A0A087X2Y7_POEFO Loading...

2-amino-3-carboxymuconate-6-semialdehyde decarboxylase

Converts alpha-amino-beta-carboxymuconate-epsilon-semialdehyde (ACMS) to alpha-aminomuconate semialdehyde (AMS). ACMS can be converted non-enzymatically to quinolate (QA), a key precursor of NAD, and a potent endogenous excitotoxin of neuronal cells which is implicated in the pathogenesis of various neurodegenerative disorders. In the presence of ACMSD, ACMS is converted to AMS, a benign catabolite. ACMSD ultimately controls the metabolic fate of tryptophan catabolism along the kynurenine pathway.

AlphaFold DB , UniProt , Accession A0A087X2Y7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M93.9Very high98.2Very high61 Ų618.7 Ų8.730%0.34%0.043SC..  0131.60-175.3-177.6-173.100107.6V3 T69 V70 A322 L326 R333 F336M1-V3 HydrophobicContact CE-CG2 3.41Å; M1-V3 VanDerWaalsContact CE-CG2 3.41Å; M1-V3 HydrophobicContact CG-CG2 4.34Å; M1-V3 HydrophobicContact SD-CG2 4.27Å; M1-T69 WeakPolarHBondContact CA-OG1 3.41Å; M1-T69 HydrophobicContact CG-CG2 4.03Å; M1-V70 HydrophobicContact CE-CG2 3.75Å; M1-A322 HydrophobicContact CB-CB 4.35Å; M1-A322 HydrophobicContact CG-CB 4.15Å; M1-A322 HydrophobicContact SD-CB 4.26Å; M1-L326 HydrophobicContact CE-CD1 4.33Å; M1-L326 HydrophobicContact CE-CD2 4.19Å; M1-L326 HydrophobicContact SD-CD1 4.12Å; M1-R333 HydrophobicContact SD-CG 3.82Å; M1-F336 HydrophobicContact CE-CB 3.93Å; M1-F336 HydrophobicContact CE-CD2 3.57Å; M1-F336 HydrophobicContact CE-CE2 4.42Å; M1-F336 HydrophobicContact CE-CG 3.99Å
2K97.8Very high98Very high24 Ų2417.3 Ų17.310%0.1048%0.08CC..  trans-123.3131.7168.6-67.7-176.4177.81790108.2T69 V70 L288 P301 E306 L321K2-T69 PolarHBondContact N-OG1 3.01Å; K2-T69 WeakPolarHBondContact O-CA 3.17Å; K2-T69 VanDerWaalsContact O-CB 3.26Å; K2-T69 WeakPolarHBondContact O-CB 2.95Å; K2-T69 PolarHBondContact O-N 3.11Å; K2-T69 PolarHBondContact O-OG1 2.89Å; K2-V70 PolarHBondContact O-N 3.22Å; K2-V70 VanDerWaalsContact O-N 3.11Å; K2-L288 HydrophobicContact CB-CD2 4.08Å; K2-L288 HydrophobicContact CD-CD2 4.49Å; K2-P301 PolarHBondContact NZ-O 2.8Å; K2-E306 WeakPolarHBondContact CE-OE1 3.41Å; K2-E306 IonicContact NZ-OE1 2.74Å; K2-E306 PolarHBondContact NZ-OE1 2.81Å; K2-E306 IonicContact NZ-OE2 3.75Å; K2-E306 PolarHBondContact NZ-OE2 3.32Å; K2-L321 CarbonylContact C-O 3.38Å; K2-L321 VanDerWaalsContact CA-O 3.27Å; K2-L321 WeakPolarHBondContact CA-O 3.48Å; K2-L321 HydrophobicContact CD-CD2 4.28Å; K2-L321 HydrophobicContact CG-CB 4.37Å; K2-L321 HydrophobicContact CG-CD1 4.44Å; K2-L321 HydrophobicContact CG-CD2 4.14Å
3V98.8Very high97.9Very high1 Ų127 Ų271%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-117116.9175-178.70000107.3M1 V70 L321 A322 A325M1-V3 HydrophobicContact CE-CG2 3.41Å; M1-V3 VanDerWaalsContact CE-CG2 3.41Å; M1-V3 HydrophobicContact CG-CG2 4.34Å; M1-V3 HydrophobicContact SD-CG2 4.27Å; V3-V70 WeakPolarHBondContact CA-O 3.24Å; V3-V70 HydrophobicContact CG1-CB 4.35Å; V3-V70 HydrophobicContact CG2-CB 4.29Å; V3-L321 PolarHBondContact N-O 3.43Å; V3-A322 HydrophobicContact CG2-CB 3.98Å; V3-A325 HydrophobicContact CB-CB 3.88Å; V3-A325 HydrophobicContact CG1-CB 3.64Å
4D98.9Very high97.8Very high0 Ų026.9 Ų26.90%012%0.123CC..EExtended strand (participates in β ladder)trans-95.4109.1177.5176.18.4000109.6H6 N7 V68 V70 Q71 A72 G289 T290D4-H6 PolarHBondContact OD1-N 2.69Å; D4-H6 VanDerWaalsContact OD1-N 3.12Å; D4-H6 VanDerWaalsContact OD1-O 3.05Å; D4-N7 PolarHBondContact O-ND2 3.25Å; D4-V68 HydrophobicContact CB-CG1 4.05Å; D4-V70 PolarHBondContact N-O 3.24Å; D4-Q71 HydrophobicContact CB-CG 3.97Å; D4-Q71 PolarHBondContact OD2-NE2 2.74Å; D4-A72 PolarHBondContact O-N 2.87Å; D4-G289 WeakPolarHBondContact OD1-CA 3.45Å; D4-T290 HydrophobicContact CB-CG2 4.4Å; D4-T290 VanDerWaalsContact CG-OG1 3.3Å; D4-T290 PolarHBondContact OD1-N 3.05Å; D4-T290 VanDerWaalsContact OD1-N 3.11Å; D4-T290 PolarHBondContact OD1-OG1 3.23Å; D4-T290 WeakPolarHBondContact OD2-CG2 3.39Å; D4-T290 PolarHBondContact OD2-OG1 3.02Å
5I98.8Very high97.8Very high1 Ų128.8 Ų28.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-82.1-14.8-176.2-15663.4000113.3A72 F172 D265 M287 L288 F328 L329I5-A72 HydrophobicContact CD1-CB 3.85Å; I5-F172 HydrophobicContact CG2-CE2 4.45Å; I5-D265 HydrophobicContact CG2-CB 4.08Å; I5-M287 HydrophobicContact CG1-CE 4.08Å; I5-M287 HydrophobicContact CG2-CB 4.26Å; I5-M287 HydrophobicContact CG2-CE 4.31Å; I5-L288 VanDerWaalsContact CG2-O 3.3Å; I5-L288 WeakPolarHBondContact CG2-O 3.38Å; I5-L288 PolarHBondContact N-O 3.29Å; I5-F328 HydrophobicContact CD1-CD1 3.84Å; I5-F328 HydrophobicContact CD1-CE1 3.96Å; I5-F328 HydrophobicContact CG1-CD1 4.18Å; I5-F328 HydrophobicContact CG1-CE1 4.1Å; I5-L329 HydrophobicContact CD1-CD1 3.63Å; I5-L329 HydrophobicContact CD1-CD2 3.82Å; I5-L329 HydrophobicContact CD1-CG 3.79Å
6H98.9Very high97.7Very high0 Ų030.8 Ų30.80%015%0.15CC..EExtended strand (participates in β ladder)trans-131.395.6-169.6-175.3-178.7000109.5D4 H8 F172 H174 H224 D265 T290 D291D4-H6 PolarHBondContact OD1-N 2.69Å; D4-H6 VanDerWaalsContact OD1-N 3.12Å; D4-H6 VanDerWaalsContact OD1-O 3.05Å; H6-H8 AromaticContact CD2-CE1 3.96Å; H6-H8 AromaticContact CD2-NE2 3.64Å; H6-H8 AromaticContact NE2-CE1 3.95Å; H6-H8 AromaticContact NE2-NE2 3.38Å; H6-H8 PolarHBondContact NE2-NE2 3.31Å; H6-F172 HydrophobicContact CB-CE1 4.45Å; H6-F172 HydrophobicContact CB-CE2 4.4Å; H6-F172 HydrophobicContact CB-CZ 3.78Å; H6-F172 AromaticContact CD2-CE1 3.83Å; H6-F172 AromaticContact CD2-CZ 3.79Å; H6-F172 AromaticContact CG-CZ 3.52Å; H6-F172 AromaticContact ND1-CZ 3.76Å; H6-H174 AromaticContact CE1-CD2 3.94Å; H6-H174 AromaticContact CE1-NE2 3.89Å; H6-H174 AromaticContact NE2-CD2 3.25Å; H6-H174 PolarHBondContact NE2-CD2 2.93Å; H6-H174 VanDerWaalsContact NE2-CD2 3.25Å; H6-H174 AromaticContact NE2-NE2 3.3Å; H6-H174 PolarHBondContact NE2-NE2 3.31Å; H6-H224 AromaticContact CE1-CD2 3.98Å; H6-H224 AromaticContact CE1-CE1 3.77Å; H6-H224 AromaticContact CE1-NE2 3.48Å; H6-H224 PolarHBondContact CE1-NE2 2.86Å; H6-D265 IonicContact CE1-OD2 3.58Å; H6-D265 IonicContact CG-OD2 3.02Å; H6-D265 IonicContact ND1-OD2 2.76Å; H6-D265 PolarHBondContact ND1-OD2 3.28Å; H6-T290 PolarHBondContact O-N 2.95Å; H6-T290 VanDerWaalsContact O-N 3.08Å; H6-T290 PolarHBondContact O-OG1 3Å; H6-D291 IonicContact NE2-OD1 2.68Å; H6-D291 WeakPolarHBondContact O-CA 3.25Å; H6-D291 PolarHBondContact O-N 3.43Å
7N98.8Very high97.7Very high0 Ų028.9 Ų28.90%014%0.141CC..EExtended strand (participates in β ladder)trans-158.3157.2176.567.993.7000108.8D4 R59 A72 L73 S74 Y292D4-N7 PolarHBondContact O-ND2 3.25Å; N7-R59 PolarHBondContact OD1-NH2 2.78Å; N7-A72 PolarHBondContact ND2-N 2.83Å; N7-A72 PolarHBondContact ND2-O 2.7Å; N7-L73 VanDerWaalsContact OD1-CD2 3.29Å; N7-L73 WeakPolarHBondContact OD1-CD2 3.27Å; N7-S74 PolarHBondContact O-N 2.9Å; N7-S74 PolarHBondContact O-OG 3.29Å; N7-Y292 CarbonylContact C-O 3.59Å; N7-Y292 WeakPolarHBondContact CA-O 3.44Å; N7-Y292 HydrophobicContact CB-CD1 4.48Å; N7-Y292 VanDerWaalsContact CB-O 3.32Å; N7-Y292 WeakPolarHBondContact CB-O 3.27Å
8H98.8Very high97.6Very high0 Ų033.2 Ų33.20%016%0.159CC..EExtended strand (participates in β ladder)trans-125.7140-172-58.5-61000112.9H6 R59 S74 T75 V76 Q142 H174 D291 Y292 P293 F294H6-H8 AromaticContact CD2-CE1 3.96Å; H6-H8 AromaticContact CD2-NE2 3.64Å; H6-H8 AromaticContact NE2-CE1 3.95Å; H6-H8 AromaticContact NE2-NE2 3.38Å; H6-H8 PolarHBondContact NE2-NE2 3.31Å; H8-R59 VanDerWaalsContact O-CZ 3.27Å; H8-R59 PolarHBondContact O-NH1 3.26Å; H8-R59 PolarHBondContact O-NH2 3.11Å; H8-S74 CarbonylContact C-O 3.47Å; H8-S74 VanDerWaalsContact CA-O 3.26Å; H8-S74 WeakPolarHBondContact CA-O 3.46Å; H8-S74 PolarHBondContact ND1-OG 3.43Å; H8-T75 PolarHBondContact ND1-O 2.93Å; H8-V76 HydrophobicContact CB-CG2 3.87Å; H8-Q142 PolarHBondContact CE1-OE1 2.92Å; H8-H174 AromaticContact CE1-CD2 3.6Å; H8-H174 AromaticContact CE1-NE2 3.93Å; H8-H174 AromaticContact NE2-CD2 3.6Å; H8-H174 AromaticContact NE2-NE2 3.48Å; H8-H174 PolarHBondContact NE2-NE2 3.47Å; H8-D291 IonicContact CD2-OD1 3.23Å; H8-D291 PolarHBondContact CD2-OD1 3.09Å; H8-D291 VanDerWaalsContact CD2-OD1 3.27Å; H8-D291 IonicContact NE2-OD1 3.68Å; H8-D291 PolarHBondContact NE2-OD1 3.32Å; H8-Y292 PolarHBondContact N-O 3.38Å; H8-P293 VanDerWaalsContact O-CD 3.3Å; H8-P293 WeakPolarHBondContact O-CD 3.45Å; H8-F294 HydrophobicContact CB-CE2 3.98Å; H8-F294 HydrophobicContact CB-CZ 4.3Å; H8-F294 AromaticContact CD2-CD2 3.77Å; H8-F294 AromaticContact CD2-CE2 3.45Å; H8-F294 VanDerWaalsContact CD2-CE2 3.45Å; H8-F294 WeakPolarHBondContact CD2-CE2 3.33Å; H8-F294 AromaticContact CG-CE2 3.97Å
9I98.8Very high97.6Very high3 Ų339.6 Ų39.62%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-132.4155175.6-161.5171.2000109.8C53 L73 S74 T75 L100 T103I9-C53 CarbonylContact C-O 3.43Å; I9-C53 WeakPolarHBondContact CA-O 3.39Å; I9-C53 WeakPolarHBondContact CG1-O 3.25Å; I9-L73 HydrophobicContact CD1-CD1 4.25Å; I9-L73 HydrophobicContact CG2-CB 3.99Å; I9-L73 HydrophobicContact CG2-CD1 4.4Å; I9-S74 PolarHBondContact N-O 3.38Å; I9-T75 WeakPolarHBondContact O-CA 3.48Å; I9-L100 HydrophobicContact CG2-CD1 3.45Å; I9-L100 VanDerWaalsContact CG2-CD1 3.45Å; I9-T103 HydrophobicContact CD1-CG2 4.14Å
10L98.5Very high97.6Very high1 Ų143.6 Ų43.61%0.00520%0.202CC..  trans-127.5151.3172.5-69.5169.5000109.5W14 M39 I49 C53 W54 V76 M79L10-W14 HydrophobicContact CB-CZ3 4.1Å; L10-W14 HydrophobicContact CD1-CH2 4.24Å; L10-W14 HydrophobicContact CD2-CH2 4.38Å; L10-W14 HydrophobicContact CD2-CZ3 4.5Å; L10-M39 HydrophobicContact CD1-CE 3.77Å; L10-M39 HydrophobicContact CD1-SD 3.99Å; L10-I49 HydrophobicContact CD1-CD1 3.91Å; L10-C53 PolarHBondContact N-O 3.21Å; L10-W54 VanDerWaalsContact O-CA 3.27Å; L10-W54 WeakPolarHBondContact O-CA 3.45Å; L10-W54 WeakPolarHBondContact O-CB 3.38Å; L10-V76 HydrophobicContact CD1-CG2 3.87Å; L10-V76 HydrophobicContact CD2-CB 4.11Å; L10-V76 HydrophobicContact CD2-CG2 3.81Å; L10-V76 HydrophobicContact CG-CB 4.48Å; L10-V76 HydrophobicContact CG-CG2 3.65Å; L10-M79 HydrophobicContact CD2-CG 3.72Å; L10-M79 HydrophobicContact CD2-SD 4.37Å
11P98.1Very high97.6Very high5 Ų542.6 Ų42.63%0.03220%0.196CC..  trans-56.5145.7163.1-17.328.1000109.4E13 W14 L95 L96 D99P11-E13 PolarHBondContact O-N 2.93Å; P11-W14 HydrophobicContact CB-CE3 4.18Å; P11-W14 HydrophobicContact CG-CE3 4.36Å; P11-W14 VanDerWaalsContact O-CZ3 3.24Å; P11-W14 WeakPolarHBondContact O-CZ3 3.35Å; P11-L95 HydrophobicContact CG-CD2 4.22Å; P11-L96 HydrophobicContact CG-CD2 3.71Å; P11-D99 WeakPolarHBondContact CA-OD2 3.33Å; P11-D99 HydrophobicContact CB-CB 4.19Å; P11-D99 HydrophobicContact CG-CB 3.87Å
12K96.4Very high97.8Very high112 Ų11242.9 Ų42.949%0.48722%0.215SC..SBendtrans-61-37.9175.3-175-178173.3-175.30111.4H31 W54K12-H31 PolarHBondContact O-NE2 2.98Å; K12-W54 HydrophobicContact CB-CB 4.24Å; K12-W54 HydrophobicContact CB-CG 4.17Å; K12-W54 HydrophobicContact CG-CG 4.22Å
13E96.2Very high97.8Very high143 Ų14344 Ų4467%0.66822%0.219SC*.  trans-140.8146.7-179.1-65176.6-17300109.5P11P11-E13 PolarHBondContact O-N 2.93Å
14W97.1Very high97.7Very high26 Ų2648 Ų4810%0.09824%0.24CC..  trans-145160.2168.158.488.7000109.5L10 P11 V27 L29 M79 L95L10-W14 HydrophobicContact CB-CZ3 4.1Å; L10-W14 HydrophobicContact CD1-CH2 4.24Å; L10-W14 HydrophobicContact CD2-CH2 4.38Å; L10-W14 HydrophobicContact CD2-CZ3 4.5Å; P11-W14 HydrophobicContact CB-CE3 4.18Å; P11-W14 HydrophobicContact CG-CE3 4.36Å; P11-W14 VanDerWaalsContact O-CZ3 3.24Å; P11-W14 WeakPolarHBondContact O-CZ3 3.35Å; W14-V27 HydrophobicContact CZ2-CG1 4.36Å; W14-V27 PolarHBondContact NE1-O 3.09Å; W14-L29 HydrophobicContact CE3-CB 4.47Å; W14-L29 HydrophobicContact CH2-CB 3.44Å; W14-L29 VanDerWaalsContact CH2-CB 3.44Å; W14-L29 HydrophobicContact CH2-CD2 4.2Å; W14-L29 HydrophobicContact CH2-CG 4.33Å; W14-L29 HydrophobicContact CZ2-CB 3.84Å; W14-L29 HydrophobicContact CZ3-CB 3.76Å; W14-L29 HydrophobicContact CZ3-CD2 3.94Å; W14-L29 HydrophobicContact CZ3-CG 4.47Å; W14-M79 HydrophobicContact CH2-CE 4.45Å; W14-M79 HydrophobicContact CZ2-CE 4.01Å; W14-M79 HydrophobicContact CZ2-SD 4.38Å; W14-L95 HydrophobicContact CB-CD1 4.31Å; W14-L95 HydrophobicContact CB-CD2 4.11Å
15P96.9Very high97.6Very high55 Ų5548.6 Ų48.636%0.35725%0.246SC..  trans-59.4155.9179.6-23.534.5000112.6L17 Q28 L95P15-L17 WeakPolarHBondContact O-CD2 3.35Å; P15-L17 WeakPolarHBondContact O-CG 3.43Å; P15-L17 PolarHBondContact O-N 2.97Å; P15-Q28 PolarHBondContact O-NE2 3.4Å; P15-L95 HydrophobicContact CG-CD1 4.27Å
16D96.1Very high97.5Very high60 Ų6049 Ų4932%0.32125%0.248SC..  trans-60.3106.4167.8-177.1-27.8000109.2K18 Q19 R20D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.28Å; D16-K18 WeakPolarHBondContact OD1-CA 3.38Å; D16-K18 VanDerWaalsContact OD1-CB 3.31Å; D16-K18 WeakPolarHBondContact OD1-CB 3.28Å; D16-K18 PolarHBondContact OD1-N 3.31Å; D16-Q19 HydrophobicContact CB-CB 4.09Å; D16-Q19 HydrophobicContact CB-CG 4.11Å; D16-Q19 PolarHBondContact O-N 2.73Å; D16-Q19 PolarHBondContact OD1-N 2.75Å; D16-Q19 WeakPolarHBondContact OD2-CG 3.32Å; D16-Q19 PolarHBondContact OD2-NE2 2.82Å; D16-R20 WeakPolarHBondContact O-CB 3.39Å; D16-R20 PolarHBondContact O-N 3.28Å
17L97.4Very high97.3Very high0 Ų049.3 Ų49.30%025%0.25CC..Hα-helixtrans-72.9-26.8-173.7-60.3-179.3000111.3P15 R20 Y21 F26 L92P15-L17 WeakPolarHBondContact O-CD2 3.35Å; P15-L17 WeakPolarHBondContact O-CG 3.43Å; P15-L17 PolarHBondContact O-N 2.97Å; L17-R20 PolarHBondContact O-N 3.43Å; L17-Y21 HydrophobicContact CB-CD2 3.94Å; L17-Y21 HydrophobicContact CB-CE2 3.84Å; L17-Y21 HydrophobicContact CD1-CE2 4.46Å; L17-Y21 HydrophobicContact CD2-CE2 3.69Å; L17-Y21 HydrophobicContact CG-CE2 4.16Å; L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 WeakPolarHBondContact O-CD2 3.48Å; L17-Y21 PolarHBondContact O-N 2.83Å; L17-F26 HydrophobicContact CB-CB 3.63Å; L17-F26 HydrophobicContact CB-CD1 4.12Å; L17-F26 HydrophobicContact CB-CD2 4.1Å; L17-F26 HydrophobicContact CB-CG 3.69Å; L17-F26 HydrophobicContact CD1-CB 3.97Å; L17-F26 HydrophobicContact CD1-CD1 3.95Å; L17-F26 HydrophobicContact CD1-CG 4.19Å; L17-F26 HydrophobicContact CG-CB 4.41Å; L17-L92 HydrophobicContact CD1-CD1 3.81Å; L17-L92 HydrophobicContact CD1-CD2 4.17Å; L17-L92 HydrophobicContact CD2-CD1 4.23Å
18K96.3Very high97.1Very high106 Ų10650.9 Ų50.946%0.46126%0.257SS..Hα-helixtrans-65.4-45.9172.2174.2-172.4-179.5149.60110D16 G22 Y23 D24D16-K18 VanDerWaalsContact C-N 3.3Å; D16-K18 PolarHBondContact O-N 3.28Å; D16-K18 WeakPolarHBondContact OD1-CA 3.38Å; D16-K18 VanDerWaalsContact OD1-CB 3.31Å; D16-K18 WeakPolarHBondContact OD1-CB 3.28Å; D16-K18 PolarHBondContact OD1-N 3.31Å; K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.42Å; K18-G22 PolarHBondContact O-N 2.95Å; K18-Y23 WeakPolarHBondContact CA-O 3.41Å; K18-Y23 PolarHBondContact O-N 3.41Å; K18-D24 WeakPolarHBondContact CD-OD1 3.48Å; K18-D24 WeakPolarHBondContact CE-OD1 3.17Å; K18-D24 IonicContact NZ-OD1 2.93Å; K18-D24 PolarHBondContact NZ-OD1 3.13Å; K18-D24 IonicContact NZ-OD2 2.98Å
19Q97.1Very high96.9Very high154 Ų15451.8 Ų51.872%0.7226%0.262SS*.Hα-helixtrans-66.7-39.9175.9-68.2179.237.600111.8D16D16-Q19 HydrophobicContact CB-CB 4.09Å; D16-Q19 HydrophobicContact CB-CG 4.11Å; D16-Q19 PolarHBondContact O-N 2.73Å; D16-Q19 PolarHBondContact OD1-N 2.75Å; D16-Q19 WeakPolarHBondContact OD2-CG 3.32Å; D16-Q19 PolarHBondContact OD2-NE2 2.82Å
20R98Very high96.7Very high119 Ų11956.3 Ų56.345%0.44928%0.283SS..Hα-helixtrans-65.5-41.8-178.6-169.6176178.7110.1-4113D16 L17 D91D16-R20 WeakPolarHBondContact O-CB 3.39Å; D16-R20 PolarHBondContact O-N 3.28Å; L17-R20 PolarHBondContact O-N 3.43Å; R20-D91 IonicContact CZ-OD1 3.67Å; R20-D91 IonicContact CZ-OD2 3.54Å; R20-D91 VanDerWaalsContact CZ-OD2 3.23Å; R20-D91 IonicContact NE-OD1 3.71Å; R20-D91 IonicContact NE-OD2 3.42Å; R20-D91 PolarHBondContact NE-OD2 3.44Å; R20-D91 VanDerWaalsContact NH2-CG 3.28Å; R20-D91 IonicContact NH2-OD1 3.47Å; R20-D91 PolarHBondContact NH2-OD1 2.79Å; R20-D91 IonicContact NH2-OD2 3.95Å; R20-D91 PolarHBondContact NH2-OD2 2.84Å
21Y98.1Very high96.4Very high23 Ų2359.6 Ų59.69%0.0930%0.298CS..Hα-helixtrans-105.5-14.1-173.7-52.4-47.6000113.9L17 Y23 F26 D88 D91 L92L17-Y21 HydrophobicContact CB-CD2 3.94Å; L17-Y21 HydrophobicContact CB-CE2 3.84Å; L17-Y21 HydrophobicContact CD1-CE2 4.46Å; L17-Y21 HydrophobicContact CD2-CE2 3.69Å; L17-Y21 HydrophobicContact CG-CE2 4.16Å; L17-Y21 WeakPolarHBondContact O-CB 3.44Å; L17-Y21 WeakPolarHBondContact O-CD2 3.48Å; L17-Y21 PolarHBondContact O-N 2.83Å; Y21-Y23 WeakPolarHBondContact O-CD1 3.12Å; Y21-Y23 WeakPolarHBondContact O-CE1 3.32Å; Y21-F26 HydrophobicContact CD2-CD1 4.35Å; Y21-F26 HydrophobicContact CD2-CD2 4.18Å; Y21-F26 AromaticContact CD2-CE1 3.79Å; Y21-F26 HydrophobicContact CD2-CE1 3.79Å; Y21-F26 AromaticContact CD2-CE2 3.58Å; Y21-F26 HydrophobicContact CD2-CE2 3.58Å; Y21-F26 AromaticContact CD2-CZ 3.35Å; Y21-F26 HydrophobicContact CD2-CZ 3.35Å; Y21-F26 HydrophobicContact CE2-CD1 4.42Å; Y21-F26 AromaticContact CE2-CE1 3.94Å; Y21-F26 HydrophobicContact CE2-CE1 3.94Å; Y21-F26 AromaticContact CE2-CZ 3.98Å; Y21-F26 HydrophobicContact CE2-CZ 3.98Å; Y21-F26 HydrophobicContact CG-CE2 4.32Å; Y21-F26 HydrophobicContact CG-CZ 4.19Å; Y21-D88 HydrophobicContact CD1-CB 3.64Å; Y21-D88 HydrophobicContact CD2-CB 4.29Å; Y21-D88 HydrophobicContact CE1-CB 3.96Å; Y21-D88 HydrophobicContact CG-CB 3.84Å; Y21-D88 PolarHBondContact OH-O 2.96Å; Y21-D91 HydrophobicContact CE1-CB 4.26Å; Y21-D91 VanDerWaalsContact CE1-OD2 3.27Å; Y21-D91 WeakPolarHBondContact CE1-OD2 3.01Å; Y21-D91 PolarHBondContact OH-OD2 3.43Å; Y21-L92 PolarHBondContact OH-N 2.87Å
22G98.1Very high95.8Very high67 Ų6764.2 Ų64.269%0.69132%0.319SS*.SBendtrans82.817.9174.600000115.2K18K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.42Å; K18-G22 PolarHBondContact O-N 2.95Å
23Y98.1Very high95.4Very high47 Ų4761.6 Ų61.618%0.18431%0.314CS..SBendtrans-153.9162.1176.958.3-87.1000112.8K18 Y21 F26 W83 A84 K85 D88K18-Y23 WeakPolarHBondContact CA-O 3.41Å; K18-Y23 PolarHBondContact O-N 3.41Å; Y21-Y23 WeakPolarHBondContact O-CD1 3.12Å; Y21-Y23 WeakPolarHBondContact O-CE1 3.32Å; Y23-F26 AromaticContact CD2-CE2 3.73Å; Y23-F26 HydrophobicContact CD2-CE2 3.73Å; Y23-F26 HydrophobicContact CD2-CZ 4.4Å; Y23-F26 HydrophobicContact CE1-CE2 4.49Å; Y23-F26 HydrophobicContact CE2-CD2 4.45Å; Y23-F26 AromaticContact CE2-CE2 3.28Å; Y23-F26 HydrophobicContact CE2-CE2 3.28Å; Y23-F26 AromaticContact CE2-CZ 3.51Å; Y23-F26 HydrophobicContact CE2-CZ 3.51Å; Y23-F26 HydrophobicContact CG-CE2 4.48Å; Y23-F26 AromaticContact CZ-CE2 3.73Å; Y23-F26 AromaticContact CZ-CZ 3.69Å; Y23-W83 HydrophobicContact CD2-CH2 4.29Å; Y23-W83 AromaticContact CD2-CZ3 4Å; Y23-W83 HydrophobicContact CD2-CZ3 4Å; Y23-W83 AromaticContact CE2-CH2 3.9Å; Y23-W83 HydrophobicContact CE2-CH2 3.9Å; Y23-W83 AromaticContact CE2-CZ3 3.61Å; Y23-W83 HydrophobicContact CE2-CZ3 3.61Å; Y23-A84 HydrophobicContact CE2-CB 4.29Å; Y23-A84 WeakPolarHBondContact OH-CB 3.32Å; Y23-K85 HydrophobicContact CE1-CD 4.17Å; Y23-K85 HydrophobicContact CE1-CG 4.36Å; Y23-K85 PolarHBondContact OH-N 3.19Å; Y23-D88 VanDerWaalsContact CE1-OD2 3.31Å; Y23-D88 WeakPolarHBondContact CE1-OD2 3.4Å; Y23-D88 PolarHBondContact OH-OD2 3.2Å; Y23-D88 VanDerWaalsContact OH-OD2 3.09Å
24D96.9Very high95.1Very high86 Ų8664.7 Ų64.746%0.4633%0.325SS..SBendtrans-79.2175.3-176.6-68.1-48.6000113.4K18 W83K18-D24 WeakPolarHBondContact CD-OD1 3.48Å; K18-D24 WeakPolarHBondContact CE-OD1 3.17Å; K18-D24 IonicContact NZ-OD1 2.93Å; K18-D24 PolarHBondContact NZ-OD1 3.13Å; K18-D24 IonicContact NZ-OD2 2.98Å; D24-W83 VanDerWaalsContact O-CH2 3.26Å; D24-W83 WeakPolarHBondContact O-CH2 3.44Å
25G95.4Very high94.8Very high12 Ų1264.4 Ų64.412%0.12433%0.33CS..  trans108-7.2173.500000114.9K41 D42 W83G25-K41 WeakPolarHBondContact O-CE 3.27Å; G25-D42 WeakPolarHBondContact CA-OD1 3.47Å; G25-D42 WeakPolarHBondContact CA-OD2 3.16Å; G25-D42 PolarHBondContact N-OD1 3.11Å; G25-D42 PolarHBondContact N-OD2 3.46Å; G25-W83 WeakPolarHBondContact O-CZ2 3.05Å
26F97Very high94.7Very high10 Ų1065.5 Ų65.54%0.04433%0.331CS..  trans-89.2151.2-178-64.2-81.7000112.9L17 Y21 Y23 W83 A84L17-F26 HydrophobicContact CB-CB 3.63Å; L17-F26 HydrophobicContact CB-CD1 4.12Å; L17-F26 HydrophobicContact CB-CD2 4.1Å; L17-F26 HydrophobicContact CB-CG 3.69Å; L17-F26 HydrophobicContact CD1-CB 3.97Å; L17-F26 HydrophobicContact CD1-CD1 3.95Å; L17-F26 HydrophobicContact CD1-CG 4.19Å; L17-F26 HydrophobicContact CG-CB 4.41Å; Y21-F26 HydrophobicContact CD2-CD1 4.35Å; Y21-F26 HydrophobicContact CD2-CD2 4.18Å; Y21-F26 AromaticContact CD2-CE1 3.79Å; Y21-F26 HydrophobicContact CD2-CE1 3.79Å; Y21-F26 AromaticContact CD2-CE2 3.58Å; Y21-F26 HydrophobicContact CD2-CE2 3.58Å; Y21-F26 AromaticContact CD2-CZ 3.35Å; Y21-F26 HydrophobicContact CD2-CZ 3.35Å; Y21-F26 HydrophobicContact CE2-CD1 4.42Å; Y21-F26 AromaticContact CE2-CE1 3.94Å; Y21-F26 HydrophobicContact CE2-CE1 3.94Å; Y21-F26 AromaticContact CE2-CZ 3.98Å; Y21-F26 HydrophobicContact CE2-CZ 3.98Å; Y21-F26 HydrophobicContact CG-CE2 4.32Å; Y21-F26 HydrophobicContact CG-CZ 4.19Å; Y23-F26 AromaticContact CD2-CE2 3.73Å; Y23-F26 HydrophobicContact CD2-CE2 3.73Å; Y23-F26 HydrophobicContact CD2-CZ 4.4Å; Y23-F26 HydrophobicContact CE1-CE2 4.49Å; Y23-F26 HydrophobicContact CE2-CD2 4.45Å; Y23-F26 AromaticContact CE2-CE2 3.28Å; Y23-F26 HydrophobicContact CE2-CE2 3.28Å; Y23-F26 AromaticContact CE2-CZ 3.51Å; Y23-F26 HydrophobicContact CE2-CZ 3.51Å; Y23-F26 HydrophobicContact CG-CE2 4.48Å; Y23-F26 AromaticContact CZ-CE2 3.73Å; Y23-F26 AromaticContact CZ-CZ 3.69Å; F26-W83 HydrophobicContact CD1-CH2 4.33Å; F26-W83 HydrophobicContact CD1-CZ2 4.12Å; F26-W83 HydrophobicContact CD2-CH2 4.04Å; F26-W83 HydrophobicContact CE1-CH2 4.15Å; F26-W83 HydrophobicContact CE1-CZ2 4.12Å; F26-W83 AromaticContact CE2-CH2 3.84Å; F26-W83 HydrophobicContact CE2-CH2 3.84Å; F26-W83 HydrophobicContact CG-CH2 4.29Å; F26-W83 HydrophobicContact CG-CZ2 4.34Å; F26-W83 AromaticContact CZ-CH2 3.9Å; F26-W83 HydrophobicContact CZ-CH2 3.9Å; F26-W83 HydrophobicContact CZ-CZ2 4.35Å; F26-A84 HydrophobicContact CE1-CB 4.12Å; F26-A84 HydrophobicContact CZ-CB 3.95Å
27V96.2Very high94.7Very high6 Ų662.7 Ų62.74%0.03632%0.316CS..EExtended strand (participates in β ladder)trans-82.8141.9173.4179.10000110.5W14 M39 M40 K41 V78 M79W14-V27 HydrophobicContact CZ2-CG1 4.36Å; W14-V27 PolarHBondContact NE1-O 3.09Å; V27-M39 HydrophobicContact CG1-CB 4.12Å; V27-M39 HydrophobicContact CG1-CE 3.97Å; V27-M40 CarbonylContact C-O 3.42Å; V27-M40 VanDerWaalsContact CA-O 3.27Å; V27-M40 WeakPolarHBondContact CA-O 3.45Å; V27-K41 HydrophobicContact CG2-CB 4.28Å; V27-K41 HydrophobicContact CG2-CD 4.49Å; V27-K41 HydrophobicContact CG2-CG 4.47Å; V27-V78 HydrophobicContact CG2-CB 4.42Å; V27-V78 HydrophobicContact CG2-CG1 4Å; V27-V78 HydrophobicContact CG2-CG2 3.55Å; V27-M79 HydrophobicContact CB-SD 3.9Å; V27-M79 HydrophobicContact CG1-SD 4.32Å
28Q93.9Very high94.7Very high34 Ų3464.3 Ų64.316%0.15932%0.324CS..EExtended strand (participates in β ladder)trans-125.6148.5172.4-68.8-60.7-4100110P15 M40P15-Q28 PolarHBondContact O-NE2 3.4Å; Q28-M40 PolarHBondContact N-O 3.29Å; Q28-M40 PolarHBondContact O-N 2.88Å
29L94.5Very high94.7Very high19 Ų1959.2 Ų59.210%0.09930%0.302CS..EExtended strand (participates in β ladder)trans-107.7118.6178.6-170.861.5000111.2W14 A37 M39 I49 W54W14-L29 HydrophobicContact CE3-CB 4.47Å; W14-L29 HydrophobicContact CH2-CB 3.44Å; W14-L29 VanDerWaalsContact CH2-CB 3.44Å; W14-L29 HydrophobicContact CH2-CD2 4.2Å; W14-L29 HydrophobicContact CH2-CG 4.33Å; W14-L29 HydrophobicContact CZ2-CB 3.84Å; W14-L29 HydrophobicContact CZ3-CB 3.76Å; W14-L29 HydrophobicContact CZ3-CD2 3.94Å; W14-L29 HydrophobicContact CZ3-CG 4.47Å; L29-A37 HydrophobicContact CD1-CB 3.49Å; L29-A37 VanDerWaalsContact CD1-CB 3.49Å; L29-A37 HydrophobicContact CD2-CB 4.32Å; L29-A37 HydrophobicContact CG-CB 3.82Å; L29-M39 HydrophobicContact CD1-CG 3.98Å; L29-I49 HydrophobicContact CD1-CD1 3.47Å; L29-I49 VanDerWaalsContact CD1-CD1 3.47Å; L29-I49 HydrophobicContact CD1-CG1 3.93Å; L29-I49 HydrophobicContact CD2-CD1 4.2Å; L29-W54 HydrophobicContact CD2-CE3 4.32Å
30H94Very high94.6Very high97 Ų9753.4 Ų53.445%0.44928%0.276SS..EExtended strand (participates in β ladder)trans-110.4104.1-177.7-66.3-170.3000110.6H32 A37 N38 M40H30-H32 PolarHBondContact O-N 3.08Å; H30-H32 PolarHBondContact O-ND1 3.44Å; H30-A37 CarbonylContact O-C 3.59Å; H30-A37 WeakPolarHBondContact O-CA 3.47Å; H30-N38 HydrophobicContact CB-CB 4.37Å; H30-N38 PolarHBondContact N-O 3.09Å; H30-N38 PolarHBondContact O-N 3.09Å; H30-M40 HydrophobicContact CB-CG 4.38Å
31H92.7Very high94.4Very high71 Ų7151.4 Ų51.433%0.32927%0.27SS..EExtended strand (participates in β ladder)trans-74.9104.7172.8-62.7-91.6000109.3K12 W54K12-H31 PolarHBondContact O-NE2 2.98Å; H31-W54 AromaticContact CE1-CE2 3.68Å; H31-W54 AromaticContact CE1-CZ2 3.77Å; H31-W54 AromaticContact ND1-CZ2 3.81Å
32H85.8Confident94.1Very high101 Ų10154.5 Ų54.547%0.46829%0.288SS..EExtended strand (participates in β ladder)trans-106.7-18.8-174.262-80.5000112.9H30 N38H30-H32 PolarHBondContact O-N 3.08Å; H30-H32 PolarHBondContact O-ND1 3.44Å; H32-N38 PolarHBondContact CE1-OD1 3.48Å; H32-N38 PolarHBondContact ND1-ND2 2.78Å
33C87.3Confident93.6Very high57 Ų5754.6 Ų54.639%0.38529%0.289SS..EExtended strand (participates in β ladder)trans-148.9175.2172.972.60000110.3G35 E36C33-G35 PolarHBondContact O-N 3.16Å; C33-E36 VanDerWaalsContact SG-CB 3.53Å; C33-E36 PolarHBondContact SG-OE2 3.17Å; C33-E36 VanDerWaalsContact SG-OE2 3.32Å
34K89.8Confident93.4Very high208 Ų20860.1 Ų60.190%0.90431%0.314SS*.THydrogen-bonded Turntrans-71.1116.1-179.1-175.7-178.2177.9-176.50110
35G91.6Very high93.3Very high20 Ų2060.7 Ų60.721%0.20632%0.317CS..THydrogen-bonded Turntrans874.4173.100000115C33 Q50 E51C33-G35 PolarHBondContact O-N 3.16Å; G35-Q50 CarbonylContact O-C 3.48Å; G35-Q50 VanDerWaalsContact O-CA 3.3Å; G35-Q50 WeakPolarHBondContact O-CA 3.4Å; G35-E51 PolarHBondContact O-N 3.2Å
36E95.1Very high93.1Very high79 Ų7963.1 Ų63.137%0.36932%0.324SS..EExtended strand (participates in β ladder)trans-134.6148.1173.5-46.3-177128.100111.4C33 I49C33-E36 VanDerWaalsContact SG-CB 3.53Å; C33-E36 PolarHBondContact SG-OE2 3.17Å; C33-E36 VanDerWaalsContact SG-OE2 3.32Å; E36-I49 CarbonylContact C-O 3.56Å; E36-I49 WeakPolarHBondContact CA-O 3.3Å
37A96.3Very high93Very high0 Ų064.5 Ų64.50%033%0.329CS..EExtended strand (participates in β ladder)trans-144.2149.6178.800000111.5L29 H30 I49 W54L29-A37 HydrophobicContact CD1-CB 3.49Å; L29-A37 VanDerWaalsContact CD1-CB 3.49Å; L29-A37 HydrophobicContact CD2-CB 4.32Å; L29-A37 HydrophobicContact CG-CB 3.82Å; H30-A37 CarbonylContact O-C 3.59Å; H30-A37 WeakPolarHBondContact O-CA 3.47Å; A37-I49 HydrophobicContact CB-CG1 4.27Å; A37-I49 PolarHBondContact N-O 3.1Å; A37-I49 WeakPolarHBondContact O-CG1 3.34Å; A37-I49 PolarHBondContact O-N 3.34Å; A37-W54 HydrophobicContact CB-CH2 3.58Å; A37-W54 HydrophobicContact CB-CZ2 4.34Å; A37-W54 HydrophobicContact CB-CZ3 3.78Å
38N96.7Very high93Very high34 Ų3467.2 Ų67.218%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-98.7120.8177.6-71.5-20.2000109.5H30 H32 M40 L45H30-N38 HydrophobicContact CB-CB 4.37Å; H30-N38 PolarHBondContact N-O 3.09Å; H30-N38 PolarHBondContact O-N 3.09Å; H32-N38 PolarHBondContact CE1-OD1 3.48Å; H32-N38 PolarHBondContact ND1-ND2 2.78Å; N38-M40 HydrophobicContact CB-CG 4.19Å; N38-M40 HydrophobicContact CB-SD 3.83Å; N38-M40 PolarHBondContact O-N 3.09Å; N38-L45 HydrophobicContact CB-CD1 3.65Å
39M95.8Very high93.1Very high0 Ų065.7 Ų65.70%034%0.338CS..EExtended strand (participates in β ladder)trans-76.4113.7163.6-61.5-179.771.900108L10 V27 L29 F46 R47 I49 V76 V78L10-M39 HydrophobicContact CD1-CE 3.77Å; L10-M39 HydrophobicContact CD1-SD 3.99Å; V27-M39 HydrophobicContact CG1-CB 4.12Å; V27-M39 HydrophobicContact CG1-CE 3.97Å; L29-M39 HydrophobicContact CD1-CG 3.98Å; M39-F46 HydrophobicContact CB-CB 4.47Å; M39-F46 HydrophobicContact CB-CD1 4.23Å; M39-F46 HydrophobicContact CE-CD1 4.32Å; M39-F46 WeakPolarHBondContact O-CA 3.36Å; M39-F46 WeakPolarHBondContact O-CB 3.33Å; M39-F46 PolarHBondContact O-N 2.85Å; M39-F46 HydrophobicContact SD-CD1 4.45Å; M39-R47 HydrophobicContact CB-CB 4.29Å; M39-R47 WeakPolarHBondContact CB-O 3.42Å; M39-R47 PolarHBondContact N-O 3.07Å; M39-R47 PolarHBondContact O-N 3.49Å; M39-R47 HydrophobicContact SD-CB 4.08Å; M39-I49 HydrophobicContact CG-CD1 3.91Å; M39-I49 HydrophobicContact CG-CG1 4.06Å; M39-I49 HydrophobicContact CG-CG2 4.26Å; M39-I49 HydrophobicContact SD-CD1 4.23Å; M39-I49 HydrophobicContact SD-CG2 3.8Å; M39-V76 HydrophobicContact CE-CG1 4.28Å; M39-V78 HydrophobicContact CE-CG1 3.55Å
