70-V156 HydrophobicContact CG1-CG1 4.04Å; V70-V156 HydrophobicContact CG2-CB 4.36Å; V70-V156 HydrophobicContact CG2-CG1 3.69Å; V70-V156 HydrophobicContact CG2-CG2 3.73Å; F110-V156 HydrophobicContact CZ-CG1 4.41Å; M129-V156 HydrophobicContact CE-CG1 4.49Å; M129-V156 HydrophobicContact SD-CG1 3.53Å; M129-V156 VanDerWaalsContact SD-CG1 3.53Å; C152-V156 WeakPolarHBondContact O-CB 3.05Å; C152-V156 WeakPolarHBondContact O-CG2 3.23Å; C152-V156 PolarHBondContact O-N 3.41Å; G154-V156 PolarHBondContact O-N 2.74Å; V156-L158 PolarHBondContact O-N 3.43Å; V156-T159 PolarHBondContact O-N 2.75Å; V156-T159 VanDerWaalsContact O-N 3.16Å; V156-V160 HydrophobicContact CG1-CG2 4.4Å; V156-V160 WeakPolarHBondContact O-CG2 3.25Å; V156-V160 PolarHBondContact O-N 2.76Å
157T98.4Very high97.7Very high0 Ų024.6 Ų24.60%016%0.156CC..Hα-helixtrans-61.2-45.3-177.4-54.50000111.6F114 I117 Q118 A153 G154 T159 V160 L161F114-T157 WeakPolarHBondContact CA-OG1 3.38Å; F114-T157 HydrophobicContact CD2-CG2 3.82Å; F114-T157 WeakPolarHBondContact CD2-OG1 3.23Å; F114-T157 HydrophobicContact CE2-CG2 4.18Å; F114-T157 HydrophobicContact CG-CG2 4.48Å; I117-T157 HydrophobicContact CB-CG2 3.98Å; I117-T157 HydrophobicContact CG2-CG2 3.92Å; Q118-T157 HydrophobicContact CG-CG2 4.37Å; A153-T157 WeakPolarHBondContact O-CB 3.22Å; A153-T157 PolarHBondContact O-N 2.86Å; A153-T157 PolarHBondContact O-OG1 3.21Å; G154-T157 PolarHBondContact O-N 3.44Å; T157-T159 VanDerWaalsContact C-N 3.31Å; T157-T159 PolarHBondContact O-N 3Å; T157-V160 PolarHBondContact O-N 3.11Å; T157-L161 HydrophobicContact CG2-CD1 4.1Å; T157-L161 WeakPolarHBondContact O-CB 3.28Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.19Å; T157-L161 PolarHBondContact O-N 3.44Å
158L98.1Very high97.6Very high10 Ų1026.7 Ų26.75%0.05217%0.169CC..Hα-helixtrans-57.4-45.4175.4-178.169.9000111.5I117 F121 G154 L155 V156 L161 G162 M163 L165 L170I117-L158 HydrophobicContact CG2-CB 4.38Å; F121-L158 HydrophobicContact CE2-CD1 3.77Å; F121-L158 HydrophobicContact CZ-CD1 4.08Å; G154-L158 WeakPolarHBondContact O-CB 3.48Å; G154-L158 PolarHBondContact O-N 3.01Å; L155-L158 HydrophobicContact CD1-CD2 4.38Å; L155-L158 PolarHBondContact O-N 2.99Å; V156-L158 PolarHBondContact O-N 3.43Å; L158-L161 PolarHBondContact O-N 2.96Å; L158-G162 PolarHBondContact O-N 2.93Å; L158-G162 VanDerWaalsContact O-N 3.16Å; L158-M163 HydrophobicContact CD1-CB 3.84Å; L158-M163 WeakPolarHBondContact CD1-O 3.37Å; L158-M163 WeakPolarHBondContact CG-O 3.46Å; L158-M163 PolarHBondContact O-N 3.42Å; L158-L165 HydrophobicContact CD1-CB 4.36Å; L158-L165 HydrophobicContact CD1-CD1 3.91Å; L158-L165 HydrophobicContact CD1-CG 3.84Å; L158-L165 HydrophobicContact CD2-CB 3.96Å; L158-L165 HydrophobicContact CD2-CD1 4.43Å; L158-L165 HydrophobicContact CD2-CG 4.33Å; L158-L170 HydrophobicContact CD2-CD1 4.02Å; L158-L170 HydrophobicContact CD2-CD2 4.02Å; L158-L170 HydrophobicContact CD2-CG 4.29Å
159T97.8Very high97.6Very high46 Ų4630.3 Ų30.328%0.28219%0.186SC..Hα-helixtrans-66.1-42.5-179.2-54.10000111.8F35 L155 V156 T157 L161 G162 V453F35-T159 HydrophobicContact CD1-CG2 4.42Å; F35-T159 HydrophobicContact CD2-CG2 3.97Å; F35-T159 HydrophobicContact CE1-CG2 4.09Å; F35-T159 HydrophobicContact CE2-CG2 3.59Å; F35-T159 HydrophobicContact CG-CG2 4.37Å; F35-T159 HydrophobicContact CZ-CG2 3.65Å; L155-T159 WeakPolarHBondContact O-CB 3.35Å; L155-T159 PolarHBondContact O-N 3.21Å; L155-T159 PolarHBondContact O-OG1 3.07Å; V156-T159 PolarHBondContact O-N 2.75Å; V156-T159 VanDerWaalsContact O-N 3.16Å; T157-T159 VanDerWaalsContact C-N 3.31Å; T157-T159 PolarHBondContact O-N 3Å; T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 2.88Å; T159-G162 PolarHBondContact O-N 2.94Å; T159-G162 VanDerWaalsContact O-N 3.16Å; T159-V453 HydrophobicContact CG2-CG1 4.2Å
160V97.7Very high97.6Very high31 Ų3129.9 Ų29.919%0.18818%0.184CC..Hα-helixtrans-63-38.4175.7177.70000111.4F35 V70 P72 T127 M129 V156 T157 G162F35-V160 HydrophobicContact CE1-CG2 4.09Å; F35-V160 HydrophobicContact CZ-CG2 3.68Å; V70-V160 HydrophobicContact CG1-CG2 3.95Å; P72-V160 HydrophobicContact CB-CG1 4Å; P72-V160 HydrophobicContact CG-CG1 4.17Å; P72-V160 HydrophobicContact CG-CG2 4.19Å; T127-V160 HydrophobicContact CG2-CB 3.99Å; T127-V160 HydrophobicContact CG2-CG1 3.33Å; M129-V160 HydrophobicContact SD-CG2 3.81Å; V156-V160 HydrophobicContact CG1-CG2 4.4Å; V156-V160 WeakPolarHBondContact O-CG2 3.25Å; V156-V160 PolarHBondContact O-N 2.76Å; T157-V160 PolarHBondContact O-N 3.11Å; V160-G162 PolarHBondContact O-N 2.93Å
161L96.2Very high97.6Very high45 Ų4529.9 Ų29.924%0.23618%0.184CC..Hα-helixtrans-69.8-18177.6-70.9172.1000113.2I117 L123 T127 T157 L158 T159 M163I117-L161 HydrophobicContact CG2-CD1 3.92Å; L123-L161 HydrophobicContact CD1-CD1 3.62Å; L123-L161 HydrophobicContact CD1-CD2 3.56Å; L123-L161 HydrophobicContact CD1-CG 4.24Å; T127-L161 HydrophobicContact CG2-CD2 4.05Å; T127-L161 HydrophobicContact CG2-CG 4.36Å; T127-L161 WeakPolarHBondContact OG1-CD2 3.15Å; T157-L161 HydrophobicContact CG2-CD1 4.1Å; T157-L161 WeakPolarHBondContact O-CB 3.28Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.19Å; T157-L161 PolarHBondContact O-N 3.44Å; L158-L161 PolarHBondContact O-N 2.96Å; T159-L161 VanDerWaalsContact C-N 3.3Å; T159-L161 PolarHBondContact O-N 2.88Å; L161-M163 HydrophobicContact CB-CB 4.35Å; L161-M163 HydrophobicContact CB-CG 4.06Å; L161-M163 HydrophobicContact CB-SD 4.14Å; L161-M163 HydrophobicContact CD1-SD 4.24Å; L161-M163 PolarHBondContact O-N 2.9Å
162G95.7Very high97.6Very high69 Ų6933.5 Ų33.571%0.71120%0.2SC*.THydrogen-bonded Turntrans64.327.7-174.500000112.8L158 T159 V160L158-G162 PolarHBondContact O-N 2.93Å; L158-G162 VanDerWaalsContact O-N 3.16Å; T159-G162 PolarHBondContact O-N 2.94Å; T159-G162 VanDerWaalsContact O-N 3.16Å; V160-G162 PolarHBondContact O-N 2.93Å
163M95.4Very high97.6Very high74 Ų7434.4 Ų34.437%0.36521%0.205SC..  trans-101.7164.5178.1-69.6176.9171.100110.4F121 L123 L158 L161F121-M163 HydrophobicContact CB-CE 4.38Å; F121-M163 HydrophobicContact CB-SD 3.96Å; F121-M163 HydrophobicContact CD1-CE 4.37Å; F121-M163 HydrophobicContact CD1-SD 3.54Å; F121-M163 VanDerWaalsContact CD1-SD 3.54Å; F121-M163 HydrophobicContact CD2-SD 3.46Å; F121-M163 WeakPolarHBondContact CD2-SD 3.2Å; F121-M163 HydrophobicContact CE1-CB 4.31Å; F121-M163 HydrophobicContact CE1-CG 4.49Å; F121-M163 HydrophobicContact CE1-SD 3.79Å; F121-M163 HydrophobicContact CE2-CB 4.02Å; F121-M163 HydrophobicContact CE2-SD 3.72Å; F121-M163 HydrophobicContact CG-CE 4.31Å; F121-M163 HydrophobicContact CG-SD 3.36Å; F121-M163 WeakPolarHBondContact CG-SD 3.38Å; F121-M163 HydrophobicContact CZ-CB 3.8Å; F121-M163 HydrophobicContact CZ-CG 4.38Å; F121-M163 HydrophobicContact CZ-SD 3.88Å; L123-M163 HydrophobicContact CD1-CE 4.36Å; L158-M163 HydrophobicContact CD1-CB 3.84Å; L158-M163 WeakPolarHBondContact CD1-O 3.37Å; L158-M163 WeakPolarHBondContact CG-O 3.46Å; L158-M163 PolarHBondContact O-N 3.42Å; L161-M163 HydrophobicContact CB-CB 4.35Å; L161-M163 HydrophobicContact CB-CG 4.06Å; L161-M163 HydrophobicContact CB-SD 4.14Å; L161-M163 HydrophobicContact CD1-SD 4.24Å; L161-M163 PolarHBondContact O-N 2.9Å
164S94.3Very high97.6Very high96 Ų9634.4 Ų34.467%0.67121%0.205SC*.  trans-118.9136.9-178.260.40000111.7
165L96.5Very high97.6Very high27 Ų2734.9 Ų34.914%0.14121%0.209CC..  trans-139.4150.4168.1-69.3174.4000108.7I117 H120 F121 L158 E169 L170 I173I117-L165 HydrophobicContact CD1-CD1 3.92Å; H120-L165 WeakPolarHBondContact NE2-CD2 3.26Å; F121-L165 HydrophobicContact CE1-CD2 4.49Å; F121-L165 HydrophobicContact CE2-CD1 4.02Å; F121-L165 HydrophobicContact CE2-CD2 4.47Å; F121-L165 HydrophobicContact CE2-CG 4.2Å; F121-L165 HydrophobicContact CZ-CD1 4.13Å; F121-L165 HydrophobicContact CZ-CD2 3.79Å; F121-L165 HydrophobicContact CZ-CG 3.82Å; L158-L165 HydrophobicContact CD1-CB 4.36Å; L158-L165 HydrophobicContact CD1-CD1 3.91Å; L158-L165 HydrophobicContact CD1-CG 3.84Å; L158-L165 HydrophobicContact CD2-CB 3.96Å; L158-L165 HydrophobicContact CD2-CD1 4.43Å; L158-L165 HydrophobicContact CD2-CG 4.33Å; L165-E169 HydrophobicContact CB-CB 4.23Å; L165-E169 HydrophobicContact CD2-CB 4.24Å; L165-L170 HydrophobicContact CB-CG 4.09Å; L165-L170 HydrophobicContact CD1-CD2 4.32Å; L165-L170 HydrophobicContact CD1-CG 4.48Å; L165-I173 HydrophobicContact CD1-CD1 3.63Å
166S96.8Very high97.6Very high37 Ų3741.1 Ų41.126%0.25924%0.236SC..  trans-68.3158.9168.6680000111.2V168 E169 L170S166-V168 PolarHBondContact O-N 3.38Å; S166-E169 VanDerWaalsContact CB-OE2 3.25Å; S166-E169 WeakPolarHBondContact CB-OE2 3.31Å; S166-E169 PolarHBondContact N-OE2 2.68Å; S166-E169 PolarHBondContact O-N 3.33Å; S166-E169 VanDerWaalsContact OG-CG 3.3Å; S166-E169 WeakPolarHBondContact OG-CG 2.97Å; S166-E169 PolarHBondContact OG-N 3.26Å; S166-E169 VanDerWaalsContact OG-N 3.12Å; S166-E169 PolarHBondContact OG-OE2 2.81Å; S166-L170 PolarHBondContact O-N 3.38Å
167K97.4Very high97.5Very high61 Ų6141.3 Ų41.327%0.26524%0.237SC..Hα-helixtrans-57.8-33.1172.8-70.2176.1171-174.10112.4A171 F194 L195K167-A171 WeakPolarHBondContact O-CB 3.12Å; K167-A171 PolarHBondContact O-N 3.25Å; K167-F194 HydrophobicContact CB-CB 4.23Å; K167-F194 WeakPolarHBondContact CD-O 3.43Å; K167-L195 HydrophobicContact CB-CD2 3.63Å
168V97.8Very high97.5Very high47 Ų4741.8 Ų41.829%0.28524%0.239SC..Hα-helixtrans-66.9-49.9177174.20000110.3S166 L170 A171 E172 L195 L209S166-V168 PolarHBondContact O-N 3.38Å; V168-L170 VanDerWaalsContact C-N 3.33Å; V168-L170 PolarHBondContact O-N 3.05Å; V168-A171 WeakPolarHBondContact O-CB 3.25Å; V168-A171 PolarHBondContact O-N 3.49Å; V168-E172 WeakPolarHBondContact O-CG 3.46Å; V168-E172 PolarHBondContact O-N 2.95Å; V168-L195 HydrophobicContact CG2-CD2 4.09Å; V168-L209 HydrophobicContact CG1-CB 4.08Å; V168-L209 HydrophobicContact CG1-CD2 4.04Å; V168-L209 HydrophobicContact CG1-CG 4.23Å
169E98.2Very high97.5Very high77 Ų7744.9 Ų44.936%0.3625%0.251SS..Hα-helixtrans-61.1-42.8177.4-72161.7125.500111.5L165 S166 A171 E172 I173L165-E169 HydrophobicContact CB-CB 4.23Å; L165-E169 HydrophobicContact CD2-CB 4.24Å; S166-E169 VanDerWaalsContact CB-OE2 3.25Å; S166-E169 WeakPolarHBondContact CB-OE2 3.31Å; S166-E169 PolarHBondContact N-OE2 2.68Å; S166-E169 PolarHBondContact O-N 3.33Å; S166-E169 VanDerWaalsContact OG-CG 3.3Å; S166-E169 WeakPolarHBondContact OG-CG 2.97Å; S166-E169 PolarHBondContact OG-N 3.26Å; S166-E169 VanDerWaalsContact OG-N 3.12Å; S166-E169 PolarHBondContact OG-OE2 2.81Å; E169-A171 PolarHBondContact O-N 3.09Å; E169-E172 PolarHBondContact O-N 3.27Å; E169-I173 HydrophobicContact CB-CD1 4.49Å; E169-I173 WeakPolarHBondContact O-CB 3.31Å; E169-I173 WeakPolarHBondContact O-CD1 3.05Å; E169-I173 WeakPolarHBondContact O-CG1 3.34Å; E169-I173 PolarHBondContact O-N 3.07Å
170L98.5Very high97.5Very high4 Ų446.3 Ų46.32%0.02125%0.251CS..Hα-helixtrans-57.9-45.8174.9-83.9166.9000112.2I117 L155 L158 L165 S166 V168 C174 F194I117-L170 HydrophobicContact CD1-CD2 3.84Å; L155-L170 HydrophobicContact CD1-CD1 4.13Å; L158-L170 HydrophobicContact CD2-CD1 4.02Å; L158-L170 HydrophobicContact CD2-CD2 4.02Å; L158-L170 HydrophobicContact CD2-CG 4.29Å; L165-L170 HydrophobicContact CB-CG 4.09Å; L165-L170 HydrophobicContact CD1-CD2 4.32Å; L165-L170 HydrophobicContact CD1-CG 4.48Å; S166-L170 PolarHBondContact O-N 3.38Å; V168-L170 VanDerWaalsContact C-N 3.33Å; V168-L170 PolarHBondContact O-N 3.05Å; L170-C174 VanDerWaalsContact O-CB 3.27Å; L170-C174 WeakPolarHBondContact O-CB 3.15Å; L170-C174 PolarHBondContact O-N 2.69Å; L170-C174 PolarHBondContact O-SG 2.8Å; L170-F194 HydrophobicContact CB-CD1 4.02Å; L170-F194 HydrophobicContact CB-CD2 4.01Å; L170-F194 HydrophobicContact CB-CE1 3.83Å; L170-F194 HydrophobicContact CB-CE2 3.8Å; L170-F194 HydrophobicContact CB-CG 4.12Å; L170-F194 HydrophobicContact CB-CZ 3.72Å; L170-F194 HydrophobicContact CD1-CD1 4.13Å; L170-F194 HydrophobicContact CD1-CE1 3.82Å; L170-F194 HydrophobicContact CD1-CZ 4.38Å; L170-F194 HydrophobicContact CD2-CE1 4.35Å; L170-F194 HydrophobicContact CD2-CZ 4.13Å; L170-F194 HydrophobicContact CG-CE1 4.23Å; L170-F194 HydrophobicContact CG-CZ 4.31Å
171A98.4Very high97.4Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-62-46.8176.100000112.2K167 V168 E169 C174 A175 F194 L209K167-A171 WeakPolarHBondContact O-CB 3.12Å; K167-A171 PolarHBondContact O-N 3.25Å; V168-A171 WeakPolarHBondContact O-CB 3.25Å; V168-A171 PolarHBondContact O-N 3.49Å; E169-A171 PolarHBondContact O-N 3.09Å; A171-C174 PolarHBondContact O-N 3.22Å; A171-A175 VanDerWaalsContact O-CB 3.23Å; A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 2.7Å; A171-F194 HydrophobicContact CB-CB 4.45Å; A171-F194 HydrophobicContact CB-CD2 4.01Å; A171-L209 HydrophobicContact CB-CD2 3.68Å
172E98.4Very high97.4Very high75 Ų7543.6 Ų43.635%0.3524%0.24SC..Hα-helixtrans-65.8-40.7-179.7-70.7-175.9157.500112.7V168 E169 K176 L209V168-E172 WeakPolarHBondContact O-CG 3.46Å; V168-E172 PolarHBondContact O-N 2.95Å; E169-E172 PolarHBondContact O-N 3.27Å; E172-K176 WeakPolarHBondContact O-CG 3.17Å; E172-K176 PolarHBondContact O-N 3.47Å; E172-L209 HydrophobicContact CG-CB 4.34Å; E172-L209 HydrophobicContact CG-CD2 3.86Å
173I98.6Very high97.4Very high20 Ų2041 Ų4110%0.10321%0.21CC..Hα-helixtrans-65.4-49.2176.8-68.6161.7000109.8I117 H120 L165 E169 A175 K176 S177I117-I173 HydrophobicContact CD1-CD1 4.48Å; I117-I173 HydrophobicContact CD1-CG2 4.13Å; H120-I173 HydrophobicContact CB-CD1 4.02Å; H120-I173 WeakPolarHBondContact ND1-CD1 3.49Å; L165-I173 HydrophobicContact CD1-CD1 3.63Å; E169-I173 HydrophobicContact CB-CD1 4.49Å; E169-I173 WeakPolarHBondContact O-CB 3.31Å; E169-I173 WeakPolarHBondContact O-CD1 3.05Å; E169-I173 WeakPolarHBondContact O-CG1 3.34Å; E169-I173 PolarHBondContact O-N 3.07Å; I173-A175 VanDerWaalsContact C-N 3.34Å; I173-A175 PolarHBondContact O-N 3.03Å; I173-K176 PolarHBondContact O-N 2.89Å; I173-S177 WeakPolarHBondContact O-CB 3.27Å; I173-S177 PolarHBondContact O-N 2.74Å; I173-S177 PolarHBondContact O-OG 2.81Å
174C98.7Very high97.4Very high0 Ų039.7 Ų39.70%020%0.203CC..Hα-helixtrans-65.8-36.1-179.2-67.40000112.1V150 L170 A171 K176 S177 E178 Q190 F194V150-C174 HydrophobicContact CG1-CB 3.99Å; L170-C174 VanDerWaalsContact O-CB 3.27Å; L170-C174 WeakPolarHBondContact O-CB 3.15Å; L170-C174 PolarHBondContact O-N 2.69Å; L170-C174 PolarHBondContact O-SG 2.8Å; A171-C174 PolarHBondContact O-N 3.22Å; C174-K176 VanDerWaalsContact C-N 3.31Å; C174-K176 PolarHBondContact O-N 3.44Å; C174-S177 PolarHBondContact O-N 3.16Å; C174-S177 PolarHBondContact O-OG 3.49Å; C174-E178 WeakPolarHBondContact O-CB 3.47Å; C174-E178 PolarHBondContact O-N 3.05Å; C174-Q190 HydrophobicContact CB-CB 4.14Å; C174-Q190 HydrophobicContact CB-CG 4.05Å; C174-F194 HydrophobicContact CB-CE2 4.26Å
175A98.5Very high97.4Very high10 Ų1035.8 Ų35.88%0.08318%0.178CC..Hα-helixtrans-62.3-39.4175.100000112.2A171 I173 Q190A171-A175 VanDerWaalsContact O-CB 3.23Å; A171-A175 WeakPolarHBondContact O-CB 3.41Å; A171-A175 PolarHBondContact O-N 2.7Å; I173-A175 VanDerWaalsContact C-N 3.34Å; I173-A175 PolarHBondContact O-N 3.03Å; A175-Q190 HydrophobicContact CB-CB 4.36Å; A175-Q190 HydrophobicContact CB-CG 4.23Å
176K98.4Very high97.5Very high135 Ų13534.8 Ų34.859%0.58717%0.174SC*.Hα-helixtrans-72.9-44.5175.1-69.3169.3-173.9168.20111.5E172 I173 C174 R179E172-K176 WeakPolarHBondContact O-CG 3.17Å; E172-K176 PolarHBondContact O-N 3.47Å; I173-K176 PolarHBondContact O-N 2.89Å; C174-K176 VanDerWaalsContact C-N 3.31Å; C174-K176 PolarHBondContact O-N 3.44Å; K176-R179 WeakPolarHBondContact O-CB 3.37Å; K176-R179 PolarHBondContact O-N 3.17Å
177S98.4Very high97.5Very high3 Ų333.5 Ų33.52%0.02117%0.167CC..Hα-helixtrans-74-28.5-173.478.80000113C112 I173 C174 R179 Y180C112-S177 WeakPolarHBondContact CB-O 3.46Å; C112-S177 WeakPolarHBondContact O-CB 3.1Å; C112-S177 PolarHBondContact O-OG 2.88Å; I173-S177 WeakPolarHBondContact O-CB 3.27Å; I173-S177 PolarHBondContact O-N 2.74Å; I173-S177 PolarHBondContact O-OG 2.81Å; C174-S177 PolarHBondContact O-N 3.16Å; C174-S177 PolarHBondContact O-OG 3.49Å; S177-R179 PolarHBondContact O-N 3.19Å; S177-Y180 VanDerWaalsContact O-CB 3.24Å; S177-Y180 WeakPolarHBondContact O-CB 3.32Å; S177-Y180 WeakPolarHBondContact O-CD2 3.46Å; S177-Y180 PolarHBondContact O-N 3.2Å
178E98.5Very high97.6Very high10 Ų1030.8 Ų30.85%0.04716%0.156CC..Hα-helixtrans-58.4-30.7172.6-173.2161.5-171.200111.5S146 S147 V150 C174 Y180 I181 Q190S146-E178 VanDerWaalsContact CB-OE1 3.29Å; S146-E178 WeakPolarHBondContact CB-OE1 3.34Å; S146-E178 PolarHBondContact OG-OE1 3.25Å; S147-E178 WeakPolarHBondContact CA-OE2 3.28Å; S147-E178 VanDerWaalsContact CB-OE2 3.29Å; S147-E178 WeakPolarHBondContact CB-OE2 3.49Å; S147-E178 PolarHBondContact N-OE1 3.05Å; S147-E178 VanDerWaalsContact OG-CD 3.3Å; S147-E178 PolarHBondContact OG-OE1 2.85Å; S147-E178 PolarHBondContact OG-OE2 2.85Å; V150-E178 HydrophobicContact CG1-CB 4.22Å; V150-E178 HydrophobicContact CG2-CB 4.11Å; V150-E178 HydrophobicContact CG2-CG 3.92Å; C174-E178 WeakPolarHBondContact O-CB 3.47Å; C174-E178 PolarHBondContact O-N 3.05Å; E178-Y180 PolarHBondContact O-N 2.67Å; E178-I181 WeakPolarHBondContact O-CB 3.5Å; E178-I181 WeakPolarHBondContact O-CG2 3.21Å; E178-I181 PolarHBondContact O-N 3.34Å; E178-Q190 PolarHBondContact OE2-NE2 2.84Å
179R97.6Very high97.6Very high76 Ų7629.8 Ų29.829%0.28715%0.149SC..G310 helixtrans-62.4-15.4175.6-53.2-170.2-179.7141.84113.8K176 S177 I181 G182 T183 G185K176-R179 WeakPolarHBondContact O-CB 3.37Å; K176-R179 PolarHBondContact O-N 3.17Å; S177-R179 PolarHBondContact O-N 3.19Å; R179-I181 PolarHBondContact O-N 2.71Å; R179-G182 PolarHBondContact O-N 3.1Å; R179-T183 WeakPolarHBondContact CA-O 3.37Å; R179-T183 WeakPolarHBondContact CB-O 3.48Å; R179-T183 WeakPolarHBondContact CG-O 3.47Å; R179-G185 PolarHBondContact NE-O 2.9Å; R179-G185 PolarHBondContact NH2-O 2.91Å
180Y97.6Very high97.7Very high76 Ų7626.6 Ų26.630%0.29813%0.133SC..G310 helixtrans-60.2-22.2169.1-70.3-49.5000113I99 K101 K115 E119 S177 E178 G182I99-Y180 HydrophobicContact CD1-CD2 4.25Å; I99-Y180 HydrophobicContact CD1-CG 4.12Å; I99-Y180 WeakPolarHBondContact CG2-O 3.43Å; K101-Y180 WeakPolarHBondContact CE-O 3.31Å; K101-Y180 WeakPolarHBondContact CG-O 3.15Å; K115-Y180 HydrophobicContact CD-CD2 4.09Å; K115-Y180 HydrophobicContact CD-CE2 3.94Å; K115-Y180 HydrophobicContact CG-CE2 4.12Å; E119-Y180 VanDerWaalsContact CD-OH 3.31Å; E119-Y180 PolarHBondContact OE1-OH 3.16Å; E119-Y180 WeakPolarHBondContact OE2-CE2 3.24Å; E119-Y180 PolarHBondContact OE2-OH 3.24Å; S177-Y180 VanDerWaalsContact O-CB 3.24Å; S177-Y180 WeakPolarHBondContact O-CB 3.32Å; S177-Y180 WeakPolarHBondContact O-CD2 3.46Å; S177-Y180 PolarHBondContact O-N 3.2Å; E178-Y180 PolarHBondContact O-N 2.67Å; Y180-G182 PolarHBondContact O-N 3.24Å
181I96.3Very high97.7Very high1 Ų126.5 Ų26.51%0.00513%0.133CC..G310 helixtrans-72.4-15.7173-151.768.9000113I99 P104 N108 Y109 E178 R179 T183 A234I99-I181 HydrophobicContact CG2-CD1 4.34Å; P104-I181 HydrophobicContact CB-CD1 3.99Å; P104-I181 HydrophobicContact CB-CG1 3.97Å; N108-I181 HydrophobicContact CB-CD1 3.43Å; N108-I181 VanDerWaalsContact CB-CD1 3.43Å; Y109-I181 HydrophobicContact CD1-CD1 4.41Å; Y109-I181 HydrophobicContact CD1-CG1 4.23Å; Y109-I181 HydrophobicContact CD2-CD1 4.31Å; Y109-I181 HydrophobicContact CE1-CB 4.21Å; Y109-I181 HydrophobicContact CE1-CD1 4.28Å; Y109-I181 HydrophobicContact CE1-CG1 3.71Å; Y109-I181 HydrophobicContact CE1-CG2 4.09Å; Y109-I181 HydrophobicContact CE2-CD1 4.18Å; Y109-I181 HydrophobicContact CE2-CG1 4.22Å; Y109-I181 HydrophobicContact CG-CD1 4.44Å; E178-I181 WeakPolarHBondContact O-CB 3.5Å; E178-I181 WeakPolarHBondContact O-CG2 3.21Å; E178-I181 PolarHBondContact O-N 3.34Å; R179-I181 PolarHBondContact O-N 2.71Å; I181-T183 HydrophobicContact CG2-CG2 4.02Å; I181-T183 WeakPolarHBondContact CG2-OG1 3.16Å; I181-A234 HydrophobicContact CG1-CB 3.89Å; I181-A234 HydrophobicContact CG2-CB 4.04Å
182G95.4Very high97.7Very high18 Ų1826.5 Ų26.519%0.18613%0.133CC..SBendtrans108.6-5.7179.600000115.3R179 Y180 N240R179-G182 PolarHBondContact O-N 3.1Å; Y180-G182 PolarHBondContact O-N 3.24Å; G182-N240 PolarHBondContact O-ND2 2.96Å
183T94.7Very high97.7Very high14 Ų1423 Ų239%0.08612%0.117CC..  trans-83.9134175.153.70000111.6R179 I181 G185 K233 A234R179-T183 WeakPolarHBondContact CA-O 3.37Å; R179-T183 WeakPolarHBondContact CB-O 3.48Å; R179-T183 WeakPolarHBondContact CG-O 3.47Å; I181-T183 HydrophobicContact CG2-CG2 4.02Å; I181-T183 WeakPolarHBondContact CG2-OG1 3.16Å; T183-G185 VanDerWaalsContact C-N 3.26Å; T183-G185 PolarHBondContact O-N 3.39Å; T183-K233 HydrophobicContact CG2-CB 4.01Å; T183-A234 HydrophobicContact CG2-CB 4.06Å
184E96.4Very high97.7Very high46 Ų4622.2 Ų22.222%0.21511%0.113CC..  trans-92.439.8179-66.6-63.9139.800112.4N240 V243E184-N240 PolarHBondContact N-OD1 3.36Å; E184-V243 HydrophobicContact CB-CB 4.31Å; E184-V243 HydrophobicContact CB-CG1 4.01Å; E184-V243 HydrophobicContact CB-CG2 4.26Å; E184-V243 WeakPolarHBondContact O-CG2 3.35Å
185G94.7Very high97.7Very high14 Ų1423.2 Ų23.214%0.14412%0.118CC..  trans-67.3166.2-175.500000115R179 T183 F239R179-G185 PolarHBondContact NE-O 2.9Å; R179-G185 PolarHBondContact NH2-O 2.91Å; T183-G185 VanDerWaalsContact C-N 3.26Å; T183-G185 PolarHBondContact O-N 3.39Å; G185-F239 VanDerWaalsContact CA-CE1 3.48Å
186G97.1Very high97.7Very high6 Ų622.9 Ų22.96%0.06212%0.115CC..  trans-82.3-154.3173.200000112D51D51-G186 WeakPolarHBondContact OD2-CA 3.37Å
187G98.2Very high97.6Very high10 Ų1021.1 Ų21.110%0.10311%0.109CC..SBendtrans-114.44.4-17500000114.7D51 D189 Q190 S191D51-G187 PolarHBondContact OD2-N 3.3Å; G187-D189 PolarHBondContact O-N 3.07Å; G187-Q190 VanDerWaalsContact C-OE1 3.29Å; G187-Q190 PolarHBondContact O-OE1 2.96Å; G187-S191 WeakPolarHBondContact O-CB 3.45Å; G187-S191 PolarHBondContact O-N 2.9Å; G187-S191 VanDerWaalsContact O-N 3.08Å; G187-S191 PolarHBondContact O-OG 2.88Å
188M98.8Very high97.5Very high5 Ų527.6 Ų27.63%0.02514%0.139CC..Hα-helixtrans-55.7-52.8-173.8172.717357.800112.1N44 D51 V57 P59 Q190 S191 I192 F206N44-M188 HydrophobicContact CB-CE 4.08Å; N44-M188 HydrophobicContact CB-SD 3.85Å; N44-M188 PolarHBondContact ND2-SD 2.78Å; N44-M188 VanDerWaalsContact ND2-SD 3.43Å; D51-M188 HydrophobicContact CB-CB 4.01Å; D51-M188 WeakPolarHBondContact OD2-CB 3.31Å; D51-M188 PolarHBondContact OD2-N 3.48Å; V57-M188 HydrophobicContact CB-CG 4.45Å; V57-M188 HydrophobicContact CB-SD 3.92Å; V57-M188 HydrophobicContact CG1-SD 4.27Å; V57-M188 HydrophobicContact CG2-CB 3.88Å; V57-M188 HydrophobicContact CG2-CG 3.62Å; V57-M188 HydrophobicContact CG2-SD 3.74Å; P59-M188 HydrophobicContact CB-CG 4.28Å; P59-M188 HydrophobicContact CB-SD 4.28Å; P59-M188 HydrophobicContact CG-CG 4.01Å; P59-M188 HydrophobicContact CG-SD 4.42Å; M188-Q190 PolarHBondContact O-N 3.46Å; M188-S191 PolarHBondContact O-N 3.45Å; M188-I192 WeakPolarHBondContact O-CG2 3.16Å; M188-I192 PolarHBondContact O-N 3.12Å; M188-F206 HydrophobicContact CB-CZ 4.36Å
189D98.7Very high97.4Very high26 Ų2629.9 Ų29.914%0.13917%0.165CC..Hα-helixtrans-66.3-44.9-166.6-64.67.1000111.6R42 S144 S147 G187 I192 S193R42-D189 IonicContact CZ-OD1 3.77Å; R42-D189 IonicContact CZ-OD2 3.22Å; R42-D189 IonicContact NE-OD1 2.76Å; R42-D189 PolarHBondContact NE-OD1 3.31Å; R42-D189 IonicContact NE-OD2 3.6Å; R42-D189 IonicContact NH2-OD1 3.85Å; R42-D189 PolarHBondContact NH2-OD1 3.06Å; R42-D189 IonicContact NH2-OD2 3.3Å; R42-D189 PolarHBondContact NH2-OD2 2.94Å; S144-D189 WeakPolarHBondContact CB-OD2 3.32Å; S144-D189 PolarHBondContact OG-OD1 2.94Å; S144-D189 PolarHBondContact OG-OD2 3.05Å; S147-D189 VanDerWaalsContact OG-CB 3.28Å; S147-D189 WeakPolarHBondContact OG-CB 3.43Å; G187-D189 PolarHBondContact O-N 3.07Å; D189-I192 WeakPolarHBondContact O-CG2 3.34Å; D189-S193 VanDerWaalsContact O-CB 3.3Å; D189-S193 WeakPolarHBondContact O-CB 3.33Å; D189-S193 PolarHBondContact O-N 3.38Å
190Q98.8Very high97.4Very high9 Ų927 Ų274%0.04216%0.156CC..Hα-helixtrans-71.6-40.8179.5-50.384.3-700110.3C151 C174 A175 E178 G187 M188 S193 F194C151-Q190 VanDerWaalsContact SG-CA 3.59Å; C174-Q190 HydrophobicContact CB-CB 4.14Å; C174-Q190 HydrophobicContact CB-CG 4.05Å; A175-Q190 HydrophobicContact CB-CB 4.36Å; A175-Q190 HydrophobicContact CB-CG 4.23Å; E178-Q190 PolarHBondContact OE2-NE2 2.84Å; G187-Q190 VanDerWaalsContact C-OE1 3.29Å; G187-Q190 PolarHBondContact O-OE1 2.96Å; M188-Q190 PolarHBondContact O-N 3.46Å; Q190-S193 PolarHBondContact O-N 3.06Å; Q190-F194 VanDerWaalsContact O-CD2 3.31Å; Q190-F194 WeakPolarHBondContact O-CD2 3.26Å; Q190-F194 PolarHBondContact O-N 2.96Å; Q190-F194 VanDerWaalsContact O-N 3.12Å
191S98.8Very high97.4Very high3 Ų323.4 Ų23.42%0.02114%0.142CC..Hα-helixtrans-58.7-52.3176.7-60.50000111.5G187 M188 S193 F194 L195 L209G187-S191 WeakPolarHBondContact O-CB 3.45Å; G187-S191 PolarHBondContact O-N 2.9Å; G187-S191 VanDerWaalsContact O-N 3.08Å; G187-S191 PolarHBondContact O-OG 2.88Å; M188-S191 PolarHBondContact O-N 3.45Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 3.38Å; S191-F194 PolarHBondContact O-N 2.99Å; S191-L195 WeakPolarHBondContact O-CB 3.5Å; S191-L195 VanDerWaalsContact O-CG 3.25Å; S191-L195 WeakPolarHBondContact O-CG 3.31Å; S191-L195 PolarHBondContact O-N 3.12Å; S191-L209 VanDerWaalsContact OG-CD1 3.28Å; S191-L209 WeakPolarHBondContact OG-CD1 3.33Å
