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RNA polymerase II subunit A C-terminal domain phosphatase SSU72

Protein phosphatase that catalyzes the dephosphorylation of the C-terminal domain of RNA polymerase II. Plays a role in RNA processing and termination.

AlphaFold DB , UniProt , Accession A0A3P9NC17, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 194 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
1M32.5Very low78.5Confident232 Ų23269.6 Ų69.6100%1.14338%0.375SS*.  0147.70-62.9-163.5-170.500106.2S3M1-S3 PolarHBondContact O-N 3.18Å
2P44.3Very low80.1Confident127 Ų12764.1 Ų64.183%0.82535%0.346SS*.PPolyproline II helixtrans-59.5129.2170.124.8-26.4000107.1
3S60.1Low81.5Confident73 Ų7361.7 Ų61.751%0.5134%0.337SS..PPolyproline II helixtrans-47141.9169.642.90000108.5M1M1-S3 PolarHBondContact O-N 3.18Å
4Q66.6Low82.7Confident178 Ų17858.2 Ų58.283%0.83232%0.319SS*.PPolyproline II helixtrans-53.4138.6174.5-75.2-173.6-8.800108.7L6Q4-L6 PolarHBondContact O-N 2.77Å
5P79Confident83.8Confident80 Ų8054.3 Ų54.352%0.51930%0.298SS..PPolyproline II helixtrans-61.2124.4-177.224.2-32.1000109.3R7P5-R7 PolarHBondContact O-N 2.74Å
6L90Very high84.7Confident8 Ų851.3 Ų51.34%0.04228%0.281CS..PPolyproline II helixtrans-52.1120.9-179.5-175.271000110.5Q4 V8 D106 L107 C159 I162 M168Q4-L6 PolarHBondContact O-N 2.77Å; L6-V8 HydrophobicContact CB-CG2 4.44Å; L6-V8 HydrophobicContact CD2-CG2 3.73Å; L6-V8 HydrophobicContact CG-CG2 3.74Å; L6-D106 HydrophobicContact CD1-CB 3.7Å; L6-L107 HydrophobicContact CD1-CB 4.37Å; L6-L107 HydrophobicContact CD2-CD2 4.03Å; L6-C159 HydrophobicContact CD2-CB 4.46Å; L6-I162 HydrophobicContact CD1-CG2 4.47Å; L6-I162 HydrophobicContact CD2-CG2 4.12Å; L6-M168 HydrophobicContact CD1-CE 3.19Å
7R96.3Very high85.5Confident68 Ų6848.8 Ų48.826%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-91.3110.8177.8-167.9166.3-165.9-130-2.9110.1P5 D32 D103 K104 F105 D106 L107P5-R7 PolarHBondContact O-N 2.74Å; R7-D32 CarbonylContact C-O 3.38Å; R7-D32 WeakPolarHBondContact CA-O 3.47Å; R7-D32 VanDerWaalsContact CD-OD2 3.25Å; R7-D32 WeakPolarHBondContact CD-OD2 3.34Å; R7-D32 HydrophobicContact CG-CB 4.37Å; R7-D32 WeakPolarHBondContact CG-OD2 3.41Å; R7-D32 IonicContact NE-OD2 2.8Å; R7-D32 PolarHBondContact NE-OD2 3.25Å; R7-D103 IonicContact CZ-OD2 3.07Å; R7-D103 IonicContact NH1-OD2 2.93Å; R7-D103 IonicContact NH2-OD2 3.76Å; R7-D103 PolarHBondContact NH2-OD2 2.84Å; R7-K104 WeakPolarHBondContact CD-O 3.25Å; R7-K104 PolarHBondContact NH1-O 3Å; R7-F105 HydrophobicContact CG-CD1 3.92Å; R7-F105 HydrophobicContact CG-CE1 4.46Å; R7-D106 WeakPolarHBondContact CB-OD2 3.35Å; R7-D106 PolarHBondContact N-OD2 3.11Å; R7-D106 PolarHBondContact O-N 3.07Å; R7-L107 PolarHBondContact O-N 3.22Å
8V98.2Very high86.2Confident0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-110.8135.7-169.1-174.80000111.4L6 V10 L26 F31 D32 V33 R34 L107 I109L6-V8 HydrophobicContact CB-CG2 4.44Å; L6-V8 HydrophobicContact CD2-CG2 3.73Å; L6-V8 HydrophobicContact CG-CG2 3.74Å; V8-V10 HydrophobicContact CG1-CG2 4.2Å; V8-L26 HydrophobicContact CG1-CD1 4.19Å; V8-F31 HydrophobicContact CG2-CD1 4.37Å; V8-D32 PolarHBondContact N-O 3.32Å; V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.3Å; V8-V33 WeakPolarHBondContact O-CA 3.23Å; V8-R34 PolarHBondContact O-N 2.94Å; V8-L107 CarbonylContact C-O 3.5Å; V8-L107 WeakPolarHBondContact CA-O 3.42Å; V8-I109 HydrophobicContact CG1-CD1 4.26Å
9A98.8Very high86.9Confident0 Ų043.9 Ų43.90%024%0.24CC..EExtended strand (participates in β ladder)trans-111131.1163.400000110.4R34 F36 F105 L107 V108 I109A9-R34 CarbonylContact C-O 3.56Å; A9-R34 WeakPolarHBondContact CA-O 3.48Å; A9-F36 HydrophobicContact CB-CD2 4.12Å; A9-F36 HydrophobicContact CB-CE2 3.99Å; A9-F105 HydrophobicContact CB-CB 4.34Å; A9-F105 HydrophobicContact CB-CD1 3.67Å; A9-F105 HydrophobicContact CB-CD2 3.76Å; A9-F105 HydrophobicContact CB-CE1 3.89Å; A9-F105 HydrophobicContact CB-CE2 3.95Å; A9-F105 HydrophobicContact CB-CG 3.63Å; A9-F105 HydrophobicContact CB-CZ 4.03Å; A9-L107 PolarHBondContact N-O 3.01Å; A9-V108 HydrophobicContact CB-CG1 4.44Å; A9-V108 HydrophobicContact CB-CG2 4.2Å; A9-V108 CarbonylContact O-C 3.6Å; A9-V108 WeakPolarHBondContact O-CA 3.33Å; A9-I109 PolarHBondContact O-N 3.43Å
10V98.8Very high87.5Confident0 Ų041.8 Ų41.80%023%0.228CC..EExtended strand (participates in β ladder)trans-110.1128.2170.4-167.70000110.7V8 S19 A22 L26 V33 R34 S35 F36 I109 I155V8-V10 HydrophobicContact CG1-CG2 4.2Å; V10-S19 WeakPolarHBondContact O-CB 3.42Å; V10-A22 HydrophobicContact CB-CB 4.3Å; V10-A22 HydrophobicContact CG1-CB 3.81Å; V10-A22 HydrophobicContact CG2-CB 4.11Å; V10-L26 HydrophobicContact CG2-CD1 3.65Å; V10-V33 HydrophobicContact CG2-CG2 4.29Å; V10-R34 PolarHBondContact N-O 2.84Å; V10-S35 CarbonylContact O-C 3.59Å; V10-S35 WeakPolarHBondContact O-CA 3.49Å; V10-F36 PolarHBondContact O-N 3.18Å; V10-I109 CarbonylContact C-O 3.53Å; V10-I109 WeakPolarHBondContact CA-O 3.42Å; V10-I155 HydrophobicContact CG1-CD1 4.17Å; V10-I155 HydrophobicContact CG2-CG2 4.46Å
11V98.9Very high88Confident0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-126.1127.3-168.7-165.10000110.5F36 T38 F98 V108 I109 T110 C111 V115 V119V11-F36 HydrophobicContact CG1-CB 4.13Å; V11-F36 HydrophobicContact CG2-CB 4.26Å; V11-F36 HydrophobicContact CG2-CD2 4.47Å; V11-T38 HydrophobicContact CG1-CG2 3.69Å; V11-F98 HydrophobicContact CG1-CB 4.26Å; V11-F98 HydrophobicContact CG1-CD2 4.49Å; V11-F98 HydrophobicContact CG1-CG 4.5Å; V11-F98 HydrophobicContact CG2-CD2 3.81Å; V11-F98 HydrophobicContact CG2-CE2 4.12Å; V11-V108 HydrophobicContact CG2-CG1 3.76Å; V11-I109 PolarHBondContact N-O 3.17Å; V11-T110 HydrophobicContact CB-CG2 4.31Å; V11-T110 WeakPolarHBondContact O-CA 3.15Å; V11-C111 PolarHBondContact O-N 3.3Å; V11-C111 PolarHBondContact O-SG 3Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; V11-V115 HydrophobicContact CB-CG1 4.05Å; V11-V115 HydrophobicContact CG1-CG1 3.68Å; V11-V119 HydrophobicContact CB-CG2 4.29Å; V11-V119 HydrophobicContact CG1-CG2 3.97Å; V11-V119 HydrophobicContact CG2-CG2 4.34Å
12C98.3Very high91.2Very high3 Ų330 Ų302%0.0217%0.169CC..EExtended strand (participates in β ladder)trans-126.6-165.4168.677.70000110.2N15 R18 S19 F36 G37 T38 C111C12-N15 PolarHBondContact SG-N 3.22Å; C12-R18 HydrophobicContact CB-CB 4.21Å; C12-S19 PolarHBondContact SG-OG 3.47Å; C12-F36 PolarHBondContact N-O 2.84Å; C12-G37 CarbonylContact O-C 3.57Å; C12-G37 WeakPolarHBondContact O-CA 3.28Å; C12-T38 PolarHBondContact O-N 3.33Å; C12-C111 HydrophobicContact CB-CB 4.02Å
13S98.3Very high93.7Very high33 Ų3325 Ų2523%0.23113%0.134CC..SBendtrans-71.5-55.5179.7-172.40000113G37 T38 G39S13-G37 CarbonylContact O-C 3.54Å; S13-G37 WeakPolarHBondContact O-CA 3.24Å; S13-T38 PolarHBondContact O-N 2.93Å; S13-G39 PolarHBondContact O-N 3.32Å
14S98.4Very high95.6Very high13 Ų1322.9 Ų22.99%0.09112%0.117CC..SBendtrans-108.1-0.9-169.3-71.20000115.1Q16 K43S14-Q16 VanDerWaalsContact C-N 3.29Å; S14-Q16 PolarHBondContact O-N 2.68Å; S14-K43 PolarHBondContact OG-N 3.37Å