40M95.8Very high93.2Very high32 Ų3268.6 Ų68.616%0.15835%0.351CS..EExtended strand (participates in β ladder)trans-110.3136.3-177.7-58.7-60.6-66.300109.7V27 Q28 H30 N38 G43 K44 L45V27-M40 CarbonylContact C-O 3.42Å; V27-M40 VanDerWaalsContact CA-O 3.27Å; V27-M40 WeakPolarHBondContact CA-O 3.45Å; Q28-M40 PolarHBondContact N-O 3.29Å; Q28-M40 PolarHBondContact O-N 2.88Å; H30-M40 HydrophobicContact CB-CG 4.38Å; N38-M40 HydrophobicContact CB-CG 4.19Å; N38-M40 HydrophobicContact CB-SD 3.83Å; N38-M40 PolarHBondContact O-N 3.09Å; M40-G43 WeakPolarHBondContact CE-O 3.29Å; M40-K44 CarbonylContact C-O 3.53Å; M40-K44 WeakPolarHBondContact CA-O 3.32Å; M40-L45 HydrophobicContact SD-CB 4.09Å; M40-L45 HydrophobicContact SD-CD1 3.83Å
41K94.1Very high93.3Very high76 Ų7668.1 Ų68.133%0.3335%0.349SS..EExtended strand (participates in β ladder)trans-127.7117.6171.2-174177.3174.8170.90108.5G25 V27 G43 K44G25-K41 WeakPolarHBondContact O-CE 3.27Å; V27-K41 HydrophobicContact CG2-CB 4.28Å; V27-K41 HydrophobicContact CG2-CD 4.49Å; V27-K41 HydrophobicContact CG2-CG 4.47Å; K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 3Å; K41-K44 PolarHBondContact N-O 3.49Å; K41-K44 WeakPolarHBondContact O-CB 3.27Å; K41-K44 PolarHBondContact O-N 3.43Å
42D90.6Very high93.5Very high88 Ų8866 Ų6647%0.47134%0.34SS..THydrogen-bonded Turntrans48.945.4-179.8-53.2-38.5000113.5G25 K44G25-D42 WeakPolarHBondContact CA-OD1 3.47Å; G25-D42 WeakPolarHBondContact CA-OD2 3.16Å; G25-D42 PolarHBondContact N-OD1 3.11Å; G25-D42 PolarHBondContact N-OD2 3.46Å; D42-K44 PolarHBondContact O-N 3.21Å
43G89Confident94.1Very high69 Ų6961.2 Ų61.271%0.71132%0.318SS*.THydrogen-bonded Turntrans77-2.8-179.800000115.5M40 K41M40-G43 WeakPolarHBondContact CE-O 3.29Å; K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 3Å
44K92.6Very high94.6Very high164 Ų16459.7 Ų59.771%0.71330%0.304SS*.EExtended strand (participates in β ladder)trans-98.2138.3175.2-63.5179.4-177.9174.50110.9M40 K41 D42 F46M40-K44 CarbonylContact C-O 3.53Å; M40-K44 WeakPolarHBondContact CA-O 3.32Å; K41-K44 PolarHBondContact N-O 3.49Å; K41-K44 WeakPolarHBondContact O-CB 3.27Å; K41-K44 PolarHBondContact O-N 3.43Å; D42-K44 PolarHBondContact O-N 3.21Å; K44-F46 PolarHBondContact O-N 3.26Å
45L94.6Very high95Very high98 Ų9852.7 Ų52.751%0.51328%0.277SS..EExtended strand (participates in β ladder)trans-67.3118.1171.4179.565.1000109.1N38 M40 V48N38-L45 HydrophobicContact CB-CD1 3.65Å; M40-L45 HydrophobicContact SD-CB 4.09Å; M40-L45 HydrophobicContact SD-CD1 3.83Å; L45-V48 HydrophobicContact CD1-CG2 4.27Å; L45-V48 HydrophobicContact CD2-CG2 4.09Å
46F92.8Very high95.3Very high62 Ų6252.4 Ų52.427%0.27227%0.273SS..EExtended strand (participates in β ladder)trans-90.5-48.1174.5174.6-103.3000111.2M39 K44 V78 W176 W191M39-F46 HydrophobicContact CB-CB 4.47Å; M39-F46 HydrophobicContact CB-CD1 4.23Å; M39-F46 HydrophobicContact CE-CD1 4.32Å; M39-F46 WeakPolarHBondContact O-CA 3.36Å; M39-F46 WeakPolarHBondContact O-CB 3.33Å; M39-F46 PolarHBondContact O-N 2.85Å; M39-F46 HydrophobicContact SD-CD1 4.45Å; K44-F46 PolarHBondContact O-N 3.26Å; F46-V78 HydrophobicContact CE1-CB 4.14Å; F46-V78 HydrophobicContact CE1-CG1 4.13Å; F46-V78 HydrophobicContact CE1-CG2 4.22Å; F46-V78 HydrophobicContact CE2-CG2 4.49Å; F46-V78 HydrophobicContact CZ-CB 4.27Å; F46-V78 HydrophobicContact CZ-CG2 4.21Å; F46-W176 HydrophobicContact CE2-CH2 4.06Å; F46-W176 AromaticContact CZ-CH2 3.64Å; F46-W176 HydrophobicContact CZ-CH2 3.64Å; F46-W176 HydrophobicContact CZ-CZ3 4.38Å; F46-W191 HydrophobicContact CZ-CZ2 4.48Å
47R93.8Very high95.5Very high40 Ų4053 Ų5315%0.15128%0.278CS..EExtended strand (participates in β ladder)trans-157.7145.4-178.2-174.4173.1-68.1-148.5-4.9111.1M39 I49M39-R47 HydrophobicContact CB-CB 4.29Å; M39-R47 WeakPolarHBondContact CB-O 3.42Å; M39-R47 PolarHBondContact N-O 3.07Å; M39-R47 PolarHBondContact O-N 3.49Å; M39-R47 HydrophobicContact SD-CB 4.08Å; R47-I49 HydrophobicContact CG-CG2 3.95Å
48V95.6Very high95.5Very high63 Ų6353.4 Ų53.438%0.38228%0.281SS..EExtended strand (participates in β ladder)trans-93.4131.3164.8-174.90000107.9L45L45-V48 HydrophobicContact CD1-CG2 4.27Å; L45-V48 HydrophobicContact CD2-CG2 4.09Å
49I96.6Very high95.6Very high2 Ų251.8 Ų51.81%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-127.3152.2179.953.2163.3000110.7L10 L29 E36 A37 M39 R47 C53 W54 F294L10-I49 HydrophobicContact CD1-CD1 3.91Å; L29-I49 HydrophobicContact CD1-CD1 3.47Å; L29-I49 VanDerWaalsContact CD1-CD1 3.47Å; L29-I49 HydrophobicContact CD1-CG1 3.93Å; L29-I49 HydrophobicContact CD2-CD1 4.2Å; E36-I49 CarbonylContact C-O 3.56Å; E36-I49 WeakPolarHBondContact CA-O 3.3Å; A37-I49 HydrophobicContact CB-CG1 4.27Å; A37-I49 PolarHBondContact N-O 3.1Å; A37-I49 WeakPolarHBondContact O-CG1 3.34Å; A37-I49 PolarHBondContact O-N 3.34Å; M39-I49 HydrophobicContact CG-CD1 3.91Å; M39-I49 HydrophobicContact CG-CG1 4.06Å; M39-I49 HydrophobicContact CG-CG2 4.26Å; M39-I49 HydrophobicContact SD-CD1 4.23Å; M39-I49 HydrophobicContact SD-CG2 3.8Å; R47-I49 HydrophobicContact CG-CG2 3.95Å; I49-C53 HydrophobicContact CB-CB 3.95Å; I49-C53 HydrophobicContact CD1-CB 3.93Å; I49-C53 HydrophobicContact CG1-CB 4.49Å; I49-C53 HydrophobicContact CG2-CB 4.45Å; I49-W54 HydrophobicContact CB-CZ3 4.23Å; I49-W54 HydrophobicContact CD1-CE3 3.72Å; I49-W54 HydrophobicContact CD1-CZ3 3.58Å; I49-W54 HydrophobicContact CG1-CE3 4.31Å; I49-W54 HydrophobicContact CG1-CZ3 3.64Å; I49-F294 HydrophobicContact CG2-CE1 4.21Å
50Q96.8Very high95.7Very high80 Ų8052.8 Ų52.837%0.37428%0.278SS..EExtended strand (participates in β ladder)trans-102.2169.9179.3-6375.328.800111.4G35 N52 C53 W54G35-Q50 CarbonylContact O-C 3.48Å; G35-Q50 VanDerWaalsContact O-CA 3.3Å; G35-Q50 WeakPolarHBondContact O-CA 3.4Å; Q50-N52 PolarHBondContact O-N 3.37Å; Q50-N52 PolarHBondContact O-OD1 2.96Å; Q50-C53 VanDerWaalsContact O-CB 3.24Å; Q50-C53 WeakPolarHBondContact O-CB 3.35Å; Q50-C53 PolarHBondContact O-N 3.47Å; Q50-W54 WeakPolarHBondContact O-CH2 3.41Å; Q50-W54 WeakPolarHBondContact O-CZ3 3.44Å
51E96.9Very high95.9Very high87 Ų8758.1 Ų58.141%0.40730%0.3SS..G310 helixtrans-51.5-30.9-176.759.9178.3-158.500114.6G35 C53 W54 D55 A58G35-E51 PolarHBondContact O-N 3.2Å; E51-C53 PolarHBondContact O-N 3.12Å; E51-C53 VanDerWaalsContact O-N 3.09Å; E51-W54 VanDerWaalsContact CA-CZ2 3.43Å; E51-W54 HydrophobicContact CB-CZ2 4.07Å; E51-W54 PolarHBondContact O-N 3.42Å; E51-W54 VanDerWaalsContact O-N 3.09Å; E51-D55 VanDerWaalsContact O-CB 3.32Å; E51-D55 WeakPolarHBondContact O-CB 3.3Å; E51-D55 PolarHBondContact O-N 3.32Å; E51-A58 HydrophobicContact CG-CB 3.96Å
52N97.2Very high96.1Very high27 Ų2756.7 Ų56.714%0.14430%0.296CS..G310 helixtrans-65.3-9.7175.864.1-0000114.7Q50 A58 R59 Y292 P293Q50-N52 PolarHBondContact O-N 3.37Å; Q50-N52 PolarHBondContact O-OD1 2.96Å; N52-A58 HydrophobicContact CB-CB 4.48Å; N52-R59 HydrophobicContact CB-CG 4.42Å; N52-R59 WeakPolarHBondContact O-CD 3.38Å; N52-R59 WeakPolarHBondContact O-CG 3.26Å; N52-R59 PolarHBondContact O-NH1 2.74Å; N52-Y292 HydrophobicContact CB-CE1 4.45Å; N52-Y292 WeakPolarHBondContact CB-OH 3.27Å; N52-P293 WeakPolarHBondContact OD1-CB 3.45Å
53C97.8Very high96.5Very high0 Ų052.6 Ų52.60%027%0.274CS..G310 helixtrans-83.3-10.8174-1590000113.1I9 L10 I49 Q50 E51 P293I9-C53 CarbonylContact C-O 3.43Å; I9-C53 WeakPolarHBondContact CA-O 3.39Å; I9-C53 WeakPolarHBondContact CG1-O 3.25Å; L10-C53 PolarHBondContact N-O 3.21Å; I49-C53 HydrophobicContact CB-CB 3.95Å; I49-C53 HydrophobicContact CD1-CB 3.93Å; I49-C53 HydrophobicContact CG1-CB 4.49Å; I49-C53 HydrophobicContact CG2-CB 4.45Å; Q50-C53 VanDerWaalsContact O-CB 3.24Å; Q50-C53 WeakPolarHBondContact O-CB 3.35Å; Q50-C53 PolarHBondContact O-N 3.47Å; E51-C53 PolarHBondContact O-N 3.12Å; E51-C53 VanDerWaalsContact O-N 3.09Å; C53-P293 HydrophobicContact CB-CG 3.9Å
54W97.6Very high96.9Very high25 Ų2554 Ų5410%0.09527%0.265CS..THydrogen-bonded Turntrans-141.4-21.9177.159.980.6000115.3L10 K12 L29 H31 A37 I49 Q50 E51L10-W54 VanDerWaalsContact O-CA 3.27Å; L10-W54 WeakPolarHBondContact O-CA 3.45Å; L10-W54 WeakPolarHBondContact O-CB 3.38Å; K12-W54 HydrophobicContact CB-CB 4.24Å; K12-W54 HydrophobicContact CB-CG 4.17Å; K12-W54 HydrophobicContact CG-CG 4.22Å; L29-W54 HydrophobicContact CD2-CE3 4.32Å; H31-W54 AromaticContact CE1-CE2 3.68Å; H31-W54 AromaticContact CE1-CZ2 3.77Å; H31-W54 AromaticContact ND1-CZ2 3.81Å; A37-W54 HydrophobicContact CB-CH2 3.58Å; A37-W54 HydrophobicContact CB-CZ2 4.34Å; A37-W54 HydrophobicContact CB-CZ3 3.78Å; I49-W54 HydrophobicContact CB-CZ3 4.23Å; I49-W54 HydrophobicContact CD1-CE3 3.72Å; I49-W54 HydrophobicContact CD1-CZ3 3.58Å; I49-W54 HydrophobicContact CG1-CE3 4.31Å; I49-W54 HydrophobicContact CG1-CZ3 3.64Å; Q50-W54 WeakPolarHBondContact O-CH2 3.41Å; Q50-W54 WeakPolarHBondContact O-CZ3 3.44Å; E51-W54 VanDerWaalsContact CA-CZ2 3.43Å; E51-W54 HydrophobicContact CB-CZ2 4.07Å; E51-W54 PolarHBondContact O-N 3.42Å; E51-W54 VanDerWaalsContact O-N 3.09Å
55D97.9Very high97.2Very high61 Ų6153 Ų5333%0.32626%0.261SS..  trans-93.7110.7-178.4-170.8-64.1000111.1E51 N57 A58 R59E51-D55 VanDerWaalsContact O-CB 3.32Å; E51-D55 WeakPolarHBondContact O-CB 3.3Å; E51-D55 PolarHBondContact O-N 3.32Å; D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3.4Å; D55-N57 WeakPolarHBondContact OD1-CA 3.49Å; D55-N57 WeakPolarHBondContact OD1-CB 3.35Å; D55-N57 PolarHBondContact OD1-N 2.96Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.38Å; D55-A58 PolarHBondContact OD1-N 3.17Å; D55-R59 WeakPolarHBondContact O-CG 3.19Å; D55-R59 PolarHBondContact O-N 2.93Å; D55-R59 VanDerWaalsContact O-N 3.07Å
56A98.2Very high97.3Very high14 Ų1451.6 Ų51.612%0.11625%0.249CC..Hα-helixtrans-59.7-33.6-179.300000113.6R59 I60 T103 F111A56-R59 PolarHBondContact O-N 3.39Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.3Å; A56-I60 PolarHBondContact O-N 2.83Å; A56-T103 HydrophobicContact CB-CG2 3.99Å; A56-F111 HydrophobicContact CB-CE2 4.11Å
57N98.2Very high97.6Very high91 Ų9150.8 Ų50.849%0.48726%0.258SS..Hα-helixtrans-75.2-36.9179.7-65.9-58.7000111.5D55 R59 I60 K61D55-N57 VanDerWaalsContact C-N 3.27Å; D55-N57 PolarHBondContact O-N 3.4Å; D55-N57 WeakPolarHBondContact OD1-CA 3.49Å; D55-N57 WeakPolarHBondContact OD1-CB 3.35Å; D55-N57 PolarHBondContact OD1-N 2.96Å; N57-R59 VanDerWaalsContact C-N 3.31Å; N57-I60 PolarHBondContact O-N 2.83Å; N57-K61 WeakPolarHBondContact O-CG 3.21Å; N57-K61 PolarHBondContact O-N 2.89Å; N57-K61 VanDerWaalsContact O-N 3.09Å
58A97.8Very high97.8Very high8 Ų849 Ų497%0.06625%0.252CS..Hα-helixtrans-59.5-45170.600000110.6E51 N52 D55 I60 K61 D62E51-A58 HydrophobicContact CG-CB 3.96Å; N52-A58 HydrophobicContact CB-CB 4.48Å; D55-A58 HydrophobicContact CB-CB 3.95Å; D55-A58 PolarHBondContact O-N 3.38Å; D55-A58 PolarHBondContact OD1-N 3.17Å; A58-I60 PolarHBondContact O-N 3Å; A58-K61 PolarHBondContact O-N 2.88Å; A58-D62 PolarHBondContact O-N 3.21Å
59R98.2Very high97.9Very high0 Ų047.8 Ų47.80%025%0.245CC..Hα-helixtrans-59.6-47.1174.3-63.5-17788.1107.1-14.3112.6N7 H8 N52 D55 A56 N57 K61 D62 M63 F111 Y292N7-R59 PolarHBondContact OD1-NH2 2.78Å; H8-R59 VanDerWaalsContact O-CZ 3.27Å; H8-R59 PolarHBondContact O-NH1 3.26Å; H8-R59 PolarHBondContact O-NH2 3.11Å; N52-R59 HydrophobicContact CB-CG 4.42Å; N52-R59 WeakPolarHBondContact O-CD 3.38Å; N52-R59 WeakPolarHBondContact O-CG 3.26Å; N52-R59 PolarHBondContact O-NH1 2.74Å; D55-R59 WeakPolarHBondContact O-CG 3.19Å; D55-R59 PolarHBondContact O-N 2.93Å; D55-R59 VanDerWaalsContact O-N 3.07Å; A56-R59 PolarHBondContact O-N 3.39Å; N57-R59 VanDerWaalsContact C-N 3.31Å; R59-K61 VanDerWaalsContact C-N 3.27Å; R59-K61 PolarHBondContact O-N 3.45Å; R59-D62 PolarHBondContact O-N 3.18Å; R59-D62 VanDerWaalsContact O-N 3.11Å; R59-M63 VanDerWaalsContact O-CG 3.27Å; R59-M63 WeakPolarHBondContact O-CG 3.47Å; R59-M63 PolarHBondContact O-N 2.79Å; R59-F111 HydrophobicContact CB-CZ 4.29Å; R59-Y292 HydrophobicContact CB-CE1 4.44Å; R59-Y292 HydrophobicContact CG-CE1 3.95Å
60I98.7Very high98Very high21 Ų2147.8 Ų47.811%0.10825%0.245CC..Hα-helixtrans-60.1-37.9-179.5-75.6165.8000111.4A56 N57 A58 D62 M63 D64 H107 R110 F111A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.3Å; A56-I60 PolarHBondContact O-N 2.83Å; N57-I60 PolarHBondContact O-N 2.83Å; A58-I60 PolarHBondContact O-N 3Å; I60-D62 PolarHBondContact O-N 3.43Å; I60-M63 HydrophobicContact CG1-SD 4.29Å; I60-M63 WeakPolarHBondContact O-CB 3.27Å; I60-M63 PolarHBondContact O-N 3.41Å; I60-D64 WeakPolarHBondContact O-CB 3.24Å; I60-D64 PolarHBondContact O-N 2.97Å; I60-H107 HydrophobicContact CD1-CB 4.07Å; I60-H107 WeakPolarHBondContact CD1-ND1 3.35Å; I60-R110 HydrophobicContact CD1-CG 4.4Å; I60-R110 HydrophobicContact CG1-CB 4.49Å; I60-F111 HydrophobicContact CD1-CE2 3.91Å; I60-F111 HydrophobicContact CD1-CZ 4.22Å; I60-F111 HydrophobicContact CG1-CE2 4Å; I60-F111 HydrophobicContact CG1-CZ 3.77Å
61K98.4Very high98.1Very high145 Ų14544.1 Ų44.163%0.6323%0.227SC*.Hα-helixtrans-60.9-44.1174.8-70.6169.7-174.11720112N57 A58 R59 D64 K65N57-K61 WeakPolarHBondContact O-CG 3.21Å; N57-K61 PolarHBondContact O-N 2.89Å; N57-K61 VanDerWaalsContact O-N 3.09Å; A58-K61 PolarHBondContact O-N 2.88Å; R59-K61 VanDerWaalsContact C-N 3.27Å; R59-K61 PolarHBondContact O-N 3.45Å; K61-D64 PolarHBondContact O-N 2.87Å; K61-K65 WeakPolarHBondContact O-CB 3.24Å; K61-K65 PolarHBondContact O-N 3.47Å
62D98.3Very high98.2Very high46 Ų4640 Ų4025%0.24621%0.208CC..Hα-helixtrans-65.4-43.7175.4-71.3-16.8000110.9A58 R59 I60 D64 K65 Y66 Y292A58-D62 PolarHBondContact O-N 3.21Å; R59-D62 PolarHBondContact O-N 3.18Å; R59-D62 VanDerWaalsContact O-N 3.11Å; I60-D62 PolarHBondContact O-N 3.43Å; D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 2.84Å; D62-K65 WeakPolarHBondContact O-CB 3.35Å; D62-K65 PolarHBondContact O-N 2.86Å; D62-Y66 WeakPolarHBondContact O-CD2 3.3Å; D62-Y66 PolarHBondContact O-N 3.33Å; D62-Y292 HydrophobicContact CB-CE2 4.13Å; D62-Y292 WeakPolarHBondContact CB-OH 3.47Å; D62-Y292 PolarHBondContact OD2-OH 3.17Å
63M98.7Very high98.3Very high2 Ų238.7 Ų38.71%0.0120%0.201CC..Hα-helixtrans-58-45176.1-69.4169.371.600111.8R59 I60 Y66 G67 V68 Q71 R110 F111R59-M63 VanDerWaalsContact O-CG 3.27Å; R59-M63 WeakPolarHBondContact O-CG 3.47Å; R59-M63 PolarHBondContact O-N 2.79Å; I60-M63 HydrophobicContact CG1-SD 4.29Å; I60-M63 WeakPolarHBondContact O-CB 3.27Å; I60-M63 PolarHBondContact O-N 3.41Å; M63-Y66 PolarHBondContact O-N 3.5Å; M63-G67 CarbonylContact O-C 3.54Å; M63-G67 WeakPolarHBondContact O-CA 3.47Å; M63-G67 PolarHBondContact O-N 2.96Å; M63-V68 HydrophobicContact CB-CB 4.04Å; M63-V68 HydrophobicContact CE-CG1 4.2Å; M63-V68 HydrophobicContact CG-CB 4.13Å; M63-V68 HydrophobicContact CG-CG1 4.27Å; M63-V68 PolarHBondContact O-N 3.3Å; M63-Q71 HydrophobicContact CE-CB 4.37Å; M63-Q71 HydrophobicContact CE-CG 4.23Å; M63-Q71 HydrophobicContact CG-CG 4.45Å; M63-Q71 HydrophobicContact SD-CG 4.27Å; M63-R110 HydrophobicContact CE-CB 4.2Å; M63-R110 WeakPolarHBondContact CE-O 3.38Å; M63-F111 HydrophobicContact CE-CE1 4.06Å; M63-F111 HydrophobicContact SD-CD1 4.45Å; M63-F111 HydrophobicContact SD-CE1 3.45Å; M63-F111 WeakPolarHBondContact SD-CE1 3.44Å; M63-F111 HydrophobicContact SD-CZ 3.81Å
64D98.6Very high98.4Very high98 Ų9838.7 Ų38.752%0.52420%0.201SC..Hα-helixtrans-64.5-41.4177.7-69.1-13.8000111.2I60 K61 D62 Y66 G67 R110I60-D64 WeakPolarHBondContact O-CB 3.24Å; I60-D64 PolarHBondContact O-N 2.97Å; K61-D64 PolarHBondContact O-N 2.87Å; D62-D64 VanDerWaalsContact C-N 3.33Å; D62-D64 PolarHBondContact O-N 2.84Å; D64-Y66 VanDerWaalsContact C-N 3.34Å; D64-Y66 PolarHBondContact O-N 3.48Å; D64-G67 PolarHBondContact O-N 2.84Å; D64-R110 IonicContact OD1-CZ 2.74Å; D64-R110 IonicContact OD1-NH1 2.72Å; D64-R110 PolarHBondContact OD1-NH1 3.37Å; D64-R110 IonicContact OD1-NH2 3.65Å; D64-R110 PolarHBondContact OD1-NH2 2.93Å; D64-R110 IonicContact OD2-NH1 3.74Å
65K98.1Very high98.4Very high142 Ų14237.9 Ų37.962%0.61720%0.199SC*.Hα-helixtrans-59.2-41.9176.1-179.5-172.2175.5-162.60112.3K61 D62K61-K65 WeakPolarHBondContact O-CB 3.24Å; K61-K65 PolarHBondContact O-N 3.47Å; D62-K65 WeakPolarHBondContact O-CB 3.35Å; D62-K65 PolarHBondContact O-N 2.86Å
66Y97.5Very high98.4Very high70 Ų7035.2 Ų35.228%0.27519%0.185SC..Hα-helixtrans-98.11.6-176.3-64.7-67.8000114.4D62 M63 D64 V68 E300 P301D62-Y66 WeakPolarHBondContact O-CD2 3.3Å; D62-Y66 PolarHBondContact O-N 3.33Å; M63-Y66 PolarHBondContact O-N 3.5Å; D64-Y66 VanDerWaalsContact C-N 3.34Å; D64-Y66 PolarHBondContact O-N 3.48Å; Y66-V68 VanDerWaalsContact C-N 3.31Å; Y66-V68 PolarHBondContact O-N 3.1Å; Y66-E300 HydrophobicContact CE1-CB 4.49Å; Y66-E300 HydrophobicContact CE1-CG 4.03Å; Y66-P301 HydrophobicContact CG-CG 4.41Å
67G97.8Very high98.4Very high44 Ų4434.7 Ų34.745%0.45418%0.181SC..THydrogen-bonded Turntrans70.523-179.200000114.5M63 D64 T69M63-G67 CarbonylContact O-C 3.54Å; M63-G67 WeakPolarHBondContact O-CA 3.47Å; M63-G67 PolarHBondContact O-N 2.96Å; D64-G67 PolarHBondContact O-N 2.84Å; G67-T69 PolarHBondContact O-N 3.49Å
68V98.6Very high98.4Very high4 Ų430.8 Ų30.82%0.02416%0.16CC..  trans-74.6118.8172.5-177.40000109.2D4 M63 Y66 Q71 R110 P301D4-V68 HydrophobicContact CB-CG1 4.05Å; M63-V68 HydrophobicContact CB-CB 4.04Å; M63-V68 HydrophobicContact CE-CG1 4.2Å; M63-V68 HydrophobicContact CG-CB 4.13Å; M63-V68 HydrophobicContact CG-CG1 4.27Å; M63-V68 PolarHBondContact O-N 3.3Å; Y66-V68 VanDerWaalsContact C-N 3.31Å; Y66-V68 PolarHBondContact O-N 3.1Å; V68-Q71 HydrophobicContact CG1-CG 4.11Å; V68-R110 PolarHBondContact O-NH2 2.94Å; V68-R110 VanDerWaalsContact O-NH2 3.08Å; V68-P301 HydrophobicContact CG2-CB 3.46Å; V68-P301 VanDerWaalsContact CG2-CB 3.46Å; V68-P301 HydrophobicContact CG2-CG 3.87Å
69T98.5Very high98.4Very high37 Ų3730.7 Ų30.723%0.22716%0.158CC..  trans-81.8-49.3-177.3-43.90000110.5M1 K2 G67 R110M1-T69 WeakPolarHBondContact CA-OG1 3.41Å; M1-T69 HydrophobicContact CG-CG2 4.03Å; K2-T69 PolarHBondContact N-OG1 3.01Å; K2-T69 WeakPolarHBondContact O-CA 3.17Å; K2-T69 VanDerWaalsContact O-CB 3.26Å; K2-T69 WeakPolarHBondContact O-CB 2.95Å; K2-T69 PolarHBondContact O-N 3.11Å; K2-T69 PolarHBondContact O-OG1 2.89Å; G67-T69 PolarHBondContact O-N 3.49Å; T69-R110 PolarHBondContact O-NE 2.82Å
70V98.8Very high98.5Very high1 Ų130.7 Ų30.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-133.9138.4-175.2-172.90000110.4M1 K2 V3 D4 R110 V112 F336M1-V70 HydrophobicContact CE-CG2 3.75Å; K2-V70 PolarHBondContact O-N 3.22Å; K2-V70 VanDerWaalsContact O-N 3.11Å; V3-V70 WeakPolarHBondContact CA-O 3.24Å; V3-V70 HydrophobicContact CG1-CB 4.35Å; V3-V70 HydrophobicContact CG2-CB 4.29Å; D4-V70 PolarHBondContact N-O 3.24Å; V70-R110 CarbonylContact C-O 3.58Å; V70-R110 VanDerWaalsContact CA-O 3.25Å; V70-R110 WeakPolarHBondContact CA-O 3.24Å; V70-V112 HydrophobicContact CG1-CG1 4.44Å; V70-V112 HydrophobicContact CG1-CG2 4.44Å; V70-F336 HydrophobicContact CB-CD1 4.46Å; V70-F336 HydrophobicContact CG1-CD1 4.18Å; V70-F336 HydrophobicContact CG1-CE1 3.87Å; V70-F336 HydrophobicContact CG1-CZ 4.19Å; V70-F336 HydrophobicContact CG2-CB 3.73Å; V70-F336 HydrophobicContact CG2-CD1 3.38Å; V70-F336 HydrophobicContact CG2-CD2 3.92Å; V70-F336 HydrophobicContact CG2-CE1 3.91Å; V70-F336 HydrophobicContact CG2-CE2 4.37Å; V70-F336 HydrophobicContact CG2-CG 3.38Å; V70-F336 HydrophobicContact CG2-CZ 4.36Å
71Q98.9Very high98.4Very high3 Ų330.1 Ų30.11%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-111.6132.9165.9-85.6-177.9-18.600110.2D4 M63 V68 L73 R110 F111 V112D4-Q71 HydrophobicContact CB-CG 3.97Å; D4-Q71 PolarHBondContact OD2-NE2 2.74Å; M63-Q71 HydrophobicContact CE-CB 4.37Å; M63-Q71 HydrophobicContact CE-CG 4.23Å; M63-Q71 HydrophobicContact CG-CG 4.45Å; M63-Q71 HydrophobicContact SD-CG 4.27Å; V68-Q71 HydrophobicContact CG1-CG 4.11Å; Q71-L73 HydrophobicContact CB-CD2 4.04Å; Q71-L73 PolarHBondContact O-N 3.32Å; Q71-R110 PolarHBondContact N-O 3.38Å; Q71-F111 HydrophobicContact CB-CD1 3.89Å; Q71-F111 HydrophobicContact CB-CE1 4.03Å; Q71-F111 WeakPolarHBondContact O-CA 3.4Å; Q71-V112 PolarHBondContact O-N 3.44Å; Q71-V112 VanDerWaalsContact O-N 3.11Å
72A98.9Very high98.5Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-86.297.4167.400000108.6D4 I5 N7 V112 L114 L329D4-A72 PolarHBondContact O-N 2.87Å; I5-A72 HydrophobicContact CD1-CB 3.85Å; N7-A72 PolarHBondContact ND2-N 2.83Å; N7-A72 PolarHBondContact ND2-O 2.7Å; A72-V112 CarbonylContact C-O 3.52Å; A72-V112 WeakPolarHBondContact CA-O 3.35Å; A72-V112 HydrophobicContact CB-CG2 3.76Å; A72-L114 HydrophobicContact CB-CD1 4.13Å; A72-L114 HydrophobicContact CB-CG 4.24Å; A72-L329 HydrophobicContact CB-CD1 4.44Å
73L98.9Very high98.5Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-72.6134.4-173.3-56.9-179.9000110.2N7 I9 Q71 L100 T103 F111 V112 L114N7-L73 VanDerWaalsContact OD1-CD2 3.29Å; N7-L73 WeakPolarHBondContact OD1-CD2 3.27Å; I9-L73 HydrophobicContact CD1-CD1 4.25Å; I9-L73 HydrophobicContact CG2-CB 3.99Å; I9-L73 HydrophobicContact CG2-CD1 4.4Å; Q71-L73 HydrophobicContact CB-CD2 4.04Å; Q71-L73 PolarHBondContact O-N 3.32Å; L73-L100 HydrophobicContact CB-CD1 3.41Å; L73-L100 VanDerWaalsContact CB-CD1 3.41Å; L73-L100 HydrophobicContact CB-CG 4.33Å; L73-L100 HydrophobicContact CD1-CD1 4.17Å; L73-L100 HydrophobicContact CG-CD1 4.45Å; L73-T103 HydrophobicContact CD1-CG2 3.57Å; L73-F111 HydrophobicContact CD1-CB 3.78Å; L73-F111 HydrophobicContact CD1-CD1 3.82Å; L73-F111 HydrophobicContact CD1-CD2 4.19Å; L73-F111 HydrophobicContact CD1-CE1 4.47Å; L73-F111 HydrophobicContact CD1-CG 3.67Å; L73-F111 HydrophobicContact CD2-CD1 3.63Å; L73-F111 HydrophobicContact CD2-CE1 3.9Å; L73-F111 HydrophobicContact CD2-CG 4.35Å; L73-F111 HydrophobicContact CG-CB 4.08Å; L73-F111 HydrophobicContact CG-CD1 3.76Å; L73-F111 HydrophobicContact CG-CE1 4.48Å; L73-F111 HydrophobicContact CG-CG 4.05Å; L73-V112 PolarHBondContact N-O 3.5Å; L73-L114 PolarHBondContact O-N 3.15Å
74S98.9Very high98.5Very high1 Ų127.3 Ų27.31%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-134.8161.1169.372.70000110.9N7 H8 I9 Q142N7-S74 PolarHBondContact O-N 2.9Å; N7-S74 PolarHBondContact O-OG 3.29Å; H8-S74 CarbonylContact C-O 3.47Å; H8-S74 VanDerWaalsContact CA-O 3.26Å; H8-S74 WeakPolarHBondContact CA-O 3.46Å; H8-S74 PolarHBondContact ND1-OG 3.43Å; I9-S74 PolarHBondContact N-O 3.38Å; S74-Q142 VanDerWaalsContact OG-CD 3.23Å; S74-Q142 PolarHBondContact OG-NE2 2.98Å; S74-Q142 PolarHBondContact OG-OE1 2.82Å
75T98.8Very high98.5Very high8 Ų828.5 Ų28.55%0.04914%0.14CC..EExtended strand (participates in β ladder)trans-68.2158.7172.7-170.40000111.4H8 I9 M79 F80 T116 Q142H8-T75 PolarHBondContact ND1-O 2.93Å; I9-T75 WeakPolarHBondContact O-CA 3.48Å; T75-M79 HydrophobicContact CG2-CB 4.34Å; T75-M79 WeakPolarHBondContact OG1-CB 3.49Å; T75-F80 HydrophobicContact CG2-CD1 4.47Å; T75-F80 HydrophobicContact CG2-CE1 4.4Å; T75-T116 HydrophobicContact CG2-CG2 4.04Å; T75-Q142 PolarHBondContact O-NE2 2.84Å
76V98.4Very high98.5Very high4 Ų424.1 Ų24.12%0.02413%0.126CC..  trans-65.6134.8169.8-175.40000109.8H8 L10 M39 V78 M79 F294H8-V76 HydrophobicContact CB-CG2 3.87Å; L10-V76 HydrophobicContact CD1-CG2 3.87Å; L10-V76 HydrophobicContact CD2-CB 4.11Å; L10-V76 HydrophobicContact CD2-CG2 3.81Å; L10-V76 HydrophobicContact CG-CB 4.48Å; L10-V76 HydrophobicContact CG-CG2 3.65Å; M39-V76 HydrophobicContact CE-CG1 4.28Å; V76-V78 HydrophobicContact CB-CG1 4.38Å; V76-V78 HydrophobicContact CG1-CG1 3.89Å; V76-V78 PolarHBondContact O-N 3.43Å; V76-V78 VanDerWaalsContact O-N 3.07Å; V76-M79 VanDerWaalsContact O-CB 3.3Å; V76-M79 WeakPolarHBondContact O-CB 3.42Å; V76-M79 WeakPolarHBondContact O-CG 3.44Å; V76-M79 PolarHBondContact O-N 3.02Å; V76-F294 HydrophobicContact CB-CZ 4.41Å; V76-F294 HydrophobicContact CG1-CE2 4.11Å; V76-F294 HydrophobicContact CG1-CZ 3.77Å; V76-F294 HydrophobicContact CG2-CE2 4.38Å; V76-F294 HydrophobicContact CG2-CZ 3.71Å
77P98.3Very high98.6Very high4 Ų427 Ų273%0.02614%0.142CC..G310 helixtrans-55-29.6-175-29.834.6000116.1M79 F80 H174 W176P77-M79 PolarHBondContact O-N 3.02Å; P77-F80 HydrophobicContact CB-CD2 4.1Å; P77-F80 HydrophobicContact CB-CE2 3.65Å; P77-F80 HydrophobicContact CB-CZ 4.01Å; P77-F80 HydrophobicContact CG-CE2 4.41Å; P77-F80 HydrophobicContact CG-CZ 4.39Å; P77-F80 VanDerWaalsContact O-CB 3.32Å; P77-F80 WeakPolarHBondContact O-CB 3.37Å; P77-F80 WeakPolarHBondContact O-CD2 3.48Å; P77-F80 WeakPolarHBondContact O-CG 3.37Å; P77-F80 PolarHBondContact O-N 2.65Å; P77-H174 HydrophobicContact CG-CB 4.42Å; P77-H174 VanDerWaalsContact CG-CE1 3.46Å; P77-H174 WeakPolarHBondContact CG-CE1 3.32Å; P77-H174 VanDerWaalsContact CG-ND1 3.28Å; P77-H174 WeakPolarHBondContact CG-ND1 3.46Å; P77-W176 HydrophobicContact CB-CB 3.98Å; P77-W176 HydrophobicContact CB-CD2 3.67Å; P77-W176 HydrophobicContact CB-CE3 3.62Å; P77-W176 HydrophobicContact CB-CG 3.8Å; P77-W176 HydrophobicContact CB-CZ3 4.46Å
78V97.4Very high98.6Very high9 Ų926.5 Ų26.56%0.05513%0.129CC..G310 helixtrans-58.5-21.1175.272.90000113.1V27 M39 F46 V76 W176V27-V78 HydrophobicContact CG2-CB 4.42Å; V27-V78 HydrophobicContact CG2-CG1 4Å; V27-V78 HydrophobicContact CG2-CG2 3.55Å; M39-V78 HydrophobicContact CE-CG1 3.55Å; F46-V78 HydrophobicContact CE1-CB 4.14Å; F46-V78 HydrophobicContact CE1-CG1 4.13Å; F46-V78 HydrophobicContact CE1-CG2 4.22Å; F46-V78 HydrophobicContact CE2-CG2 4.49Å; F46-V78 HydrophobicContact CZ-CB 4.27Å; F46-V78 HydrophobicContact CZ-CG2 4.21Å; V76-V78 HydrophobicContact CB-CG1 4.38Å; V76-V78 HydrophobicContact CG1-CG1 3.89Å; V76-V78 PolarHBondContact O-N 3.43Å; V76-V78 VanDerWaalsContact O-N 3.07Å; V78-W176 HydrophobicContact CB-CH2 3.84Å; V78-W176 HydrophobicContact CB-CZ2 3.6Å; V78-W176 HydrophobicContact CG2-CH2 4.11Å; V78-W176 HydrophobicContact CG2-CZ2 3.66Å
79M98.4Very high98.6Very high5 Ų526.3 Ų26.33%0.02513%0.128CC..G310 helixtrans-81.9-10.1178.1-57.7-58.7-7200113.8L10 W14 V27 T75 V76 P77 S81 L92 L96L10-M79 HydrophobicContact CD2-CG 3.72Å; L10-M79 HydrophobicContact CD2-SD 4.37Å; W14-M79 HydrophobicContact CH2-CE 4.45Å; W14-M79 HydrophobicContact CZ2-CE 4.01Å; W14-M79 HydrophobicContact CZ2-SD 4.38Å; V27-M79 HydrophobicContact CB-SD 3.9Å; V27-M79 HydrophobicContact CG1-SD 4.32Å; T75-M79 HydrophobicContact CG2-CB 4.34Å; T75-M79 WeakPolarHBondContact OG1-CB 3.49Å; V76-M79 VanDerWaalsContact O-CB 3.3Å; V76-M79 WeakPolarHBondContact O-CB 3.42Å; V76-M79 WeakPolarHBondContact O-CG 3.44Å; V76-M79 PolarHBondContact O-N 3.02Å; P77-M79 PolarHBondContact O-N 3.02Å; M79-S81 PolarHBondContact O-N 2.75Å; M79-S81 PolarHBondContact O-OG 2.8Å; M79-L92 HydrophobicContact CE-CD1 4.27Å; M79-L96 HydrophobicContact CB-CD1 3.97Å; M79-L96 HydrophobicContact CE-CD1 4.42Å; M79-L96 HydrophobicContact CE-CD2 4.25Å
80F98.8Very high98.7Very high1 Ų125.9 Ų25.90%0.00412%0.124CC..  trans-53.7-38.6-178.6-71.8-25000113.6T75 P77 Y82 T89 Q142 H174 W176T75-F80 HydrophobicContact CG2-CD1 4.47Å; T75-F80 HydrophobicContact CG2-CE1 4.4Å; P77-F80 HydrophobicContact CB-CD2 4.1Å; P77-F80 HydrophobicContact CB-CE2 3.65Å; P77-F80 HydrophobicContact CB-CZ 4.01Å; P77-F80 HydrophobicContact CG-CE2 4.41Å; P77-F80 HydrophobicContact CG-CZ 4.39Å; P77-F80 VanDerWaalsContact O-CB 3.32Å; P77-F80 WeakPolarHBondContact O-CB 3.37Å; P77-F80 WeakPolarHBondContact O-CD2 3.48Å; P77-F80 WeakPolarHBondContact O-CG 3.37Å; P77-F80 PolarHBondContact O-N 2.65Å; F80-Y82 HydrophobicContact CB-CD1 4.12Å; F80-Y82 HydrophobicContact CB-CD2 4.29Å; F80-Y82 HydrophobicContact CB-CE1 3.75Å; F80-Y82 HydrophobicContact CB-CE2 3.97Å; F80-Y82 HydrophobicContact CB-CG 4.36Å; F80-Y82 HydrophobicContact CD2-CE2 4.08Å; F80-Y82 HydrophobicContact CG-CE1 4.28Å; F80-Y82 HydrophobicContact CG-CE2 4.12Å; F80-Y82 AromaticContact CG-CZ 3.78Å; F80-Y82 VanDerWaalsContact O-CD1 3.26Å; F80-Y82 WeakPolarHBondContact O-CD1 3.21Å; F80-Y82 WeakPolarHBondContact O-CE1 3.43Å; F80-Y82 PolarHBondContact O-N 2.72Å; F80-Y82 VanDerWaalsContact O-N 3.1Å; F80-T89 WeakPolarHBondContact O-CG2 3.46Å; F80-Q142 HydrophobicContact CE1-CG 4.05Å; F80-Q142 HydrophobicContact CZ-CG 3.86Å; F80-H174 HydrophobicContact CZ-CB 4.36Å; F80-W176 HydrophobicContact CD2-CB 4.05Å; F80-W176 HydrophobicContact CD2-CG 4.13Å; F80-W176 HydrophobicContact CE2-CB 4Å; F80-W176 HydrophobicContact CE2-CG 4.45Å
81S98.5Very high98.7Very high8 Ų828.3 Ų28.36%0.05614%0.137CC..  trans54.333.5170.5-49.30000115M79 W83 A84 T89M79-S81 PolarHBondContact O-N 2.75Å; M79-S81 PolarHBondContact O-OG 2.8Å; S81-W83 PolarHBondContact O-N 2.83Å; S81-A84 VanDerWaalsContact O-CB 3.31Å; S81-A84 WeakPolarHBondContact O-CB 3.22Å; S81-A84 PolarHBondContact O-N 3.41Å; S81-T89 PolarHBondContact O-OG1 2.86Å