192I98.8Very high97.6Very high0 Ų023.5 Ų23.50%014%0.143CC..Hα-helixtrans-68.8-30.1179.3-165.660.7000112R42 P59 M188 D189 F194 A196 K202 I204R42-I192 HydrophobicContact CB-CG2 3.46Å; R42-I192 VanDerWaalsContact CB-CG2 3.46Å; R42-I192 HydrophobicContact CG-CG2 3.57Å; P59-I192 HydrophobicContact CB-CB 4.18Å; P59-I192 HydrophobicContact CB-CG1 4Å; P59-I192 HydrophobicContact CB-CG2 4.19Å; P59-I192 HydrophobicContact CG-CB 3.74Å; P59-I192 HydrophobicContact CG-CD1 4.06Å; P59-I192 HydrophobicContact CG-CG1 3.81Å; P59-I192 HydrophobicContact CG-CG2 4.18Å; M188-I192 WeakPolarHBondContact O-CG2 3.16Å; M188-I192 PolarHBondContact O-N 3.12Å; D189-I192 WeakPolarHBondContact O-CG2 3.34Å; I192-F194 VanDerWaalsContact C-N 3.3Å; I192-F194 PolarHBondContact O-N 2.99Å; I192-A196 HydrophobicContact CD1-CB 3.87Å; I192-A196 HydrophobicContact CG1-CB 4.2Å; I192-A196 WeakPolarHBondContact O-CB 3.25Å; I192-A196 PolarHBondContact O-N 3.04Å; I192-K202 HydrophobicContact CD1-CB 3.94Å; I192-K202 HydrophobicContact CD1-CG 3.88Å; I192-I204 HydrophobicContact CD1-CD1 4.4Å
193S98.7Very high97.7Very high1 Ų123.1 Ų23.11%0.00714%0.136CC..Hα-helixtrans-62.2-38176.7-160.30000112P40 D189 Q190 S191 G450 A451P40-S193 WeakPolarHBondContact CD-O 3.41Å; P40-S193 WeakPolarHBondContact CD-OG 3.45Å; P40-S193 PolarHBondContact O-OG 2.96Å; D189-S193 VanDerWaalsContact O-CB 3.3Å; D189-S193 WeakPolarHBondContact O-CB 3.33Å; D189-S193 PolarHBondContact O-N 3.38Å; Q190-S193 PolarHBondContact O-N 3.06Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 3.38Å; S193-G450 CarbonylContact O-C 3.56Å; S193-G450 WeakPolarHBondContact O-CA 3.2Å; S193-A451 PolarHBondContact O-N 3.49Å
194F98.6Very high97.9Very high3 Ų322.4 Ų22.41%0.01313%0.132CC..Hα-helixtrans-88.2-38.3176.6-74-68.9000114.3C151 L155 K167 L170 A171 C174 Q190 S191 I192 A451C151-F194 HydrophobicContact CB-CD2 4.3Å; C151-F194 HydrophobicContact CB-CE1 4.47Å; C151-F194 HydrophobicContact CB-CE2 3.49Å; C151-F194 VanDerWaalsContact CB-CE2 3.49Å; C151-F194 HydrophobicContact CB-CZ 3.59Å; C151-F194 WeakPolarHBondContact O-CZ 3.49Å; C151-F194 WeakPolarHBondContact SG-CE2 3.49Å; L155-F194 HydrophobicContact CB-CE1 4.19Å; L155-F194 HydrophobicContact CD2-CE1 4.33Å; K167-F194 HydrophobicContact CB-CB 4.23Å; K167-F194 WeakPolarHBondContact CD-O 3.43Å; L170-F194 HydrophobicContact CB-CD1 4.02Å; L170-F194 HydrophobicContact CB-CD2 4.01Å; L170-F194 HydrophobicContact CB-CE1 3.83Å; L170-F194 HydrophobicContact CB-CE2 3.8Å; L170-F194 HydrophobicContact CB-CG 4.12Å; L170-F194 HydrophobicContact CB-CZ 3.72Å; L170-F194 HydrophobicContact CD1-CD1 4.13Å; L170-F194 HydrophobicContact CD1-CE1 3.82Å; L170-F194 HydrophobicContact CD1-CZ 4.38Å; L170-F194 HydrophobicContact CD2-CE1 4.35Å; L170-F194 HydrophobicContact CD2-CZ 4.13Å; L170-F194 HydrophobicContact CG-CE1 4.23Å; L170-F194 HydrophobicContact CG-CZ 4.31Å; A171-F194 HydrophobicContact CB-CB 4.45Å; A171-F194 HydrophobicContact CB-CD2 4.01Å; C174-F194 HydrophobicContact CB-CE2 4.26Å; Q190-F194 VanDerWaalsContact O-CD2 3.31Å; Q190-F194 WeakPolarHBondContact O-CD2 3.26Å; Q190-F194 PolarHBondContact O-N 2.96Å; Q190-F194 VanDerWaalsContact O-N 3.12Å; S191-F194 PolarHBondContact O-N 2.99Å; I192-F194 VanDerWaalsContact C-N 3.3Å; I192-F194 PolarHBondContact O-N 2.99Å; F194-A451 HydrophobicContact CD1-CB 3.69Å; F194-A451 HydrophobicContact CE1-CB 3.86Å
195L98.4Very high98Very high21 Ų2121.8 Ų21.811%0.1113%0.129CC..Hα-helixtrans-97.3-2.5-168.1-56.8172.9000114.2K167 V168 S191 K202 L209 A211K167-L195 HydrophobicContact CB-CD2 3.63Å; V168-L195 HydrophobicContact CG2-CD2 4.09Å; S191-L195 WeakPolarHBondContact O-CB 3.5Å; S191-L195 VanDerWaalsContact O-CG 3.25Å; S191-L195 WeakPolarHBondContact O-CG 3.31Å; S191-L195 PolarHBondContact O-N 3.12Å; L195-K202 WeakPolarHBondContact O-CE 3.46Å; L195-L209 HydrophobicContact CD1-CD1 4.29Å; L195-L209 HydrophobicContact CD1-CD2 4.17Å; L195-L209 HydrophobicContact CD1-CG 4.16Å; L195-A211 HydrophobicContact CB-CB 3.92Å; L195-A211 HydrophobicContact CD1-CB 3.93Å; L195-A211 HydrophobicContact CG-CB 4.49Å
196A98.4Very high98.2Very high3 Ų322.7 Ų22.73%0.02513%0.129CC..  trans-64.4147.8175.400000112.4A61 I192 G450A61-A196 HydrophobicContact CB-CB 3.39Å; I192-A196 HydrophobicContact CD1-CB 3.87Å; I192-A196 HydrophobicContact CG1-CB 4.2Å; I192-A196 WeakPolarHBondContact O-CB 3.25Å; I192-A196 PolarHBondContact O-N 3.04Å; A196-G450 PolarHBondContact O-N 3.36Å
197E97.6Very high97.8Very high99 Ų9927.3 Ų27.346%0.46316%0.16SC..BIsolated β-bridgetrans-133.5138175.7-70.6175.3173.900108.6G199 T200 K202 G448E197-G199 PolarHBondContact O-N 3.41Å; E197-T200 HydrophobicContact CB-CG2 4.06Å; E197-T200 PolarHBondContact O-N 3.4Å; E197-K202 VanDerWaalsContact CD-NZ 3.34Å; E197-K202 IonicContact OE2-NZ 2.72Å; E197-K202 PolarHBondContact OE2-NZ 3.07Å; E197-G448 CarbonylContact C-O 3.55Å
198E96.1Very high97.7Very high139 Ų13930.8 Ų30.865%0.6518%0.181SC*.THydrogen-bonded Turntrans-61.2134.1-176.2-171.6174-175.100110.6K446 P447E198-K446 IonicContact OE1-NZ 2.74Å; E198-K446 PolarHBondContact OE1-NZ 3.18Å; E198-K446 VanDerWaalsContact OE1-NZ 3.16Å; E198-P447 WeakPolarHBondContact CA-O 3.16Å
199G95.5Very high97.7Very high57 Ų5731.4 Ų31.459%0.58818%0.184SC*.THydrogen-bonded Turntrans90.2-7.5177.600000116E197 P447E197-G199 PolarHBondContact O-N 3.41Å; G199-P447 PolarHBondContact N-O 3.29Å
200T97.6Very high97.7Very high16 Ų1635.7 Ų35.710%0.09820%0.198CC..BIsolated β-bridgetrans-132.6140.7176-1740000113.2E197 K202 D213 V214 P447E197-T200 HydrophobicContact CB-CG2 4.06Å; E197-T200 PolarHBondContact O-N 3.4Å; T200-K202 HydrophobicContact CG2-CD 4.21Å; T200-D213 HydrophobicContact CG2-CB 4.46Å; T200-V214 PolarHBondContact OG1-N 3.5Å; T200-V214 PolarHBondContact OG1-O 3.35Å; T200-P447 WeakPolarHBondContact O-CB 3.27Å
201A98.6Very high97.6Very high0 Ų037 Ų370%021%0.211CC..EExtended strand (participates in β ladder)trans-74.3169.8160.900000109.6I45 L58 M60 V214 L216I45-A201 HydrophobicContact CD1-CB 3.92Å; L58-A201 HydrophobicContact CD2-CB 3.92Å; M60-A201 HydrophobicContact CB-CB 4.05Å; A201-V214 HydrophobicContact CB-CB 4.38Å; A201-V214 PolarHBondContact N-O 3.39Å; A201-V214 PolarHBondContact O-N 3.03Å; A201-L216 HydrophobicContact CB-CD1 4.12Å; A201-L216 HydrophobicContact CB-CD2 3.98Å; A201-L216 HydrophobicContact CB-CG 4.04Å
202K98.8Very high97.6Very high4 Ų439.6 Ų39.62%0.01723%0.227CC..EExtended strand (participates in β ladder)trans-128.6135.6176.4-57-66.4-169.2-171.10110.5L58 P59 I192 L195 E197 T200 I204 A211 T212 D213L58-K202 WeakPolarHBondContact CA-O 3.43Å; P59-K202 VanDerWaalsContact CD-O 3.31Å; P59-K202 WeakPolarHBondContact CD-O 3.21Å; P59-K202 PolarHBondContact O-N 3.41Å; I192-K202 HydrophobicContact CD1-CB 3.94Å; I192-K202 HydrophobicContact CD1-CG 3.88Å; L195-K202 WeakPolarHBondContact O-CE 3.46Å; E197-K202 VanDerWaalsContact CD-NZ 3.34Å; E197-K202 IonicContact OE2-NZ 2.72Å; E197-K202 PolarHBondContact OE2-NZ 3.07Å; T200-K202 HydrophobicContact CG2-CD 4.21Å; K202-I204 HydrophobicContact CB-CD1 3.75Å; K202-I204 HydrophobicContact CB-CG1 4.32Å; K202-I204 PolarHBondContact O-N 2.98Å; K202-A211 HydrophobicContact CB-CB 4.35Å; K202-A211 HydrophobicContact CD-CB 4.4Å; K202-A211 HydrophobicContact CG-CB 4.39Å; K202-T212 CarbonylContact C-O 3.47Å; K202-T212 VanDerWaalsContact CA-O 3.26Å; K202-T212 WeakPolarHBondContact CA-O 3.38Å; K202-D213 VanDerWaalsContact NZ-CG 3.31Å; K202-D213 IonicContact NZ-OD1 3.8Å; K202-D213 PolarHBondContact NZ-OD1 3.32Å; K202-D213 IonicContact NZ-OD2 2.69Å
203L98.9Very high97.6Very high9 Ų943.6 Ų43.65%0.04725%0.248CC..EExtended strand (participates in β ladder)trans-76.1112.2154.7-177.978.8000107V57 E205 A211 T212 V214 V341 K345V57-L203 CarbonylContact O-C 3.41Å; V57-L203 WeakPolarHBondContact O-CA 3.43Å; L203-E205 HydrophobicContact CD2-CG 3.93Å; L203-E205 HydrophobicContact CG-CG 4.19Å; L203-A211 WeakPolarHBondContact O-CA 3.36Å; L203-T212 PolarHBondContact N-O 3.05Å; L203-T212 PolarHBondContact O-N 3.45Å; L203-V214 HydrophobicContact CB-CG2 3.99Å; L203-V341 HydrophobicContact CD1-CG1 3.52Å; L203-K345 HydrophobicContact CB-CD 4.28Å; L203-K345 HydrophobicContact CD1-CD 4.49Å; L203-K345 HydrophobicContact CD2-CD 3.75Å; L203-K345 HydrophobicContact CG-CD 4.39Å
204I98.8Very high97.6Very high0 Ų043.7 Ų43.70%025%0.249CC..EExtended strand (participates in β ladder)trans-94.7120.7174.3-56.6-61.1000108.3S56 V57 P59 I192 K202 F206 L209 R210 A211S56-I204 CarbonylContact C-O 3.4Å; S56-I204 WeakPolarHBondContact CA-O 3.45Å; S56-I204 VanDerWaalsContact CB-O 3.31Å; S56-I204 WeakPolarHBondContact CB-O 3.39Å; V57-I204 HydrophobicContact CG2-CB 3.95Å; V57-I204 PolarHBondContact N-O 3.38Å; V57-I204 PolarHBondContact O-N 3.5Å; P59-I204 HydrophobicContact CG-CG1 3.81Å; I192-I204 HydrophobicContact CD1-CD1 4.4Å; K202-I204 HydrophobicContact CB-CD1 3.75Å; K202-I204 HydrophobicContact CB-CG1 4.32Å; K202-I204 PolarHBondContact O-N 2.98Å; I204-F206 HydrophobicContact CG2-CD1 4.47Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 4.47Å; I204-F206 HydrophobicContact CG2-CZ 3.73Å; I204-L209 HydrophobicContact CG2-CD1 3.77Å; I204-R210 WeakPolarHBondContact CA-O 3.41Å; I204-A211 HydrophobicContact CD1-CB 3.55Å
205E98.6Very high97.5Very high32 Ų3251.6 Ų51.615%0.1528%0.283CS..EExtended strand (participates in β ladder)trans-109.1151.8177.6-50.4171.27800109.1S56 L203 L209 R210S56-E205 WeakPolarHBondContact OG-CG 3.24Å; L203-E205 HydrophobicContact CD2-CG 3.93Å; L203-E205 HydrophobicContact CG-CG 4.19Å; E205-L209 VanDerWaalsContact O-CA 3.29Å; E205-L209 WeakPolarHBondContact O-CA 3.48Å; E205-L209 WeakPolarHBondContact O-CD1 3.33Å; E205-R210 HydrophobicContact CB-CB 4.27Å; E205-R210 VanDerWaalsContact CD-NH2 3.29Å; E205-R210 PolarHBondContact N-O 2.98Å; E205-R210 PolarHBondContact O-N 3.08Å; E205-R210 IonicContact OE1-CZ 3.62Å; E205-R210 IonicContact OE1-NH1 3.67Å; E205-R210 PolarHBondContact OE1-NH1 3.08Å; E205-R210 IonicContact OE1-NH2 3.91Å; E205-R210 PolarHBondContact OE1-NH2 3.21Å; E205-R210 IonicContact OE2-CZ 3.02Å; E205-R210 VanDerWaalsContact OE2-CZ 3.31Å; E205-R210 IonicContact OE2-NE 2.63Å; E205-R210 IonicContact OE2-NH1 3.22Å; E205-R210 PolarHBondContact OE2-NH1 3.1Å; E205-R210 IonicContact OE2-NH2 3.57Å
206F97.9Very high97.4Very high33 Ų3351.9 Ų51.915%0.14529%0.285CS..THydrogen-bonded Turntrans-118.5150.4-176.7-55-74.8000111.4D51 Y55 V57 M188 I204 P208 L209D51-F206 HydrophobicContact CB-CE2 3.64Å; D51-F206 HydrophobicContact CB-CZ 3.75Å; Y55-F206 WeakPolarHBondContact O-CD2 3.48Å; Y55-F206 WeakPolarHBondContact O-CE2 3.39Å; V57-F206 HydrophobicContact CG2-CE2 4.03Å; V57-F206 HydrophobicContact CG2-CZ 3.98Å; M188-F206 HydrophobicContact CB-CZ 4.36Å; I204-F206 HydrophobicContact CG2-CD1 4.47Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 4.47Å; I204-F206 HydrophobicContact CG2-CZ 3.73Å; F206-P208 CarbonylContact C-O 3.48Å; F206-L209 HydrophobicContact CD1-CD1 4.31Å; F206-L209 HydrophobicContact CE1-CD1 4.42Å
207S89.9Confident97Very high103 Ų10353.1 Ų53.172%0.7229%0.292SS*.THydrogen-bonded Turntrans54.262.7175-52.90000115.1
208P96.2Very high96.4Very high84 Ų8454.4 Ų54.455%0.54531%0.312SS..THydrogen-bonded Turncis-88.9155.111.633.9-35.3000113.4F206 R210F206-P208 CarbonylContact C-O 3.48Å; P208-R210 HydrophobicContact CG-CG 4.48Å; P208-R210 PolarHBondContact O-N 3.14Å
209L97.9Very high95.9Very high17 Ų1749.7 Ų49.79%0.08930%0.301CS..THydrogen-bonded Turntrans-64.6119.4175.1176.757.7000110.8V168 A171 E172 S191 L195 I204 E205 F206V168-L209 HydrophobicContact CG1-CB 4.08Å; V168-L209 HydrophobicContact CG1-CD2 4.04Å; V168-L209 HydrophobicContact CG1-CG 4.23Å; A171-L209 HydrophobicContact CB-CD2 3.68Å; E172-L209 HydrophobicContact CG-CB 4.34Å; E172-L209 HydrophobicContact CG-CD2 3.86Å; S191-L209 VanDerWaalsContact OG-CD1 3.28Å; S191-L209 WeakPolarHBondContact OG-CD1 3.33Å; L195-L209 HydrophobicContact CD1-CD1 4.29Å; L195-L209 HydrophobicContact CD1-CD2 4.17Å; L195-L209 HydrophobicContact CD1-CG 4.16Å; I204-L209 HydrophobicContact CG2-CD1 3.77Å; E205-L209 VanDerWaalsContact O-CA 3.29Å; E205-L209 WeakPolarHBondContact O-CA 3.48Å; E205-L209 WeakPolarHBondContact O-CD1 3.33Å; F206-L209 HydrophobicContact CD1-CD1 4.31Å; F206-L209 HydrophobicContact CE1-CD1 4.42Å
210R97.9Very high95.8Very high116 Ų11647.6 Ų47.644%0.43828%0.278SS..EExtended strand (participates in β ladder)trans-136150.9177.1-67.2173.6-73.91382110.2I204 E205 P208I204-R210 WeakPolarHBondContact CA-O 3.41Å; E205-R210 HydrophobicContact CB-CB 4.27Å; E205-R210 VanDerWaalsContact CD-NH2 3.29Å; E205-R210 PolarHBondContact N-O 2.98Å; E205-R210 PolarHBondContact O-N 3.08Å; E205-R210 IonicContact OE1-CZ 3.62Å; E205-R210 IonicContact OE1-NH1 3.67Å; E205-R210 PolarHBondContact OE1-NH1 3.08Å; E205-R210 IonicContact OE1-NH2 3.91Å; E205-R210 PolarHBondContact OE1-NH2 3.21Å; E205-R210 IonicContact OE2-CZ 3.02Å; E205-R210 VanDerWaalsContact OE2-CZ 3.31Å; E205-R210 IonicContact OE2-NE 2.63Å; E205-R210 IonicContact OE2-NH1 3.22Å; E205-R210 PolarHBondContact OE2-NH1 3.1Å; E205-R210 IonicContact OE2-NH2 3.57Å; P208-R210 HydrophobicContact CG-CG 4.48Å; P208-R210 PolarHBondContact O-N 3.14Å
211A98.4Very high95.7Very high37 Ų3748.5 Ų48.531%0.30628%0.283SS..EExtended strand (participates in β ladder)trans-128.4120.6173.100000108.8L195 K202 L203 I204L195-A211 HydrophobicContact CB-CB 3.92Å; L195-A211 HydrophobicContact CD1-CB 3.93Å; L195-A211 HydrophobicContact CG-CB 4.49Å; K202-A211 HydrophobicContact CB-CB 4.35Å; K202-A211 HydrophobicContact CD-CB 4.4Å; K202-A211 HydrophobicContact CG-CB 4.39Å; L203-A211 WeakPolarHBondContact O-CA 3.36Å; I204-A211 HydrophobicContact CD1-CB 3.55Å
212T98.6Very high95.6Very high57 Ų5748.8 Ų48.835%0.3529%0.285SS..EExtended strand (participates in β ladder)trans-118.1133.1-179.1-59.80000109.8K202 L203 V214K202-T212 CarbonylContact C-O 3.47Å; K202-T212 VanDerWaalsContact CA-O 3.26Å; K202-T212 WeakPolarHBondContact CA-O 3.38Å; L203-T212 PolarHBondContact N-O 3.05Å; L203-T212 PolarHBondContact O-N 3.45Å; T212-V214 PolarHBondContact O-N 3.22Å
213D98.6Very high95.6Very high85 Ų8548.6 Ų48.646%0.45528%0.284SS..EExtended strand (participates in β ladder)trans-59.7135.5-178.7-67.924.9000111.8T200 K202T200-D213 HydrophobicContact CG2-CB 4.46Å; K202-D213 VanDerWaalsContact NZ-CG 3.31Å; K202-D213 IonicContact NZ-OD1 3.8Å; K202-D213 PolarHBondContact NZ-OD1 3.32Å; K202-D213 IonicContact NZ-OD2 2.69Å
214V98.5Very high95.5Very high3 Ų348.2 Ų48.22%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-126.9109.2169.4-177.20000108L58 T200 A201 L203 T212 L216 K345 C348L58-V214 HydrophobicContact CD1-CG1 4.23Å; L58-V214 HydrophobicContact CD1-CG2 4.28Å; L58-V214 HydrophobicContact CD2-CB 4.37Å; L58-V214 HydrophobicContact CD2-CG1 4.34Å; L58-V214 HydrophobicContact CG-CG2 4.31Å; T200-V214 PolarHBondContact OG1-N 3.5Å; T200-V214 PolarHBondContact OG1-O 3.35Å; A201-V214 HydrophobicContact CB-CB 4.38Å; A201-V214 PolarHBondContact N-O 3.39Å; A201-V214 PolarHBondContact O-N 3.03Å; L203-V214 HydrophobicContact CB-CG2 3.99Å; T212-V214 PolarHBondContact O-N 3.22Å; V214-L216 PolarHBondContact O-N 2.89Å; V214-K345 HydrophobicContact CG2-CD 4.36Å; V214-K345 HydrophobicContact CG2-CG 4.23Å; V214-C348 HydrophobicContact CG1-CB 3.74Å
215K97.4Very high95.4Very high169 Ų16948.2 Ų48.274%0.73528%0.282SS*.PPolyproline II helixtrans-73.3120.1175.7-171.2178.5-179.4-177.20109.5C348K215-C348 WeakPolarHBondContact O-CB 3.28Å
216L95.9Very high95.2Very high27 Ų2747.1 Ų47.114%0.14128%0.277CS..PPolyproline II helixtrans-78.1153.7177.2-60.7175.8000110.8I45 M60 A201 V214 F222 F344 P447I45-L216 HydrophobicContact CD1-CD1 4.01Å; I45-L216 HydrophobicContact CD1-CD2 3.72Å; I45-L216 HydrophobicContact CD1-CG 4.49Å; M60-L216 HydrophobicContact SD-CD1 3.76Å; A201-L216 HydrophobicContact CB-CD1 4.12Å; A201-L216 HydrophobicContact CB-CD2 3.98Å; A201-L216 HydrophobicContact CB-CG 4.04Å; V214-L216 PolarHBondContact O-N 2.89Å; L216-F222 HydrophobicContact CB-CE2 4.27Å; L216-F222 HydrophobicContact CD1-CD2 3.92Å; L216-F222 HydrophobicContact CD1-CE2 3.66Å; L216-F222 HydrophobicContact CD2-CE2 3.96Å; L216-F222 HydrophobicContact CD2-CZ 4.29Å; L216-F222 HydrophobicContact CG-CE2 4.17Å; L216-F344 HydrophobicContact CD2-CE1 4.45Å; L216-P447 HydrophobicContact CD1-CG 3.79Å
217P90.3Very high95.1Very high28 Ų2845.8 Ų45.818%0.18227%0.272CS..PPolyproline II helixtrans-63.6136.2-178.127.1-37.2000112.2G219 V356 L359 I410P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.07Å; P217-V356 HydrophobicContact CB-CG2 4.02Å; P217-V356 HydrophobicContact CG-CG2 4.24Å; P217-L359 HydrophobicContact CG-CD1 3.79Å; P217-I410 HydrophobicContact CG-CD1 4.18Å
218S84.7Confident95.2Very high126 Ų12642.9 Ų42.988%0.88125%0.251SS*.THydrogen-bonded Turntrans-73.8-8.8-176.250.20000115.2
219G85.6Confident95Very high40 Ų4040.8 Ų40.841%0.41224%0.237SC..THydrogen-bonded Turntrans-100.54.8-178.300000115.3P217 T413P217-G219 VanDerWaalsContact C-N 3.26Å; P217-G219 PolarHBondContact O-N 3.07Å; G219-T413 PolarHBondContact O-N 3.48Å; G219-T413 PolarHBondContact O-OG1 3.46Å
220A92.9Very high94.6Very high14 Ų1446.7 Ų46.712%0.11626%0.264CS..EExtended strand (participates in β ladder)trans-140.9154.918000000111.9V356 I410 V411A220-V356 HydrophobicContact CB-CG1 3.84Å; A220-V356 HydrophobicContact CB-CG2 4.07Å; A220-I410 HydrophobicContact CB-CD1 4.04Å; A220-I410 HydrophobicContact CB-CG1 3.6Å; A220-V411 CarbonylContact C-O 3.48Å; A220-V411 VanDerWaalsContact CA-O 3.29Å; A220-V411 WeakPolarHBondContact CA-O 3.07Å
221V94.7Very high94.2Very high34 Ų3442.5 Ų42.521%0.20625%0.25CC..EExtended strand (participates in β ladder)trans-118.3143.1177-178.20000108.5V411 L416 A444V221-V411 PolarHBondContact N-O 3.46Å; V221-V411 PolarHBondContact O-N 2.84Å; V221-L416 HydrophobicContact CB-CD2 4.33Å; V221-L416 HydrophobicContact CG1-CD2 4.4Å; V221-L416 HydrophobicContact CG2-CD2 4.17Å; V221-A444 HydrophobicContact CG1-CB 3.81Å
222F97.6Very high93.8Very high7 Ų743.9 Ų43.93%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-85.9129.6170.9-73.2-86.1000109.6I45 M60 L216 F344 M363 V408 S409 I410 T445I45-F222 HydrophobicContact CD1-CZ 4.36Å; I45-F222 HydrophobicContact CG2-CE1 3.61Å; I45-F222 HydrophobicContact CG2-CZ 3.85Å; M60-F222 HydrophobicContact CE-CB 3.86Å; M60-F222 HydrophobicContact CE-CD2 4.31Å; M60-F222 HydrophobicContact CE-CG 4.18Å; L216-F222 HydrophobicContact CB-CE2 4.27Å; L216-F222 HydrophobicContact CD1-CD2 3.92Å; L216-F222 HydrophobicContact CD1-CE2 3.66Å; L216-F222 HydrophobicContact CD2-CE2 3.96Å; L216-F222 HydrophobicContact CD2-CZ 4.29Å; L216-F222 HydrophobicContact CG-CE2 4.17Å; F222-F344 HydrophobicContact CZ-CZ 4.29Å; F222-M363 HydrophobicContact CE1-CE 4.15Å; F222-M363 HydrophobicContact CE1-SD 4.04Å; F222-V408 HydrophobicContact CB-CG2 4.41Å; F222-V408 HydrophobicContact CD1-CG2 3.7Å; F222-V408 HydrophobicContact CG-CG2 4.49Å; F222-S409 CarbonylContact C-O 3.58Å; F222-S409 VanDerWaalsContact CA-O 3.28Å; F222-S409 WeakPolarHBondContact CA-O 3.44Å; F222-I410 HydrophobicContact CD1-CB 4.36Å; F222-I410 HydrophobicContact CE1-CB 3.94Å; F222-I410 HydrophobicContact CE1-CD1 4.48Å; F222-I410 HydrophobicContact CE1-CG1 4.34Å; F222-I410 HydrophobicContact CZ-CB 4.36Å; F222-I410 HydrophobicContact CZ-CD1 4.06Å; F222-I410 HydrophobicContact CZ-CG1 4.27Å; F222-T445 HydrophobicContact CB-CG2 4.04Å; F222-T445 WeakPolarHBondContact O-CG2 3.29Å; F222-T445 PolarHBondContact O-N 2.86Å
223V97.8Very high93.2Very high0 Ų043.1 Ų43.10%024%0.244CC..EExtended strand (participates in β ladder)trans-117.8129.1178.3-1740000109.2V408 S409 V411 L416 F419 L420 L442 F443 A444V223-V408 WeakPolarHBondContact O-CA 3.47Å; V223-S409 PolarHBondContact N-O 3.07Å; V223-S409 PolarHBondContact O-N 2.89Å; V223-V411 HydrophobicContact CB-CG2 4.27Å; V223-V411 HydrophobicContact CG2-CB 4.21Å; V223-V411 HydrophobicContact CG2-CG2 3.81Å; V223-L416 HydrophobicContact CG2-CD1 3.56Å; V223-F419 HydrophobicContact CB-CE1 3.91Å; V223-F419 HydrophobicContact CG1-CD1 4.4Å; V223-F419 HydrophobicContact CG1-CE1 3.69Å; V223-F419 HydrophobicContact CG2-CD1 4.38Å; V223-F419 HydrophobicContact CG2-CE1 4.15Å; V223-L420 HydrophobicContact CG1-CD2 3.85Å; V223-L442 HydrophobicContact CG1-CD1 3.78Å; V223-F443 WeakPolarHBondContact CG1-O 2.79Å; V223-A444 HydrophobicContact CG2-CB 4.45Å
224I97.5Very high92.5Very high0 Ų039.8 Ų39.80%023%0.228CC..EExtended strand (participates in β ladder)trans-93.8129.4174.1-53.3-56.5000108.4V43 L143 C406 T407 V408 L442 F443 T445V43-I224 HydrophobicContact CB-CD1 3.78Å; V43-I224 HydrophobicContact CG1-CD1 4.28Å; V43-I224 HydrophobicContact CG2-CD1 3.48Å; V43-I224 VanDerWaalsContact CG2-CD1 3.48Å; L143-I224 HydrophobicContact CD1-CG2 4.1Å; L143-I224 HydrophobicContact CD2-CG2 4.03Å; I224-C406 HydrophobicContact CG2-CB 3.85Å; I224-T407 WeakPolarHBondContact CA-O 3.13Å; I224-V408 HydrophobicContact CD1-CB 4.07Å; I224-V408 HydrophobicContact CD1-CG2 4.07Å; I224-L442 WeakPolarHBondContact O-CA 3.24Å; I224-F443 HydrophobicContact CB-CD1 4.35Å; I224-F443 HydrophobicContact CB-CD2 4.33Å; I224-F443 HydrophobicContact CB-CE1 3.92Å; I224-F443 HydrophobicContact CB-CE2 3.9Å; I224-F443 HydrophobicContact CB-CZ 3.68Å; I224-F443 HydrophobicContact CG1-CD2 4.41Å; I224-F443 HydrophobicContact CG1-CE2 3.78Å; I224-F443 HydrophobicContact CG1-CZ 3.9Å; I224-F443 HydrophobicContact CG2-CE1 3.93Å; I224-F443 HydrophobicContact CG2-CZ 3.82Å; I224-F443 PolarHBondContact N-O 3Å; I224-F443 PolarHBondContact O-N 2.88Å; I224-T445 HydrophobicContact CD1-CG2 4.07Å; I224-T445 HydrophobicContact CG1-CG2 3.8Å
225A96.4Very high91.7Very high0 Ų042.7 Ų42.70%025%0.252CS..EExtended strand (participates in β ladder)trans-129.4117.317300000109.7L384 C406 T407 S441 L442A225-L384 HydrophobicContact CB-CD1 4.1Å; A225-L384 HydrophobicContact CB-CD2 3.85Å; A225-L384 HydrophobicContact CB-CG 4.21Å; A225-L384 WeakPolarHBondContact O-CD2 3.31Å; A225-C406 CarbonylContact O-C 3.54Å; A225-C406 WeakPolarHBondContact O-CA 3.47Å; A225-T407 WeakPolarHBondContact CB-OG1 3.46Å; A225-T407 PolarHBondContact N-O 2.94Å; A225-T407 VanDerWaalsContact N-O 3.07Å; A225-T407 PolarHBondContact O-N 3.35Å; A225-T407 PolarHBondContact O-OG1 3.36Å; A225-S441 CarbonylContact C-O 3.53Å; A225-S441 VanDerWaalsContact CA-O 3.28Å; A225-S441 WeakPolarHBondContact CA-O 3.45Å; A225-L442 HydrophobicContact CB-CD1 3.6Å
226N95.1Very high91.2Very high9 Ų936.6 Ų36.65%0.04823%0.229CC..EExtended strand (participates in β ladder)trans-81129179.6-169.8-4.7000110.4C228 G405 C406 Y428 S441N226-C228 PolarHBondContact O-N 3.27Å; N226-C228 PolarHBondContact OD1-N 3.02Å; N226-G405 PolarHBondContact OD1-O 2.72Å; N226-C406 VanDerWaalsContact CB-SG 3.59Å; N226-Y428 PolarHBondContact N-OH 3.13Å; N226-Y428 VanDerWaalsContact N-OH 3.11Å; N226-Y428 VanDerWaalsContact O-CE1 3.25Å; N226-Y428 WeakPolarHBondContact O-CE1 3.23Å; N226-Y428 PolarHBondContact O-OH 3.48Å; N226-S441 PolarHBondContact N-O 3.1Å
227S94.6Very high91Very high5 Ų537.1 Ų37.14%0.03524%0.235CC..  trans-69.8-10.9173.775.40000113.1V229 G405 Y427S227-V229 PolarHBondContact O-N 2.76Å; S227-V229 WeakPolarHBondContact OG-CB 3.41Å; S227-V229 PolarHBondContact OG-N 3.3Å; S227-G405 VanDerWaalsContact CB-O 3.23Å; S227-G405 WeakPolarHBondContact CB-O 3.39Å; S227-G405 PolarHBondContact N-O 2.87Å; S227-G405 PolarHBondContact OG-N 3.01Å; S227-G405 PolarHBondContact OG-O 3.34Å; S227-Y427 VanDerWaalsContact CA-OH 3.23Å; S227-Y427 WeakPolarHBondContact CA-OH 3.41Å; S227-Y427 WeakPolarHBondContact CB-OH 3.43Å; S227-Y427 PolarHBondContact O-OH 2.86Å
228C91.8Very high91.1Very high42 Ų4239.7 Ų39.728%0.28425%0.245SC..SBendtrans63.610.4-173.1-57.30000113.8N226N226-C228 PolarHBondContact O-N 3.27Å; N226-C228 PolarHBondContact OD1-N 3.02Å
229V92.1Very high91.7Very high41 Ų4134.9 Ų34.925%0.24821%0.208CC..  trans-91.4109.8168.6-179.10000108.1S227 E380 G404 G405S227-V229 PolarHBondContact O-N 2.76Å; S227-V229 WeakPolarHBondContact OG-CB 3.41Å; S227-V229 PolarHBondContact OG-N 3.3Å; V229-E380 HydrophobicContact CG2-CB 3.73Å; V229-E380 HydrophobicContact CG2-CG 3.53Å; V229-G404 CarbonylContact O-C 3.54Å; V229-G404 WeakPolarHBondContact O-CA 3.39Å; V229-G405 PolarHBondContact O-N 3.19Å
230E90.9Very high92.2Very high140 Ų14033.1 Ų33.165%0.65419%0.189SC*.  trans-75.5133.3176.9-67-172.3179.400111.3
231M89.4Confident92.5Very high28 Ų2833 Ų3314%0.13819%0.187CC..  trans-125.6109.8171.4-179.95268.200110.8G140 T236 W403G140-M231 PolarHBondContact O-N 3.33Å; M231-T236 HydrophobicContact SD-CG2 4.09Å; M231-W403 HydrophobicContact CE-CB 3.58Å; M231-W403 WeakPolarHBondContact CE-O 3.43Å; M231-W403 HydrophobicContact CG-CB 4.1Å; M231-W403 HydrophobicContact SD-CB 4.47Å