15N98.7Very high97.1Very high0 Ų015 Ų150%08%0.081CC..SBendtrans53.844.4-172.6-154.4-2.5000113C12 S19 M20 S35 F36 Y61 K92 P95 E96C12-N15 PolarHBondContact SG-N 3.22Å; N15-S19 PolarHBondContact OD1-OG 2.82Å; N15-M20 WeakPolarHBondContact O-CG 3.17Å; N15-M20 PolarHBondContact OD1-SD 3.25Å; N15-M20 VanDerWaalsContact OD1-SD 3.39Å; N15-S35 PolarHBondContact ND2-O 3.11Å; N15-S35 PolarHBondContact OD1-OG 3.22Å; N15-F36 VanDerWaalsContact CG-C 3.48Å; N15-F36 WeakPolarHBondContact ND2-CA 3.36Å; N15-F36 PolarHBondContact ND2-N 2.71Å; N15-Y61 PolarHBondContact O-OH 3.23Å; N15-K92 PolarHBondContact ND2-NZ 2.97Å; N15-P95 HydrophobicContact CB-CB 3.79Å; N15-E96 PolarHBondContact ND2-N 3.43Å; N15-E96 PolarHBondContact ND2-O 3.31Å
16Q98.5Very high98Very high5 Ų511.2 Ų11.22%0.0236%0.056CC..SBendtrans-119.9-58.4-174.7-76.4-67.6-8.500112.6S14 M20 V42 L44 M64 M84 R87 N88S14-Q16 VanDerWaalsContact C-N 3.29Å; S14-Q16 PolarHBondContact O-N 2.68Å; Q16-M20 WeakPolarHBondContact O-CB 3.47Å; Q16-V42 HydrophobicContact CG-CG1 3.77Å; Q16-L44 HydrophobicContact CB-CD2 4.13Å; Q16-L44 HydrophobicContact CG-CD2 3.8Å; Q16-L44 HydrophobicContact CG-CG 4.41Å; Q16-M64 PolarHBondContact NE2-SD 3.02Å; Q16-M84 HydrophobicContact CB-SD 4.18Å; Q16-R87 PolarHBondContact O-NH2 3.14Å; Q16-N88 PolarHBondContact O-ND2 3.43Å; Q16-N88 PolarHBondContact O-OD1 2.9Å; Q16-N88 PolarHBondContact OE1-ND2 3.48Å
17N98Very high98.3Very high10 Ų1014 Ų145%0.0538%0.076CC..SBendtrans-100.5-87.7-170.6-175.729.6000111.3S19 M20 E21 M84 D143 N144 A148N17-S19 PolarHBondContact O-N 3.34Å; N17-M20 PolarHBondContact O-N 2.94Å; N17-E21 PolarHBondContact O-N 3.03Å; N17-M84 HydrophobicContact CB-CE 3.83Å; N17-M84 HydrophobicContact CB-SD 3.92Å; N17-D143 WeakPolarHBondContact CB-OD1 3.38Å; N17-D143 PolarHBondContact ND2-OD1 3.21Å; N17-N144 PolarHBondContact ND2-O 3.22Å; N17-A148 WeakPolarHBondContact OD1-CB 3.4Å
18R98.6Very high98.3Very high5 Ų518.2 Ų18.22%0.01910%0.097CC..Hα-helixtrans-52-57-172.7-63.8169.4-79.3169.1-3.3114.3C12 M20 E21 A22 C111 E112 I141 D143 A148C12-R18 HydrophobicContact CB-CB 4.21Å; R18-M20 VanDerWaalsContact C-N 3.31Å; R18-M20 PolarHBondContact O-N 2.73Å; R18-E21 PolarHBondContact O-N 2.7Å; R18-A22 PolarHBondContact O-N 3.16Å; R18-A22 VanDerWaalsContact O-N 3.09Å; R18-C111 HydrophobicContact CB-CB 3.92Å; R18-C111 PolarHBondContact NH1-O 2.88Å; R18-E112 IonicContact CZ-OE2 3.04Å; R18-E112 VanDerWaalsContact NH1-CD 3.31Å; R18-E112 IonicContact NH1-OE2 3.43Å; R18-E112 PolarHBondContact NH1-OE2 2.98Å; R18-E112 IonicContact NH2-OE1 2.88Å; R18-E112 PolarHBondContact NH2-OE1 3.12Å; R18-E112 IonicContact NH2-OE2 3.22Å; R18-E112 PolarHBondContact NH2-OE2 3.3Å; R18-E112 VanDerWaalsContact NH2-OE2 3.08Å; R18-I141 WeakPolarHBondContact CD-O 3.39Å; R18-I141 HydrophobicContact CG-CB 4.4Å; R18-I141 HydrophobicContact CG-CG2 3.83Å; R18-I141 PolarHBondContact NH1-O 2.9Å; R18-D143 IonicContact CZ-OD2 3.19Å; R18-D143 IonicContact NE-OD1 2.88Å; R18-D143 PolarHBondContact NE-OD1 2.83Å; R18-D143 IonicContact NE-OD2 3.84Å; R18-D143 PolarHBondContact NE-OD2 2.72Å; R18-D143 IonicContact NH2-OD2 3.08Å; R18-D143 PolarHBondContact NH2-OD2 3.46Å; R18-A148 HydrophobicContact CG-CB 4.03Å
19S98.7Very high98.2Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-66.5-29.8-178.564.20000113.9V10 C12 N15 N17 H23 F36V10-S19 WeakPolarHBondContact O-CB 3.42Å; C12-S19 PolarHBondContact SG-OG 3.47Å; N15-S19 PolarHBondContact OD1-OG 2.82Å; N17-S19 PolarHBondContact O-N 3.34Å; S19-H23 VanDerWaalsContact O-CB 3.29Å; S19-H23 WeakPolarHBondContact O-CB 3.19Å; S19-H23 PolarHBondContact O-N 3.27Å; S19-F36 PolarHBondContact OG-O 3.1Å
20M98.7Very high97.9Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-80.4-31.2179-71.9-61.6-66.300112.6N15 Q16 N17 R18 N24 S35 Y61 N88 I91 K92N15-M20 WeakPolarHBondContact O-CG 3.17Å; N15-M20 PolarHBondContact OD1-SD 3.25Å; N15-M20 VanDerWaalsContact OD1-SD 3.39Å; Q16-M20 WeakPolarHBondContact O-CB 3.47Å; N17-M20 PolarHBondContact O-N 2.94Å; R18-M20 VanDerWaalsContact C-N 3.31Å; R18-M20 PolarHBondContact O-N 2.73Å; M20-N24 WeakPolarHBondContact O-CB 3.3Å; M20-N24 PolarHBondContact O-N 3.27Å; M20-S35 PolarHBondContact SD-OG 2.65Å; M20-Y61 HydrophobicContact CE-CE2 4.31Å; M20-N88 VanDerWaalsContact CB-OD1 3.26Å; M20-N88 WeakPolarHBondContact CB-OD1 3.4Å; M20-N88 HydrophobicContact CE-CB 3.94Å; M20-I91 HydrophobicContact CE-CB 3.76Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.43Å; M20-I91 HydrophobicContact CE-CG2 3.75Å; M20-K92 HydrophobicContact CE-CD 4.49Å; M20-K92 HydrophobicContact CE-CG 4.19Å; M20-K92 HydrophobicContact SD-CD 4.43Å
21E98.6Very high97.8Very high27 Ų2729.4 Ų29.413%0.12616%0.159CC..Hα-helixtrans-66.8-45.9170.8-165.957.7-127.400110.2N17 R18 H23 N24 I25 R87 A148 A152N17-E21 PolarHBondContact O-N 3.03Å; R18-E21 PolarHBondContact O-N 2.7Å; E21-H23 PolarHBondContact O-N 3.08Å; E21-N24 WeakPolarHBondContact O-CB 3.45Å; E21-N24 PolarHBondContact O-N 3.17Å; E21-I25 PolarHBondContact O-N 3.41Å; E21-I25 VanDerWaalsContact O-N 3.12Å; E21-R87 WeakPolarHBondContact OE2-CD 3.17Å; E21-R87 IonicContact OE2-CZ 3.24Å; E21-R87 IonicContact OE2-NE 3.69Å; E21-R87 IonicContact OE2-NH1 2.73Å; E21-R87 PolarHBondContact OE2-NH1 3.44Å; E21-A148 HydrophobicContact CB-CB 4.4Å; E21-A152 HydrophobicContact CB-CB 4.24Å; E21-A152 HydrophobicContact CG-CB 3.91Å
22A98.6Very high97.7Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-59.7-44.4173.200000112.4V10 R18 N24 I25 L26 A152 I155V10-A22 HydrophobicContact CB-CB 4.3Å; V10-A22 HydrophobicContact CG1-CB 3.81Å; V10-A22 HydrophobicContact CG2-CB 4.11Å; R18-A22 PolarHBondContact O-N 3.16Å; R18-A22 VanDerWaalsContact O-N 3.09Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.16Å; A22-I25 PolarHBondContact O-N 3.19Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.3Å; A22-L26 PolarHBondContact O-N 2.89Å; A22-A152 HydrophobicContact CB-CB 4.11Å; A22-I155 HydrophobicContact CB-CD1 4.1Å; A22-I155 HydrophobicContact CB-CG2 4.36Å
23H98.8Very high97.7Very high21 Ų2133.3 Ų33.310%0.09718%0.181CC..Hα-helixtrans-54.6-49.5174.2-171.3137.1000111.3S19 E21 I25 L26 S27 S35 I91S19-H23 VanDerWaalsContact O-CB 3.29Å; S19-H23 WeakPolarHBondContact O-CB 3.19Å; S19-H23 PolarHBondContact O-N 3.27Å; E21-H23 PolarHBondContact O-N 3.08Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 2.96Å; H23-L26 PolarHBondContact O-N 3.42Å; H23-S27 WeakPolarHBondContact O-CB 3.3Å; H23-S27 PolarHBondContact O-N 2.83Å; H23-S35 WeakPolarHBondContact ND1-CB 3.23Å; H23-S35 PolarHBondContact ND1-OG 3.47Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.26Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.41Å