82Y98.8Very high98.7Very high16 Ų1628.2 Ų28.26%0.06314%0.137CC..THydrogen-bonded Turntrans-65-18.2-179.9-58-25.7000114.1F80 A84 L117 M119 Q120 I143 G144 I147 N148F80-Y82 HydrophobicContact CB-CD1 4.12Å; F80-Y82 HydrophobicContact CB-CD2 4.29Å; F80-Y82 HydrophobicContact CB-CE1 3.75Å; F80-Y82 HydrophobicContact CB-CE2 3.97Å; F80-Y82 HydrophobicContact CB-CG 4.36Å; F80-Y82 HydrophobicContact CD2-CE2 4.08Å; F80-Y82 HydrophobicContact CG-CE1 4.28Å; F80-Y82 HydrophobicContact CG-CE2 4.12Å; F80-Y82 AromaticContact CG-CZ 3.78Å; F80-Y82 VanDerWaalsContact O-CD1 3.26Å; F80-Y82 WeakPolarHBondContact O-CD1 3.21Å; F80-Y82 WeakPolarHBondContact O-CE1 3.43Å; F80-Y82 PolarHBondContact O-N 2.72Å; F80-Y82 VanDerWaalsContact O-N 3.1Å; Y82-A84 VanDerWaalsContact C-N 3.28Å; Y82-L117 VanDerWaalsContact CE1-O 3.27Å; Y82-L117 WeakPolarHBondContact CE1-O 3.43Å; Y82-M119 HydrophobicContact CD1-CB 4.05Å; Y82-M119 HydrophobicContact CE1-CB 3.71Å; Y82-M119 HydrophobicContact CE1-CG 3.78Å; Y82-M119 HydrophobicContact CE2-CB 4.32Å; Y82-M119 HydrophobicContact CE2-CG 4.48Å; Y82-Q120 WeakPolarHBondContact O-CB 3.18Å; Y82-Q120 WeakPolarHBondContact O-CG 3.26Å; Y82-I143 WeakPolarHBondContact OH-CA 3.46Å; Y82-G144 PolarHBondContact OH-N 3.4Å; Y82-I147 HydrophobicContact CD2-CB 4.43Å; Y82-I147 HydrophobicContact CD2-CG1 4.2Å; Y82-I147 HydrophobicContact CD2-CG2 4.35Å; Y82-I147 HydrophobicContact CE2-CG1 4.25Å; Y82-I147 HydrophobicContact CG-CG2 4.36Å; Y82-N148 PolarHBondContact O-ND2 2.61Å; Y82-N148 PolarHBondContact O-OD1 3.09Å
83W98.5Very high98.7Very high109 Ų10928.3 Ų28.341%0.41314%0.137SC..THydrogen-bonded Turntrans-73.9-17.6174.560.6-95000113.1Y23 D24 G25 F26 S81Y23-W83 HydrophobicContact CD2-CH2 4.29Å; Y23-W83 AromaticContact CD2-CZ3 4Å; Y23-W83 HydrophobicContact CD2-CZ3 4Å; Y23-W83 AromaticContact CE2-CH2 3.9Å; Y23-W83 HydrophobicContact CE2-CH2 3.9Å; Y23-W83 AromaticContact CE2-CZ3 3.61Å; Y23-W83 HydrophobicContact CE2-CZ3 3.61Å; D24-W83 VanDerWaalsContact O-CH2 3.26Å; D24-W83 WeakPolarHBondContact O-CH2 3.44Å; G25-W83 WeakPolarHBondContact O-CZ2 3.05Å; F26-W83 HydrophobicContact CD1-CH2 4.33Å; F26-W83 HydrophobicContact CD1-CZ2 4.12Å; F26-W83 HydrophobicContact CD2-CH2 4.04Å; F26-W83 HydrophobicContact CE1-CH2 4.15Å; F26-W83 HydrophobicContact CE1-CZ2 4.12Å; F26-W83 AromaticContact CE2-CH2 3.84Å; F26-W83 HydrophobicContact CE2-CH2 3.84Å; F26-W83 HydrophobicContact CG-CH2 4.29Å; F26-W83 HydrophobicContact CG-CZ2 4.34Å; F26-W83 AromaticContact CZ-CH2 3.9Å; F26-W83 HydrophobicContact CZ-CH2 3.9Å; F26-W83 HydrophobicContact CZ-CZ2 4.35Å; S81-W83 PolarHBondContact O-N 2.83Å
84A98.7Very high98.7Very high9 Ų930.3 Ų30.37%0.07415%0.15CC..SBendtrans-86.1172.6-173.500000112Y23 F26 S81 Y82 Q120Y23-A84 HydrophobicContact CE2-CB 4.29Å; Y23-A84 WeakPolarHBondContact OH-CB 3.32Å; F26-A84 HydrophobicContact CE1-CB 4.12Å; F26-A84 HydrophobicContact CZ-CB 3.95Å; S81-A84 VanDerWaalsContact O-CB 3.31Å; S81-A84 WeakPolarHBondContact O-CB 3.22Å; S81-A84 PolarHBondContact O-N 3.41Å; Y82-A84 VanDerWaalsContact C-N 3.28Å; A84-Q120 PolarHBondContact O-NE2 2.88Å
85K98.8Very high98.7Very high123 Ų12332.1 Ų32.154%0.53516%0.159SC..  trans-62.5138177.1-64.1-179.7-168.11580110.1Y23 H87 D88 T89Y23-K85 HydrophobicContact CE1-CD 4.17Å; Y23-K85 HydrophobicContact CE1-CG 4.36Å; Y23-K85 PolarHBondContact OH-N 3.19Å; K85-H87 VanDerWaalsContact C-N 3.34Å; K85-H87 PolarHBondContact O-N 2.88Å; K85-D88 HydrophobicContact CB-CB 4.32Å; K85-D88 WeakPolarHBondContact CB-OD2 3.45Å; K85-D88 WeakPolarHBondContact CD-OD2 3.36Å; K85-D88 PolarHBondContact O-N 3.32Å; K85-T89 PolarHBondContact O-N 3.41Å; K85-T89 PolarHBondContact O-OG1 2.9Å
86P98.8Very high98.7Very high50 Ų5032 Ų3233%0.32516%0.158SC..Hα-helixtrans-52.3-43.5-174.6-32.836.8000116.2L90 Q120 A121 L124P86-L90 WeakPolarHBondContact O-CB 3.43Å; P86-L90 PolarHBondContact O-N 2.86Å; P86-Q120 HydrophobicContact CG-CG 4.23Å; P86-A121 HydrophobicContact CB-CB 3.63Å; P86-A121 HydrophobicContact CG-CB 4.06Å; P86-L124 HydrophobicContact CB-CD1 3.83Å
87H98.8Very high98.7Very high132 Ų13232 Ų3261%0.61116%0.158SC*.Hα-helixtrans-72.9-30.4-179.4-74.7-70.7000113K85 L90 D91K85-H87 VanDerWaalsContact C-N 3.34Å; K85-H87 PolarHBondContact O-N 2.88Å; H87-L90 PolarHBondContact O-N 3.46Å; H87-D91 WeakPolarHBondContact O-CB 3.38Å; H87-D91 PolarHBondContact O-N 2.8Å
88D98.8Very high98.7Very high33 Ų3335.1 Ų35.118%0.17617%0.174CC..Hα-helixtrans-73.2-40175.8-61.5-23.6000110Y21 Y23 K85 D91 L92Y21-D88 HydrophobicContact CD1-CB 3.64Å; Y21-D88 HydrophobicContact CD2-CB 4.29Å; Y21-D88 HydrophobicContact CE1-CB 3.96Å; Y21-D88 HydrophobicContact CG-CB 3.84Å; Y21-D88 PolarHBondContact OH-O 2.96Å; Y23-D88 VanDerWaalsContact CE1-OD2 3.31Å; Y23-D88 WeakPolarHBondContact CE1-OD2 3.4Å; Y23-D88 PolarHBondContact OH-OD2 3.2Å; Y23-D88 VanDerWaalsContact OH-OD2 3.09Å; K85-D88 HydrophobicContact CB-CB 4.32Å; K85-D88 WeakPolarHBondContact CB-OD2 3.45Å; K85-D88 WeakPolarHBondContact CD-OD2 3.36Å; K85-D88 PolarHBondContact O-N 3.32Å; D88-D91 PolarHBondContact O-N 3.43Å; D88-L92 PolarHBondContact O-N 3.29Å
89T98.9Very high98.8Very high0 Ų036.6 Ų36.60%018%0.182CC..Hα-helixtrans-62.4-42.6170.4-53.60000111.4F80 S81 K85 D91 L92 C93 P118 Q120F80-T89 WeakPolarHBondContact O-CG2 3.46Å; S81-T89 PolarHBondContact O-OG1 2.86Å; K85-T89 PolarHBondContact O-N 3.41Å; K85-T89 PolarHBondContact O-OG1 2.9Å; T89-D91 PolarHBondContact O-N 2.86Å; T89-L92 PolarHBondContact O-N 2.63Å; T89-C93 WeakPolarHBondContact O-CB 3.45Å; T89-C93 PolarHBondContact O-N 3.12Å; T89-C93 PolarHBondContact O-SG 2.8Å; T89-P118 HydrophobicContact CG2-CB 3.85Å; T89-Q120 PolarHBondContact OG1-NE2 3.42Å
90L98.9Very high98.8Very high27 Ų2736.7 Ų36.714%0.14118%0.183CC..Hα-helixtrans-59.7-46.8176.1174.461.9000111.5P86 H87 L92 C93 V94 P118 L124 E128P86-L90 WeakPolarHBondContact O-CB 3.43Å; P86-L90 PolarHBondContact O-N 2.86Å; H87-L90 PolarHBondContact O-N 3.46Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 2.83Å; L90-C93 WeakPolarHBondContact O-CB 3.46Å; L90-C93 PolarHBondContact O-N 3.33Å; L90-V94 HydrophobicContact CD1-CG2 4.19Å; L90-V94 WeakPolarHBondContact O-CG2 2.89Å; L90-V94 PolarHBondContact O-N 3.38Å; L90-P118 HydrophobicContact CB-CB 4.27Å; L90-P118 HydrophobicContact CB-CG 4.02Å; L90-P118 HydrophobicContact CD1-CG 4.02Å; L90-L124 HydrophobicContact CD2-CB 4.46Å; L90-L124 HydrophobicContact CD2-CD1 4.31Å; L90-L124 HydrophobicContact CD2-CD2 4.14Å; L90-E128 HydrophobicContact CD1-CB 3.82Å; L90-E128 HydrophobicContact CD1-CG 4.19Å
91D98.9Very high98.8Very high52 Ų5237.4 Ų37.428%0.27819%0.189SC..Hα-helixtrans-59-43177.2174.682.6000111.8R20 Y21 H87 D88 T89 V94 L95R20-D91 IonicContact CZ-OD1 3.67Å; R20-D91 IonicContact CZ-OD2 3.54Å; R20-D91 VanDerWaalsContact CZ-OD2 3.23Å; R20-D91 IonicContact NE-OD1 3.71Å; R20-D91 IonicContact NE-OD2 3.42Å; R20-D91 PolarHBondContact NE-OD2 3.44Å; R20-D91 VanDerWaalsContact NH2-CG 3.28Å; R20-D91 IonicContact NH2-OD1 3.47Å; R20-D91 PolarHBondContact NH2-OD1 2.79Å; R20-D91 IonicContact NH2-OD2 3.95Å; R20-D91 PolarHBondContact NH2-OD2 2.84Å; Y21-D91 HydrophobicContact CE1-CB 4.26Å; Y21-D91 VanDerWaalsContact CE1-OD2 3.27Å; Y21-D91 WeakPolarHBondContact CE1-OD2 3.01Å; Y21-D91 PolarHBondContact OH-OD2 3.43Å; H87-D91 WeakPolarHBondContact O-CB 3.38Å; H87-D91 PolarHBondContact O-N 2.8Å; D88-D91 PolarHBondContact O-N 3.43Å; T89-D91 PolarHBondContact O-N 2.86Å; D91-V94 PolarHBondContact O-N 3.06Å; D91-L95 PolarHBondContact O-N 2.85Å; D91-L95 VanDerWaalsContact O-N 3.09Å
92L98.9Very high98.8Very high1 Ų143.3 Ų43.31%0.00522%0.215CC..Hα-helixtrans-63.3-45.2173.1179.759.5000112L17 Y21 M79 D88 T89 L90 V94 L95 L96L17-L92 HydrophobicContact CD1-CD1 3.81Å; L17-L92 HydrophobicContact CD1-CD2 4.17Å; L17-L92 HydrophobicContact CD2-CD1 4.23Å; Y21-L92 PolarHBondContact OH-N 2.87Å; M79-L92 HydrophobicContact CE-CD1 4.27Å; D88-L92 PolarHBondContact O-N 3.29Å; T89-L92 PolarHBondContact O-N 2.63Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 2.83Å; L92-V94 VanDerWaalsContact C-N 3.31Å; L92-V94 PolarHBondContact O-N 3.12Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-L96 HydrophobicContact CD1-CD1 4.07Å; L92-L96 HydrophobicContact CD1-CG 4.07Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 VanDerWaalsContact O-CG 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.29Å
93C98.9Very high98.8Very high2 Ų243.5 Ų43.51%0.01422%0.218CC..Hα-helixtrans-57.8-44.7176.7-68.60000111T89 L90 L95 L96 N97 T116 E128T89-C93 WeakPolarHBondContact O-CB 3.45Å; T89-C93 PolarHBondContact O-N 3.12Å; T89-C93 PolarHBondContact O-SG 2.8Å; L90-C93 WeakPolarHBondContact O-CB 3.46Å; L90-C93 PolarHBondContact O-N 3.33Å; C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 3.22Å; C93-L96 PolarHBondContact O-N 3.5Å; C93-N97 WeakPolarHBondContact O-CB 3.23Å; C93-N97 PolarHBondContact O-N 2.98Å; C93-N97 PolarHBondContact O-ND2 2.93Å; C93-N97 VanDerWaalsContact O-ND2 3.12Å; C93-T116 HydrophobicContact CB-CG2 4.1Å; C93-E128 HydrophobicContact CB-CG 4.48Å
94V98.9Very high98.9Very high43 Ų4339.5 Ų39.526%0.26121%0.205SC..Hα-helixtrans-60.5-43.8177.31700000111.2L90 D91 L92 N98L90-V94 HydrophobicContact CD1-CG2 4.19Å; L90-V94 WeakPolarHBondContact O-CG2 2.89Å; L90-V94 PolarHBondContact O-N 3.38Å; D91-V94 PolarHBondContact O-N 3.06Å; L92-V94 VanDerWaalsContact C-N 3.31Å; L92-V94 PolarHBondContact O-N 3.12Å; V94-N98 VanDerWaalsContact O-CB 3.3Å; V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 PolarHBondContact O-N 3.48Å; V94-N98 PolarHBondContact O-ND2 2.78Å; V94-N98 PolarHBondContact O-OD1 2.84Å
95L98.9Very high98.8Very high38 Ų3846.5 Ų46.520%0.19924%0.236CC..Hα-helixtrans-58.7-52.5176.1-172.7161.1000111.2P11 W14 P15 D91 L92 C93 N98 D99P11-L95 HydrophobicContact CG-CD2 4.22Å; W14-L95 HydrophobicContact CB-CD1 4.31Å; W14-L95 HydrophobicContact CB-CD2 4.11Å; P15-L95 HydrophobicContact CG-CD1 4.27Å; D91-L95 PolarHBondContact O-N 2.85Å; D91-L95 VanDerWaalsContact O-N 3.09Å; L92-L95 WeakPolarHBondContact O-CB 3.31Å; L92-L95 PolarHBondContact O-N 3.41Å; C93-L95 VanDerWaalsContact C-N 3.34Å; C93-L95 PolarHBondContact O-N 3.22Å; L95-N98 PolarHBondContact O-N 2.88Å; L95-D99 PolarHBondContact O-N 2.92Å; L95-D99 VanDerWaalsContact O-N 3.12Å
96L98.9Very high98.8Very high7 Ų743.9 Ų43.94%0.03723%0.234CC..Hα-helixtrans-63.8-43.6-178.3-64.9173.8000111.8P11 M79 L92 C93 N98 D99 L100 T116P11-L96 HydrophobicContact CG-CD2 3.71Å; M79-L96 HydrophobicContact CB-CD1 3.97Å; M79-L96 HydrophobicContact CE-CD1 4.42Å; M79-L96 HydrophobicContact CE-CD2 4.25Å; L92-L96 HydrophobicContact CD1-CD1 4.07Å; L92-L96 HydrophobicContact CD1-CG 4.07Å; L92-L96 HydrophobicContact CG-CD1 3.92Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 VanDerWaalsContact O-CG 3.32Å; L92-L96 WeakPolarHBondContact O-CG 3.42Å; L92-L96 PolarHBondContact O-N 3.29Å; C93-L96 PolarHBondContact O-N 3.5Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 2.92Å; L96-D99 PolarHBondContact O-N 2.58Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 3.32Å; L96-T116 HydrophobicContact CB-CG2 4.18Å; L96-T116 HydrophobicContact CD1-CG2 4.01Å
97N98.9Very high98.8Very high3 Ų343.8 Ų43.82%0.01623%0.229CC..Hα-helixtrans-67.5-34.9-179.6-68.3-23.4000111.6C93 A101 G115 T116 E128 C132 L136 F138C93-N97 WeakPolarHBondContact O-CB 3.23Å; C93-N97 PolarHBondContact O-N 2.98Å; C93-N97 PolarHBondContact O-ND2 2.93Å; C93-N97 VanDerWaalsContact O-ND2 3.12Å; N97-A101 WeakPolarHBondContact O-CB 3.17Å; N97-A101 PolarHBondContact O-N 3.03Å; N97-G115 WeakPolarHBondContact OD1-CA 3.33Å; N97-T116 PolarHBondContact ND2-O 3.01Å; N97-T116 PolarHBondContact OD1-N 3.44Å; N97-E128 PolarHBondContact ND2-OE1 3.28Å; N97-C132 PolarHBondContact ND2-SG 3.37Å; N97-L136 HydrophobicContact CB-CD1 3.83Å; N97-F138 HydrophobicContact CB-CE2 4.11Å; N97-F138 WeakPolarHBondContact O-CZ 3.08Å
98N98.9Very high98.8Very high70 Ų7041.2 Ų41.237%0.37422%0.224SC..Hα-helixtrans-68.7-41.8175.6-70.6-12.4000112.1V94 L95 L96 A101 Q102 R131V94-N98 VanDerWaalsContact O-CB 3.3Å; V94-N98 WeakPolarHBondContact O-CB 3.25Å; V94-N98 PolarHBondContact O-N 3.48Å; V94-N98 PolarHBondContact O-ND2 2.78Å; V94-N98 PolarHBondContact O-OD1 2.84Å; L95-N98 PolarHBondContact O-N 2.88Å; L96-N98 VanDerWaalsContact C-N 3.34Å; L96-N98 PolarHBondContact O-N 2.92Å; N98-A101 PolarHBondContact O-N 2.9Å; N98-Q102 PolarHBondContact O-N 3.48Å; N98-R131 PolarHBondContact OD1-NH1 3.42Å; N98-R131 PolarHBondContact OD1-NH2 3.48Å
99D98.9Very high98.8Very high40 Ų4045 Ų4521%0.21424%0.238CC..Hα-helixtrans-62.4-43.7174.317884.4000111.7P11 L95 L96 A101 Q102 T103P11-D99 WeakPolarHBondContact CA-OD2 3.33Å; P11-D99 HydrophobicContact CB-CB 4.19Å; P11-D99 HydrophobicContact CG-CB 3.87Å; L95-D99 PolarHBondContact O-N 2.92Å; L95-D99 VanDerWaalsContact O-N 3.12Å; L96-D99 PolarHBondContact O-N 2.58Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 3.47Å; D99-Q102 PolarHBondContact O-N 2.98Å; D99-T103 PolarHBondContact O-N 3.15Å; D99-T103 PolarHBondContact O-OG1 3.35Å
100L98.8Very high98.8Very high7 Ų747.3 Ų47.34%0.03725%0.247CC..Hα-helixtrans-60-43.7175.2-161.668.7000111.4I9 L73 L96 T103 V104 L114 F138I9-L100 HydrophobicContact CG2-CD1 3.45Å; I9-L100 VanDerWaalsContact CG2-CD1 3.45Å; L73-L100 HydrophobicContact CB-CD1 3.41Å; L73-L100 VanDerWaalsContact CB-CD1 3.41Å; L73-L100 HydrophobicContact CB-CG 4.33Å; L73-L100 HydrophobicContact CD1-CD1 4.17Å; L73-L100 HydrophobicContact CG-CD1 4.45Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 PolarHBondContact O-N 3.32Å; L100-T103 PolarHBondContact O-N 3.44Å; L100-V104 WeakPolarHBondContact O-CG2 3.47Å; L100-V104 PolarHBondContact O-N 3.07Å; L100-L114 WeakPolarHBondContact CD2-O 3.46Å; L100-F138 HydrophobicContact CB-CZ 3.92Å; L100-F138 HydrophobicContact CD2-CE2 4.06Å; L100-F138 HydrophobicContact CD2-CZ 3.96Å; L100-F138 HydrophobicContact CG-CZ 4.09Å
101A98.9Very high98.8Very high16 Ų1646.1 Ų46.113%0.13224%0.241CC..Hα-helixtrans-65.2-39177.100000112.1N97 N98 D99 T103 V104 H105 L136 F138N97-A101 WeakPolarHBondContact O-CB 3.17Å; N97-A101 PolarHBondContact O-N 3.03Å; N98-A101 PolarHBondContact O-N 2.9Å; D99-A101 VanDerWaalsContact C-N 3.33Å; D99-A101 PolarHBondContact O-N 3.47Å; A101-T103 VanDerWaalsContact C-N 3.35Å; A101-V104 PolarHBondContact O-N 3.26Å; A101-H105 VanDerWaalsContact O-CB 3.27Å; A101-H105 WeakPolarHBondContact O-CB 3.47Å; A101-H105 PolarHBondContact O-N 3.48Å; A101-L136 HydrophobicContact CB-CB 4.15Å; A101-L136 HydrophobicContact CB-CD1 4.23Å; A101-L136 HydrophobicContact CB-CD2 3.89Å; A101-L136 HydrophobicContact CB-CG 4.32Å; A101-F138 HydrophobicContact CB-CE1 3.94Å; A101-F138 HydrophobicContact CB-CZ 3.8Å
102Q98.8Very high98.8Very high132 Ų13244.2 Ų44.262%0.61723%0.231SC*.Hα-helixtrans-63.5-41.3174.8-177.4175.8-0.300111.8N98 D99 H105 S106N98-Q102 PolarHBondContact O-N 3.48Å; D99-Q102 PolarHBondContact O-N 2.98Å; Q102-H105 PolarHBondContact O-N 3.27Å; Q102-S106 WeakPolarHBondContact O-CB 3.28Å; Q102-S106 PolarHBondContact O-N 3.23Å; Q102-S106 PolarHBondContact O-OG 2.96Å
103T98.8Very high98.8Very high19 Ų1944.2 Ų44.212%0.11723%0.232CC..Hα-helixtrans-63-46.3176-63.20000111.2I9 A56 L73 D99 L100 A101 S106 H107 F111I9-T103 HydrophobicContact CD1-CG2 4.14Å; A56-T103 HydrophobicContact CB-CG2 3.99Å; L73-T103 HydrophobicContact CD1-CG2 3.57Å; D99-T103 PolarHBondContact O-N 3.15Å; D99-T103 PolarHBondContact O-OG1 3.35Å; L100-T103 PolarHBondContact O-N 3.44Å; A101-T103 VanDerWaalsContact C-N 3.35Å; T103-S106 PolarHBondContact O-N 3.44Å; T103-H107 PolarHBondContact O-N 3.35Å; T103-F111 HydrophobicContact CG2-CD2 4.03Å; T103-F111 HydrophobicContact CG2-CE2 4.31Å
104V98.8Very high98.8Very high25 Ų2544.2 Ų44.215%0.15223%0.231CC..Hα-helixtrans-61.5-46.2175.6171.20000111.1L100 A101 S106 H107 P108 F111L100-V104 WeakPolarHBondContact O-CG2 3.47Å; L100-V104 PolarHBondContact O-N 3.07Å; A101-V104 PolarHBondContact O-N 3.26Å; V104-S106 PolarHBondContact O-N 3.42Å; V104-H107 CarbonylContact O-C 3.17Å; V104-H107 PolarHBondContact O-N 3.01Å; V104-H107 VanDerWaalsContact O-N 3.13Å; V104-P108 WeakPolarHBondContact O-CA 3.3Å; V104-P108 WeakPolarHBondContact O-CD 3.15Å; V104-F111 HydrophobicContact CG2-CB 4Å
105H98.5Very high98.8Very high157 Ų15742.1 Ų42.173%0.72722%0.219SC*.Hα-helixtrans-60.2-35179.1-178.575.1000112.8A101 Q102 H107 P108A101-H105 VanDerWaalsContact O-CB 3.27Å; A101-H105 WeakPolarHBondContact O-CB 3.47Å; A101-H105 PolarHBondContact O-N 3.48Å; Q102-H105 PolarHBondContact O-N 3.27Å; H105-H107 VanDerWaalsContact C-N 3.34Å; H105-P108 WeakPolarHBondContact O-CD 3.29Å
106S98.5Very high98.8Very high68 Ų6840.4 Ų40.448%0.47621%0.21SC..Hα-helixtrans-72.4-28.2179.2-57.30000112.6Q102 T103 V104Q102-S106 WeakPolarHBondContact O-CB 3.28Å; Q102-S106 PolarHBondContact O-N 3.23Å; Q102-S106 PolarHBondContact O-OG 2.96Å; T103-S106 PolarHBondContact O-N 3.44Å; V104-S106 PolarHBondContact O-N 3.42Å
107H98.5Very high98.8Very high48 Ų4840.1 Ų40.122%0.22221%0.208CC..SBendtrans-140.862.4-178.9-51.2-84.8000112.4I60 T103 V104 H105 K109 R110 F111I60-H107 HydrophobicContact CD1-CB 4.07Å; I60-H107 WeakPolarHBondContact CD1-ND1 3.35Å; T103-H107 PolarHBondContact O-N 3.35Å; V104-H107 CarbonylContact O-C 3.17Å; V104-H107 PolarHBondContact O-N 3.01Å; V104-H107 VanDerWaalsContact O-N 3.13Å; H105-H107 VanDerWaalsContact C-N 3.34Å; H107-K109 PolarHBondContact O-N 2.94Å; H107-K109 VanDerWaalsContact O-N 3.09Å; H107-R110 HydrophobicContact CB-CB 4.16Å; H107-R110 HydrophobicContact CB-CG 4.4Å; H107-R110 PolarHBondContact O-N 2.76Å; H107-F111 HydrophobicContact CB-CD2 3.74Å; H107-F111 HydrophobicContact CB-CE2 3.96Å; H107-F111 PolarHBondContact O-N 3.39Å; H107-F111 VanDerWaalsContact O-N 3.09Å
108P98.3Very high98.8Very high78 Ų7840 Ų4051%0.50621%0.207SC..THydrogen-bonded Turntrans-69-17.7-167.327.3-36000113.8V104 H105 R110V104-P108 WeakPolarHBondContact O-CA 3.3Å; V104-P108 WeakPolarHBondContact O-CD 3.15Å; H105-P108 WeakPolarHBondContact O-CD 3.29Å; P108-R110 VanDerWaalsContact C-N 3.33Å
109K98.4Very high98.8Very high111 Ų11136.7 Ų36.748%0.48319%0.19SC..THydrogen-bonded Turntrans-83.1-9.9173.6-62.4-168.1178.4-162.30113.6H107 F336 V337H107-K109 PolarHBondContact O-N 2.94Å; H107-K109 VanDerWaalsContact O-N 3.09Å; K109-F336 WeakPolarHBondContact O-CD1 3.35Å; K109-V337 WeakPolarHBondContact CE-O 3.25Å; K109-V337 PolarHBondContact NZ-O 2.87Å
110R98.8Very high98.7Very high50 Ų5035.9 Ų35.919%0.18919%0.185CC..THydrogen-bonded Turntrans-116.8-22.8-174-54.9-53.9-60.8-89.34.6112.7I60 M63 D64 V68 T69 V70 Q71 H107 P108I60-R110 HydrophobicContact CD1-CG 4.4Å; I60-R110 HydrophobicContact CG1-CB 4.49Å; M63-R110 HydrophobicContact CE-CB 4.2Å; M63-R110 WeakPolarHBondContact CE-O 3.38Å; D64-R110 IonicContact OD1-CZ 2.74Å; D64-R110 IonicContact OD1-NH1 2.72Å; D64-R110 PolarHBondContact OD1-NH1 3.37Å; D64-R110 IonicContact OD1-NH2 3.65Å; D64-R110 PolarHBondContact OD1-NH2 2.93Å; D64-R110 IonicContact OD2-NH1 3.74Å; V68-R110 PolarHBondContact O-NH2 2.94Å; V68-R110 VanDerWaalsContact O-NH2 3.08Å; T69-R110 PolarHBondContact O-NE 2.82Å; V70-R110 CarbonylContact C-O 3.58Å; V70-R110 VanDerWaalsContact CA-O 3.25Å; V70-R110 WeakPolarHBondContact CA-O 3.24Å; Q71-R110 PolarHBondContact N-O 3.38Å; H107-R110 HydrophobicContact CB-CB 4.16Å; H107-R110 HydrophobicContact CB-CG 4.4Å; H107-R110 PolarHBondContact O-N 2.76Å; P108-R110 VanDerWaalsContact C-N 3.33Å
111F98.9Very high98.7Very high1 Ų136.4 Ų36.40%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-133.8150.5-175.7-58.7-53.9000112.9A56 R59 I60 M63 Q71 L73 T103 V104 H107A56-F111 HydrophobicContact CB-CE2 4.11Å; R59-F111 HydrophobicContact CB-CZ 4.29Å; I60-F111 HydrophobicContact CD1-CE2 3.91Å; I60-F111 HydrophobicContact CD1-CZ 4.22Å; I60-F111 HydrophobicContact CG1-CE2 4Å; I60-F111 HydrophobicContact CG1-CZ 3.77Å; M63-F111 HydrophobicContact CE-CE1 4.06Å; M63-F111 HydrophobicContact SD-CD1 4.45Å; M63-F111 HydrophobicContact SD-CE1 3.45Å; M63-F111 WeakPolarHBondContact SD-CE1 3.44Å; M63-F111 HydrophobicContact SD-CZ 3.81Å; Q71-F111 HydrophobicContact CB-CD1 3.89Å; Q71-F111 HydrophobicContact CB-CE1 4.03Å; Q71-F111 WeakPolarHBondContact O-CA 3.4Å; L73-F111 HydrophobicContact CD1-CB 3.78Å; L73-F111 HydrophobicContact CD1-CD1 3.82Å; L73-F111 HydrophobicContact CD1-CD2 4.19Å; L73-F111 HydrophobicContact CD1-CE1 4.47Å; L73-F111 HydrophobicContact CD1-CG 3.67Å; L73-F111 HydrophobicContact CD2-CD1 3.63Å; L73-F111 HydrophobicContact CD2-CE1 3.9Å; L73-F111 HydrophobicContact CD2-CG 4.35Å; L73-F111 HydrophobicContact CG-CB 4.08Å; L73-F111 HydrophobicContact CG-CD1 3.76Å; L73-F111 HydrophobicContact CG-CE1 4.48Å; L73-F111 HydrophobicContact CG-CG 4.05Å; T103-F111 HydrophobicContact CG2-CD2 4.03Å; T103-F111 HydrophobicContact CG2-CE2 4.31Å; V104-F111 HydrophobicContact CG2-CB 4Å; H107-F111 HydrophobicContact CB-CD2 3.74Å; H107-F111 HydrophobicContact CB-CE2 3.96Å; H107-F111 PolarHBondContact O-N 3.39Å; H107-F111 VanDerWaalsContact O-N 3.09Å
112V98.9Very high98.7Very high13 Ų1336.7 Ų36.78%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-133.4155.3162.2-62.60000108.6V70 Q71 A72 L73 P139 L329 L331 F336V70-V112 HydrophobicContact CG1-CG1 4.44Å; V70-V112 HydrophobicContact CG1-CG2 4.44Å; Q71-V112 PolarHBondContact O-N 3.44Å; Q71-V112 VanDerWaalsContact O-N 3.11Å; A72-V112 CarbonylContact C-O 3.52Å; A72-V112 WeakPolarHBondContact CA-O 3.35Å; A72-V112 HydrophobicContact CB-CG2 3.76Å; L73-V112 PolarHBondContact N-O 3.5Å; V112-P139 HydrophobicContact CB-CG 4.21Å; V112-P139 HydrophobicContact CG2-CG 4.36Å; V112-L329 HydrophobicContact CG2-CD1 4.05Å; V112-L331 HydrophobicContact CB-CD1 4.44Å; V112-L331 HydrophobicContact CG1-CD1 3.83Å; V112-L331 HydrophobicContact CG2-CD1 4.39Å; V112-F336 HydrophobicContact CG1-CE1 3.81Å; V112-F336 HydrophobicContact CG1-CZ 3.69Å
113G98.8Very high98.7Very high1 Ų136.7 Ų36.71%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-104.1138.8-175.800000113.3F138 P139G113-F138 WeakPolarHBondContact O-CB 3.31Å; G113-P139 VanDerWaalsContact O-CD 3.3Å; G113-P139 WeakPolarHBondContact O-CD 3.3Å
114L98.9Very high98.7Very high1 Ų137.2 Ų37.21%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-110.6104.8164.1-59.4179.9000108.2A72 L73 L100 G140 Q142 F172 L329A72-L114 HydrophobicContact CB-CD1 4.13Å; A72-L114 HydrophobicContact CB-CG 4.24Å; L73-L114 PolarHBondContact O-N 3.15Å; L100-L114 WeakPolarHBondContact CD2-O 3.46Å; L114-G140 WeakPolarHBondContact CA-O 3.31Å; L114-Q142 HydrophobicContact CB-CB 4.43Å; L114-F172 HydrophobicContact CD1-CB 4.01Å; L114-F172 HydrophobicContact CD1-CG 4.45Å; L114-L329 HydrophobicContact CD2-CD2 3.93Å
115G98.9Very high98.7Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-66.6156.5-176.100000113.3N97 G140 V141 Q142N97-G115 WeakPolarHBondContact OD1-CA 3.33Å; G115-G140 PolarHBondContact N-O 3.05Å; G115-V141 CarbonylContact O-C 3.56Å; G115-V141 WeakPolarHBondContact O-CA 3.32Å; G115-V141 VanDerWaalsContact O-CB 3.23Å; G115-V141 WeakPolarHBondContact O-CB 3.16Å; G115-Q142 PolarHBondContact O-N 2.87Å
116T98.9Very high98.8Very high2 Ų229.6 Ų29.61%0.01216%0.162CC..  trans-104.4154.2169.6-171.10000110.8T75 C93 L96 N97T75-T116 HydrophobicContact CG2-CG2 4.04Å; C93-T116 HydrophobicContact CB-CG2 4.1Å; L96-T116 HydrophobicContact CB-CG2 4.18Å; L96-T116 HydrophobicContact CD1-CG2 4.01Å; N97-T116 PolarHBondContact ND2-O 3.01Å; N97-T116 PolarHBondContact OD1-N 3.44Å
117L98.9Very high98.8Very high0 Ų031.5 Ų31.50%017%0.166CC..  trans-136.1150.8-169.9-57.4176.6000112.1Y82 M119 A125 E128 M129 V141 F160Y82-L117 VanDerWaalsContact CE1-O 3.27Å; Y82-L117 WeakPolarHBondContact CE1-O 3.43Å; L117-M119 HydrophobicContact CB-CG 4.17Å; L117-M119 HydrophobicContact CB-SD 3.89Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 PolarHBondContact O-N 3.17Å; L117-A125 HydrophobicContact CB-CB 4.19Å; L117-E128 HydrophobicContact CD2-CB 3.87Å; L117-E128 HydrophobicContact CD2-CG 3.75Å; L117-M129 HydrophobicContact CD1-CB 4.1Å; L117-M129 HydrophobicContact CD1-CE 3.9Å; L117-M129 HydrophobicContact CD2-CB 4.06Å; L117-V141 HydrophobicContact CD1-CB 4.14Å; L117-V141 HydrophobicContact CD1-CG1 4.03Å; L117-V141 HydrophobicContact CD1-CG2 4.04Å; L117-V141 HydrophobicContact CD2-CG1 4.23Å; L117-V141 HydrophobicContact CG-CB 4.37Å; L117-V141 HydrophobicContact CG-CG1 4.14Å; L117-F160 HydrophobicContact CD1-CD2 4.06Å; L117-F160 HydrophobicContact CD1-CE2 3.54Å
118P98.9Very high98.8Very high0 Ų029.5 Ų29.50%016%0.156CC..  trans-76.969.8172.934-38.6000111.8T89 L90 Q120 A121 L124T89-P118 HydrophobicContact CG2-CB 3.85Å; L90-P118 HydrophobicContact CB-CB 4.27Å; L90-P118 HydrophobicContact CB-CG 4.02Å; L90-P118 HydrophobicContact CD1-CG 4.02Å; P118-Q120 PolarHBondContact O-N 2.95Å; P118-A121 PolarHBondContact O-N 2.96Å; P118-L124 HydrophobicContact CG-CB 3.75Å
119M98.8Very high98.8Very high1 Ų125.8 Ų25.81%0.00513%0.132CC..THydrogen-bonded Turntrans-62.1-19.5-167.9-68.3-63.3-68.400115.1Y82 L117 A121 A125 I143 I147 L157 F160Y82-M119 HydrophobicContact CD1-CB 4.05Å; Y82-M119 HydrophobicContact CE1-CB 3.71Å; Y82-M119 HydrophobicContact CE1-CG 3.78Å; Y82-M119 HydrophobicContact CE2-CB 4.32Å; Y82-M119 HydrophobicContact CE2-CG 4.48Å; L117-M119 HydrophobicContact CB-CG 4.17Å; L117-M119 HydrophobicContact CB-SD 3.89Å; L117-M119 HydrophobicContact CD1-SD 3.97Å; L117-M119 PolarHBondContact O-N 3.17Å; M119-A121 PolarHBondContact O-N 3.48Å; M119-A125 HydrophobicContact SD-CB 4.06Å; M119-I143 HydrophobicContact CE-CB 4.45Å; M119-I143 HydrophobicContact CE-CD1 4.14Å; M119-I143 HydrophobicContact CE-CG2 4Å; M119-I143 HydrophobicContact CG-CB 4.38Å; M119-I143 HydrophobicContact CG-CG2 3.98Å; M119-I143 HydrophobicContact SD-CG2 3.74Å; M119-I147 HydrophobicContact CB-CD1 4.46Å; M119-I147 HydrophobicContact CB-CG1 3.54Å; M119-I147 HydrophobicContact CB-CG2 4.21Å; M119-I147 HydrophobicContact CE-CD1 4.42Å; M119-I147 HydrophobicContact CG-CG1 4.44Å; M119-L157 HydrophobicContact CE-CD2 3.99Å; M119-F160 HydrophobicContact CE-CD1 3.86Å; M119-F160 HydrophobicContact CE-CD2 3.77Å; M119-F160 HydrophobicContact CE-CE1 3.85Å; M119-F160 HydrophobicContact CE-CE2 3.76Å; M119-F160 HydrophobicContact CE-CG 3.84Å; M119-F160 HydrophobicContact CE-CZ 3.82Å; M119-F160 HydrophobicContact SD-CD2 3.76Å; M119-F160 HydrophobicContact SD-CE2 3.67Å; M119-F160 HydrophobicContact SD-CG 4.4Å; M119-F160 HydrophobicContact SD-CZ 4.23Å
120Q98.8Very high98.8Very high23 Ų2324.6 Ų24.611%0.10713%0.125CC..THydrogen-bonded Turntrans-72-8.7174.178.1-81.529.800113.6Y82 A84 P86 T89 P118 I147Y82-Q120 WeakPolarHBondContact O-CB 3.18Å; Y82-Q120 WeakPolarHBondContact O-CG 3.26Å; A84-Q120 PolarHBondContact O-NE2 2.88Å; P86-Q120 HydrophobicContact CG-CG 4.23Å; T89-Q120 PolarHBondContact OG1-NE2 3.42Å; P118-Q120 PolarHBondContact O-N 2.95Å; Q120-I147 HydrophobicContact CB-CG2 3.95Å
121A98.8Very high98.9Very high18 Ų1824.1 Ų24.115%0.14912%0.123CC..SBendtrans-130.390.9173.200000110.5P86 P118 M119 D123 L124 A125P86-A121 HydrophobicContact CB-CB 3.63Å; P86-A121 HydrophobicContact CG-CB 4.06Å; P118-A121 PolarHBondContact O-N 2.96Å; M119-A121 PolarHBondContact O-N 3.48Å; A121-D123 VanDerWaalsContact C-N 3.28Å; A121-D123 PolarHBondContact O-N 3.39Å; A121-D123 VanDerWaalsContact O-N 3.14Å; A121-L124 HydrophobicContact CB-CB 4.13Å; A121-L124 HydrophobicContact CB-CD1 3.96Å; A121-L124 HydrophobicContact CB-CG 4.05Å; A121-L124 PolarHBondContact O-N 2.73Å; A121-A125 PolarHBondContact O-N 3.49Å
122P98.4Very high98.9Very high23 Ų2324.1 Ų24.115%0.14912%0.123CC..Hα-helixtrans-52.1-39.5-172.7-29.935.4000114.9L124 A125 V126 N156P122-L124 PolarHBondContact O-N 3.24Å; P122-A125 PolarHBondContact O-N 2.95Å; P122-V126 VanDerWaalsContact O-CG2 3.32Å; P122-V126 WeakPolarHBondContact O-CG2 3.43Å; P122-V126 PolarHBondContact O-N 3.19Å; P122-N156 VanDerWaalsContact CB-O 3.3Å; P122-N156 WeakPolarHBondContact CB-O 3.49Å; P122-N156 HydrophobicContact CG-CB 4.3Å; P122-N156 WeakPolarHBondContact CG-O 3.3Å
123D98.6Very high98.9Very high131 Ų13124.8 Ų24.870%0.70113%0.127SC*.Hα-helixtrans-64.2-40.6178.3-64.4-23.5000112.1A121 L127A121-D123 VanDerWaalsContact C-N 3.28Å; A121-D123 PolarHBondContact O-N 3.39Å; A121-D123 VanDerWaalsContact O-N 3.14Å; D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 2.88Å
124L98.9Very high98.9Very high30 Ų3031.7 Ų31.716%0.15716%0.157CC..Hα-helixtrans-71.5-36.7175.5-59.5-175.9000111.4P86 L90 P118 A121 P122 L127 E128P86-L124 HydrophobicContact CB-CD1 3.83Å; L90-L124 HydrophobicContact CD2-CB 4.46Å; L90-L124 HydrophobicContact CD2-CD1 4.31Å; L90-L124 HydrophobicContact CD2-CD2 4.14Å; P118-L124 HydrophobicContact CG-CB 3.75Å; A121-L124 HydrophobicContact CB-CB 4.13Å; A121-L124 HydrophobicContact CB-CD1 3.96Å; A121-L124 HydrophobicContact CB-CG 4.05Å; A121-L124 PolarHBondContact O-N 2.73Å; P122-L124 PolarHBondContact O-N 3.24Å; L124-L127 PolarHBondContact O-N 3.18Å; L124-E128 PolarHBondContact O-N 3.44Å
125A98.9Very high98.8Very high0 Ų038.6 Ų38.60%019%0.189CC..Hα-helixtrans-64-41.8175.800000111.7L117 M119 A121 P122 M129L117-A125 HydrophobicContact CB-CB 4.19Å; M119-A125 HydrophobicContact SD-CB 4.06Å; A121-A125 PolarHBondContact O-N 3.49Å; P122-A125 PolarHBondContact O-N 2.95Å; A125-M129 VanDerWaalsContact O-CB 3.26Å; A125-M129 WeakPolarHBondContact O-CB 3.46Å; A125-M129 PolarHBondContact O-N 3.02Å