232N89Confident92.7Very high66 Ų6632.5 Ų32.535%0.35318%0.181SC..  trans-90.1108172.2-173.3-17.2000110.3A234 A235 T236N232-A234 VanDerWaalsContact C-N 3.33Å; N232-A234 PolarHBondContact O-N 3.19Å; N232-A234 PolarHBondContact OD1-N 2.59Å; N232-A234 VanDerWaalsContact OD1-N 3.09Å; N232-A235 HydrophobicContact CB-CB 3.97Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 PolarHBondContact OD1-N 3.1Å; N232-T236 PolarHBondContact O-N 3.34Å; N232-T236 PolarHBondContact O-OG1 2.87Å
233K87.2Confident92.7Very high41 Ų4132.5 Ų32.518%0.17818%0.182CC..G310 helixtrans-65.9-35.2-176.2-58.784.1168.7178.20112.4T183 A235 T236 F239 A401T183-K233 HydrophobicContact CG2-CB 4.01Å; K233-A235 VanDerWaalsContact C-N 3.27Å; K233-A235 PolarHBondContact O-N 3.02Å; K233-T236 VanDerWaalsContact O-O 3.06Å; K233-F239 HydrophobicContact CB-CB 4.45Å; K233-A401 HydrophobicContact CD-CB 4.39Å; K233-A401 HydrophobicContact CG-CB 3.92Å
234A84.1Confident92.7Very high15 Ų1532.5 Ų32.512%0.12418%0.182CC..G310 helixtrans-75.6-19.7-179.300000112.4P104 Y109 I181 T183 N232P104-A234 HydrophobicContact CB-CB 3.76Å; P104-A234 HydrophobicContact CG-CB 3.91Å; Y109-A234 WeakPolarHBondContact OH-CB 3.43Å; I181-A234 HydrophobicContact CG1-CB 3.89Å; I181-A234 HydrophobicContact CG2-CB 4.04Å; T183-A234 HydrophobicContact CG2-CB 4.06Å; N232-A234 VanDerWaalsContact C-N 3.33Å; N232-A234 PolarHBondContact O-N 3.19Å; N232-A234 PolarHBondContact OD1-N 2.59Å; N232-A234 VanDerWaalsContact OD1-N 3.09Å
235A81.1Confident92.8Very high64 Ų6432.8 Ų32.853%0.52918%0.183SC..G310 helixtrans-92.5-6.8-179.500000113.7P104 N232 K233P104-A235 HydrophobicContact CG-CB 4.28Å; N232-A235 HydrophobicContact CB-CB 3.97Å; N232-A235 PolarHBondContact O-N 3.41Å; N232-A235 PolarHBondContact OD1-N 3.1Å; K233-A235 VanDerWaalsContact C-N 3.27Å; K233-A235 PolarHBondContact O-N 3.02Å
236T86.5Confident92.9Very high41 Ų4132.9 Ų32.925%0.25218%0.184SC..  trans-130.1158.6-176.260.70000111.2M231 N232 K233M231-T236 HydrophobicContact SD-CG2 4.09Å; N232-T236 PolarHBondContact O-N 3.34Å; N232-T236 PolarHBondContact O-OG1 2.87Å; K233-T236 VanDerWaalsContact O-O 3.06Å
237S91.1Very high93.1Very high38 Ų3835.2 Ų35.227%0.26619%0.192SC..SBendtrans-85-21.1178.959.90000113.4F239 N240 V241 N318S237-F239 VanDerWaalsContact C-N 3.26Å; S237-F239 PolarHBondContact O-N 3.4Å; S237-N240 PolarHBondContact O-N 2.91Å; S237-V241 WeakPolarHBondContact O-CG2 3.35Å; S237-V241 PolarHBondContact O-N 2.75Å; S237-N318 WeakPolarHBondContact CB-O 3.44Å
238H93.5Very high93.3Very high83 Ų8335 Ų3538%0.38419%0.19SC..Hα-helixtrans-45-47.1-170.2-61.6-53.4000114R242 W403H238-R242 WeakPolarHBondContact O-CG 3.17Å; H238-R242 PolarHBondContact O-N 3.2Å; H238-W403 HydrophobicContact CB-CD2 4Å; H238-W403 HydrophobicContact CB-CE3 4.2Å; H238-W403 HydrophobicContact CB-CH2 4.08Å; H238-W403 HydrophobicContact CB-CZ2 3.86Å; H238-W403 HydrophobicContact CB-CZ3 4.23Å
239F96Very high93.6Very high24 Ų2433 Ų3311%0.10518%0.177CC..Hα-helixtrans-64.1-51.1180-172.9-86.6000112.1H49 Y52 G185 K233 S237 V241 R242 V243 A401 W403H49-F239 AromaticContact CE1-CD2 3.96Å; H49-F239 AromaticContact CE1-CE2 3.95Å; Y52-F239 HydrophobicContact CD1-CZ 4.02Å; Y52-F239 HydrophobicContact CE1-CE1 4.42Å; Y52-F239 HydrophobicContact CE1-CE2 4.22Å; Y52-F239 AromaticContact CE1-CZ 3.74Å; Y52-F239 HydrophobicContact CE1-CZ 3.74Å; G185-F239 VanDerWaalsContact CA-CE1 3.48Å; K233-F239 HydrophobicContact CB-CB 4.45Å; S237-F239 VanDerWaalsContact C-N 3.26Å; S237-F239 PolarHBondContact O-N 3.4Å; F239-V241 VanDerWaalsContact C-N 3.32Å; F239-V241 PolarHBondContact O-N 3.17Å; F239-R242 WeakPolarHBondContact O-CB 3.12Å; F239-R242 PolarHBondContact O-N 3.01Å; F239-V243 HydrophobicContact CD1-CG2 4.1Å; F239-V243 HydrophobicContact CE1-CG2 3.73Å; F239-V243 HydrophobicContact CZ-CG2 4.44Å; F239-V243 WeakPolarHBondContact O-CG2 3.48Å; F239-V243 PolarHBondContact O-N 2.76Å; F239-A401 HydrophobicContact CD2-CB 3.92Å; F239-A401 HydrophobicContact CE2-CB 4.24Å; F239-W403 HydrophobicContact CB-CZ3 4.2Å; F239-W403 HydrophobicContact CD2-CZ3 4.26Å
240N97.6Very high94Very high4 Ų431 Ų312%0.02117%0.165CC..Hα-helixtrans-67.6-33.1-178.6-72-1.3000112.1G182 E184 S237 R242 V243 M244 N318 T319G182-N240 PolarHBondContact O-ND2 2.96Å; E184-N240 PolarHBondContact N-OD1 3.36Å; S237-N240 PolarHBondContact O-N 2.91Å; N240-R242 VanDerWaalsContact C-N 3.28Å; N240-R242 PolarHBondContact O-N 3.34Å; N240-V243 PolarHBondContact O-N 3.3Å; N240-M244 WeakPolarHBondContact O-CG 3.2Å; N240-M244 PolarHBondContact O-N 3.43Å; N240-N318 PolarHBondContact ND2-ND2 3.22Å; N240-N318 VanDerWaalsContact ND2-ND2 3.19Å; N240-N318 PolarHBondContact ND2-OD1 3.34Å; N240-T319 HydrophobicContact CB-CG2 3.86Å
241V98.3Very high94.4Very high10 Ų1024.9 Ų24.96%0.06114%0.136CC..Hα-helixtrans-55.9-46.5173174.40000110S237 F239 V243 M244 E245 T319 E322S237-V241 WeakPolarHBondContact O-CG2 3.35Å; S237-V241 PolarHBondContact O-N 2.75Å; F239-V241 VanDerWaalsContact C-N 3.32Å; F239-V241 PolarHBondContact O-N 3.17Å; V241-V243 PolarHBondContact O-N 2.84Å; V241-M244 PolarHBondContact O-N 3.26Å; V241-E245 HydrophobicContact CG1-CG 4.37Å; V241-E245 WeakPolarHBondContact O-CG 3.27Å; V241-E245 PolarHBondContact O-N 2.77Å; V241-T319 HydrophobicContact CG2-CG2 3.9Å; V241-E322 HydrophobicContact CG1-CG 4.49Å; V241-E322 HydrophobicContact CG2-CG 3.82Å; V241-E322 WeakPolarHBondContact CG2-OE1 3.42Å
242R98.6Very high94.8Very high24 Ų2424 Ų249%0.09113%0.132CC..Hα-helixtrans-63.2-40177.5-69.3-67.5171.4-79-11.4113.1H238 F239 N240 M244 E245 C246 Y374 E375 W403H238-R242 WeakPolarHBondContact O-CG 3.17Å; H238-R242 PolarHBondContact O-N 3.2Å; F239-R242 WeakPolarHBondContact O-CB 3.12Å; F239-R242 PolarHBondContact O-N 3.01Å; N240-R242 VanDerWaalsContact C-N 3.28Å; N240-R242 PolarHBondContact O-N 3.34Å; R242-M244 VanDerWaalsContact C-N 3.33Å; R242-E245 VanDerWaalsContact CD-OE2 3.27Å; R242-E245 WeakPolarHBondContact CD-OE2 3.35Å; R242-E245 IonicContact CZ-OE2 2.86Å; R242-E245 IonicContact NE-OE2 3.14Å; R242-E245 IonicContact NH1-OE1 3.79Å; R242-E245 IonicContact NH1-OE2 3.69Å; R242-E245 PolarHBondContact NH1-OE2 2.84Å; R242-E245 PolarHBondContact O-N 2.71Å; R242-C246 PolarHBondContact O-N 3.46Å; R242-C246 PolarHBondContact O-SG 3.15Å; R242-Y374 HydrophobicContact CB-CE1 3.61Å; R242-Y374 VanDerWaalsContact CD-CE1 3.47Å; R242-Y374 HydrophobicContact CG-CD1 4.16Å; R242-Y374 HydrophobicContact CG-CE1 3.56Å; R242-Y374 PolarHBondContact NE-O 2.87Å; R242-Y374 PolarHBondContact NH2-O 3.15Å; R242-E375 PolarHBondContact NH2-O 3.02Å; R242-W403 HydrophobicContact CG-CH2 3.92Å; R242-W403 HydrophobicContact CG-CZ2 3.87Å
243V98.6Very high95.3Very high7 Ų720.8 Ų20.84%0.04212%0.115CC..Hα-helixtrans-61.5-43.7174.2-1770000110.5Y52 E184 F239 N240 V241 C246 R247Y52-V243 HydrophobicContact CD1-CG2 4.15Å; Y52-V243 HydrophobicContact CD2-CB 4.41Å; Y52-V243 HydrophobicContact CD2-CG1 4.17Å; Y52-V243 HydrophobicContact CD2-CG2 4.02Å; Y52-V243 HydrophobicContact CE1-CG2 4.04Å; Y52-V243 HydrophobicContact CE2-CB 4.37Å; Y52-V243 HydrophobicContact CE2-CG2 3.94Å; Y52-V243 HydrophobicContact CG-CG2 4.1Å; E184-V243 HydrophobicContact CB-CB 4.31Å; E184-V243 HydrophobicContact CB-CG1 4.01Å; E184-V243 HydrophobicContact CB-CG2 4.26Å; E184-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 HydrophobicContact CD1-CG2 4.1Å; F239-V243 HydrophobicContact CE1-CG2 3.73Å; F239-V243 HydrophobicContact CZ-CG2 4.44Å; F239-V243 WeakPolarHBondContact O-CG2 3.48Å; F239-V243 PolarHBondContact O-N 2.76Å; N240-V243 PolarHBondContact O-N 3.3Å; V241-V243 PolarHBondContact O-N 2.84Å; V243-C246 PolarHBondContact O-N 3.12Å; V243-R247 WeakPolarHBondContact O-CB 3.44Å; V243-R247 PolarHBondContact O-N 2.85Å
244M98.6Very high95.8Very high1 Ų118.9 Ų18.91%0.00511%0.107CC..Hα-helixtrans-66.8-43.4178.1-66.2-52.194.900112.1N240 V241 R242 C246 R247 L248 I314 L315 S316 T319N240-M244 WeakPolarHBondContact O-CG 3.2Å; N240-M244 PolarHBondContact O-N 3.43Å; V241-M244 PolarHBondContact O-N 3.26Å; R242-M244 VanDerWaalsContact C-N 3.33Å; M244-C246 VanDerWaalsContact C-N 3.29Å; M244-C246 PolarHBondContact O-N 3.33Å; M244-R247 PolarHBondContact O-N 2.85Å; M244-L248 WeakPolarHBondContact O-CB 3.38Å; M244-L248 WeakPolarHBondContact O-CD1 3.33Å; M244-L248 WeakPolarHBondContact O-CG 3.49Å; M244-L248 PolarHBondContact O-N 2.55Å; M244-I314 VanDerWaalsContact SD-O 3.36Å; M244-L315 HydrophobicContact CB-CD2 4.18Å; M244-L315 HydrophobicContact CG-CD2 4.19Å; M244-S316 PolarHBondContact SD-N 3.45Å; M244-T319 HydrophobicContact CG-CG2 3.93Å; M244-T319 WeakPolarHBondContact CG-OG1 3.2Å
245E98.9Very high96.5Very high5 Ų522.6 Ų22.62%0.02312%0.12CC..Hα-helixtrans-57-42.6175-72.6176.3131.400111.3V241 R242 A249 F325 K326 L327 R330V241-E245 HydrophobicContact CG1-CG 4.37Å; V241-E245 WeakPolarHBondContact O-CG 3.27Å; V241-E245 PolarHBondContact O-N 2.77Å; R242-E245 VanDerWaalsContact CD-OE2 3.27Å; R242-E245 WeakPolarHBondContact CD-OE2 3.35Å; R242-E245 IonicContact CZ-OE2 2.86Å; R242-E245 IonicContact NE-OE2 3.14Å; R242-E245 IonicContact NH1-OE1 3.79Å; R242-E245 IonicContact NH1-OE2 3.69Å; R242-E245 PolarHBondContact NH1-OE2 2.84Å; R242-E245 PolarHBondContact O-N 2.71Å; E245-A249 VanDerWaalsContact O-CB 3.26Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.77Å; E245-F325 HydrophobicContact CG-CB 4.1Å; E245-F325 HydrophobicContact CG-CD1 3.97Å; E245-K326 WeakPolarHBondContact OE1-CB 3.47Å; E245-K326 PolarHBondContact OE1-N 2.98Å; E245-L327 WeakPolarHBondContact O-CD2 3.32Å; E245-R330 HydrophobicContact CB-CB 4.32Å; E245-R330 HydrophobicContact CB-CG 3.6Å; E245-R330 HydrophobicContact CG-CG 4.32Å; E245-R330 IonicContact OE1-CZ 3.49Å; E245-R330 IonicContact OE1-NE 3.98Å; E245-R330 PolarHBondContact OE1-NE 3.49Å; E245-R330 IonicContact OE1-NH2 3.55Å; E245-R330 PolarHBondContact OE1-NH2 3.23Å; E245-R330 WeakPolarHBondContact OE2-CG 3.47Å; E245-R330 IonicContact OE2-CZ 3.07Å; E245-R330 IonicContact OE2-NE 2.71Å; E245-R330 PolarHBondContact OE2-NE 3Å; E245-R330 IonicContact OE2-NH2 2.88Å
246C98.9Very high97.3Very high2 Ų224 Ų241%0.01412%0.116CC..Hα-helixtrans-67.5-41.8176.8-63.40000112.6Y52 R242 V243 M244 A249 A250 L267 Y374Y52-C246 HydrophobicContact CE2-CB 4.43Å; R242-C246 PolarHBondContact O-N 3.46Å; R242-C246 PolarHBondContact O-SG 3.15Å; V243-C246 PolarHBondContact O-N 3.12Å; M244-C246 VanDerWaalsContact C-N 3.29Å; M244-C246 PolarHBondContact O-N 3.33Å; C246-A249 PolarHBondContact O-N 3.09Å; C246-A250 WeakPolarHBondContact O-CB 3.24Å; C246-A250 PolarHBondContact O-N 3.27Å; C246-L267 HydrophobicContact CB-CD1 3.93Å; C246-Y374 PolarHBondContact SG-OH 3.4Å
247R98.8Very high97.9Very high59 Ų5925.6 Ų25.622%0.22312%0.119CC..Hα-helixtrans-62.4-43.3176.9-178174-65.3166.93.8111.5V243 M244 A250 K251V243-R247 WeakPolarHBondContact O-CB 3.44Å; V243-R247 PolarHBondContact O-N 2.85Å; M244-R247 PolarHBondContact O-N 2.85Å; R247-A250 PolarHBondContact O-N 2.97Å; R247-K251 WeakPolarHBondContact O-CG 3.13Å; R247-K251 PolarHBondContact O-N 2.91Å
248L98.9Very high98.2Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-66.9-43.8177.2-69.7166.8000111.1M244 A250 K251 V252 I299 L310 I314 L315 F325 L327M244-L248 WeakPolarHBondContact O-CB 3.38Å; M244-L248 WeakPolarHBondContact O-CD1 3.33Å; M244-L248 WeakPolarHBondContact O-CG 3.49Å; M244-L248 PolarHBondContact O-N 2.55Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 2.69Å; L248-K251 PolarHBondContact O-N 2.96Å; L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 2.69Å; L248-I299 HydrophobicContact CD1-CD1 3.99Å; L248-I299 HydrophobicContact CD2-CG2 3.91Å; L248-L310 HydrophobicContact CD2-CD1 3.78Å; L248-I314 HydrophobicContact CD2-CG2 3.74Å; L248-I314 HydrophobicContact CG-CG2 4.46Å; L248-L315 HydrophobicContact CD1-CD2 4.13Å; L248-F325 HydrophobicContact CD1-CD1 3.55Å; L248-F325 HydrophobicContact CD1-CD2 4.34Å; L248-F325 HydrophobicContact CD1-CE1 3.75Å; L248-F325 HydrophobicContact CD1-CG 3.87Å; L248-F325 HydrophobicContact CD1-CZ 4.25Å; L248-L327 HydrophobicContact CB-CD2 3.63Å
249A98.9Very high98.4Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-58.1-45.7174.500000111.2E245 C246 K251 V252 L253 L267 L289 L327 A331E245-A249 VanDerWaalsContact O-CB 3.26Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 2.77Å; C246-A249 PolarHBondContact O-N 3.09Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 3.16Å; A249-V252 PolarHBondContact O-N 2.91Å; A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.46Å; A249-L253 WeakPolarHBondContact O-CD1 3.36Å; A249-L253 WeakPolarHBondContact O-CG 3.4Å; A249-L253 PolarHBondContact O-N 2.9Å; A249-L267 HydrophobicContact CB-CD2 4.06Å; A249-L289 HydrophobicContact CB-CD1 4.06Å; A249-L327 HydrophobicContact CB-CB 3.95Å; A249-L327 HydrophobicContact CB-CD2 4.39Å; A249-A331 HydrophobicContact CB-CB 4.27Å
250A98.9Very high98.5Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-59.7-43.4176.700000112.5C246 R247 L248 A254 V264 R266 L267 V270C246-A250 WeakPolarHBondContact O-CB 3.24Å; C246-A250 PolarHBondContact O-N 3.27Å; R247-A250 PolarHBondContact O-N 2.97Å; L248-A250 VanDerWaalsContact C-N 3.33Å; L248-A250 PolarHBondContact O-N 2.69Å; A250-A254 VanDerWaalsContact O-CB 3.24Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.86Å; A250-V264 HydrophobicContact CB-CG1 3.8Å; A250-R266 VanDerWaalsContact CB-C 3.44Å; A250-R266 WeakPolarHBondContact CB-O 3.41Å; A250-L267 HydrophobicContact CB-CD2 3.83Å; A250-L267 HydrophobicContact CB-CG 4.12Å; A250-V270 HydrophobicContact CB-CG2 4.01Å; A250-V270 WeakPolarHBondContact O-CG2 3.48Å
251K98.8Very high98.5Very high10 Ų1031.5 Ų31.54%0.04316%0.161CC..Hα-helixtrans-64.2-45.5177.4-74.6-178.8171.5-59.20112.3R247 L248 A249 A254 K255 W261 D262 V264 L303 I314R247-K251 WeakPolarHBondContact O-CG 3.13Å; R247-K251 PolarHBondContact O-N 2.91Å; L248-K251 PolarHBondContact O-N 2.96Å; A249-K251 VanDerWaalsContact C-N 3.34Å; A249-K251 PolarHBondContact O-N 3.16Å; K251-A254 PolarHBondContact O-N 3.48Å; K251-K255 WeakPolarHBondContact O-CB 3.36Å; K251-K255 PolarHBondContact O-N 3.04Å; K251-W261 HydrophobicContact CB-CE3 3.92Å; K251-W261 HydrophobicContact CD-CE3 3.92Å; K251-W261 HydrophobicContact CD-CZ3 4.02Å; K251-W261 HydrophobicContact CG-CE3 3.97Å; K251-W261 PolarHBondContact NZ-O 3Å; K251-W261 VanDerWaalsContact O-CB 3.28Å; K251-W261 WeakPolarHBondContact O-CB 3.49Å; K251-D262 PolarHBondContact NZ-O 3Å; K251-V264 VanDerWaalsContact CE-O 3.23Å; K251-V264 WeakPolarHBondContact CE-O 3.35Å; K251-V264 WeakPolarHBondContact CG-O 3.21Å; K251-V264 PolarHBondContact NZ-O 3.5Å; K251-L303 HydrophobicContact CB-CD1 4.32Å; K251-L303 HydrophobicContact CB-CD2 4.05Å; K251-I314 HydrophobicContact CD-CD1 4.26Å
252V98.8Very high98.4Very high9 Ų935.2 Ų35.26%0.05518%0.181CC..Hα-helixtrans-66.1-43.2178.2176.10000110.8L248 A249 A254 K255 H256 L289 C302 L303 L327L248-V252 WeakPolarHBondContact O-CG2 3.34Å; L248-V252 PolarHBondContact O-N 2.69Å; A249-V252 PolarHBondContact O-N 2.91Å; V252-A254 PolarHBondContact O-N 3.46Å; V252-K255 WeakPolarHBondContact O-CB 3.37Å; V252-K255 PolarHBondContact O-N 3.43Å; V252-H256 WeakPolarHBondContact O-CB 3.45Å; V252-H256 PolarHBondContact O-N 3.09Å; V252-L289 HydrophobicContact CB-CD2 4.01Å; V252-L289 HydrophobicContact CG1-CD2 3.54Å; V252-C302 HydrophobicContact CG2-CB 4.41Å; V252-L303 HydrophobicContact CG2-CD2 3.94Å; V252-L303 HydrophobicContact CG2-CG 4.36Å; V252-L327 HydrophobicContact CG2-CD1 4.06Å
253L98.8Very high98.2Very high0 Ų040.4 Ų40.40%020%0.204CC..Hα-helixtrans-59.5-46.9175.3-72.9168.2000112A249 K255 H256 K257 L267 V270 V284 A288 L289 A331 Y335A249-L253 VanDerWaalsContact O-CB 3.31Å; A249-L253 WeakPolarHBondContact O-CB 3.46Å; A249-L253 WeakPolarHBondContact O-CD1 3.36Å; A249-L253 WeakPolarHBondContact O-CG 3.4Å; A249-L253 PolarHBondContact O-N 2.9Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.58Å; L253-H256 PolarHBondContact O-N 3.1Å; L253-K257 PolarHBondContact O-N 3.36Å; L253-L267 HydrophobicContact CD1-CD2 3.75Å; L253-V270 HydrophobicContact CB-CG1 4.06Å; L253-V270 HydrophobicContact CB-CG2 4.46Å; L253-V284 HydrophobicContact CD2-CG1 4.1Å; L253-A288 HydrophobicContact CD2-CB 3.59Å; L253-L289 HydrophobicContact CD1-CD1 4.28Å; L253-L289 HydrophobicContact CD2-CD1 4.14Å; L253-L289 HydrophobicContact CD2-CG 3.97Å; L253-L289 HydrophobicContact CG-CD1 4.06Å; L253-L289 HydrophobicContact CG-CD2 4.46Å; L253-L289 HydrophobicContact CG-CG 4.25Å; L253-A331 HydrophobicContact CD1-CB 4.43Å; L253-Y335 HydrophobicContact CD1-CE2 4.02Å; L253-Y335 WeakPolarHBondContact CD1-OH 3.31Å
254A98.8Very high98.2Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-58.9-45.5176.600000111.3A250 K251 V252 K257 G258 L259 W261 V264 V270A250-A254 VanDerWaalsContact O-CB 3.24Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.86Å; K251-A254 PolarHBondContact O-N 3.48Å; V252-A254 PolarHBondContact O-N 3.46Å; A254-K257 CarbonylContact O-C 3.55Å; A254-K257 PolarHBondContact O-N 3.07Å; A254-G258 PolarHBondContact O-N 3.03Å; A254-L259 HydrophobicContact CB-CB 4.07Å; A254-L259 HydrophobicContact CB-CD1 4.49Å; A254-L259 WeakPolarHBondContact O-CA 3.45Å; A254-L259 WeakPolarHBondContact O-CB 3.39Å; A254-L259 PolarHBondContact O-N 3.35Å; A254-W261 HydrophobicContact CB-CB 3.77Å; A254-V264 HydrophobicContact CB-CB 4.25Å; A254-V264 HydrophobicContact CB-CG1 4.34Å; A254-V264 HydrophobicContact CB-CG2 3.86Å; A254-V270 HydrophobicContact CB-CG2 4.29Å
255K98.4Very high98.2Very high94 Ų9443.7 Ų43.741%0.40922%0.221SC..Hα-helixtrans-60.7-48.1177-175.880.1-179.6-164.10111.5K251 V252 L253 K257 G258 W261 L303K251-K255 WeakPolarHBondContact O-CB 3.36Å; K251-K255 PolarHBondContact O-N 3.04Å; V252-K255 WeakPolarHBondContact O-CB 3.37Å; V252-K255 PolarHBondContact O-N 3.43Å; L253-K255 VanDerWaalsContact C-N 3.33Å; L253-K255 PolarHBondContact O-N 2.58Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.22Å; K255-G258 PolarHBondContact O-N 3.14Å; K255-W261 HydrophobicContact CB-CB 4.2Å; K255-W261 HydrophobicContact CB-CG 4.15Å; K255-W261 HydrophobicContact CD-CG 4.06Å; K255-L303 HydrophobicContact CB-CD2 4.37Å
256H98.1Very high98.2Very high94 Ų9447 Ų4744%0.43523%0.233SC..Hα-helixtrans-59.7-37.2-179.4-17580.1000112.4V252 L253 G258 D287 A288V252-H256 WeakPolarHBondContact O-CB 3.45Å; V252-H256 PolarHBondContact O-N 3.09Å; L253-H256 PolarHBondContact O-N 3.1Å; H256-G258 VanDerWaalsContact C-N 3.32Å; H256-G258 PolarHBondContact O-N 3.16Å; H256-D287 IonicContact CD2-OD2 3.74Å; H256-D287 IonicContact NE2-OD2 3.31Å; H256-D287 PolarHBondContact NE2-OD2 3.39Å; H256-A288 HydrophobicContact CB-CB 4.05Å; H256-A288 WeakPolarHBondContact CD2-CB 3.48Å
257K98.1Very high98.2Very high73 Ų7347 Ų4732%0.31723%0.233SC..THydrogen-bonded Turntrans-89.413.1176.2-61.2-61.1-177.1-165.10114.3L253 A254 K255 L259 L274 V284 D287L253-K257 PolarHBondContact O-N 3.36Å; A254-K257 CarbonylContact O-C 3.55Å; A254-K257 PolarHBondContact O-N 3.07Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.22Å; K257-L259 VanDerWaalsContact C-N 3.32Å; K257-L259 PolarHBondContact O-N 3.3Å; K257-L274 HydrophobicContact CB-CD1 4.32Å; K257-L274 HydrophobicContact CB-CD2 3.82Å; K257-L274 HydrophobicContact CG-CD1 4Å; K257-L274 HydrophobicContact CG-CD2 4.3Å; K257-V284 HydrophobicContact CD-CG1 4.42Å; K257-V284 VanDerWaalsContact CE-CG1 3.41Å; K257-V284 HydrophobicContact CG-CG1 4.17Å; K257-D287 IonicContact NZ-OD2 3.16Å; K257-D287 PolarHBondContact NZ-OD2 3.33Å
258G97.6Very high98.2Very high71 Ų7146.5 Ų46.573%0.73223%0.233SC*.THydrogen-bonded Turntrans72.918.3174.500000115.3A254 K255 H256A254-G258 PolarHBondContact O-N 3.03Å; K255-G258 PolarHBondContact O-N 3.14Å; H256-G258 VanDerWaalsContact C-N 3.32Å; H256-G258 PolarHBondContact O-N 3.16Å
259L98Very high98.2Very high43 Ų4348.2 Ų48.223%0.22524%0.241CC..  trans-85.7160.6176.6-55.3178.8000111.9A254 K257 W261 V270 K273 L274A254-L259 HydrophobicContact CB-CB 4.07Å; A254-L259 HydrophobicContact CB-CD1 4.49Å; A254-L259 WeakPolarHBondContact O-CA 3.45Å; A254-L259 WeakPolarHBondContact O-CB 3.39Å; A254-L259 PolarHBondContact O-N 3.35Å; K257-L259 VanDerWaalsContact C-N 3.32Å; K257-L259 PolarHBondContact O-N 3.3Å; L259-W261 VanDerWaalsContact C-N 3.31Å; L259-W261 PolarHBondContact O-N 2.82Å; L259-V270 HydrophobicContact CD1-CG1 4.42Å; L259-K273 HydrophobicContact CD1-CB 3.7Å; L259-K273 HydrophobicContact CD1-CD 4.2Å; L259-K273 HydrophobicContact CD2-CB 4.39Å; L259-L274 HydrophobicContact CD1-CD2 3.87Å; L259-L274 HydrophobicContact CD1-CG 4.05Å; L259-L274 HydrophobicContact CD2-CD2 4.26Å; L259-L274 HydrophobicContact CG-CD2 4.23Å
260Q97.6Very high98.2Very high122 Ų12248.2 Ų48.257%0.5724%0.241SC*.  trans-69.784.1170.9-71.9-171.70.100111D262Q260-D262 VanDerWaalsContact C-N 3.29Å; Q260-D262 PolarHBondContact O-N 3.24Å
261W98.1Very high98.2Very high37 Ų3749.7 Ų49.714%0.1425%0.248CC..G310 helixtrans-67.4-23.8-175.671.3-86.3000114.2K251 A254 K255 L259 K263 V264 L303 I305 I314K251-W261 HydrophobicContact CB-CE3 3.92Å; K251-W261 HydrophobicContact CD-CE3 3.92Å; K251-W261 HydrophobicContact CD-CZ3 4.02Å; K251-W261 HydrophobicContact CG-CE3 3.97Å; K251-W261 PolarHBondContact NZ-O 3Å; K251-W261 VanDerWaalsContact O-CB 3.28Å; K251-W261 WeakPolarHBondContact O-CB 3.49Å; A254-W261 HydrophobicContact CB-CB 3.77Å; K255-W261 HydrophobicContact CB-CB 4.2Å; K255-W261 HydrophobicContact CB-CG 4.15Å; K255-W261 HydrophobicContact CD-CG 4.06Å; L259-W261 VanDerWaalsContact C-N 3.31Å; L259-W261 PolarHBondContact O-N 2.82Å; W261-K263 PolarHBondContact O-N 3.46Å; W261-V264 PolarHBondContact O-N 2.56Å; W261-V264 VanDerWaalsContact O-N 3.08Å; W261-L303 HydrophobicContact CD2-CD2 3.96Å; W261-L303 HydrophobicContact CE3-CD1 4.25Å; W261-L303 HydrophobicContact CE3-CD2 3.85Å; W261-L303 HydrophobicContact CE3-CG 4.43Å; W261-L303 HydrophobicContact CG-CD2 4.49Å; W261-L303 HydrophobicContact CH2-CB 3.86Å; W261-L303 HydrophobicContact CH2-CD1 4.34Å; W261-L303 HydrophobicContact CZ2-CB 3.96Å; W261-L303 VanDerWaalsContact CZ2-O 3.3Å; W261-L303 WeakPolarHBondContact CZ2-O 3.36Å; W261-L303 HydrophobicContact CZ3-CB 4.15Å; W261-L303 HydrophobicContact CZ3-CD1 3.88Å; W261-L303 HydrophobicContact CZ3-CD2 4.22Å; W261-L303 HydrophobicContact CZ3-CG 4.31Å; W261-I305 HydrophobicContact CH2-CG2 3.61Å; W261-I305 HydrophobicContact CZ2-CG2 3.97Å; W261-I314 HydrophobicContact CZ3-CD1 4.46Å
262D96.3Very high98.1Very high88 Ų8853.4 Ų53.447%0.47127%0.272SS..G310 helixtrans-59.7-37.5-17857.3-65.5000111.4K251 Q260K251-D262 PolarHBondContact NZ-O 3Å; Q260-D262 VanDerWaalsContact C-N 3.29Å; Q260-D262 PolarHBondContact O-N 3.24Å
263K95.4Very high98.1Very high133 Ų13358.6 Ų58.658%0.57829%0.294SS*.G310 helixtrans-85.4-13.9177.1-63.3175.2-172158.90114.3W261W261-K263 PolarHBondContact O-N 3.46Å
264V98.1Very high98.1Very high0 Ų061 Ų610%031%0.306CS..  trans-76.3127.2-178.5172.80000109.7A250 K251 A254 W261 E269 V270 K273A250-V264 HydrophobicContact CB-CG1 3.8Å; K251-V264 VanDerWaalsContact CE-O 3.23Å; K251-V264 WeakPolarHBondContact CE-O 3.35Å; K251-V264 WeakPolarHBondContact CG-O 3.21Å; K251-V264 PolarHBondContact NZ-O 3.5Å; A254-V264 HydrophobicContact CB-CB 4.25Å; A254-V264 HydrophobicContact CB-CG1 4.34Å; A254-V264 HydrophobicContact CB-CG2 3.86Å; W261-V264 PolarHBondContact O-N 2.56Å; W261-V264 VanDerWaalsContact O-N 3.08Å; V264-E269 WeakPolarHBondContact CA-OE2 3.37Å; V264-E269 HydrophobicContact CG1-CB 4.47Å; V264-V270 HydrophobicContact CG1-CG2 3.81Å; V264-K273 HydrophobicContact CG2-CD 4.29Å
265L98Very high98.1Very high78 Ų7864.3 Ų64.341%0.40834%0.341SS..  trans-117.1-21.1178.2-65.1178.8000113.2E269L265-E269 PolarHBondContact N-OE2 3.44Å
266R98.7Very high98.1Very high75 Ų7561.7 Ų61.728%0.28333%0.332SS..SBendtrans-135153.5-169.6-62.6-175-177.185.5-4.7112.7Y52 C53 A250 E269Y52-R266 WeakPolarHBondContact O-CD 3.4Å; Y52-R266 WeakPolarHBondContact O-CG 3.34Å; Y52-R266 PolarHBondContact O-NE 2.95Å; C53-R266 WeakPolarHBondContact O-CB 3.15Å; A250-R266 VanDerWaalsContact CB-C 3.44Å; A250-R266 WeakPolarHBondContact CB-O 3.41Å; R266-E269 HydrophobicContact CB-CG 4.04Å; R266-E269 IonicContact NH1-OE1 2.7Å; R266-E269 PolarHBondContact NH1-OE1 3.25Å; R266-E269 WeakPolarHBondContact O-CB 3.42Å; R266-E269 PolarHBondContact O-N 2.97Å
267L98.9Very high98.1Very high0 Ų059.2 Ų59.20%033%0.326CS..Hα-helixtrans-67.1-37178.2-71.7168000112.2C53 Y55 C246 A249 A250 L253 E269 V270 Q271 A331 V334 Y335C53-L267 HydrophobicContact CB-CB 4.35Å; Y55-L267 HydrophobicContact CE2-CB 4.27Å; C246-L267 HydrophobicContact CB-CD1 3.93Å; A249-L267 HydrophobicContact CB-CD2 4.06Å; A250-L267 HydrophobicContact CB-CD2 3.83Å; A250-L267 HydrophobicContact CB-CG 4.12Å; L253-L267 HydrophobicContact CD1-CD2 3.75Å; L267-E269 VanDerWaalsContact C-N 3.3Å; L267-E269 PolarHBondContact O-N 2.7Å; L267-V270 WeakPolarHBondContact O-CB 3.43Å; L267-V270 PolarHBondContact O-N 2.72Å; L267-Q271 PolarHBondContact O-N 2.88Å; L267-A331 HydrophobicContact CD2-CB 4.31Å; L267-V334 HydrophobicContact CB-CG1 4.24Å; L267-V334 HydrophobicContact CD1-CB 3.7Å; L267-V334 HydrophobicContact CD1-CG1 3.68Å; L267-V334 HydrophobicContact CD1-CG2 3.82Å; L267-Y335 HydrophobicContact CB-CE1 4.02Å; L267-Y335 HydrophobicContact CD2-CE2 4.12Å; L267-Y335 WeakPolarHBondContact CD2-OH 3.29Å; L267-Y335 PolarHBondContact O-OH 2.74Å