24N98.5Very high97.7Very high29 Ų2934.2 Ų34.216%0.15518%0.179CC..Hα-helixtrans-57-45.2-179.8-176.844.5000112.1M20 E21 A22 K28 I91M20-N24 WeakPolarHBondContact O-CB 3.3Å; M20-N24 PolarHBondContact O-N 3.27Å; E21-N24 WeakPolarHBondContact O-CB 3.45Å; E21-N24 PolarHBondContact O-N 3.17Å; A22-N24 VanDerWaalsContact C-N 3.34Å; A22-N24 PolarHBondContact O-N 3.16Å; N24-K28 PolarHBondContact ND2-NZ 3.37Å; N24-K28 WeakPolarHBondContact O-CB 3.48Å; N24-K28 WeakPolarHBondContact O-CD 3.47Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.22Å; N24-K28 VanDerWaalsContact OD1-CE 3.23Å; N24-K28 WeakPolarHBondContact OD1-CE 3.25Å; N24-K28 PolarHBondContact OD1-NZ 3.31Å; N24-I91 HydrophobicContact CB-CD1 3.72Å
25I98.1Very high97.7Very high14 Ų1433.6 Ų33.67%0.07218%0.175CC..Hα-helixtrans-69.4-51.2-180-62.9-169.9000110.7E21 A22 H23 S27 K28 R29 A152 F153 C156E21-I25 PolarHBondContact O-N 3.41Å; E21-I25 VanDerWaalsContact O-N 3.12Å; A22-I25 PolarHBondContact O-N 3.19Å; H23-I25 VanDerWaalsContact C-N 3.33Å; H23-I25 PolarHBondContact O-N 2.96Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3Å; I25-K28 PolarHBondContact O-N 3.44Å; I25-R29 HydrophobicContact CG2-CG 4.47Å; I25-R29 VanDerWaalsContact O-CG 3.28Å; I25-R29 WeakPolarHBondContact O-CG 3.44Å; I25-R29 PolarHBondContact O-N 2.88Å; I25-R29 VanDerWaalsContact O-N 3.1Å; I25-A152 HydrophobicContact CD1-CB 3.57Å; I25-A152 HydrophobicContact CG1-CB 4.23Å; I25-F153 HydrophobicContact CD1-CD1 3.98Å; I25-F153 HydrophobicContact CD1-CD2 4.27Å; I25-F153 HydrophobicContact CD1-CE1 3.88Å; I25-F153 HydrophobicContact CD1-CE2 4.18Å; I25-F153 HydrophobicContact CD1-CG 4.17Å; I25-F153 HydrophobicContact CD1-CZ 3.98Å; I25-C156 HydrophobicContact CG2-CB 3.84Å
26L97.6Very high97.7Very high0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-59.2-44.4-179.1-73.2172000111.7V8 V10 A22 H23 K28 R29 G30 F31 V33 I155 C156 C159V8-L26 HydrophobicContact CG1-CD1 4.19Å; V10-L26 HydrophobicContact CG2-CD1 3.65Å; A22-L26 WeakPolarHBondContact O-CB 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.3Å; A22-L26 PolarHBondContact O-N 2.89Å; H23-L26 PolarHBondContact O-N 3.42Å; L26-K28 PolarHBondContact O-N 3.08Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 WeakPolarHBondContact O-CA 3.19Å; L26-R29 PolarHBondContact O-N 2.86Å; L26-G30 PolarHBondContact O-N 2.92Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CB-CD2 4.26Å; L26-F31 HydrophobicContact CB-CG 4.49Å; L26-F31 HydrophobicContact CD2-CD2 3.59Å; L26-F31 HydrophobicContact CD2-CE2 3.87Å; L26-F31 HydrophobicContact CD2-CG 4Å; L26-F31 HydrophobicContact CD2-CZ 4.5Å; L26-F31 PolarHBondContact O-N 3.1Å; L26-F31 VanDerWaalsContact O-N 3.16Å; L26-V33 HydrophobicContact CB-CB 4.02Å; L26-V33 HydrophobicContact CB-CG1 3.93Å; L26-V33 HydrophobicContact CB-CG2 4.05Å; L26-V33 HydrophobicContact CD1-CB 4.43Å; L26-V33 HydrophobicContact CD1-CG2 3.76Å; L26-I155 HydrophobicContact CD1-CG2 3.96Å; L26-C156 HydrophobicContact CD2-CB 4.18Å; L26-C159 HydrophobicContact CD2-CB 3.95Å
27S97.2Very high97.7Very high66 Ų6633.4 Ų33.446%0.46217%0.174SC..Hα-helixtrans-61.4-43.5178.1-1800000111.8H23 I25 R29 G30H23-S27 WeakPolarHBondContact O-CB 3.3Å; H23-S27 PolarHBondContact O-N 2.83Å; I25-S27 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 3Å; S27-R29 PolarHBondContact O-N 3.3Å; S27-G30 PolarHBondContact O-N 3.06Å; S27-G30 VanDerWaalsContact O-N 3.08Å
28K96.4Very high97.8Very high156 Ų15633 Ų3368%0.67817%0.172SC*.Hα-helixtrans-65.2-21.6174.9-75173.1-178.3167.70113.7N24 I25 L26N24-K28 PolarHBondContact ND2-NZ 3.37Å; N24-K28 WeakPolarHBondContact O-CB 3.48Å; N24-K28 WeakPolarHBondContact O-CD 3.47Å; N24-K28 VanDerWaalsContact O-CG 3.27Å; N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.22Å; N24-K28 VanDerWaalsContact OD1-CE 3.23Å; N24-K28 WeakPolarHBondContact OD1-CE 3.25Å; N24-K28 PolarHBondContact OD1-NZ 3.31Å; I25-K28 PolarHBondContact O-N 3.44Å; L26-K28 PolarHBondContact O-N 3.08Å
29R95Very high97.7Very high156 Ų15633.2 Ų33.259%0.58918%0.175SC*.THydrogen-bonded Turntrans-92.10.4176.5-64.8-71.7-168.4165.94.9113I25 L26 S27 F31I25-R29 HydrophobicContact CG2-CG 4.47Å; I25-R29 VanDerWaalsContact O-CG 3.28Å; I25-R29 WeakPolarHBondContact O-CG 3.44Å; I25-R29 PolarHBondContact O-N 2.88Å; I25-R29 VanDerWaalsContact O-N 3.1Å; L26-R29 CarbonylContact O-C 3.58Å; L26-R29 WeakPolarHBondContact O-CA 3.19Å; L26-R29 PolarHBondContact O-N 2.86Å; S27-R29 PolarHBondContact O-N 3.3Å; R29-F31 HydrophobicContact CB-CD2 3.94Å; R29-F31 HydrophobicContact CB-CE2 4.04Å
30G94.3Very high97.6Very high64 Ų6436.9 Ų36.966%0.6620%0.2SC*.THydrogen-bonded Turntrans89.111.7172.800000115.3L26 S27L26-G30 PolarHBondContact O-N 2.92Å; S27-G30 PolarHBondContact O-N 3.06Å; S27-G30 VanDerWaalsContact O-N 3.08Å
31F95.4Very high97.6Very high16 Ų1640.8 Ų40.87%0.0722%0.219CC..  trans-72.1146173.6-71.5-87.2000111.6V8 L26 R29 V33 C159 Q160 Q163V8-F31 HydrophobicContact CG2-CD1 4.37Å; L26-F31 HydrophobicContact CB-CB 4.18Å; L26-F31 HydrophobicContact CB-CD2 4.26Å; L26-F31 HydrophobicContact CB-CG 4.49Å; L26-F31 HydrophobicContact CD2-CD2 3.59Å; L26-F31 HydrophobicContact CD2-CE2 3.87Å; L26-F31 HydrophobicContact CD2-CG 4Å; L26-F31 HydrophobicContact CD2-CZ 4.5Å; L26-F31 PolarHBondContact O-N 3.1Å; L26-F31 VanDerWaalsContact O-N 3.16Å; R29-F31 HydrophobicContact CB-CD2 3.94Å; R29-F31 HydrophobicContact CB-CE2 4.04Å; F31-V33 PolarHBondContact O-N 2.68Å; F31-V33 VanDerWaalsContact O-N 3.1Å; F31-C159 HydrophobicContact CD1-CB 4.33Å; F31-C159 HydrophobicContact CE1-CB 3.65Å; F31-C159 HydrophobicContact CE2-CB 4.38Å; F31-C159 HydrophobicContact CZ-CB 3.69Å; F31-Q160 HydrophobicContact CE2-CG 3.98Å; F31-Q160 HydrophobicContact CZ-CG 3.73Å; F31-Q163 HydrophobicContact CE1-CB 4.38Å
32D96.9Very high97.6Very high71 Ų7139.5 Ų39.538%0.3821%0.213SC..EExtended strand (participates in β ladder)trans-75.992.3163.5-178.510.6000108.4R7 V8R7-D32 CarbonylContact C-O 3.38Å; R7-D32 WeakPolarHBondContact CA-O 3.47Å; R7-D32 VanDerWaalsContact CD-OD2 3.25Å; R7-D32 WeakPolarHBondContact CD-OD2 3.34Å; R7-D32 HydrophobicContact CG-CB 4.37Å; R7-D32 WeakPolarHBondContact CG-OD2 3.41Å; R7-D32 IonicContact NE-OD2 2.8Å; R7-D32 PolarHBondContact NE-OD2 3.25Å; V8-D32 PolarHBondContact N-O 3.32Å
33V98.3Very high97.5Very high14 Ų1445.3 Ų45.39%0.08524%0.238CC..EExtended strand (participates in β ladder)trans-115.3136.2-173.663.40000112.5V8 V10 L26 F31V8-V33 CarbonylContact O-C 3.52Å; V8-V33 VanDerWaalsContact O-CA 3.3Å; V8-V33 WeakPolarHBondContact O-CA 3.23Å; V10-V33 HydrophobicContact CG2-CG2 4.29Å; L26-V33 HydrophobicContact CB-CB 4.02Å; L26-V33 HydrophobicContact CB-CG1 3.93Å; L26-V33 HydrophobicContact CB-CG2 4.05Å; L26-V33 HydrophobicContact CD1-CB 4.43Å; L26-V33 HydrophobicContact CD1-CG2 3.76Å; F31-V33 PolarHBondContact O-N 2.68Å; F31-V33 VanDerWaalsContact O-N 3.1Å