126V98.9Very high98.8Very high23 Ų2340.5 Ų40.514%0.13920%0.199CC..Hα-helixtrans-64.9-42.6174.4169.60000111.1P122 M129 R130 P159 A163P122-V126 VanDerWaalsContact O-CG2 3.32Å; P122-V126 WeakPolarHBondContact O-CG2 3.43Å; P122-V126 PolarHBondContact O-N 3.19Å; V126-M129 PolarHBondContact O-N 2.79Å; V126-R130 WeakPolarHBondContact O-CG 3.3Å; V126-R130 PolarHBondContact O-N 3.45Å; V126-P159 HydrophobicContact CG2-CB 4.37Å; V126-A163 HydrophobicContact CB-CB 4.39Å; V126-A163 HydrophobicContact CG1-CB 3.77Å; V126-A163 HydrophobicContact CG2-CB 3.91Å
127L98.9Very high98.8Very high108 Ų10843.1 Ų43.157%0.56523%0.227SC*.Hα-helixtrans-59-51.3176.5-17967.1000111.3D123 L124 M129 R130 R131D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 2.88Å; L124-L127 PolarHBondContact O-N 3.18Å; L127-M129 PolarHBondContact O-N 3.44Å; L127-R130 PolarHBondContact O-N 2.88Å; L127-R131 PolarHBondContact O-N 2.81Å; L127-R131 VanDerWaalsContact O-N 3.12Å
128E98.9Very high98.8Very high5 Ų543.3 Ų43.32%0.02323%0.228CC..Hα-helixtrans-68.8-34.2-179.3-178.160.2-17600112.2L90 C93 N97 L117 L124 R130 R131 C132L90-E128 HydrophobicContact CD1-CB 3.82Å; L90-E128 HydrophobicContact CD1-CG 4.19Å; C93-E128 HydrophobicContact CB-CG 4.48Å; N97-E128 PolarHBondContact ND2-OE1 3.28Å; L117-E128 HydrophobicContact CD2-CB 3.87Å; L117-E128 HydrophobicContact CD2-CG 3.75Å; L124-E128 PolarHBondContact O-N 3.44Å; E128-R130 PolarHBondContact O-N 3.47Å; E128-R131 WeakPolarHBondContact O-CB 2.97Å; E128-R131 PolarHBondContact O-N 2.79Å; E128-R131 IonicContact OE1-CZ 2.75Å; E128-R131 IonicContact OE1-NE 2.73Å; E128-R131 PolarHBondContact OE1-NE 2.86Å; E128-R131 IonicContact OE1-NH2 2.79Å; E128-R131 PolarHBondContact OE1-NH2 2.94Å; E128-R131 IonicContact OE2-CZ 3.19Å; E128-R131 IonicContact OE2-NE 3.91Å; E128-R131 PolarHBondContact OE2-NE 2.89Å; E128-R131 IonicContact OE2-NH2 3.26Å; E128-C132 WeakPolarHBondContact O-CB 3.12Å; E128-C132 PolarHBondContact O-N 3.04Å; E128-C132 PolarHBondContact O-SG 3.29Å; E128-C132 VanDerWaalsContact O-SG 3.38Å
129M98.9Very high98.8Very high0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-61.3-44.3173.1-177.7-166.6-66.500111.4L117 A125 V126 L127 R131 C132 V133 V141 F160 A163 A164 L167 C169L117-M129 HydrophobicContact CD1-CB 4.1Å; L117-M129 HydrophobicContact CD1-CE 3.9Å; L117-M129 HydrophobicContact CD2-CB 4.06Å; A125-M129 VanDerWaalsContact O-CB 3.26Å; A125-M129 WeakPolarHBondContact O-CB 3.46Å; A125-M129 PolarHBondContact O-N 3.02Å; V126-M129 PolarHBondContact O-N 2.79Å; L127-M129 PolarHBondContact O-N 3.44Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 2.86Å; M129-C132 PolarHBondContact O-N 3.01Å; M129-V133 HydrophobicContact CG-CG2 4.45Å; M129-V133 WeakPolarHBondContact O-CG2 3.18Å; M129-V133 PolarHBondContact O-N 3.44Å; M129-V141 HydrophobicContact CE-CG2 4.4Å; M129-V141 HydrophobicContact CG-CG1 4.41Å; M129-F160 HydrophobicContact CE-CD2 3.19Å; M129-F160 HydrophobicContact CE-CE2 3.01Å; M129-F160 HydrophobicContact CE-CG 4.18Å; M129-F160 HydrophobicContact CE-CZ 3.91Å; M129-A163 HydrophobicContact SD-CB 4.22Å; M129-A164 HydrophobicContact CE-CB 3.88Å; M129-A164 VanDerWaalsContact SD-CA 3.57Å; M129-A164 HydrophobicContact SD-CB 3.87Å; M129-L167 HydrophobicContact CG-CD1 3.92Å; M129-L167 HydrophobicContact SD-CD1 3.82Å; M129-C169 HydrophobicContact CG-CB 4.42Å; M129-C169 HydrophobicContact SD-CB 4.14Å
130R98.9Very high98.8Very high86 Ų8644.2 Ų44.233%0.32523%0.233SC..Hα-helixtrans-60.1-41.3175.9-74.9-178.4-173.1-79.1-1.7110.8V126 L127 E128 V133 K134 E166 L167V126-R130 WeakPolarHBondContact O-CG 3.3Å; V126-R130 PolarHBondContact O-N 3.45Å; L127-R130 PolarHBondContact O-N 2.88Å; E128-R130 PolarHBondContact O-N 3.47Å; R130-V133 PolarHBondContact O-N 3.48Å; R130-K134 WeakPolarHBondContact O-CB 3.19Å; R130-K134 VanDerWaalsContact O-CG 3.3Å; R130-K134 WeakPolarHBondContact O-CG 3.43Å; R130-K134 PolarHBondContact O-N 2.95Å; R130-E166 IonicContact CZ-OE1 3.85Å; R130-E166 IonicContact CZ-OE2 2.7Å; R130-E166 IonicContact NH1-OE1 3.43Å; R130-E166 PolarHBondContact NH1-OE1 2.85Å; R130-E166 IonicContact NH1-OE2 3.89Å; R130-E166 IonicContact NH2-OE1 3.92Å; R130-E166 PolarHBondContact NH2-OE1 3.26Å; R130-E166 IonicContact NH2-OE2 2.76Å; R130-E166 PolarHBondContact NH2-OE2 2.74Å; R130-L167 HydrophobicContact CG-CD1 3.83Å; R130-L167 HydrophobicContact CG-CD2 4.42Å
131R98.9Very high98.8Very high41 Ų4143.1 Ų43.116%0.15523%0.228CC..Hα-helixtrans-62.1-50.4174.6-161.9-172.371.490.9-3.8112N98 L127 E128 M129 V133 K134 E135 L136N98-R131 PolarHBondContact OD1-NH1 3.42Å; N98-R131 PolarHBondContact OD1-NH2 3.48Å; L127-R131 PolarHBondContact O-N 2.81Å; L127-R131 VanDerWaalsContact O-N 3.12Å; E128-R131 WeakPolarHBondContact O-CB 2.97Å; E128-R131 PolarHBondContact O-N 2.79Å; E128-R131 IonicContact OE1-CZ 2.75Å; E128-R131 IonicContact OE1-NE 2.73Å; E128-R131 PolarHBondContact OE1-NE 2.86Å; E128-R131 IonicContact OE1-NH2 2.79Å; E128-R131 PolarHBondContact OE1-NH2 2.94Å; E128-R131 IonicContact OE2-CZ 3.19Å; E128-R131 IonicContact OE2-NE 3.91Å; E128-R131 PolarHBondContact OE2-NE 2.89Å; E128-R131 IonicContact OE2-NH2 3.26Å; M129-R131 VanDerWaalsContact C-N 3.28Å; M129-R131 PolarHBondContact O-N 2.86Å; R131-V133 VanDerWaalsContact C-N 3.32Å; R131-V133 PolarHBondContact O-N 3.39Å; R131-K134 PolarHBondContact O-N 3.41Å; R131-E135 HydrophobicContact CG-CB 4.24Å; R131-E135 HydrophobicContact CG-CG 4.28Å; R131-E135 WeakPolarHBondContact CG-OE2 3.23Å; R131-E135 WeakPolarHBondContact O-CA 3.25Å; R131-E135 WeakPolarHBondContact O-CB 3.38Å; R131-E135 PolarHBondContact O-N 2.89Å; R131-L136 PolarHBondContact O-N 3.04Å
132C98.9Very high98.8Very high0 Ų042.3 Ų42.30%022%0.221CC..Hα-helixtrans-53-47.6176.7-77.80000112.2N97 E128 M129 L136 G137 F138N97-C132 PolarHBondContact ND2-SG 3.37Å; E128-C132 WeakPolarHBondContact O-CB 3.12Å; E128-C132 PolarHBondContact O-N 3.04Å; E128-C132 PolarHBondContact O-SG 3.29Å; E128-C132 VanDerWaalsContact O-SG 3.38Å; M129-C132 PolarHBondContact O-N 3.01Å; C132-L136 CarbonylContact O-C 3.44Å; C132-L136 WeakPolarHBondContact O-CB 3.18Å; C132-L136 PolarHBondContact O-N 3.49Å; C132-G137 PolarHBondContact O-N 3.45Å; C132-G137 VanDerWaalsContact O-N 3.1Å; C132-F138 HydrophobicContact CB-CB 4.37Å; C132-F138 HydrophobicContact CB-CD2 3.84Å; C132-F138 WeakPolarHBondContact O-CB 3.26Å; C132-F138 PolarHBondContact O-N 2.91Å
133V98.9Very high98.9Very high27 Ų2741.2 Ų41.216%0.16421%0.214CC..Hα-helixtrans-76.5-46.7-177.4176.90000112M129 R130 R131 L167 C169M129-V133 HydrophobicContact CG-CG2 4.45Å; M129-V133 WeakPolarHBondContact O-CG2 3.18Å; M129-V133 PolarHBondContact O-N 3.44Å; R130-V133 PolarHBondContact O-N 3.48Å; R131-V133 VanDerWaalsContact C-N 3.32Å; R131-V133 PolarHBondContact O-N 3.39Å; V133-L167 HydrophobicContact CG1-CB 4.37Å; V133-L167 HydrophobicContact CG1-CD2 4.43Å; V133-L167 HydrophobicContact CG2-CD1 4.35Å; V133-C169 HydrophobicContact CG2-CB 3.85Å
134K98.8Very high98.9Very high146 Ų14635 Ų3564%0.63518%0.182SC*.Hα-helixtrans-85.8-30.4-170-61.8-59.6-171.3-168.80114R130 R131 L167R130-K134 WeakPolarHBondContact O-CB 3.19Å; R130-K134 VanDerWaalsContact O-CG 3.3Å; R130-K134 WeakPolarHBondContact O-CG 3.43Å; R130-K134 PolarHBondContact O-N 2.95Å; R131-K134 PolarHBondContact O-N 3.41Å; K134-L167 HydrophobicContact CD-CD2 4.43Å; K134-L167 VanDerWaalsContact CE-CD2 3.46Å
135E98.7Very high98.9Very high146 Ų14633.6 Ų33.668%0.68217%0.174SC*.THydrogen-bonded Turntrans-107.9-43.3-175.5-59.7176.6-15400111.8R131R131-E135 HydrophobicContact CG-CB 4.24Å; R131-E135 HydrophobicContact CG-CG 4.28Å; R131-E135 WeakPolarHBondContact CG-OE2 3.23Å; R131-E135 WeakPolarHBondContact O-CA 3.25Å; R131-E135 WeakPolarHBondContact O-CB 3.38Å; R131-E135 PolarHBondContact O-N 2.89Å
136L98.8Very high98.9Very high40 Ų4034.9 Ų34.921%0.20918%0.18CC..SBendtrans-88.2-12.2-179.4-52.4-176.4000113.4N97 A101 R131 C132 F138N97-L136 HydrophobicContact CB-CD1 3.83Å; A101-L136 HydrophobicContact CB-CB 4.15Å; A101-L136 HydrophobicContact CB-CD1 4.23Å; A101-L136 HydrophobicContact CB-CD2 3.89Å; A101-L136 HydrophobicContact CB-CG 4.32Å; R131-L136 PolarHBondContact O-N 3.04Å; C132-L136 CarbonylContact O-C 3.44Å; C132-L136 WeakPolarHBondContact O-CB 3.18Å; C132-L136 PolarHBondContact O-N 3.49Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 HydrophobicContact CB-CD1 4.12Å; L136-F138 HydrophobicContact CB-CD2 4.25Å; L136-F138 HydrophobicContact CB-CE1 4.05Å; L136-F138 HydrophobicContact CB-CE2 4.17Å; L136-F138 HydrophobicContact CB-CG 4.23Å; L136-F138 HydrophobicContact CB-CZ 4.07Å; L136-F138 HydrophobicContact CD1-CD2 4.29Å; L136-F138 HydrophobicContact CD1-CE2 3.7Å; L136-F138 HydrophobicContact CD1-CZ 3.94Å; L136-F138 PolarHBondContact O-N 2.97Å
137G98.7Very high98.9Very high58 Ų5833.8 Ų33.860%0.59817%0.173SC*.  trans69.724.2179.100000113.9C132C132-G137 PolarHBondContact O-N 3.45Å; C132-G137 VanDerWaalsContact O-N 3.1Å
138F98.9Very high98.9Very high4 Ų431.7 Ų31.72%0.01816%0.163CC..  trans-71.7131.2178.1-67.5-13.7000111.3N97 L100 A101 G113 C132 L136 G140N97-F138 HydrophobicContact CB-CE2 4.11Å; N97-F138 WeakPolarHBondContact O-CZ 3.08Å; L100-F138 HydrophobicContact CB-CZ 3.92Å; L100-F138 HydrophobicContact CD2-CE2 4.06Å; L100-F138 HydrophobicContact CD2-CZ 3.96Å; L100-F138 HydrophobicContact CG-CZ 4.09Å; A101-F138 HydrophobicContact CB-CE1 3.94Å; A101-F138 HydrophobicContact CB-CZ 3.8Å; G113-F138 WeakPolarHBondContact O-CB 3.31Å; C132-F138 HydrophobicContact CB-CB 4.37Å; C132-F138 HydrophobicContact CB-CD2 3.84Å; C132-F138 WeakPolarHBondContact O-CB 3.26Å; C132-F138 PolarHBondContact O-N 2.91Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 HydrophobicContact CB-CD1 4.12Å; L136-F138 HydrophobicContact CB-CD2 4.25Å; L136-F138 HydrophobicContact CB-CE1 4.05Å; L136-F138 HydrophobicContact CB-CE2 4.17Å; L136-F138 HydrophobicContact CB-CG 4.23Å; L136-F138 HydrophobicContact CB-CZ 4.07Å; L136-F138 HydrophobicContact CD1-CD2 4.29Å; L136-F138 HydrophobicContact CD1-CE2 3.7Å; L136-F138 HydrophobicContact CD1-CZ 3.94Å; L136-F138 PolarHBondContact O-N 2.97Å; F138-G140 PolarHBondContact O-N 3.14Å
139P98.9Very high98.8Very high19 Ų1939.2 Ų39.212%0.12320%0.203CC..SBendtrans-71.1-14.1174.229.5-39000113.6V112 G113 S170 L329 L331V112-P139 HydrophobicContact CB-CG 4.21Å; V112-P139 HydrophobicContact CG2-CG 4.36Å; G113-P139 VanDerWaalsContact O-CD 3.3Å; G113-P139 WeakPolarHBondContact O-CD 3.3Å; P139-S170 PolarHBondContact O-N 3.48Å; P139-L329 HydrophobicContact CB-CB 3.98Å; P139-L329 HydrophobicContact CB-CD2 4.05Å; P139-L329 VanDerWaalsContact CB-O 3.24Å; P139-L329 WeakPolarHBondContact CB-O 3.46Å; P139-L329 HydrophobicContact CG-CB 4.36Å; P139-L329 HydrophobicContact CG-CD2 3.88Å; P139-L331 HydrophobicContact CB-CD1 4.32Å; P139-L331 HydrophobicContact CB-CD2 4.48Å; P139-L331 HydrophobicContact CB-CG 4.39Å; P139-L331 HydrophobicContact CG-CD1 4.23Å
140G98.9Very high98.8Very high0 Ų042.8 Ų42.80%022%0.217CC..EExtended strand (participates in β ladder)trans-168.7-174.6-173.700000114.4L114 G115 F138 S170L114-G140 WeakPolarHBondContact CA-O 3.31Å; G115-G140 PolarHBondContact N-O 3.05Å; F138-G140 PolarHBondContact O-N 3.14Å; G140-S170 CarbonylContact C-O 3.2Å; G140-S170 WeakPolarHBondContact CA-O 3.14Å
141V98.9Very high98.8Very high0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-135.9153.2178.3-65.20000110.7G115 L117 M129 I143 F160 S170 I171 F172G115-V141 CarbonylContact O-C 3.56Å; G115-V141 WeakPolarHBondContact O-CA 3.32Å; G115-V141 VanDerWaalsContact O-CB 3.23Å; G115-V141 WeakPolarHBondContact O-CB 3.16Å; L117-V141 HydrophobicContact CD1-CB 4.14Å; L117-V141 HydrophobicContact CD1-CG1 4.03Å; L117-V141 HydrophobicContact CD1-CG2 4.04Å; L117-V141 HydrophobicContact CD2-CG1 4.23Å; L117-V141 HydrophobicContact CG-CB 4.37Å; L117-V141 HydrophobicContact CG-CG1 4.14Å; M129-V141 HydrophobicContact CE-CG2 4.4Å; M129-V141 HydrophobicContact CG-CG1 4.41Å; V141-I143 HydrophobicContact CG2-CG2 4.47Å; V141-F160 HydrophobicContact CG2-CE2 4.38Å; V141-F160 HydrophobicContact CG2-CZ 4.44Å; V141-S170 PolarHBondContact N-O 2.81Å; V141-I171 HydrophobicContact CG2-CG1 4.32Å; V141-F172 PolarHBondContact O-N 3.43Å
142Q98.9Very high98.8Very high1 Ų139.1 Ų39.11%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-106.5131.7169.1178.4-179.3-93.100110.3H8 S74 T75 F80 L114 G115 F172 H174H8-Q142 PolarHBondContact CE1-OE1 2.92Å; S74-Q142 VanDerWaalsContact OG-CD 3.23Å; S74-Q142 PolarHBondContact OG-NE2 2.98Å; S74-Q142 PolarHBondContact OG-OE1 2.82Å; T75-Q142 PolarHBondContact O-NE2 2.84Å; F80-Q142 HydrophobicContact CE1-CG 4.05Å; F80-Q142 HydrophobicContact CZ-CG 3.86Å; L114-Q142 HydrophobicContact CB-CB 4.43Å; G115-Q142 PolarHBondContact O-N 2.87Å; Q142-F172 CarbonylContact C-O 3.58Å; Q142-F172 VanDerWaalsContact CA-O 3.25Å; Q142-F172 WeakPolarHBondContact CA-O 3.44Å; Q142-F172 HydrophobicContact CB-CD1 4.47Å; Q142-F172 HydrophobicContact CG-CD1 3.94Å; Q142-H174 HydrophobicContact CG-CB 4.2Å
143I98.9Very high98.8Very high1 Ų142 Ų421%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-127.2169.5176.668.6169.7000111.5Y82 M119 V141 L152 F160 I171 F172 V173 H174Y82-I143 WeakPolarHBondContact OH-CA 3.46Å; M119-I143 HydrophobicContact CE-CB 4.45Å; M119-I143 HydrophobicContact CE-CD1 4.14Å; M119-I143 HydrophobicContact CE-CG2 4Å; M119-I143 HydrophobicContact CG-CB 4.38Å; M119-I143 HydrophobicContact CG-CG2 3.98Å; M119-I143 HydrophobicContact SD-CG2 3.74Å; V141-I143 HydrophobicContact CG2-CG2 4.47Å; I143-L152 HydrophobicContact CD1-CD2 4.26Å; I143-F160 HydrophobicContact CD1-CE1 4.08Å; I143-F160 HydrophobicContact CD1-CZ 4.06Å; I143-F160 HydrophobicContact CG2-CE2 4.3Å; I143-F160 HydrophobicContact CG2-CZ 4Å; I143-I171 HydrophobicContact CD1-CG2 3.71Å; I143-I171 HydrophobicContact CG1-CG2 3.77Å; I143-F172 PolarHBondContact N-O 3.19Å; I143-V173 HydrophobicContact CD1-CG2 4.25Å; I143-V173 HydrophobicContact CG1-CG2 4.07Å; I143-H174 PolarHBondContact O-N 3.38Å
144G98.9Very high98.8Very high1 Ų141.6 Ų41.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-79.6163174.300000112.8Y82 H146 H174Y82-G144 PolarHBondContact OH-N 3.4Å; G144-H146 PolarHBondContact O-N 3.27Å; G144-H174 CarbonylContact C-O 3.59Å; G144-H174 VanDerWaalsContact CA-O 3.3Å; G144-H174 WeakPolarHBondContact CA-O 3.45Å
145S98.9Very high98.8Very high0 Ų039 Ų390%022%0.22CC..SBendtrans-62.4-25.3171.245.50000113.4L152 H174 P175 W176 E198S145-L152 WeakPolarHBondContact O-CG 2.84Å; S145-H174 PolarHBondContact N-O 3.41Å; S145-P175 WeakPolarHBondContact OG-CA 3.4Å; S145-W176 PolarHBondContact OG-N 3.34Å; S145-W176 PolarHBondContact OG-O 2.96Å; S145-E198 WeakPolarHBondContact CB-OE2 3.45Å; S145-E198 PolarHBondContact OG-OE2 3.03Å
146H98.9Very high98.8Very high26 Ų2635.3 Ų35.312%0.1221%0.206CC..EExtended strand (participates in β ladder)trans-150.6169.3172.268.1-95.8000110.2G144 N148 W150 W176 D177 E198G144-H146 PolarHBondContact O-N 3.27Å; H146-N148 PolarHBondContact CD2-O 3.12Å; H146-W150 WeakPolarHBondContact CA-O 3.45Å; H146-W150 WeakPolarHBondContact CB-O 3.45Å; H146-W176 PolarHBondContact CE1-O 3.06Å; H146-D177 IonicContact NE2-OD2 3.23Å; H146-E198 IonicContact CE1-OE2 3.67Å; H146-E198 PolarHBondContact CE1-OE2 3.15Å; H146-E198 IonicContact CG-OE2 3.27Å; H146-E198 IonicContact ND1-OE1 2.82Å; H146-E198 IonicContact ND1-OE2 3.38Å; H146-E198 PolarHBondContact ND1-OE2 2.77Å
147I98.8Very high98.8Very high0 Ų033.5 Ų33.50%020%0.196CC..EExtended strand (participates in β ladder)trans-12696179.9-61.167.1000108.2Y82 M119 Q120 N149 W150 L152 L157Y82-I147 HydrophobicContact CD2-CB 4.43Å; Y82-I147 HydrophobicContact CD2-CG1 4.2Å; Y82-I147 HydrophobicContact CD2-CG2 4.35Å; Y82-I147 HydrophobicContact CE2-CG1 4.25Å; Y82-I147 HydrophobicContact CG-CG2 4.36Å; M119-I147 HydrophobicContact CB-CD1 4.46Å; M119-I147 HydrophobicContact CB-CG1 3.54Å; M119-I147 HydrophobicContact CB-CG2 4.21Å; M119-I147 HydrophobicContact CE-CD1 4.42Å; M119-I147 HydrophobicContact CG-CG1 4.44Å; Q120-I147 HydrophobicContact CB-CG2 3.95Å; I147-N149 PolarHBondContact O-N 3.32Å; I147-N149 VanDerWaalsContact O-N 3.11Å; I147-W150 HydrophobicContact CB-CB 4.35Å; I147-W150 HydrophobicContact CB-CE3 4.33Å; I147-W150 HydrophobicContact CG2-CE3 4.01Å; I147-W150 HydrophobicContact CG2-CZ3 4.47Å; I147-W150 PolarHBondContact N-O 3.38Å; I147-W150 WeakPolarHBondContact O-CB 3.28Å; I147-W150 PolarHBondContact O-N 3.33Å; I147-L152 HydrophobicContact CD1-CD2 3.68Å; I147-L157 HydrophobicContact CD1-CD1 3.92Å; I147-L157 HydrophobicContact CD1-CD2 4.47Å; I147-L157 HydrophobicContact CG1-CD2 4.49Å
148N98.5Very high98.8Very high65 Ų6532.6 Ų32.635%0.34818%0.177SC..THydrogen-bonded Turntrans52.2-117.2-172.5-54.6-51.9000110.4Y82 H146 W150Y82-N148 PolarHBondContact O-ND2 2.61Å; Y82-N148 PolarHBondContact O-OD1 3.09Å; H146-N148 PolarHBondContact CD2-O 3.12Å; N148-W150 VanDerWaalsContact C-N 3.3Å; N148-W150 PolarHBondContact O-N 2.85Å
149N98Very high98.7Very high162 Ų16235.2 Ų35.287%0.86620%0.195SC*.THydrogen-bonded Turntrans-87.46.4177.9-62.5-36000113.9I147I147-N149 PolarHBondContact O-N 3.32Å; I147-N149 VanDerWaalsContact O-N 3.11Å
150W98.8Very high98.7Very high75 Ų7534.3 Ų34.328%0.28419%0.189SC..EExtended strand (participates in β ladder)trans-101.8111.5179.8-57.9-20.3000110.7H146 I147 N148 N156 L157H146-W150 WeakPolarHBondContact CA-O 3.45Å; H146-W150 WeakPolarHBondContact CB-O 3.45Å; I147-W150 HydrophobicContact CB-CB 4.35Å; I147-W150 HydrophobicContact CB-CE3 4.33Å; I147-W150 HydrophobicContact CG2-CE3 4.01Å; I147-W150 HydrophobicContact CG2-CZ3 4.47Å; I147-W150 PolarHBondContact N-O 3.38Å; I147-W150 WeakPolarHBondContact O-CB 3.28Å; I147-W150 PolarHBondContact O-N 3.33Å; N148-W150 VanDerWaalsContact C-N 3.3Å; N148-W150 PolarHBondContact O-N 2.85Å; W150-N156 HydrophobicContact CD2-CB 4.37Å; W150-N156 HydrophobicContact CE3-CB 4.16Å; W150-N156 HydrophobicContact CH2-CB 4.12Å; W150-N156 HydrophobicContact CZ2-CB 4.32Å; W150-N156 WeakPolarHBondContact CZ2-ND2 3.45Å; W150-N156 HydrophobicContact CZ3-CB 4.03Å; W150-L157 HydrophobicContact CE3-CD2 4.48Å
151D98.9Very high98.8Very high50 Ų5034.3 Ų34.327%0.26719%0.189SC..EExtended strand (participates in β ladder)trans-65.9164.7158.5-82.3-68.9000111.3N153 S154 S205D151-N153 WeakPolarHBondContact CB-OD1 3.47Å; D151-N153 PolarHBondContact O-N 3.32Å; D151-S154 VanDerWaalsContact O-CB 3.23Å; D151-S154 WeakPolarHBondContact O-CB 3.22Å; D151-S154 PolarHBondContact O-N 2.81Å; D151-S205 PolarHBondContact OD1-OG 2.7Å
152L98.9Very high98.7Very high0 Ų036.2 Ų36.20%020%0.204CC..THydrogen-bonded Turntrans-68.3-0.2-177.6-59.8-170.5000114.8I143 S145 I147 L157 Y161 V173 A202 M206I143-L152 HydrophobicContact CD1-CD2 4.26Å; S145-L152 WeakPolarHBondContact O-CG 2.84Å; I147-L152 HydrophobicContact CD1-CD2 3.68Å; L152-L157 HydrophobicContact CD2-CD1 4.04Å; L152-Y161 WeakPolarHBondContact CB-OH 3.34Å; L152-Y161 PolarHBondContact O-OH 3.35Å; L152-V173 HydrophobicContact CD1-CG1 3.93Å; L152-V173 HydrophobicContact CD1-CG2 4.16Å; L152-A202 HydrophobicContact CD1-CB 3.87Å; L152-A202 HydrophobicContact CG-CB 4.4Å; L152-M206 HydrophobicContact CB-CG 3.46Å; L152-M206 VanDerWaalsContact CB-CG 3.46Å; L152-M206 HydrophobicContact CB-SD 4.15Å; L152-M206 HydrophobicContact CD1-CG 4.03Å; L152-M206 HydrophobicContact CD1-SD 3.71Å; L152-M206 HydrophobicContact CG-CG 4.4Å
153N98.7Very high98.7Very high61 Ų6136.3 Ų36.333%0.32621%0.205SC..THydrogen-bonded Turntrans-87.8-7.7168.274.6-47.5000113.5D151 S155 S205D151-N153 WeakPolarHBondContact CB-OD1 3.47Å; D151-N153 PolarHBondContact O-N 3.32Å; N153-S155 PolarHBondContact O-N 2.77Å; N153-S205 VanDerWaalsContact CB-O 3.27Å; N153-S205 WeakPolarHBondContact CB-O 3.47Å
154S98.8Very high98.7Very high18 Ų1836.3 Ų36.313%0.12621%0.205CC..  trans-56.3131.7-174.2179.70000111.9D151 N156 L157D151-S154 VanDerWaalsContact O-CB 3.23Å; D151-S154 WeakPolarHBondContact O-CB 3.22Å; D151-S154 PolarHBondContact O-N 2.81Å; S154-N156 PolarHBondContact O-N 3.42Å; S154-N156 VanDerWaalsContact O-N 3.13Å; S154-N156 PolarHBondContact OG-N 3.3Å; S154-L157 PolarHBondContact O-N 3.38Å
155S98.4Very high98.7Very high91 Ų9138.7 Ų38.764%0.63622%0.216SC*.G310 helixtrans-61.1-23.6178.157.70000112.8N153 L157 I158N153-S155 PolarHBondContact O-N 2.77Å; S155-L157 PolarHBondContact O-N 3.08Å; S155-I158 WeakPolarHBondContact O-CB 3.19Å; S155-I158 VanDerWaalsContact O-CG1 3.24Å; S155-I158 WeakPolarHBondContact O-CG1 3.14Å; S155-I158 PolarHBondContact O-N 3.11Å
156N98.5Very high98.7Very high70 Ų7044.9 Ų44.937%0.37425%0.245SC..G310 helixtrans-63.4-24.9174.3-65.9-38.1000112.5P122 W150 S154 P159P122-N156 VanDerWaalsContact CB-O 3.3Å; P122-N156 WeakPolarHBondContact CB-O 3.49Å; P122-N156 HydrophobicContact CG-CB 4.3Å; P122-N156 WeakPolarHBondContact CG-O 3.3Å; W150-N156 HydrophobicContact CD2-CB 4.37Å; W150-N156 HydrophobicContact CE3-CB 4.16Å; W150-N156 HydrophobicContact CH2-CB 4.12Å; W150-N156 HydrophobicContact CZ2-CB 4.32Å; W150-N156 WeakPolarHBondContact CZ2-ND2 3.45Å; W150-N156 HydrophobicContact CZ3-CB 4.03Å; S154-N156 PolarHBondContact O-N 3.42Å; S154-N156 VanDerWaalsContact O-N 3.13Å; S154-N156 PolarHBondContact OG-N 3.3Å; N156-P159 WeakPolarHBondContact O-CD 3.37Å
157L98.8Very high98.7Very high1 Ų144.7 Ų44.71%0.00525%0.245CC..G310 helixtrans-89.6-4.1-178.7-59.3177.5000113.3M119 I147 W150 L152 S154 S155 F160 Y161M119-L157 HydrophobicContact CE-CD2 3.99Å; I147-L157 HydrophobicContact CD1-CD1 3.92Å; I147-L157 HydrophobicContact CD1-CD2 4.47Å; I147-L157 HydrophobicContact CG1-CD2 4.49Å; W150-L157 HydrophobicContact CE3-CD2 4.48Å; L152-L157 HydrophobicContact CD2-CD1 4.04Å; S154-L157 PolarHBondContact O-N 3.38Å; S155-L157 PolarHBondContact O-N 3.08Å; L157-F160 WeakPolarHBondContact O-CB 3.4Å; L157-F160 PolarHBondContact O-N 2.78Å; L157-F160 VanDerWaalsContact O-N 3.09Å; L157-Y161 HydrophobicContact CB-CD2 4.24Å; L157-Y161 HydrophobicContact CB-CE2 3.55Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.32Å; L157-Y161 VanDerWaalsContact O-N 3.07Å
158I98.8Very high98.7Very high40 Ų4046.9 Ų46.921%0.20527%0.267CS..Hα-helixtrans-58-43.8179.5-62.2-65.3000112.8S155 F160 Y161 A162 I211 K214 F215S155-I158 WeakPolarHBondContact O-CB 3.19Å; S155-I158 VanDerWaalsContact O-CG1 3.24Å; S155-I158 WeakPolarHBondContact O-CG1 3.14Å; S155-I158 PolarHBondContact O-N 3.11Å; I158-F160 VanDerWaalsContact C-N 3.27Å; I158-F160 PolarHBondContact O-N 3Å; I158-Y161 HydrophobicContact CD1-CD2 4.48Å; I158-Y161 PolarHBondContact O-N 2.95Å; I158-A162 WeakPolarHBondContact O-CB 3.34Å; I158-A162 PolarHBondContact O-N 3.16Å; I158-I211 HydrophobicContact CD1-CD1 3.88Å; I158-K214 HydrophobicContact CD1-CD 4.13Å; I158-K214 HydrophobicContact CG2-CD 4.26Å; I158-F215 HydrophobicContact CD1-CE2 4.1Å; I158-F215 HydrophobicContact CG2-CE2 4.41Å; I158-F215 HydrophobicContact CG2-CZ 3.95Å
159P98.7Very high98.7Very high59 Ų5943.9 Ų43.938%0.38325%0.252SS..Hα-helixtrans-60.7-35.8175-23.835.5000113.2V126 N156 A163V126-P159 HydrophobicContact CG2-CB 4.37Å; N156-P159 WeakPolarHBondContact O-CD 3.37Å; P159-A163 WeakPolarHBondContact O-CB 3.37Å; P159-A163 PolarHBondContact O-N 3.12Å
160F98.9Very high98.8Very high0 Ų036.2 Ų36.20%021%0.21CC..Hα-helixtrans-64.3-48.3176.4159.7-92.6000111.4L117 M119 M129 V141 I143 L157 I158 A162 A163 A164 I171L117-F160 HydrophobicContact CD1-CD2 4.06Å; L117-F160 HydrophobicContact CD1-CE2 3.54Å; M119-F160 HydrophobicContact CE-CD1 3.86Å; M119-F160 HydrophobicContact CE-CD2 3.77Å; M119-F160 HydrophobicContact CE-CE1 3.85Å; M119-F160 HydrophobicContact CE-CE2 3.76Å; M119-F160 HydrophobicContact CE-CG 3.84Å; M119-F160 HydrophobicContact CE-CZ 3.82Å; M119-F160 HydrophobicContact SD-CD2 3.76Å; M119-F160 HydrophobicContact SD-CE2 3.67Å; M119-F160 HydrophobicContact SD-CG 4.4Å; M119-F160 HydrophobicContact SD-CZ 4.23Å; M129-F160 HydrophobicContact CE-CD2 3.19Å; M129-F160 HydrophobicContact CE-CE2 3.01Å; M129-F160 HydrophobicContact CE-CG 4.18Å; M129-F160 HydrophobicContact CE-CZ 3.91Å; V141-F160 HydrophobicContact CG2-CE2 4.38Å; V141-F160 HydrophobicContact CG2-CZ 4.44Å; I143-F160 HydrophobicContact CD1-CE1 4.08Å; I143-F160 HydrophobicContact CD1-CZ 4.06Å; I143-F160 HydrophobicContact CG2-CE2 4.3Å; I143-F160 HydrophobicContact CG2-CZ 4Å; L157-F160 WeakPolarHBondContact O-CB 3.4Å; L157-F160 PolarHBondContact O-N 2.78Å; L157-F160 VanDerWaalsContact O-N 3.09Å; I158-F160 VanDerWaalsContact C-N 3.27Å; I158-F160 PolarHBondContact O-N 3Å; F160-A162 PolarHBondContact O-N 3.38Å; F160-A163 PolarHBondContact O-N 2.78Å; F160-A164 WeakPolarHBondContact O-CB 3.47Å; F160-A164 PolarHBondContact O-N 2.97Å; F160-I171 HydrophobicContact CE1-CD1 3.63Å; F160-I171 HydrophobicContact CE1-CG1 4.43Å; F160-I171 HydrophobicContact CZ-CD1 3.72Å; F160-I171 HydrophobicContact CZ-CG1 4.03Å; F160-I171 HydrophobicContact CZ-CG2 4.37Å
161Y98.9Very high98.8Very high0 Ų032.7 Ų32.70%020%0.197CC..Hα-helixtrans-64.4-40178.2-60.8-52.9000112.4L152 L157 I158 A163 A164 E165 I171 M206 I211 F215 L218L152-Y161 WeakPolarHBondContact CB-OH 3.34Å; L152-Y161 PolarHBondContact O-OH 3.35Å; L157-Y161 HydrophobicContact CB-CD2 4.24Å; L157-Y161 HydrophobicContact CB-CE2 3.55Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.32Å; L157-Y161 VanDerWaalsContact O-N 3.07Å; I158-Y161 HydrophobicContact CD1-CD2 4.48Å; I158-Y161 PolarHBondContact O-N 2.95Å; Y161-A163 PolarHBondContact O-N 3.47Å; Y161-A164 PolarHBondContact O-N 3.05Å; Y161-E165 PolarHBondContact O-N 3.35Å; Y161-I171 HydrophobicContact CD1-CD1 4.16Å; Y161-I171 HydrophobicContact CE1-CD1 4.46Å; Y161-M206 HydrophobicContact CE1-CE 3.86Å; Y161-I211 HydrophobicContact CD1-CG2 4.22Å; Y161-I211 HydrophobicContact CD2-CD1 4.05Å; Y161-I211 HydrophobicContact CD2-CG2 3.83Å; Y161-I211 HydrophobicContact CE1-CG2 4.35Å; Y161-I211 HydrophobicContact CE2-CD1 3.84Å; Y161-I211 HydrophobicContact CE2-CG1 4.24Å; Y161-I211 HydrophobicContact CE2-CG2 3.98Å; Y161-I211 HydrophobicContact CG-CG2 3.98Å; Y161-F215 VanDerWaalsContact CB-CE2 3.4Å; Y161-F215 HydrophobicContact CD2-CE2 4.22Å; Y161-F215 HydrophobicContact CG-CD2 4.3Å; Y161-F215 HydrophobicContact CG-CE2 4.23Å; Y161-L218 HydrophobicContact CD1-CD2 3.71Å; Y161-L218 HydrophobicContact CE1-CD2 4.45Å; Y161-L218 HydrophobicContact CG-CD2 4.29Å
162A98.9Very high98.8Very high40 Ų4030.3 Ų30.333%0.33118%0.184SC..Hα-helixtrans-60.6-45.7176.200000111.8I158 F160 E166 F215I158-A162 WeakPolarHBondContact O-CB 3.34Å; I158-A162 PolarHBondContact O-N 3.16Å; F160-A162 PolarHBondContact O-N 3.38Å; A162-E166 WeakPolarHBondContact O-CB 3.08Å; A162-E166 PolarHBondContact O-N 3.27Å; A162-F215 VanDerWaalsContact CA-CE1 3.45Å; A162-F215 HydrophobicContact CB-CE1 3.64Å; A162-F215 HydrophobicContact CB-CZ 4.03Å
163A98.9Very high98.8Very high3 Ų330.3 Ų30.33%0.02519%0.185CC..Hα-helixtrans-65.4-41.5176.800000112V126 M129 P159 F160 Y161 E166 L167V126-A163 HydrophobicContact CB-CB 4.39Å; V126-A163 HydrophobicContact CG1-CB 3.77Å; V126-A163 HydrophobicContact CG2-CB 3.91Å; M129-A163 HydrophobicContact SD-CB 4.22Å; P159-A163 WeakPolarHBondContact O-CB 3.37Å; P159-A163 PolarHBondContact O-N 3.12Å; F160-A163 PolarHBondContact O-N 2.78Å; Y161-A163 PolarHBondContact O-N 3.47Å; A163-E166 PolarHBondContact O-N 2.93Å; A163-L167 VanDerWaalsContact O-CB 3.28Å; A163-L167 WeakPolarHBondContact O-CB 3.41Å; A163-L167 WeakPolarHBondContact O-CD1 2.98Å; A163-L167 WeakPolarHBondContact O-CG 3.25Å; A163-L167 PolarHBondContact O-N 3.37Å
164A98.9Very high98.8Very high0 Ų027.7 Ų27.70%017%0.17CC..Hα-helixtrans-61.5-45.5178.100000111.9M129 F160 Y161 L167 G168 C169 I171 L218M129-A164 HydrophobicContact CE-CB 3.88Å; M129-A164 VanDerWaalsContact SD-CA 3.57Å; M129-A164 HydrophobicContact SD-CB 3.87Å; F160-A164 WeakPolarHBondContact O-CB 3.47Å; F160-A164 PolarHBondContact O-N 2.97Å; Y161-A164 PolarHBondContact O-N 3.05Å; A164-L167 PolarHBondContact O-N 2.83Å; A164-G168 PolarHBondContact O-N 3.48Å; A164-C169 HydrophobicContact CB-CB 4.38Å; A164-C169 PolarHBondContact O-N 2.94Å; A164-I171 HydrophobicContact CB-CD1 3.87Å; A164-I171 HydrophobicContact CB-CG1 4.27Å; A164-L218 HydrophobicContact CB-CD1 3.67Å
165E98.9Very high98.8Very high51 Ų5126.8 Ų26.824%0.23816%0.164CC..Hα-helixtrans-64.5-45176.6-169-177.9-123.800112.2Y161 L167 G168 F215 P216 K217 L218Y161-E165 PolarHBondContact O-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.22Å; E165-G168 PolarHBondContact O-N 2.91Å; E165-G168 VanDerWaalsContact O-N 3.15Å; E165-F215 VanDerWaalsContact OE1-CA 3.22Å; E165-F215 WeakPolarHBondContact OE1-CA 3.47Å; E165-P216 WeakPolarHBondContact OE1-CD 3.22Å; E165-K217 HydrophobicContact CG-CB 3.81Å; E165-K217 WeakPolarHBondContact OE1-CA 3.42Å; E165-K217 WeakPolarHBondContact OE1-CB 3.48Å; E165-K217 PolarHBondContact OE1-N 2.87Å; E165-L218 HydrophobicContact CB-CD1 4.21Å; E165-L218 PolarHBondContact OE1-N 3.09Å