268E98.8Very high98.1Very high49 Ų4956.4 Ų56.423%0.22931%0.314CS..Hα-helixtrans-59.8-38.9174.2-179-79.3150.700112.2C53 Y55 V270 Q271 T272C53-E268 WeakPolarHBondContact O-CB 3.35Å; C53-E268 PolarHBondContact O-N 3.02Å; C53-E268 VanDerWaalsContact O-N 3.14Å; Y55-E268 HydrophobicContact CD1-CB 4.11Å; Y55-E268 HydrophobicContact CD1-CG 4.05Å; Y55-E268 HydrophobicContact CD2-CB 4.11Å; Y55-E268 HydrophobicContact CE1-CB 3.77Å; Y55-E268 HydrophobicContact CE1-CG 3.77Å; Y55-E268 HydrophobicContact CE2-CB 3.79Å; Y55-E268 HydrophobicContact CG-CB 4.26Å; Y55-E268 VanDerWaalsContact CZ-CA 3.49Å; Y55-E268 WeakPolarHBondContact OH-CA 3.38Å; E268-V270 PolarHBondContact O-N 3.48Å; E268-V270 VanDerWaalsContact O-N 3.16Å; E268-Q271 WeakPolarHBondContact O-CB 3.22Å; E268-Q271 PolarHBondContact O-N 2.59Å; E268-Q271 VanDerWaalsContact O-N 3.07Å; E268-T272 PolarHBondContact O-N 3.05Å; E268-T272 PolarHBondContact O-OG1 3.2Å; E268-T272 WeakPolarHBondContact OE1-CB 3.37Å; E268-T272 PolarHBondContact OE1-OG1 2.91Å
269E98.8Very high98.1Very high37 Ų3758 Ų5817%0.17330%0.302CS..Hα-helixtrans-60.5-31.4178.6-67.2166.2-155.800112.2V264 L265 R266 L267 K273V264-E269 WeakPolarHBondContact CA-OE2 3.37Å; V264-E269 HydrophobicContact CG1-CB 4.47Å; L265-E269 PolarHBondContact N-OE2 3.44Å; R266-E269 HydrophobicContact CB-CG 4.04Å; R266-E269 IonicContact NH1-OE1 2.7Å; R266-E269 PolarHBondContact NH1-OE1 3.25Å; R266-E269 WeakPolarHBondContact O-CB 3.42Å; R266-E269 PolarHBondContact O-N 2.97Å; L267-E269 VanDerWaalsContact C-N 3.3Å; L267-E269 PolarHBondContact O-N 2.7Å; E269-K273 VanDerWaalsContact O-CB 3.31Å; E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 WeakPolarHBondContact O-CD 3.39Å; E269-K273 WeakPolarHBondContact O-CG 3.16Å; E269-K273 PolarHBondContact O-N 2.91Å; E269-K273 VanDerWaalsContact O-N 3.1Å
270V98.8Very high98.2Very high0 Ų060.5 Ų60.50%031%0.313CS..Hα-helixtrans-69.3-49.1175.3-174.20000110.2A250 L253 A254 L259 V264 L267 E268 T272 K273 L274 M281A250-V270 HydrophobicContact CB-CG2 4.01Å; A250-V270 WeakPolarHBondContact O-CG2 3.48Å; L253-V270 HydrophobicContact CB-CG1 4.06Å; L253-V270 HydrophobicContact CB-CG2 4.46Å; A254-V270 HydrophobicContact CB-CG2 4.29Å; L259-V270 HydrophobicContact CD1-CG1 4.42Å; V264-V270 HydrophobicContact CG1-CG2 3.81Å; L267-V270 WeakPolarHBondContact O-CB 3.43Å; L267-V270 PolarHBondContact O-N 2.72Å; E268-V270 PolarHBondContact O-N 3.48Å; E268-V270 VanDerWaalsContact O-N 3.16Å; V270-T272 PolarHBondContact O-N 2.98Å; V270-K273 PolarHBondContact O-N 3.4Å; V270-L274 HydrophobicContact CG1-CD1 3.98Å; V270-L274 HydrophobicContact CG1-CG 4.5Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 3.39Å; V270-M281 HydrophobicContact CB-CE 4.22Å; V270-M281 HydrophobicContact CG1-CE 3.85Å
271Q98.8Very high98.2Very high30 Ų3054.7 Ų54.714%0.1429%0.286CS..Hα-helixtrans-56-51.7177.3-176.7-168.87.400110.8Y55 L267 E268 K273 L274 G275 V276 M281Y55-Q271 PolarHBondContact OH-OE1 3.44Å; L267-Q271 PolarHBondContact O-N 2.88Å; E268-Q271 WeakPolarHBondContact O-CB 3.22Å; E268-Q271 PolarHBondContact O-N 2.59Å; E268-Q271 VanDerWaalsContact O-N 3.07Å; Q271-K273 VanDerWaalsContact C-N 3.32Å; Q271-K273 PolarHBondContact O-N 2.83Å; Q271-L274 PolarHBondContact O-N 3.2Å; Q271-L274 VanDerWaalsContact O-N 3.12Å; Q271-G275 PolarHBondContact O-N 3.46Å; Q271-V276 HydrophobicContact CG-CG2 4.45Å; Q271-V276 WeakPolarHBondContact CG-O 3.42Å; Q271-V276 PolarHBondContact NE2-O 3.19Å; Q271-M281 HydrophobicContact CB-CG 3.77Å; Q271-M281 HydrophobicContact CB-SD 4.21Å; Q271-M281 HydrophobicContact CG-CG 3.67Å; Q271-M281 HydrophobicContact CG-SD 4.49Å
272T98.3Very high98.3Very high89 Ų8954.9 Ų54.955%0.54629%0.289SS..Hα-helixtrans-62.8-38.5-176.5-72.10000112E268 V270 G275E268-T272 PolarHBondContact O-N 3.05Å; E268-T272 PolarHBondContact O-OG1 3.2Å; E268-T272 WeakPolarHBondContact OE1-CB 3.37Å; E268-T272 PolarHBondContact OE1-OG1 2.91Å; V270-T272 PolarHBondContact O-N 2.98Å; T272-G275 PolarHBondContact O-N 3.35Å
273K98.5Very high98.4Very high117 Ų11756.7 Ų56.751%0.50930%0.298SS..Hα-helixtrans-68.9-31.5175.6-75.3171.5-172.3-63.70113.5L259 V264 E269 V270 Q271L259-K273 HydrophobicContact CD1-CB 3.7Å; L259-K273 HydrophobicContact CD1-CD 4.2Å; L259-K273 HydrophobicContact CD2-CB 4.39Å; V264-K273 HydrophobicContact CG2-CD 4.29Å; E269-K273 VanDerWaalsContact O-CB 3.31Å; E269-K273 WeakPolarHBondContact O-CB 3.44Å; E269-K273 WeakPolarHBondContact O-CD 3.39Å; E269-K273 WeakPolarHBondContact O-CG 3.16Å; E269-K273 PolarHBondContact O-N 2.91Å; E269-K273 VanDerWaalsContact O-N 3.1Å; V270-K273 PolarHBondContact O-N 3.4Å; Q271-K273 VanDerWaalsContact C-N 3.32Å; Q271-K273 PolarHBondContact O-N 2.83Å
274L98.3Very high98.5Very high51 Ų5151.4 Ų51.427%0.26728%0.277SS..Hα-helixtrans-81.5-22.8176.3-66.3177.1000112.5K257 L259 V270 Q271 V276 M281 V284K257-L274 HydrophobicContact CB-CD1 4.32Å; K257-L274 HydrophobicContact CB-CD2 3.82Å; K257-L274 HydrophobicContact CG-CD1 4Å; K257-L274 HydrophobicContact CG-CD2 4.3Å; L259-L274 HydrophobicContact CD1-CD2 3.87Å; L259-L274 HydrophobicContact CD1-CG 4.05Å; L259-L274 HydrophobicContact CD2-CD2 4.26Å; L259-L274 HydrophobicContact CG-CD2 4.23Å; V270-L274 HydrophobicContact CG1-CD1 3.98Å; V270-L274 HydrophobicContact CG1-CG 4.5Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.49Å; V270-L274 PolarHBondContact O-N 3.39Å; Q271-L274 PolarHBondContact O-N 3.2Å; Q271-L274 VanDerWaalsContact O-N 3.12Å; L274-V276 HydrophobicContact CB-CG1 4.18Å; L274-V276 HydrophobicContact CB-CG2 3.91Å; L274-M281 HydrophobicContact CD1-SD 3.92Å; L274-V284 HydrophobicContact CD1-CG1 4.49Å
275G98.3Very high98.5Very high70 Ų7051.4 Ų51.472%0.72228%0.277SS*.THydrogen-bonded Turntrans68.434.1-178.900000113.2Q271 T272Q271-G275 PolarHBondContact O-N 3.46Å; T272-G275 PolarHBondContact O-N 3.35Å
276V98.5Very high98.6Very high38 Ų3852.6 Ų52.623%0.2328%0.28CS..  trans-114.3161.3-175.7-61.10000112.2Q271 L274 E280 M281Q271-V276 HydrophobicContact CG-CG2 4.45Å; Q271-V276 WeakPolarHBondContact CG-O 3.42Å; Q271-V276 PolarHBondContact NE2-O 3.19Å; L274-V276 HydrophobicContact CB-CG1 4.18Å; L274-V276 HydrophobicContact CB-CG2 3.91Å; V276-E280 HydrophobicContact CB-CB 3.87Å; V276-E280 WeakPolarHBondContact CB-OE2 3.5Å; V276-E280 HydrophobicContact CG2-CB 4.3Å; V276-M281 HydrophobicContact CG2-CG 3.77Å; V276-M281 HydrophobicContact CG2-SD 3.53Å; V276-M281 VanDerWaalsContact CG2-SD 3.53Å
277S98.6Very high98.5Very high43 Ų4353.9 Ų53.930%0.30129%0.293SS..  trans-69.5168.3174.462.10000113.1E279 E280 M281S277-E279 VanDerWaalsContact C-N 3.31Å; S277-E280 WeakPolarHBondContact CB-OE2 3.36Å; S277-E280 PolarHBondContact N-OE2 3.31Å; S277-E280 PolarHBondContact O-N 2.89Å; S277-E280 WeakPolarHBondContact OG-CB 3.25Å; S277-E280 VanDerWaalsContact OG-CD 3.29Å; S277-E280 WeakPolarHBondContact OG-CG 3.43Å; S277-E280 PolarHBondContact OG-N 3.07Å; S277-E280 VanDerWaalsContact OG-N 3.17Å; S277-E280 PolarHBondContact OG-OE2 3.2Å; S277-M281 PolarHBondContact O-N 3.21Å
278L98.6Very high98.5Very high13 Ų1354.4 Ų54.47%0.06830%0.298CS..Hα-helixtrans-68.1-35176.1-73.4167.8000111.3Y55 M281 L282 Y335 A338 A339 L342Y55-L278 HydrophobicContact CE1-CD2 3.78Å; L278-M281 PolarHBondContact O-N 3.42Å; L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.44Å; L278-Y335 HydrophobicContact CD2-CD1 4.12Å; L278-A338 HydrophobicContact CD1-CB 3.99Å; L278-A338 HydrophobicContact CD2-CB 4.01Å; L278-A339 HydrophobicContact CB-CB 4.18Å; L278-A339 HydrophobicContact CD1-CB 3.87Å; L278-L342 HydrophobicContact CD1-CD1 4.02Å
279E98.1Very high98.5Very high105 Ų10552.3 Ų52.349%0.49129%0.288SS..Hα-helixtrans-63.5-45.2174.9-65.170.6-156.200110.8S277 M281 L282 L283S277-E279 VanDerWaalsContact C-N 3.31Å; E279-M281 VanDerWaalsContact C-N 3.34Å; E279-M281 PolarHBondContact O-N 2.91Å; E279-L282 WeakPolarHBondContact O-CB 3.13Å; E279-L282 PolarHBondContact O-N 2.84Å; E279-L283 PolarHBondContact O-N 2.96Å
280E98.6Very high98.5Very high95 Ų9554 Ų5444%0.44430%0.295SS..Hα-helixtrans-64.4-37.8173.2-73.4166.3133.100111.6V276 S277 L282 L283 V284V276-E280 HydrophobicContact CB-CB 3.87Å; V276-E280 WeakPolarHBondContact CB-OE2 3.5Å; V276-E280 HydrophobicContact CG2-CB 4.3Å; S277-E280 WeakPolarHBondContact CB-OE2 3.36Å; S277-E280 PolarHBondContact N-OE2 3.31Å; S277-E280 PolarHBondContact O-N 2.89Å; S277-E280 WeakPolarHBondContact OG-CB 3.25Å; S277-E280 VanDerWaalsContact OG-CD 3.29Å; S277-E280 WeakPolarHBondContact OG-CG 3.43Å; S277-E280 PolarHBondContact OG-N 3.07Å; S277-E280 VanDerWaalsContact OG-N 3.17Å; S277-E280 PolarHBondContact OG-OE2 3.2Å; E280-L282 VanDerWaalsContact C-N 3.25Å; E280-L282 PolarHBondContact O-N 3.19Å; E280-L283 WeakPolarHBondContact O-CB 3.37Å; E280-L283 PolarHBondContact O-N 2.96Å; E280-V284 WeakPolarHBondContact O-CG2 3.28Å; E280-V284 PolarHBondContact O-N 3.03Å
281M98.7Very high98.4Very high0 Ų056.2 Ų56.20%031%0.314CS..Hα-helixtrans-62.5-31.1174.4-78.9-53.1-65.600113.3V270 Q271 L274 V276 S277 L278 E279 L283 V284 T285 Y335V270-M281 HydrophobicContact CB-CE 4.22Å; V270-M281 HydrophobicContact CG1-CE 3.85Å; Q271-M281 HydrophobicContact CB-CG 3.77Å; Q271-M281 HydrophobicContact CB-SD 4.21Å; Q271-M281 HydrophobicContact CG-CG 3.67Å; Q271-M281 HydrophobicContact CG-SD 4.49Å; L274-M281 HydrophobicContact CD1-SD 3.92Å; V276-M281 HydrophobicContact CG2-CG 3.77Å; V276-M281 HydrophobicContact CG2-SD 3.53Å; V276-M281 VanDerWaalsContact CG2-SD 3.53Å; S277-M281 PolarHBondContact O-N 3.21Å; L278-M281 PolarHBondContact O-N 3.42Å; E279-M281 VanDerWaalsContact C-N 3.34Å; E279-M281 PolarHBondContact O-N 2.91Å; M281-L283 VanDerWaalsContact C-N 3.31Å; M281-V284 HydrophobicContact CE-CG1 4.24Å; M281-V284 PolarHBondContact O-N 3.4Å; M281-V284 HydrophobicContact SD-CB 4.31Å; M281-V284 HydrophobicContact SD-CG1 4.37Å; M281-V284 HydrophobicContact SD-CG2 4.47Å; M281-T285 WeakPolarHBondContact O-CB 3.28Å; M281-T285 PolarHBondContact O-N 2.86Å; M281-T285 PolarHBondContact O-OG1 2.92Å; M281-Y335 HydrophobicContact CB-CD1 3.79Å; M281-Y335 HydrophobicContact CB-CD2 4.22Å; M281-Y335 HydrophobicContact CB-CE1 3.98Å; M281-Y335 HydrophobicContact CB-CE2 4.42Å; M281-Y335 HydrophobicContact CB-CG 3.94Å; M281-Y335 HydrophobicContact CE-CE1 3.69Å; M281-Y335 HydrophobicContact CE-CE2 3.91Å; M281-Y335 WeakPolarHBondContact CE-OH 3.3Å; M281-Y335 HydrophobicContact CG-CD1 4.23Å; M281-Y335 HydrophobicContact CG-CE1 4.05Å
282L98.7Very high98.4Very high42 Ų4261.4 Ų61.422%0.2234%0.338CS..Hα-helixtrans-67.2-33.2173.2-70170000112.1L278 E279 E280 E286 K332L278-L282 WeakPolarHBondContact O-CG 3.28Å; L278-L282 PolarHBondContact O-N 3.44Å; E279-L282 WeakPolarHBondContact O-CB 3.13Å; E279-L282 PolarHBondContact O-N 2.84Å; E280-L282 VanDerWaalsContact C-N 3.25Å; E280-L282 PolarHBondContact O-N 3.19Å; L282-E286 PolarHBondContact O-N 2.85Å; L282-K332 HydrophobicContact CD2-CD 3.71Å; L282-K332 PolarHBondContact O-NZ 2.73Å
283L98.4Very high98.4Very high126 Ų12659.4 Ų59.466%0.6633%0.327SS*.Hα-helixtrans-73.7-42.6173.3-60.2175.2000111.3E279 E280 M281 T285 E286 D287E279-L283 PolarHBondContact O-N 2.96Å; E280-L283 WeakPolarHBondContact O-CB 3.37Å; E280-L283 PolarHBondContact O-N 2.96Å; M281-L283 VanDerWaalsContact C-N 3.31Å; L283-T285 PolarHBondContact O-N 3.42Å; L283-E286 WeakPolarHBondContact O-CB 3.36Å; L283-E286 PolarHBondContact O-N 3.36Å; L283-E286 VanDerWaalsContact O-N 3.11Å; L283-D287 PolarHBondContact O-N 2.95Å
284V98.6Very high98.4Very high21 Ų2154.2 Ų54.213%0.12730%0.304CS..Hα-helixtrans-57.2-41.1172.51660000111.1L253 K257 L274 E280 M281 E286 D287 A288L253-V284 HydrophobicContact CD2-CG1 4.1Å; K257-V284 HydrophobicContact CD-CG1 4.42Å; K257-V284 VanDerWaalsContact CE-CG1 3.41Å; K257-V284 HydrophobicContact CG-CG1 4.17Å; L274-V284 HydrophobicContact CD1-CG1 4.49Å; E280-V284 WeakPolarHBondContact O-CG2 3.28Å; E280-V284 PolarHBondContact O-N 3.03Å; M281-V284 HydrophobicContact CE-CG1 4.24Å; M281-V284 PolarHBondContact O-N 3.4Å; M281-V284 HydrophobicContact SD-CB 4.31Å; M281-V284 HydrophobicContact SD-CG1 4.37Å; M281-V284 HydrophobicContact SD-CG2 4.47Å; V284-E286 VanDerWaalsContact C-N 3.35Å; V284-D287 PolarHBondContact O-N 3.22Å; V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.5Å
285T98.7Very high98.4Very high0 Ų053.6 Ų53.60%030%0.304CS..Hα-helixtrans-64.2-40.2176.6-59.80000111.8M281 L283 L289 Y328 A331 K332 Y335M281-T285 WeakPolarHBondContact O-CB 3.28Å; M281-T285 PolarHBondContact O-N 2.86Å; M281-T285 PolarHBondContact O-OG1 2.92Å; L283-T285 PolarHBondContact O-N 3.42Å; T285-L289 HydrophobicContact CG2-CD1 4.19Å; T285-L289 PolarHBondContact O-N 3.02Å; T285-Y328 HydrophobicContact CG2-CD2 4.18Å; T285-A331 HydrophobicContact CG2-CB 3.67Å; T285-K332 HydrophobicContact CG2-CD 4.11Å; T285-K332 HydrophobicContact CG2-CG 3.99Å; T285-Y335 WeakPolarHBondContact OG1-CD2 3.42Å; T285-Y335 WeakPolarHBondContact OG1-CE2 3.29Å
286E98.3Very high98.4Very high103 Ų10353.2 Ų53.248%0.48128%0.281SS..Hα-helixtrans-63.6-40177.6-161.568-147.900112.8L282 L283 V284 Y328 K332L282-E286 PolarHBondContact O-N 2.85Å; L283-E286 WeakPolarHBondContact O-CB 3.36Å; L283-E286 PolarHBondContact O-N 3.36Å; L283-E286 VanDerWaalsContact O-N 3.11Å; V284-E286 VanDerWaalsContact C-N 3.35Å; E286-Y328 VanDerWaalsContact CD-OH 3.31Å; E286-Y328 PolarHBondContact OE1-OH 3.09Å; E286-Y328 WeakPolarHBondContact OE2-CE2 3.27Å; E286-Y328 PolarHBondContact OE2-OH 3.42Å; E286-K332 WeakPolarHBondContact OE2-CE 3.49Å; E286-K332 IonicContact OE2-NZ 2.66Å; E286-K332 PolarHBondContact OE2-NZ 3.3Å
287D97.7Very high98.4Very high102 Ų10255.5 Ų55.555%0.54529%0.289SS..Hα-helixtrans-72.9-38179.117363.4000112.6H256 K257 L283 V284H256-D287 IonicContact CD2-OD2 3.74Å; H256-D287 IonicContact NE2-OD2 3.31Å; H256-D287 PolarHBondContact NE2-OD2 3.39Å; K257-D287 IonicContact NZ-OD2 3.16Å; K257-D287 PolarHBondContact NZ-OD2 3.33Å; L283-D287 PolarHBondContact O-N 2.95Å; V284-D287 PolarHBondContact O-N 3.22Å
288A98.1Very high98.4Very high12 Ų1255.8 Ų55.810%0.09929%0.286CS..Hα-helixtrans-95.8-29.3-16700000114.9L253 H256 V284L253-A288 HydrophobicContact CD2-CB 3.59Å; H256-A288 HydrophobicContact CB-CB 4.05Å; H256-A288 WeakPolarHBondContact CD2-CB 3.48Å; V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.5Å
289L98.8Very high98.4Very high4 Ų455.1 Ų55.12%0.02128%0.283CS..  trans-117.4125.6-175.1-57.9-178.4000109.6A249 V252 L253 T285 Y294 L327 Y328 A331A249-L289 HydrophobicContact CB-CD1 4.06Å; V252-L289 HydrophobicContact CB-CD2 4.01Å; V252-L289 HydrophobicContact CG1-CD2 3.54Å; L253-L289 HydrophobicContact CD1-CD1 4.28Å; L253-L289 HydrophobicContact CD2-CD1 4.14Å; L253-L289 HydrophobicContact CD2-CG 3.97Å; L253-L289 HydrophobicContact CG-CD1 4.06Å; L253-L289 HydrophobicContact CG-CD2 4.46Å; L253-L289 HydrophobicContact CG-CG 4.25Å; T285-L289 HydrophobicContact CG2-CD1 4.19Å; T285-L289 PolarHBondContact O-N 3.02Å; L289-Y294 WeakPolarHBondContact CA-OH 3.35Å; L289-L327 HydrophobicContact CD1-CB 4.08Å; L289-L327 HydrophobicContact CD2-CB 4.41Å; L289-Y328 HydrophobicContact CB-CD2 4.21Å; L289-Y328 WeakPolarHBondContact O-CD2 3.28Å; L289-A331 HydrophobicContact CD1-CB 3.96Å
290H98.6Very high98.4Very high72 Ų7250.6 Ų50.633%0.33326%0.262SS..  trans-78.8156.9171.669.674.4000110.7E292 Y294 E298 Y328H290-E292 PolarHBondContact CE1-O 3.06Å; H290-E292 PolarHBondContact ND1-N 3.27Å; H290-E292 PolarHBondContact ND1-O 3.3Å; H290-E292 VanDerWaalsContact ND1-O 3.16Å; H290-Y294 AromaticContact CD2-CE1 3.84Å; H290-Y294 AromaticContact CD2-CE2 3.71Å; H290-Y294 AromaticContact CD2-CZ 3.3Å; H290-Y294 PolarHBondContact CD2-OH 3.27Å; H290-Y294 AromaticContact CE1-CD2 3.71Å; H290-Y294 AromaticContact CE1-CE2 3.53Å; H290-Y294 AromaticContact CE1-CZ 3.85Å; H290-Y294 AromaticContact CG-CE2 3.95Å; H290-Y294 AromaticContact CG-CZ 3.94Å; H290-Y294 PolarHBondContact N-OH 3.47Å; H290-Y294 AromaticContact ND1-CE2 3.88Å; H290-Y294 AromaticContact NE2-CD1 3.87Å; H290-Y294 AromaticContact NE2-CD2 3.83Å; H290-Y294 AromaticContact NE2-CE1 3.48Å; H290-Y294 WeakPolarHBondContact NE2-CE1 3.23Å; H290-Y294 AromaticContact NE2-CE2 3.43Å; H290-Y294 WeakPolarHBondContact NE2-CE2 3.42Å; H290-Y294 AromaticContact NE2-CZ 3.24Å; H290-E298 IonicContact CD2-OE1 3.29Å; H290-E298 PolarHBondContact CD2-OE1 3.17Å; H290-E298 IonicContact CE1-OE1 2.93Å; H290-E298 IonicContact CE1-OE2 2.96Å; H290-E298 IonicContact NE2-OE1 2.85Å; H290-E298 PolarHBondContact NE2-OE1 3.39Å; H290-E298 IonicContact NE2-OE2 2.79Å; H290-Y328 WeakPolarHBondContact O-CB 3.46Å
291A98Very high98.4Very high48 Ų4855.4 Ų55.440%0.39728%0.276SS..SBendtrans-75.6-23.3-172.500000113.9Y328 Q329A291-Y328 HydrophobicContact CB-CD1 4.2Å; A291-Y328 HydrophobicContact CB-CE1 4.42Å; A291-Q329 PolarHBondContact O-NE2 3.47Å
292E98.4Very high98.4Very high138 Ų13857.8 Ų57.865%0.64529%0.292SS*.SBendtrans-74.2153-178.6-63.9-56145.800111.1H290 Y294H290-E292 PolarHBondContact CE1-O 3.06Å; H290-E292 PolarHBondContact ND1-N 3.27Å; H290-E292 PolarHBondContact ND1-O 3.3Å; H290-E292 VanDerWaalsContact ND1-O 3.16Å; E292-Y294 PolarHBondContact O-N 3.01Å
293P98.6Very high98.4Very high48 Ų4855.9 Ų55.931%0.31228%0.282SS..PPolyproline II helixtrans-60.1132.2177-21.732.7000111.7T324 K326P293-T324 HydrophobicContact CB-CG2 4.39Å; P293-K326 HydrophobicContact CB-CG 4.28Å; P293-K326 HydrophobicContact CG-CG 4.17Å
294Y98.8Very high98.4Very high8 Ų852.9 Ų52.93%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-77.4135.2176.9-78.2-109.9000110.7L289 H290 E292 E298 I299 T324 F325 L327L289-Y294 WeakPolarHBondContact CA-OH 3.35Å; H290-Y294 AromaticContact CD2-CE1 3.84Å; H290-Y294 AromaticContact CD2-CE2 3.71Å; H290-Y294 AromaticContact CD2-CZ 3.3Å; H290-Y294 PolarHBondContact CD2-OH 3.27Å; H290-Y294 AromaticContact CE1-CD2 3.71Å; H290-Y294 AromaticContact CE1-CE2 3.53Å; H290-Y294 AromaticContact CE1-CZ 3.85Å; H290-Y294 AromaticContact CG-CE2 3.95Å; H290-Y294 AromaticContact CG-CZ 3.94Å; H290-Y294 PolarHBondContact N-OH 3.47Å; H290-Y294 AromaticContact ND1-CE2 3.88Å; H290-Y294 AromaticContact NE2-CD1 3.87Å; H290-Y294 AromaticContact NE2-CD2 3.83Å; H290-Y294 AromaticContact NE2-CE1 3.48Å; H290-Y294 WeakPolarHBondContact NE2-CE1 3.23Å; H290-Y294 AromaticContact NE2-CE2 3.43Å; H290-Y294 WeakPolarHBondContact NE2-CE2 3.42Å; H290-Y294 AromaticContact NE2-CZ 3.24Å; E292-Y294 PolarHBondContact O-N 3.01Å; Y294-E298 VanDerWaalsContact CD1-CD 3.48Å; Y294-E298 HydrophobicContact CD1-CG 3.84Å; Y294-E298 HydrophobicContact CE1-CG 4.31Å; Y294-I299 HydrophobicContact CD1-CG1 4.25Å; Y294-I299 HydrophobicContact CG-CG1 4.45Å; Y294-T324 CarbonylContact O-C 3.58Å; Y294-T324 VanDerWaalsContact O-CA 3.24Å; Y294-T324 WeakPolarHBondContact O-CA 3.46Å; Y294-F325 PolarHBondContact N-O 3.3Å; Y294-F325 PolarHBondContact O-N 3.39Å; Y294-L327 HydrophobicContact CD1-CD1 3.96Å; Y294-L327 HydrophobicContact CD2-CB 4.04Å; Y294-L327 HydrophobicContact CD2-CD1 3.81Å; Y294-L327 HydrophobicContact CD2-CG 3.75Å; Y294-L327 HydrophobicContact CE1-CD1 4.29Å; Y294-L327 HydrophobicContact CE2-CB 4.16Å; Y294-L327 HydrophobicContact CE2-CD1 4.14Å; Y294-L327 HydrophobicContact CE2-CG 4.28Å; Y294-L327 HydrophobicContact CG-CD1 3.7Å; Y294-L327 HydrophobicContact CG-CG 4Å
295S98.6Very high98.4Very high38 Ų3853.2 Ų53.227%0.26628%0.283SS..EExtended strand (participates in β ladder)trans-79.8162.2169.798.70000111.5E297 E298 I299S295-E297 VanDerWaalsContact C-N 3.29Å; S295-E297 WeakPolarHBondContact CB-OE2 3.45Å; S295-E297 PolarHBondContact O-N 2.8Å; S295-E297 PolarHBondContact OG-N 2.92Å; S295-E297 PolarHBondContact OG-OE2 3.03Å; S295-E298 PolarHBondContact O-N 3.27Å; S295-E298 PolarHBondContact OG-N 2.79Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 3.04Å
296R98.1Very high98.3Very high61 Ų6155.6 Ų55.623%0.2330%0.3CS..Hα-helixtrans-57.4-43.5173.9-69-176.3-60.9-162.60.5112.1E298 I299 C300 L307 L310 E322 F325R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 PolarHBondContact O-N 3.38Å; R296-I299 PolarHBondContact O-N 2.81Å; R296-C300 WeakPolarHBondContact O-CB 3.28Å; R296-C300 PolarHBondContact O-N 3.4Å; R296-C300 PolarHBondContact O-SG 3.44Å; R296-L307 HydrophobicContact CB-CD2 3.62Å; R296-L310 HydrophobicContact CB-CD2 3.88Å; R296-L310 HydrophobicContact CG-CD2 4.07Å; R296-E322 WeakPolarHBondContact CD-O 3.17Å; R296-F325 HydrophobicContact CG-CE2 3.86Å
297E98.2Very high98.3Very high86 Ų8654.6 Ų54.640%0.40230%0.297SS..Hα-helixtrans-66.4-36.7-178.6-59.169.6-150.600111.2S295 R301 L307S295-E297 VanDerWaalsContact C-N 3.29Å; S295-E297 WeakPolarHBondContact CB-OE2 3.45Å; S295-E297 PolarHBondContact O-N 2.8Å; S295-E297 PolarHBondContact OG-N 2.92Å; S295-E297 PolarHBondContact OG-OE2 3.03Å; E297-R301 WeakPolarHBondContact O-CB 3.37Å; E297-R301 PolarHBondContact O-N 3.16Å; E297-L307 HydrophobicContact CG-CD2 4.47Å
298E98.6Very high98.3Very high49 Ų4955.5 Ų55.523%0.22930%0.298CS..Hα-helixtrans-65.2-48.5173.8-175.4177.8-171.800111.5H290 Y294 S295 R296 C300 R301 C302H290-E298 IonicContact CD2-OE1 3.29Å; H290-E298 PolarHBondContact CD2-OE1 3.17Å; H290-E298 IonicContact CE1-OE1 2.93Å; H290-E298 IonicContact CE1-OE2 2.96Å; H290-E298 IonicContact NE2-OE1 2.85Å; H290-E298 PolarHBondContact NE2-OE1 3.39Å; H290-E298 IonicContact NE2-OE2 2.79Å; Y294-E298 VanDerWaalsContact CD1-CD 3.48Å; Y294-E298 HydrophobicContact CD1-CG 3.84Å; Y294-E298 HydrophobicContact CE1-CG 4.31Å; S295-E298 PolarHBondContact O-N 3.27Å; S295-E298 PolarHBondContact OG-N 2.79Å; R296-E298 VanDerWaalsContact C-N 3.31Å; R296-E298 PolarHBondContact O-N 3.38Å; E298-C300 VanDerWaalsContact C-N 3.32Å; E298-C300 PolarHBondContact O-N 2.6Å; E298-R301 WeakPolarHBondContact O-CA 3.3Å; E298-R301 WeakPolarHBondContact O-CB 3.44Å; E298-R301 PolarHBondContact O-N 2.62Å; E298-C302 PolarHBondContact O-N 2.82Å; E298-C302 PolarHBondContact O-SG 2.92Å; E298-C302 VanDerWaalsContact O-SG 3.33Å
299I98.6Very high98.2Very high0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-57.6-46.7176.5-69.6175.7000110.9L248 Y294 S295 R296 R301 C302 L303 L310 F325 L327L248-I299 HydrophobicContact CD1-CD1 3.99Å; L248-I299 HydrophobicContact CD2-CG2 3.91Å; Y294-I299 HydrophobicContact CD1-CG1 4.25Å; Y294-I299 HydrophobicContact CG-CG1 4.45Å; S295-I299 WeakPolarHBondContact O-CG1 3.48Å; S295-I299 PolarHBondContact O-N 3.04Å; R296-I299 PolarHBondContact O-N 2.81Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.38Å; I299-C302 PolarHBondContact O-N 3.32Å; I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 WeakPolarHBondContact O-CG 3.41Å; I299-L303 PolarHBondContact O-N 3.12Å; I299-L310 HydrophobicContact CG2-CD1 4.05Å; I299-L310 HydrophobicContact CG2-CD2 4.39Å; I299-F325 HydrophobicContact CD1-CB 4.04Å; I299-F325 HydrophobicContact CD1-CD2 3.46Å; I299-F325 VanDerWaalsContact CD1-CD2 3.46Å; I299-F325 HydrophobicContact CD1-CE2 4.17Å; I299-F325 HydrophobicContact CD1-CG 3.9Å; I299-L327 HydrophobicContact CD1-CD1 4.4Å; I299-L327 HydrophobicContact CG1-CD1 4.4Å
300C98.4Very high98.2Very high10 Ų1058.2 Ų58.27%0.06831%0.308CS..Hα-helixtrans-55.8-43.3175.2-780000111.8R296 E298 G304 I305 S306R296-C300 WeakPolarHBondContact O-CB 3.28Å; R296-C300 PolarHBondContact O-N 3.4Å; R296-C300 PolarHBondContact O-SG 3.44Å; E298-C300 VanDerWaalsContact C-N 3.32Å; E298-C300 PolarHBondContact O-N 2.6Å; C300-G304 WeakPolarHBondContact O-CA 3.47Å; C300-G304 PolarHBondContact O-N 3.03Å; C300-I305 HydrophobicContact CB-CG1 4.41Å; C300-I305 WeakPolarHBondContact CB-O 3.48Å; C300-I305 PolarHBondContact O-N 2.94Å; C300-S306 VanDerWaalsContact SG-C 3.54Å; C300-S306 PolarHBondContact SG-O 2.63Å; C300-S306 VanDerWaalsContact SG-O 3.36Å
301R98.5Very high98Very high196 Ų19658.7 Ų58.774%0.7431%0.307SS*.Hα-helixtrans-65.8-43.6176.7-164.1-172.2-50.3149.59.2112.4E297 E298 I299 L303E297-R301 WeakPolarHBondContact O-CB 3.37Å; E297-R301 PolarHBondContact O-N 3.16Å; E298-R301 WeakPolarHBondContact O-CA 3.3Å; E298-R301 WeakPolarHBondContact O-CB 3.44Å; E298-R301 PolarHBondContact O-N 2.62Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.38Å; R301-L303 PolarHBondContact O-N 3.25Å
302C98Very high97.8Very high49 Ų4960 Ų6033%0.33131%0.311SS..Hα-helixtrans-61.2-43.5177.7-69.20000111.9V252 E298 I299V252-C302 HydrophobicContact CG2-CB 4.41Å; E298-C302 PolarHBondContact O-N 2.82Å; E298-C302 PolarHBondContact O-SG 2.92Å; E298-C302 VanDerWaalsContact O-SG 3.33Å; I299-C302 PolarHBondContact O-N 3.32Å
303L98.3Very high97.6Very high2 Ų260.4 Ų60.41%0.0131%0.312CS..Hα-helixtrans-85.3-23.1-176.1-60.9-178.5000112.8K251 V252 K255 W261 I299 R301 I305 I314K251-L303 HydrophobicContact CB-CD1 4.32Å; K251-L303 HydrophobicContact CB-CD2 4.05Å; V252-L303 HydrophobicContact CG2-CD2 3.94Å; V252-L303 HydrophobicContact CG2-CG 4.36Å; K255-L303 HydrophobicContact CB-CD2 4.37Å; W261-L303 HydrophobicContact CD2-CD2 3.96Å; W261-L303 HydrophobicContact CE3-CD1 4.25Å; W261-L303 HydrophobicContact CE3-CD2 3.85Å; W261-L303 HydrophobicContact CE3-CG 4.43Å; W261-L303 HydrophobicContact CG-CD2 4.49Å; W261-L303 HydrophobicContact CH2-CB 3.86Å; W261-L303 HydrophobicContact CH2-CD1 4.34Å; W261-L303 HydrophobicContact CZ2-CB 3.96Å; W261-L303 VanDerWaalsContact CZ2-O 3.3Å; W261-L303 WeakPolarHBondContact CZ2-O 3.36Å; W261-L303 HydrophobicContact CZ3-CB 4.15Å; W261-L303 HydrophobicContact CZ3-CD1 3.88Å; W261-L303 HydrophobicContact CZ3-CD2 4.22Å; W261-L303 HydrophobicContact CZ3-CG 4.31Å; I299-L303 HydrophobicContact CG2-CD1 3.88Å; I299-L303 HydrophobicContact CG2-CG 4.43Å; I299-L303 WeakPolarHBondContact O-CG 3.41Å; I299-L303 PolarHBondContact O-N 3.12Å; R301-L303 PolarHBondContact O-N 3.25Å; L303-I305 HydrophobicContact CB-CD1 4.26Å; L303-I305 HydrophobicContact CB-CG1 4.12Å; L303-I305 HydrophobicContact CB-CG2 4.45Å; L303-I305 HydrophobicContact CD1-CD1 4.13Å; L303-I314 HydrophobicContact CD1-CD1 4.42Å