34R98.7Very high97.5Very high52 Ų5244.6 Ų44.620%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-121.4162.2163.4-62.5-163.362.1-173.3-4110.5V8 A9 V10 F36 E96 D103 F105V8-R34 PolarHBondContact O-N 2.94Å; A9-R34 CarbonylContact C-O 3.56Å; A9-R34 WeakPolarHBondContact CA-O 3.48Å; V10-R34 PolarHBondContact N-O 2.84Å; R34-F36 HydrophobicContact CB-CE2 3.64Å; R34-F36 HydrophobicContact CB-CZ 3.78Å; R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 VanDerWaalsContact NH2-CD 3.26Å; R34-E96 IonicContact NH2-OE1 3.71Å; R34-E96 PolarHBondContact NH2-OE1 2.93Å; R34-E96 IonicContact NH2-OE2 3.4Å; R34-E96 PolarHBondContact NH2-OE2 3.3Å; R34-D103 WeakPolarHBondContact CD-OD2 3.27Å; R34-D103 IonicContact CZ-OD2 3.18Å; R34-D103 IonicContact NE-OD2 2.82Å; R34-D103 IonicContact NH1-OD1 2.67Å; R34-D103 PolarHBondContact NH1-OD1 3.41Å; R34-D103 IonicContact NH1-OD2 2.69Å; R34-D103 PolarHBondContact NH1-OD2 3.29Å; R34-F105 HydrophobicContact CB-CE1 3.81Å; R34-F105 HydrophobicContact CB-CZ 4.05Å; R34-F105 HydrophobicContact CG-CE1 3.99Å; R34-F105 HydrophobicContact CG-CZ 4.37Å
35S98.8Very high97.4Very high0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-137.4144.6179.561.20000113.4V10 N15 M20 H23 K92V10-S35 CarbonylContact O-C 3.59Å; V10-S35 WeakPolarHBondContact O-CA 3.49Å; N15-S35 PolarHBondContact ND2-O 3.11Å; N15-S35 PolarHBondContact OD1-OG 3.22Å; M20-S35 PolarHBondContact SD-OG 2.65Å; H23-S35 WeakPolarHBondContact ND1-CB 3.23Å; H23-S35 PolarHBondContact ND1-OG 3.47Å; S35-K92 PolarHBondContact O-NZ 3.27Å; S35-K92 PolarHBondContact OG-NZ 3.48Å
36F98.9Very high97.3Very high1 Ų147.1 Ų47.10%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-138.6166.9-172.1-56.8-79.8000113.8A9 V10 V11 C12 N15 S19 R34 E96 F98 C101 F105A9-F36 HydrophobicContact CB-CD2 4.12Å; A9-F36 HydrophobicContact CB-CE2 3.99Å; V10-F36 PolarHBondContact O-N 3.18Å; V11-F36 HydrophobicContact CG1-CB 4.13Å; V11-F36 HydrophobicContact CG2-CB 4.26Å; V11-F36 HydrophobicContact CG2-CD2 4.47Å; C12-F36 PolarHBondContact N-O 2.84Å; N15-F36 VanDerWaalsContact CG-C 3.48Å; N15-F36 WeakPolarHBondContact ND2-CA 3.36Å; N15-F36 PolarHBondContact ND2-N 2.71Å; S19-F36 PolarHBondContact OG-O 3.1Å; R34-F36 HydrophobicContact CB-CE2 3.64Å; R34-F36 HydrophobicContact CB-CZ 3.78Å; F36-E96 CarbonylContact C-O 3.54Å; F36-E96 WeakPolarHBondContact CA-O 3.32Å; F36-E96 HydrophobicContact CD1-CB 3.77Å; F36-E96 HydrophobicContact CE1-CB 4.03Å; F36-F98 HydrophobicContact CB-CB 3.74Å; F36-F98 HydrophobicContact CB-CD2 3.96Å; F36-F98 HydrophobicContact CB-CG 4.36Å; F36-F98 AromaticContact CD2-CD2 3.82Å; F36-F98 HydrophobicContact CD2-CD2 3.82Å; F36-F98 HydrophobicContact CD2-CE2 4.45Å; F36-F98 HydrophobicContact CG-CB 4.29Å; F36-F98 AromaticContact CG-CD2 3.92Å; F36-F98 HydrophobicContact CG-CD2 3.92Å; F36-C101 HydrophobicContact CD1-CB 4.3Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.07Å; F36-C101 VanDerWaalsContact CZ-SG 3.55Å; F36-F105 HydrophobicContact CE2-CE1 4.36Å; F36-F105 AromaticContact CE2-CE2 3.95Å; F36-F105 HydrophobicContact CE2-CE2 3.95Å; F36-F105 AromaticContact CE2-CZ 3.56Å; F36-F105 HydrophobicContact CE2-CZ 3.56Å; F36-F105 HydrophobicContact CZ-CE2 4.33Å; F36-F105 AromaticContact CZ-CZ 3.82Å; F36-F105 HydrophobicContact CZ-CZ 3.82Å
37G98.7Very high97.1Very high0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-119.4140.8169.800000110C12 S13 E96 R97 F98C12-G37 CarbonylContact O-C 3.57Å; C12-G37 WeakPolarHBondContact O-CA 3.28Å; S13-G37 CarbonylContact O-C 3.54Å; S13-G37 WeakPolarHBondContact O-CA 3.24Å; G37-E96 PolarHBondContact N-O 3.42Å; G37-R97 CarbonylContact O-C 3.47Å; G37-R97 VanDerWaalsContact O-CA 3.25Å; G37-R97 WeakPolarHBondContact O-CA 3.32Å; G37-F98 PolarHBondContact O-N 3.35Å
38T98.6Very high97Very high2 Ų249.8 Ų49.81%0.01227%0.273CS..  trans-96.8-15.7171.551.50000113.6V11 C12 S13 F98 Q99 V115 Q118 V119V11-T38 HydrophobicContact CG1-CG2 3.69Å; C12-T38 PolarHBondContact O-N 3.33Å; S13-T38 PolarHBondContact O-N 2.93Å; T38-F98 HydrophobicContact CG2-CB 4.34Å; T38-Q99 PolarHBondContact O-NE2 3.04Å; T38-V115 HydrophobicContact CG2-CG1 3.85Å; T38-Q118 HydrophobicContact CG2-CB 3.95Å; T38-Q118 PolarHBondContact OG1-OE1 3.35Å; T38-V119 HydrophobicContact CG2-CG2 3.85Å
39G97.6Very high96.8Very high9 Ų948.8 Ų48.89%0.09328%0.282CS..SBendtrans-58.4157-177.800000112.9S13 H41 F57 R97S13-G39 PolarHBondContact O-N 3.32Å; G39-H41 VanDerWaalsContact C-N 3.29Å; G39-F57 WeakPolarHBondContact O-CE2 3.46Å; G39-R97 PolarHBondContact O-NE 3.41Å
40S96.9Very high96.8Very high76 Ų7647 Ų4753%0.53128%0.284SS..SBendtrans-69.2-31.7173.558.90000112.3
41H97.8Very high96.8Very high83 Ų8349.9 Ų49.938%0.38428%0.279SS..SBendtrans-139.7158.1179.2-6277.9000109.7G39 V54G39-H41 VanDerWaalsContact C-N 3.29Å; H41-V54 HydrophobicContact CB-CG1 3.61Å
42V98.1Very high96.9Very high0 Ų052 Ų520%029%0.294CS..EExtended strand (participates in β ladder)trans-79.5125.5170.8177.80000108.1Q16 V54 Y55 F57 M64 P95Q16-V42 HydrophobicContact CG-CG1 3.77Å; V42-V54 WeakPolarHBondContact O-CA 3.44Å; V42-Y55 PolarHBondContact N-O 3.26Å; V42-Y55 PolarHBondContact O-N 3.39Å; V42-F57 HydrophobicContact CG2-CD1 3.88Å; V42-F57 HydrophobicContact CG2-CD2 4.03Å; V42-F57 HydrophobicContact CG2-CE1 3.91Å; V42-F57 HydrophobicContact CG2-CE2 4.03Å; V42-F57 HydrophobicContact CG2-CG 3.96Å; V42-F57 HydrophobicContact CG2-CZ 3.98Å; V42-M64 HydrophobicContact CB-CE 4.29Å; V42-M64 HydrophobicContact CG1-CE 3.95Å; V42-M64 HydrophobicContact CG1-SD 4.18Å; V42-M64 HydrophobicContact CG2-CE 4.36Å; V42-P95 HydrophobicContact CG2-CB 4.02Å; V42-P95 HydrophobicContact CG2-CG 3.57Å
43K97.7Very high97Very high122 Ų12249.1 Ų49.153%0.5328%0.279SS..EExtended strand (participates in β ladder)trans-118133.5178-61.8-176.7-179.9-179.70110.4S14 N53 V54S14-K43 PolarHBondContact OG-N 3.37Å; K43-N53 WeakPolarHBondContact CA-O 3.31Å; K43-V54 HydrophobicContact CG-CG2 4.36Å
44L97.4Very high97Very high5 Ų552 Ų523%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-123.1147.4171.1-70.7170.6000109.3Q16 N53 Y55 L68 I81 L85Q16-L44 HydrophobicContact CB-CD2 4.13Å; Q16-L44 HydrophobicContact CG-CD2 3.8Å; Q16-L44 HydrophobicContact CG-CG 4.41Å; L44-N53 HydrophobicContact CB-CB 4.24Å; L44-N53 PolarHBondContact N-O 3.19Å; L44-N53 PolarHBondContact O-N 3.45Å; L44-Y55 HydrophobicContact CD1-CE2 4.09Å; L44-L68 HydrophobicContact CD1-CD1 4.11Å; L44-I81 HydrophobicContact CD1-CG2 4.17Å; L44-I81 HydrophobicContact CD2-CG2 4.29Å; L44-L85 HydrophobicContact CD1-CD1 4.16Å; L44-L85 HydrophobicContact CD1-CD2 4.19Å
45P96.9Very high97Very high83 Ų8350.8 Ų50.854%0.53929%0.292SS..  trans-54.3144.6172.5-22.630.7000111.5N53 I81P45-N53 PolarHBondContact O-ND2 2.9Å; P45-N53 VanDerWaalsContact O-ND2 3.07Å; P45-I81 HydrophobicContact CB-CD1 3.88Å; P45-I81 HydrophobicContact CG-CD1 3.93Å
46G96.4Very high97Very high14 Ų1454.2 Ų54.214%0.14431%0.31CS..  trans-118.7-160.717300000111.6S48 K51G46-S48 PolarHBondContact O-N 3.24Å; G46-K51 WeakPolarHBondContact CA-O 3.49Å
47P94.3Very high96.9Very high88 Ų8855 Ų5557%0.57131%0.314SS*.SBendtrans-67.5-19.7-176.627.7-35.2000113.7K51 L75P47-K51 HydrophobicContact CG-CB 4.4Å; P47-L75 HydrophobicContact CB-CD2 4Å
48S94.1Very high96.9Very high33 Ų3362.8 Ų62.823%0.23135%0.347CS..SBendtrans-148.2159175.662.50000110.9G46 D50 K51G46-S48 PolarHBondContact O-N 3.24Å; S48-D50 WeakPolarHBondContact CB-OD1 3.44Å; S48-D50 PolarHBondContact O-N 3.23Å; S48-D50 PolarHBondContact OG-OD1 2.88Å; S48-K51 PolarHBondContact O-N 3.4Å; S48-K51 WeakPolarHBondContact OG-CG 3.45Å