166E98.8Very high98.8Very high130 Ų13024.5 Ų24.561%0.60714%0.142SC*.Hα-helixtrans-57.7-43.1176.7-176.8-156.9133.900111.8R130 A162 A163 G168R130-E166 IonicContact CZ-OE1 3.85Å; R130-E166 IonicContact CZ-OE2 2.7Å; R130-E166 IonicContact NH1-OE1 3.43Å; R130-E166 PolarHBondContact NH1-OE1 2.85Å; R130-E166 IonicContact NH1-OE2 3.89Å; R130-E166 IonicContact NH2-OE1 3.92Å; R130-E166 PolarHBondContact NH2-OE1 3.26Å; R130-E166 IonicContact NH2-OE2 2.76Å; R130-E166 PolarHBondContact NH2-OE2 2.74Å; A162-E166 WeakPolarHBondContact O-CB 3.08Å; A162-E166 PolarHBondContact O-N 3.27Å; A163-E166 PolarHBondContact O-N 2.93Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.83Å
167L98.8Very high98.8Very high22 Ų2225.6 Ų25.612%0.11515%0.148CC..Hα-helixtrans-78.7-13.6-178.5-68.7169.2000113M129 R130 V133 K134 A163 A164 E165 C169M129-L167 HydrophobicContact CG-CD1 3.92Å; M129-L167 HydrophobicContact SD-CD1 3.82Å; R130-L167 HydrophobicContact CG-CD1 3.83Å; R130-L167 HydrophobicContact CG-CD2 4.42Å; V133-L167 HydrophobicContact CG1-CB 4.37Å; V133-L167 HydrophobicContact CG1-CD2 4.43Å; V133-L167 HydrophobicContact CG2-CD1 4.35Å; K134-L167 HydrophobicContact CD-CD2 4.43Å; K134-L167 VanDerWaalsContact CE-CD2 3.46Å; A163-L167 VanDerWaalsContact O-CB 3.28Å; A163-L167 WeakPolarHBondContact O-CB 3.41Å; A163-L167 WeakPolarHBondContact O-CD1 2.98Å; A163-L167 WeakPolarHBondContact O-CG 3.25Å; A163-L167 PolarHBondContact O-N 3.37Å; A164-L167 PolarHBondContact O-N 2.83Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 3.22Å; L167-C169 HydrophobicContact CB-CB 4.01Å; L167-C169 PolarHBondContact O-N 3.22Å
168G98.8Very high98.7Very high46 Ų4626.1 Ų26.147%0.47415%0.15SC..THydrogen-bonded Turntrans63.225-165.700000112.7A164 E165 E166A164-G168 PolarHBondContact O-N 3.48Å; E165-G168 PolarHBondContact O-N 2.91Å; E165-G168 VanDerWaalsContact O-N 3.15Å; E166-G168 VanDerWaalsContact C-N 3.29Å; E166-G168 PolarHBondContact O-N 2.83Å
169C98.9Very high98.6Very high3 Ų329.5 Ų29.52%0.0217%0.165CC..  trans-77.8120.3-178.4-177.40000110.2M129 V133 A164 L167M129-C169 HydrophobicContact CG-CB 4.42Å; M129-C169 HydrophobicContact SD-CB 4.14Å; V133-C169 HydrophobicContact CG2-CB 3.85Å; A164-C169 HydrophobicContact CB-CB 4.38Å; A164-C169 PolarHBondContact O-N 2.94Å; L167-C169 HydrophobicContact CB-CB 4.01Å; L167-C169 PolarHBondContact O-N 3.22Å
170S98.9Very high98.4Very high0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-77.7147179.1-58.40000111.8P139 G140 V141 F328P139-S170 PolarHBondContact O-N 3.48Å; G140-S170 CarbonylContact C-O 3.2Å; G140-S170 WeakPolarHBondContact CA-O 3.14Å; V141-S170 PolarHBondContact N-O 2.81Å; S170-F328 PolarHBondContact OG-O 3.49Å
171I99Very high98.3Very high1 Ų135.3 Ų35.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-117118.5-177.2-58.2167.9000108.9V141 I143 F160 Y161 A164 V173 L218 K219 V220 C221V141-I171 HydrophobicContact CG2-CG1 4.32Å; I143-I171 HydrophobicContact CD1-CG2 3.71Å; I143-I171 HydrophobicContact CG1-CG2 3.77Å; F160-I171 HydrophobicContact CE1-CD1 3.63Å; F160-I171 HydrophobicContact CE1-CG1 4.43Å; F160-I171 HydrophobicContact CZ-CD1 3.72Å; F160-I171 HydrophobicContact CZ-CG1 4.03Å; F160-I171 HydrophobicContact CZ-CG2 4.37Å; Y161-I171 HydrophobicContact CD1-CD1 4.16Å; Y161-I171 HydrophobicContact CE1-CD1 4.46Å; A164-I171 HydrophobicContact CB-CD1 3.87Å; A164-I171 HydrophobicContact CB-CG1 4.27Å; I171-V173 HydrophobicContact CG2-CG2 3.96Å; I171-L218 HydrophobicContact CD1-CD1 3.77Å; I171-L218 HydrophobicContact CD1-CD2 4.14Å; I171-L218 HydrophobicContact CD1-CG 4.13Å; I171-K219 PolarHBondContact N-O 3.32Å; I171-V220 HydrophobicContact CD1-CG2 4.5Å; I171-V220 CarbonylContact O-C 3.48Å; I171-V220 WeakPolarHBondContact O-CA 3.21Å; I171-C221 PolarHBondContact O-N 2.77Å
172F99Very high98.2Very high0 Ų038.2 Ų38.20%023%0.226CC..EExtended strand (participates in β ladder)trans-98.6117.1167.9-173.1-109.9000109.5I5 H6 L114 V141 Q142 I143 H174 C221 A223I5-F172 HydrophobicContact CG2-CE2 4.45Å; H6-F172 HydrophobicContact CB-CE1 4.45Å; H6-F172 HydrophobicContact CB-CE2 4.4Å; H6-F172 HydrophobicContact CB-CZ 3.78Å; H6-F172 AromaticContact CD2-CE1 3.83Å; H6-F172 AromaticContact CD2-CZ 3.79Å; H6-F172 AromaticContact CG-CZ 3.52Å; H6-F172 AromaticContact ND1-CZ 3.76Å; L114-F172 HydrophobicContact CD1-CB 4.01Å; L114-F172 HydrophobicContact CD1-CG 4.45Å; V141-F172 PolarHBondContact O-N 3.43Å; Q142-F172 CarbonylContact C-O 3.58Å; Q142-F172 VanDerWaalsContact CA-O 3.25Å; Q142-F172 WeakPolarHBondContact CA-O 3.44Å; Q142-F172 HydrophobicContact CB-CD1 4.47Å; Q142-F172 HydrophobicContact CG-CD1 3.94Å; I143-F172 PolarHBondContact N-O 3.19Å; F172-H174 HydrophobicContact CE1-CB 4.28Å; F172-C221 CarbonylContact C-O 3.59Å; F172-C221 WeakPolarHBondContact CA-O 3.09Å; F172-C221 HydrophobicContact CD2-CB 3.9Å; F172-A223 HydrophobicContact CE1-CB 4.23Å; F172-A223 HydrophobicContact CE2-CB 4.3Å; F172-A223 HydrophobicContact CZ-CB 3.63Å
173V99Very high98.2Very high1 Ų147.3 Ų47.31%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-96.9112.9-179.5-1780000108.6I143 L152 I171 A202 V220 C221 F222 A223I143-V173 HydrophobicContact CD1-CG2 4.25Å; I143-V173 HydrophobicContact CG1-CG2 4.07Å; L152-V173 HydrophobicContact CD1-CG1 3.93Å; L152-V173 HydrophobicContact CD1-CG2 4.16Å; I171-V173 HydrophobicContact CG2-CG2 3.96Å; V173-A202 HydrophobicContact CG1-CB 4.26Å; V173-V220 HydrophobicContact CG2-CG1 3.81Å; V173-C221 PolarHBondContact N-O 2.81Å; V173-F222 HydrophobicContact CB-CD1 3.63Å; V173-F222 HydrophobicContact CB-CE1 3.91Å; V173-F222 HydrophobicContact CB-CG 4.46Å; V173-F222 HydrophobicContact CG1-CD1 3.84Å; V173-F222 HydrophobicContact CG1-CE1 3.97Å; V173-F222 HydrophobicContact CG2-CD1 4.09Å; V173-F222 HydrophobicContact CG2-CE1 3.89Å; V173-A223 PolarHBondContact O-N 3.29Å
174H98.9Very high98.1Very high5 Ų548.7 Ų48.72%0.02326%0.258CS..EExtended strand (participates in β ladder)trans-106.3131177.8-169.8-63.2000110.3H6 H8 P77 F80 Q142 I143 G144 S145 F172 W176 H224H6-H174 AromaticContact CE1-CD2 3.94Å; H6-H174 AromaticContact CE1-NE2 3.89Å; H6-H174 AromaticContact NE2-CD2 3.25Å; H6-H174 PolarHBondContact NE2-CD2 2.93Å; H6-H174 VanDerWaalsContact NE2-CD2 3.25Å; H6-H174 AromaticContact NE2-NE2 3.3Å; H6-H174 PolarHBondContact NE2-NE2 3.31Å; H8-H174 AromaticContact CE1-CD2 3.6Å; H8-H174 AromaticContact CE1-NE2 3.93Å; H8-H174 AromaticContact NE2-CD2 3.6Å; H8-H174 AromaticContact NE2-NE2 3.48Å; H8-H174 PolarHBondContact NE2-NE2 3.47Å; P77-H174 HydrophobicContact CG-CB 4.42Å; P77-H174 VanDerWaalsContact CG-CE1 3.46Å; P77-H174 WeakPolarHBondContact CG-CE1 3.32Å; P77-H174 VanDerWaalsContact CG-ND1 3.28Å; P77-H174 WeakPolarHBondContact CG-ND1 3.46Å; F80-H174 HydrophobicContact CZ-CB 4.36Å; Q142-H174 HydrophobicContact CG-CB 4.2Å; I143-H174 PolarHBondContact O-N 3.38Å; G144-H174 CarbonylContact C-O 3.59Å; G144-H174 VanDerWaalsContact CA-O 3.3Å; G144-H174 WeakPolarHBondContact CA-O 3.45Å; S145-H174 PolarHBondContact N-O 3.41Å; F172-H174 HydrophobicContact CE1-CB 4.28Å; H174-W176 PolarHBondContact O-N 2.84Å; H174-H224 AromaticContact CE1-CE1 3.93Å; H174-H224 AromaticContact NE2-CE1 3.78Å
175P98.8Very high98Very high0 Ų051.7 Ų51.70%028%0.283CS..  trans-66.1131.5177.328.4-35.3000111.3S145 M195 E198S145-P175 WeakPolarHBondContact OG-CA 3.4Å; P175-M195 HydrophobicContact CB-CB 3.92Å; P175-M195 HydrophobicContact CB-CG 4.01Å; P175-M195 WeakPolarHBondContact CB-O 3.27Å; P175-M195 HydrophobicContact CG-CB 3.67Å; P175-M195 HydrophobicContact CG-CG 3.87Å; P175-M195 HydrophobicContact CG-SD 4.34Å; P175-E198 HydrophobicContact CB-CB 3.71Å
176W98.2Very high97.9Very high42 Ų4255.9 Ų55.916%0.15930%0.3CS..  trans-153166.1176.6-171.3-109.3000110.5F46 P77 V78 F80 S145 H146 H174 M178 M195F46-W176 HydrophobicContact CE2-CH2 4.06Å; F46-W176 AromaticContact CZ-CH2 3.64Å; F46-W176 HydrophobicContact CZ-CH2 3.64Å; F46-W176 HydrophobicContact CZ-CZ3 4.38Å; P77-W176 HydrophobicContact CB-CB 3.98Å; P77-W176 HydrophobicContact CB-CD2 3.67Å; P77-W176 HydrophobicContact CB-CE3 3.62Å; P77-W176 HydrophobicContact CB-CG 3.8Å; P77-W176 HydrophobicContact CB-CZ3 4.46Å; V78-W176 HydrophobicContact CB-CH2 3.84Å; V78-W176 HydrophobicContact CB-CZ2 3.6Å; V78-W176 HydrophobicContact CG2-CH2 4.11Å; V78-W176 HydrophobicContact CG2-CZ2 3.66Å; F80-W176 HydrophobicContact CD2-CB 4.05Å; F80-W176 HydrophobicContact CD2-CG 4.13Å; F80-W176 HydrophobicContact CE2-CB 4Å; F80-W176 HydrophobicContact CE2-CG 4.45Å; S145-W176 PolarHBondContact OG-N 3.34Å; S145-W176 PolarHBondContact OG-O 2.96Å; H146-W176 PolarHBondContact CE1-O 3.06Å; H174-W176 PolarHBondContact O-N 2.84Å; W176-M178 HydrophobicContact CD2-CE 4.18Å; W176-M178 HydrophobicContact CE3-CE 3.87Å; W176-M178 HydrophobicContact CH2-CE 4.36Å; W176-M178 HydrophobicContact CZ3-CE 3.99Å; W176-M178 PolarHBondContact O-N 2.78Å; W176-M195 HydrophobicContact CE3-CE 4.01Å; W176-M195 HydrophobicContact CZ3-CE 4.16Å
177D97.2Very high97.9Very high94 Ų9458.7 Ų58.750%0.50331%0.307SS..SBendtrans60.224.2178.3-150.138000115.2H146H146-D177 IonicContact NE2-OD2 3.23Å
178M97.2Very high97.8Very high11 Ų1162.7 Ų62.75%0.05432%0.32CS..  trans-57.215516460.4-79.4104.900112.9W176 T180 P190 M195 E198W176-M178 HydrophobicContact CD2-CE 4.18Å; W176-M178 HydrophobicContact CE3-CE 3.87Å; W176-M178 HydrophobicContact CH2-CE 4.36Å; W176-M178 HydrophobicContact CZ3-CE 3.99Å; W176-M178 PolarHBondContact O-N 2.78Å; M178-T180 HydrophobicContact CE-CG2 4.49Å; M178-T180 PolarHBondContact O-N 2.74Å; M178-P190 HydrophobicContact CG-CB 3.9Å; M178-P190 WeakPolarHBondContact CG-O 3.38Å; M178-M195 HydrophobicContact SD-CE 3.97Å; M178-M195 HydrophobicContact SD-CG 3.71Å; M178-E198 HydrophobicContact CB-CG 3.94Å
179Q96.2Very high97.8Very high112 Ų11262.8 Ų62.852%0.52331%0.31SS..  trans-55.7125.8174-175176.813.500111.8D181 M184Q179-D181 VanDerWaalsContact CG-OD1 3.29Å; Q179-D181 WeakPolarHBondContact CG-OD1 3.46Å; Q179-D181 PolarHBondContact NE2-OD1 3.4Å; Q179-M184 HydrophobicContact CB-CG 4.25Å; Q179-M184 HydrophobicContact CG-CB 4.38Å; Q179-M184 HydrophobicContact CG-CG 4.21Å; Q179-M184 WeakPolarHBondContact O-CB 3.5Å
180T95.8Very high97.7Very high83 Ų8362.9 Ų62.951%0.50931%0.31SS..  trans-111.7-5.7-18054.30000114.3M178 A185 P190M178-T180 HydrophobicContact CE-CG2 4.49Å; M178-T180 PolarHBondContact O-N 2.74Å; T180-A185 WeakPolarHBondContact O-CA 3.38Å; T180-P190 HydrophobicContact CG2-CB 4.12Å; T180-P190 HydrophobicContact CG2-CG 4.26Å
181D96.5Very high97.7Very high98 Ų9865.3 Ų65.352%0.52432%0.319SS..SBendtrans-112.1-172.1-175.565.513.7000112.7Q179 R183 M184 A185Q179-D181 VanDerWaalsContact CG-OD1 3.29Å; Q179-D181 WeakPolarHBondContact CG-OD1 3.46Å; Q179-D181 PolarHBondContact NE2-OD1 3.4Å; D181-R183 PolarHBondContact O-N 2.98Å; D181-M184 PolarHBondContact O-N 3.16Å; D181-A185 PolarHBondContact O-N 3.49Å
182G97.6Very high97.7Very high61 Ų6169.5 Ų69.563%0.62934%0.341SS*.G310 helixtrans54.9-122.7175.600000113M184 A185G182-M184 PolarHBondContact O-N 3Å; G182-A185 WeakPolarHBondContact O-CB 3.31Å; G182-A185 PolarHBondContact O-N 3.13Å
183R97.6Very high97.7Very high230 Ų23073 Ų7387%0.86836%0.362SS*.G310 helixtrans-68-23.6179.8-71.5172.960.2-151.2-2.8113.2D181D181-R183 PolarHBondContact O-N 2.98Å
184M97.8Very high97.7Very high33 Ų3373.3 Ų73.316%0.16337%0.366CS..G310 helixtrans-88.6-7.9-179.2-60-63.2-79.100112.3Q179 D181 G182 K186 L189 P190 V193Q179-M184 HydrophobicContact CB-CG 4.25Å; Q179-M184 HydrophobicContact CG-CB 4.38Å; Q179-M184 HydrophobicContact CG-CG 4.21Å; Q179-M184 WeakPolarHBondContact O-CB 3.5Å; D181-M184 PolarHBondContact O-N 3.16Å; G182-M184 PolarHBondContact O-N 3Å; M184-K186 PolarHBondContact O-N 3.47Å; M184-L189 HydrophobicContact CE-CB 3.98Å; M184-L189 WeakPolarHBondContact CE-O 3.44Å; M184-L189 HydrophobicContact SD-CB 4.03Å; M184-P190 HydrophobicContact CB-CG 4.19Å; M184-P190 WeakPolarHBondContact O-CD 3.5Å; M184-P190 WeakPolarHBondContact O-CG 3.47Å; M184-V193 HydrophobicContact CE-CB 4.22Å; M184-V193 HydrophobicContact CE-CG1 4.49Å
185A96.9Very high97.6Very high62 Ų6273.6 Ų73.651%0.51237%0.367SS..SBendtrans-67.2-10.7-173.200000115.8T180 D181 G182T180-A185 WeakPolarHBondContact O-CA 3.38Å; D181-A185 PolarHBondContact O-N 3.49Å; G182-A185 WeakPolarHBondContact O-CB 3.31Å; G182-A185 PolarHBondContact O-N 3.13Å
186K96.8Very high97.7Very high139 Ų13975.2 Ų75.260%0.60438%0.378SS*.SBendtrans-118.2163.4-174.8-66.2-172.9179.5-176.90111.6M184 W188 L189M184-K186 PolarHBondContact O-N 3.47Å; K186-W188 PolarHBondContact O-N 2.96Å; K186-L189 WeakPolarHBondContact O-CB 3.19Å; K186-L189 WeakPolarHBondContact O-CG 3.47Å; K186-L189 PolarHBondContact O-N 3.2Å; K186-L189 VanDerWaalsContact O-N 3.16Å
187Y97.9Very high97.7Very high190 Ų19076.2 Ų76.275%0.74539%0.389SS*.THydrogen-bonded Turntrans54.526.8172-45-54.1000114.7L189 L192Y187-L189 PolarHBondContact O-N 2.84Å; Y187-L189 VanDerWaalsContact O-N 3.08Å; Y187-L192 WeakPolarHBondContact O-CD1 3.38Å
188W96.9Very high97.8Very high106 Ų10672.9 Ų72.940%0.40237%0.37SS..THydrogen-bonded Turntrans57.922.6-179.9-148.418.8000114.2K186 P190 W191 L192 L296K186-W188 PolarHBondContact O-N 2.96Å; W188-P190 VanDerWaalsContact C-N 3.3Å; W188-P190 WeakPolarHBondContact O-CD 3.31Å; W188-P190 VanDerWaalsContact O-N 3.14Å; W188-W191 AromaticContact CD1-CD2 3.52Å; W188-W191 AromaticContact CD1-CE3 3.02Å; W188-W191 AromaticContact CD1-CG 3.98Å; W188-W191 AromaticContact CD1-CZ3 3.58Å; W188-W191 HydrophobicContact CD2-CB 4.4Å; W188-W191 AromaticContact CE2-CG 3.95Å; W188-W191 HydrophobicContact CG-CB 4.35Å; W188-W191 HydrophobicContact CG-CE3 4.18Å; W188-W191 HydrophobicContact CZ2-CG 4.42Å; W188-W191 AromaticContact NE1-CD2 3.07Å; W188-W191 AromaticContact NE1-CE2 3.69Å; W188-W191 AromaticContact NE1-CE3 3.08Å; W188-W191 AromaticContact NE1-CG 3.44Å; W188-W191 AromaticContact NE1-CZ3 3.63Å; W188-W191 PolarHBondContact O-N 3.41Å; W188-L192 HydrophobicContact CB-CD1 4.33Å; W188-L192 HydrophobicContact CB-CG 4.39Å; W188-L192 PolarHBondContact O-N 2.95Å; W188-L192 VanDerWaalsContact O-N 3.1Å; W188-L296 HydrophobicContact CH2-CB 3.87Å; W188-L296 HydrophobicContact CH2-CD1 4.31Å; W188-L296 HydrophobicContact CH2-CD2 4.44Å; W188-L296 HydrophobicContact CH2-CG 4.44Å; W188-L296 HydrophobicContact CZ3-CB 4.47Å; W188-L296 HydrophobicContact CZ3-CD1 4.07Å
189L98.4Very high97.8Very high48 Ų4872.4 Ų72.425%0.25137%0.368SS..Hα-helixtrans-54-29.7-178.4-69.3175.2000115.8M184 K186 Y187 W191 L192 V193 G194M184-L189 HydrophobicContact CE-CB 3.98Å; M184-L189 WeakPolarHBondContact CE-O 3.44Å; M184-L189 HydrophobicContact SD-CB 4.03Å; K186-L189 WeakPolarHBondContact O-CB 3.19Å; K186-L189 WeakPolarHBondContact O-CG 3.47Å; K186-L189 PolarHBondContact O-N 3.2Å; K186-L189 VanDerWaalsContact O-N 3.16Å; Y187-L189 PolarHBondContact O-N 2.84Å; Y187-L189 VanDerWaalsContact O-N 3.08Å; L189-W191 PolarHBondContact O-N 3.08Å; L189-L192 PolarHBondContact O-N 2.75Å; L189-V193 HydrophobicContact CD2-CG2 3.88Å; L189-V193 WeakPolarHBondContact O-CA 3.39Å; L189-V193 PolarHBondContact O-N 3.11Å; L189-G194 PolarHBondContact O-N 2.6Å
190P98.1Very high98Very high5 Ų567.8 Ų67.83%0.03235%0.347CS..Iπ-helixtrans-61.9-35176.5-21.335.2000111.5M178 T180 M184 W188 G194 M195M178-P190 HydrophobicContact CG-CB 3.9Å; M178-P190 WeakPolarHBondContact CG-O 3.38Å; T180-P190 HydrophobicContact CG2-CB 4.12Å; T180-P190 HydrophobicContact CG2-CG 4.26Å; M184-P190 HydrophobicContact CB-CG 4.19Å; M184-P190 WeakPolarHBondContact O-CD 3.5Å; M184-P190 WeakPolarHBondContact O-CG 3.47Å; W188-P190 VanDerWaalsContact C-N 3.3Å; W188-P190 WeakPolarHBondContact O-CD 3.31Å; W188-P190 VanDerWaalsContact O-N 3.14Å; P190-G194 CarbonylContact O-C 3.39Å; P190-G194 WeakPolarHBondContact O-CA 3.47Å; P190-G194 PolarHBondContact O-N 3.01Å; P190-M195 PolarHBondContact O-N 2.65Å
191W98.3Very high98.1Very high51 Ų5167.7 Ų67.719%0.19334%0.342CS..Iπ-helixtrans-82.8-44.8175.7-73.8-98.2000111.8F46 W188 L189 M195 P196 L296F46-W191 HydrophobicContact CZ-CZ2 4.48Å; W188-W191 AromaticContact CD1-CD2 3.52Å; W188-W191 AromaticContact CD1-CE3 3.02Å; W188-W191 AromaticContact CD1-CG 3.98Å; W188-W191 AromaticContact CD1-CZ3 3.58Å; W188-W191 HydrophobicContact CD2-CB 4.4Å; W188-W191 AromaticContact CE2-CG 3.95Å; W188-W191 HydrophobicContact CG-CB 4.35Å; W188-W191 HydrophobicContact CG-CE3 4.18Å; W188-W191 HydrophobicContact CZ2-CG 4.42Å; W188-W191 AromaticContact NE1-CD2 3.07Å; W188-W191 AromaticContact NE1-CE2 3.69Å; W188-W191 AromaticContact NE1-CE3 3.08Å; W188-W191 AromaticContact NE1-CG 3.44Å; W188-W191 AromaticContact NE1-CZ3 3.63Å; W188-W191 PolarHBondContact O-N 3.41Å; L189-W191 PolarHBondContact O-N 3.08Å; W191-M195 VanDerWaalsContact CD1-SD 3.57Å; W191-M195 HydrophobicContact CG-CE 4.48Å; W191-M195 HydrophobicContact CG-SD 4.22Å; W191-P196 WeakPolarHBondContact O-CD 3.45Å; W191-L296 HydrophobicContact CB-CD2 4.05Å
192L98.5Very high98.2Very high89 Ų8963 Ų6347%0.46632%0.317SS..Iπ-helixtrans-76.8-25-172.2-57-178.1000114.2Y187 W188 L189 L296Y187-L192 WeakPolarHBondContact O-CD1 3.38Å; W188-L192 HydrophobicContact CB-CD1 4.33Å; W188-L192 HydrophobicContact CB-CG 4.39Å; W188-L192 PolarHBondContact O-N 2.95Å; W188-L192 VanDerWaalsContact O-N 3.1Å; L189-L192 PolarHBondContact O-N 2.75Å; L192-L296 HydrophobicContact CD2-CD1 4.05Å; L192-L296 HydrophobicContact CD2-CD2 4.47Å
193V98.7Very high98.3Very high72 Ų7260.1 Ų60.144%0.43629%0.287SS..Iπ-helixtrans-128.8-41-177.71790000111.3M184 L189 T197M184-V193 HydrophobicContact CE-CB 4.22Å; M184-V193 HydrophobicContact CE-CG1 4.49Å; L189-V193 HydrophobicContact CD2-CG2 3.88Å; L189-V193 WeakPolarHBondContact O-CA 3.39Å; L189-V193 PolarHBondContact O-N 3.11Å; V193-T197 WeakPolarHBondContact O-CB 3.19Å; V193-T197 PolarHBondContact O-N 2.84Å; V193-T197 VanDerWaalsContact O-N 3.12Å; V193-T197 PolarHBondContact O-OG1 3.33Å
194G98.7Very high98.4Very high8 Ų850.1 Ų50.18%0.08225%0.252CS..Iπ-helixtrans-62-55.4-178.800000112.3L189 P190 T197 E198L189-G194 PolarHBondContact O-N 2.6Å; P190-G194 CarbonylContact O-C 3.39Å; P190-G194 WeakPolarHBondContact O-CA 3.47Å; P190-G194 PolarHBondContact O-N 3.01Å; G194-T197 WeakPolarHBondContact O-CB 3.5Å; G194-T197 PolarHBondContact O-N 2.81Å; G194-E198 PolarHBondContact O-N 3.09Å
195M98.8Very high98.4Very high12 Ų1249.4 Ų49.46%0.05925%0.251CS..Hα-helixtrans-58.9-47.6-179.3-77-176.7168.300113.7P175 W176 M178 P190 W191 T197 E198 T199P175-M195 HydrophobicContact CB-CB 3.92Å; P175-M195 HydrophobicContact CB-CG 4.01Å; P175-M195 WeakPolarHBondContact CB-O 3.27Å; P175-M195 HydrophobicContact CG-CB 3.67Å; P175-M195 HydrophobicContact CG-CG 3.87Å; P175-M195 HydrophobicContact CG-SD 4.34Å; W176-M195 HydrophobicContact CE3-CE 4.01Å; W176-M195 HydrophobicContact CZ3-CE 4.16Å; M178-M195 HydrophobicContact SD-CE 3.97Å; M178-M195 HydrophobicContact SD-CG 3.71Å; P190-M195 PolarHBondContact O-N 2.65Å; W191-M195 VanDerWaalsContact CD1-SD 3.57Å; W191-M195 HydrophobicContact CG-CE 4.48Å; W191-M195 HydrophobicContact CG-SD 4.22Å; M195-T197 VanDerWaalsContact C-N 3.26Å; M195-T197 PolarHBondContact O-N 3.26Å; M195-E198 WeakPolarHBondContact O-CB 3.32Å; M195-E198 PolarHBondContact O-N 3.19Å; M195-T199 PolarHBondContact O-N 3.49Å; M195-T199 PolarHBondContact O-OG1 2.84Å
196P98.8Very high98.5Very high34 Ų3446.5 Ų46.522%0.22123%0.226CC..Hα-helixtrans-60.1-33.3172.8-27.535.3000114W191 T200 G227 S228W191-P196 WeakPolarHBondContact O-CD 3.45Å; P196-T200 PolarHBondContact O-N 3.07Å; P196-T200 PolarHBondContact O-OG1 3.19Å; P196-T200 VanDerWaalsContact O-OG1 3.06Å; P196-G227 WeakPolarHBondContact O-CA 3.26Å; P196-S228 PolarHBondContact O-N 2.88Å
197T98.8Very high98.6Very high63 Ų6340 Ų4039%0.38720%0.198SC..Hα-helixtrans-70.1-45.6177.3-57.80000111.2V193 G194 M195 T199 T200 M201V193-T197 WeakPolarHBondContact O-CB 3.19Å; V193-T197 PolarHBondContact O-N 2.84Å; V193-T197 VanDerWaalsContact O-N 3.12Å; V193-T197 PolarHBondContact O-OG1 3.33Å; G194-T197 WeakPolarHBondContact O-CB 3.5Å; G194-T197 PolarHBondContact O-N 2.81Å; M195-T197 VanDerWaalsContact C-N 3.26Å; M195-T197 PolarHBondContact O-N 3.26Å; T197-T199 VanDerWaalsContact C-N 3.34Å; T197-T199 PolarHBondContact O-N 3.05Å; T197-T200 PolarHBondContact O-N 3.03Å; T197-M201 HydrophobicContact CG2-SD 4.28Å; T197-M201 WeakPolarHBondContact O-CG 3.14Å; T197-M201 PolarHBondContact O-N 2.93Å
198E98.9Very high98.7Very high24 Ų2433.3 Ų33.311%0.11217%0.173CC..Hα-helixtrans-55.6-46.3175.3-85.2-62.5129.300112S145 H146 P175 M178 G194 M195 T200 M201 A202S145-E198 WeakPolarHBondContact CB-OE2 3.45Å; S145-E198 PolarHBondContact OG-OE2 3.03Å; H146-E198 IonicContact CE1-OE2 3.67Å; H146-E198 PolarHBondContact CE1-OE2 3.15Å; H146-E198 IonicContact CG-OE2 3.27Å; H146-E198 IonicContact ND1-OE1 2.82Å; H146-E198 IonicContact ND1-OE2 3.38Å; H146-E198 PolarHBondContact ND1-OE2 2.77Å; P175-E198 HydrophobicContact CB-CB 3.71Å; M178-E198 HydrophobicContact CB-CG 3.94Å; G194-E198 PolarHBondContact O-N 3.09Å; M195-E198 WeakPolarHBondContact O-CB 3.32Å; M195-E198 PolarHBondContact O-N 3.19Å; E198-T200 PolarHBondContact O-N 2.84Å; E198-M201 PolarHBondContact O-N 3.1Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 3.17Å
199T98.9Very high98.8Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-63-42.6177.4-59.10000111.9M195 T197 M201 A202 I203 F222 G226M195-T199 PolarHBondContact O-N 3.49Å; M195-T199 PolarHBondContact O-OG1 2.84Å; T197-T199 VanDerWaalsContact C-N 3.34Å; T197-T199 PolarHBondContact O-N 3.05Å; T199-M201 VanDerWaalsContact C-N 3.31Å; T199-M201 PolarHBondContact O-N 3.19Å; T199-A202 PolarHBondContact O-N 3Å; T199-I203 HydrophobicContact CG2-CD1 4.1Å; T199-I203 WeakPolarHBondContact O-CG1 3.28Å; T199-I203 PolarHBondContact O-N 2.92Å; T199-F222 HydrophobicContact CG2-CB 3.74Å; T199-F222 HydrophobicContact CG2-CD1 4.18Å; T199-F222 HydrophobicContact CG2-CG 4.32Å; T199-G226 VanDerWaalsContact CG2-C 3.41Å
200T98.9Very high98.8Very high15 Ų1527.4 Ų27.49%0.09216%0.157CC..Hα-helixtrans-62.6-39.4176.4-60.20000111.6P196 T197 E198 C204 S228 F229 I236P196-T200 PolarHBondContact O-N 3.07Å; P196-T200 PolarHBondContact O-OG1 3.19Å; P196-T200 VanDerWaalsContact O-OG1 3.06Å; T197-T200 PolarHBondContact O-N 3.03Å; E198-T200 PolarHBondContact O-N 2.84Å; T200-C204 WeakPolarHBondContact O-CB 3.46Å; T200-C204 PolarHBondContact O-N 3.38Å; T200-C204 PolarHBondContact O-SG 3.22Å; T200-S228 WeakPolarHBondContact OG1-CA 3.27Å; T200-S228 PolarHBondContact OG1-N 2.83Å; T200-S228 PolarHBondContact OG1-OG 2.9Å; T200-F229 HydrophobicContact CG2-CB 4.22Å; T200-F229 PolarHBondContact OG1-N 3.33Å; T200-I236 HydrophobicContact CG2-CD1 4.29Å
201M98.9Very high98.8Very high81 Ų8127.3 Ų27.340%0.39916%0.156SC..Hα-helixtrans-62.7-48.3174.5-73.8178.356.300110.9T197 E198 T199 I203 C204 S205T197-M201 HydrophobicContact CG2-SD 4.28Å; T197-M201 WeakPolarHBondContact O-CG 3.14Å; T197-M201 PolarHBondContact O-N 2.93Å; E198-M201 PolarHBondContact O-N 3.1Å; T199-M201 VanDerWaalsContact C-N 3.31Å; T199-M201 PolarHBondContact O-N 3.19Å; M201-I203 PolarHBondContact O-N 3.48Å; M201-C204 PolarHBondContact O-N 3.39Å; M201-S205 WeakPolarHBondContact O-CB 3.42Å; M201-S205 PolarHBondContact O-N 2.96Å; M201-S205 PolarHBondContact O-OG 2.9Å
202A98.9Very high98.8Very high0 Ų025.3 Ų25.30%015%0.149CC..Hα-helixtrans-56.6-45.9177.600000112.6L152 V173 E198 T199 S205 M206 F222L152-A202 HydrophobicContact CD1-CB 3.87Å; L152-A202 HydrophobicContact CG-CB 4.4Å; V173-A202 HydrophobicContact CG1-CB 4.26Å; E198-A202 WeakPolarHBondContact O-CB 3.48Å; E198-A202 PolarHBondContact O-N 3.17Å; T199-A202 PolarHBondContact O-N 3Å; A202-S205 PolarHBondContact O-N 3.31Å; A202-M206 WeakPolarHBondContact O-CG 3.4Å; A202-M206 PolarHBondContact O-N 2.9Å; A202-F222 HydrophobicContact CB-CD1 4.48Å; A202-F222 HydrophobicContact CB-CE1 4.07Å
203I98.9Very high98.8Very high0 Ų026 Ų260%015%0.149CC..Hα-helixtrans-61.5-49.4175.7-66.3167.3000110.7T199 M201 S205 M206 I207 F222 F229 F262T199-I203 HydrophobicContact CG2-CD1 4.1Å; T199-I203 WeakPolarHBondContact O-CG1 3.28Å; T199-I203 PolarHBondContact O-N 2.92Å; M201-I203 PolarHBondContact O-N 3.48Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 3.06Å; I203-M206 PolarHBondContact O-N 3.25Å; I203-I207 HydrophobicContact CG2-CD1 3.74Å; I203-I207 HydrophobicContact CG2-CG1 4.45Å; I203-I207 WeakPolarHBondContact O-CB 3.43Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 3.3Å; I203-F222 HydrophobicContact CB-CZ 4.39Å; I203-F222 HydrophobicContact CD1-CB 4.19Å; I203-F222 HydrophobicContact CD1-CD1 4.29Å; I203-F222 HydrophobicContact CD1-CD2 4.04Å; I203-F222 HydrophobicContact CD1-CG 3.92Å; I203-F222 HydrophobicContact CG1-CB 4.39Å; I203-F222 HydrophobicContact CG1-CD1 3.6Å; I203-F222 HydrophobicContact CG1-CD2 3.63Å; I203-F222 HydrophobicContact CG1-CE1 3.62Å; I203-F222 HydrophobicContact CG1-CE2 3.65Å; I203-F222 HydrophobicContact CG1-CG 3.6Å; I203-F222 HydrophobicContact CG1-CZ 3.63Å; I203-F229 HydrophobicContact CB-CD2 4.12Å; I203-F229 HydrophobicContact CB-CG 4.38Å; I203-F229 HydrophobicContact CD1-CB 3.75Å; I203-F229 HydrophobicContact CD1-CD1 4.34Å; I203-F229 HydrophobicContact CD1-CG 3.98Å; I203-F229 HydrophobicContact CG2-CD1 4.14Å; I203-F229 HydrophobicContact CG2-CD2 3.52Å; I203-F229 HydrophobicContact CG2-CE1 4.13Å; I203-F229 HydrophobicContact CG2-CE2 3.5Å; I203-F229 HydrophobicContact CG2-CG 3.85Å; I203-F229 HydrophobicContact CG2-CZ 3.82Å; I203-F262 HydrophobicContact CD1-CE2 4.24Å; I203-F262 HydrophobicContact CG2-CE1 4.18Å; I203-F262 HydrophobicContact CG2-CE2 4.41Å; I203-F262 HydrophobicContact CG2-CZ 3.82Å
204C98.9Very high98.8Very high20 Ų2028.6 Ų28.614%0.13516%0.155CC..Hα-helixtrans-59.6-44.1179.1-69.50000111.6T200 M201 I207 F208T200-C204 WeakPolarHBondContact O-CB 3.46Å; T200-C204 PolarHBondContact O-N 3.38Å; T200-C204 PolarHBondContact O-SG 3.22Å; M201-C204 PolarHBondContact O-N 3.39Å; C204-I207 PolarHBondContact O-N 3.02Å; C204-F208 HydrophobicContact CB-CD2 4.25Å; C204-F208 HydrophobicContact CB-CE2 4.15Å; C204-F208 WeakPolarHBondContact O-CB 3.3Å; C204-F208 WeakPolarHBondContact O-CD2 3.26Å; C204-F208 WeakPolarHBondContact O-CG 3.28Å; C204-F208 PolarHBondContact O-N 3.33Å
205S98.9Very high98.8Very high19 Ų1928.9 Ų28.913%0.13315%0.154CC..Hα-helixtrans-59.9-49.9178.2-64.70000110.7D151 N153 M201 A202 I203 I207 G209D151-S205 PolarHBondContact OD1-OG 2.7Å; N153-S205 VanDerWaalsContact CB-O 3.27Å; N153-S205 WeakPolarHBondContact CB-O 3.47Å; M201-S205 WeakPolarHBondContact O-CB 3.42Å; M201-S205 PolarHBondContact O-N 2.96Å; M201-S205 PolarHBondContact O-OG 2.9Å; A202-S205 PolarHBondContact O-N 3.31Å; I203-S205 VanDerWaalsContact C-N 3.33Å; I203-S205 PolarHBondContact O-N 3.06Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 2.9Å; S205-G209 WeakPolarHBondContact O-CA 3.41Å; S205-G209 PolarHBondContact O-N 3.22Å
206M98.9Very high98.8Very high1 Ų133.1 Ų33.11%0.00518%0.182CC..Hα-helixtrans-62.6-38.7178.3-67-172.177.500113.2L152 Y161 A202 I203 G210 I211 F212 L218 V220 F222L152-M206 HydrophobicContact CB-CG 3.46Å; L152-M206 VanDerWaalsContact CB-CG 3.46Å; L152-M206 HydrophobicContact CB-SD 4.15Å; L152-M206 HydrophobicContact CD1-CG 4.03Å; L152-M206 HydrophobicContact CD1-SD 3.71Å; L152-M206 HydrophobicContact CG-CG 4.4Å; Y161-M206 HydrophobicContact CE1-CE 3.86Å; A202-M206 WeakPolarHBondContact O-CG 3.4Å; A202-M206 PolarHBondContact O-N 2.9Å; I203-M206 PolarHBondContact O-N 3.25Å; M206-G210 PolarHBondContact O-N 3.06Å; M206-I211 HydrophobicContact CB-CB 4.22Å; M206-I211 HydrophobicContact CB-CG1 4.27Å; M206-I211 HydrophobicContact CE-CB 4.17Å; M206-I211 HydrophobicContact CE-CG2 3.6Å; M206-I211 HydrophobicContact CG-CG1 4.43Å; M206-I211 WeakPolarHBondContact O-CB 3.13Å; M206-I211 PolarHBondContact O-N 2.84Å; M206-F212 HydrophobicContact CB-CD2 4.37Å; M206-F212 HydrophobicContact CB-CE2 3.7Å; M206-F212 HydrophobicContact CB-CZ 4.12Å; M206-F212 HydrophobicContact CE-CE1 4.22Å; M206-F212 HydrophobicContact CE-CZ 4.06Å; M206-F212 HydrophobicContact SD-CZ 4.22Å; M206-L218 HydrophobicContact CE-CD2 4.25Å; M206-V220 HydrophobicContact CE-CG1 4.42Å; M206-V220 HydrophobicContact CE-CG2 3.97Å; M206-V220 HydrophobicContact SD-CG1 4.21Å; M206-F222 HydrophobicContact SD-CE1 4.14Å; M206-F222 HydrophobicContact SD-CZ 3.63Å