304G98.1Very high97.5Very high64 Ų6458.9 Ų58.966%0.6630%0.302SS*.THydrogen-bonded Turntrans77.441.8-17500000112.5C300C300-G304 WeakPolarHBondContact O-CA 3.47Å; C300-G304 PolarHBondContact O-N 3.03Å
305I98.4Very high97.4Very high28 Ų2859 Ų5914%0.14430%0.303CS..  trans-125.9163.6-179.564.1177.8000111.4W261 C300 L303 E309 L310 I314W261-I305 HydrophobicContact CH2-CG2 3.61Å; W261-I305 HydrophobicContact CZ2-CG2 3.97Å; C300-I305 HydrophobicContact CB-CG1 4.41Å; C300-I305 WeakPolarHBondContact CB-O 3.48Å; C300-I305 PolarHBondContact O-N 2.94Å; L303-I305 HydrophobicContact CB-CD1 4.26Å; L303-I305 HydrophobicContact CB-CG1 4.12Å; L303-I305 HydrophobicContact CB-CG2 4.45Å; L303-I305 HydrophobicContact CD1-CD1 4.13Å; I305-E309 HydrophobicContact CB-CB 4.14Å; I305-L310 HydrophobicContact CD1-CB 4.12Å; I305-I314 HydrophobicContact CD1-CD1 3.62Å
306S98.3Very high97.2Very high50 Ų5057.7 Ų57.735%0.3529%0.294SS..  trans-78.2162171.166.20000112.6C300 E308 E309 L310C300-S306 VanDerWaalsContact SG-C 3.54Å; C300-S306 PolarHBondContact SG-O 2.63Å; C300-S306 VanDerWaalsContact SG-O 3.36Å; S306-E308 PolarHBondContact O-N 3.35Å; S306-E309 WeakPolarHBondContact CB-OE2 3.33Å; S306-E309 PolarHBondContact N-OE2 3.43Å; S306-E309 PolarHBondContact O-N 3.08Å; S306-E309 VanDerWaalsContact OG-CG 3.26Å; S306-E309 WeakPolarHBondContact OG-CG 3.46Å; S306-E309 PolarHBondContact OG-N 3.34Å; S306-E309 VanDerWaalsContact OG-N 3.14Å; S306-E309 PolarHBondContact OG-OE2 3.28Å; S306-L310 PolarHBondContact O-N 3.29Å; S306-L310 VanDerWaalsContact O-N 3.09Å
307L97.4Very high96.9Very high82 Ų8260 Ų6043%0.42932%0.316SS..Hα-helixtrans-61.4-32.7171.6-75.2171.4000112R296 E297 L310 R311R296-L307 HydrophobicContact CB-CD2 3.62Å; E297-L307 HydrophobicContact CG-CD2 4.47Å; L307-L310 PolarHBondContact O-N 3.04Å; L307-R311 WeakPolarHBondContact O-CB 3.35Å; L307-R311 PolarHBondContact O-N 3.32Å
308E97Very high96.6Very high120 Ų12059 Ų5956%0.56131%0.314SS*.Hα-helixtrans-68.8-42.4178.4-173.561.9-169.900111.3S306 R311 T312S306-E308 PolarHBondContact O-N 3.35Å; E308-R311 PolarHBondContact O-N 2.86Å; E308-T312 HydrophobicContact CG-CG2 4.37Å; E308-T312 WeakPolarHBondContact O-CB 3.2Å; E308-T312 WeakPolarHBondContact O-CG2 3.42Å; E308-T312 PolarHBondContact O-N 2.93Å; E308-T312 PolarHBondContact O-OG1 2.94Å; E308-T312 VanDerWaalsContact OE1-CG2 3.22Å; E308-T312 WeakPolarHBondContact OE1-CG2 3.39Å
309E97.3Very high96.4Very high72 Ų7256.7 Ų56.734%0.33630%0.303SS..Hα-helixtrans-62.3-43.2173.7-73165.9117.800111.4I305 S306 R311 Q313I305-E309 HydrophobicContact CB-CB 4.14Å; S306-E309 WeakPolarHBondContact CB-OE2 3.33Å; S306-E309 PolarHBondContact N-OE2 3.43Å; S306-E309 PolarHBondContact O-N 3.08Å; S306-E309 VanDerWaalsContact OG-CG 3.26Å; S306-E309 WeakPolarHBondContact OG-CG 3.46Å; S306-E309 PolarHBondContact OG-N 3.34Å; S306-E309 VanDerWaalsContact OG-N 3.14Å; S306-E309 PolarHBondContact OG-OE2 3.28Å; E309-R311 VanDerWaalsContact C-N 3.35Å; E309-R311 PolarHBondContact O-N 3.5Å; E309-Q313 VanDerWaalsContact O-CB 3.28Å; E309-Q313 WeakPolarHBondContact O-CB 3.21Å; E309-Q313 PolarHBondContact O-N 3.37Å
310L97.3Very high96.1Very high1 Ų158.8 Ų58.81%0.00531%0.313CS..Iπ-helixtrans-57.7-48174.1177.763.5000111.2L248 R296 I299 I305 S306 L307 I314 L315L248-L310 HydrophobicContact CD2-CD1 3.78Å; R296-L310 HydrophobicContact CB-CD2 3.88Å; R296-L310 HydrophobicContact CG-CD2 4.07Å; I299-L310 HydrophobicContact CG2-CD1 4.05Å; I299-L310 HydrophobicContact CG2-CD2 4.39Å; I305-L310 HydrophobicContact CD1-CB 4.12Å; S306-L310 PolarHBondContact O-N 3.29Å; S306-L310 VanDerWaalsContact O-N 3.09Å; L307-L310 PolarHBondContact O-N 3.04Å; L310-I314 HydrophobicContact CD1-CB 4.26Å; L310-I314 HydrophobicContact CD1-CD1 4.26Å; L310-I314 HydrophobicContact CD1-CG2 4.46Å; L310-I314 PolarHBondContact O-N 2.7Å; L310-L315 HydrophobicContact CD1-CG 4.22Å; L310-L315 HydrophobicContact CG-CD1 4.08Å; L310-L315 HydrophobicContact CG-CG 4.23Å; L310-L315 WeakPolarHBondContact O-CG 3.41Å; L310-L315 PolarHBondContact O-N 3.18Å
311R96Very high95.7Very high82 Ų8263.9 Ų63.931%0.30934%0.339SS..Iπ-helixtrans-67.9-40.3-176.2-174.2174.9178103.95113.3L307 E308 E309 Q320 D321L307-R311 WeakPolarHBondContact O-CB 3.35Å; L307-R311 PolarHBondContact O-N 3.32Å; E308-R311 PolarHBondContact O-N 2.86Å; E309-R311 VanDerWaalsContact C-N 3.35Å; E309-R311 PolarHBondContact O-N 3.5Å; R311-Q320 HydrophobicContact CG-CB 4.01Å; R311-Q320 HydrophobicContact CG-CG 3.88Å; R311-Q320 VanDerWaalsContact CZ-OE1 3.32Å; R311-Q320 PolarHBondContact NH1-O 3Å; R311-Q320 PolarHBondContact O-NE2 3.16Å; R311-D321 IonicContact CZ-OD1 3.67Å; R311-D321 IonicContact NH1-OD1 2.95Å; R311-D321 PolarHBondContact NH1-OD1 2.86Å; R311-D321 IonicContact NH2-OD1 3.41Å; R311-D321 PolarHBondContact NH2-OD1 2.83Å
312T93.5Very high95.6Very high76 Ų7657.1 Ų57.147%0.46632%0.316SS..Iπ-helixtrans-98.9-27.5-169.558.60000114.1E308E308-T312 HydrophobicContact CG-CG2 4.37Å; E308-T312 WeakPolarHBondContact O-CB 3.2Å; E308-T312 WeakPolarHBondContact O-CG2 3.42Å; E308-T312 PolarHBondContact O-N 2.93Å; E308-T312 PolarHBondContact O-OG1 2.94Å; E308-T312 VanDerWaalsContact OE1-CG2 3.22Å; E308-T312 WeakPolarHBondContact OE1-CG2 3.39Å
313Q94.3Very high95.5Very high146 Ų14660 Ų6068%0.68233%0.328SS*.Iπ-helixtrans-108.7-21-173.9-53.3-176.120.400113.6E309E309-Q313 VanDerWaalsContact O-CB 3.28Å; E309-Q313 WeakPolarHBondContact O-CB 3.21Å; E309-Q313 PolarHBondContact O-N 3.37Å
314I95.8Very high95.4Very high17 Ų1763.5 Ų63.59%0.08735%0.349CS..Iπ-helixtrans-115.6-53.6-174.9-54.8180000111.8M244 L248 K251 W261 L303 I305 L310M244-I314 VanDerWaalsContact SD-O 3.36Å; L248-I314 HydrophobicContact CD2-CG2 3.74Å; L248-I314 HydrophobicContact CG-CG2 4.46Å; K251-I314 HydrophobicContact CD-CD1 4.26Å; W261-I314 HydrophobicContact CZ3-CD1 4.46Å; L303-I314 HydrophobicContact CD1-CD1 4.42Å; I305-I314 HydrophobicContact CD1-CD1 3.62Å; L310-I314 HydrophobicContact CD1-CB 4.26Å; L310-I314 HydrophobicContact CD1-CD1 4.26Å; L310-I314 HydrophobicContact CD1-CG2 4.46Å; L310-I314 PolarHBondContact O-N 2.7Å
315L96.3Very high95.5Very high11 Ų1160.4 Ų60.46%0.05832%0.318CS..SBendtrans-71.3144.2-177.8-65178.8000111.5M244 L248 L310 Q320 F325M244-L315 HydrophobicContact CB-CD2 4.18Å; M244-L315 HydrophobicContact CG-CD2 4.19Å; L248-L315 HydrophobicContact CD1-CD2 4.13Å; L310-L315 HydrophobicContact CD1-CG 4.22Å; L310-L315 HydrophobicContact CG-CD1 4.08Å; L310-L315 HydrophobicContact CG-CG 4.23Å; L310-L315 WeakPolarHBondContact O-CG 3.41Å; L310-L315 PolarHBondContact O-N 3.18Å; L315-Q320 HydrophobicContact CB-CG 4.42Å; L315-F325 HydrophobicContact CD1-CZ 4.2Å; L315-F325 HydrophobicContact CD2-CE1 3.82Å; L315-F325 HydrophobicContact CD2-CZ 3.81Å
316S93.9Very high95.5Very high10 Ų1061.9 Ų61.97%0.0732%0.323CS..  trans-78156.8171.273.70000111.2M244 N318 T319 Q320M244-S316 PolarHBondContact SD-N 3.45Å; S316-N318 VanDerWaalsContact C-N 3.3Å; S316-N318 PolarHBondContact O-N 2.96Å; S316-N318 PolarHBondContact OG-OD1 3.2Å; S316-N318 VanDerWaalsContact OG-OD1 3.09Å; S316-T319 WeakPolarHBondContact CA-OG1 3.31Å; S316-T319 PolarHBondContact N-OG1 2.85Å; S316-T319 PolarHBondContact O-N 3.42Å; S316-T319 PolarHBondContact O-OG1 3.33Å; S316-T319 VanDerWaalsContact OG-CG2 3.24Å; S316-T319 WeakPolarHBondContact OG-CG2 3.49Å; S316-T319 PolarHBondContact OG-OG1 2.91Å; S316-Q320 WeakPolarHBondContact O-CG 3.41Å; S316-Q320 PolarHBondContact O-N 3.29Å
317P92.4Very high95.5Very high108 Ų10859.5 Ų59.570%0.70131%0.306SS*.G310 helixtrans-52-42.2-175.1-29.936.1000114.6T319P317-T319 PolarHBondContact O-N 2.68Å
318N92.4Very high95.6Very high67 Ų6757.1 Ų57.136%0.35829%0.292SS..G310 helixtrans-86.213.9-179.969.9-26000114S237 N240 S316S237-N318 WeakPolarHBondContact CB-O 3.44Å; N240-N318 PolarHBondContact ND2-ND2 3.22Å; N240-N318 VanDerWaalsContact ND2-ND2 3.19Å; N240-N318 PolarHBondContact ND2-OD1 3.34Å; S316-N318 VanDerWaalsContact C-N 3.3Å; S316-N318 PolarHBondContact O-N 2.96Å; S316-N318 PolarHBondContact OG-OD1 3.2Å; S316-N318 VanDerWaalsContact OG-OD1 3.09Å
319T94.9Very high95.7Very high0 Ų052.9 Ų52.90%027%0.272CS..G310 helixtrans-126.11.917758.50000112.9N240 V241 M244 S316 P317 D321 E322N240-T319 HydrophobicContact CB-CG2 3.86Å; V241-T319 HydrophobicContact CG2-CG2 3.9Å; M244-T319 HydrophobicContact CG-CG2 3.93Å; M244-T319 WeakPolarHBondContact CG-OG1 3.2Å; S316-T319 WeakPolarHBondContact CA-OG1 3.31Å; S316-T319 PolarHBondContact N-OG1 2.85Å; S316-T319 PolarHBondContact O-N 3.42Å; S316-T319 PolarHBondContact O-OG1 3.33Å; S316-T319 VanDerWaalsContact OG-CG2 3.24Å; S316-T319 WeakPolarHBondContact OG-CG2 3.49Å; S316-T319 PolarHBondContact OG-OG1 2.91Å; P317-T319 PolarHBondContact O-N 2.68Å; T319-D321 PolarHBondContact O-N 3.14Å; T319-E322 WeakPolarHBondContact O-CB 3.42Å; T319-E322 WeakPolarHBondContact O-CG 3.17Å; T319-E322 PolarHBondContact O-N 3.36Å
320Q92.5Very high95.8Very high44 Ų4449.6 Ų49.621%0.20626%0.256CS..THydrogen-bonded Turntrans-67.6-24.6-175.4-67.7-172.7-21.700113.7R311 L315 S316R311-Q320 HydrophobicContact CG-CB 4.01Å; R311-Q320 HydrophobicContact CG-CG 3.88Å; R311-Q320 VanDerWaalsContact CZ-OE1 3.32Å; R311-Q320 PolarHBondContact NH1-O 3Å; R311-Q320 PolarHBondContact O-NE2 3.16Å; L315-Q320 HydrophobicContact CB-CG 4.42Å; S316-Q320 WeakPolarHBondContact O-CG 3.41Å; S316-Q320 PolarHBondContact O-N 3.29Å
321D90.3Very high95.8Very high116 Ų11649.5 Ų49.562%0.6226%0.256SS*.THydrogen-bonded Turntrans-96.70.8-177.4-56.6-33000112.4R311 T319 L323R311-D321 IonicContact CZ-OD1 3.67Å; R311-D321 IonicContact NH1-OD1 2.95Å; R311-D321 PolarHBondContact NH1-OD1 2.86Å; R311-D321 IonicContact NH2-OD1 3.41Å; R311-D321 PolarHBondContact NH2-OD1 2.83Å; T319-D321 PolarHBondContact O-N 3.14Å; D321-L323 PolarHBondContact O-N 3.08Å
322E95.3Very high96Very high55 Ų5547.2 Ų47.226%0.25725%0.248SC..  trans-63.5130.8171-65.4-61.7153.300110.4V241 R296 T319 F325V241-E322 HydrophobicContact CG1-CG 4.49Å; V241-E322 HydrophobicContact CG2-CG 3.82Å; V241-E322 WeakPolarHBondContact CG2-OE1 3.42Å; R296-E322 WeakPolarHBondContact CD-O 3.17Å; T319-E322 WeakPolarHBondContact O-CB 3.42Å; T319-E322 WeakPolarHBondContact O-CG 3.17Å; T319-E322 PolarHBondContact O-N 3.36Å; E322-F325 HydrophobicContact CB-CE1 4Å; E322-F325 HydrophobicContact CB-CZ 3.83Å
323L95.6Very high96.2Very high109 Ų10943.6 Ų43.657%0.57123%0.226SC*.  trans-94.7-28.6-174.4-60.3-179.6000112.8D321D321-L323 PolarHBondContact O-N 3.08Å
324T97.6Very high96.4Very high75 Ų7536.7 Ų36.746%0.4619%0.194SC..EExtended strand (participates in β ladder)trans-139.5146.9-172.159.30000111.7P293 Y294P293-T324 HydrophobicContact CB-CG2 4.39Å; Y294-T324 CarbonylContact O-C 3.58Å; Y294-T324 VanDerWaalsContact O-CA 3.24Å; Y294-T324 WeakPolarHBondContact O-CA 3.46Å
325F98.6Very high96.6Very high0 Ų035.9 Ų35.90%019%0.19CC..EExtended strand (participates in β ladder)trans-132.6125.6-176.8-57.9-90.6000111.3E245 L248 Y294 R296 I299 L315 E322 L327E245-F325 HydrophobicContact CG-CB 4.1Å; E245-F325 HydrophobicContact CG-CD1 3.97Å; L248-F325 HydrophobicContact CD1-CD1 3.55Å; L248-F325 HydrophobicContact CD1-CD2 4.34Å; L248-F325 HydrophobicContact CD1-CE1 3.75Å; L248-F325 HydrophobicContact CD1-CG 3.87Å; L248-F325 HydrophobicContact CD1-CZ 4.25Å; Y294-F325 PolarHBondContact N-O 3.3Å; Y294-F325 PolarHBondContact O-N 3.39Å; R296-F325 HydrophobicContact CG-CE2 3.86Å; I299-F325 HydrophobicContact CD1-CB 4.04Å; I299-F325 HydrophobicContact CD1-CD2 3.46Å; I299-F325 VanDerWaalsContact CD1-CD2 3.46Å; I299-F325 HydrophobicContact CD1-CE2 4.17Å; I299-F325 HydrophobicContact CD1-CG 3.9Å; L315-F325 HydrophobicContact CD1-CZ 4.2Å; L315-F325 HydrophobicContact CD2-CE1 3.82Å; L315-F325 HydrophobicContact CD2-CZ 3.81Å; E322-F325 HydrophobicContact CB-CE1 4Å; E322-F325 HydrophobicContact CB-CZ 3.83Å; F325-L327 HydrophobicContact CB-CD2 3.68Å; F325-L327 HydrophobicContact CB-CG 4.33Å; F325-L327 PolarHBondContact O-N 2.84Å; F325-L327 VanDerWaalsContact O-N 3.12Å
326K98.8Very high96.7Very high58 Ų5836.4 Ų36.425%0.25219%0.194SC..  trans-89.967.5-178.1-63-153.4-163.91730112.1E245 P293 Y328 R330 E375E245-K326 WeakPolarHBondContact OE1-CB 3.47Å; E245-K326 PolarHBondContact OE1-N 2.98Å; P293-K326 HydrophobicContact CB-CG 4.28Å; P293-K326 HydrophobicContact CG-CG 4.17Å; K326-Y328 PolarHBondContact O-N 3.24Å; K326-R330 VanDerWaalsContact CB-NH2 3.35Å; K326-R330 WeakPolarHBondContact O-CG 3.23Å; K326-R330 PolarHBondContact O-N 2.96Å; K326-E375 WeakPolarHBondContact CD-OE2 3.41Å; K326-E375 WeakPolarHBondContact CE-OE2 3.26Å; K326-E375 IonicContact NZ-OE1 3.03Å; K326-E375 PolarHBondContact NZ-OE1 3.21Å; K326-E375 IonicContact NZ-OE2 3.82Å; K326-E375 PolarHBondContact NZ-OE2 3.36Å
327L98.8Very high97Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-59.7-47.5-171.2-53.2-170.8000112.5E245 L248 A249 V252 L289 Y294 I299 F325 R330 A331E245-L327 WeakPolarHBondContact O-CD2 3.32Å; L248-L327 HydrophobicContact CB-CD2 3.63Å; A249-L327 HydrophobicContact CB-CB 3.95Å; A249-L327 HydrophobicContact CB-CD2 4.39Å; V252-L327 HydrophobicContact CG2-CD1 4.06Å; L289-L327 HydrophobicContact CD1-CB 4.08Å; L289-L327 HydrophobicContact CD2-CB 4.41Å; Y294-L327 HydrophobicContact CD1-CD1 3.96Å; Y294-L327 HydrophobicContact CD2-CB 4.04Å; Y294-L327 HydrophobicContact CD2-CD1 3.81Å; Y294-L327 HydrophobicContact CD2-CG 3.75Å; Y294-L327 HydrophobicContact CE1-CD1 4.29Å; Y294-L327 HydrophobicContact CE2-CB 4.16Å; Y294-L327 HydrophobicContact CE2-CD1 4.14Å; Y294-L327 HydrophobicContact CE2-CG 4.28Å; Y294-L327 HydrophobicContact CG-CD1 3.7Å; Y294-L327 HydrophobicContact CG-CG 4Å; I299-L327 HydrophobicContact CD1-CD1 4.4Å; I299-L327 HydrophobicContact CG1-CD1 4.4Å; F325-L327 HydrophobicContact CB-CD2 3.68Å; F325-L327 HydrophobicContact CB-CG 4.33Å; F325-L327 PolarHBondContact O-N 2.84Å; F325-L327 VanDerWaalsContact O-N 3.12Å; L327-R330 PolarHBondContact O-N 2.93Å; L327-A331 WeakPolarHBondContact O-CB 3.36Å; L327-A331 PolarHBondContact O-N 3.24Å
328Y98.9Very high97.3Very high32 Ų3231 Ų3113%0.12516%0.159CC..Hα-helixtrans-58.5-51.3-178.4171.3-92.1000112T285 E286 L289 H290 A291 K326 R330 A331 K332 M373T285-Y328 HydrophobicContact CG2-CD2 4.18Å; E286-Y328 VanDerWaalsContact CD-OH 3.31Å; E286-Y328 PolarHBondContact OE1-OH 3.09Å; E286-Y328 WeakPolarHBondContact OE2-CE2 3.27Å; E286-Y328 PolarHBondContact OE2-OH 3.42Å; L289-Y328 HydrophobicContact CB-CD2 4.21Å; L289-Y328 WeakPolarHBondContact O-CD2 3.28Å; H290-Y328 WeakPolarHBondContact O-CB 3.46Å; A291-Y328 HydrophobicContact CB-CD1 4.2Å; A291-Y328 HydrophobicContact CB-CE1 4.42Å; K326-Y328 PolarHBondContact O-N 3.24Å; Y328-R330 VanDerWaalsContact C-N 3.28Å; Y328-R330 PolarHBondContact O-N 2.9Å; Y328-A331 PolarHBondContact O-N 3.45Å; Y328-K332 HydrophobicContact CD1-CG 4.24Å; Y328-K332 HydrophobicContact CD2-CG 4.38Å; Y328-K332 HydrophobicContact CE1-CG 3.9Å; Y328-K332 HydrophobicContact CE2-CD 4.46Å; Y328-K332 HydrophobicContact CE2-CG 4.09Å; Y328-K332 HydrophobicContact CG-CG 4.47Å; Y328-K332 WeakPolarHBondContact O-CB 3.38Å; Y328-K332 WeakPolarHBondContact O-CG 3.31Å; Y328-K332 PolarHBondContact O-N 2.91Å; Y328-K332 WeakPolarHBondContact OH-CE 3.4Å; Y328-M373 HydrophobicContact CE1-CE 4.28Å
329Q98.9Very high97.6Very high31 Ų3128.2 Ų28.215%0.14515%0.146CC..Hα-helixtrans-64.9-37.1-175.6-64.874.512.500111.3A291 H333 M373A291-Q329 PolarHBondContact O-NE2 3.47Å; Q329-H333 WeakPolarHBondContact O-CB 3.41Å; Q329-H333 PolarHBondContact O-N 3.31Å; Q329-M373 HydrophobicContact CB-CE 4.07Å; Q329-M373 VanDerWaalsContact CB-O 3.28Å; Q329-M373 WeakPolarHBondContact CB-O 3.19Å; Q329-M373 HydrophobicContact CG-CE 4.08Å
330R98.9Very high97.8Very high3 Ų329.1 Ų29.11%0.01115%0.149CC..Hα-helixtrans-71.4-43.4-177.6-62.5-8.7169.1-153.2-3.2110.2E245 K326 L327 Y328 H333 V334 M373 Y374 E375E245-R330 HydrophobicContact CB-CB 4.32Å; E245-R330 HydrophobicContact CB-CG 3.6Å; E245-R330 HydrophobicContact CG-CG 4.32Å; E245-R330 IonicContact OE1-CZ 3.49Å; E245-R330 IonicContact OE1-NE 3.98Å; E245-R330 PolarHBondContact OE1-NE 3.49Å; E245-R330 IonicContact OE1-NH2 3.55Å; E245-R330 PolarHBondContact OE1-NH2 3.23Å; E245-R330 WeakPolarHBondContact OE2-CG 3.47Å; E245-R330 IonicContact OE2-CZ 3.07Å; E245-R330 IonicContact OE2-NE 2.71Å; E245-R330 PolarHBondContact OE2-NE 3Å; E245-R330 IonicContact OE2-NH2 2.88Å; K326-R330 VanDerWaalsContact CB-NH2 3.35Å; K326-R330 WeakPolarHBondContact O-CG 3.23Å; K326-R330 PolarHBondContact O-N 2.96Å; L327-R330 PolarHBondContact O-N 2.93Å; Y328-R330 VanDerWaalsContact C-N 3.28Å; Y328-R330 PolarHBondContact O-N 2.9Å; R330-H333 PolarHBondContact O-N 3.36Å; R330-V334 WeakPolarHBondContact O-CB 3.44Å; R330-V334 VanDerWaalsContact O-CG2 3.24Å; R330-V334 WeakPolarHBondContact O-CG2 3.39Å; R330-V334 PolarHBondContact O-N 3.44Å; R330-M373 PolarHBondContact NH1-O 3.34Å; R330-Y374 HydrophobicContact CB-CD2 4.46Å; R330-Y374 HydrophobicContact CB-CE2 3.95Å; R330-Y374 HydrophobicContact CG-CD2 4.47Å; R330-Y374 HydrophobicContact CG-CE2 4.11Å; R330-E375 IonicContact CZ-OE2 2.81Å; R330-E375 VanDerWaalsContact CZ-OE2 3.22Å; R330-E375 IonicContact NH1-OE2 2.77Å; R330-E375 PolarHBondContact NH1-OE2 2.82Å; R330-E375 IonicContact NH2-OE2 2.67Å; R330-E375 PolarHBondContact NH2-OE2 3.48Å
331A98.9Very high98.1Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-60.7-48.1173.500000111.8A249 L253 L267 T285 L289 L327 Y328 H333 V334 Y335A249-A331 HydrophobicContact CB-CB 4.27Å; L253-A331 HydrophobicContact CD1-CB 4.43Å; L267-A331 HydrophobicContact CD2-CB 4.31Å; T285-A331 HydrophobicContact CG2-CB 3.67Å; L289-A331 HydrophobicContact CD1-CB 3.96Å; L327-A331 WeakPolarHBondContact O-CB 3.36Å; L327-A331 PolarHBondContact O-N 3.24Å; Y328-A331 PolarHBondContact O-N 3.45Å; A331-H333 VanDerWaalsContact C-N 3.35Å; A331-H333 PolarHBondContact O-N 3.33Å; A331-V334 PolarHBondContact O-N 2.7Å; A331-Y335 HydrophobicContact CB-CD2 4.31Å; A331-Y335 HydrophobicContact CB-CE2 3.97Å; A331-Y335 WeakPolarHBondContact O-CD2 3.5Å; A331-Y335 PolarHBondContact O-N 3.26Å
332K98.9Very high98.5Very high34 Ų3425.9 Ų25.915%0.14813%0.133CC..Hα-helixtrans-57.5-44.9176.5-77.4-66.6-159.7-179.40112.6L282 T285 E286 Y328 S336 M373L282-K332 HydrophobicContact CD2-CD 3.71Å; L282-K332 PolarHBondContact O-NZ 2.73Å; T285-K332 HydrophobicContact CG2-CD 4.11Å; T285-K332 HydrophobicContact CG2-CG 3.99Å; E286-K332 WeakPolarHBondContact OE2-CE 3.49Å; E286-K332 IonicContact OE2-NZ 2.66Å; E286-K332 PolarHBondContact OE2-NZ 3.3Å; Y328-K332 HydrophobicContact CD1-CG 4.24Å; Y328-K332 HydrophobicContact CD2-CG 4.38Å; Y328-K332 HydrophobicContact CE1-CG 3.9Å; Y328-K332 HydrophobicContact CE2-CD 4.46Å; Y328-K332 HydrophobicContact CE2-CG 4.09Å; Y328-K332 HydrophobicContact CG-CG 4.47Å; Y328-K332 WeakPolarHBondContact O-CB 3.38Å; Y328-K332 WeakPolarHBondContact O-CG 3.31Å; Y328-K332 PolarHBondContact O-N 2.91Å; Y328-K332 WeakPolarHBondContact OH-CE 3.4Å; K332-S336 VanDerWaalsContact O-CB 3.27Å; K332-S336 WeakPolarHBondContact O-CB 3.38Å; K332-S336 PolarHBondContact O-N 3.5Å; K332-S336 PolarHBondContact O-OG 3.34Å; K332-M373 HydrophobicContact CB-CE 3.63Å; K332-M373 HydrophobicContact CG-CE 4.14Å
333H98.9Very high98.6Very high0 Ų026.9 Ų26.90%014%0.138CC..Hα-helixtrans-57.1-55.5174173.168.6000110.6E48 Q329 R330 A331 Y335 S336 E337 S369 C370 M373 Y374E48-H333 PolarHBondContact O-NE2 3.48Å; Q329-H333 WeakPolarHBondContact O-CB 3.41Å; Q329-H333 PolarHBondContact O-N 3.31Å; R330-H333 PolarHBondContact O-N 3.36Å; A331-H333 VanDerWaalsContact C-N 3.35Å; A331-H333 PolarHBondContact O-N 3.33Å; H333-Y335 PolarHBondContact O-N 3.37Å; H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 PolarHBondContact O-OG 2.8Å; H333-S336 VanDerWaalsContact O-OG 3.07Å; H333-E337 WeakPolarHBondContact O-CB 3.15Å; H333-E337 PolarHBondContact O-N 2.99Å; H333-S369 PolarHBondContact ND1-OG 2.94Å; H333-C370 VanDerWaalsContact CE1-SG 3.59Å; H333-M373 HydrophobicContact CB-CB 4.08Å; H333-Y374 HydrophobicContact CB-CD2 3.58Å; H333-Y374 HydrophobicContact CB-CE2 4.33Å; H333-Y374 HydrophobicContact CB-CG 4.37Å; H333-Y374 AromaticContact CD2-CD2 3.05Å; H333-Y374 WeakPolarHBondContact CD2-CD2 3.37Å; H333-Y374 AromaticContact CD2-CE2 3.51Å; H333-Y374 AromaticContact CD2-CG 3.44Å; H333-Y374 VanDerWaalsContact CD2-CG 3.44Å; H333-Y374 AromaticContact CG-CD2 3.38Å; H333-Y374 AromaticContact CG-CG 3.82Å; H333-Y374 AromaticContact NE2-CD2 3.92Å; H333-Y374 AromaticContact NE2-CG 3.84Å
334V98.9Very high98.8Very high0 Ų021.7 Ų21.70%011%0.111CC..Hα-helixtrans-60.3-52.2-172.71690000112.3I50 C53 Y55 L267 R330 A331 S336 E337 A338 Y374I50-V334 HydrophobicContact CB-CG1 4.32Å; I50-V334 HydrophobicContact CG2-CB 4.15Å; I50-V334 HydrophobicContact CG2-CG1 3.92Å; I50-V334 HydrophobicContact CG2-CG2 4.18Å; C53-V334 HydrophobicContact CB-CG1 3.77Å; Y55-V334 HydrophobicContact CD2-CG1 3.62Å; Y55-V334 HydrophobicContact CE2-CG1 3.67Å; L267-V334 HydrophobicContact CB-CG1 4.24Å; L267-V334 HydrophobicContact CD1-CB 3.7Å; L267-V334 HydrophobicContact CD1-CG1 3.68Å; L267-V334 HydrophobicContact CD1-CG2 3.82Å; R330-V334 WeakPolarHBondContact O-CB 3.44Å; R330-V334 VanDerWaalsContact O-CG2 3.24Å; R330-V334 WeakPolarHBondContact O-CG2 3.39Å; R330-V334 PolarHBondContact O-N 3.44Å; A331-V334 PolarHBondContact O-N 2.7Å; V334-S336 PolarHBondContact O-N 3.29Å; V334-E337 PolarHBondContact O-N 2.94Å; V334-A338 WeakPolarHBondContact O-CB 3.39Å; V334-A338 PolarHBondContact O-N 3.02Å; V334-Y374 HydrophobicContact CG2-CE2 4.27Å
335Y98.9Very high98.8Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-65.3-39.5-178.3-62.6-62.9000111.9Y55 L253 L267 L278 M281 T285 A331 H333 A339Y55-Y335 HydrophobicContact CE2-CD1 4.05Å; Y55-Y335 HydrophobicContact CE2-CE1 4.16Å; Y55-Y335 AromaticContact CZ-CD1 3.88Å; Y55-Y335 WeakPolarHBondContact OH-CD1 3.35Å; Y55-Y335 WeakPolarHBondContact OH-CE1 3.45Å; L253-Y335 HydrophobicContact CD1-CE2 4.02Å; L253-Y335 WeakPolarHBondContact CD1-OH 3.31Å; L267-Y335 HydrophobicContact CB-CE1 4.02Å; L267-Y335 HydrophobicContact CD2-CE2 4.12Å; L267-Y335 WeakPolarHBondContact CD2-OH 3.29Å; L267-Y335 PolarHBondContact O-OH 2.74Å; L278-Y335 HydrophobicContact CD2-CD1 4.12Å; M281-Y335 HydrophobicContact CB-CD1 3.79Å; M281-Y335 HydrophobicContact CB-CD2 4.22Å; M281-Y335 HydrophobicContact CB-CE1 3.98Å; M281-Y335 HydrophobicContact CB-CE2 4.42Å; M281-Y335 HydrophobicContact CB-CG 3.94Å; M281-Y335 HydrophobicContact CE-CE1 3.69Å; M281-Y335 HydrophobicContact CE-CE2 3.91Å; M281-Y335 WeakPolarHBondContact CE-OH 3.3Å; M281-Y335 HydrophobicContact CG-CD1 4.23Å; M281-Y335 HydrophobicContact CG-CE1 4.05Å; T285-Y335 WeakPolarHBondContact OG1-CD2 3.42Å; T285-Y335 WeakPolarHBondContact OG1-CE2 3.29Å; A331-Y335 HydrophobicContact CB-CD2 4.31Å; A331-Y335 HydrophobicContact CB-CE2 3.97Å; A331-Y335 WeakPolarHBondContact O-CD2 3.5Å; A331-Y335 PolarHBondContact O-N 3.26Å; H333-Y335 PolarHBondContact O-N 3.37Å; Y335-A339 PolarHBondContact O-N 3.45Å
336S98.9Very high98.8Very high22 Ų2224.6 Ų24.615%0.15412%0.118CC..Hα-helixtrans-71-32.8177.871.90000112.8K332 H333 V334 A339 R340K332-S336 VanDerWaalsContact O-CB 3.27Å; K332-S336 WeakPolarHBondContact O-CB 3.38Å; K332-S336 PolarHBondContact O-N 3.5Å; K332-S336 PolarHBondContact O-OG 3.34Å; H333-S336 PolarHBondContact O-N 3.13Å; H333-S336 PolarHBondContact O-OG 2.8Å; H333-S336 VanDerWaalsContact O-OG 3.07Å; V334-S336 PolarHBondContact O-N 3.29Å; S336-A339 PolarHBondContact O-N 2.96Å; S336-R340 VanDerWaalsContact C-CZ 3.5Å; S336-R340 VanDerWaalsContact CB-NH1 3.31Å; S336-R340 WeakPolarHBondContact O-CG 3.35Å; S336-R340 PolarHBondContact O-N 2.92Å; S336-R340 VanDerWaalsContact O-N 3.09Å; S336-R340 PolarHBondContact O-NH1 3.1Å; S336-R340 PolarHBondContact OG-NH1 2.9Å; S336-R340 PolarHBondContact OG-NH2 3.08Å; S336-R340 VanDerWaalsContact OG-NH2 3.16Å
337E98.9Very high98.8Very high0 Ų022.7 Ų22.70%011%0.111CC..Hα-helixtrans-71.7-40.7177.2-173.572.7178.300111.1G47 E48 I50 H333 V334 A339 R340 V341 S366G47-E337 WeakPolarHBondContact CA-OE1 3.26Å; G47-E337 PolarHBondContact N-OE1 3.1Å; E48-E337 PolarHBondContact N-OE1 3.21Å; E48-E337 VanDerWaalsContact N-OE1 3.13Å; I50-E337 HydrophobicContact CD1-CG 4.24Å; I50-E337 HydrophobicContact CG2-CB 3.85Å; I50-E337 HydrophobicContact CG2-CG 3.95Å; H333-E337 WeakPolarHBondContact O-CB 3.15Å; H333-E337 PolarHBondContact O-N 2.99Å; V334-E337 PolarHBondContact O-N 2.94Å; E337-A339 VanDerWaalsContact C-N 3.27Å; E337-A339 PolarHBondContact O-N 3.3Å; E337-R340 VanDerWaalsContact CA-NH2 3.25Å; E337-R340 WeakPolarHBondContact O-CB 3.43Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 IonicContact OE2-CZ 3.12Å; E337-R340 IonicContact OE2-NE 2.76Å; E337-R340 PolarHBondContact OE2-NE 2.92Å; E337-R340 IonicContact OE2-NH2 2.67Å; E337-R340 PolarHBondContact OE2-NH2 2.88Å; E337-V341 WeakPolarHBondContact O-CG2 3.34Å; E337-V341 PolarHBondContact O-N 3.47Å; E337-S366 VanDerWaalsContact CD-OG 3.27Å; E337-S366 WeakPolarHBondContact OE1-CB 3.41Å; E337-S366 PolarHBondContact OE1-OG 3.23Å; E337-S366 WeakPolarHBondContact OE2-CA 3.17Å; E337-S366 VanDerWaalsContact OE2-CB 3.26Å; E337-S366 WeakPolarHBondContact OE2-CB 3.41Å; E337-S366 PolarHBondContact OE2-OG 2.64Å