49P91.4Very high96.9Very high136 Ų13664.1 Ų64.188%0.88336%0.355SS*.THydrogen-bonded Turntrans-58.1-30.6-177.2-26.635.7000114.6K51P49-K51 VanDerWaalsContact C-N 3.33Å
50D95.3Very high97Very high117 Ų11765.5 Ų65.563%0.62636%0.362SS*.THydrogen-bonded Turntrans-81-8.4177.962.6-53.4000113.7S48 P52S48-D50 WeakPolarHBondContact CB-OD1 3.44Å; S48-D50 PolarHBondContact O-N 3.23Å; S48-D50 PolarHBondContact OG-OD1 2.88Å; D50-P52 WeakPolarHBondContact O-CD 3.35Å
51K95.9Very high97Very high126 Ų12661.9 Ų61.955%0.54834%0.337SS..  trans-12360.8-176.1-63.9179.6-174.2173.50112.3G46 P47 S48 P49G46-K51 WeakPolarHBondContact CA-O 3.49Å; P47-K51 HydrophobicContact CG-CB 4.4Å; S48-K51 PolarHBondContact O-N 3.4Å; S48-K51 WeakPolarHBondContact OG-CG 3.45Å; P49-K51 VanDerWaalsContact C-N 3.33Å
52P97.3Very high97.1Very high59 Ų5963.5 Ų63.538%0.38334%0.344SS..  trans-68152.4175.531.1-35.6000111.4D50 V54D50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-V54 HydrophobicContact CB-CG2 4.35Å; P52-V54 HydrophobicContact CG-CG2 4.04Å
53N98.3Very high97.1Very high12 Ų1268.6 Ų68.66%0.06437%0.368CS..EExtended strand (participates in β ladder)trans-82.4119.3166.2-65.8-75000108.6K43 L44 P45 Y55 L68 K71 Y76K43-N53 WeakPolarHBondContact CA-O 3.31Å; L44-N53 HydrophobicContact CB-CB 4.24Å; L44-N53 PolarHBondContact N-O 3.19Å; L44-N53 PolarHBondContact O-N 3.45Å; P45-N53 PolarHBondContact O-ND2 2.9Å; P45-N53 VanDerWaalsContact O-ND2 3.07Å; N53-Y55 HydrophobicContact CB-CE2 3.63Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; N53-K71 PolarHBondContact OD1-NZ 2.87Å; N53-Y76 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y76 PolarHBondContact ND2-OH 3.12Å
54V98.4Very high97.2Very high74 Ų7462.8 Ų62.845%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-116.5130.9-175.5-172.90000109.8H41 V42 K43 P52H41-V54 HydrophobicContact CB-CG1 3.61Å; V42-V54 WeakPolarHBondContact O-CA 3.44Å; K43-V54 HydrophobicContact CG-CG2 4.36Å; P52-V54 HydrophobicContact CB-CG2 4.35Å; P52-V54 HydrophobicContact CG-CG2 4.04Å
55Y98.6Very high97.2Very high26 Ų2665.3 Ų65.310%0.10235%0.353CS..EExtended strand (participates in β ladder)trans-133.5152.3-178.7-52.9-86000111.4V42 L44 N53 T59 M64 D67 L68V42-Y55 PolarHBondContact N-O 3.26Å; V42-Y55 PolarHBondContact O-N 3.39Å; L44-Y55 HydrophobicContact CD1-CE2 4.09Å; N53-Y55 HydrophobicContact CB-CE2 3.63Å; Y55-T59 HydrophobicContact CD1-CG2 4.21Å; Y55-M64 HydrophobicContact CD1-CG 4.14Å; Y55-M64 HydrophobicContact CD2-CE 4.33Å; Y55-M64 HydrophobicContact CD2-CG 4.02Å; Y55-M64 HydrophobicContact CD2-SD 4.11Å; Y55-M64 HydrophobicContact CE1-CG 4.28Å; Y55-M64 HydrophobicContact CE2-CG 4.16Å; Y55-M64 HydrophobicContact CG-CE 4.12Å; Y55-M64 HydrophobicContact CG-CG 4Å; Y55-M64 HydrophobicContact CG-SD 4.37Å; Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.38Å; Y55-D67 PolarHBondContact OH-OD2 3.08Å; Y55-L68 VanDerWaalsContact OH-CD2 3.25Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.35Å
56D98.4Very high97.3Very high73 Ų7364.6 Ų64.639%0.3935%0.345SS..  trans-73.9147.2167.3-172.8-78.5000110.1K58 T59D56-K58 PolarHBondContact O-N 3.34Å; D56-K58 WeakPolarHBondContact OD1-CB 3.33Å; D56-K58 WeakPolarHBondContact OD1-CD 3.4Å; D56-K58 WeakPolarHBondContact OD1-CG 3.38Å; D56-K58 PolarHBondContact OD1-N 3.17Å; D56-T59 WeakPolarHBondContact O-CB 3.37Å; D56-T59 PolarHBondContact O-N 2.96Å; D56-T59 PolarHBondContact O-OG1 3.5Å
57F98.1Very high97.4Very high18 Ų1866.3 Ų66.38%0.07935%0.35CS..THydrogen-bonded Turntrans-60.4-14.9177.1-82.1-94.1000113.9G39 V42 T59 P95 R97G39-F57 WeakPolarHBondContact O-CE2 3.46Å; V42-F57 HydrophobicContact CG2-CD1 3.88Å; V42-F57 HydrophobicContact CG2-CD2 4.03Å; V42-F57 HydrophobicContact CG2-CE1 3.91Å; V42-F57 HydrophobicContact CG2-CE2 4.03Å; V42-F57 HydrophobicContact CG2-CG 3.96Å; V42-F57 HydrophobicContact CG2-CZ 3.98Å; F57-T59 PolarHBondContact O-N 3.49Å; F57-P95 HydrophobicContact CD1-CB 3.99Å; F57-P95 HydrophobicContact CD1-CG 4.35Å; F57-P95 HydrophobicContact CE1-CB 4.23Å; F57-P95 VanDerWaalsContact O-O 3.09Å; F57-R97 HydrophobicContact CD1-CB 3.87Å; F57-R97 HydrophobicContact CD2-CB 4.24Å; F57-R97 HydrophobicContact CE1-CB 4.01Å; F57-R97 HydrophobicContact CE2-CB 4.38Å; F57-R97 HydrophobicContact CE2-CG 4.49Å; F57-R97 HydrophobicContact CG-CB 3.99Å; F57-R97 HydrophobicContact CZ-CB 4.26Å; F57-R97 HydrophobicContact CZ-CG 4.48Å
58K97.8Very high97.6Very high162 Ų16262.1 Ų62.170%0.70432%0.323SS*.THydrogen-bonded Turntrans-70.2-20171.2-66.6167-171.2175.10113D56D56-K58 PolarHBondContact O-N 3.34Å; D56-K58 WeakPolarHBondContact OD1-CB 3.33Å; D56-K58 WeakPolarHBondContact OD1-CD 3.4Å; D56-K58 WeakPolarHBondContact OD1-CG 3.38Å; D56-K58 PolarHBondContact OD1-N 3.17Å
59T98.6Very high97.8Very high30 Ų3062.7 Ų62.718%0.18433%0.325CS..SBendtrans-73.4130.8-177.6-450000110.4Y55 D56 F57 Q63 M64 P95Y55-T59 HydrophobicContact CD1-CG2 4.21Å; D56-T59 WeakPolarHBondContact O-CB 3.37Å; D56-T59 PolarHBondContact O-N 2.96Å; D56-T59 PolarHBondContact O-OG1 3.5Å; F57-T59 PolarHBondContact O-N 3.49Å; T59-Q63 HydrophobicContact CG2-CB 3.79Å; T59-M64 HydrophobicContact CG2-CE 4.03Å; T59-M64 HydrophobicContact CG2-CG 3.89Å; T59-M64 WeakPolarHBondContact O-CE 3.25Å; T59-P95 WeakPolarHBondContact O-CD 3.29Å
60T98.8Very high98.2Very high38 Ų3866.5 Ų66.523%0.23332%0.322CS..  trans-74.8154.8176.660.90000112.1E62 Q63 M64 A93 K94T60-E62 PolarHBondContact O-N 3.46Å; T60-Q63 PolarHBondContact O-N 3.27Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.35Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.48Å; T60-Q63 PolarHBondContact OG1-N 3.04Å; T60-Q63 VanDerWaalsContact OG1-N 3.11Å; T60-Q63 PolarHBondContact OG1-OE1 3.04Å; T60-M64 WeakPolarHBondContact O-CG 3.33Å; T60-M64 PolarHBondContact O-N 3.46Å; T60-A93 WeakPolarHBondContact CA-O 3.4Å; T60-A93 VanDerWaalsContact CB-O 3.27Å; T60-A93 WeakPolarHBondContact CB-O 3.45Å; T60-K94 HydrophobicContact CG2-CB 4.38Å
61Y98.8Very high98.3Very high0 Ų066.2 Ų66.20%032%0.315CS..Hα-helixtrans-62.3-30.6174.2-64-69.2000111.9N15 M20 M64 Y65 L85 N88 K92 A93 P95N15-Y61 PolarHBondContact O-OH 3.23Å; M20-Y61 HydrophobicContact CE-CE2 4.31Å; Y61-M64 HydrophobicContact CD1-SD 4.41Å; Y61-M64 PolarHBondContact O-N 2.92Å; Y61-Y65 WeakPolarHBondContact O-CB 3.3Å; Y61-Y65 PolarHBondContact O-N 2.94Å; Y61-L85 HydrophobicContact CD1-CD2 3.84Å; Y61-N88 HydrophobicContact CD1-CB 3.6Å; Y61-N88 HydrophobicContact CD2-CB 3.82Å; Y61-N88 HydrophobicContact CE1-CB 3.69Å; Y61-N88 HydrophobicContact CE2-CB 3.9Å; Y61-N88 HydrophobicContact CG-CB 3.66Å; Y61-K92 VanDerWaalsContact CD2-O 3.25Å; Y61-K92 WeakPolarHBondContact CD2-O 3.24Å; Y61-K92 HydrophobicContact CE2-CG 3.9Å; Y61-A93 PolarHBondContact N-O 3.28Å; Y61-P95 HydrophobicContact CE1-CB 4.14Å; Y61-P95 HydrophobicContact CE1-CG 4.2Å; Y61-P95 VanDerWaalsContact OH-CA 3.32Å; Y61-P95 WeakPolarHBondContact OH-CA 3.39Å