207I98.9Very high98.8Very high2 Ų239.6 Ų39.61%0.0121%0.207CC..Hα-helixtrans-67.7-56.2177.7-73.3175.1000111.2I203 C204 S205 G209 G210 F212 F229 N251 P255 Y258 F262I203-I207 HydrophobicContact CG2-CD1 3.74Å; I203-I207 HydrophobicContact CG2-CG1 4.45Å; I203-I207 WeakPolarHBondContact O-CB 3.43Å; I203-I207 WeakPolarHBondContact O-CG1 3.32Å; I203-I207 PolarHBondContact O-N 3.3Å; C204-I207 PolarHBondContact O-N 3.02Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 2.9Å; I207-G209 VanDerWaalsContact C-N 3.28Å; I207-G209 PolarHBondContact O-N 3.14Å; I207-G210 PolarHBondContact O-N 2.78Å; I207-F212 HydrophobicContact CG1-CD2 4.07Å; I207-F212 HydrophobicContact CG1-CE2 4.05Å; I207-F229 HydrophobicContact CD1-CE2 4.08Å; I207-F229 HydrophobicContact CD1-CZ 3.85Å; I207-N251 PolarHBondContact O-ND2 3.48Å; I207-P255 HydrophobicContact CG2-CB 3.89Å; I207-P255 HydrophobicContact CG2-CG 4.03Å; I207-Y258 HydrophobicContact CB-CD2 4.35Å; I207-Y258 HydrophobicContact CG1-CD2 4.1Å; I207-Y258 HydrophobicContact CG1-CG 4.16Å; I207-Y258 HydrophobicContact CG2-CD2 3.61Å; I207-Y258 HydrophobicContact CG2-CE2 3.93Å; I207-Y258 HydrophobicContact CG2-CG 4.49Å; I207-F262 HydrophobicContact CD1-CE1 4.19Å
208F98.8Very high98.8Very high50 Ų5037 Ų3722%0.21919%0.19CC..Hα-helixtrans-67.2-31.3-177.1-65.1-28.6000112.2C204 G210 I236 H240 C247 D250 N251 P255C204-F208 HydrophobicContact CB-CD2 4.25Å; C204-F208 HydrophobicContact CB-CE2 4.15Å; C204-F208 WeakPolarHBondContact O-CB 3.3Å; C204-F208 WeakPolarHBondContact O-CD2 3.26Å; C204-F208 WeakPolarHBondContact O-CG 3.28Å; C204-F208 PolarHBondContact O-N 3.33Å; F208-G210 PolarHBondContact O-N 3.09Å; F208-I236 HydrophobicContact CE1-CG2 4.29Å; F208-I236 HydrophobicContact CZ-CG2 3.71Å; F208-H240 AromaticContact CD1-CD2 3.87Å; F208-H240 HydrophobicContact CE1-CB 4.14Å; F208-H240 AromaticContact CE1-CD2 3.62Å; F208-C247 HydrophobicContact CE1-CB 4.45Å; F208-C247 HydrophobicContact CZ-CB 4.39Å; F208-D250 WeakPolarHBondContact O-CB 3.49Å; F208-N251 WeakPolarHBondContact O-CB 3.32Å; F208-N251 PolarHBondContact O-N 2.72Å; F208-P255 HydrophobicContact CD1-CG 4.16Å; F208-P255 HydrophobicContact CE1-CG 3.41Å; F208-P255 VanDerWaalsContact CE1-CG 3.41Å; F208-P255 HydrophobicContact CZ-CG 4.29Å
209G98.8Very high98.8Very high20 Ų2038.7 Ų38.721%0.20620%0.197CC..THydrogen-bonded Turntrans-74.4-4.1172.400000115S205 I207 I211S205-G209 WeakPolarHBondContact O-CA 3.41Å; S205-G209 PolarHBondContact O-N 3.22Å; I207-G209 VanDerWaalsContact C-N 3.28Å; I207-G209 PolarHBondContact O-N 3.14Å; G209-I211 VanDerWaalsContact C-N 3.29Å; G209-I211 PolarHBondContact O-N 2.93Å
210G98.7Very high98.8Very high10 Ų1038.7 Ų38.710%0.10320%0.197CC..THydrogen-bonded Turntrans68.124.8178.500000114.1M206 I207 F208 F212 E213 K214M206-G210 PolarHBondContact O-N 3.06Å; I207-G210 PolarHBondContact O-N 2.78Å; F208-G210 PolarHBondContact O-N 3.09Å; G210-F212 VanDerWaalsContact C-N 3.32Å; G210-F212 PolarHBondContact O-N 3.36Å; G210-E213 WeakPolarHBondContact O-CB 3.37Å; G210-E213 PolarHBondContact O-N 2.74Å; G210-E213 VanDerWaalsContact O-N 3.16Å; G210-K214 PolarHBondContact O-N 2.95Å
211I98.8Very high98.8Very high2 Ų238 Ų381%0.0119%0.193CC..Hα-helixtrans-62.4-43.2-178.4-57.4-57000110.5I158 Y161 M206 G209 E213 K214 F215 L218I158-I211 HydrophobicContact CD1-CD1 3.88Å; Y161-I211 HydrophobicContact CD1-CG2 4.22Å; Y161-I211 HydrophobicContact CD2-CD1 4.05Å; Y161-I211 HydrophobicContact CD2-CG2 3.83Å; Y161-I211 HydrophobicContact CE1-CG2 4.35Å; Y161-I211 HydrophobicContact CE2-CD1 3.84Å; Y161-I211 HydrophobicContact CE2-CG1 4.24Å; Y161-I211 HydrophobicContact CE2-CG2 3.98Å; Y161-I211 HydrophobicContact CG-CG2 3.98Å; M206-I211 HydrophobicContact CB-CB 4.22Å; M206-I211 HydrophobicContact CB-CG1 4.27Å; M206-I211 HydrophobicContact CE-CB 4.17Å; M206-I211 HydrophobicContact CE-CG2 3.6Å; M206-I211 HydrophobicContact CG-CG1 4.43Å; M206-I211 WeakPolarHBondContact O-CB 3.13Å; M206-I211 PolarHBondContact O-N 2.84Å; G209-I211 VanDerWaalsContact C-N 3.29Å; G209-I211 PolarHBondContact O-N 2.93Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.79Å; I211-K214 PolarHBondContact O-N 2.93Å; I211-F215 HydrophobicContact CG2-CD2 4.09Å; I211-F215 WeakPolarHBondContact O-CD2 3.12Å; I211-F215 PolarHBondContact O-N 3.4Å; I211-L218 HydrophobicContact CG2-CD2 4.22Å
212F98.8Very high98.8Very high10 Ų1034.1 Ų34.14%0.04417%0.174CC..Hα-helixtrans-70.8-21.7177.3-60.3-62.8000113.8M206 I207 G210 P216 V220 F222 Y258 F262M206-F212 HydrophobicContact CB-CD2 4.37Å; M206-F212 HydrophobicContact CB-CE2 3.7Å; M206-F212 HydrophobicContact CB-CZ 4.12Å; M206-F212 HydrophobicContact CE-CE1 4.22Å; M206-F212 HydrophobicContact CE-CZ 4.06Å; M206-F212 HydrophobicContact SD-CZ 4.22Å; I207-F212 HydrophobicContact CG1-CD2 4.07Å; I207-F212 HydrophobicContact CG1-CE2 4.05Å; G210-F212 VanDerWaalsContact C-N 3.32Å; G210-F212 PolarHBondContact O-N 3.36Å; F212-P216 WeakPolarHBondContact O-CA 3.47Å; F212-V220 HydrophobicContact CE1-CB 4.11Å; F212-V220 HydrophobicContact CE1-CG2 3.82Å; F212-V220 HydrophobicContact CZ-CB 4.42Å; F212-V220 HydrophobicContact CZ-CG2 4.43Å; F212-F222 HydrophobicContact CZ-CE2 4.32Å; F212-F222 HydrophobicContact CZ-CZ 4.45Å; F212-Y258 HydrophobicContact CB-CD1 3.61Å; F212-Y258 HydrophobicContact CB-CE1 3.76Å; F212-Y258 HydrophobicContact CD2-CD1 4.22Å; F212-Y258 HydrophobicContact CG-CD1 4.28Å; F212-F262 HydrophobicContact CE1-CB 4.1Å; F212-F262 HydrophobicContact CE2-CD1 4.06Å; F212-F262 HydrophobicContact CZ-CB 3.92Å; F212-F262 HydrophobicContact CZ-CD1 4.05Å; F212-F262 HydrophobicContact CZ-CG 4.28Å
213E98.4Very high98.8Very high103 Ų10334.1 Ų34.148%0.48117%0.174SC..Hα-helixtrans-72.9-43.4170.1-69.8-61.5117.400111.2G210 I211 I253 Y258G210-E213 WeakPolarHBondContact O-CB 3.37Å; G210-E213 PolarHBondContact O-N 2.74Å; G210-E213 VanDerWaalsContact O-N 3.16Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.79Å; E213-I253 HydrophobicContact CG-CG1 4.46Å; E213-Y258 HydrophobicContact CG-CE1 4.22Å; E213-Y258 WeakPolarHBondContact CG-OH 3.28Å; E213-Y258 WeakPolarHBondContact OE1-CE1 3.38Å; E213-Y258 VanDerWaalsContact OE1-CZ 3.23Å; E213-Y258 PolarHBondContact OE1-OH 3.49Å
214K98.6Very high98.8Very high127 Ų12735.4 Ų35.455%0.55218%0.18SC*.Hα-helixtrans-72.5-34.1-177.5-172.6175.1-75.9-173.90112I158 G210 I211 P216I158-K214 HydrophobicContact CD1-CD 4.13Å; I158-K214 HydrophobicContact CG2-CD 4.26Å; G210-K214 PolarHBondContact O-N 2.95Å; I211-K214 PolarHBondContact O-N 2.93Å; K214-P216 WeakPolarHBondContact O-CD 3.4Å
215F98.8Very high98.8Very high13 Ų1334.5 Ų34.56%0.05717%0.174CC..  trans-127.571.2-176.3-52.5-72.2000111.2I158 Y161 A162 E165 I211 K217 L218I158-F215 HydrophobicContact CD1-CE2 4.1Å; I158-F215 HydrophobicContact CG2-CE2 4.41Å; I158-F215 HydrophobicContact CG2-CZ 3.95Å; Y161-F215 VanDerWaalsContact CB-CE2 3.4Å; Y161-F215 HydrophobicContact CD2-CE2 4.22Å; Y161-F215 HydrophobicContact CG-CD2 4.3Å; Y161-F215 HydrophobicContact CG-CE2 4.23Å; A162-F215 VanDerWaalsContact CA-CE1 3.45Å; A162-F215 HydrophobicContact CB-CE1 3.64Å; A162-F215 HydrophobicContact CB-CZ 4.03Å; E165-F215 VanDerWaalsContact OE1-CA 3.22Å; E165-F215 WeakPolarHBondContact OE1-CA 3.47Å; I211-F215 HydrophobicContact CG2-CD2 4.09Å; I211-F215 WeakPolarHBondContact O-CD2 3.12Å; I211-F215 PolarHBondContact O-N 3.4Å; F215-K217 PolarHBondContact O-N 3.36Å; F215-L218 HydrophobicContact CB-CB 3.88Å; F215-L218 HydrophobicContact CB-CD2 4.39Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 3.04Å; F215-L218 VanDerWaalsContact O-N 3.13Å
216P98.3Very high98.8Very high102 Ų10233.6 Ų33.666%0.66217%0.168SC*.THydrogen-bonded Turntrans-70.1-12.6-172.129.2-36.9000114.6E165 F212 K214E165-P216 WeakPolarHBondContact OE1-CD 3.22Å; F212-P216 WeakPolarHBondContact O-CA 3.47Å; K214-P216 WeakPolarHBondContact O-CD 3.4Å
217K98.6Very high98.8Very high170 Ų17034.5 Ų34.574%0.73918%0.178SC*.THydrogen-bonded Turntrans-101.4-0.6175.5-57.4175.6-178.1173.30112.5E165 F215 K219E165-K217 HydrophobicContact CG-CB 3.81Å; E165-K217 WeakPolarHBondContact OE1-CA 3.42Å; E165-K217 WeakPolarHBondContact OE1-CB 3.48Å; E165-K217 PolarHBondContact OE1-N 2.87Å; F215-K217 PolarHBondContact O-N 3.36Å; K217-K219 PolarHBondContact O-N 3.07Å
218L98.8Very high98.8Very high7 Ų736.5 Ų36.54%0.03719%0.192CC..  trans-61.8130.4176.9-166.470.2000110.1Y161 A164 E165 I171 M206 I211 F215 V220Y161-L218 HydrophobicContact CD1-CD2 3.71Å; Y161-L218 HydrophobicContact CE1-CD2 4.45Å; Y161-L218 HydrophobicContact CG-CD2 4.29Å; A164-L218 HydrophobicContact CB-CD1 3.67Å; E165-L218 HydrophobicContact CB-CD1 4.21Å; E165-L218 PolarHBondContact OE1-N 3.09Å; I171-L218 HydrophobicContact CD1-CD1 3.77Å; I171-L218 HydrophobicContact CD1-CD2 4.14Å; I171-L218 HydrophobicContact CD1-CG 4.13Å; M206-L218 HydrophobicContact CE-CD2 4.25Å; I211-L218 HydrophobicContact CG2-CD2 4.22Å; F215-L218 HydrophobicContact CB-CB 3.88Å; F215-L218 HydrophobicContact CB-CD2 4.39Å; F215-L218 WeakPolarHBondContact O-CB 3.47Å; F215-L218 PolarHBondContact O-N 3.04Å; F215-L218 VanDerWaalsContact O-N 3.13Å; L218-V220 HydrophobicContact CD2-CG2 3.63Å; L218-V220 HydrophobicContact CG-CG2 3.76Å
219K98.9Very high98.8Very high60 Ų6034.1 Ų34.126%0.26118%0.182SC..  trans-101.2107.9177.7-61-174.5-173.3178.90109.5I171 K217 E327 F328I171-K219 PolarHBondContact N-O 3.32Å; K217-K219 PolarHBondContact O-N 3.07Å; K219-E327 PolarHBondContact NZ-O 2.8Å; K219-F328 HydrophobicContact CB-CD2 4.02Å; K219-F328 HydrophobicContact CB-CE2 4.08Å; K219-F328 WeakPolarHBondContact CD-O 3.42Å; K219-F328 PolarHBondContact NZ-O 3.29Å
220V99Very high98.8Very high0 Ų033.7 Ų33.70%018%0.175CC..EExtended strand (participates in β ladder)trans-119.8133.3-178.6-171.80000109.4I171 V173 M206 F212 L218 F222 F262 Y263I171-V220 HydrophobicContact CD1-CG2 4.5Å; I171-V220 CarbonylContact O-C 3.48Å; I171-V220 WeakPolarHBondContact O-CA 3.21Å; V173-V220 HydrophobicContact CG2-CG1 3.81Å; M206-V220 HydrophobicContact CE-CG1 4.42Å; M206-V220 HydrophobicContact CE-CG2 3.97Å; M206-V220 HydrophobicContact SD-CG1 4.21Å; F212-V220 HydrophobicContact CE1-CB 4.11Å; F212-V220 HydrophobicContact CE1-CG2 3.82Å; F212-V220 HydrophobicContact CZ-CB 4.42Å; F212-V220 HydrophobicContact CZ-CG2 4.43Å; L218-V220 HydrophobicContact CD2-CG2 3.63Å; L218-V220 HydrophobicContact CG-CG2 3.76Å; V220-F222 HydrophobicContact CB-CE2 4.42Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.3Å; V220-F222 HydrophobicContact CG1-CE2 3.66Å; V220-F222 HydrophobicContact CG1-CZ 3.69Å; V220-F262 HydrophobicContact CB-CB 4.44Å; V220-Y263 PolarHBondContact O-N 2.98Å
221C99Very high98.8Very high0 Ų041.1 Ų41.10%021%0.205CC..EExtended strand (participates in β ladder)trans-121.6134.7172178.70000109.8I171 F172 V173 Y263 T264 M287 F328I171-C221 PolarHBondContact O-N 2.77Å; F172-C221 CarbonylContact C-O 3.59Å; F172-C221 WeakPolarHBondContact CA-O 3.09Å; F172-C221 HydrophobicContact CD2-CB 3.9Å; V173-C221 PolarHBondContact N-O 2.81Å; C221-Y263 CarbonylContact C-O 3.57Å; C221-Y263 VanDerWaalsContact CA-O 3.28Å; C221-Y263 WeakPolarHBondContact CA-O 3.31Å; C221-T264 VanDerWaalsContact SG-C 3.57Å; C221-M287 HydrophobicContact CB-CE 3.69Å; C221-M287 WeakPolarHBondContact SG-CE 3.49Å; C221-F328 HydrophobicContact CB-CD2 4.31Å; C221-F328 HydrophobicContact CB-CE1 4.04Å; C221-F328 HydrophobicContact CB-CE2 3.62Å; C221-F328 HydrophobicContact CB-CZ 3.46Å; C221-F328 VanDerWaalsContact CB-CZ 3.46Å
222F99Very high98.8Very high0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-106.8135.7175.9-63-87.8000111.5V173 T199 A202 I203 M206 F212 V220 F262 Y263 T264 D265V173-F222 HydrophobicContact CB-CD1 3.63Å; V173-F222 HydrophobicContact CB-CE1 3.91Å; V173-F222 HydrophobicContact CB-CG 4.46Å; V173-F222 HydrophobicContact CG1-CD1 3.84Å; V173-F222 HydrophobicContact CG1-CE1 3.97Å; V173-F222 HydrophobicContact CG2-CD1 4.09Å; V173-F222 HydrophobicContact CG2-CE1 3.89Å; T199-F222 HydrophobicContact CG2-CB 3.74Å; T199-F222 HydrophobicContact CG2-CD1 4.18Å; T199-F222 HydrophobicContact CG2-CG 4.32Å; A202-F222 HydrophobicContact CB-CD1 4.48Å; A202-F222 HydrophobicContact CB-CE1 4.07Å; I203-F222 HydrophobicContact CB-CZ 4.39Å; I203-F222 HydrophobicContact CD1-CB 4.19Å; I203-F222 HydrophobicContact CD1-CD1 4.29Å; I203-F222 HydrophobicContact CD1-CD2 4.04Å; I203-F222 HydrophobicContact CD1-CG 3.92Å; I203-F222 HydrophobicContact CG1-CB 4.39Å; I203-F222 HydrophobicContact CG1-CD1 3.6Å; I203-F222 HydrophobicContact CG1-CD2 3.63Å; I203-F222 HydrophobicContact CG1-CE1 3.62Å; I203-F222 HydrophobicContact CG1-CE2 3.65Å; I203-F222 HydrophobicContact CG1-CG 3.6Å; I203-F222 HydrophobicContact CG1-CZ 3.63Å; M206-F222 HydrophobicContact SD-CE1 4.14Å; M206-F222 HydrophobicContact SD-CZ 3.63Å; F212-F222 HydrophobicContact CZ-CE2 4.32Å; F212-F222 HydrophobicContact CZ-CZ 4.45Å; V220-F222 HydrophobicContact CB-CE2 4.42Å; V220-F222 HydrophobicContact CG1-CD2 4.27Å; V220-F222 HydrophobicContact CG1-CE1 4.3Å; V220-F222 HydrophobicContact CG1-CE2 3.66Å; V220-F222 HydrophobicContact CG1-CZ 3.69Å; F222-F262 HydrophobicContact CD2-CB 4.44Å; F222-F262 AromaticContact CD2-CD2 3.61Å; F222-F262 HydrophobicContact CD2-CD2 3.61Å; F222-F262 HydrophobicContact CD2-CE2 4.14Å; F222-F262 HydrophobicContact CD2-CG 4.2Å; F222-F262 HydrophobicContact CE2-CB 4.02Å; F222-F262 AromaticContact CE2-CD2 3.74Å; F222-F262 HydrophobicContact CE2-CD2 3.74Å; F222-F262 HydrophobicContact CE2-CE2 4.35Å; F222-F262 AromaticContact CE2-CG 3.87Å; F222-F262 HydrophobicContact CE2-CG 3.87Å; F222-Y263 PolarHBondContact N-O 3.26Å; F222-T264 HydrophobicContact CB-CG2 4.49Å; F222-T264 VanDerWaalsContact O-CA 3.26Å; F222-T264 WeakPolarHBondContact O-CA 3.48Å; F222-D265 PolarHBondContact O-N 2.9Å; F222-D265 VanDerWaalsContact O-N 3.09Å
223A98.9Very high98.8Very high0 Ų042.7 Ų42.70%022%0.215CC..SBendtrans-66.6160.517800000113.1F172 V173 G225 G226 D265F172-A223 HydrophobicContact CE1-CB 4.23Å; F172-A223 HydrophobicContact CE2-CB 4.3Å; F172-A223 HydrophobicContact CZ-CB 3.63Å; V173-A223 PolarHBondContact O-N 3.29Å; A223-G225 PolarHBondContact O-N 3.01Å; A223-G226 PolarHBondContact O-N 2.95Å; A223-D265 VanDerWaalsContact CA-OD2 3.28Å; A223-D265 WeakPolarHBondContact CA-OD2 3.49Å
224H98.9Very high98.8Very high27 Ų2739.5 Ų39.513%0.12521%0.21CC..G310 helixtrans56.245.8172.7-44.9105.6000113.7H6 H174 G226 G227 D265 L267H6-H224 AromaticContact CE1-CD2 3.98Å; H6-H224 AromaticContact CE1-CE1 3.77Å; H6-H224 AromaticContact CE1-NE2 3.48Å; H6-H224 PolarHBondContact CE1-NE2 2.86Å; H174-H224 AromaticContact CE1-CE1 3.93Å; H174-H224 AromaticContact NE2-CE1 3.78Å; H224-G226 PolarHBondContact O-N 3.34Å; H224-G226 VanDerWaalsContact O-N 3.16Å; H224-G227 PolarHBondContact O-N 2.91Å; H224-D265 VanDerWaalsContact CA-OD1 3.27Å; H224-D265 WeakPolarHBondContact CA-OD1 3.48Å; H224-D265 PolarHBondContact N-OD1 3.05Å; H224-D265 PolarHBondContact N-OD2 3.35Å; H224-L267 CarbonylContact C-O 3.59Å; H224-L267 WeakPolarHBondContact CA-O 3.14Å
225G98.9Very high98.8Very high1 Ų143.4 Ų43.41%0.0122%0.222CC..G310 helixtrans62.722.1-17900000114.4A223 G227 P230 D265 L277A223-G225 PolarHBondContact O-N 3.01Å; G225-G227 VanDerWaalsContact C-N 3.31Å; G225-P230 WeakPolarHBondContact O-CG 3.49Å; G225-D265 WeakPolarHBondContact CA-O 3.45Å; G225-D265 PolarHBondContact N-OD1 3.16Å; G225-L277 WeakPolarHBondContact O-CD1 3.43Å
226G98.8Very high98.8Very high0 Ų044.1 Ų44.10%023%0.225CC..G310 helixtrans75.921.3-172.700000113.4T199 A223 H224 S228 F229T199-G226 VanDerWaalsContact CG2-C 3.41Å; A223-G226 PolarHBondContact O-N 2.95Å; H224-G226 PolarHBondContact O-N 3.34Å; H224-G226 VanDerWaalsContact O-N 3.16Å; G226-S228 PolarHBondContact O-N 3.46Å; G226-F229 VanDerWaalsContact O-CB 3.25Å; G226-F229 WeakPolarHBondContact O-CB 3.12Å; G226-F229 PolarHBondContact O-N 3.21Å; G226-F229 VanDerWaalsContact O-N 3.17Å
227G98.8Very high98.8Very high21 Ų2141.8 Ų41.822%0.21621%0.206CC..THydrogen-bonded Turntrans63.6-126.7179.100000112.2P196 H224 G225P196-G227 WeakPolarHBondContact O-CA 3.26Å; H224-G227 PolarHBondContact O-N 2.91Å; G225-G227 VanDerWaalsContact C-N 3.31Å
228S98.8Very high98.8Very high44 Ų4439.2 Ų39.231%0.30820%0.196SC..THydrogen-bonded Turntrans-90.60.6177.463.90000114P196 T200 G226 F231 T232P196-S228 PolarHBondContact O-N 2.88Å; T200-S228 WeakPolarHBondContact OG1-CA 3.27Å; T200-S228 PolarHBondContact OG1-N 2.83Å; T200-S228 PolarHBondContact OG1-OG 2.9Å; G226-S228 PolarHBondContact O-N 3.46Å; S228-F231 PolarHBondContact O-N 3.2Å; S228-T232 WeakPolarHBondContact O-CB 3.45Å; S228-T232 WeakPolarHBondContact O-CG2 3.14Å; S228-T232 PolarHBondContact O-N 3.06Å; S228-T232 PolarHBondContact O-OG1 3.35Å
229F98.9Very high98.8Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-59-47.7-175.3-178.6-92.1000113.5T200 I203 I207 G226 F231 T232 V233 I236 L259 F262 I281T200-F229 HydrophobicContact CG2-CB 4.22Å; T200-F229 PolarHBondContact OG1-N 3.33Å; I203-F229 HydrophobicContact CB-CD2 4.12Å; I203-F229 HydrophobicContact CB-CG 4.38Å; I203-F229 HydrophobicContact CD1-CB 3.75Å; I203-F229 HydrophobicContact CD1-CD1 4.34Å; I203-F229 HydrophobicContact CD1-CG 3.98Å; I203-F229 HydrophobicContact CG2-CD1 4.14Å; I203-F229 HydrophobicContact CG2-CD2 3.52Å; I203-F229 HydrophobicContact CG2-CE1 4.13Å; I203-F229 HydrophobicContact CG2-CE2 3.5Å; I203-F229 HydrophobicContact CG2-CG 3.85Å; I203-F229 HydrophobicContact CG2-CZ 3.82Å; I207-F229 HydrophobicContact CD1-CE2 4.08Å; I207-F229 HydrophobicContact CD1-CZ 3.85Å; G226-F229 VanDerWaalsContact O-CB 3.25Å; G226-F229 WeakPolarHBondContact O-CB 3.12Å; G226-F229 PolarHBondContact O-N 3.21Å; G226-F229 VanDerWaalsContact O-N 3.17Å; F229-F231 PolarHBondContact O-N 2.79Å; F229-T232 PolarHBondContact O-N 3.26Å; F229-T232 VanDerWaalsContact O-N 3.09Å; F229-V233 HydrophobicContact CE1-CB 4.19Å; F229-V233 HydrophobicContact CE1-CG2 3.97Å; F229-V233 HydrophobicContact CE2-CG2 4.32Å; F229-V233 HydrophobicContact CZ-CB 4.22Å; F229-V233 HydrophobicContact CZ-CG2 3.7Å; F229-V233 WeakPolarHBondContact O-CB 3.34Å; F229-V233 PolarHBondContact O-N 2.92Å; F229-I236 HydrophobicContact CD2-CD1 3.73Å; F229-I236 HydrophobicContact CE2-CD1 3.95Å; F229-L259 HydrophobicContact CE1-CD2 3.79Å; F229-L259 HydrophobicContact CZ-CD2 4.37Å; F229-F262 HydrophobicContact CD1-CZ 4.21Å; F229-F262 AromaticContact CE1-CZ 3.8Å; F229-F262 HydrophobicContact CE1-CZ 3.8Å; F229-F262 HydrophobicContact CZ-CZ 4.37Å; F229-I281 HydrophobicContact CD1-CD1 4.37Å
230P98.8Very high98.8Very high10 Ų1037.8 Ų37.87%0.06520%0.197CC..Hα-helixtrans-58.5-35.7-177.9-23.833000113.3G225 L277 V280 I281G225-P230 WeakPolarHBondContact O-CG 3.49Å; P230-L277 HydrophobicContact CB-CD1 4.24Å; P230-L277 HydrophobicContact CG-CD1 3.5Å; P230-L277 VanDerWaalsContact CG-CD1 3.5Å; P230-V280 HydrophobicContact CB-CB 4.26Å; P230-V280 HydrophobicContact CB-CG1 4.23Å; P230-I281 HydrophobicContact CG-CD1 4.46Å; P230-I281 HydrophobicContact CG-CG1 4.3Å
231F98.8Very high98.8Very high167 Ų16745.8 Ų45.873%0.73223%0.232SC*.Hα-helixtrans-77-37.2177.4-177.5-104.9000112.6S228 F229 L276S228-F231 PolarHBondContact O-N 3.2Å; F229-F231 PolarHBondContact O-N 2.79Å; F231-L276 HydrophobicContact CB-CD2 4.19Å; F231-L276 HydrophobicContact CD2-CD2 4.03Å
232T98.9Very high98.8Very high38 Ų3849.5 Ų49.523%0.23325%0.254CS..Hα-helixtrans-94.6-6.6-172.1580000114.6S228 F229 G234 R235 I236S228-T232 WeakPolarHBondContact O-CB 3.45Å; S228-T232 WeakPolarHBondContact O-CG2 3.14Å; S228-T232 PolarHBondContact O-N 3.06Å; S228-T232 PolarHBondContact O-OG1 3.35Å; F229-T232 PolarHBondContact O-N 3.26Å; F229-T232 VanDerWaalsContact O-N 3.09Å; T232-G234 PolarHBondContact O-N 3.38Å; T232-G234 VanDerWaalsContact O-N 3.09Å; T232-R235 WeakPolarHBondContact O-CA 3.49Å; T232-R235 WeakPolarHBondContact O-CB 3.26Å; T232-R235 PolarHBondContact O-N 2.91Å; T232-I236 PolarHBondContact O-N 2.82Å; T232-I236 VanDerWaalsContact O-N 3.11Å
233V98.8Very high98.7Very high6 Ų654.9 Ų54.94%0.03627%0.274CS..Hα-helixtrans-54-34.9-175.567.90000113.7F229 R235 I236 E237 L259 V280F229-V233 HydrophobicContact CE1-CB 4.19Å; F229-V233 HydrophobicContact CE1-CG2 3.97Å; F229-V233 HydrophobicContact CE2-CG2 4.32Å; F229-V233 HydrophobicContact CZ-CB 4.22Å; F229-V233 HydrophobicContact CZ-CG2 3.7Å; F229-V233 WeakPolarHBondContact O-CB 3.34Å; F229-V233 PolarHBondContact O-N 2.92Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.4Å; V233-I236 PolarHBondContact O-N 3.3Å; V233-E237 WeakPolarHBondContact O-CB 3.15Å; V233-E237 PolarHBondContact O-N 3.02Å; V233-L259 HydrophobicContact CG2-CD2 4.29Å; V233-V280 HydrophobicContact CG1-CG1 3.97Å
234G98.8Very high98.7Very high37 Ų3758.1 Ų58.138%0.38130%0.295SS..Hα-helixtrans-62.6-38.2175.800000113.1T232 H238T232-G234 PolarHBondContact O-N 3.38Å; T232-G234 VanDerWaalsContact O-N 3.09Å; G234-H238 WeakPolarHBondContact O-CB 3.38Å; G234-H238 PolarHBondContact O-N 2.67Å; G234-H238 VanDerWaalsContact O-N 3.1Å
235R98.8Very high98.7Very high209 Ų20961.2 Ų61.279%0.78931%0.313SS*.Hα-helixtrans-70.3-42174.7179.2179.717580.61.6111.1T232 V233 H238 G239T232-R235 WeakPolarHBondContact O-CA 3.49Å; T232-R235 WeakPolarHBondContact O-CB 3.26Å; T232-R235 PolarHBondContact O-N 2.91Å; V233-R235 VanDerWaalsContact C-N 3.33Å; V233-R235 PolarHBondContact O-N 3.4Å; R235-H238 PolarHBondContact O-N 2.81Å; R235-G239 PolarHBondContact O-N 3.17Å
236I98.8Very high98.6Very high27 Ų2766 Ų6614%0.13834%0.338CS..Hα-helixtrans-61.8-49.1-179.9-66.6162.6000110.4T200 F208 F229 T232 V233 G239 H240 P255T200-I236 HydrophobicContact CG2-CD1 4.29Å; F208-I236 HydrophobicContact CE1-CG2 4.29Å; F208-I236 HydrophobicContact CZ-CG2 3.71Å; F229-I236 HydrophobicContact CD2-CD1 3.73Å; F229-I236 HydrophobicContact CE2-CD1 3.95Å; T232-I236 PolarHBondContact O-N 2.82Å; T232-I236 VanDerWaalsContact O-N 3.11Å; V233-I236 PolarHBondContact O-N 3.3Å; I236-G239 PolarHBondContact O-N 3.44Å; I236-H240 PolarHBondContact O-N 3.21Å; I236-P255 HydrophobicContact CG2-CB 4.26Å; I236-P255 HydrophobicContact CG2-CG 4.19Å
237E98.7Very high98.6Very high53 Ų5367.3 Ų67.325%0.24835%0.347CS..Hα-helixtrans-60.7-46.2175.6174.2-179.7-14900112V233 G239 H240 K241 S254 R256V233-E237 WeakPolarHBondContact O-CB 3.15Å; V233-E237 PolarHBondContact O-N 3.02Å; E237-G239 VanDerWaalsContact C-N 3.31Å; E237-G239 PolarHBondContact O-N 2.92Å; E237-H240 PolarHBondContact O-N 3.16Å; E237-K241 PolarHBondContact O-N 2.88Å; E237-S254 PolarHBondContact OE1-OG 3.42Å; E237-R256 HydrophobicContact CG-CB 4.38Å; E237-R256 VanDerWaalsContact OE1-CB 3.29Å; E237-R256 WeakPolarHBondContact OE1-CB 3.42Å; E237-R256 WeakPolarHBondContact OE1-CD 3.43Å; E237-R256 IonicContact OE1-NE 2.6Å; E237-R256 WeakPolarHBondContact OE2-CD 3.24Å; E237-R256 IonicContact OE2-CZ 3.63Å; E237-R256 IonicContact OE2-NE 3.11Å; E237-R256 PolarHBondContact OE2-NE 3.42Å; E237-R256 IonicContact OE2-NH2 3.77Å
238H98.8Very high98.5Very high116 Ų11667.1 Ų67.154%0.53734%0.343SS..Hα-helixtrans-59.4-45.7177.7-179.167000111.1G234 R235 H240 K241 V242G234-H238 WeakPolarHBondContact O-CB 3.38Å; G234-H238 PolarHBondContact O-N 2.67Å; G234-H238 VanDerWaalsContact O-N 3.1Å; R235-H238 PolarHBondContact O-N 2.81Å; H238-H240 PolarHBondContact O-N 2.94Å; H238-K241 PolarHBondContact O-N 3.26Å; H238-V242 VanDerWaalsContact CE1-CG1 3.46Å; H238-V242 WeakPolarHBondContact CE1-CG1 3.3Å; H238-V242 WeakPolarHBondContact O-CG2 3.5Å; H238-V242 PolarHBondContact O-N 2.93Å
239G98.6Very high98.5Very high25 Ų2569.6 Ų69.626%0.25836%0.356SS..Hα-helixtrans-56.8-47.4175.500000112.8R235 I236 E237 K241 V242 R243R235-G239 PolarHBondContact O-N 3.17Å; I236-G239 PolarHBondContact O-N 3.44Å; E237-G239 VanDerWaalsContact C-N 3.31Å; E237-G239 PolarHBondContact O-N 2.92Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.16Å; G239-V242 PolarHBondContact O-N 3.4Å; G239-R243 PolarHBondContact O-N 2.91Å
240H98.6Very high98.5Very high12 Ų1275 Ų756%0.05639%0.385CS..Hα-helixtrans-57.8-42.4176.1-178.6-86.6000112.2F208 I236 E237 H238 C247 N251 T252 I253 P255F208-H240 AromaticContact CD1-CD2 3.87Å; F208-H240 HydrophobicContact CE1-CB 4.14Å; F208-H240 AromaticContact CE1-CD2 3.62Å; I236-H240 PolarHBondContact O-N 3.21Å; E237-H240 PolarHBondContact O-N 3.16Å; H238-H240 PolarHBondContact O-N 2.94Å; H240-C247 HydrophobicContact CB-CB 4.11Å; H240-C247 PolarHBondContact CD2-O 3.36Å; H240-N251 PolarHBondContact NE2-O 2.88Å; H240-N251 VanDerWaalsContact NE2-O 3.16Å; H240-T252 PolarHBondContact CE1-O 3.38Å; H240-I253 PolarHBondContact CE1-O 3.49Å; H240-P255 HydrophobicContact CB-CG 4.03Å
241K98.4Very high98.4Very high169 Ų16975.1 Ų75.174%0.73539%0.385SS*.Hα-helixtrans-67.2-41.4177.7-178.8179.7177.7-179.60113.7E237 H238 G239E237-K241 PolarHBondContact O-N 2.88Å; H238-K241 PolarHBondContact O-N 3.26Å; G239-K241 VanDerWaalsContact C-N 3.3Å; G239-K241 PolarHBondContact O-N 3.16Å
242V98.6Very high98.4Very high78 Ų7872.5 Ų72.547%0.47338%0.383SS..Hα-helixtrans-91.3-18.7-173.1-57.40000113.8H238 G239H238-V242 VanDerWaalsContact CE1-CG1 3.46Å; H238-V242 WeakPolarHBondContact CE1-CG1 3.3Å; H238-V242 WeakPolarHBondContact O-CG2 3.5Å; H238-V242 PolarHBondContact O-N 2.93Å; G239-V242 PolarHBondContact O-N 3.4Å
243R98.4Very high98.4Very high112 Ų11273.5 Ų73.542%0.42339%0.386SS..  trans-129.758175.1-66.9-59.1-57.7-81.23.6111.8G239 D245 L246 C247G239-R243 PolarHBondContact O-N 2.91Å; R243-D245 VanDerWaalsContact C-OD1 3.28Å; R243-D245 VanDerWaalsContact CA-OD1 3.25Å; R243-D245 WeakPolarHBondContact CA-OD1 3.47Å; R243-D245 IonicContact CZ-OD1 2.65Å; R243-D245 IonicContact CZ-OD2 3.78Å; R243-D245 IonicContact NE-OD1 3.39Å; R243-D245 PolarHBondContact NE-OD1 2.96Å; R243-D245 IonicContact NE-OD2 2.87Å; R243-D245 PolarHBondContact NE-OD2 3.13Å; R243-D245 IonicContact NH2-OD1 3.64Å; R243-D245 IonicContact NH2-OD2 3.83Å; R243-D245 PolarHBondContact NH2-OD2 2.94Å; R243-D245 PolarHBondContact O-N 3.29Å; R243-L246 HydrophobicContact CB-CB 4.4Å; R243-L246 HydrophobicContact CB-CD1 4.32Å; R243-L246 HydrophobicContact CB-CG 4.37Å; R243-L246 VanDerWaalsContact CZ-CD1 3.43Å; R243-L246 VanDerWaalsContact NH2-CD1 3.3Å; R243-L246 PolarHBondContact O-N 3.48Å; R243-C247 PolarHBondContact O-N 3.03Å
244P98.2Very high98.3Very high68 Ų6874.9 Ų74.944%0.44240%0.396SS..Hα-helixtrans-62-25.1177.427.9-35.4000112L246 A248P244-L246 PolarHBondContact O-N 3.23Å; P244-A248 HydrophobicContact CB-CB 3.8Å; P244-A248 WeakPolarHBondContact O-CA 3.42Å; P244-A248 WeakPolarHBondContact O-CB 3.32Å; P244-A248 PolarHBondContact O-N 3.4Å
245D98.3Very high98.3Very high93 Ų9373.2 Ų73.250%0.49738%0.378SS..Hα-helixtrans-59.6-22.6172.463.6-60.6000113.7R243 V249R243-D245 VanDerWaalsContact C-OD1 3.28Å; R243-D245 VanDerWaalsContact CA-OD1 3.25Å; R243-D245 WeakPolarHBondContact CA-OD1 3.47Å; R243-D245 IonicContact CZ-OD1 2.65Å; R243-D245 IonicContact CZ-OD2 3.78Å; R243-D245 IonicContact NE-OD1 3.39Å; R243-D245 PolarHBondContact NE-OD1 2.96Å; R243-D245 IonicContact NE-OD2 2.87Å; R243-D245 PolarHBondContact NE-OD2 3.13Å; R243-D245 IonicContact NH2-OD1 3.64Å; R243-D245 IonicContact NH2-OD2 3.83Å; R243-D245 PolarHBondContact NH2-OD2 2.94Å; R243-D245 PolarHBondContact O-N 3.29Å; D245-V249 WeakPolarHBondContact O-CG1 3.27Å
246L98.2Very high98.2Very high102 Ų10269 Ų6953%0.53436%0.363SS..Hα-helixtrans-106-41.8175.7-58.5-176.4000112.5R243 P244R243-L246 HydrophobicContact CB-CB 4.4Å; R243-L246 HydrophobicContact CB-CD1 4.32Å; R243-L246 HydrophobicContact CB-CG 4.37Å; R243-L246 VanDerWaalsContact CZ-CD1 3.43Å; R243-L246 VanDerWaalsContact NH2-CD1 3.3Å; R243-L246 PolarHBondContact O-N 3.48Å; P244-L246 PolarHBondContact O-N 3.23Å
247C98Very high98.2Very high27 Ų2775.4 Ų75.418%0.18239%0.389CS..Hα-helixtrans-100.6-22.7-166.1-60.90000114.2F208 H240 R243F208-C247 HydrophobicContact CE1-CB 4.45Å; F208-C247 HydrophobicContact CZ-CB 4.39Å; H240-C247 HydrophobicContact CB-CB 4.11Å; H240-C247 PolarHBondContact CD2-O 3.36Å; R243-C247 PolarHBondContact O-N 3.03Å
248A97.4Very high98.1Very high16 Ų1673 Ų7313%0.13238%0.378CS..SBendtrans-106.124.7-175.800000112.2P244 N251P244-A248 HydrophobicContact CB-CB 3.8Å; P244-A248 WeakPolarHBondContact O-CA 3.42Å; P244-A248 WeakPolarHBondContact O-CB 3.32Å; P244-A248 PolarHBondContact O-N 3.4Å; A248-N251 WeakPolarHBondContact CA-O 2.98Å
249V97.9Very high98.1Very high96 Ų9669.7 Ų69.758%0.58236%0.364SS*.SBendtrans-69.1-39.6-175.1-64.50000112.5D245D245-V249 WeakPolarHBondContact O-CG1 3.27Å
250D98.1Very high98Very high114 Ų11470.1 Ų70.161%0.6137%0.368SS*.SBendtrans-106.4-29.5179.7-61.1-41.9000112.3F208F208-D250 WeakPolarHBondContact O-CB 3.49Å
251N98.4Very high98Very high13 Ų1372 Ų727%0.0738%0.383CS..  trans-139.8119.3179.6-173.612.8000112.5I207 F208 H240 A248 I253 Y258I207-N251 PolarHBondContact O-ND2 3.48Å; F208-N251 WeakPolarHBondContact O-CB 3.32Å; F208-N251 PolarHBondContact O-N 2.72Å; H240-N251 PolarHBondContact NE2-O 2.88Å; H240-N251 VanDerWaalsContact NE2-O 3.16Å; A248-N251 WeakPolarHBondContact CA-O 2.98Å; N251-I253 WeakPolarHBondContact OD1-CB 3.34Å; N251-I253 WeakPolarHBondContact OD1-CG1 3.18Å; N251-I253 PolarHBondContact OD1-N 2.95Å; N251-I253 VanDerWaalsContact OD1-N 3.16Å; N251-Y258 PolarHBondContact ND2-OH 3.38Å
252T98.1Very high98Very high111 Ų11164 Ų6468%0.68135%0.348SS*.  trans-86-9-177.360.60000113.9H240H240-T252 PolarHBondContact CE1-O 3.38Å