338A98.9Very high98.8Very high5 Ų523.5 Ų23.54%0.04112%0.117CC..Hα-helixtrans-58.1-40.5171.600000111.7I50 Y55 L278 V334 V341 L342I50-A338 HydrophobicContact CD1-CB 4.19Å; Y55-A338 HydrophobicContact CD1-CB 3.67Å; Y55-A338 HydrophobicContact CD2-CB 4.08Å; Y55-A338 HydrophobicContact CE1-CB 4.18Å; Y55-A338 HydrophobicContact CG-CB 3.61Å; L278-A338 HydrophobicContact CD1-CB 3.99Å; L278-A338 HydrophobicContact CD2-CB 4.01Å; V334-A338 WeakPolarHBondContact O-CB 3.39Å; V334-A338 PolarHBondContact O-N 3.02Å; A338-V341 PolarHBondContact O-N 3.2Å; A338-L342 PolarHBondContact O-N 3.02Å
339A98.8Very high98.7Very high9 Ų927.8 Ų27.87%0.07414%0.138CC..Hα-helixtrans-65.1-42.1177.300000111.3L278 Y335 S336 E337 V341 L342 Q343L278-A339 HydrophobicContact CB-CB 4.18Å; L278-A339 HydrophobicContact CD1-CB 3.87Å; Y335-A339 PolarHBondContact O-N 3.45Å; S336-A339 PolarHBondContact O-N 2.96Å; E337-A339 VanDerWaalsContact C-N 3.27Å; E337-A339 PolarHBondContact O-N 3.3Å; A339-V341 VanDerWaalsContact C-N 3.29Å; A339-V341 PolarHBondContact O-N 3.42Å; A339-L342 PolarHBondContact O-N 2.99Å; A339-Q343 VanDerWaalsContact O-CG 3.32Å; A339-Q343 WeakPolarHBondContact O-CG 3.38Å; A339-Q343 PolarHBondContact O-N 3.02Å
340R98.9Very high98.7Very high19 Ų1932.2 Ų32.27%0.07216%0.159CC..Hα-helixtrans-60.9-35.4175.9-74.5-175.5-71.7-81.22.6112.8I46 S336 E337 Q343 F344 L362 S369I46-R340 HydrophobicContact CD1-CB 3.8Å; I46-R340 HydrophobicContact CG1-CB 4.44Å; S336-R340 VanDerWaalsContact C-CZ 3.5Å; S336-R340 VanDerWaalsContact CB-NH1 3.31Å; S336-R340 WeakPolarHBondContact O-CG 3.35Å; S336-R340 PolarHBondContact O-N 2.92Å; S336-R340 VanDerWaalsContact O-N 3.09Å; S336-R340 PolarHBondContact O-NH1 3.1Å; S336-R340 PolarHBondContact OG-NH1 2.9Å; S336-R340 PolarHBondContact OG-NH2 3.08Å; S336-R340 VanDerWaalsContact OG-NH2 3.16Å; E337-R340 VanDerWaalsContact CA-NH2 3.25Å; E337-R340 WeakPolarHBondContact O-CB 3.43Å; E337-R340 PolarHBondContact O-N 3.02Å; E337-R340 IonicContact OE2-CZ 3.12Å; E337-R340 IonicContact OE2-NE 2.76Å; E337-R340 PolarHBondContact OE2-NE 2.92Å; E337-R340 IonicContact OE2-NH2 2.67Å; E337-R340 PolarHBondContact OE2-NH2 2.88Å; R340-Q343 PolarHBondContact O-N 2.83Å; R340-F344 VanDerWaalsContact O-CB 3.28Å; R340-F344 WeakPolarHBondContact O-CB 3.33Å; R340-F344 PolarHBondContact O-N 3.16Å; R340-L362 HydrophobicContact CB-CD2 4.41Å; R340-L362 HydrophobicContact CG-CD2 4.08Å; R340-S369 VanDerWaalsContact NH2-CB 3.31Å; R340-S369 PolarHBondContact NH2-OG 3.44Å
341V98.9Very high98.6Very high1 Ų135.3 Ų35.31%0.00619%0.185CC..Hα-helixtrans-61.9-47.7175.2171.40000111.2I46 I50 L58 L203 E337 A338 A339 F344 K345I46-V341 HydrophobicContact CG2-CG2 4.16Å; I50-V341 HydrophobicContact CD1-CG2 3.95Å; L58-V341 HydrophobicContact CB-CG1 4.3Å; L203-V341 HydrophobicContact CD1-CG1 3.52Å; E337-V341 WeakPolarHBondContact O-CG2 3.34Å; E337-V341 PolarHBondContact O-N 3.47Å; A338-V341 PolarHBondContact O-N 3.2Å; A339-V341 VanDerWaalsContact C-N 3.29Å; A339-V341 PolarHBondContact O-N 3.42Å; V341-F344 PolarHBondContact O-N 3.42Å; V341-K345 PolarHBondContact O-N 3.06Å
342L98.8Very high98.5Very high91 Ų9137.3 Ų37.348%0.47620%0.198SC..Hα-helixtrans-64.9-42.2179.5-60.4-179000111.4L278 A338 A339 K345 Q346L278-L342 HydrophobicContact CD1-CD1 4.02Å; A338-L342 PolarHBondContact O-N 3.02Å; A339-L342 PolarHBondContact O-N 2.99Å; L342-K345 PolarHBondContact O-N 2.81Å; L342-Q346 WeakPolarHBondContact O-CB 3.24Å; L342-Q346 PolarHBondContact O-N 3.29Å
343Q98.8Very high98.3Very high76 Ų7644.4 Ų44.436%0.35524%0.237SC..Hα-helixtrans-62.3-42174.5-70.5170-7.400111.9A339 R340 K345 Q346 V347 L362A339-Q343 VanDerWaalsContact O-CG 3.32Å; A339-Q343 WeakPolarHBondContact O-CG 3.38Å; A339-Q343 PolarHBondContact O-N 3.02Å; R340-Q343 PolarHBondContact O-N 2.83Å; Q343-K345 PolarHBondContact O-N 2.82Å; Q343-Q346 PolarHBondContact O-N 2.95Å; Q343-V347 WeakPolarHBondContact O-CG2 3.46Å; Q343-V347 PolarHBondContact O-N 2.9Å; Q343-L362 HydrophobicContact CB-CD1 4.06Å; Q343-L362 HydrophobicContact CB-CD2 4.15Å
344F98.8Very high98.2Very high0 Ų048.5 Ų48.50%026%0.259CS..Hα-helixtrans-61.6-46.5177.7-167-73000110.8I45 I46 L58 L216 F222 R340 V341 Q346 V347 C348 L359 L362 M363I45-F344 HydrophobicContact CG2-CE1 3.99Å; I45-F344 HydrophobicContact CG2-CE2 3.94Å; I45-F344 HydrophobicContact CG2-CZ 3.46Å; I45-F344 VanDerWaalsContact CG2-CZ 3.46Å; I46-F344 HydrophobicContact CB-CD2 4.43Å; I46-F344 HydrophobicContact CD1-CD2 4.17Å; I46-F344 HydrophobicContact CG2-CB 3.85Å; I46-F344 HydrophobicContact CG2-CD1 4.39Å; I46-F344 HydrophobicContact CG2-CD2 3.88Å; I46-F344 HydrophobicContact CG2-CG 3.79Å; L58-F344 HydrophobicContact CD1-CB 4.4Å; L58-F344 HydrophobicContact CD1-CD1 3.65Å; L58-F344 HydrophobicContact CD1-CE1 4.38Å; L58-F344 HydrophobicContact CD1-CG 4.35Å; L216-F344 HydrophobicContact CD2-CE1 4.45Å; F222-F344 HydrophobicContact CZ-CZ 4.29Å; R340-F344 VanDerWaalsContact O-CB 3.28Å; R340-F344 WeakPolarHBondContact O-CB 3.33Å; R340-F344 PolarHBondContact O-N 3.16Å; V341-F344 PolarHBondContact O-N 3.42Å; F344-Q346 PolarHBondContact O-N 2.72Å; F344-V347 PolarHBondContact O-N 3.47Å; F344-C348 PolarHBondContact O-N 3.45Å; F344-C348 VanDerWaalsContact O-N 3.07Å; F344-C348 PolarHBondContact O-SG 3.4Å; F344-L359 HydrophobicContact CB-CD2 4.34Å; F344-L359 HydrophobicContact CD1-CD2 3.68Å; F344-L359 HydrophobicContact CD2-CB 4.3Å; F344-L359 HydrophobicContact CD2-CD2 3.59Å; F344-L359 HydrophobicContact CE1-CD1 4.4Å; F344-L359 HydrophobicContact CE1-CD2 3.76Å; F344-L359 HydrophobicContact CE2-CB 3.74Å; F344-L359 HydrophobicContact CE2-CD2 3.66Å; F344-L359 HydrophobicContact CE2-CG 4.18Å; F344-L359 HydrophobicContact CG-CD2 3.59Å; F344-L359 HydrophobicContact CZ-CB 4.05Å; F344-L359 HydrophobicContact CZ-CD1 4.17Å; F344-L359 HydrophobicContact CZ-CD2 3.74Å; F344-L359 HydrophobicContact CZ-CG 4.19Å; F344-L359 WeakPolarHBondContact O-CD2 3.45Å; F344-L362 HydrophobicContact CB-CD1 3.97Å; F344-L362 HydrophobicContact CD2-CB 4.32Å; F344-L362 HydrophobicContact CD2-CD1 4.26Å; F344-M363 HydrophobicContact CE2-CG 3.98Å; F344-M363 HydrophobicContact CE2-SD 4.25Å
345K98.6Very high98.1Very high38 Ų3849 Ų4917%0.16526%0.264CS..Hα-helixtrans-59-46.8174.9175.8175.2176.3-69.90111.4L58 L203 V214 V341 L342 Q343 V347 C348 E349L58-K345 HydrophobicContact CD1-CB 4.28Å; L203-K345 HydrophobicContact CB-CD 4.28Å; L203-K345 HydrophobicContact CD1-CD 4.49Å; L203-K345 HydrophobicContact CD2-CD 3.75Å; L203-K345 HydrophobicContact CG-CD 4.39Å; V214-K345 HydrophobicContact CG2-CD 4.36Å; V214-K345 HydrophobicContact CG2-CG 4.23Å; V341-K345 PolarHBondContact O-N 3.06Å; L342-K345 PolarHBondContact O-N 2.81Å; Q343-K345 PolarHBondContact O-N 2.82Å; K345-V347 VanDerWaalsContact C-N 3.35Å; K345-V347 PolarHBondContact O-N 3.38Å; K345-C348 WeakPolarHBondContact O-CB 3.43Å; K345-C348 PolarHBondContact O-N 2.93Å; K345-C348 VanDerWaalsContact O-N 3.13Å; K345-E349 WeakPolarHBondContact CE-OE1 3.36Å; K345-E349 HydrophobicContact CG-CG 4.45Å; K345-E349 IonicContact NZ-OE1 2.55Å; K345-E349 PolarHBondContact NZ-OE1 3.06Å; K345-E349 IonicContact NZ-OE2 2.69Å; K345-E349 PolarHBondContact NZ-OE2 2.88Å; K345-E349 WeakPolarHBondContact O-CG 3.26Å; K345-E349 PolarHBondContact O-N 2.93Å
346Q98.6Very high98Very high98 Ų9850.5 Ų50.546%0.45827%0.273SS..Hα-helixtrans-58.6-45.4179.4-178.1179.5-2.300111.7L342 Q343 F344 C348 E349 E350L342-Q346 WeakPolarHBondContact O-CB 3.24Å; L342-Q346 PolarHBondContact O-N 3.29Å; Q343-Q346 PolarHBondContact O-N 2.95Å; F344-Q346 PolarHBondContact O-N 2.72Å; Q346-C348 VanDerWaalsContact C-N 3.3Å; Q346-C348 PolarHBondContact O-N 2.64Å; Q346-E349 PolarHBondContact O-N 2.92Å; Q346-E349 VanDerWaalsContact O-N 3.11Å; Q346-E350 HydrophobicContact CG-CG 4.29Å; Q346-E350 VanDerWaalsContact CG-OE1 3.29Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.34Å; Q346-E350 PolarHBondContact NE2-OE1 3.08Å; Q346-E350 WeakPolarHBondContact O-CB 3.37Å; Q346-E350 WeakPolarHBondContact O-CG 3.44Å; Q346-E350 PolarHBondContact O-N 3.05Å
347V98.6Very high98Very high18 Ų1853.1 Ų53.111%0.10928%0.282CS..Hα-helixtrans-62.8-37.2176.8173.20000111.7Q343 F344 K345 E349 A351 P352 A355 L358 L359Q343-V347 WeakPolarHBondContact O-CG2 3.46Å; Q343-V347 PolarHBondContact O-N 2.9Å; F344-V347 PolarHBondContact O-N 3.47Å; K345-V347 VanDerWaalsContact C-N 3.35Å; K345-V347 PolarHBondContact O-N 3.38Å; V347-E349 VanDerWaalsContact C-N 3.34Å; V347-A351 WeakPolarHBondContact O-CA 3.47Å; V347-A351 PolarHBondContact O-N 3.05Å; V347-P352 HydrophobicContact CG1-CG 4.35Å; V347-P352 WeakPolarHBondContact O-CD 3.41Å; V347-A355 HydrophobicContact CG1-CB 4Å; V347-L358 HydrophobicContact CG1-CB 4.09Å; V347-L358 HydrophobicContact CG1-CD1 4.36Å; V347-L358 HydrophobicContact CG2-CB 4.36Å; V347-L358 HydrophobicContact CG2-CD1 4.39Å; V347-L359 HydrophobicContact CB-CD2 3.67Å; V347-L359 HydrophobicContact CB-CG 4.34Å; V347-L359 HydrophobicContact CG1-CD1 4.38Å; V347-L359 HydrophobicContact CG1-CD2 3.58Å; V347-L359 HydrophobicContact CG1-CG 3.68Å
348C98.1Very high98Very high17 Ų1755.6 Ų55.612%0.11530%0.295CS..Hα-helixtrans-65.1-35.7173.6-73.30000112.8V214 K215 F344 K345 Q346V214-C348 HydrophobicContact CG1-CB 3.74Å; K215-C348 WeakPolarHBondContact O-CB 3.28Å; F344-C348 PolarHBondContact O-N 3.45Å; F344-C348 VanDerWaalsContact O-N 3.07Å; F344-C348 PolarHBondContact O-SG 3.4Å; K345-C348 WeakPolarHBondContact O-CB 3.43Å; K345-C348 PolarHBondContact O-N 2.93Å; K345-C348 VanDerWaalsContact O-N 3.13Å; Q346-C348 VanDerWaalsContact C-N 3.3Å; Q346-C348 PolarHBondContact O-N 2.64Å
349E97.6Very high98Very high122 Ų12255.4 Ų55.457%0.5729%0.293SS*.Hα-helixtrans-76.2-42179.6-72.5177.8141.500112.6K345 Q346 V347K345-E349 WeakPolarHBondContact CE-OE1 3.36Å; K345-E349 HydrophobicContact CG-CG 4.45Å; K345-E349 IonicContact NZ-OE1 2.55Å; K345-E349 PolarHBondContact NZ-OE1 3.06Å; K345-E349 IonicContact NZ-OE2 2.69Å; K345-E349 PolarHBondContact NZ-OE2 2.88Å; K345-E349 WeakPolarHBondContact O-CG 3.26Å; K345-E349 PolarHBondContact O-N 2.93Å; Q346-E349 PolarHBondContact O-N 2.92Å; Q346-E349 VanDerWaalsContact O-N 3.11Å; V347-E349 VanDerWaalsContact C-N 3.34Å
350E97.9Very high97.9Very high124 Ų12455 Ų5558%0.57929%0.29SS*.Hα-helixtrans-74.9-29.4178.6-69.4176.3-176.900112.4Q346Q346-E350 HydrophobicContact CG-CG 4.29Å; Q346-E350 VanDerWaalsContact CG-OE1 3.29Å; Q346-E350 WeakPolarHBondContact CG-OE1 3.34Å; Q346-E350 PolarHBondContact NE2-OE1 3.08Å; Q346-E350 WeakPolarHBondContact O-CB 3.37Å; Q346-E350 WeakPolarHBondContact O-CG 3.44Å; Q346-E350 PolarHBondContact O-N 3.05Å
351A96.6Very high97.9Very high67 Ų6758 Ų5855%0.55431%0.305SS*.  trans46.453.3179.700000114.3V347V347-A351 WeakPolarHBondContact O-CA 3.47Å; V347-A351 PolarHBondContact O-N 3.05Å
352P96.9Very high97.9Very high42 Ų4258.5 Ų58.527%0.27331%0.308SS..  trans-63.6160.2177.329.6-36.7000111.7V347 N354 A355 L358V347-P352 HydrophobicContact CG1-CG 4.35Å; V347-P352 WeakPolarHBondContact O-CD 3.41Å; P352-N354 PolarHBondContact O-N 2.83Å; P352-A355 HydrophobicContact CG-CB 4.11Å; P352-A355 WeakPolarHBondContact O-CB 3.29Å; P352-A355 PolarHBondContact O-N 3.47Å; P352-L358 HydrophobicContact CG-CD1 3.93Å
353D95.4Very high97.9Very high184 Ų18454.2 Ų54.298%0.98429%0.285SS*.THydrogen-bonded Turntrans-55.7-30.9-178.5-67.6-23.5000113.3
354N96.2Very high98Very high86 Ų8651.7 Ų51.746%0.4627%0.274SS..THydrogen-bonded Turntrans-97.219.2176.868.9-24.1000113.8P352 V356 Q357 L358P352-N354 PolarHBondContact O-N 2.83Å; N354-V356 VanDerWaalsContact C-N 3.35Å; N354-V356 PolarHBondContact O-N 3.19Å; N354-Q357 WeakPolarHBondContact O-CB 3.47Å; N354-Q357 PolarHBondContact O-N 2.89Å; N354-L358 PolarHBondContact O-N 3.39Å; N354-L358 VanDerWaalsContact O-N 3.11Å; N354-L358 WeakPolarHBondContact OD1-CD1 3.33Å
355A97.3Very high98Very high11 Ų1155.2 Ų55.29%0.09129%0.291CS..Hα-helixtrans-51.2-48.2-175.400000113.1V347 P352 Q357 L358 L359V347-A355 HydrophobicContact CG1-CB 4Å; P352-A355 HydrophobicContact CG-CB 4.11Å; P352-A355 WeakPolarHBondContact O-CB 3.29Å; P352-A355 PolarHBondContact O-N 3.47Å; A355-Q357 PolarHBondContact O-N 2.98Å; A355-L358 PolarHBondContact O-N 3.09Å; A355-L358 VanDerWaalsContact O-N 3.17Å; A355-L359 WeakPolarHBondContact O-CB 3.35Å; A355-L359 WeakPolarHBondContact O-CG 3.25Å; A355-L359 PolarHBondContact O-N 2.82Å
356V97.3Very high98Very high31 Ų3153.4 Ų53.419%0.18828%0.283CS..Hα-helixtrans-59.3-36.1-179.1-178.20000111.8P217 A220 N354 G360 K394 I410P217-V356 HydrophobicContact CB-CG2 4.02Å; P217-V356 HydrophobicContact CG-CG2 4.24Å; A220-V356 HydrophobicContact CB-CG1 3.84Å; A220-V356 HydrophobicContact CB-CG2 4.07Å; N354-V356 VanDerWaalsContact C-N 3.35Å; N354-V356 PolarHBondContact O-N 3.19Å; V356-G360 PolarHBondContact O-N 2.94Å; V356-K394 HydrophobicContact CG1-CB 4.25Å; V356-K394 HydrophobicContact CG1-CG 3.94Å; V356-I410 HydrophobicContact CG1-CD1 3.99Å; V356-I410 HydrophobicContact CG1-CG1 4.18Å
357Q97.8Very high98Very high76 Ų7648.9 Ų48.936%0.35526%0.262SS..Hα-helixtrans-69-48.2177-179.463.534.600111N354 A355 G360 E361N354-Q357 WeakPolarHBondContact O-CB 3.47Å; N354-Q357 PolarHBondContact O-N 2.89Å; A355-Q357 PolarHBondContact O-N 2.98Å; Q357-G360 PolarHBondContact O-N 2.93Å; Q357-E361 PolarHBondContact NE2-OE1 3.39Å; Q357-E361 WeakPolarHBondContact O-CG 3.46Å; Q357-E361 PolarHBondContact O-N 3.45Å
358L98.5Very high98Very high53 Ų5353.4 Ų53.428%0.27728%0.277SS..Hα-helixtrans-61.2-46.4178.7-66.5174.5000112V347 P352 N354 A355 G360 E361 L362V347-L358 HydrophobicContact CG1-CB 4.09Å; V347-L358 HydrophobicContact CG1-CD1 4.36Å; V347-L358 HydrophobicContact CG2-CB 4.36Å; V347-L358 HydrophobicContact CG2-CD1 4.39Å; P352-L358 HydrophobicContact CG-CD1 3.93Å; N354-L358 PolarHBondContact O-N 3.39Å; N354-L358 VanDerWaalsContact O-N 3.11Å; N354-L358 WeakPolarHBondContact OD1-CD1 3.33Å; A355-L358 PolarHBondContact O-N 3.09Å; A355-L358 VanDerWaalsContact O-N 3.17Å; L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 3.44Å; L358-E361 WeakPolarHBondContact O-CB 3.48Å; L358-E361 PolarHBondContact O-N 2.74Å; L358-L362 WeakPolarHBondContact O-CG 3.3Å; L358-L362 PolarHBondContact O-N 2.89Å
359L98.7Very high98Very high0 Ų053.1 Ų53.10%028%0.275CS..Hα-helixtrans-61.4-40.7175.8-64.2174.9000111.3P217 F344 V347 A355 E361 L362 M363 I410P217-L359 HydrophobicContact CG-CD1 3.79Å; F344-L359 HydrophobicContact CB-CD2 4.34Å; F344-L359 HydrophobicContact CD1-CD2 3.68Å; F344-L359 HydrophobicContact CD2-CB 4.3Å; F344-L359 HydrophobicContact CD2-CD2 3.59Å; F344-L359 HydrophobicContact CE1-CD1 4.4Å; F344-L359 HydrophobicContact CE1-CD2 3.76Å; F344-L359 HydrophobicContact CE2-CB 3.74Å; F344-L359 HydrophobicContact CE2-CD2 3.66Å; F344-L359 HydrophobicContact CE2-CG 4.18Å; F344-L359 HydrophobicContact CG-CD2 3.59Å; F344-L359 HydrophobicContact CZ-CB 4.05Å; F344-L359 HydrophobicContact CZ-CD1 4.17Å; F344-L359 HydrophobicContact CZ-CD2 3.74Å; F344-L359 HydrophobicContact CZ-CG 4.19Å; F344-L359 WeakPolarHBondContact O-CD2 3.45Å; V347-L359 HydrophobicContact CB-CD2 3.67Å; V347-L359 HydrophobicContact CB-CG 4.34Å; V347-L359 HydrophobicContact CG1-CD1 4.38Å; V347-L359 HydrophobicContact CG1-CD2 3.58Å; V347-L359 HydrophobicContact CG1-CG 3.68Å; A355-L359 WeakPolarHBondContact O-CB 3.35Å; A355-L359 WeakPolarHBondContact O-CG 3.25Å; A355-L359 PolarHBondContact O-N 2.82Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 2.75Å; L359-L362 PolarHBondContact O-N 2.98Å; L359-M363 WeakPolarHBondContact O-CG 3.18Å; L359-M363 PolarHBondContact O-N 3.28Å; L359-I410 HydrophobicContact CB-CD1 4.25Å; L359-I410 HydrophobicContact CD1-CD1 4.44Å
360G98.7Very high98.1Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-60.8-41.7175.300000113V356 Q357 L358 M363 N364 K394 G395V356-G360 PolarHBondContact O-N 2.94Å; Q357-G360 PolarHBondContact O-N 2.93Å; L358-G360 VanDerWaalsContact C-N 3.3Å; L358-G360 PolarHBondContact O-N 3.44Å; G360-M363 PolarHBondContact O-N 2.93Å; G360-N364 PolarHBondContact O-N 3.09Å; G360-N364 PolarHBondContact O-ND2 2.77Å; G360-K394 CarbonylContact C-O 3.38Å; G360-K394 WeakPolarHBondContact CA-O 3.41Å; G360-G395 VanDerWaalsContact O-CA 3.31Å; G360-G395 WeakPolarHBondContact O-CA 3.35Å
361E98.8Very high98.1Very high82 Ų8245.3 Ų45.338%0.38324%0.235SC..Hα-helixtrans-62.9-43.4175.3-73.7169.4-160.600112.3Q357 L358 L359 M363 N364 Q365Q357-E361 PolarHBondContact NE2-OE1 3.39Å; Q357-E361 WeakPolarHBondContact O-CG 3.46Å; Q357-E361 PolarHBondContact O-N 3.45Å; L358-E361 WeakPolarHBondContact O-CB 3.48Å; L358-E361 PolarHBondContact O-N 2.74Å; L359-E361 VanDerWaalsContact C-N 3.34Å; L359-E361 PolarHBondContact O-N 2.75Å; E361-M363 PolarHBondContact O-N 3.35Å; E361-N364 PolarHBondContact O-N 3.17Å; E361-Q365 VanDerWaalsContact O-CG 3.27Å; E361-Q365 WeakPolarHBondContact O-CG 3.36Å; E361-Q365 PolarHBondContact O-N 3.37Å
362L98.9Very high98.2Very high13 Ų1346.1 Ų46.17%0.06823%0.23CC..Hα-helixtrans-60.4-43.7174.7-68.1172.1000111.8I46 R340 Q343 F344 L358 L359 N364 Q365 S366I46-L362 HydrophobicContact CD1-CB 3.96Å; R340-L362 HydrophobicContact CB-CD2 4.41Å; R340-L362 HydrophobicContact CG-CD2 4.08Å; Q343-L362 HydrophobicContact CB-CD1 4.06Å; Q343-L362 HydrophobicContact CB-CD2 4.15Å; F344-L362 HydrophobicContact CB-CD1 3.97Å; F344-L362 HydrophobicContact CD2-CB 4.32Å; F344-L362 HydrophobicContact CD2-CD1 4.26Å; L358-L362 WeakPolarHBondContact O-CG 3.3Å; L358-L362 PolarHBondContact O-N 2.89Å; L359-L362 PolarHBondContact O-N 2.98Å; L362-N364 PolarHBondContact O-N 3.41Å; L362-Q365 PolarHBondContact O-N 3.39Å; L362-S366 PolarHBondContact O-N 2.77Å
363M98.9Very high98.3Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-62.2-42.4175.6-69.4173.469.600111.9F222 F344 L359 G360 E361 Q365 S366 H367 R397 V408 I410F222-M363 HydrophobicContact CE1-CE 4.15Å; F222-M363 HydrophobicContact CE1-SD 4.04Å; F344-M363 HydrophobicContact CE2-CG 3.98Å; F344-M363 HydrophobicContact CE2-SD 4.25Å; L359-M363 WeakPolarHBondContact O-CG 3.18Å; L359-M363 PolarHBondContact O-N 3.28Å; G360-M363 PolarHBondContact O-N 2.93Å; E361-M363 PolarHBondContact O-N 3.35Å; M363-Q365 PolarHBondContact O-N 2.9Å; M363-S366 WeakPolarHBondContact O-CB 3.35Å; M363-S366 PolarHBondContact O-N 3.14Å; M363-H367 PolarHBondContact O-N 3.38Å; M363-R397 HydrophobicContact CB-CG 4.42Å; M363-R397 HydrophobicContact CE-CG 4.2Å; M363-V408 HydrophobicContact CE-CG1 4.15Å; M363-V408 HydrophobicContact CE-CG2 4.35Å; M363-V408 WeakPolarHBondContact CE-O 3.46Å; M363-I410 HydrophobicContact CE-CB 4.41Å; M363-I410 HydrophobicContact CE-CG2 4.34Å; M363-I410 HydrophobicContact SD-CB 3.85Å; M363-I410 HydrophobicContact SD-CG2 3.51Å; M363-I410 VanDerWaalsContact SD-CG2 3.51Å
364N98.9Very high98.5Very high24 Ų2438 Ų3813%0.12818%0.183CC..Hα-helixtrans-66.1-37.4177.8-66.9-33.4000112.1G360 E361 L362 H367 R368 K394 G395 S396G360-N364 PolarHBondContact O-N 3.09Å; G360-N364 PolarHBondContact O-ND2 2.77Å; E361-N364 PolarHBondContact O-N 3.17Å; L362-N364 PolarHBondContact O-N 3.41Å; N364-H367 PolarHBondContact O-N 2.95Å; N364-R368 PolarHBondContact O-N 2.95Å; N364-R368 VanDerWaalsContact O-N 3.11Å; N364-K394 PolarHBondContact ND2-O 2.98Å; N364-G395 WeakPolarHBondContact OD1-CA 3.22Å; N364-S396 PolarHBondContact OD1-N 2.91Å; N364-S396 PolarHBondContact OD1-O 3.33Å
365Q98.9Very high98.6Very high74 Ų7437.2 Ų37.235%0.34618%0.176SC..Hα-helixtrans-65.1-43.3173.4-71171.620.600111.4E361 L362 M363 H367 R368 S369E361-Q365 VanDerWaalsContact O-CG 3.27Å; E361-Q365 WeakPolarHBondContact O-CG 3.36Å; E361-Q365 PolarHBondContact O-N 3.37Å; L362-Q365 PolarHBondContact O-N 3.39Å; M363-Q365 PolarHBondContact O-N 2.9Å; Q365-H367 PolarHBondContact O-N 2.98Å; Q365-R368 PolarHBondContact O-N 2.83Å; Q365-S369 WeakPolarHBondContact O-CB 3.42Å; Q365-S369 PolarHBondContact O-N 2.68Å
366S98.9Very high98.7Very high0 Ų036.7 Ų36.70%017%0.172CC..Hα-helixtrans-57-48.9173.5169.10000110.9E337 L362 M363 R368 S369 C370 R397E337-S366 VanDerWaalsContact CD-OG 3.27Å; E337-S366 WeakPolarHBondContact OE1-CB 3.41Å; E337-S366 PolarHBondContact OE1-OG 3.23Å; E337-S366 WeakPolarHBondContact OE2-CA 3.17Å; E337-S366 VanDerWaalsContact OE2-CB 3.26Å; E337-S366 WeakPolarHBondContact OE2-CB 3.41Å; E337-S366 PolarHBondContact OE2-OG 2.64Å; L362-S366 PolarHBondContact O-N 2.77Å; M363-S366 WeakPolarHBondContact O-CB 3.35Å; M363-S366 PolarHBondContact O-N 3.14Å; S366-R368 PolarHBondContact O-N 3.24Å; S366-S369 WeakPolarHBondContact O-CB 3.21Å; S366-S369 PolarHBondContact O-N 3.26Å; S366-S369 VanDerWaalsContact O-N 3.12Å; S366-C370 PolarHBondContact O-N 3.12Å; S366-C370 PolarHBondContact O-SG 2.98Å; S366-C370 VanDerWaalsContact O-SG 3.34Å; S366-R397 PolarHBondContact OG-NE 3.41Å; S366-R397 PolarHBondContact OG-NH2 3.5Å
367H98.9Very high98.7Very high3 Ų336 Ų361%0.01417%0.169CC..Hα-helixtrans-58.2-47.6178.1-17351.5000113.1M363 N364 Q365 S369 C370 R371 D382 V385 R397 L398M363-H367 PolarHBondContact O-N 3.38Å; N364-H367 PolarHBondContact O-N 2.95Å; Q365-H367 PolarHBondContact O-N 2.98Å; H367-S369 VanDerWaalsContact C-N 3.29Å; H367-S369 PolarHBondContact O-N 2.84Å; H367-C370 PolarHBondContact O-N 2.76Å; H367-R371 WeakPolarHBondContact O-CB 3.18Å; H367-R371 PolarHBondContact O-N 2.86Å; H367-D382 IonicContact CE1-OD1 3.78Å; H367-D382 IonicContact NE2-OD1 3.65Å; H367-D382 PolarHBondContact NE2-OD1 3.19Å; H367-V385 VanDerWaalsContact CD2-CG1 3.5Å; H367-V385 WeakPolarHBondContact CD2-CG1 3.34Å; H367-R397 HydrophobicContact CB-CB 3.61Å; H367-L398 PolarHBondContact ND1-N 2.84Å
368R98.9Very high98.7Very high113 Ų11333.2 Ų33.243%0.42616%0.157SC..Hα-helixtrans-59.6-41.5176.3-73-169.6-63.1-90.64.4111.5N364 Q365 S366 R371 D372N364-R368 PolarHBondContact O-N 2.95Å; N364-R368 VanDerWaalsContact O-N 3.11Å; Q365-R368 PolarHBondContact O-N 2.83Å; S366-R368 PolarHBondContact O-N 3.24Å; R368-R371 PolarHBondContact O-N 2.91Å; R368-D372 VanDerWaalsContact O-CB 3.3Å; R368-D372 WeakPolarHBondContact O-CB 3.36Å; R368-D372 PolarHBondContact O-N 2.83Å
369S98.9Very high98.7Very high11 Ų1135.3 Ų35.38%0.07717%0.174CC..Iπ-helixtrans-64.2-44.4176.4-164.90000112H333 R340 Q365 S366 H367 R371 M373 Y374H333-S369 PolarHBondContact ND1-OG 2.94Å; R340-S369 VanDerWaalsContact NH2-CB 3.31Å; R340-S369 PolarHBondContact NH2-OG 3.44Å; Q365-S369 WeakPolarHBondContact O-CB 3.42Å; Q365-S369 PolarHBondContact O-N 2.68Å; S366-S369 WeakPolarHBondContact O-CB 3.21Å; S366-S369 PolarHBondContact O-N 3.26Å; S366-S369 VanDerWaalsContact O-N 3.12Å; H367-S369 VanDerWaalsContact C-N 3.29Å; H367-S369 PolarHBondContact O-N 2.84Å; S369-R371 VanDerWaalsContact C-N 3.32Å; S369-R371 PolarHBondContact O-N 3.47Å; S369-M373 CarbonylContact O-C 3.54Å; S369-M373 WeakPolarHBondContact O-CA 3.41Å; S369-M373 VanDerWaalsContact O-CB 3.31Å; S369-M373 WeakPolarHBondContact O-CB 3.4Å; S369-M373 PolarHBondContact O-N 3.35Å; S369-Y374 PolarHBondContact O-N 3.47Å
370C98.9Very high98.6Very high0 Ų038.9 Ų38.90%019%0.191CC..Iπ-helixtrans-60.3-41174.3-67.50000112.2H333 S366 H367 Y374 E375 C376 L398H333-C370 VanDerWaalsContact CE1-SG 3.59Å; S366-C370 PolarHBondContact O-N 3.12Å; S366-C370 PolarHBondContact O-SG 2.98Å; S366-C370 VanDerWaalsContact O-SG 3.34Å; H367-C370 PolarHBondContact O-N 2.76Å; C370-Y374 CarbonylContact O-C 3.53Å; C370-E375 PolarHBondContact O-N 2.84Å; C370-C376 PolarHBondContact O-N 3.01Å; C370-L398 HydrophobicContact CB-CD1 4.38Å; C370-L398 HydrophobicContact CB-CD2 3.91Å; C370-L398 HydrophobicContact CB-CG 4.28Å
371R98.8Very high98.6Very high82 Ų8238.9 Ų38.931%0.30919%0.191SC..Iπ-helixtrans-71.8-52.4-179.3-174.6-171.867.5-177.80.2112.2H367 R368 S369 E375 D382H367-R371 WeakPolarHBondContact O-CB 3.18Å; H367-R371 PolarHBondContact O-N 2.86Å; R368-R371 PolarHBondContact O-N 2.91Å; S369-R371 VanDerWaalsContact C-N 3.32Å; S369-R371 PolarHBondContact O-N 3.47Å; R371-E375 WeakPolarHBondContact O-CA 3.49Å; R371-E375 PolarHBondContact O-N 3.23Å; R371-D382 WeakPolarHBondContact CD-OD1 3.43Å; R371-D382 VanDerWaalsContact CD-OD2 3.26Å; R371-D382 WeakPolarHBondContact CD-OD2 3.43Å
372D98.8Very high98.6Very high84 Ų8436.8 Ų36.845%0.44918%0.182SC..Iπ-helixtrans-92.6-39.3-166.3-56.9-28.7000112.1R368R368-D372 VanDerWaalsContact O-CB 3.3Å; R368-D372 WeakPolarHBondContact O-CB 3.36Å; R368-D372 PolarHBondContact O-N 2.83Å