62E98.7Very high98.4Very high117 Ų11763.5 Ų63.555%0.54731%0.307SS..Hα-helixtrans-66.1-42.9173.8-179.4171.5-156.600112.3T60 Y65 N66T60-E62 PolarHBondContact O-N 3.46Å; E62-Y65 PolarHBondContact O-N 2.89Å; E62-N66 WeakPolarHBondContact O-CB 3.4Å; E62-N66 PolarHBondContact O-N 3.19Å; E62-N66 PolarHBondContact O-ND2 3.27Å
63Q98.8Very high98.4Very high107 Ų10766.7 Ų66.750%0.531%0.314SS..Hα-helixtrans-62-44174-76.5164.1-35.400111.5T59 T60 N66 D67T59-Q63 HydrophobicContact CG2-CB 3.79Å; T60-Q63 PolarHBondContact O-N 3.27Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; T60-Q63 WeakPolarHBondContact OG1-CB 3.35Å; T60-Q63 VanDerWaalsContact OG1-CD 3.25Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.48Å; T60-Q63 PolarHBondContact OG1-N 3.04Å; T60-Q63 VanDerWaalsContact OG1-N 3.11Å; T60-Q63 PolarHBondContact OG1-OE1 3.04Å; Q63-N66 PolarHBondContact O-N 3.39Å; Q63-D67 WeakPolarHBondContact O-CB 3.25Å; Q63-D67 PolarHBondContact O-N 3.45Å
64M98.8Very high98.4Very high0 Ų073.1 Ų73.10%034%0.344CS..Hα-helixtrans-60.5-45.6175.1-64176.6-16700111.3Q16 V42 Y55 T59 T60 Y61 N66 D67 L68 L85 P95Q16-M64 PolarHBondContact NE2-SD 3.02Å; V42-M64 HydrophobicContact CB-CE 4.29Å; V42-M64 HydrophobicContact CG1-CE 3.95Å; V42-M64 HydrophobicContact CG1-SD 4.18Å; V42-M64 HydrophobicContact CG2-CE 4.36Å; Y55-M64 HydrophobicContact CD1-CG 4.14Å; Y55-M64 HydrophobicContact CD2-CE 4.33Å; Y55-M64 HydrophobicContact CD2-CG 4.02Å; Y55-M64 HydrophobicContact CD2-SD 4.11Å; Y55-M64 HydrophobicContact CE1-CG 4.28Å; Y55-M64 HydrophobicContact CE2-CG 4.16Å; Y55-M64 HydrophobicContact CG-CE 4.12Å; Y55-M64 HydrophobicContact CG-CG 4Å; Y55-M64 HydrophobicContact CG-SD 4.37Å; T59-M64 HydrophobicContact CG2-CE 4.03Å; T59-M64 HydrophobicContact CG2-CG 3.89Å; T59-M64 WeakPolarHBondContact O-CE 3.25Å; T60-M64 WeakPolarHBondContact O-CG 3.33Å; T60-M64 PolarHBondContact O-N 3.46Å; Y61-M64 HydrophobicContact CD1-SD 4.41Å; Y61-M64 PolarHBondContact O-N 2.92Å; M64-N66 PolarHBondContact O-N 2.93Å; M64-D67 PolarHBondContact O-N 3Å; M64-L68 WeakPolarHBondContact O-CG 3.27Å; M64-L68 PolarHBondContact O-N 3.35Å; M64-L85 HydrophobicContact CB-CD1 4.04Å; M64-L85 HydrophobicContact CB-CD2 4.06Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; M64-P95 HydrophobicContact CE-CG 3.84Å
65Y98.8Very high98.4Very high58 Ų5871.8 Ų71.823%0.22733%0.334CS..Hα-helixtrans-57.4-50.6178.2-178.3-82.1000111.1Y61 E62 D67 L68 V69 L82 L85 D86Y61-Y65 WeakPolarHBondContact O-CB 3.3Å; Y61-Y65 PolarHBondContact O-N 2.94Å; E62-Y65 PolarHBondContact O-N 2.89Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 2.88Å; Y65-L68 PolarHBondContact O-N 3.03Å; Y65-V69 HydrophobicContact CD1-CG2 3.94Å; Y65-V69 HydrophobicContact CE1-CG2 3.59Å; Y65-V69 VanDerWaalsContact O-CG2 3.31Å; Y65-V69 WeakPolarHBondContact O-CG2 3.32Å; Y65-V69 PolarHBondContact O-N 3.24Å; Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 WeakPolarHBondContact CD2-O 3.14Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.39Å; Y65-L82 WeakPolarHBondContact CE2-O 3.33Å; Y65-L82 HydrophobicContact CG-CD2 4.31Å; Y65-L85 HydrophobicContact CD2-CB 4.06Å; Y65-D86 HydrophobicContact CE2-CB 4.32Å
66N98.7Very high98.4Very high69 Ų6970.9 Ų70.937%0.36933%0.331SS..Hα-helixtrans-65.5-36.1-179-71.6-33.5000112.5E62 Q63 M64 R70E62-N66 WeakPolarHBondContact O-CB 3.4Å; E62-N66 PolarHBondContact O-N 3.19Å; E62-N66 PolarHBondContact O-ND2 3.27Å; Q63-N66 PolarHBondContact O-N 3.39Å; M64-N66 PolarHBondContact O-N 2.93Å; N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.16Å; N66-R70 PolarHBondContact O-N 2.92Å; N66-R70 VanDerWaalsContact O-N 3.13Å
67D98.6Very high98.4Very high50 Ų5071.2 Ų71.227%0.26734%0.335SS..Hα-helixtrans-62.9-48.5173.7177.259.1000111.5Y55 Q63 M64 Y65 V69 R70 K71Y55-D67 HydrophobicContact CE1-CB 4.49Å; Y55-D67 WeakPolarHBondContact CE1-OD2 3.38Å; Y55-D67 PolarHBondContact OH-OD2 3.08Å; Q63-D67 WeakPolarHBondContact O-CB 3.25Å; Q63-D67 PolarHBondContact O-N 3.45Å; M64-D67 PolarHBondContact O-N 3Å; Y65-D67 VanDerWaalsContact C-N 3.34Å; Y65-D67 PolarHBondContact O-N 2.88Å; D67-V69 PolarHBondContact O-N 2.7Å; D67-R70 PolarHBondContact O-N 2.88Å; D67-K71 WeakPolarHBondContact O-CG 3.36Å; D67-K71 PolarHBondContact O-N 3.25Å; D67-K71 WeakPolarHBondContact OD1-CE 3.38Å; D67-K71 IonicContact OD1-NZ 3.28Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.3Å; D67-K71 IonicContact OD2-NZ 3.45Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å
68L98.4Very high98.3Very high0 Ų078 Ų780%037%0.367CS..Hα-helixtrans-66.4-38.8179.8-66.2-169.2000112.5L44 N53 Y55 M64 Y65 R70 K71 D72 Y76 I81 L82 L85L44-L68 HydrophobicContact CD1-CD1 4.11Å; N53-L68 HydrophobicContact CB-CD2 4.2Å; Y55-L68 VanDerWaalsContact OH-CD2 3.25Å; Y55-L68 WeakPolarHBondContact OH-CD2 3.35Å; M64-L68 WeakPolarHBondContact O-CG 3.27Å; M64-L68 PolarHBondContact O-N 3.35Å; Y65-L68 PolarHBondContact O-N 3.03Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.18Å; L68-K71 HydrophobicContact CD2-CD 4.26Å; L68-K71 PolarHBondContact O-N 2.91Å; L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 2.78Å; L68-Y76 HydrophobicContact CB-CD2 3.66Å; L68-Y76 HydrophobicContact CB-CE2 4.14Å; L68-Y76 HydrophobicContact CB-CG 3.94Å; L68-Y76 HydrophobicContact CD1-CD1 3.99Å; L68-Y76 HydrophobicContact CD1-CE1 4.33Å; L68-Y76 HydrophobicContact CD1-CG 4.11Å; L68-Y76 HydrophobicContact CD2-CD1 4.35Å; L68-Y76 HydrophobicContact CD2-CD2 4.13Å; L68-Y76 HydrophobicContact CD2-CE1 4Å; L68-Y76 HydrophobicContact CD2-CE2 3.79Å; L68-Y76 HydrophobicContact CD2-CG 4.44Å; L68-Y76 HydrophobicContact CG-CD2 4.3Å; L68-Y76 HydrophobicContact CG-CE2 4.45Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.1Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; L68-L82 HydrophobicContact CB-CD2 3.81Å; L68-L85 HydrophobicContact CD1-CD1 3.74Å
69V98.4Very high98.2Very high45 Ų4572.8 Ų72.827%0.27335%0.347SS..Hα-helixtrans-59.2-40.6172.8168.70000111.5Y65 D67 K73 L82Y65-V69 HydrophobicContact CD1-CG2 3.94Å; Y65-V69 HydrophobicContact CE1-CG2 3.59Å; Y65-V69 VanDerWaalsContact O-CG2 3.31Å; Y65-V69 WeakPolarHBondContact O-CG2 3.32Å; Y65-V69 PolarHBondContact O-N 3.24Å; D67-V69 PolarHBondContact O-N 2.7Å; V69-K73 HydrophobicContact CG1-CB 4.45Å; V69-K73 HydrophobicContact CG1-CD 4.38Å; V69-K73 HydrophobicContact CG1-CG 4.46Å; V69-K73 PolarHBondContact O-N 2.99Å; V69-L82 HydrophobicContact CG2-CD1 3.76Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.47Å
70R98.5Very high98.2Very high216 Ų21672 Ų7282%0.81535%0.346SS*.Hα-helixtrans-70.9-34.2178-73.5172.6-175.1-178.42.3112.7N66 D67 L68N66-R70 VanDerWaalsContact O-CG 3.26Å; N66-R70 WeakPolarHBondContact O-CG 3.16Å; N66-R70 PolarHBondContact O-N 2.92Å; N66-R70 VanDerWaalsContact O-N 3.13Å; D67-R70 PolarHBondContact O-N 2.88Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 3.18Å