253I98.4Very high98Very high60 Ų6060.9 Ų60.931%0.30833%0.328SS..SBendtrans-75.2135.3-179.9-54.4-56.5000110.3E213 H240 N251 K257 Y258E213-I253 HydrophobicContact CG-CG1 4.46Å; H240-I253 PolarHBondContact CE1-O 3.49Å; N251-I253 WeakPolarHBondContact OD1-CB 3.34Å; N251-I253 WeakPolarHBondContact OD1-CG1 3.18Å; N251-I253 PolarHBondContact OD1-N 2.95Å; N251-I253 VanDerWaalsContact OD1-N 3.16Å; I253-K257 HydrophobicContact CG2-CB 3.72Å; I253-K257 HydrophobicContact CG2-CG 3.95Å; I253-Y258 HydrophobicContact CB-CE2 4.09Å; I253-Y258 WeakPolarHBondContact CB-OH 3.41Å; I253-Y258 HydrophobicContact CG2-CE2 3.85Å; I253-Y258 WeakPolarHBondContact CG2-OH 3.44Å
254S97.8Very high98Very high35 Ų3555.5 Ų55.525%0.24531%0.307CS..  trans-58.2135.7178168.30000111.2E237 R256 K257E237-S254 PolarHBondContact OE1-OG 3.42Å; S254-R256 PolarHBondContact O-N 3.43Å; S254-R256 PolarHBondContact OG-N 3.28Å; S254-K257 WeakPolarHBondContact O-CB 3.15Å; S254-K257 PolarHBondContact O-N 2.92Å
255P97.7Very high98.1Very high1 Ų152.3 Ų52.31%0.00629%0.286CS..G310 helixtrans-51.1-32.7175.3-32.238.5000114.6I207 F208 I236 H240 K257 Y258I207-P255 HydrophobicContact CG2-CB 3.89Å; I207-P255 HydrophobicContact CG2-CG 4.03Å; F208-P255 HydrophobicContact CD1-CG 4.16Å; F208-P255 HydrophobicContact CE1-CG 3.41Å; F208-P255 VanDerWaalsContact CE1-CG 3.41Å; F208-P255 HydrophobicContact CZ-CG 4.29Å; I236-P255 HydrophobicContact CG2-CB 4.26Å; I236-P255 HydrophobicContact CG2-CG 4.19Å; H240-P255 HydrophobicContact CB-CG 4.03Å; P255-K257 PolarHBondContact O-N 2.95Å; P255-Y258 PolarHBondContact O-N 3.35Å; P255-Y258 VanDerWaalsContact O-N 3.12Å
256R96.6Very high98.1Very high122 Ų12248 Ų4846%0.4626%0.264SS..G310 helixtrans-64.3-22.9180-176168.1-75.7-122.5-5.5112.8E237 S254 Y258 L259E237-R256 HydrophobicContact CG-CB 4.38Å; E237-R256 VanDerWaalsContact OE1-CB 3.29Å; E237-R256 WeakPolarHBondContact OE1-CB 3.42Å; E237-R256 WeakPolarHBondContact OE1-CD 3.43Å; E237-R256 IonicContact OE1-NE 2.6Å; E237-R256 WeakPolarHBondContact OE2-CD 3.24Å; E237-R256 IonicContact OE2-CZ 3.63Å; E237-R256 IonicContact OE2-NE 3.11Å; E237-R256 PolarHBondContact OE2-NE 3.42Å; E237-R256 IonicContact OE2-NH2 3.77Å; S254-R256 PolarHBondContact O-N 3.43Å; S254-R256 PolarHBondContact OG-N 3.28Å; R256-Y258 PolarHBondContact O-N 3.01Å; R256-L259 HydrophobicContact CG-CD1 3.95Å; R256-L259 WeakPolarHBondContact O-CG 3.28Å; R256-L259 PolarHBondContact O-N 3.31Å
257K98.3Very high98.1Very high160 Ų16043.6 Ų43.670%0.69624%0.241SC*.G310 helixtrans-70.1-18.3176.4-68.8-70-173.4175.20113.4I253 S254 P255I253-K257 HydrophobicContact CG2-CB 3.72Å; I253-K257 HydrophobicContact CG2-CG 3.95Å; S254-K257 WeakPolarHBondContact O-CB 3.15Å; S254-K257 PolarHBondContact O-N 2.92Å; P255-K257 PolarHBondContact O-N 2.95Å
258Y98.6Very high98.2Very high4 Ų443.7 Ų43.72%0.01624%0.241CC..G310 helixtrans-91.9-1.5177.3-58.7-75.7000113.7I207 F212 E213 N251 I253 P255 R256 G260 S261I207-Y258 HydrophobicContact CB-CD2 4.35Å; I207-Y258 HydrophobicContact CG1-CD2 4.1Å; I207-Y258 HydrophobicContact CG1-CG 4.16Å; I207-Y258 HydrophobicContact CG2-CD2 3.61Å; I207-Y258 HydrophobicContact CG2-CE2 3.93Å; I207-Y258 HydrophobicContact CG2-CG 4.49Å; F212-Y258 HydrophobicContact CB-CD1 3.61Å; F212-Y258 HydrophobicContact CB-CE1 3.76Å; F212-Y258 HydrophobicContact CD2-CD1 4.22Å; F212-Y258 HydrophobicContact CG-CD1 4.28Å; E213-Y258 HydrophobicContact CG-CE1 4.22Å; E213-Y258 WeakPolarHBondContact CG-OH 3.28Å; E213-Y258 WeakPolarHBondContact OE1-CE1 3.38Å; E213-Y258 VanDerWaalsContact OE1-CZ 3.23Å; E213-Y258 PolarHBondContact OE1-OH 3.49Å; N251-Y258 PolarHBondContact ND2-OH 3.38Å; I253-Y258 HydrophobicContact CB-CE2 4.09Å; I253-Y258 WeakPolarHBondContact CB-OH 3.41Å; I253-Y258 HydrophobicContact CG2-CE2 3.85Å; I253-Y258 WeakPolarHBondContact CG2-OH 3.44Å; P255-Y258 PolarHBondContact O-N 3.35Å; P255-Y258 VanDerWaalsContact O-N 3.12Å; R256-Y258 PolarHBondContact O-N 3.01Å; Y258-G260 PolarHBondContact O-N 2.81Å; Y258-G260 VanDerWaalsContact O-N 3.13Å; Y258-S261 WeakPolarHBondContact CA-OG 3.31Å; Y258-S261 VanDerWaalsContact O-CB 3.28Å; Y258-S261 WeakPolarHBondContact O-CB 3.46Å; Y258-S261 PolarHBondContact O-N 2.94Å; Y258-S261 PolarHBondContact O-OG 3.48Å
259L98Very high98.2Very high46 Ų4648 Ų4824%0.24126%0.258CS..THydrogen-bonded Turntrans-62.3118.4169.3-63.6-176.7000108.5F229 V233 R256 V280F229-L259 HydrophobicContact CE1-CD2 3.79Å; F229-L259 HydrophobicContact CZ-CD2 4.37Å; V233-L259 HydrophobicContact CG2-CD2 4.29Å; R256-L259 HydrophobicContact CG-CD1 3.95Å; R256-L259 WeakPolarHBondContact O-CG 3.28Å; R256-L259 PolarHBondContact O-N 3.31Å; L259-V280 HydrophobicContact CD1-CG1 4.21Å; L259-V280 HydrophobicContact CD2-CG1 3.96Å
260G95.8Very high98.3Very high33 Ų3346.6 Ų46.634%0.3425%0.247SC..THydrogen-bonded Turntrans98.2-7.6-172.400000115.3Y258 K285Y258-G260 PolarHBondContact O-N 2.81Å; Y258-G260 VanDerWaalsContact O-N 3.13Å; G260-K285 WeakPolarHBondContact O-CD 3.49Å; G260-K285 WeakPolarHBondContact O-CE 3.4Å
261S98Very high98.3Very high52 Ų5244.1 Ų44.136%0.36424%0.237SC..THydrogen-bonded Turntrans-84.7-15.7177.9-59.70000113.8Y258Y258-S261 WeakPolarHBondContact CA-OG 3.31Å; Y258-S261 VanDerWaalsContact O-CB 3.28Å; Y258-S261 WeakPolarHBondContact O-CB 3.46Å; Y258-S261 PolarHBondContact O-N 2.94Å; Y258-S261 PolarHBondContact O-OG 3.48Å
262F98.9Very high98.3Very high0 Ų049.9 Ų49.90%027%0.267CS..SBendtrans-137166.5178.160.7-93.1000110.3I203 I207 F212 V220 F222 F229 T264 I281 K285I203-F262 HydrophobicContact CD1-CE2 4.24Å; I203-F262 HydrophobicContact CG2-CE1 4.18Å; I203-F262 HydrophobicContact CG2-CE2 4.41Å; I203-F262 HydrophobicContact CG2-CZ 3.82Å; I207-F262 HydrophobicContact CD1-CE1 4.19Å; F212-F262 HydrophobicContact CE1-CB 4.1Å; F212-F262 HydrophobicContact CE2-CD1 4.06Å; F212-F262 HydrophobicContact CZ-CB 3.92Å; F212-F262 HydrophobicContact CZ-CD1 4.05Å; F212-F262 HydrophobicContact CZ-CG 4.28Å; V220-F262 HydrophobicContact CB-CB 4.44Å; F222-F262 HydrophobicContact CD2-CB 4.44Å; F222-F262 AromaticContact CD2-CD2 3.61Å; F222-F262 HydrophobicContact CD2-CD2 3.61Å; F222-F262 HydrophobicContact CD2-CE2 4.14Å; F222-F262 HydrophobicContact CD2-CG 4.2Å; F222-F262 HydrophobicContact CE2-CB 4.02Å; F222-F262 AromaticContact CE2-CD2 3.74Å; F222-F262 HydrophobicContact CE2-CD2 3.74Å; F222-F262 HydrophobicContact CE2-CE2 4.35Å; F222-F262 AromaticContact CE2-CG 3.87Å; F222-F262 HydrophobicContact CE2-CG 3.87Å; F229-F262 HydrophobicContact CD1-CZ 4.21Å; F229-F262 AromaticContact CE1-CZ 3.8Å; F229-F262 HydrophobicContact CE1-CZ 3.8Å; F229-F262 HydrophobicContact CZ-CZ 4.37Å; F262-T264 HydrophobicContact CD2-CG2 4.46Å; F262-T264 HydrophobicContact CE2-CG2 4.25Å; F262-I281 HydrophobicContact CE2-CD1 3.79Å; F262-I281 HydrophobicContact CZ-CD1 4.04Å; F262-K285 WeakPolarHBondContact O-CB 3.48Å; F262-K285 WeakPolarHBondContact O-CD 3.35Å
263Y98.9Very high98.3Very high13 Ų1347 Ų475%0.05125%0.251CS..EExtended strand (participates in β ladder)trans-104.4162.9179.6-61.4-108.2000110.8V220 C221 F222 D284 K285 M287 E327 F328V220-Y263 PolarHBondContact O-N 2.98Å; C221-Y263 CarbonylContact C-O 3.57Å; C221-Y263 VanDerWaalsContact CA-O 3.28Å; C221-Y263 WeakPolarHBondContact CA-O 3.31Å; F222-Y263 PolarHBondContact N-O 3.26Å; Y263-D284 WeakPolarHBondContact CE1-O 3.33Å; Y263-K285 CarbonylContact C-O 3.52Å; Y263-K285 WeakPolarHBondContact CA-O 3.35Å; Y263-K285 WeakPolarHBondContact CB-O 3.46Å; Y263-K285 HydrophobicContact CD1-CB 4.38Å; Y263-K285 HydrophobicContact CD1-CD 3.87Å; Y263-K285 HydrophobicContact CD2-CD 3.91Å; Y263-K285 HydrophobicContact CE1-CD 3.7Å; Y263-K285 HydrophobicContact CE2-CD 3.73Å; Y263-K285 HydrophobicContact CG-CD 3.95Å; Y263-K285 PolarHBondContact OH-NZ 2.94Å; Y263-M287 HydrophobicContact CD1-CE 4.15Å; Y263-M287 HydrophobicContact CD1-CG 4.19Å; Y263-M287 HydrophobicContact CD1-SD 3.74Å; Y263-M287 HydrophobicContact CE1-SD 4.42Å; Y263-M287 HydrophobicContact CG-CE 4.19Å; Y263-M287 HydrophobicContact CG-SD 4.35Å; Y263-E327 PolarHBondContact OH-OE1 2.74Å; Y263-F328 HydrophobicContact CD1-CB 4.26Å; Y263-F328 AromaticContact CD2-CD2 3.84Å; Y263-F328 HydrophobicContact CD2-CD2 3.84Å; Y263-F328 HydrophobicContact CE1-CB 4.14Å; Y263-F328 HydrophobicContact CE2-CD2 4.18Å; Y263-F328 HydrophobicContact CG-CD2 4.14Å
264T98.9Very high98.4Very high0 Ų044.2 Ų44.20%024%0.236CC..EExtended strand (participates in β ladder)trans-133159.1161.869.70000109.4C221 F222 F262 I281 K285 V286 M287C221-T264 VanDerWaalsContact SG-C 3.57Å; F222-T264 HydrophobicContact CB-CG2 4.49Å; F222-T264 VanDerWaalsContact O-CA 3.26Å; F222-T264 WeakPolarHBondContact O-CA 3.48Å; F262-T264 HydrophobicContact CD2-CG2 4.46Å; F262-T264 HydrophobicContact CE2-CG2 4.25Å; T264-I281 HydrophobicContact CG2-CD1 4.24Å; T264-I281 HydrophobicContact CG2-CG1 4.12Å; T264-I281 HydrophobicContact CG2-CG2 4.24Å; T264-K285 PolarHBondContact N-O 3.29Å; T264-V286 WeakPolarHBondContact O-CA 3.22Å; T264-M287 PolarHBondContact O-N 3.44Å
265D98.9Very high98.4Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-69.2176.615974.427.8000110.9I5 H6 F222 A223 H224 G225 L267 L277 M287I5-D265 HydrophobicContact CG2-CB 4.08Å; H6-D265 IonicContact CE1-OD2 3.58Å; H6-D265 IonicContact CG-OD2 3.02Å; H6-D265 IonicContact ND1-OD2 2.76Å; H6-D265 PolarHBondContact ND1-OD2 3.28Å; F222-D265 PolarHBondContact O-N 2.9Å; F222-D265 VanDerWaalsContact O-N 3.09Å; A223-D265 VanDerWaalsContact CA-OD2 3.28Å; A223-D265 WeakPolarHBondContact CA-OD2 3.49Å; H224-D265 VanDerWaalsContact CA-OD1 3.27Å; H224-D265 WeakPolarHBondContact CA-OD1 3.48Å; H224-D265 PolarHBondContact N-OD1 3.05Å; H224-D265 PolarHBondContact N-OD2 3.35Å; G225-D265 WeakPolarHBondContact CA-O 3.45Å; G225-D265 PolarHBondContact N-OD1 3.16Å; D265-L267 WeakPolarHBondContact OD1-CB 3.48Å; D265-L267 PolarHBondContact OD1-N 3.42Å; D265-L277 WeakPolarHBondContact O-CD2 3.14Å; D265-M287 CarbonylContact C-O 3.53Å; D265-M287 WeakPolarHBondContact CA-O 3.23Å
266S98.9Very high98.5Very high4 Ų448.3 Ų48.33%0.02825%0.252CS..  trans-102.312.3179.266.60000113.3V268 M287 L288S266-V268 VanDerWaalsContact C-N 3.34Å; S266-V268 PolarHBondContact O-N 3.13Å; S266-M287 WeakPolarHBondContact CB-O 3.37Å; S266-M287 PolarHBondContact N-O 2.93Å; S266-M287 PolarHBondContact OG-O 3.46Å; S266-L288 WeakPolarHBondContact OG-CA 3.42Å
267L98.9Very high98.6Very high8 Ų842.6 Ų42.64%0.04223%0.231CC..  trans-81.279.8-169.2-172.961.6000110.9H224 D265 D291 E298H224-L267 CarbonylContact C-O 3.59Å; H224-L267 WeakPolarHBondContact CA-O 3.14Å; D265-L267 WeakPolarHBondContact OD1-CB 3.48Å; D265-L267 PolarHBondContact OD1-N 3.42Å; L267-D291 HydrophobicContact CD2-CB 3.41Å; L267-D291 VanDerWaalsContact CD2-CB 3.41Å; L267-E298 HydrophobicContact CD1-CB 3.89Å
268V98.8Very high98.6Very high30 Ų3035.5 Ų35.518%0.18220%0.201CC..  trans-127.3-1.5-177-59.60000114S266 D270 L274 L277 L304S266-V268 VanDerWaalsContact C-N 3.34Å; S266-V268 PolarHBondContact O-N 3.13Å; V268-D270 PolarHBondContact O-N 3.1Å; V268-L274 HydrophobicContact CG2-CB 3.79Å; V268-L274 HydrophobicContact CG2-CD1 4.43Å; V268-L277 HydrophobicContact CG1-CD2 4.07Å; V268-L304 HydrophobicContact CG2-CD2 4.27Å
269H98.7Very high98.6Very high106 Ų10640.2 Ų40.249%0.49123%0.226SC..  trans60.7-17.2173.5-54.4-73.9000118.3L296H269-L296 PolarHBondContact CE1-O 3.01Å; H269-L296 PolarHBondContact NE2-O 2.83Å
270D98.8Very high98.6Very high67 Ų6739.4 Ų39.436%0.35822%0.223SC..SBendtrans-123.3136.9-174179.3-91000112.3V268 I272 S273 L274V268-D270 PolarHBondContact O-N 3.1Å; D270-I272 PolarHBondContact O-N 3.02Å; D270-I272 WeakPolarHBondContact OD1-CA 3.15Å; D270-I272 VanDerWaalsContact OD1-CB 3.24Å; D270-I272 WeakPolarHBondContact OD1-CB 3.13Å; D270-I272 PolarHBondContact OD1-N 3.2Å; D270-S273 PolarHBondContact O-N 3.48Å; D270-S273 PolarHBondContact OD1-N 3.21Å; D270-S273 VanDerWaalsContact OD1-N 3.16Å; D270-L274 PolarHBondContact O-N 2.86Å
271P98.6Very high98.8Very high62 Ų6238 Ų3840%0.40321%0.208SC..Hα-helixtrans-59-39.3-179.4-27.835.8000114.5S273 L274 K275 L304 M308P271-S273 VanDerWaalsContact C-N 3.32Å; P271-L274 PolarHBondContact O-N 3.32Å; P271-K275 WeakPolarHBondContact O-CB 3.49Å; P271-K275 PolarHBondContact O-N 3.03Å; P271-L304 HydrophobicContact CB-CD1 4.44Å; P271-L304 HydrophobicContact CG-CD1 3.84Å; P271-M308 HydrophobicContact CB-CE 4.45Å; P271-M308 HydrophobicContact CB-SD 3.66Å; P271-M308 VanDerWaalsContact O-CE 3.28Å; P271-M308 WeakPolarHBondContact O-CE 3.28Å
272I98.6Very high98.8Very high134 Ų13436.7 Ų36.769%0.68720%0.203SC*.Hα-helixtrans-67.3-41.3179.9-56.8174.3000109D270 K275 L276D270-I272 PolarHBondContact O-N 3.02Å; D270-I272 WeakPolarHBondContact OD1-CA 3.15Å; D270-I272 VanDerWaalsContact OD1-CB 3.24Å; D270-I272 WeakPolarHBondContact OD1-CB 3.13Å; D270-I272 PolarHBondContact OD1-N 3.2Å; I272-K275 PolarHBondContact O-N 3.2Å; I272-L276 WeakPolarHBondContact O-CB 3.39Å; I272-L276 PolarHBondContact O-N 3.43Å
273S98.8Very high98.7Very high51 Ų5142 Ų4236%0.35723%0.227SC..Hα-helixtrans-65.5-42.5176.9-60.30000111.9D270 P271 K275 L276 L277D270-S273 PolarHBondContact O-N 3.48Å; D270-S273 PolarHBondContact OD1-N 3.21Å; D270-S273 VanDerWaalsContact OD1-N 3.16Å; P271-S273 VanDerWaalsContact C-N 3.32Å; S273-K275 VanDerWaalsContact C-N 3.35Å; S273-K275 PolarHBondContact O-N 2.89Å; S273-L276 PolarHBondContact O-N 3.46Å; S273-L277 VanDerWaalsContact O-CB 3.31Å; S273-L277 WeakPolarHBondContact O-CB 3.12Å; S273-L277 PolarHBondContact O-N 2.87Å
274L98.9Very high98.7Very high0 Ų044.2 Ų44.20%024%0.239CC..Hα-helixtrans-65.3-39.2176.7179.759.6000111.8V268 D270 P271 L277 V278 V286 L304 I305 M308 F311V268-L274 HydrophobicContact CG2-CB 3.79Å; V268-L274 HydrophobicContact CG2-CD1 4.43Å; D270-L274 PolarHBondContact O-N 2.86Å; P271-L274 PolarHBondContact O-N 3.32Å; L274-L277 HydrophobicContact CD1-CD2 4.24Å; L274-L277 WeakPolarHBondContact O-CB 3.36Å; L274-L277 PolarHBondContact O-N 3.11Å; L274-V278 HydrophobicContact CD1-CG2 4.41Å; L274-V278 WeakPolarHBondContact O-CG2 3.36Å; L274-V278 PolarHBondContact O-N 3.47Å; L274-V286 HydrophobicContact CD1-CG1 4.36Å; L274-L304 HydrophobicContact CB-CD2 4.16Å; L274-L304 HydrophobicContact CD2-CD2 4.02Å; L274-L304 HydrophobicContact CD2-CG 3.77Å; L274-I305 HydrophobicContact CD2-CG1 3.95Å; L274-M308 HydrophobicContact CD2-CG 3.7Å; L274-M308 HydrophobicContact CD2-SD 4.15Å; L274-F311 HydrophobicContact CD2-CE2 4.11Å; L274-F311 HydrophobicContact CG-CE2 4.04Å; L274-F311 HydrophobicContact CG-CZ 4.47Å
275K98.8Very high98.7Very high61 Ų6145.7 Ų45.727%0.26525%0.246SC..Hα-helixtrans-61.4-50.6173.7173.8160.7168.938.50111.8P271 I272 S273 L277 V278 D279 M308 E310P271-K275 WeakPolarHBondContact O-CB 3.49Å; P271-K275 PolarHBondContact O-N 3.03Å; I272-K275 PolarHBondContact O-N 3.2Å; S273-K275 VanDerWaalsContact C-N 3.35Å; S273-K275 PolarHBondContact O-N 2.89Å; K275-L277 VanDerWaalsContact C-N 3.27Å; K275-L277 PolarHBondContact O-N 3.11Å; K275-V278 PolarHBondContact O-N 2.76Å; K275-D279 IonicContact NZ-OD1 2.7Å; K275-D279 IonicContact NZ-OD2 3.64Å; K275-D279 PolarHBondContact NZ-OD2 3.12Å; K275-D279 VanDerWaalsContact O-CG 3.31Å; K275-D279 PolarHBondContact O-N 2.88Å; K275-M308 HydrophobicContact CB-CE 3.83Å; K275-E310 WeakPolarHBondContact CD-OE1 3Å; K275-E310 WeakPolarHBondContact CD-OE2 3.38Å; K275-E310 WeakPolarHBondContact CE-OE2 3.4Å; K275-E310 IonicContact NZ-OE2 3.39Å
276L98.9Very high98.7Very high61 Ų6145.7 Ų45.732%0.31925%0.246SC..Hα-helixtrans-57-43.6176.5175.564.8000111.4F231 I272 S273 V278 D279 V280F231-L276 HydrophobicContact CB-CD2 4.19Å; F231-L276 HydrophobicContact CD2-CD2 4.03Å; I272-L276 WeakPolarHBondContact O-CB 3.39Å; I272-L276 PolarHBondContact O-N 3.43Å; S273-L276 PolarHBondContact O-N 3.46Å; L276-V278 PolarHBondContact O-N 3.33Å; L276-D279 PolarHBondContact O-N 3.32Å; L276-V280 HydrophobicContact CD1-CG2 3.79Å; L276-V280 HydrophobicContact CG-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CB 3.48Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.07Å
277L98.9Very high98.7Very high2 Ų245.5 Ų45.51%0.0124%0.244CC..Hα-helixtrans-57.1-50177.9179.867.7000111.3G225 P230 D265 V268 S273 L274 K275 D279 V280 I281 V286G225-L277 WeakPolarHBondContact O-CD1 3.43Å; P230-L277 HydrophobicContact CB-CD1 4.24Å; P230-L277 HydrophobicContact CG-CD1 3.5Å; P230-L277 VanDerWaalsContact CG-CD1 3.5Å; D265-L277 WeakPolarHBondContact O-CD2 3.14Å; V268-L277 HydrophobicContact CG1-CD2 4.07Å; S273-L277 VanDerWaalsContact O-CB 3.31Å; S273-L277 WeakPolarHBondContact O-CB 3.12Å; S273-L277 PolarHBondContact O-N 2.87Å; L274-L277 HydrophobicContact CD1-CD2 4.24Å; L274-L277 WeakPolarHBondContact O-CB 3.36Å; L274-L277 PolarHBondContact O-N 3.11Å; K275-L277 VanDerWaalsContact C-N 3.27Å; K275-L277 PolarHBondContact O-N 3.11Å; L277-D279 VanDerWaalsContact C-N 3.34Å; L277-D279 PolarHBondContact O-N 3.06Å; L277-V280 PolarHBondContact O-N 3.29Å; L277-I281 HydrophobicContact CD1-CB 4.36Å; L277-I281 HydrophobicContact CD1-CG1 3.55Å; L277-I281 HydrophobicContact CG-CG1 4.42Å; L277-I281 VanDerWaalsContact O-CB 3.31Å; L277-I281 WeakPolarHBondContact O-CB 3.46Å; L277-I281 PolarHBondContact O-N 2.96Å; L277-V286 HydrophobicContact CD2-CG1 3.79Å; L277-V286 HydrophobicContact CD2-CG2 4.2Å; L277-V286 HydrophobicContact CG-CG1 4.39Å; L277-V286 HydrophobicContact CG-CG2 3.9Å
278V98.7Very high98.7Very high12 Ų1245.1 Ų45.17%0.07324%0.242CC..Hα-helixtrans-64.5-38.2178.4171.40000111.8L274 K275 L276 V280 G282 K283 V286 F311 L320L274-V278 HydrophobicContact CD1-CG2 4.41Å; L274-V278 WeakPolarHBondContact O-CG2 3.36Å; L274-V278 PolarHBondContact O-N 3.47Å; K275-V278 PolarHBondContact O-N 2.76Å; L276-V278 PolarHBondContact O-N 3.33Å; V278-V280 VanDerWaalsContact C-N 3.33Å; V278-V280 PolarHBondContact O-N 3.47Å; V278-G282 CarbonylContact O-C 3.43Å; V278-G282 WeakPolarHBondContact O-CA 3.47Å; V278-G282 PolarHBondContact O-N 3.01Å; V278-K283 HydrophobicContact CG1-CB 4.2Å; V278-V286 HydrophobicContact CG2-CB 4.36Å; V278-V286 HydrophobicContact CG2-CG1 4.45Å; V278-V286 HydrophobicContact CG2-CG2 4.13Å; V278-F311 HydrophobicContact CB-CZ 3.95Å; V278-F311 HydrophobicContact CG1-CE1 4.43Å; V278-F311 HydrophobicContact CG1-CZ 4.26Å; V278-F311 HydrophobicContact CG2-CE2 4.02Å; V278-F311 HydrophobicContact CG2-CZ 3.72Å; V278-L320 HydrophobicContact CG2-CD2 4.25Å
279D98.6Very high98.7Very high102 Ų10243.7 Ų43.755%0.54523%0.234SC..Hα-helixtrans-67.1-32.5178.2-71.4-20.2000112.2K275 L276 L277K275-D279 IonicContact NZ-OD1 2.7Å; K275-D279 IonicContact NZ-OD2 3.64Å; K275-D279 PolarHBondContact NZ-OD2 3.12Å; K275-D279 VanDerWaalsContact O-CG 3.31Å; K275-D279 PolarHBondContact O-N 2.88Å; L276-D279 PolarHBondContact O-N 3.32Å; L277-D279 VanDerWaalsContact C-N 3.34Å; L277-D279 PolarHBondContact O-N 3.06Å
280V98.8Very high98.7Very high29 Ų2938.7 Ų38.718%0.17621%0.21CC..Hα-helixtrans-92.4-50.7-177.2174.30000112.9P230 V233 L259 L276 L277 V278P230-V280 HydrophobicContact CB-CB 4.26Å; P230-V280 HydrophobicContact CB-CG1 4.23Å; V233-V280 HydrophobicContact CG1-CG1 3.97Å; L259-V280 HydrophobicContact CD1-CG1 4.21Å; L259-V280 HydrophobicContact CD2-CG1 3.96Å; L276-V280 HydrophobicContact CD1-CG2 3.79Å; L276-V280 HydrophobicContact CG-CG2 4.36Å; L276-V280 WeakPolarHBondContact O-CB 3.48Å; L276-V280 WeakPolarHBondContact O-CG2 3.48Å; L276-V280 PolarHBondContact O-N 3.07Å; L277-V280 PolarHBondContact O-N 3.29Å; V278-V280 VanDerWaalsContact C-N 3.33Å; V278-V280 PolarHBondContact O-N 3.47Å
281I98.7Very high98.7Very high3 Ų336.1 Ų36.12%0.01520%0.196CC..Hα-helixtrans-80.9-31.2-176.6-60.5-58.2000111.1F229 P230 F262 T264 L277 K285 V286F229-I281 HydrophobicContact CD1-CD1 4.37Å; P230-I281 HydrophobicContact CG-CD1 4.46Å; P230-I281 HydrophobicContact CG-CG1 4.3Å; F262-I281 HydrophobicContact CE2-CD1 3.79Å; F262-I281 HydrophobicContact CZ-CD1 4.04Å; T264-I281 HydrophobicContact CG2-CD1 4.24Å; T264-I281 HydrophobicContact CG2-CG1 4.12Å; T264-I281 HydrophobicContact CG2-CG2 4.24Å; L277-I281 HydrophobicContact CD1-CB 4.36Å; L277-I281 HydrophobicContact CD1-CG1 3.55Å; L277-I281 HydrophobicContact CG-CG1 4.42Å; L277-I281 VanDerWaalsContact O-CB 3.31Å; L277-I281 WeakPolarHBondContact O-CB 3.46Å; L277-I281 PolarHBondContact O-N 2.96Å; I281-K285 HydrophobicContact CG2-CB 3.68Å; I281-V286 HydrophobicContact CB-CG2 4.13Å; I281-V286 HydrophobicContact CG2-CG2 4.1Å
282G98.3Very high98.7Very high26 Ų2634.6 Ų34.627%0.26818%0.183SC..  trans101142.5178.400000113.2V278 D284 K285V278-G282 CarbonylContact O-C 3.43Å; V278-G282 WeakPolarHBondContact O-CA 3.47Å; V278-G282 PolarHBondContact O-N 3.01Å; G282-D284 PolarHBondContact O-N 3.46Å; G282-K285 PolarHBondContact O-N 2.89Å
283K98.1Very high98.7Very high112 Ų11229.1 Ų29.149%0.48716%0.156SC..THydrogen-bonded Turntrans-55.5-22.3-178.562.9-179.7178.8-174.70116.4V278 K285 L315 K319 N324V278-K283 HydrophobicContact CG1-CB 4.2Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-L315 HydrophobicContact CB-CD1 3.47Å; K283-L315 VanDerWaalsContact CB-CD1 3.47Å; K283-L315 HydrophobicContact CD-CD1 4.49Å; K283-K319 HydrophobicContact CG-CD 4.47Å; K283-N324 PolarHBondContact O-ND2 2.68Å
284D98.5Very high98.6Very high59 Ų5927.4 Ų27.432%0.31614%0.142SC..THydrogen-bonded Turntrans-94.56.9-179.3-69.2-59.5000112.7Y263 G282 K319Y263-D284 WeakPolarHBondContact CE1-O 3.33Å; G282-D284 PolarHBondContact O-N 3.46Å; D284-K319 WeakPolarHBondContact OD1-CD 3.35Å; D284-K319 WeakPolarHBondContact OD1-CE 3.45Å; D284-K319 IonicContact OD1-NZ 2.75Å; D284-K319 PolarHBondContact OD1-NZ 3.11Å; D284-K319 IonicContact OD2-NZ 3.71Å; D284-K319 PolarHBondContact OD2-NZ 3.02Å; D284-K319 VanDerWaalsContact OD2-NZ 3.11Å
285K98.8Very high98.5Very high31 Ų3132.2 Ų32.214%0.13517%0.174CC..THydrogen-bonded Turntrans-135.71.8-169.7-64.4-71.1164.6-75.50113.7G260 F262 Y263 T264 I281 G282 K283 E327G260-K285 WeakPolarHBondContact O-CD 3.49Å; G260-K285 WeakPolarHBondContact O-CE 3.4Å; F262-K285 WeakPolarHBondContact O-CB 3.48Å; F262-K285 WeakPolarHBondContact O-CD 3.35Å; Y263-K285 CarbonylContact C-O 3.52Å; Y263-K285 WeakPolarHBondContact CA-O 3.35Å; Y263-K285 WeakPolarHBondContact CB-O 3.46Å; Y263-K285 HydrophobicContact CD1-CB 4.38Å; Y263-K285 HydrophobicContact CD1-CD 3.87Å; Y263-K285 HydrophobicContact CD2-CD 3.91Å; Y263-K285 HydrophobicContact CE1-CD 3.7Å; Y263-K285 HydrophobicContact CE2-CD 3.73Å; Y263-K285 HydrophobicContact CG-CD 3.95Å; Y263-K285 PolarHBondContact OH-NZ 2.94Å; T264-K285 PolarHBondContact N-O 3.29Å; I281-K285 HydrophobicContact CG2-CB 3.68Å; G282-K285 PolarHBondContact O-N 2.89Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K285-E327 IonicContact NZ-OE1 3.56Å
286V98.9Very high98.4Very high0 Ų031.5 Ų31.50%017%0.172CC..EExtended strand (participates in β ladder)trans-106.6130.5173.7-179.30000109.8T264 L274 L277 V278 I281 N324T264-V286 WeakPolarHBondContact O-CA 3.22Å; L274-V286 HydrophobicContact CD1-CG1 4.36Å; L277-V286 HydrophobicContact CD2-CG1 3.79Å; L277-V286 HydrophobicContact CD2-CG2 4.2Å; L277-V286 HydrophobicContact CG-CG1 4.39Å; L277-V286 HydrophobicContact CG-CG2 3.9Å; V278-V286 HydrophobicContact CG2-CB 4.36Å; V278-V286 HydrophobicContact CG2-CG1 4.45Å; V278-V286 HydrophobicContact CG2-CG2 4.13Å; I281-V286 HydrophobicContact CB-CG2 4.13Å; I281-V286 HydrophobicContact CG2-CG2 4.1Å; V286-N324 PolarHBondContact O-ND2 3.25Å
287M98.9Very high98.3Very high0 Ų029 Ų290%016%0.161CC..EExtended strand (participates in β ladder)trans-127.6144.9-173.9-59.1-179-59.700111.4I5 C221 Y263 T264 D265 S266 G289 N324 A325 F328I5-M287 HydrophobicContact CG1-CE 4.08Å; I5-M287 HydrophobicContact CG2-CB 4.26Å; I5-M287 HydrophobicContact CG2-CE 4.31Å; C221-M287 HydrophobicContact CB-CE 3.69Å; C221-M287 WeakPolarHBondContact SG-CE 3.49Å; Y263-M287 HydrophobicContact CD1-CE 4.15Å; Y263-M287 HydrophobicContact CD1-CG 4.19Å; Y263-M287 HydrophobicContact CD1-SD 3.74Å; Y263-M287 HydrophobicContact CE1-SD 4.42Å; Y263-M287 HydrophobicContact CG-CE 4.19Å; Y263-M287 HydrophobicContact CG-SD 4.35Å; T264-M287 PolarHBondContact O-N 3.44Å; D265-M287 CarbonylContact C-O 3.53Å; D265-M287 WeakPolarHBondContact CA-O 3.23Å; S266-M287 WeakPolarHBondContact CB-O 3.37Å; S266-M287 PolarHBondContact N-O 2.93Å; S266-M287 PolarHBondContact OG-O 3.46Å; M287-G289 PolarHBondContact O-N 2.74Å; M287-N324 HydrophobicContact CG-CB 3.59Å; M287-N324 VanDerWaalsContact SD-C 3.6Å; M287-N324 HydrophobicContact SD-CB 4.4Å; M287-A325 HydrophobicContact CG-CB 4.48Å; M287-A325 WeakPolarHBondContact SD-CA 3.47Å; M287-A325 HydrophobicContact SD-CB 4.14Å; M287-F328 HydrophobicContact CE-CB 4.17Å; M287-F328 HydrophobicContact CE-CD1 3.79Å; M287-F328 HydrophobicContact CE-CD2 4.38Å; M287-F328 HydrophobicContact CE-CE1 4.26Å; M287-F328 HydrophobicContact CE-CG 3.86Å; M287-F328 HydrophobicContact SD-CB 3.47Å; M287-F328 WeakPolarHBondContact SD-CB 3.35Å; M287-F328 HydrophobicContact SD-CD1 4Å; M287-F328 HydrophobicContact SD-CG 3.83Å
288L98.9Very high98.3Very high0 Ų030 Ų300%017%0.166CC..  trans-58127.2171.2174.565.6000110.6K2 I5 S266 T290 I305 L320 L321K2-L288 HydrophobicContact CB-CD2 4.08Å; K2-L288 HydrophobicContact CD-CD2 4.49Å; I5-L288 VanDerWaalsContact CG2-O 3.3Å; I5-L288 WeakPolarHBondContact CG2-O 3.38Å; I5-L288 PolarHBondContact N-O 3.29Å; S266-L288 WeakPolarHBondContact OG-CA 3.42Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; L288-T290 HydrophobicContact CG-CG2 4.49Å; L288-I305 HydrophobicContact CB-CD1 4.09Å; L288-I305 HydrophobicContact CD1-CD1 3.89Å; L288-L320 PolarHBondContact N-O 3.06Å; L288-L321 HydrophobicContact CD2-CD2 4Å
289G98.8Very high98.3Very high0 Ų035.4 Ų35.40%019%0.193CC..  trans-147143.816900000109.2D4 M287D4-G289 WeakPolarHBondContact OD1-CA 3.45Å; M287-G289 PolarHBondContact O-N 2.74Å
290T98.8Very high98.2Very high0 Ų036.2 Ų36.20%019%0.194CC..  trans-121.9-15.8-166.568.70000115D4 H6 L288 Y292 G297 E298 P301D4-T290 HydrophobicContact CB-CG2 4.4Å; D4-T290 VanDerWaalsContact CG-OG1 3.3Å; D4-T290 PolarHBondContact OD1-N 3.05Å; D4-T290 VanDerWaalsContact OD1-N 3.11Å; D4-T290 PolarHBondContact OD1-OG1 3.23Å; D4-T290 WeakPolarHBondContact OD2-CG2 3.39Å; D4-T290 PolarHBondContact OD2-OG1 3.02Å; H6-T290 PolarHBondContact O-N 2.95Å; H6-T290 VanDerWaalsContact O-N 3.08Å; H6-T290 PolarHBondContact O-OG1 3Å; L288-T290 HydrophobicContact CD1-CG2 4.17Å; L288-T290 HydrophobicContact CG-CG2 4.49Å; T290-Y292 PolarHBondContact O-N 3.42Å; T290-Y292 WeakPolarHBondContact OG1-CB 3.24Å; T290-Y292 PolarHBondContact OG1-N 3.4Å; T290-Y292 VanDerWaalsContact OG1-N 3.12Å; T290-G297 CarbonylContact O-C 3.44Å; T290-G297 WeakPolarHBondContact O-CA 3.47Å; T290-E298 PolarHBondContact O-N 3.19Å; T290-P301 HydrophobicContact CG2-CB 3.77Å; T290-P301 HydrophobicContact CG2-CG 4Å
291D98.6Very high98.2Very high13 Ų1335.2 Ų35.27%0.0719%0.188CC..  trans56.726.9-167-169.732.4000113H6 H8 L267 F294H6-D291 IonicContact NE2-OD1 2.68Å; H6-D291 WeakPolarHBondContact O-CA 3.25Å; H6-D291 PolarHBondContact O-N 3.43Å; H8-D291 IonicContact CD2-OD1 3.23Å; H8-D291 PolarHBondContact CD2-OD1 3.09Å; H8-D291 VanDerWaalsContact CD2-OD1 3.27Å; H8-D291 IonicContact NE2-OD1 3.68Å; H8-D291 PolarHBondContact NE2-OD1 3.32Å; L267-D291 HydrophobicContact CD2-CB 3.41Å; L267-D291 VanDerWaalsContact CD2-CB 3.41Å; D291-F294 WeakPolarHBondContact O-CB 3.38Å; D291-F294 PolarHBondContact O-N 3.36Å; D291-F294 WeakPolarHBondContact OD1-CD2 3.46Å
292Y98.8Very high98.2Very high31 Ų3135.1 Ų35.112%0.12219%0.187CC..BIsolated β-bridgetrans-61.1139.1175.8176.5-85000111.3N7 H8 N52 R59 D62 T290N7-Y292 CarbonylContact C-O 3.59Å; N7-Y292 WeakPolarHBondContact CA-O 3.44Å; N7-Y292 HydrophobicContact CB-CD1 4.48Å; N7-Y292 VanDerWaalsContact CB-O 3.32Å; N7-Y292 WeakPolarHBondContact CB-O 3.27Å; H8-Y292 PolarHBondContact N-O 3.38Å; N52-Y292 HydrophobicContact CB-CE1 4.45Å; N52-Y292 WeakPolarHBondContact CB-OH 3.27Å; R59-Y292 HydrophobicContact CB-CE1 4.44Å; R59-Y292 HydrophobicContact CG-CE1 3.95Å; D62-Y292 HydrophobicContact CB-CE2 4.13Å; D62-Y292 WeakPolarHBondContact CB-OH 3.47Å; D62-Y292 PolarHBondContact OD2-OH 3.17Å; T290-Y292 PolarHBondContact O-N 3.42Å; T290-Y292 WeakPolarHBondContact OG1-CB 3.24Å; T290-Y292 PolarHBondContact OG1-N 3.4Å; T290-Y292 VanDerWaalsContact OG1-N 3.12Å
293P97.9Very high98.2Very high19 Ų1935.9 Ų35.912%0.12319%0.189CC..THydrogen-bonded Turncis-98.623.66.338.6-36.7000113.8H8 N52 C53H8-P293 VanDerWaalsContact O-CD 3.3Å; H8-P293 WeakPolarHBondContact O-CD 3.45Å; N52-P293 WeakPolarHBondContact OD1-CB 3.45Å; C53-P293 HydrophobicContact CB-CG 3.9Å