373M98.6Very high98.6Very high55 Ų5540.9 Ų40.927%0.27120%0.201SC..Iπ-helixtrans-95.8-43.1-177.1-59.1-60.1-7200111.9Y328 Q329 R330 K332 H333 S369Y328-M373 HydrophobicContact CE1-CE 4.28Å; Q329-M373 HydrophobicContact CB-CE 4.07Å; Q329-M373 VanDerWaalsContact CB-O 3.28Å; Q329-M373 WeakPolarHBondContact CB-O 3.19Å; Q329-M373 HydrophobicContact CG-CE 4.08Å; R330-M373 PolarHBondContact NH1-O 3.34Å; K332-M373 HydrophobicContact CB-CE 3.63Å; K332-M373 HydrophobicContact CG-CE 4.14Å; H333-M373 HydrophobicContact CB-CB 4.08Å; S369-M373 CarbonylContact O-C 3.54Å; S369-M373 WeakPolarHBondContact O-CA 3.41Å; S369-M373 VanDerWaalsContact O-CB 3.31Å; S369-M373 WeakPolarHBondContact O-CB 3.4Å; S369-M373 PolarHBondContact O-N 3.35Å
374Y98.8Very high98.5Very high0 Ų040.9 Ų40.90%020%0.201CC..SBendtrans-88.7-17.9179.4-139.4-111.3000113.7H49 Y52 R242 C246 R330 H333 V334 S369 C370 C376H49-Y374 HydrophobicContact CB-CD1 3.84Å; H49-Y374 HydrophobicContact CB-CE1 3.29Å; H49-Y374 HydrophobicContact CB-CE2 4.36Å; H49-Y374 AromaticContact CD2-CD1 3.61Å; H49-Y374 AromaticContact CD2-CE1 3.65Å; H49-Y374 AromaticContact CE1-CE1 3.85Å; H49-Y374 AromaticContact CG-CD1 3.61Å; H49-Y374 AromaticContact CG-CE1 3.16Å; H49-Y374 AromaticContact CG-CZ 3.95Å; H49-Y374 AromaticContact ND1-CE1 3.33Å; H49-Y374 VanDerWaalsContact ND1-CE1 3.33Å; H49-Y374 WeakPolarHBondContact ND1-CE1 3.32Å; Y52-Y374 PolarHBondContact OH-OH 2.96Å; R242-Y374 HydrophobicContact CB-CE1 3.61Å; R242-Y374 VanDerWaalsContact CD-CE1 3.47Å; R242-Y374 HydrophobicContact CG-CD1 4.16Å; R242-Y374 HydrophobicContact CG-CE1 3.56Å; R242-Y374 PolarHBondContact NE-O 2.87Å; R242-Y374 PolarHBondContact NH2-O 3.15Å; C246-Y374 PolarHBondContact SG-OH 3.4Å; R330-Y374 HydrophobicContact CB-CD2 4.46Å; R330-Y374 HydrophobicContact CB-CE2 3.95Å; R330-Y374 HydrophobicContact CG-CD2 4.47Å; R330-Y374 HydrophobicContact CG-CE2 4.11Å; H333-Y374 HydrophobicContact CB-CD2 3.58Å; H333-Y374 HydrophobicContact CB-CE2 4.33Å; H333-Y374 HydrophobicContact CB-CG 4.37Å; H333-Y374 AromaticContact CD2-CD2 3.05Å; H333-Y374 WeakPolarHBondContact CD2-CD2 3.37Å; H333-Y374 AromaticContact CD2-CE2 3.51Å; H333-Y374 AromaticContact CD2-CG 3.44Å; H333-Y374 VanDerWaalsContact CD2-CG 3.44Å; H333-Y374 AromaticContact CG-CD2 3.38Å; H333-Y374 AromaticContact CG-CG 3.82Å; H333-Y374 AromaticContact NE2-CD2 3.92Å; H333-Y374 AromaticContact NE2-CG 3.84Å; V334-Y374 HydrophobicContact CG2-CE2 4.27Å; S369-Y374 PolarHBondContact O-N 3.47Å; C370-Y374 CarbonylContact O-C 3.53Å; Y374-C376 HydrophobicContact CD1-CB 4.13Å; Y374-C376 PolarHBondContact O-N 3.5Å
375E98.7Very high98.5Very high69 Ų6939.8 Ų39.832%0.32220%0.195SC..  trans50.646.5-179.8-57.3173.2118.900111.6R242 K326 R330 C370 R371 W403R242-E375 PolarHBondContact NH2-O 3.02Å; K326-E375 WeakPolarHBondContact CD-OE2 3.41Å; K326-E375 WeakPolarHBondContact CE-OE2 3.26Å; K326-E375 IonicContact NZ-OE1 3.03Å; K326-E375 PolarHBondContact NZ-OE1 3.21Å; K326-E375 IonicContact NZ-OE2 3.82Å; K326-E375 PolarHBondContact NZ-OE2 3.36Å; R330-E375 IonicContact CZ-OE2 2.81Å; R330-E375 VanDerWaalsContact CZ-OE2 3.22Å; R330-E375 IonicContact NH1-OE2 2.77Å; R330-E375 PolarHBondContact NH1-OE2 2.82Å; R330-E375 IonicContact NH2-OE2 2.67Å; R330-E375 PolarHBondContact NH2-OE2 3.48Å; C370-E375 PolarHBondContact O-N 2.84Å; R371-E375 WeakPolarHBondContact O-CA 3.49Å; R371-E375 PolarHBondContact O-N 3.23Å; E375-W403 PolarHBondContact O-NE1 3.4Å
376C98.4Very high98.5Very high0 Ų040.2 Ų40.20%020%0.2CC..  trans-118.914.8176.272.30000114.1C370 Y374 G402 W403C370-C376 PolarHBondContact O-N 3.01Å; Y374-C376 HydrophobicContact CD1-CB 4.13Å; Y374-C376 PolarHBondContact O-N 3.5Å; C376-G402 CarbonylContact O-C 3.5Å; C376-G402 VanDerWaalsContact O-CA 3.25Å; C376-G402 WeakPolarHBondContact O-CA 3.41Å; C376-W403 HydrophobicContact CB-CD2 4.1Å; C376-W403 HydrophobicContact CB-CH2 4.04Å; C376-W403 HydrophobicContact CB-CZ2 3.57Å; C376-W403 HydrophobicContact CB-CZ3 4.48Å; C376-W403 PolarHBondContact O-N 2.96Å
377S98.4Very high98.5Very high16 Ų1641.2 Ų41.211%0.11221%0.205CC..  trans-87.4-175.6165.6-1560000111.5D382S377-D382 VanDerWaalsContact CB-OD1 3.31Å; S377-D382 WeakPolarHBondContact CB-OD1 3.36Å; S377-D382 PolarHBondContact OG-OD1 3.03Å
378C97.8Very high98.5Very high18 Ų1841 Ų4112%0.12220%0.204CC..  trans-148.7165167.474.80000109.8E380 L381 D382C378-E380 PolarHBondContact O-N 2.87Å; C378-E380 PolarHBondContact SG-OE2 2.91Å; C378-L381 WeakPolarHBondContact O-CB 3.34Å; C378-L381 PolarHBondContact O-N 3.31Å; C378-L381 VanDerWaalsContact O-N 3.09Å; C378-L381 PolarHBondContact SG-N 3.22Å; C378-D382 PolarHBondContact O-N 2.91Å
379P97.9Very high98.4Very high98 Ų9839.9 Ų39.964%0.63620%0.2SC*.Hα-helixtrans-54.4-39.3-178.2-27.436.2000113.7D382 Q383P379-D382 PolarHBondContact O-N 2.97Å; P379-Q383 WeakPolarHBondContact O-CB 3.17Å; P379-Q383 PolarHBondContact O-N 3.26Å
380E96.9Very high98.4Very high74 Ų7447.3 Ų47.335%0.34623%0.231SC..Hα-helixtrans-68.9-37.2-179.7-61.885.5174.900112.3V229 C378 L384 Y427V229-E380 HydrophobicContact CG2-CB 3.73Å; V229-E380 HydrophobicContact CG2-CG 3.53Å; C378-E380 PolarHBondContact O-N 2.87Å; C378-E380 PolarHBondContact SG-OE2 2.91Å; E380-L384 VanDerWaalsContact O-CB 3.25Å; E380-L384 WeakPolarHBondContact O-CB 3.24Å; E380-L384 PolarHBondContact O-N 2.92Å; E380-Y427 WeakPolarHBondContact CB-OH 3.47Å; E380-Y427 PolarHBondContact O-OH 2.99Å
381L98.3Very high98.4Very high0 Ų049.5 Ų49.50%024%0.241CC..Hα-helixtrans-67-46.5172.7-77.8171.9000110.6C378 Q383 L384 V385 L398 T407C378-L381 WeakPolarHBondContact O-CB 3.34Å; C378-L381 PolarHBondContact O-N 3.31Å; C378-L381 VanDerWaalsContact O-N 3.09Å; C378-L381 PolarHBondContact SG-N 3.22Å; L381-Q383 PolarHBondContact O-N 3.37Å; L381-L384 PolarHBondContact O-N 2.9Å; L381-V385 WeakPolarHBondContact O-CB 3.15Å; L381-V385 VanDerWaalsContact O-CG2 3.3Å; L381-V385 WeakPolarHBondContact O-CG2 3.36Å; L381-V385 PolarHBondContact O-N 3.27Å; L381-L398 HydrophobicContact CD1-CB 3.89Å; L381-L398 HydrophobicContact CD1-CD2 4.12Å; L381-L398 HydrophobicContact CD2-CB 4.11Å; L381-T407 HydrophobicContact CD2-CG2 3.65Å
382D98.7Very high98.3Very high38 Ų3846.8 Ų46.820%0.20324%0.238CC..Hα-helixtrans-61.5-45.6-178.9-66.7-16.7000110.8H367 R371 S377 C378 P379 V385 D386H367-D382 IonicContact CE1-OD1 3.78Å; H367-D382 IonicContact NE2-OD1 3.65Å; H367-D382 PolarHBondContact NE2-OD1 3.19Å; R371-D382 WeakPolarHBondContact CD-OD1 3.43Å; R371-D382 VanDerWaalsContact CD-OD2 3.26Å; R371-D382 WeakPolarHBondContact CD-OD2 3.43Å; S377-D382 VanDerWaalsContact CB-OD1 3.31Å; S377-D382 WeakPolarHBondContact CB-OD1 3.36Å; S377-D382 PolarHBondContact OG-OD1 3.03Å; C378-D382 PolarHBondContact O-N 2.91Å; P379-D382 PolarHBondContact O-N 2.97Å; D382-V385 PolarHBondContact O-N 3.24Å; D382-D386 PolarHBondContact O-N 3.32Å
383Q98.3Very high98.3Very high100 Ų10043.2 Ų43.247%0.46722%0.22SC..Hα-helixtrans-60.4-45.8174.8-176.1-173.412.300111.8P379 L381 V385 D386 I387 Y427P379-Q383 WeakPolarHBondContact O-CB 3.17Å; P379-Q383 PolarHBondContact O-N 3.26Å; L381-Q383 PolarHBondContact O-N 3.37Å; Q383-V385 VanDerWaalsContact C-N 3.34Å; Q383-D386 PolarHBondContact O-N 2.88Å; Q383-I387 HydrophobicContact CG-CD1 3.96Å; Q383-I387 WeakPolarHBondContact O-CB 3.38Å; Q383-I387 WeakPolarHBondContact O-CG1 3.48Å; Q383-I387 PolarHBondContact O-N 3.09Å; Q383-Y427 HydrophobicContact CG-CE2 4.5Å
384L97.9Very high98.3Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-64.7-40.6179.8-177.454.1000111.2A225 E380 L381 I387 C388 T407 V423 Y427A225-L384 HydrophobicContact CB-CD1 4.1Å; A225-L384 HydrophobicContact CB-CD2 3.85Å; A225-L384 HydrophobicContact CB-CG 4.21Å; A225-L384 WeakPolarHBondContact O-CD2 3.31Å; E380-L384 VanDerWaalsContact O-CB 3.25Å; E380-L384 WeakPolarHBondContact O-CB 3.24Å; E380-L384 PolarHBondContact O-N 2.92Å; L381-L384 PolarHBondContact O-N 2.9Å; L384-I387 PolarHBondContact O-N 3.5Å; L384-C388 WeakPolarHBondContact O-CB 3.48Å; L384-C388 PolarHBondContact O-N 3.31Å; L384-C388 PolarHBondContact O-SG 3.27Å; L384-T407 HydrophobicContact CB-CG2 4.35Å; L384-T407 HydrophobicContact CD2-CG2 3.98Å; L384-T407 HydrophobicContact CG-CG2 4.1Å; L384-V423 HydrophobicContact CD1-CG1 4.17Å; L384-Y427 HydrophobicContact CB-CD2 4.21Å; L384-Y427 HydrophobicContact CB-CE2 3.81Å; L384-Y427 HydrophobicContact CD1-CD1 3.94Å; L384-Y427 HydrophobicContact CD1-CD2 3.96Å; L384-Y427 HydrophobicContact CD1-CE1 4.28Å; L384-Y427 HydrophobicContact CD1-CE2 4.29Å; L384-Y427 HydrophobicContact CD1-CG 3.75Å; L384-Y427 HydrophobicContact CD2-CE1 4.14Å; L384-Y427 HydrophobicContact CG-CE2 4.5Å
385V98.8Very high98.3Very high0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-63.8-40.4175.31680000111.8H367 L381 D382 Q383 R389 S396 T407H367-V385 VanDerWaalsContact CD2-CG1 3.5Å; H367-V385 WeakPolarHBondContact CD2-CG1 3.34Å; L381-V385 WeakPolarHBondContact O-CB 3.15Å; L381-V385 VanDerWaalsContact O-CG2 3.3Å; L381-V385 WeakPolarHBondContact O-CG2 3.36Å; L381-V385 PolarHBondContact O-N 3.27Å; D382-V385 PolarHBondContact O-N 3.24Å; Q383-V385 VanDerWaalsContact C-N 3.34Å; V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 3.2Å; V385-R389 VanDerWaalsContact O-N 3.09Å; V385-R389 PolarHBondContact O-NE 2.8Å; V385-S396 VanDerWaalsContact CG1-O 3.28Å; V385-S396 WeakPolarHBondContact CG1-O 3.36Å; V385-T407 HydrophobicContact CG2-CG2 3.61Å
386D98.8Very high98.3Very high84 Ų8441.4 Ų41.445%0.44921%0.21SC..Hα-helixtrans-62.4-44.3173.5-78.4-27.2000111.7D382 Q383 R389 K390D382-D386 PolarHBondContact O-N 3.32Å; Q383-D386 PolarHBondContact O-N 2.88Å; D386-R389 PolarHBondContact O-N 3.19Å; D386-R389 IonicContact OD1-CZ 3.32Å; D386-R389 VanDerWaalsContact OD1-CZ 3.32Å; D386-R389 IonicContact OD1-NH1 3.83Å; D386-R389 IonicContact OD1-NH2 2.59Å; D386-R389 PolarHBondContact OD1-NH2 3.41Å; D386-K390 WeakPolarHBondContact O-CB 3.28Å; D386-K390 PolarHBondContact O-N 3.15Å
387I98.5Very high98.3Very high20 Ų2041.4 Ų41.410%0.10321%0.21CC..Hα-helixtrans-61.1-48.6177-79.1167.9000111.1Q383 L384 R389 K390 F391 V423 A426 Y427Q383-I387 HydrophobicContact CG-CD1 3.96Å; Q383-I387 WeakPolarHBondContact O-CB 3.38Å; Q383-I387 WeakPolarHBondContact O-CG1 3.48Å; Q383-I387 PolarHBondContact O-N 3.09Å; L384-I387 PolarHBondContact O-N 3.5Å; I387-R389 VanDerWaalsContact C-N 3.34Å; I387-R389 PolarHBondContact O-N 2.93Å; I387-K390 WeakPolarHBondContact O-CB 3.45Å; I387-K390 PolarHBondContact O-N 2.97Å; I387-F391 HydrophobicContact CG2-CD2 3.82Å; I387-F391 HydrophobicContact CG2-CE2 3.86Å; I387-F391 WeakPolarHBondContact O-CD2 3.39Å; I387-F391 PolarHBondContact O-N 3.29Å; I387-F391 VanDerWaalsContact O-N 3.1Å; I387-V423 HydrophobicContact CG2-CB 4.35Å; I387-V423 HydrophobicContact CG2-CG1 4.18Å; I387-V423 HydrophobicContact CG2-CG2 4.06Å; I387-A426 HydrophobicContact CD1-CB 4.31Å; I387-A426 HydrophobicContact CG1-CB 4.49Å; I387-A426 HydrophobicContact CG2-CB 4.08Å; I387-Y427 HydrophobicContact CD1-CD2 3.81Å; I387-Y427 HydrophobicContact CD1-CG 4.46Å
388C98.6Very high98.4Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-58.5-46.1177.9-70.50000111.4L384 K390 F391 G392 A393 S409 F419L384-C388 WeakPolarHBondContact O-CB 3.48Å; L384-C388 PolarHBondContact O-N 3.31Å; L384-C388 PolarHBondContact O-SG 3.27Å; C388-K390 PolarHBondContact O-N 2.69Å; C388-F391 PolarHBondContact O-N 2.78Å; C388-G392 PolarHBondContact O-N 2.81Å; C388-A393 HydrophobicContact CB-CB 4.21Å; C388-A393 VanDerWaalsContact O-CB 3.27Å; C388-A393 WeakPolarHBondContact O-CB 3.17Å; C388-A393 PolarHBondContact O-N 3.39Å; C388-S409 WeakPolarHBondContact CB-OG 3.22Å; C388-F419 HydrophobicContact CB-CE2 3.85Å; C388-F419 HydrophobicContact CB-CZ 3.91Å; C388-F419 WeakPolarHBondContact O-CE2 3.17Å
389R98.6Very high98.4Very high88 Ų8839.8 Ų39.833%0.33220%0.199SC..Hα-helixtrans-62.1-43.7176.6-74.8-176.7-76149.1-11.3112.1V385 D386 I387 F391 G392V385-R389 WeakPolarHBondContact O-CG 3.49Å; V385-R389 PolarHBondContact O-N 3.2Å; V385-R389 VanDerWaalsContact O-N 3.09Å; V385-R389 PolarHBondContact O-NE 2.8Å; D386-R389 PolarHBondContact O-N 3.19Å; D386-R389 IonicContact OD1-CZ 3.32Å; D386-R389 VanDerWaalsContact OD1-CZ 3.32Å; D386-R389 IonicContact OD1-NH1 3.83Å; D386-R389 IonicContact OD1-NH2 2.59Å; D386-R389 PolarHBondContact OD1-NH2 3.41Å; I387-R389 VanDerWaalsContact C-N 3.34Å; I387-R389 PolarHBondContact O-N 2.93Å; R389-F391 PolarHBondContact O-N 3.19Å; R389-G392 PolarHBondContact O-N 2.75Å
390K98.6Very high98.3Very high167 Ų16735.1 Ų35.173%0.72617%0.168SC*.Hα-helixtrans-57.2-35.3177.9-178.5-178.9177.9-178.20112.6D386 I387 C388D386-K390 WeakPolarHBondContact O-CB 3.28Å; D386-K390 PolarHBondContact O-N 3.15Å; I387-K390 WeakPolarHBondContact O-CB 3.45Å; I387-K390 PolarHBondContact O-N 2.97Å; C388-K390 PolarHBondContact O-N 2.69Å
391F98.3Very high98.3Very high47 Ų4732 Ų3221%0.20616%0.155CC..THydrogen-bonded Turntrans-100.315.5-175.7-62.4-57000115I387 C388 R389 F419 N422 V423 A426I387-F391 HydrophobicContact CG2-CD2 3.82Å; I387-F391 HydrophobicContact CG2-CE2 3.86Å; I387-F391 WeakPolarHBondContact O-CD2 3.39Å; I387-F391 PolarHBondContact O-N 3.29Å; I387-F391 VanDerWaalsContact O-N 3.1Å; C388-F391 PolarHBondContact O-N 2.78Å; R389-F391 PolarHBondContact O-N 3.19Å; F391-F419 HydrophobicContact CB-CD2 4.3Å; F391-N422 HydrophobicContact CB-CB 4.06Å; F391-N422 HydrophobicContact CD1-CB 3.45Å; F391-N422 VanDerWaalsContact CD1-CB 3.45Å; F391-N422 HydrophobicContact CD2-CB 3.87Å; F391-N422 HydrophobicContact CE1-CB 3.74Å; F391-N422 HydrophobicContact CE2-CB 4.14Å; F391-N422 HydrophobicContact CG-CB 3.52Å; F391-N422 HydrophobicContact CZ-CB 4.07Å; F391-V423 HydrophobicContact CB-CG2 4.26Å; F391-V423 HydrophobicContact CD2-CG2 4.04Å; F391-A426 HydrophobicContact CE2-CB 3.49Å; F391-A426 VanDerWaalsContact CE2-CB 3.49Å; F391-A426 HydrophobicContact CZ-CB 3.99Å
392G97.5Very high98.2Very high24 Ų2432.2 Ų32.225%0.24716%0.157CC..THydrogen-bonded Turntrans120.3-2.2165.400000116C388 R389 K394 P412C388-G392 PolarHBondContact O-N 2.81Å; R389-G392 PolarHBondContact O-N 2.75Å; G392-K394 PolarHBondContact O-N 2.7Å; G392-P412 WeakPolarHBondContact O-CD 3.37Å
393A98.5Very high98.1Very high9 Ų931.7 Ų31.77%0.07415%0.152CC..  trans-63.8128.9171.900000110.7C388 I410 V411 F419C388-A393 HydrophobicContact CB-CB 4.21Å; C388-A393 VanDerWaalsContact O-CB 3.27Å; C388-A393 WeakPolarHBondContact O-CB 3.17Å; C388-A393 PolarHBondContact O-N 3.39Å; A393-I410 CarbonylContact C-O 3.58Å; A393-I410 WeakPolarHBondContact CA-O 3.33Å; A393-V411 HydrophobicContact CB-CG2 4.18Å; A393-F419 HydrophobicContact CB-CE2 3.88Å
394K98.4Very high98Very high87 Ų8727 Ų2738%0.37813%0.131SC..SBendtrans-75.4-31.2174.5-61.4-60.4-175.4173.50111.6V356 G360 N364 G392 I410 P412V356-K394 HydrophobicContact CG1-CB 4.25Å; V356-K394 HydrophobicContact CG1-CG 3.94Å; G360-K394 CarbonylContact C-O 3.38Å; G360-K394 WeakPolarHBondContact CA-O 3.41Å; N364-K394 PolarHBondContact ND2-O 2.98Å; G392-K394 PolarHBondContact O-N 2.7Å; K394-I410 HydrophobicContact CB-CG2 4.2Å; K394-I410 PolarHBondContact N-O 3Å; K394-P412 HydrophobicContact CD-CG 4.32Å; K394-P412 HydrophobicContact CG-CG 3.75Å
395G98.7Very high97.9Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-143143.4170.200000110.6G360 N364 S409 I410G360-G395 VanDerWaalsContact O-CA 3.31Å; G360-G395 WeakPolarHBondContact O-CA 3.35Å; N364-G395 WeakPolarHBondContact OD1-CA 3.22Å; G395-S409 CarbonylContact O-C 3.54Å; G395-S409 VanDerWaalsContact O-CA 3.26Å; G395-S409 WeakPolarHBondContact O-CA 3.19Å; G395-I410 VanDerWaalsContact N-CG2 3.27Å; G395-I410 PolarHBondContact O-N 3.38Å
396S98.8Very high97.8Very high0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-146.6136.2174.8177.90000109.9N364 V385 V408 S409N364-S396 PolarHBondContact OD1-N 2.91Å; N364-S396 PolarHBondContact OD1-O 3.33Å; V385-S396 VanDerWaalsContact CG1-O 3.28Å; V385-S396 WeakPolarHBondContact CG1-O 3.36Å; S396-V408 WeakPolarHBondContact CA-O 3.5Å; S396-S409 WeakPolarHBondContact CB-OG 3.36Å; S396-S409 PolarHBondContact OG-OG 3.47Å; S396-S409 VanDerWaalsContact OG-OG 3.1Å
397R98.9Very high97.8Very high0 Ų023 Ų230%011%0.109CC..EExtended strand (participates in β ladder)trans-149.8160-179.362.3176.5-63-76.5-15.9111.3N44 I45 E48 M363 S366 H367 T407 V408N44-R397 PolarHBondContact O-NH1 3.16Å; N44-R397 VanDerWaalsContact O-NH1 3.09Å; I45-R397 WeakPolarHBondContact O-CD 3.31Å; E48-R397 VanDerWaalsContact CB-NH2 3.31Å; E48-R397 IonicContact OE2-CZ 3.44Å; E48-R397 VanDerWaalsContact OE2-CZ 3.29Å; E48-R397 IonicContact OE2-NH1 2.61Å; E48-R397 PolarHBondContact OE2-NH1 3.16Å; E48-R397 IonicContact OE2-NH2 3.55Å; E48-R397 PolarHBondContact OE2-NH2 3.3Å; M363-R397 HydrophobicContact CB-CG 4.42Å; M363-R397 HydrophobicContact CE-CG 4.2Å; S366-R397 PolarHBondContact OG-NE 3.41Å; S366-R397 PolarHBondContact OG-NH2 3.5Å; H367-R397 HydrophobicContact CB-CB 3.61Å; R397-T407 CarbonylContact O-C 3.51Å; R397-T407 WeakPolarHBondContact O-CA 3.35Å; R397-T407 VanDerWaalsContact O-CB 3.24Å; R397-T407 WeakPolarHBondContact O-CB 3.41Å; R397-V408 HydrophobicContact CG-CG1 3.67Å; R397-V408 PolarHBondContact N-O 2.97Å; R397-V408 PolarHBondContact O-N 3.5Å
398L98.6Very high97.8Very high0 Ų022.1 Ų22.10%011%0.105CC..EExtended strand (participates in β ladder)trans-59.1155.7163.565.482.5000110.6E48 H367 C370 L381 C406E48-L398 HydrophobicContact CG-CD1 4.06Å; H367-L398 PolarHBondContact ND1-N 2.84Å; C370-L398 HydrophobicContact CB-CD1 4.38Å; C370-L398 HydrophobicContact CB-CD2 3.91Å; C370-L398 HydrophobicContact CB-CG 4.28Å; L381-L398 HydrophobicContact CD1-CB 3.89Å; L381-L398 HydrophobicContact CD1-CD2 4.12Å; L381-L398 HydrophobicContact CD2-CB 4.11Å; L398-C406 CarbonylContact C-O 3.58Å; L398-C406 WeakPolarHBondContact CA-O 3.39Å
399T98.4Very high97.8Very high0 Ų022.1 Ų22.10%011%0.105CC..  trans-130.2143.6172.5175.50000111.2V43 N44 L143 C406 V408V43-T399 HydrophobicContact CG2-CG2 4.14Å; N44-T399 PolarHBondContact N-OG1 2.9Å; N44-T399 PolarHBondContact O-OG1 3.44Å; L143-T399 HydrophobicContact CD2-CG2 4.16Å; T399-C406 HydrophobicContact CG2-CB 3.74Å; T399-C406 WeakPolarHBondContact CG2-O 3.46Å; T399-C406 PolarHBondContact N-O 3.33Å; T399-V408 HydrophobicContact CG2-CB 4.45Å
400G96.4Very high97.8Very high0 Ų018 Ų180%09%0.089CC..THydrogen-bonded Turntrans75.4-158.6-173.400000111.4E48 G402E48-G400 VanDerWaalsContact CD-N 3.27Å; E48-G400 WeakPolarHBondContact CG-O 3.36Å; E48-G400 VanDerWaalsContact OE1-C 3.31Å; E48-G400 WeakPolarHBondContact OE1-CA 3.35Å; E48-G400 PolarHBondContact OE1-N 2.89Å; E48-G400 VanDerWaalsContact OE1-N 3.14Å; E48-G400 VanDerWaalsContact OE1-O 3.13Å; E48-G400 PolarHBondContact OE2-N 3.4Å; E48-G400 VanDerWaalsContact OE2-N 3.1Å; G400-G402 PolarHBondContact O-N 2.76Å
401A95.8Very high97.8Very high9 Ų910 Ų107%0.0746%0.055CC..THydrogen-bonded Turntrans-60.2-20-171.200000115.8H49 K233 F239 W403H49-A401 PolarHBondContact NE2-O 2.87Å; K233-A401 HydrophobicContact CD-CB 4.39Å; K233-A401 HydrophobicContact CG-CB 3.92Å; F239-A401 HydrophobicContact CD2-CB 3.92Å; F239-A401 HydrophobicContact CE2-CB 4.24Å; A401-W403 HydrophobicContact CB-CE3 4.41Å; A401-W403 HydrophobicContact CB-CZ3 4.15Å; A401-W403 WeakPolarHBondContact O-CZ3 3.5Å
402G97Very high97.7Very high3 Ų38.5 Ų8.53%0.0315%0.05CC..  trans72.7-152-174.500000113.8C376 G400 G404C376-G402 CarbonylContact O-C 3.5Å; C376-G402 VanDerWaalsContact O-CA 3.25Å; C376-G402 WeakPolarHBondContact O-CA 3.41Å; G400-G402 PolarHBondContact O-N 2.76Å; G402-G404 CarbonylContact C-O 3.58Å; G402-G404 PolarHBondContact O-N 2.93Å
403W97.8Very high97.6Very high28 Ų2811 Ų1111%0.1066%0.06CC..SBendtrans52.230.3-165.2-52.1-78.4000113.3H49 M231 H238 F239 R242 E375 C376 A401H49-W403 AromaticContact CE1-CH2 3.77Å; H49-W403 AromaticContact CE1-CZ3 3.96Å; M231-W403 HydrophobicContact CE-CB 3.58Å; M231-W403 WeakPolarHBondContact CE-O 3.43Å; M231-W403 HydrophobicContact CG-CB 4.1Å; M231-W403 HydrophobicContact SD-CB 4.47Å; H238-W403 HydrophobicContact CB-CD2 4Å; H238-W403 HydrophobicContact CB-CE3 4.2Å; H238-W403 HydrophobicContact CB-CH2 4.08Å; H238-W403 HydrophobicContact CB-CZ2 3.86Å; H238-W403 HydrophobicContact CB-CZ3 4.23Å; F239-W403 HydrophobicContact CB-CZ3 4.2Å; F239-W403 HydrophobicContact CD2-CZ3 4.26Å; R242-W403 HydrophobicContact CG-CH2 3.92Å; R242-W403 HydrophobicContact CG-CZ2 3.87Å; E375-W403 PolarHBondContact O-NE1 3.4Å; C376-W403 HydrophobicContact CB-CD2 4.1Å; C376-W403 HydrophobicContact CB-CH2 4.04Å; C376-W403 HydrophobicContact CB-CZ2 3.57Å; C376-W403 HydrophobicContact CB-CZ3 4.48Å; C376-W403 PolarHBondContact O-N 2.96Å; A401-W403 HydrophobicContact CB-CE3 4.41Å; A401-W403 HydrophobicContact CB-CZ3 4.15Å; A401-W403 WeakPolarHBondContact O-CZ3 3.5Å
404G95.4Very high97.5Very high2 Ų217.2 Ų17.22%0.0219%0.092CC..SBendtrans130.8-172.9-168.300000111.4V229 G402V229-G404 CarbonylContact O-C 3.54Å; V229-G404 WeakPolarHBondContact O-CA 3.39Å; G402-G404 CarbonylContact C-O 3.58Å; G402-G404 PolarHBondContact O-N 2.93Å
405G95.2Very high97.4Very high0 Ų014.9 Ų14.90%09%0.085CC..SBendtrans78.4-143.3179.500000114S141 N226 S227 V229S141-G405 VanDerWaalsContact C-CA 3.47Å; S141-G405 CarbonylContact O-C 3.56Å; S141-G405 WeakPolarHBondContact O-CA 3.19Å; N226-G405 PolarHBondContact OD1-O 2.72Å; S227-G405 VanDerWaalsContact CB-O 3.23Å; S227-G405 WeakPolarHBondContact CB-O 3.39Å; S227-G405 PolarHBondContact N-O 2.87Å; S227-G405 PolarHBondContact OG-N 3.01Å; S227-G405 PolarHBondContact OG-O 3.34Å; V229-G405 PolarHBondContact O-N 3.19Å
406C97.1Very high97.3Very high0 Ų016.3 Ų16.30%09%0.093CC..EExtended strand (participates in β ladder)trans-95.4157.9-166.2-69.50000113.8S141 L143 I224 A225 N226 L398 T399S141-C406 VanDerWaalsContact O-CB 3.31Å; S141-C406 WeakPolarHBondContact O-CB 3.41Å; S141-C406 PolarHBondContact O-N 3.36Å; S141-C406 PolarHBondContact O-SG 3.08Å; L143-C406 HydrophobicContact CD2-CB 4.02Å; L143-C406 HydrophobicContact CG-CB 4.18Å; I224-C406 HydrophobicContact CG2-CB 3.85Å; A225-C406 CarbonylContact O-C 3.54Å; A225-C406 WeakPolarHBondContact O-CA 3.47Å; N226-C406 VanDerWaalsContact CB-SG 3.59Å; L398-C406 CarbonylContact C-O 3.58Å; L398-C406 WeakPolarHBondContact CA-O 3.39Å; T399-C406 HydrophobicContact CG2-CB 3.74Å; T399-C406 WeakPolarHBondContact CG2-O 3.46Å; T399-C406 PolarHBondContact N-O 3.33Å
407T98.6Very high97.2Very high0 Ų020.9 Ų20.90%012%0.124CC..EExtended strand (participates in β ladder)trans-108.6156.3162.564.60000109.8I224 A225 L381 L384 V385 R397I224-T407 WeakPolarHBondContact CA-O 3.13Å; A225-T407 WeakPolarHBondContact CB-OG1 3.46Å; A225-T407 PolarHBondContact N-O 2.94Å; A225-T407 VanDerWaalsContact N-O 3.07Å; A225-T407 PolarHBondContact O-N 3.35Å; A225-T407 PolarHBondContact O-OG1 3.36Å; L381-T407 HydrophobicContact CD2-CG2 3.65Å; L384-T407 HydrophobicContact CB-CG2 4.35Å; L384-T407 HydrophobicContact CD2-CG2 3.98Å; L384-T407 HydrophobicContact CG-CG2 4.1Å; V385-T407 HydrophobicContact CG2-CG2 3.61Å; R397-T407 CarbonylContact O-C 3.51Å; R397-T407 WeakPolarHBondContact O-CA 3.35Å; R397-T407 VanDerWaalsContact O-CB 3.24Å; R397-T407 WeakPolarHBondContact O-CB 3.41Å
408V98.6Very high97.2Very high0 Ų023.5 Ų23.50%014%0.143CC..EExtended strand (participates in β ladder)trans-122.5128.2169.9580000108.8V43 F222 V223 I224 M363 S396 R397 T399V43-V408 HydrophobicContact CG2-CB 3.62Å; V43-V408 HydrophobicContact CG2-CG1 4.08Å; V43-V408 HydrophobicContact CG2-CG2 3.64Å; F222-V408 HydrophobicContact CB-CG2 4.41Å; F222-V408 HydrophobicContact CD1-CG2 3.7Å; F222-V408 HydrophobicContact CG-CG2 4.49Å; V223-V408 WeakPolarHBondContact O-CA 3.47Å; I224-V408 HydrophobicContact CD1-CB 4.07Å; I224-V408 HydrophobicContact CD1-CG2 4.07Å; M363-V408 HydrophobicContact CE-CG1 4.15Å; M363-V408 HydrophobicContact CE-CG2 4.35Å; M363-V408 WeakPolarHBondContact CE-O 3.46Å; S396-V408 WeakPolarHBondContact CA-O 3.5Å; R397-V408 HydrophobicContact CG-CG1 3.67Å; R397-V408 PolarHBondContact N-O 2.97Å; R397-V408 PolarHBondContact O-N 3.5Å; T399-V408 HydrophobicContact CG2-CB 4.45Å
409S98.8Very high97.2Very high1 Ų123.5 Ų23.51%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-120.1135.8-179.2-65.70000111F222 V223 C388 G395 S396F222-S409 CarbonylContact C-O 3.58Å; F222-S409 VanDerWaalsContact CA-O 3.28Å; F222-S409 WeakPolarHBondContact CA-O 3.44Å; V223-S409 PolarHBondContact N-O 3.07Å; V223-S409 PolarHBondContact O-N 2.89Å; C388-S409 WeakPolarHBondContact CB-OG 3.22Å; G395-S409 CarbonylContact O-C 3.54Å; G395-S409 VanDerWaalsContact O-CA 3.26Å; G395-S409 WeakPolarHBondContact O-CA 3.19Å; S396-S409 WeakPolarHBondContact CB-OG 3.36Å; S396-S409 PolarHBondContact OG-OG 3.47Å; S396-S409 VanDerWaalsContact OG-OG 3.1Å
410I98.3Very high97Very high0 Ų025.9 Ų25.90%016%0.155CC..EExtended strand (participates in β ladder)trans-91.7114.7166.8-173.9171.8000108.8P217 A220 F222 V356 L359 M363 A393 K394 G395P217-I410 HydrophobicContact CG-CD1 4.18Å; A220-I410 HydrophobicContact CB-CD1 4.04Å; A220-I410 HydrophobicContact CB-CG1 3.6Å; F222-I410 HydrophobicContact CD1-CB 4.36Å; F222-I410 HydrophobicContact CE1-CB 3.94Å; F222-I410 HydrophobicContact CE1-CD1 4.48Å; F222-I410 HydrophobicContact CE1-CG1 4.34Å; F222-I410 HydrophobicContact CZ-CB 4.36Å; F222-I410 HydrophobicContact CZ-CD1 4.06Å; F222-I410 HydrophobicContact CZ-CG1 4.27Å; V356-I410 HydrophobicContact CG1-CD1 3.99Å; V356-I410 HydrophobicContact CG1-CG1 4.18Å; L359-I410 HydrophobicContact CB-CD1 4.25Å; L359-I410 HydrophobicContact CD1-CD1 4.44Å; M363-I410 HydrophobicContact CE-CB 4.41Å; M363-I410 HydrophobicContact CE-CG2 4.34Å; M363-I410 HydrophobicContact SD-CB 3.85Å; M363-I410 HydrophobicContact SD-CG2 3.51Å; M363-I410 VanDerWaalsContact SD-CG2 3.51Å; A393-I410 CarbonylContact C-O 3.58Å; A393-I410 WeakPolarHBondContact CA-O 3.33Å; K394-I410 HydrophobicContact CB-CG2 4.2Å; K394-I410 PolarHBondContact N-O 3Å; G395-I410 VanDerWaalsContact N-CG2 3.27Å; G395-I410 PolarHBondContact O-N 3.38Å