71K97.8Very high98.1Very high110 Ų11070.4 Ų70.448%0.47834%0.335SS..Hα-helixtrans-72-56.1179.5-77.6171.2173169.40112N53 D67 L68 Y76N53-K71 PolarHBondContact OD1-NZ 2.87Å; D67-K71 WeakPolarHBondContact O-CG 3.36Å; D67-K71 PolarHBondContact O-N 3.25Å; D67-K71 WeakPolarHBondContact OD1-CE 3.38Å; D67-K71 IonicContact OD1-NZ 3.28Å; D67-K71 VanDerWaalsContact OD2-CE 3.25Å; D67-K71 WeakPolarHBondContact OD2-CE 3.3Å; D67-K71 IonicContact OD2-NZ 3.45Å; D67-K71 PolarHBondContact OD2-NZ 3.34Å; L68-K71 HydrophobicContact CD2-CD 4.26Å; L68-K71 PolarHBondContact O-N 2.91Å; K71-Y76 HydrophobicContact CB-CE2 4.09Å
72D98Very high98.1Very high70 Ų7070.8 Ų70.837%0.37434%0.337SS..Hα-helixtrans-165.487-178.8-168.7-26.9000111.1L68 E74 L75 Y76L68-D72 CarbonylContact O-C 3.54Å; L68-D72 PolarHBondContact O-N 2.78Å; D72-E74 VanDerWaalsContact C-N 3.25Å; D72-E74 PolarHBondContact O-N 2.78Å; D72-E74 PolarHBondContact OD1-N 3.09Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.46Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 3.22Å; D72-L75 WeakPolarHBondContact OD2-CB 3.19Å; D72-Y76 HydrophobicContact CB-CD2 4.23Å; D72-Y76 HydrophobicContact CB-CE2 4.02Å; D72-Y76 WeakPolarHBondContact O-CD2 3.17Å; D72-Y76 PolarHBondContact O-N 3.05Å
73K98.1Very high98.1Very high126 Ų12672.2 Ų72.255%0.54834%0.344SS..Hα-helixtrans-58-37.6-178.7-175.1-179.2177-176.20112.7V69 T77 L82V69-K73 HydrophobicContact CG1-CB 4.45Å; V69-K73 HydrophobicContact CG1-CD 4.38Å; V69-K73 HydrophobicContact CG1-CG 4.46Å; V69-K73 PolarHBondContact O-N 2.99Å; K73-T77 VanDerWaalsContact O-CB 3.26Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.85Å; K73-T77 PolarHBondContact O-OG1 2.92Å; K73-L82 HydrophobicContact CG-CD1 4.24Å
74E98.1Very high98.1Very high146 Ų14667.7 Ų67.768%0.68232%0.323SS*.Hα-helixtrans-69-50.7-175.1-68.3-175179.300110.6D72 Y76 T77 Q78D72-E74 VanDerWaalsContact C-N 3.25Å; D72-E74 PolarHBondContact O-N 2.78Å; D72-E74 PolarHBondContact OD1-N 3.09Å; E74-Y76 PolarHBondContact O-N 2.83Å; E74-T77 PolarHBondContact O-N 3.02Å; E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 3.43Å
75L97.9Very high98.1Very high47 Ų4767.7 Ų67.725%0.24632%0.323CS..Hα-helixtrans-54.6-52.5177175.366.8000111.8P47 D72 T77 Q78 N79P47-L75 HydrophobicContact CB-CD2 4Å; D72-L75 HydrophobicContact CB-CB 3.96Å; D72-L75 HydrophobicContact CB-CD2 4.46Å; D72-L75 WeakPolarHBondContact OD1-CB 3.37Å; D72-L75 PolarHBondContact OD1-N 3.22Å; D72-L75 WeakPolarHBondContact OD2-CB 3.19Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 2.86Å; L75-Q78 PolarHBondContact O-N 3.45Å; L75-N79 PolarHBondContact O-N 3.07Å; L75-N79 PolarHBondContact O-ND2 2.93Å; L75-N79 PolarHBondContact O-OD1 3.15Å
76Y98.3Very high98Very high7 Ų766.4 Ų66.43%0.02732%0.32CS..Hα-helixtrans-76.3-13.8-174.9-60.2-64.6000113.7N53 L68 K71 D72 E74 N79 I81 L82N53-Y76 WeakPolarHBondContact ND2-CE1 3.25Å; N53-Y76 PolarHBondContact ND2-OH 3.12Å; L68-Y76 HydrophobicContact CB-CD2 3.66Å; L68-Y76 HydrophobicContact CB-CE2 4.14Å; L68-Y76 HydrophobicContact CB-CG 3.94Å; L68-Y76 HydrophobicContact CD1-CD1 3.99Å; L68-Y76 HydrophobicContact CD1-CE1 4.33Å; L68-Y76 HydrophobicContact CD1-CG 4.11Å; L68-Y76 HydrophobicContact CD2-CD1 4.35Å; L68-Y76 HydrophobicContact CD2-CD2 4.13Å; L68-Y76 HydrophobicContact CD2-CE1 4Å; L68-Y76 HydrophobicContact CD2-CE2 3.79Å; L68-Y76 HydrophobicContact CD2-CG 4.44Å; L68-Y76 HydrophobicContact CG-CD2 4.3Å; L68-Y76 HydrophobicContact CG-CE2 4.45Å; L68-Y76 HydrophobicContact CG-CG 4.39Å; L68-Y76 VanDerWaalsContact O-CD2 3.28Å; L68-Y76 WeakPolarHBondContact O-CD2 3.1Å; K71-Y76 HydrophobicContact CB-CE2 4.09Å; D72-Y76 HydrophobicContact CB-CD2 4.23Å; D72-Y76 HydrophobicContact CB-CE2 4.02Å; D72-Y76 WeakPolarHBondContact O-CD2 3.17Å; D72-Y76 PolarHBondContact O-N 3.05Å; E74-Y76 PolarHBondContact O-N 2.83Å; Y76-N79 VanDerWaalsContact CA-OD1 3.27Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.38Å; Y76-N79 PolarHBondContact O-OD1 3.35Å; Y76-I81 HydrophobicContact CD1-CB 4.44Å; Y76-I81 HydrophobicContact CD1-CD1 4.08Å; Y76-I81 PolarHBondContact O-N 3.03Å; Y76-L82 WeakPolarHBondContact O-CG 3.27Å; Y76-L82 PolarHBondContact O-N 2.85Å
77T97.6Very high98Very high79 Ų7964.8 Ų64.849%0.48531%0.308SS..Hα-helixtrans-78.3-48.3166.4-58.20000110.2K73 E74 L75 N79 G80K73-T77 VanDerWaalsContact O-CB 3.26Å; K73-T77 WeakPolarHBondContact O-CB 3.36Å; K73-T77 PolarHBondContact O-N 2.85Å; K73-T77 PolarHBondContact O-OG1 2.92Å; E74-T77 PolarHBondContact O-N 3.02Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 2.86Å; T77-N79 PolarHBondContact O-N 3.47Å; T77-G80 PolarHBondContact O-N 2.81Å
78Q97.3Very high98Very high160 Ų16062.4 Ų62.475%0.74830%0.296SS*.Hα-helixtrans-63-39.9-176.5-73.5176.39.100112.9E74 L75 G80E74-Q78 WeakPolarHBondContact O-CG 3.48Å; E74-Q78 PolarHBondContact O-N 3.43Å; L75-Q78 PolarHBondContact O-N 3.45Å; Q78-G80 VanDerWaalsContact C-N 3.25Å; Q78-G80 PolarHBondContact O-N 2.77Å
79N95.6Very high98Very high53 Ų5366 Ų6628%0.28331%0.311SS..THydrogen-bonded Turntrans-82.81.2176.169.219.9000113.8L75 Y76 T77 I81 H145L75-N79 PolarHBondContact O-N 3.07Å; L75-N79 PolarHBondContact O-ND2 2.93Å; L75-N79 PolarHBondContact O-OD1 3.15Å; Y76-N79 VanDerWaalsContact CA-OD1 3.27Å; Y76-N79 WeakPolarHBondContact CA-OD1 3.38Å; Y76-N79 PolarHBondContact O-OD1 3.35Å; T77-N79 PolarHBondContact O-N 3.47Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 2.84Å; N79-I81 WeakPolarHBondContact OD1-CB 3.29Å; N79-I81 VanDerWaalsContact OD1-CG1 3.28Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.32Å; N79-I81 PolarHBondContact OD1-N 2.91Å; N79-I81 VanDerWaalsContact OD1-N 3.09Å; N79-H145 PolarHBondContact O-CE1 3.48Å; N79-H145 VanDerWaalsContact O-CE1 3.26Å
80G97.4Very high98Very high15 Ų1573.1 Ų73.116%0.15533%0.333CS..SBendtrans75.33.6175.400000116.4T77 Q78 L82 H83 M84T77-G80 PolarHBondContact O-N 2.81Å; Q78-G80 VanDerWaalsContact C-N 3.25Å; Q78-G80 PolarHBondContact O-N 2.77Å; G80-L82 PolarHBondContact O-N 3.3Å; G80-H83 WeakPolarHBondContact O-CB 3.28Å; G80-H83 PolarHBondContact O-N 3.26Å; G80-M84 PolarHBondContact O-N 3.03Å
81I98.1Very high98Very high4 Ų465 Ų652%0.02131%0.306CS..Hα-helixtrans-64.1-39.7-179-68.7172.7000111.7L44 P45 L68 Y76 N79 H83 M84 L85L44-I81 HydrophobicContact CD1-CG2 4.17Å; L44-I81 HydrophobicContact CD2-CG2 4.29Å; P45-I81 HydrophobicContact CB-CD1 3.88Å; P45-I81 HydrophobicContact CG-CD1 3.93Å; L68-I81 HydrophobicContact CD1-CG2 3.44Å; L68-I81 VanDerWaalsContact CD1-CG2 3.44Å; Y76-I81 HydrophobicContact CD1-CB 4.44Å; Y76-I81 HydrophobicContact CD1-CD1 4.08Å; Y76-I81 PolarHBondContact O-N 3.03Å; N79-I81 VanDerWaalsContact C-N 3.31Å; N79-I81 PolarHBondContact O-N 2.84Å; N79-I81 WeakPolarHBondContact OD1-CB 3.29Å; N79-I81 VanDerWaalsContact OD1-CG1 3.28Å; N79-I81 WeakPolarHBondContact OD1-CG1 3.32Å; N79-I81 PolarHBondContact OD1-N 2.91Å; N79-I81 VanDerWaalsContact OD1-N 3.09Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.43Å; I81-M84 WeakPolarHBondContact O-CB 3.49Å; I81-M84 PolarHBondContact O-N 3.37Å; I81-L85 HydrophobicContact CG2-CD1 3.98Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CG 3.32Å; I81-L85 PolarHBondContact O-N 3.41Å