294F97.5Very high98.2Very high15 Ų1531.4 Ų31.47%0.06617%0.17CC..SBendtrans-81.1149.1-169.8-62.2-38.3000113.4H8 I49 V76 D291 L296 G297H8-F294 HydrophobicContact CB-CE2 3.98Å; H8-F294 HydrophobicContact CB-CZ 4.3Å; H8-F294 AromaticContact CD2-CD2 3.77Å; H8-F294 AromaticContact CD2-CE2 3.45Å; H8-F294 VanDerWaalsContact CD2-CE2 3.45Å; H8-F294 WeakPolarHBondContact CD2-CE2 3.33Å; H8-F294 AromaticContact CG-CE2 3.97Å; I49-F294 HydrophobicContact CG2-CE1 4.21Å; V76-F294 HydrophobicContact CB-CZ 4.41Å; V76-F294 HydrophobicContact CG1-CE2 4.11Å; V76-F294 HydrophobicContact CG1-CZ 3.77Å; V76-F294 HydrophobicContact CG2-CE2 4.38Å; V76-F294 HydrophobicContact CG2-CZ 3.71Å; D291-F294 WeakPolarHBondContact O-CB 3.38Å; D291-F294 PolarHBondContact O-N 3.36Å; D291-F294 WeakPolarHBondContact OD1-CD2 3.46Å; F294-L296 PolarHBondContact O-N 3.35Å; F294-G297 PolarHBondContact O-N 3.02Å
295P95.8Very high98.3Very high101 Ų10128.7 Ų28.766%0.65616%0.155SC*.THydrogen-bonded Turntrans-71.7-15.8-171.328.7-37.1000114G297P295-G297 VanDerWaalsContact C-N 3.28Å
296L97.4Very high98.2Very high46 Ų4631.5 Ų31.524%0.24117%0.169CC..THydrogen-bonded Turntrans-79.6-16.1173.7-169.858.1000111.8W188 W191 L192 H269 F294W188-L296 HydrophobicContact CH2-CB 3.87Å; W188-L296 HydrophobicContact CH2-CD1 4.31Å; W188-L296 HydrophobicContact CH2-CD2 4.44Å; W188-L296 HydrophobicContact CH2-CG 4.44Å; W188-L296 HydrophobicContact CZ3-CB 4.47Å; W188-L296 HydrophobicContact CZ3-CD1 4.07Å; W191-L296 HydrophobicContact CB-CD2 4.05Å; L192-L296 HydrophobicContact CD2-CD1 4.05Å; L192-L296 HydrophobicContact CD2-CD2 4.47Å; H269-L296 PolarHBondContact CE1-O 3.01Å; H269-L296 PolarHBondContact NE2-O 2.83Å; F294-L296 PolarHBondContact O-N 3.35Å
297G97.9Very high98.2Very high7 Ų734.5 Ų34.57%0.07219%0.19CC..SBendtrans-70.2178.8-178.100000115.2T290 F294 P295 L299T290-G297 CarbonylContact O-C 3.44Å; T290-G297 WeakPolarHBondContact O-CA 3.47Å; F294-G297 PolarHBondContact O-N 3.02Å; P295-G297 VanDerWaalsContact C-N 3.28Å; G297-L299 PolarHBondContact O-N 3.43Å
298E98.4Very high98.2Very high25 Ų2535 Ų3512%0.11719%0.192CC..  trans-77108.7173-170.6-175-146.400109.9L267 T290 E300 G302 S303 L304L267-E298 HydrophobicContact CD1-CB 3.89Å; T290-E298 PolarHBondContact O-N 3.19Å; E298-E300 VanDerWaalsContact C-N 3.28Å; E298-E300 PolarHBondContact O-N 3.37Å; E298-G302 PolarHBondContact OE2-N 3.43Å; E298-S303 PolarHBondContact OE1-N 3.17Å; E298-S303 PolarHBondContact OE1-OG 3.37Å; E298-L304 VanDerWaalsContact OE1-CB 3.31Å; E298-L304 WeakPolarHBondContact OE1-CB 3.33Å; E298-L304 PolarHBondContact OE1-N 2.86Å
299L97.4Very high98Very high125 Ų12542.5 Ų42.565%0.65423%0.233SC*.SBendtrans-69-24-174.4-57.3-178.6000114G297G297-L299 PolarHBondContact O-N 3.43Å
300E98.3Very high97.8Very high119 Ų11949.1 Ų49.156%0.55626%0.264SS*.SBendtrans-120.689.9174.6-63.1-168.3170.700109Y66 E298 G302 S303Y66-E300 HydrophobicContact CE1-CB 4.49Å; Y66-E300 HydrophobicContact CE1-CG 4.03Å; E298-E300 VanDerWaalsContact C-N 3.28Å; E298-E300 PolarHBondContact O-N 3.37Å; E300-G302 PolarHBondContact O-N 2.82Å; E300-G302 VanDerWaalsContact O-N 3.16Å; E300-S303 WeakPolarHBondContact O-CB 3.38Å; E300-S303 PolarHBondContact O-N 2.99Å; E300-S303 PolarHBondContact O-OG 3.15Å
301P98.4Very high97.8Very high8 Ų849.8 Ų49.85%0.05227%0.267CS..THydrogen-bonded Turntrans-49.7116.4-172.8-34.737.4000115.3K2 Y66 V68 T290 S303K2-P301 PolarHBondContact NZ-O 2.8Å; Y66-P301 HydrophobicContact CG-CG 4.41Å; V68-P301 HydrophobicContact CG2-CB 3.46Å; V68-P301 VanDerWaalsContact CG2-CB 3.46Å; V68-P301 HydrophobicContact CG2-CG 3.87Å; T290-P301 HydrophobicContact CG2-CB 3.77Å; T290-P301 HydrophobicContact CG2-CG 4Å; P301-S303 VanDerWaalsContact C-N 3.32Å
302G98.3Very high97.6Very high0 Ų054 Ų540%029%0.289CS..THydrogen-bonded Turntrans82.31.4178.600000115E298 E300 L304 I305 E306E298-G302 PolarHBondContact OE2-N 3.43Å; E300-G302 PolarHBondContact O-N 2.82Å; E300-G302 VanDerWaalsContact O-N 3.16Å; G302-L304 VanDerWaalsContact C-N 3.3Å; G302-L304 PolarHBondContact O-N 3.09Å; G302-I305 PolarHBondContact O-N 3.18Å; G302-E306 WeakPolarHBondContact O-CB 3.49Å; G302-E306 VanDerWaalsContact O-CG 3.31Å; G302-E306 WeakPolarHBondContact O-CG 3.45Å; G302-E306 PolarHBondContact O-N 3.33Å
303S98.4Very high97.3Very high42 Ų4254.8 Ų54.829%0.29431%0.306SS..Hα-helixtrans-58.3-41179.560.20000112.1E298 E300 P301 I305 E306 S307E298-S303 PolarHBondContact OE1-N 3.17Å; E298-S303 PolarHBondContact OE1-OG 3.37Å; E300-S303 WeakPolarHBondContact O-CB 3.38Å; E300-S303 PolarHBondContact O-N 2.99Å; E300-S303 PolarHBondContact O-OG 3.15Å; P301-S303 VanDerWaalsContact C-N 3.32Å; S303-I305 PolarHBondContact O-N 3.36Å; S303-E306 PolarHBondContact O-N 3.05Å; S303-S307 WeakPolarHBondContact O-CB 3.49Å; S303-S307 PolarHBondContact O-N 2.85Å; S303-S307 PolarHBondContact O-OG 3.01Å
304L98.7Very high97.1Very high19 Ų1960.4 Ų60.410%0.09933%0.329CS..Hα-helixtrans-59.4-50.5176.8178.561.8000110.6V268 P271 L274 E298 G302 E306 S307 M308V268-L304 HydrophobicContact CG2-CD2 4.27Å; P271-L304 HydrophobicContact CB-CD1 4.44Å; P271-L304 HydrophobicContact CG-CD1 3.84Å; L274-L304 HydrophobicContact CB-CD2 4.16Å; L274-L304 HydrophobicContact CD2-CD2 4.02Å; L274-L304 HydrophobicContact CD2-CG 3.77Å; E298-L304 VanDerWaalsContact OE1-CB 3.31Å; E298-L304 WeakPolarHBondContact OE1-CB 3.33Å; E298-L304 PolarHBondContact OE1-N 2.86Å; G302-L304 VanDerWaalsContact C-N 3.3Å; G302-L304 PolarHBondContact O-N 3.09Å; L304-E306 VanDerWaalsContact C-N 3.31Å; L304-E306 PolarHBondContact O-N 3.36Å; L304-S307 PolarHBondContact O-N 3.16Å; L304-S307 PolarHBondContact O-OG 3.39Å; L304-M308 WeakPolarHBondContact O-CG 3.43Å; L304-M308 PolarHBondContact O-N 3.12Å
305I98.7Very high97Very high1 Ų160.7 Ų60.71%0.00533%0.331CS..Hα-helixtrans-60.7-42.2179.4-61.3167000110.8L274 L288 G302 S303 S307 M308 K316 L320 L321L274-I305 HydrophobicContact CD2-CG1 3.95Å; L288-I305 HydrophobicContact CB-CD1 4.09Å; L288-I305 HydrophobicContact CD1-CD1 3.89Å; G302-I305 PolarHBondContact O-N 3.18Å; S303-I305 PolarHBondContact O-N 3.36Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 2.85Å; I305-M308 PolarHBondContact O-N 3.22Å; I305-K316 HydrophobicContact CG2-CB 4.23Å; I305-K316 HydrophobicContact CG2-CG 4.18Å; I305-K316 WeakPolarHBondContact O-CD 3.29Å; I305-K316 WeakPolarHBondContact O-CE 3.42Å; I305-L320 HydrophobicContact CD1-CB 4.21Å; I305-L320 HydrophobicContact CG2-CB 3.94Å; I305-L320 HydrophobicContact CG2-CD2 3.98Å; I305-L321 HydrophobicContact CB-CD2 4.25Å; I305-L321 HydrophobicContact CD1-CD2 3.97Å; I305-L321 HydrophobicContact CG2-CD2 4.18Å; I305-L321 HydrophobicContact CG2-CG 4.12Å
306E98.4Very high97Very high90 Ų9057.2 Ų57.242%0.42131%0.306SS..Hα-helixtrans-65.7-35.5-179.6-73.4172.7155.800112K2 G302 S303 L304 M308 K316 L321K2-E306 WeakPolarHBondContact CE-OE1 3.41Å; K2-E306 IonicContact NZ-OE1 2.74Å; K2-E306 PolarHBondContact NZ-OE1 2.81Å; K2-E306 IonicContact NZ-OE2 3.75Å; K2-E306 PolarHBondContact NZ-OE2 3.32Å; G302-E306 WeakPolarHBondContact O-CB 3.49Å; G302-E306 VanDerWaalsContact O-CG 3.31Å; G302-E306 WeakPolarHBondContact O-CG 3.45Å; G302-E306 PolarHBondContact O-N 3.33Å; S303-E306 PolarHBondContact O-N 3.05Å; L304-E306 VanDerWaalsContact C-N 3.31Å; L304-E306 PolarHBondContact O-N 3.36Å; E306-M308 VanDerWaalsContact C-N 3.33Å; E306-M308 PolarHBondContact O-N 3.36Å; E306-K316 PolarHBondContact O-NZ 3.4Å; E306-L321 HydrophobicContact CG-CD1 4.2Å
307S97.9Very high96.7Very high64 Ų6461.8 Ų61.845%0.44832%0.323SS..Hα-helixtrans-75.3-10.2177.873.30000115.7S303 L304 I305 D309S303-S307 WeakPolarHBondContact O-CB 3.49Å; S303-S307 PolarHBondContact O-N 2.85Å; S303-S307 PolarHBondContact O-OG 3.01Å; L304-S307 PolarHBondContact O-N 3.16Å; L304-S307 PolarHBondContact O-OG 3.39Å; I305-S307 VanDerWaalsContact C-N 3.32Å; I305-S307 PolarHBondContact O-N 2.85Å; S307-D309 PolarHBondContact O-N 2.57Å
308M98.2Very high96.5Very high9 Ų965.5 Ų65.54%0.04434%0.342CS..  trans-71.891-177.1-68.4-60.3-70.500112.1P271 L274 K275 L304 I305 E306 E310 F311 K316P271-M308 HydrophobicContact CB-CE 4.45Å; P271-M308 HydrophobicContact CB-SD 3.66Å; P271-M308 VanDerWaalsContact O-CE 3.28Å; P271-M308 WeakPolarHBondContact O-CE 3.28Å; L274-M308 HydrophobicContact CD2-CG 3.7Å; L274-M308 HydrophobicContact CD2-SD 4.15Å; K275-M308 HydrophobicContact CB-CE 3.83Å; L304-M308 WeakPolarHBondContact O-CG 3.43Å; L304-M308 PolarHBondContact O-N 3.12Å; I305-M308 PolarHBondContact O-N 3.22Å; E306-M308 VanDerWaalsContact C-N 3.33Å; E306-M308 PolarHBondContact O-N 3.36Å; M308-E310 PolarHBondContact O-N 2.93Å; M308-E310 VanDerWaalsContact O-N 3.16Å; M308-F311 HydrophobicContact CB-CB 3.97Å; M308-F311 HydrophobicContact CB-CD1 4.46Å; M308-F311 HydrophobicContact CB-CD2 3.41Å; M308-F311 VanDerWaalsContact CB-CD2 3.41Å; M308-F311 HydrophobicContact CB-CE2 3.95Å; M308-F311 HydrophobicContact CB-CG 3.7Å; M308-F311 HydrophobicContact CE-CD2 4.48Å; M308-F311 HydrophobicContact CE-CE1 4.11Å; M308-F311 HydrophobicContact CE-CE2 3.95Å; M308-F311 HydrophobicContact CE-CZ 3.74Å; M308-F311 HydrophobicContact CG-CD2 3.65Å; M308-F311 HydrophobicContact CG-CE2 3.7Å; M308-F311 HydrophobicContact CG-CG 4.38Å; M308-F311 HydrophobicContact CG-CZ 4.45Å; M308-F311 PolarHBondContact O-N 3.04Å; M308-K316 WeakPolarHBondContact O-CE 3.43Å; M308-K316 PolarHBondContact O-NZ 3.16Å
309D95.6Very high96.4Very high158 Ų15866.1 Ų66.185%0.84534%0.344SS*.THydrogen-bonded Turntrans-58.4-30.4-177.7-70.8-30.3000113.8S307 F311S307-D309 PolarHBondContact O-N 2.57Å; D309-F311 PolarHBondContact O-N 3.33Å
310E95.3Very high96.5Very high139 Ų13960.1 Ų60.165%0.6531%0.313SS*.THydrogen-bonded Turntrans-70.5-16.3177.1-62.6-177.6-110.300113.6K275 M308K275-E310 WeakPolarHBondContact CD-OE1 3Å; K275-E310 WeakPolarHBondContact CD-OE2 3.38Å; K275-E310 WeakPolarHBondContact CE-OE2 3.4Å; K275-E310 IonicContact NZ-OE2 3.39Å; M308-E310 PolarHBondContact O-N 2.93Å; M308-E310 VanDerWaalsContact O-N 3.16Å
311F97.4Very high96.5Very high15 Ų1554.7 Ų54.77%0.06629%0.288CS..SBendtrans-94.4124.2-179.9-65.7-7.9000110.6L274 V278 M308 D309 L315 K316 L320L274-F311 HydrophobicContact CD2-CE2 4.11Å; L274-F311 HydrophobicContact CG-CE2 4.04Å; L274-F311 HydrophobicContact CG-CZ 4.47Å; V278-F311 HydrophobicContact CB-CZ 3.95Å; V278-F311 HydrophobicContact CG1-CE1 4.43Å; V278-F311 HydrophobicContact CG1-CZ 4.26Å; V278-F311 HydrophobicContact CG2-CE2 4.02Å; V278-F311 HydrophobicContact CG2-CZ 3.72Å; M308-F311 HydrophobicContact CB-CB 3.97Å; M308-F311 HydrophobicContact CB-CD1 4.46Å; M308-F311 HydrophobicContact CB-CD2 3.41Å; M308-F311 VanDerWaalsContact CB-CD2 3.41Å; M308-F311 HydrophobicContact CB-CE2 3.95Å; M308-F311 HydrophobicContact CB-CG 3.7Å; M308-F311 HydrophobicContact CE-CD2 4.48Å; M308-F311 HydrophobicContact CE-CE1 4.11Å; M308-F311 HydrophobicContact CE-CE2 3.95Å; M308-F311 HydrophobicContact CE-CZ 3.74Å; M308-F311 HydrophobicContact CG-CD2 3.65Å; M308-F311 HydrophobicContact CG-CE2 3.7Å; M308-F311 HydrophobicContact CG-CG 4.38Å; M308-F311 HydrophobicContact CG-CZ 4.45Å; M308-F311 PolarHBondContact O-N 3.04Å; D309-F311 PolarHBondContact O-N 3.33Å; F311-L315 HydrophobicContact CB-CD2 3.79Å; F311-L315 HydrophobicContact CB-CG 4.29Å; F311-L315 HydrophobicContact CD1-CD2 3.61Å; F311-L315 HydrophobicContact CD2-CD2 4.13Å; F311-L315 HydrophobicContact CE1-CD2 4.21Å; F311-L315 HydrophobicContact CG-CD2 3.57Å; F311-L315 HydrophobicContact CG-CG 4.31Å; F311-K316 HydrophobicContact CB-CD 4.4Å; F311-K316 HydrophobicContact CB-CG 3.87Å; F311-K316 WeakPolarHBondContact O-CE 3.29Å; F311-L320 HydrophobicContact CD2-CD2 4Å; F311-L320 HydrophobicContact CE2-CD2 3.9Å
312D95.9Very high96.5Very high101 Ų10154.3 Ų54.354%0.5429%0.285SS..  trans-65.5162.3174.973.939.6000112K314 L315 K316D312-K314 PolarHBondContact O-N 3.06Å; D312-K314 WeakPolarHBondContact OD1-CA 3.49Å; D312-K314 WeakPolarHBondContact OD1-CB 3.21Å; D312-K314 PolarHBondContact OD1-N 3.35Å; D312-L315 PolarHBondContact O-N 2.85Å; D312-L315 WeakPolarHBondContact OD1-CB 3.35Å; D312-L315 PolarHBondContact OD1-N 3.25Å; D312-K316 PolarHBondContact O-N 3.08Å; D312-K316 VanDerWaalsContact O-N 3.08Å
313G92.3Very high96.5Very high47 Ų4755.2 Ų55.249%0.48529%0.294SS..Hα-helixtrans-61.1-28.2-177.500000113.9K317G313-K317 VanDerWaalsContact O-CB 3.29Å; G313-K317 WeakPolarHBondContact O-CB 3.35Å; G313-K317 WeakPolarHBondContact O-CG 3.2Å; G313-K317 PolarHBondContact O-N 2.97Å
314K92.6Very high96.5Very high137 Ų13753.4 Ų53.460%0.59628%0.281SS*.Hα-helixtrans-73.9-44.2178.8178.9173.4-174177.20110.5D312 K316 D318 K319D312-K314 PolarHBondContact O-N 3.06Å; D312-K314 WeakPolarHBondContact OD1-CA 3.49Å; D312-K314 WeakPolarHBondContact OD1-CB 3.21Å; D312-K314 PolarHBondContact OD1-N 3.35Å; K314-K316 PolarHBondContact O-N 3.35Å; K314-D318 HydrophobicContact CG-CB 4.14Å; K314-D318 WeakPolarHBondContact O-CA 3.47Å; K314-D318 VanDerWaalsContact O-CB 3.24Å; K314-D318 WeakPolarHBondContact O-CB 3.19Å; K314-D318 PolarHBondContact O-N 2.7Å; K314-K319 PolarHBondContact O-N 2.76Å
315L96.1Very high96.5Very high21 Ų2152.5 Ų52.511%0.1128%0.276CS..Iπ-helixtrans-58.4-48.5174.6178.958.9000110.7K283 F311 D312 K319 L320K283-L315 HydrophobicContact CB-CD1 3.47Å; K283-L315 VanDerWaalsContact CB-CD1 3.47Å; K283-L315 HydrophobicContact CD-CD1 4.49Å; F311-L315 HydrophobicContact CB-CD2 3.79Å; F311-L315 HydrophobicContact CB-CG 4.29Å; F311-L315 HydrophobicContact CD1-CD2 3.61Å; F311-L315 HydrophobicContact CD2-CD2 4.13Å; F311-L315 HydrophobicContact CE1-CD2 4.21Å; F311-L315 HydrophobicContact CG-CD2 3.57Å; F311-L315 HydrophobicContact CG-CG 4.31Å; D312-L315 PolarHBondContact O-N 2.85Å; D312-L315 WeakPolarHBondContact OD1-CB 3.35Å; D312-L315 PolarHBondContact OD1-N 3.25Å; L315-K319 HydrophobicContact CD1-CB 4.43Å; L315-K319 HydrophobicContact CD1-CD 4.2Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 2.88Å; L315-L320 HydrophobicContact CD1-CD1 3.48Å; L315-L320 VanDerWaalsContact CD1-CD1 3.48Å; L315-L320 HydrophobicContact CG-CD1 4.1Å; L315-L320 HydrophobicContact CG-CD2 4.43Å; L315-L320 PolarHBondContact O-N 3.45Å
316K95.5Very high96.5Very high29 Ų2953.1 Ų53.113%0.12628%0.28CS..Iπ-helixtrans-62-62.6177.6-65.8177.4177.3178.60111.6I305 E306 M308 F311 D312 K314 L321I305-K316 HydrophobicContact CG2-CB 4.23Å; I305-K316 HydrophobicContact CG2-CG 4.18Å; I305-K316 WeakPolarHBondContact O-CD 3.29Å; I305-K316 WeakPolarHBondContact O-CE 3.42Å; E306-K316 PolarHBondContact O-NZ 3.4Å; M308-K316 WeakPolarHBondContact O-CE 3.43Å; M308-K316 PolarHBondContact O-NZ 3.16Å; F311-K316 HydrophobicContact CB-CD 4.4Å; F311-K316 HydrophobicContact CB-CG 3.87Å; F311-K316 WeakPolarHBondContact O-CE 3.29Å; D312-K316 PolarHBondContact O-N 3.08Å; D312-K316 VanDerWaalsContact O-N 3.08Å; K314-K316 PolarHBondContact O-N 3.35Å; K316-L321 VanDerWaalsContact O-CB 3.3Å; K316-L321 WeakPolarHBondContact O-CB 3.39Å; K316-L321 VanDerWaalsContact O-CG 3.23Å; K316-L321 WeakPolarHBondContact O-CG 3.48Å; K316-L321 PolarHBondContact O-N 3.22Å
317K91.5Very high96.5Very high141 Ų14153.6 Ų53.661%0.61328%0.282SS*.Iπ-helixtrans-81.8-38-166.5-64.2-178.3177.7-1800114.1G313 L321G313-K317 VanDerWaalsContact O-CB 3.29Å; G313-K317 WeakPolarHBondContact O-CB 3.35Å; G313-K317 WeakPolarHBondContact O-CG 3.2Å; G313-K317 PolarHBondContact O-N 2.97Å; K317-L321 HydrophobicContact CG-CD1 4.49Å
318D92.3Very high96.6Very high86 Ų8650.6 Ų50.646%0.4626%0.261SS..Iπ-helixtrans-92.5-20.5-172.6-59.2-17.6000112.1K314 G323K314-D318 HydrophobicContact CG-CB 4.14Å; K314-D318 WeakPolarHBondContact O-CA 3.47Å; K314-D318 VanDerWaalsContact O-CB 3.24Å; K314-D318 WeakPolarHBondContact O-CB 3.19Å; K314-D318 PolarHBondContact O-N 2.7Å; D318-G323 WeakPolarHBondContact O-CA 3.47Å; D318-G323 PolarHBondContact O-N 3.48Å
319K97.8Very high96.6Very high37 Ų3750.5 Ų50.516%0.16126%0.261CS..Iπ-helixtrans-112.4-76.2179.5-62.2-168.7177.2-168.70113K283 D284 K314 L315 L321 A322 G323 N324K283-K319 HydrophobicContact CG-CD 4.47Å; D284-K319 WeakPolarHBondContact OD1-CD 3.35Å; D284-K319 WeakPolarHBondContact OD1-CE 3.45Å; D284-K319 IonicContact OD1-NZ 2.75Å; D284-K319 PolarHBondContact OD1-NZ 3.11Å; D284-K319 IonicContact OD2-NZ 3.71Å; D284-K319 PolarHBondContact OD2-NZ 3.02Å; D284-K319 VanDerWaalsContact OD2-NZ 3.11Å; K314-K319 PolarHBondContact O-N 2.76Å; L315-K319 HydrophobicContact CD1-CB 4.43Å; L315-K319 HydrophobicContact CD1-CD 4.2Å; L315-K319 WeakPolarHBondContact O-CB 3.5Å; L315-K319 PolarHBondContact O-N 2.88Å; K319-L321 PolarHBondContact O-N 2.9Å; K319-A322 CarbonylContact O-C 3.53Å; K319-A322 PolarHBondContact O-N 3.28Å; K319-G323 PolarHBondContact O-N 3.38Å; K319-N324 PolarHBondContact O-N 3.09Å
320L98.6Very high96.8Very high0 Ų045.7 Ų45.70%025%0.248CC..Iπ-helixtrans-61.8-46.1-167.8-87.152.9000112.1V278 L288 I305 F311 L315 A322V278-L320 HydrophobicContact CG2-CD2 4.25Å; L288-L320 PolarHBondContact N-O 3.06Å; I305-L320 HydrophobicContact CD1-CB 4.21Å; I305-L320 HydrophobicContact CG2-CB 3.94Å; I305-L320 HydrophobicContact CG2-CD2 3.98Å; F311-L320 HydrophobicContact CD2-CD2 4Å; F311-L320 HydrophobicContact CE2-CD2 3.9Å; L315-L320 HydrophobicContact CD1-CD1 3.48Å; L315-L320 VanDerWaalsContact CD1-CD1 3.48Å; L315-L320 HydrophobicContact CG-CD1 4.1Å; L315-L320 HydrophobicContact CG-CD2 4.43Å; L315-L320 PolarHBondContact O-N 3.45Å; L320-A322 PolarHBondContact O-N 3.16Å
321L98.7Very high96.9Very high5 Ų540.5 Ų40.53%0.02623%0.225CC..THydrogen-bonded Turntrans-73.1-20.9-178.6-69.6174.7000114K2 V3 L288 I305 E306 K316 K317 K319K2-L321 CarbonylContact C-O 3.38Å; K2-L321 VanDerWaalsContact CA-O 3.27Å; K2-L321 WeakPolarHBondContact CA-O 3.48Å; K2-L321 HydrophobicContact CD-CD2 4.28Å; K2-L321 HydrophobicContact CG-CB 4.37Å; K2-L321 HydrophobicContact CG-CD1 4.44Å; K2-L321 HydrophobicContact CG-CD2 4.14Å; V3-L321 PolarHBondContact N-O 3.43Å; L288-L321 HydrophobicContact CD2-CD2 4Å; I305-L321 HydrophobicContact CB-CD2 4.25Å; I305-L321 HydrophobicContact CD1-CD2 3.97Å; I305-L321 HydrophobicContact CG2-CD2 4.18Å; I305-L321 HydrophobicContact CG2-CG 4.12Å; E306-L321 HydrophobicContact CG-CD1 4.2Å; K316-L321 VanDerWaalsContact O-CB 3.3Å; K316-L321 WeakPolarHBondContact O-CB 3.39Å; K316-L321 VanDerWaalsContact O-CG 3.23Å; K316-L321 WeakPolarHBondContact O-CG 3.48Å; K316-L321 PolarHBondContact O-N 3.22Å; K317-L321 HydrophobicContact CG-CD1 4.49Å; K319-L321 PolarHBondContact O-N 2.9Å
322A98.1Very high96.9Very high0 Ų046.8 Ų46.80%025%0.252CS..THydrogen-bonded Turntrans-159.1-49.8-174.700000116M1 V3 K319 L320 N324 A325 L326M1-A322 HydrophobicContact CB-CB 4.35Å; M1-A322 HydrophobicContact CG-CB 4.15Å; M1-A322 HydrophobicContact SD-CB 4.26Å; V3-A322 HydrophobicContact CG2-CB 3.98Å; K319-A322 CarbonylContact O-C 3.53Å; K319-A322 PolarHBondContact O-N 3.28Å; L320-A322 PolarHBondContact O-N 3.16Å; A322-N324 PolarHBondContact O-N 3.47Å; A322-A325 WeakPolarHBondContact O-CB 3.13Å; A322-A325 PolarHBondContact O-N 3.38Å; A322-A325 VanDerWaalsContact O-N 3.15Å; A322-L326 WeakPolarHBondContact O-CG 3.41Å; A322-L326 PolarHBondContact O-N 2.98Å
323G98.4Very high96.9Very high19 Ų1946.5 Ų46.520%0.19624%0.243CC..Hα-helixtrans-63.5-39.5-167.400000113.7D318 K319 A325 L326 E327D318-G323 WeakPolarHBondContact O-CA 3.47Å; D318-G323 PolarHBondContact O-N 3.48Å; K319-G323 PolarHBondContact O-N 3.38Å; G323-A325 VanDerWaalsContact C-N 3.31Å; G323-A325 PolarHBondContact O-N 2.93Å; G323-L326 PolarHBondContact O-N 2.88Å; G323-E327 PolarHBondContact O-N 3.29Å
324N98.8Very high97.1Very high3 Ų350.9 Ų50.92%0.01625%0.251CS..Hα-helixtrans-64.6-38.9177.5-67.1-6.2000111K283 V286 M287 K319 A322 E327 F328K283-N324 PolarHBondContact O-ND2 2.68Å; V286-N324 PolarHBondContact O-ND2 3.25Å; M287-N324 HydrophobicContact CG-CB 3.59Å; M287-N324 VanDerWaalsContact SD-C 3.6Å; M287-N324 HydrophobicContact SD-CB 4.4Å; K319-N324 PolarHBondContact O-N 3.09Å; A322-N324 PolarHBondContact O-N 3.47Å; N324-E327 PolarHBondContact O-N 3.37Å; N324-F328 VanDerWaalsContact O-CB 3.28Å; N324-F328 WeakPolarHBondContact O-CB 3.41Å; N324-F328 PolarHBondContact O-N 2.95Å
325A98.9Very high97.3Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-65.7-40.8175.500000112.4V3 M287 A322 G323 F328 L329V3-A325 HydrophobicContact CB-CB 3.88Å; V3-A325 HydrophobicContact CG1-CB 3.64Å; M287-A325 HydrophobicContact CG-CB 4.48Å; M287-A325 WeakPolarHBondContact SD-CA 3.47Å; M287-A325 HydrophobicContact SD-CB 4.14Å; A322-A325 WeakPolarHBondContact O-CB 3.13Å; A322-A325 PolarHBondContact O-N 3.38Å; A322-A325 VanDerWaalsContact O-N 3.15Å; G323-A325 VanDerWaalsContact C-N 3.31Å; G323-A325 PolarHBondContact O-N 2.93Å; A325-F328 PolarHBondContact O-N 3.2Å; A325-L329 WeakPolarHBondContact O-CB 3.38Å; A325-L329 VanDerWaalsContact O-CG 3.25Å; A325-L329 WeakPolarHBondContact O-CG 3.34Å; A325-L329 PolarHBondContact O-N 2.88Å
326L98.8Very high97.3Very high14 Ų1448.9 Ų48.97%0.07324%0.243CC..Hα-helixtrans-63-43.9174.8-69.8173.4000111.8M1 A322 G323 L329 G330 L331 R333 F336M1-L326 HydrophobicContact CE-CD1 4.33Å; M1-L326 HydrophobicContact CE-CD2 4.19Å; M1-L326 HydrophobicContact SD-CD1 4.12Å; A322-L326 WeakPolarHBondContact O-CG 3.41Å; A322-L326 PolarHBondContact O-N 2.98Å; G323-L326 PolarHBondContact O-N 2.88Å; L326-L329 PolarHBondContact O-N 3.43Å; L326-G330 PolarHBondContact O-N 2.95Å; L326-L331 HydrophobicContact CD2-CB 3.99Å; L326-L331 PolarHBondContact O-N 3.02Å; L326-R333 HydrophobicContact CD1-CB 4.07Å; L326-F336 HydrophobicContact CD2-CD2 4.12Å; L326-F336 HydrophobicContact CD2-CE2 3.74Å
327E98.7Very high96.7Very high101 Ų10154 Ų5447%0.47228%0.277SS..Hα-helixtrans-63.9-47176.1-174.8-174.3135.300111.9K219 Y263 K285 G323 N324 L329 G330K219-E327 PolarHBondContact NZ-O 2.8Å; Y263-E327 PolarHBondContact OH-OE1 2.74Å; K285-E327 IonicContact NZ-OE1 3.56Å; G323-E327 PolarHBondContact O-N 3.29Å; N324-E327 PolarHBondContact O-N 3.37Å; E327-L329 PolarHBondContact O-N 3.39Å; E327-G330 PolarHBondContact O-N 3.21Å
328F98.9Very high96.9Very high0 Ų049.7 Ų49.70%026%0.26CS..Hα-helixtrans-56.2-50.5175.9169.6-110.6000110.4I5 S170 K219 C221 Y263 M287 N324 A325 G330I5-F328 HydrophobicContact CD1-CD1 3.84Å; I5-F328 HydrophobicContact CD1-CE1 3.96Å; I5-F328 HydrophobicContact CG1-CD1 4.18Å; I5-F328 HydrophobicContact CG1-CE1 4.1Å; S170-F328 PolarHBondContact OG-O 3.49Å; K219-F328 HydrophobicContact CB-CD2 4.02Å; K219-F328 HydrophobicContact CB-CE2 4.08Å; K219-F328 WeakPolarHBondContact CD-O 3.42Å; K219-F328 PolarHBondContact NZ-O 3.29Å; C221-F328 HydrophobicContact CB-CD2 4.31Å; C221-F328 HydrophobicContact CB-CE1 4.04Å; C221-F328 HydrophobicContact CB-CE2 3.62Å; C221-F328 HydrophobicContact CB-CZ 3.46Å; C221-F328 VanDerWaalsContact CB-CZ 3.46Å; Y263-F328 HydrophobicContact CD1-CB 4.26Å; Y263-F328 AromaticContact CD2-CD2 3.84Å; Y263-F328 HydrophobicContact CD2-CD2 3.84Å; Y263-F328 HydrophobicContact CE1-CB 4.14Å; Y263-F328 HydrophobicContact CE2-CD2 4.18Å; Y263-F328 HydrophobicContact CG-CD2 4.14Å; M287-F328 HydrophobicContact CE-CB 4.17Å; M287-F328 HydrophobicContact CE-CD1 3.79Å; M287-F328 HydrophobicContact CE-CD2 4.38Å; M287-F328 HydrophobicContact CE-CE1 4.26Å; M287-F328 HydrophobicContact CE-CG 3.86Å; M287-F328 HydrophobicContact SD-CB 3.47Å; M287-F328 WeakPolarHBondContact SD-CB 3.35Å; M287-F328 HydrophobicContact SD-CD1 4Å; M287-F328 HydrophobicContact SD-CG 3.83Å; N324-F328 VanDerWaalsContact O-CB 3.28Å; N324-F328 WeakPolarHBondContact O-CB 3.41Å; N324-F328 PolarHBondContact O-N 2.95Å; A325-F328 PolarHBondContact O-N 3.2Å; F328-G330 VanDerWaalsContact C-N 3.27Å; F328-G330 PolarHBondContact O-N 3.31Å
329L98.8Very high97.2Very high8 Ų847.8 Ų47.84%0.04225%0.25CC..Hα-helixtrans-76.5-8.7-179.2-64.3173.3000114.2I5 A72 V112 L114 P139 A325 L326 E327 L331I5-L329 HydrophobicContact CD1-CD1 3.63Å; I5-L329 HydrophobicContact CD1-CD2 3.82Å; I5-L329 HydrophobicContact CD1-CG 3.79Å; A72-L329 HydrophobicContact CB-CD1 4.44Å; V112-L329 HydrophobicContact CG2-CD1 4.05Å; L114-L329 HydrophobicContact CD2-CD2 3.93Å; P139-L329 HydrophobicContact CB-CB 3.98Å; P139-L329 HydrophobicContact CB-CD2 4.05Å; P139-L329 VanDerWaalsContact CB-O 3.24Å; P139-L329 WeakPolarHBondContact CB-O 3.46Å; P139-L329 HydrophobicContact CG-CB 4.36Å; P139-L329 HydrophobicContact CG-CD2 3.88Å; A325-L329 WeakPolarHBondContact O-CB 3.38Å; A325-L329 VanDerWaalsContact O-CG 3.25Å; A325-L329 WeakPolarHBondContact O-CG 3.34Å; A325-L329 PolarHBondContact O-N 2.88Å; L326-L329 PolarHBondContact O-N 3.43Å; E327-L329 PolarHBondContact O-N 3.39Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 HydrophobicContact CB-CB 4.37Å; L329-L331 HydrophobicContact CB-CD1 3.53Å; L329-L331 HydrophobicContact CB-CG 3.75Å; L329-L331 HydrophobicContact CD1-CD1 3.8Å; L329-L331 HydrophobicContact CG-CD1 4.3Å; L329-L331 PolarHBondContact O-N 3.1Å
330G98.4Very high97.1Very high56 Ų5648.4 Ų48.458%0.57726%0.255SS*.THydrogen-bonded Turntrans67.629.5-174.900000113.4L326 E327 F328L326-G330 PolarHBondContact O-N 2.95Å; E327-G330 PolarHBondContact O-N 3.21Å; F328-G330 VanDerWaalsContact C-N 3.27Å; F328-G330 PolarHBondContact O-N 3.31Å
331L98.3Very high97.1Very high31 Ų3151.2 Ų51.216%0.16227%0.27CS..  trans-108.3160.6-175.8-61.9171.6000111.2V112 P139 L326 L329 F336V112-L331 HydrophobicContact CB-CD1 4.44Å; V112-L331 HydrophobicContact CG1-CD1 3.83Å; V112-L331 HydrophobicContact CG2-CD1 4.39Å; P139-L331 HydrophobicContact CB-CD1 4.32Å; P139-L331 HydrophobicContact CB-CD2 4.48Å; P139-L331 HydrophobicContact CB-CG 4.39Å; P139-L331 HydrophobicContact CG-CD1 4.23Å; L326-L331 HydrophobicContact CD2-CB 3.99Å; L326-L331 PolarHBondContact O-N 3.02Å; L329-L331 VanDerWaalsContact C-N 3.29Å; L329-L331 HydrophobicContact CB-CB 4.37Å; L329-L331 HydrophobicContact CB-CD1 3.53Å; L329-L331 HydrophobicContact CB-CG 3.75Å; L329-L331 HydrophobicContact CD1-CD1 3.8Å; L329-L331 HydrophobicContact CG-CD1 4.3Å; L329-L331 PolarHBondContact O-N 3.1Å; L331-F336 HydrophobicContact CB-CE2 4.27Å; L331-F336 HydrophobicContact CD1-CE2 4.35Å; L331-F336 HydrophobicContact CD1-CZ 3.99Å
332K97.7Very high97Very high147 Ų14754.1 Ų54.164%0.63929%0.285SS*.  trans-115.7148.5179-51.1-176.6177.5176.60110.9E334 Q335K332-E334 WeakPolarHBondContact CB-OE2 3.38Å; K332-E334 PolarHBondContact O-N 2.98Å; K332-Q335 WeakPolarHBondContact O-CB 3.45Å; K332-Q335 PolarHBondContact O-N 2.98Å; K332-Q335 VanDerWaalsContact O-N 3.16Å; K332-Q335 PolarHBondContact O-OE1 3.23Å
333R96.4Very high96.9Very high94 Ų9457.7 Ų57.736%0.35530%0.304SS..G310 helixtrans-58.9-34.3-176-178167.6-72.6-135.12.7112M1 L326 Q335 F336 V337M1-R333 HydrophobicContact SD-CG 3.82Å; L326-R333 HydrophobicContact CD1-CB 4.07Å; R333-Q335 PolarHBondContact O-N 2.7Å; R333-Q335 VanDerWaalsContact O-N 3.17Å; R333-F336 PolarHBondContact O-N 3.2Å; R333-F336 VanDerWaalsContact O-N 3.1Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å
334E96.6Very high96.8Very high139 Ų13960.5 Ų60.565%0.6531%0.311SS*.G310 helixtrans-64.7-18.1-177.2-55.774.1-15700113.3K332 F336K332-E334 WeakPolarHBondContact CB-OE2 3.38Å; K332-E334 PolarHBondContact O-N 2.98Å; E334-F336 PolarHBondContact O-N 3.2Å
335Q96Very high96.6Very high99 Ų9964.9 Ų64.946%0.46333%0.334SS..G310 helixtrans-67.8-17.2175-63.3177.4-88.700112.6K332 R333K332-Q335 WeakPolarHBondContact O-CB 3.45Å; K332-Q335 PolarHBondContact O-N 2.98Å; K332-Q335 VanDerWaalsContact O-N 3.16Å; K332-Q335 PolarHBondContact O-OE1 3.23Å; R333-Q335 PolarHBondContact O-N 2.7Å; R333-Q335 VanDerWaalsContact O-N 3.17Å
336F96.1Very high96.4Very high17 Ų1770.3 Ų70.38%0.07536%0.362CS..G310 helixtrans-122.713.9-170-52.1-65.7000113.8M1 V70 K109 V112 L326 L331 R333 E334M1-F336 HydrophobicContact CE-CB 3.93Å; M1-F336 HydrophobicContact CE-CD2 3.57Å; M1-F336 HydrophobicContact CE-CE2 4.42Å; M1-F336 HydrophobicContact CE-CG 3.99Å; V70-F336 HydrophobicContact CB-CD1 4.46Å; V70-F336 HydrophobicContact CG1-CD1 4.18Å; V70-F336 HydrophobicContact CG1-CE1 3.87Å; V70-F336 HydrophobicContact CG1-CZ 4.19Å; V70-F336 HydrophobicContact CG2-CB 3.73Å; V70-F336 HydrophobicContact CG2-CD1 3.38Å; V70-F336 HydrophobicContact CG2-CD2 3.92Å; V70-F336 HydrophobicContact CG2-CE1 3.91Å; V70-F336 HydrophobicContact CG2-CE2 4.37Å; V70-F336 HydrophobicContact CG2-CG 3.38Å; V70-F336 HydrophobicContact CG2-CZ 4.36Å; K109-F336 WeakPolarHBondContact O-CD1 3.35Å; V112-F336 HydrophobicContact CG1-CE1 3.81Å; V112-F336 HydrophobicContact CG1-CZ 3.69Å; L326-F336 HydrophobicContact CD2-CD2 4.12Å; L326-F336 HydrophobicContact CD2-CE2 3.74Å; L331-F336 HydrophobicContact CB-CE2 4.27Å; L331-F336 HydrophobicContact CD1-CE2 4.35Å; L331-F336 HydrophobicContact CD1-CZ 3.99Å; R333-F336 PolarHBondContact O-N 3.2Å; R333-F336 VanDerWaalsContact O-N 3.1Å; E334-F336 PolarHBondContact O-N 3.2Å
337V82.3Confident96.2Very high138 Ų13875.5 Ų75.584%0.83639%0.388SS*.  trans-98.30176.8-167.10000110.4K109 R333K109-V337 WeakPolarHBondContact CE-O 3.25Å; K109-V337 PolarHBondContact NZ-O 2.87Å; R333-V337 WeakPolarHBondContact O-CG2 3.46Å

Retrieved 337 of 337 residues in 79.8 ms (Link to these results)

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