411V98.3Very high97Very high0 Ų029.5 Ų29.50%018%0.177CC..EExtended strand (participates in β ladder)trans-121.7123.4-171-174.80000109.1A220 V221 V223 A393 V415 L416 F419A220-V411 CarbonylContact C-O 3.48Å; A220-V411 VanDerWaalsContact CA-O 3.29Å; A220-V411 WeakPolarHBondContact CA-O 3.07Å; V221-V411 PolarHBondContact N-O 3.46Å; V221-V411 PolarHBondContact O-N 2.84Å; V223-V411 HydrophobicContact CB-CG2 4.27Å; V223-V411 HydrophobicContact CG2-CB 4.21Å; V223-V411 HydrophobicContact CG2-CG2 3.81Å; A393-V411 HydrophobicContact CB-CG2 4.18Å; V411-V415 HydrophobicContact CG1-CG2 3.83Å; V411-L416 HydrophobicContact CG1-CD1 4.4Å; V411-F419 HydrophobicContact CG1-CB 3.92Å; V411-F419 HydrophobicContact CG1-CD1 4.34Å; V411-F419 HydrophobicContact CG1-CD2 4.07Å; V411-F419 HydrophobicContact CG1-CG 3.85Å; V411-F419 HydrophobicContact CG2-CD1 4.07Å; V411-F419 HydrophobicContact CG2-CD2 3.93Å; V411-F419 HydrophobicContact CG2-CE1 3.96Å; V411-F419 HydrophobicContact CG2-CE2 3.78Å; V411-F419 HydrophobicContact CG2-CG 4.07Å; V411-F419 HydrophobicContact CG2-CZ 3.8Å
412P97.1Very high97Very high16 Ų1631.7 Ų31.710%0.10419%0.188CC..EExtended strand (participates in β ladder)trans-57.3140.9173.6-24.435.3000111.7G392 K394 D414 V415 L416G392-P412 WeakPolarHBondContact O-CD 3.37Å; K394-P412 HydrophobicContact CD-CG 4.32Å; K394-P412 HydrophobicContact CG-CG 3.75Å; P412-D414 WeakPolarHBondContact CB-OD1 3.38Å; P412-D414 PolarHBondContact O-N 2.8Å; P412-V415 HydrophobicContact CB-CG2 4.1Å; P412-V415 HydrophobicContact CG-CG2 4.29Å; P412-V415 WeakPolarHBondContact O-CG2 3.44Å; P412-V415 PolarHBondContact O-N 3.37Å; P412-L416 PolarHBondContact O-N 2.57Å
413T95.3Very high97Very high76 Ų7631.5 Ų31.547%0.46619%0.186SC..G310 helixtrans-61-33.1-171.8-52.70000113.1G219 V415 L416G219-T413 PolarHBondContact O-N 3.48Å; G219-T413 PolarHBondContact O-OG1 3.46Å; T413-V415 VanDerWaalsContact C-N 3.31Å; T413-V415 PolarHBondContact O-N 2.95Å; T413-L416 WeakPolarHBondContact O-CB 3.05Å; T413-L416 PolarHBondContact O-N 3.3Å
414D96.3Very high96.7Very high139 Ų13932.1 Ų32.174%0.74319%0.19SC*.G310 helixtrans-68.3-25.5-179.362.7-38.7000113.7P412P412-D414 WeakPolarHBondContact CB-OD1 3.38Å; P412-D414 PolarHBondContact O-N 2.8Å
415V96.9Very high96.6Very high39 Ų3936.4 Ų36.424%0.23621%0.21CC..G310 helixtrans-104.4-0.5179-56.50000113.6V411 P412 T413 S417 S418 F419V411-V415 HydrophobicContact CG1-CG2 3.83Å; P412-V415 HydrophobicContact CB-CG2 4.1Å; P412-V415 HydrophobicContact CG-CG2 4.29Å; P412-V415 WeakPolarHBondContact O-CG2 3.44Å; P412-V415 PolarHBondContact O-N 3.37Å; T413-V415 VanDerWaalsContact C-N 3.31Å; T413-V415 PolarHBondContact O-N 2.95Å; V415-S417 PolarHBondContact O-N 3.35Å; V415-S418 PolarHBondContact O-N 2.79Å; V415-S418 PolarHBondContact O-OG 2.92Å; V415-F419 VanDerWaalsContact O-CB 3.27Å; V415-F419 WeakPolarHBondContact O-CB 3.31Å; V415-F419 PolarHBondContact O-N 2.62Å
416L96.8Very high96.6Very high30 Ų3037.4 Ų37.416%0.15722%0.218CC..Hα-helixtrans-56.5-46.2-173.8178.361.7000112.8V221 V223 V411 P412 T413 F419 L420V221-L416 HydrophobicContact CB-CD2 4.33Å; V221-L416 HydrophobicContact CG1-CD2 4.4Å; V221-L416 HydrophobicContact CG2-CD2 4.17Å; V223-L416 HydrophobicContact CG2-CD1 3.56Å; V411-L416 HydrophobicContact CG1-CD1 4.4Å; P412-L416 PolarHBondContact O-N 2.57Å; T413-L416 WeakPolarHBondContact O-CB 3.05Å; T413-L416 PolarHBondContact O-N 3.3Å; L416-F419 WeakPolarHBondContact O-CB 3.4Å; L416-F419 PolarHBondContact O-N 3.28Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CD1-CG 4.14Å; L416-L420 HydrophobicContact CG-CD1 4.2Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.21Å
417S96.9Very high96.3Very high95 Ų9537.9 Ų37.966%0.66422%0.22SC*.Hα-helixtrans-62.4-48.8-178.6-56.30000111.8V415 F419 L420 T421V415-S417 PolarHBondContact O-N 3.35Å; S417-F419 VanDerWaalsContact C-N 3.33Å; S417-F419 PolarHBondContact O-N 2.89Å; S417-L420 PolarHBondContact O-N 2.96Å; S417-T421 PolarHBondContact O-N 3.32Å; S417-T421 PolarHBondContact O-OG1 2.87Å
418S97.8Very high95.9Very high56 Ų5638 Ų3839%0.39222%0.22SC..Hα-helixtrans-66.1-35.1176.448.80000112.7V415 N422V415-S418 PolarHBondContact O-N 2.79Å; V415-S418 PolarHBondContact O-OG 2.92Å; S418-N422 VanDerWaalsContact O-CB 3.26Å; S418-N422 WeakPolarHBondContact O-CB 3.33Å; S418-N422 PolarHBondContact O-N 3.37Å; S418-N422 PolarHBondContact O-ND2 3.04Å
419F97.8Very high95.1Very high0 Ų043.2 Ų43.20%024%0.244CC..Hα-helixtrans-59.5-51.9175.8172.2-86.2000110.4V223 C388 F391 A393 V411 V415 L416 S417 T421 N422 V423 L442V223-F419 HydrophobicContact CB-CE1 3.91Å; V223-F419 HydrophobicContact CG1-CD1 4.4Å; V223-F419 HydrophobicContact CG1-CE1 3.69Å; V223-F419 HydrophobicContact CG2-CD1 4.38Å; V223-F419 HydrophobicContact CG2-CE1 4.15Å; C388-F419 HydrophobicContact CB-CE2 3.85Å; C388-F419 HydrophobicContact CB-CZ 3.91Å; C388-F419 WeakPolarHBondContact O-CE2 3.17Å; F391-F419 HydrophobicContact CB-CD2 4.3Å; A393-F419 HydrophobicContact CB-CE2 3.88Å; V411-F419 HydrophobicContact CG1-CB 3.92Å; V411-F419 HydrophobicContact CG1-CD1 4.34Å; V411-F419 HydrophobicContact CG1-CD2 4.07Å; V411-F419 HydrophobicContact CG1-CG 3.85Å; V411-F419 HydrophobicContact CG2-CD1 4.07Å; V411-F419 HydrophobicContact CG2-CD2 3.93Å; V411-F419 HydrophobicContact CG2-CE1 3.96Å; V411-F419 HydrophobicContact CG2-CE2 3.78Å; V411-F419 HydrophobicContact CG2-CG 4.07Å; V411-F419 HydrophobicContact CG2-CZ 3.8Å; V415-F419 VanDerWaalsContact O-CB 3.27Å; V415-F419 WeakPolarHBondContact O-CB 3.31Å; V415-F419 PolarHBondContact O-N 2.62Å; L416-F419 WeakPolarHBondContact O-CB 3.4Å; L416-F419 PolarHBondContact O-N 3.28Å; S417-F419 VanDerWaalsContact C-N 3.33Å; S417-F419 PolarHBondContact O-N 2.89Å; F419-T421 PolarHBondContact O-N 3.35Å; F419-N422 PolarHBondContact O-N 3.16Å; F419-V423 HydrophobicContact CD1-CG2 4.25Å; F419-V423 HydrophobicContact CD2-CG2 4.05Å; F419-V423 HydrophobicContact CE1-CG2 3.97Å; F419-V423 HydrophobicContact CE2-CG2 3.79Å; F419-V423 HydrophobicContact CG-CG2 4.28Å; F419-V423 HydrophobicContact CZ-CG2 3.75Å; F419-V423 WeakPolarHBondContact O-CB 3.48Å; F419-V423 VanDerWaalsContact O-CG2 3.23Å; F419-V423 WeakPolarHBondContact O-CG2 3.37Å; F419-V423 PolarHBondContact O-N 3.36Å; F419-L442 HydrophobicContact CE1-CD1 4.46Å
420L96.1Very high93.7Very high50 Ų5053.1 Ų53.126%0.26228%0.282SS..Hα-helixtrans-59.6-47.8-178.6-69.4171.5000111.3V223 L416 S417 H424 L442V223-L420 HydrophobicContact CG1-CD2 3.85Å; L416-L420 HydrophobicContact CD1-CD1 4.12Å; L416-L420 HydrophobicContact CD1-CG 4.14Å; L416-L420 HydrophobicContact CG-CD1 4.2Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.21Å; S417-L420 PolarHBondContact O-N 2.96Å; L420-H424 WeakPolarHBondContact O-CB 3.31Å; L420-H424 PolarHBondContact O-N 2.65Å; L420-L442 HydrophobicContact CD2-CD1 4.18Å; L420-L442 HydrophobicContact CD2-CD2 4.1Å; L420-L442 HydrophobicContact CD2-CG 3.82Å; L420-L442 WeakPolarHBondContact O-CD2 3.45Å
421T95.2Very high92Very high75 Ų7557 Ų5746%0.4630%0.303SS..Hα-helixtrans-61-49.6177.8-60.10000112S417 F419 H424 E425S417-T421 PolarHBondContact O-N 3.32Å; S417-T421 PolarHBondContact O-OG1 2.87Å; F419-T421 PolarHBondContact O-N 3.35Å; T421-H424 WeakPolarHBondContact O-CB 3.44Å; T421-H424 PolarHBondContact O-N 3.39Å; T421-E425 WeakPolarHBondContact O-CG 3.26Å; T421-E425 PolarHBondContact O-N 3.37Å
422N96.7Very high89.7Confident55 Ų5562.2 Ų62.229%0.29434%0.339SS..Hα-helixtrans-71.2-37.5-174.3-68.3-30.7000112.8F391 S418 F419 H424 E425 A426F391-N422 HydrophobicContact CB-CB 4.06Å; F391-N422 HydrophobicContact CD1-CB 3.45Å; F391-N422 VanDerWaalsContact CD1-CB 3.45Å; F391-N422 HydrophobicContact CD2-CB 3.87Å; F391-N422 HydrophobicContact CE1-CB 3.74Å; F391-N422 HydrophobicContact CE2-CB 4.14Å; F391-N422 HydrophobicContact CG-CB 3.52Å; F391-N422 HydrophobicContact CZ-CB 4.07Å; S418-N422 VanDerWaalsContact O-CB 3.26Å; S418-N422 WeakPolarHBondContact O-CB 3.33Å; S418-N422 PolarHBondContact O-N 3.37Å; S418-N422 PolarHBondContact O-ND2 3.04Å; F419-N422 PolarHBondContact O-N 3.16Å; N422-H424 VanDerWaalsContact C-N 3.32Å; N422-E425 PolarHBondContact O-N 3.44Å; N422-A426 WeakPolarHBondContact O-CB 3.49Å; N422-A426 PolarHBondContact O-N 3.3Å
423V95.8Very high87.7Confident0 Ų066 Ų660%037%0.365CS..Hα-helixtrans-65.6-41.3174173.40000110L384 I387 F391 F419 A426 Y427 Y428 L442L384-V423 HydrophobicContact CD1-CG1 4.17Å; I387-V423 HydrophobicContact CG2-CB 4.35Å; I387-V423 HydrophobicContact CG2-CG1 4.18Å; I387-V423 HydrophobicContact CG2-CG2 4.06Å; F391-V423 HydrophobicContact CB-CG2 4.26Å; F391-V423 HydrophobicContact CD2-CG2 4.04Å; F419-V423 HydrophobicContact CD1-CG2 4.25Å; F419-V423 HydrophobicContact CD2-CG2 4.05Å; F419-V423 HydrophobicContact CE1-CG2 3.97Å; F419-V423 HydrophobicContact CE2-CG2 3.79Å; F419-V423 HydrophobicContact CG-CG2 4.28Å; F419-V423 HydrophobicContact CZ-CG2 3.75Å; F419-V423 WeakPolarHBondContact O-CB 3.48Å; F419-V423 VanDerWaalsContact O-CG2 3.23Å; F419-V423 WeakPolarHBondContact O-CG2 3.37Å; F419-V423 PolarHBondContact O-N 3.36Å; V423-A426 PolarHBondContact O-N 3.31Å; V423-Y427 WeakPolarHBondContact O-CB 3.33Å; V423-Y427 PolarHBondContact O-N 2.97Å; V423-Y428 HydrophobicContact CG1-CE2 4.23Å; V423-L442 HydrophobicContact CB-CD2 4.09Å; V423-L442 HydrophobicContact CG1-CD1 4.07Å; V423-L442 HydrophobicContact CG1-CD2 3.98Å
424H92.8Very high85.6Confident41 Ų4162.6 Ų62.619%0.1935%0.345CS..Iπ-helixtrans-54.8-53.8174-173.4-84.2000112.2L420 T421 N422 Y428 Q429 E438 L442L420-H424 WeakPolarHBondContact O-CB 3.31Å; L420-H424 PolarHBondContact O-N 2.65Å; T421-H424 WeakPolarHBondContact O-CB 3.44Å; T421-H424 PolarHBondContact O-N 3.39Å; N422-H424 VanDerWaalsContact C-N 3.32Å; H424-Y428 WeakPolarHBondContact O-CA 3.46Å; H424-Y428 WeakPolarHBondContact O-CB 3.36Å; H424-Y428 PolarHBondContact O-N 2.9Å; H424-Q429 PolarHBondContact O-N 3.32Å; H424-Q429 VanDerWaalsContact O-N 3.12Å; H424-E438 IonicContact CE1-OE1 2.98Å; H424-E438 PolarHBondContact CE1-OE1 3.32Å; H424-E438 WeakPolarHBondContact NE2-CG 3.49Å; H424-E438 IonicContact NE2-OE1 2.97Å; H424-E438 PolarHBondContact NE2-OE1 2.72Å; H424-L442 HydrophobicContact CB-CD2 4.2Å
425E92.5Very high83.4Confident92 Ų9260.4 Ų60.443%0.4333%0.333SS..Iπ-helixtrans-64.9-41.9179.3-68.5178.2-17800112.8T421 N422T421-E425 WeakPolarHBondContact O-CG 3.26Å; T421-E425 PolarHBondContact O-N 3.37Å; N422-E425 PolarHBondContact O-N 3.44Å
426A94.2Very high81.1Confident20 Ų2063.4 Ų63.417%0.16536%0.362CS..Iπ-helixtrans-74.6-35.9-173.400000113.6I387 F391 N422 V423I387-A426 HydrophobicContact CD1-CB 4.31Å; I387-A426 HydrophobicContact CG1-CB 4.49Å; I387-A426 HydrophobicContact CG2-CB 4.08Å; F391-A426 HydrophobicContact CE2-CB 3.49Å; F391-A426 VanDerWaalsContact CE2-CB 3.49Å; F391-A426 HydrophobicContact CZ-CB 3.99Å; N422-A426 WeakPolarHBondContact O-CB 3.49Å; N422-A426 PolarHBondContact O-N 3.3Å; V423-A426 PolarHBondContact O-N 3.31Å
427Y92.6Very high79.1Confident11 Ų1165.2 Ų65.24%0.04337%0.371CS..Iπ-helixtrans-106-46.1-174.1-167.1-100.8000113.1S227 E380 Q383 L384 I387 V423S227-Y427 VanDerWaalsContact CA-OH 3.23Å; S227-Y427 WeakPolarHBondContact CA-OH 3.41Å; S227-Y427 WeakPolarHBondContact CB-OH 3.43Å; S227-Y427 PolarHBondContact O-OH 2.86Å; E380-Y427 WeakPolarHBondContact CB-OH 3.47Å; E380-Y427 PolarHBondContact O-OH 2.99Å; Q383-Y427 HydrophobicContact CG-CE2 4.5Å; L384-Y427 HydrophobicContact CB-CD2 4.21Å; L384-Y427 HydrophobicContact CB-CE2 3.81Å; L384-Y427 HydrophobicContact CD1-CD1 3.94Å; L384-Y427 HydrophobicContact CD1-CD2 3.96Å; L384-Y427 HydrophobicContact CD1-CE1 4.28Å; L384-Y427 HydrophobicContact CD1-CE2 4.29Å; L384-Y427 HydrophobicContact CD1-CG 3.75Å; L384-Y427 HydrophobicContact CD2-CE1 4.14Å; L384-Y427 HydrophobicContact CG-CE2 4.5Å; I387-Y427 HydrophobicContact CD1-CD2 3.81Å; I387-Y427 HydrophobicContact CD1-CG 4.46Å; V423-Y427 WeakPolarHBondContact O-CB 3.33Å; V423-Y427 PolarHBondContact O-N 2.97Å
428Y89.1Confident77.2Confident3 Ų364 Ų641%0.01236%0.355CS..Iπ-helixtrans-92.6-33.1-168.2-61.1-79.9000113.7N226 V423 H424 R430 S434 S441 L442N226-Y428 PolarHBondContact N-OH 3.13Å; N226-Y428 VanDerWaalsContact N-OH 3.11Å; N226-Y428 VanDerWaalsContact O-CE1 3.25Å; N226-Y428 WeakPolarHBondContact O-CE1 3.23Å; N226-Y428 PolarHBondContact O-OH 3.48Å; V423-Y428 HydrophobicContact CG1-CE2 4.23Å; H424-Y428 WeakPolarHBondContact O-CA 3.46Å; H424-Y428 WeakPolarHBondContact O-CB 3.36Å; H424-Y428 PolarHBondContact O-N 2.9Å; Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 2.9Å; Y428-S434 PolarHBondContact O-OG 3.15Å; Y428-S441 PolarHBondContact OH-O 2.88Å; Y428-L442 HydrophobicContact CE2-CB 3.97Å; Y428-L442 HydrophobicContact CE2-CD2 4.26Å
429Q82.8Confident75.3Confident108 Ų10870.2 Ų70.251%0.50538%0.375SS..THydrogen-bonded Turntrans-73.4-22.6178.1-73.2-175.8-5.500113.7H424H424-Q429 PolarHBondContact O-N 3.32Å; H424-Q429 VanDerWaalsContact O-N 3.12Å
430R68.4Low74Confident209 Ų20976.1 Ų76.179%0.78940%0.402SS*.THydrogen-bonded Turntrans-81-15.3-179.4-68.7-173.9177.6-170.6-2.6113.9Y428Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 2.9Å
431N61.9Low73.5Confident83 Ų8373.8 Ų73.844%0.44439%0.39SS..  trans-110.2116.1178.9-92.1-26.6000110.1S433 S434N431-S433 PolarHBondContact O-N 2.87Å; N431-S434 WeakPolarHBondContact CB-OG 3.45Å; N431-S434 PolarHBondContact O-N 3.07Å; N431-S434 VanDerWaalsContact O-N 3.15Å; N431-S434 PolarHBondContact O-OG 3.23Å
432S51.3Low73.4Confident109 Ų10971.2 Ų71.276%0.76237%0.374SS*.THydrogen-bonded Turntrans-67-20.2179.452.80000113.2
433S54.2Low73.2Confident94 Ų9470 Ų7066%0.65737%0.366SS*.THydrogen-bonded Turntrans-76.4-17.7174.146.90000114N431N431-S433 PolarHBondContact O-N 2.87Å
434S52.7Low73.1Confident5 Ų572.2 Ų72.24%0.03538%0.384CS..THydrogen-bonded Turntrans-88.6-13.3-179.432.30000115.2Y428 N431 A436 L437 E438Y428-S434 PolarHBondContact O-OG 3.15Å; N431-S434 WeakPolarHBondContact CB-OG 3.45Å; N431-S434 PolarHBondContact O-N 3.07Å; N431-S434 VanDerWaalsContact O-N 3.15Å; N431-S434 PolarHBondContact O-OG 3.23Å; S434-A436 VanDerWaalsContact C-N 3.29Å; S434-A436 PolarHBondContact O-N 3.15Å; S434-L437 PolarHBondContact O-N 3.05Å; S434-L437 VanDerWaalsContact O-N 3.09Å; S434-E438 PolarHBondContact O-N 3.33Å
435L48.7Very low73.2Confident93 Ų9370.9 Ų70.949%0.48738%0.378SS..THydrogen-bonded Turntrans-63.9-27.6-176.2-79.4153.4000113.8L437L435-L437 VanDerWaalsContact C-N 3.33Å
436A48.8Very low73.2Confident103 Ų10371.3 Ų71.385%0.85138%0.379SS*.THydrogen-bonded Turntrans-78.3-15.7176.600000113.7S434S434-A436 VanDerWaalsContact C-N 3.29Å; S434-A436 PolarHBondContact O-N 3.15Å
437L55.4Low73.3Confident68 Ų6871.1 Ų71.136%0.35638%0.376SS..SBendtrans-104.40.3-177.4-82.8144.2000113S434 L435 K439 H440 S441S434-L437 PolarHBondContact O-N 3.05Å; S434-L437 VanDerWaalsContact O-N 3.09Å; L435-L437 VanDerWaalsContact C-N 3.33Å; L437-K439 PolarHBondContact O-N 3.44Å; L437-H440 PolarHBondContact O-N 2.89Å; L437-S441 PolarHBondContact O-N 2.92Å; L437-S441 VanDerWaalsContact O-N 3.13Å; L437-S441 PolarHBondContact O-OG 3.42Å
438E56.4Low73.4Confident69 Ų6970.8 Ų70.832%0.32238%0.376SS..Hα-helixtrans-54.1-43.2-161.3-160.8175.6-145.200114.8H424 S434 H440H424-E438 IonicContact CE1-OE1 2.98Å; H424-E438 PolarHBondContact CE1-OE1 3.32Å; H424-E438 WeakPolarHBondContact NE2-CG 3.49Å; H424-E438 IonicContact NE2-OE1 2.97Å; H424-E438 PolarHBondContact NE2-OE1 2.72Å; S434-E438 PolarHBondContact O-N 3.33Å; E438-H440 PolarHBondContact O-N 3.04Å
439K56.9Low73.8Confident187 Ų18771.9 Ų71.981%0.81339%0.389SS*.Hα-helixtrans-77.8-17.9-178.2-82.8-175.7177.6178.40115.2L437L437-K439 PolarHBondContact O-N 3.44Å
440H70.9Confident74.5Confident123 Ų12367 Ų6757%0.56937%0.367SS*.Hα-helixtrans-112.6-5.9-173.9-62.1-59.3000113.1L437 E438 F443L437-H440 PolarHBondContact O-N 2.89Å; E438-H440 PolarHBondContact O-N 3.04Å; H440-F443 WeakPolarHBondContact O-CE1 3.21Å
441S85.4Confident75.9Confident1 Ų157.1 Ų57.11%0.00733%0.33CS..Hα-helixtrans-89.7-22.3-178.6-73.10000114.4A225 N226 Y428 L437A225-S441 CarbonylContact C-O 3.53Å; A225-S441 VanDerWaalsContact CA-O 3.28Å; A225-S441 WeakPolarHBondContact CA-O 3.45Å; N226-S441 PolarHBondContact N-O 3.1Å; Y428-S441 PolarHBondContact OH-O 2.88Å; L437-S441 PolarHBondContact O-N 2.92Å; L437-S441 VanDerWaalsContact O-N 3.13Å; L437-S441 PolarHBondContact O-OG 3.42Å
442L93Very high77.6Confident22 Ų2255.6 Ų55.612%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-134.7112.4179.8-179.665.6000110.4V223 I224 A225 F419 L420 V423 H424 Y428V223-L442 HydrophobicContact CG1-CD1 3.78Å; I224-L442 WeakPolarHBondContact O-CA 3.24Å; A225-L442 HydrophobicContact CB-CD1 3.6Å; F419-L442 HydrophobicContact CE1-CD1 4.46Å; L420-L442 HydrophobicContact CD2-CD1 4.18Å; L420-L442 HydrophobicContact CD2-CD2 4.1Å; L420-L442 HydrophobicContact CD2-CG 3.82Å; L420-L442 WeakPolarHBondContact O-CD2 3.45Å; V423-L442 HydrophobicContact CB-CD2 4.09Å; V423-L442 HydrophobicContact CG1-CD1 4.07Å; V423-L442 HydrophobicContact CG1-CD2 3.98Å; H424-L442 HydrophobicContact CB-CD2 4.2Å; Y428-L442 HydrophobicContact CE2-CB 3.97Å; Y428-L442 HydrophobicContact CE2-CD2 4.26Å
443F93.6Very high79.8Confident30 Ų3050.6 Ų50.613%0.13229%0.286CS..EExtended strand (participates in β ladder)trans-152.9142.3-177.760.3-86.3000113.1Q64 L143 V223 I224 H440Q64-F443 VanDerWaalsContact NE2-CE2 3.34Å; L143-F443 HydrophobicContact CD1-CZ 4.21Å; V223-F443 WeakPolarHBondContact CG1-O 2.79Å; I224-F443 HydrophobicContact CB-CD1 4.35Å; I224-F443 HydrophobicContact CB-CD2 4.33Å; I224-F443 HydrophobicContact CB-CE1 3.92Å; I224-F443 HydrophobicContact CB-CE2 3.9Å; I224-F443 HydrophobicContact CB-CZ 3.68Å; I224-F443 HydrophobicContact CG1-CD2 4.41Å; I224-F443 HydrophobicContact CG1-CE2 3.78Å; I224-F443 HydrophobicContact CG1-CZ 3.9Å; I224-F443 HydrophobicContact CG2-CE1 3.93Å; I224-F443 HydrophobicContact CG2-CZ 3.82Å; I224-F443 PolarHBondContact N-O 3Å; I224-F443 PolarHBondContact O-N 2.88Å; H440-F443 WeakPolarHBondContact O-CE1 3.21Å
444A94.6Very high81.9Confident46 Ų4647.3 Ų47.338%0.3826%0.26SS..EExtended strand (participates in β ladder)trans-70.2146.7167.300000110.3V221 V223V221-A444 HydrophobicContact CG1-CB 3.81Å; V223-A444 HydrophobicContact CG2-CB 4.45Å
445T93.9Very high84Confident12 Ų1249.8 Ų49.87%0.07427%0.273CS..EExtended strand (participates in β ladder)trans-137.9156.5179.8-171.30000111.3M60 F222 I224M60-T445 HydrophobicContact CE-CG2 3.59Å; F222-T445 HydrophobicContact CB-CG2 4.04Å; F222-T445 WeakPolarHBondContact O-CG2 3.29Å; F222-T445 PolarHBondContact O-N 2.86Å; I224-T445 HydrophobicContact CD1-CG2 4.07Å; I224-T445 HydrophobicContact CG1-CG2 3.8Å
446K92Very high86.1Confident102 Ų10249 Ų4944%0.44327%0.267SS..  trans-130.7160.2173.958.2170.3178.7154.90108.6E63 E198 G448E63-K446 WeakPolarHBondContact OE1-CE 3.45Å; E63-K446 IonicContact OE1-NZ 3.71Å; E198-K446 IonicContact OE1-NZ 2.74Å; E198-K446 PolarHBondContact OE1-NZ 3.18Å; E198-K446 VanDerWaalsContact OE1-NZ 3.16Å; K446-G448 PolarHBondContact O-N 3.23Å
447P96.4Very high88Confident15 Ų1548.7 Ų48.710%0.09726%0.264CS..  trans-60.8115.6176.7-15.524.9000111.3M60 E198 G199 T200 L216M60-P447 HydrophobicContact CB-CB 4.11Å; M60-P447 HydrophobicContact SD-CB 3.91Å; M60-P447 HydrophobicContact SD-CG 3.56Å; M60-P447 VanDerWaalsContact SD-CG 3.56Å; E198-P447 WeakPolarHBondContact CA-O 3.16Å; G199-P447 PolarHBondContact N-O 3.29Å; T200-P447 WeakPolarHBondContact O-CB 3.27Å; L216-P447 HydrophobicContact CD1-CG 3.79Å
448G95.9Very high89.6Confident5 Ų547.7 Ų47.75%0.05226%0.26CS..  trans-88.4169.6176.200000113A61 E197 K446A61-G448 PolarHBondContact O-N 3.03Å; E197-G448 CarbonylContact C-O 3.55Å; K446-G448 PolarHBondContact O-N 3.23Å
449G96.1Very high91.3Very high26 Ų2646.6 Ų46.627%0.26826%0.256SS..  trans-81.3160.817300000113.5R38 P40R38-G449 PolarHBondContact NH2-O 3.05Å; P40-G449 WeakPolarHBondContact CG-O 3.42Å
450G97.6Very high93.2Very high6 Ų638.8 Ų38.86%0.06223%0.225CC..  trans-72.7-164.5-179.200000116.2S193 A196S193-G450 CarbonylContact O-C 3.56Å; S193-G450 WeakPolarHBondContact O-CA 3.2Å; A196-G450 PolarHBondContact O-N 3.36Å
451A98.2Very high94.6Very high1 Ų133.8 Ų33.81%0.00821%0.205CC..  trans-67.2142.5179.800000112.5R38 A39 L155 S193 F194R38-A451 CarbonylContact O-C 3.6Å; R38-A451 WeakPolarHBondContact O-CA 3.27Å; R38-A451 WeakPolarHBondContact O-CB 3.25Å; A39-A451 HydrophobicContact CB-CB 4.06Å; L155-A451 HydrophobicContact CD2-CB 4Å; S193-A451 PolarHBondContact O-N 3.49Å; F194-A451 HydrophobicContact CD1-CB 3.69Å; F194-A451 HydrophobicContact CE1-CB 3.86Å
452L97.4Very high95.1Very high50 Ų5035.9 Ų35.926%0.26222%0.217SC..EExtended strand (participates in β ladder)trans-145.3147.7-174.1-69.6173.1000111.7P6 V37 R38 F454P6-L452 HydrophobicContact CB-CD2 4.2Å; P6-L452 CarbonylContact O-C 3.59Å; P6-L452 WeakPolarHBondContact O-CA 3.49Å; P6-L452 WeakPolarHBondContact O-CD2 3.42Å; V37-L452 CarbonylContact C-O 3.6Å; V37-L452 WeakPolarHBondContact CA-O 3.28Å; R38-L452 HydrophobicContact CG-CB 3.93Å; R38-L452 PolarHBondContact N-O 3.27Å; R38-L452 PolarHBondContact O-N 3.38Å; L452-F454 HydrophobicContact CB-CE1 4.17Å; L452-F454 HydrophobicContact CB-CZ 4.22Å; L452-F454 HydrophobicContact CD1-CE1 4.2Å; L452-F454 HydrophobicContact CD1-CZ 4.39Å
453V98.2Very high95.3Very high4 Ų436.8 Ų36.82%0.02422%0.224CC..EExtended strand (participates in β ladder)trans-96.1131165.6-177.60000108P6 T7 K8 F35 Y36 V37 L155 T159P6-V453 HydrophobicContact CG-CG2 4.45Å; P6-V453 PolarHBondContact O-N 3.01Å; T7-V453 CarbonylContact C-O 3.55Å; T7-V453 WeakPolarHBondContact CA-O 3.25Å; K8-V453 PolarHBondContact N-O 3.37Å; F35-V453 HydrophobicContact CD2-CG1 4.15Å; Y36-V453 CarbonylContact O-C 3.57Å; Y36-V453 WeakPolarHBondContact O-CA 3.26Å; V37-V453 HydrophobicContact CG2-CG2 4.25Å; L155-V453 HydrophobicContact CD1-CG2 4.07Å; L155-V453 HydrophobicContact CD2-CG2 4.08Å; L155-V453 HydrophobicContact CG-CG2 3.98Å; T159-V453 HydrophobicContact CG2-CG1 4.2Å
454F97.8Very high95.4Very high25 Ų2537.3 Ų37.311%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-108.4131.3173.6-57.4-60.1000111.1K8 V10 Y36 R38 L67 L452K8-F454 HydrophobicContact CB-CD1 4.04Å; K8-F454 HydrophobicContact CB-CE1 4.25Å; K8-F454 HydrophobicContact CD-CE1 4.2Å; K8-F454 VanDerWaalsContact O-CA 3.29Å; K8-F454 WeakPolarHBondContact O-CA 3.37Å; V10-F454 HydrophobicContact CG1-CD1 3.8Å; V10-F454 HydrophobicContact CG1-CE1 4.33Å; V10-F454 HydrophobicContact CG1-CG 4.48Å; V10-F454 HydrophobicContact CG2-CB 3.93Å; V10-F454 HydrophobicContact CG2-CD1 4.49Å; V10-F454 HydrophobicContact CG2-CG 4.4Å; Y36-F454 HydrophobicContact CD2-CB 4.4Å; Y36-F454 PolarHBondContact N-O 3.22Å; Y36-F454 PolarHBondContact O-N 2.9Å; R38-F454 HydrophobicContact CB-CE2 3.92Å; R38-F454 HydrophobicContact CG-CD2 4.47Å; R38-F454 HydrophobicContact CG-CE2 3.47Å; R38-F454 VanDerWaalsContact CG-CE2 3.47Å; R38-F454 HydrophobicContact CG-CZ 3.67Å; L67-F454 HydrophobicContact CD1-CD2 4.29Å; L67-F454 HydrophobicContact CD1-CE2 4.3Å; L452-F454 HydrophobicContact CB-CE1 4.17Å; L452-F454 HydrophobicContact CB-CZ 4.22Å; L452-F454 HydrophobicContact CD1-CE1 4.2Å; L452-F454 HydrophobicContact CD1-CZ 4.39Å
455L96.8Very high95.4Very high58 Ų5836.6 Ų36.630%0.30422%0.219SC..EExtended strand (participates in β ladder)trans-108.7132.4169-63.6177.2000108.9T7 K8 R9 V10 F35 A457T7-L455 HydrophobicContact CG2-CD1 3.66Å; T7-L455 HydrophobicContact CG2-CG 3.92Å; K8-L455 PolarHBondContact O-N 2.91Å; R9-L455 CarbonylContact C-O 3.49Å; R9-L455 WeakPolarHBondContact CA-O 3.23Å; R9-L455 HydrophobicContact CG-CB 4.35Å; V10-L455 PolarHBondContact N-O 3.25Å; F35-L455 HydrophobicContact CB-CD2 3.74Å; L455-A457 PolarHBondContact O-N 3.14Å
456E93.7Very high95.6Very high76 Ų7638.7 Ų38.736%0.35523%0.232SC..EExtended strand (participates in β ladder)trans-64.8125.8171.3-173.9163.5-155.600108.9V10 V12 K22V10-E456 WeakPolarHBondContact O-CA 3.11Å; V12-E456 HydrophobicContact CB-CG 4.29Å; V12-E456 WeakPolarHBondContact CB-OE1 3.34Å; V12-E456 HydrophobicContact CG2-CB 3.91Å; V12-E456 HydrophobicContact CG2-CG 3.63Å; K22-E456 IonicContact NZ-OE1 2.64Å; K22-E456 PolarHBondContact NZ-OE1 3.36Å; K22-E456 IonicContact NZ-OE2 2.75Å; K22-E456 PolarHBondContact NZ-OE2 2.86Å
457A86.9Confident95.9Very high96 Ų9632.9 Ų32.979%0.79321%0.212SC*.  trans-76.70-172.900000113.3R9 V10 Q11 L455R9-A457 HydrophobicContact CB-CB 4.24Å; V10-A457 PolarHBondContact O-N 3.46Å; Q11-A457 HydrophobicContact CG-CB 4.41Å; L455-A457 PolarHBondContact O-N 3.14Å

Retrieved 457 of 457 residues in 117.5 ms (Link to these results)

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