82L98.4Very high98Very high7 Ų761.2 Ų61.24%0.03729%0.289CS..Hα-helixtrans-62.9-38.1176.9-68.7-176.6000111.8Y65 L68 V69 K73 Y76 G80 L85 D86Y65-L82 HydrophobicContact CD2-CB 4.3Å; Y65-L82 HydrophobicContact CD2-CD2 3.91Å; Y65-L82 WeakPolarHBondContact CD2-O 3.14Å; Y65-L82 HydrophobicContact CE2-CB 3.81Å; Y65-L82 HydrophobicContact CE2-CD2 4.03Å; Y65-L82 HydrophobicContact CE2-CG 4.39Å; Y65-L82 WeakPolarHBondContact CE2-O 3.33Å; Y65-L82 HydrophobicContact CG-CD2 4.31Å; L68-L82 HydrophobicContact CB-CD2 3.81Å; V69-L82 HydrophobicContact CG2-CD1 3.76Å; V69-L82 HydrophobicContact CG2-CD2 3.84Å; V69-L82 HydrophobicContact CG2-CG 4.47Å; K73-L82 HydrophobicContact CG-CD1 4.24Å; Y76-L82 WeakPolarHBondContact O-CG 3.27Å; Y76-L82 PolarHBondContact O-N 2.85Å; G80-L82 PolarHBondContact O-N 3.3Å; L82-L85 PolarHBondContact O-N 3.49Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 2.8Å
83H98.1Very high98Very high147 Ų14761.2 Ų61.268%0.68130%0.299SS*.Hα-helixtrans-65.4-43.3174.8-179-93.2000111.3G80 I81 L85 D86 R87G80-H83 WeakPolarHBondContact O-CB 3.28Å; G80-H83 PolarHBondContact O-N 3.26Å; I81-H83 VanDerWaalsContact C-N 3.28Å; I81-H83 PolarHBondContact O-N 3.43Å; H83-L85 PolarHBondContact O-N 2.91Å; H83-D86 PolarHBondContact O-N 2.69Å; H83-R87 PolarHBondContact O-N 3.45Å
84M98.4Very high98.1Very high12 Ų1259.7 Ų59.76%0.05929%0.292CS..Hα-helixtrans-59-46175-172.7-163.6-61.400112Q16 N17 G80 I81 D86 R87 N88 H145Q16-M84 HydrophobicContact CB-SD 4.18Å; N17-M84 HydrophobicContact CB-CE 3.83Å; N17-M84 HydrophobicContact CB-SD 3.92Å; G80-M84 PolarHBondContact O-N 3.03Å; I81-M84 WeakPolarHBondContact O-CB 3.49Å; I81-M84 PolarHBondContact O-N 3.37Å; M84-D86 VanDerWaalsContact C-N 3.34Å; M84-D86 PolarHBondContact O-N 2.93Å; M84-R87 VanDerWaalsContact CG-NH2 3.27Å; M84-R87 WeakPolarHBondContact O-CB 3.38Å; M84-R87 PolarHBondContact O-N 3.22Å; M84-N88 PolarHBondContact O-N 3.03Å; M84-N88 PolarHBondContact O-OD1 3.21Å; M84-H145 VanDerWaalsContact CE-CD2 3.44Å; M84-H145 WeakPolarHBondContact CE-CD2 2.9Å; M84-H145 WeakPolarHBondContact CE-NE2 3.42Å
85L98.6Very high98.1Very high0 Ų052.8 Ų52.80%026%0.26CS..Hα-helixtrans-66-36.2178-72.7173.2000112.3L44 Y61 M64 Y65 L68 I81 L82 H83 N88 K89L44-L85 HydrophobicContact CD1-CD1 4.16Å; L44-L85 HydrophobicContact CD1-CD2 4.19Å; Y61-L85 HydrophobicContact CD1-CD2 3.84Å; M64-L85 HydrophobicContact CB-CD1 4.04Å; M64-L85 HydrophobicContact CB-CD2 4.06Å; M64-L85 HydrophobicContact SD-CD2 4.27Å; Y65-L85 HydrophobicContact CD2-CB 4.06Å; L68-L85 HydrophobicContact CD1-CD1 3.74Å; I81-L85 HydrophobicContact CG2-CD1 3.98Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CG 3.32Å; I81-L85 PolarHBondContact O-N 3.41Å; L82-L85 PolarHBondContact O-N 3.49Å; H83-L85 PolarHBondContact O-N 2.91Å; L85-N88 PolarHBondContact O-N 3.26Å; L85-K89 PolarHBondContact O-N 3.13Å
86D98.3Very high98.1Very high32 Ų3253.3 Ų53.317%0.17126%0.261CS..Hα-helixtrans-65.3-39.1174.6-165.582.1000112.1Y65 L82 H83 M84 K89 R90Y65-D86 HydrophobicContact CE2-CB 4.32Å; L82-D86 WeakPolarHBondContact O-CB 3.44Å; L82-D86 PolarHBondContact O-N 2.8Å; H83-D86 PolarHBondContact O-N 2.69Å; M84-D86 VanDerWaalsContact C-N 3.34Å; M84-D86 PolarHBondContact O-N 2.93Å; D86-K89 WeakPolarHBondContact O-CG 3.46Å; D86-K89 WeakPolarHBondContact OD1-CE 3.42Å; D86-K89 IonicContact OD1-NZ 3.46Å; D86-K89 PolarHBondContact OD1-NZ 2.67Å; D86-R90 VanDerWaalsContact O-CG 3.31Å; D86-R90 WeakPolarHBondContact O-CG 3.43Å; D86-R90 IonicContact OD2-CZ 2.68Å; D86-R90 IonicContact OD2-NE 3.93Å; D86-R90 PolarHBondContact OD2-NE 3.42Å; D86-R90 IonicContact OD2-NH2 2.65Å; D86-R90 PolarHBondContact OD2-NH2 3.27Å
87R98.3Very high98.1Very high34 Ų3457 Ų5713%0.12828%0.275CS..Hα-helixtrans-60.5-50169.2-179.9-158.467.2-153.4-0.7110.7Q16 E21 H83 M84 K89 R90 I91Q16-R87 PolarHBondContact O-NH2 3.14Å; E21-R87 WeakPolarHBondContact OE2-CD 3.17Å; E21-R87 IonicContact OE2-CZ 3.24Å; E21-R87 IonicContact OE2-NE 3.69Å; E21-R87 IonicContact OE2-NH1 2.73Å; E21-R87 PolarHBondContact OE2-NH1 3.44Å; H83-R87 PolarHBondContact O-N 3.45Å; M84-R87 VanDerWaalsContact CG-NH2 3.27Å; M84-R87 WeakPolarHBondContact O-CB 3.38Å; M84-R87 PolarHBondContact O-N 3.22Å; R87-K89 PolarHBondContact O-N 3.45Å; R87-R90 WeakPolarHBondContact O-CB 3.35Å; R87-R90 PolarHBondContact O-N 3.1Å; R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 PolarHBondContact O-N 3.42Å
88N98.6Very high98.2Very high0 Ų053.4 Ų53.40%025%0.253CS..Hα-helixtrans-61.4-44.4-174.1-69.9-8.1000112.9Q16 M20 Y61 M84 L85 R90 I91 K92Q16-N88 PolarHBondContact O-ND2 3.43Å; Q16-N88 PolarHBondContact O-OD1 2.9Å; Q16-N88 PolarHBondContact OE1-ND2 3.48Å; M20-N88 VanDerWaalsContact CB-OD1 3.26Å; M20-N88 WeakPolarHBondContact CB-OD1 3.4Å; M20-N88 HydrophobicContact CE-CB 3.94Å; Y61-N88 HydrophobicContact CD1-CB 3.6Å; Y61-N88 HydrophobicContact CD2-CB 3.82Å; Y61-N88 HydrophobicContact CE1-CB 3.69Å; Y61-N88 HydrophobicContact CE2-CB 3.9Å; Y61-N88 HydrophobicContact CG-CB 3.66Å; M84-N88 PolarHBondContact O-N 3.03Å; M84-N88 PolarHBondContact O-OD1 3.21Å; L85-N88 PolarHBondContact O-N 3.26Å; N88-R90 PolarHBondContact O-N 2.93Å; N88-I91 PolarHBondContact O-N 3.1Å; N88-K92 PolarHBondContact O-N 2.98Å; N88-K92 VanDerWaalsContact O-O 3.04Å
89K97.9Very high98.2Very high75 Ų7547.4 Ų47.433%0.32623%0.225SC..Hα-helixtrans-65.6-23.3179.674-177.5-175.7-164.50113.7L85 D86 R87 I91 K92L85-K89 PolarHBondContact O-N 3.13Å; D86-K89 WeakPolarHBondContact O-CG 3.46Å; D86-K89 WeakPolarHBondContact OD1-CE 3.42Å; D86-K89 IonicContact OD1-NZ 3.46Å; D86-K89 PolarHBondContact OD1-NZ 2.67Å; R87-K89 PolarHBondContact O-N 3.45Å; K89-I91 VanDerWaalsContact C-N 3.33Å; K89-K92 WeakPolarHBondContact CA-O 3.34Å
90R98.3Very high98.3Very high195 Ų19551.1 Ų51.174%0.73624%0.244SC*.Hα-helixtrans-76.2-23.6174.3-65.9171.3-167.9-147.34.2112.3D86 R87 N88D86-R90 VanDerWaalsContact O-CG 3.31Å; D86-R90 WeakPolarHBondContact O-CG 3.43Å; D86-R90 IonicContact OD2-CZ 2.68Å; D86-R90 IonicContact OD2-NE 3.93Å; D86-R90 PolarHBondContact OD2-NE 3.42Å; D86-R90 IonicContact OD2-NH2 2.65Å; D86-R90 PolarHBondContact OD2-NH2 3.27Å; R87-R90 WeakPolarHBondContact O-CB 3.35Å; R87-R90 PolarHBondContact O-N 3.1Å; N88-R90 PolarHBondContact O-N 2.93Å
91I98.2Very high98.2Very high45 Ų4551 Ų5123%0.23124%0.241CC..Hα-helixtrans-87.1-51179.7-64.5164.3000109.9M20 H23 N24 R87 N88 K89M20-I91 HydrophobicContact CE-CB 3.76Å; M20-I91 HydrophobicContact CE-CD1 3.88Å; M20-I91 HydrophobicContact CE-CG1 4.43Å; M20-I91 HydrophobicContact CE-CG2 3.75Å; H23-I91 WeakPolarHBondContact CD2-CG2 3.26Å; H23-I91 VanDerWaalsContact NE2-CG2 3.33Å; H23-I91 WeakPolarHBondContact NE2-CG2 3.41Å; N24-I91 HydrophobicContact CB-CD1 3.72Å; R87-I91 HydrophobicContact CG-CD1 4.11Å; R87-I91 PolarHBondContact O-N 3.42Å; N88-I91 PolarHBondContact O-N 3.1Å; K89-I91 VanDerWaalsContact C-N 3.33Å
92K98.4Very high98Very high32 Ų3258.3 Ų58.314%0.13927%0.272CS..  trans-155.5162.7177.369.5-172.2-169.9170.80112N15 M20 S35 Y61 N88 K89 K94 E96N15-K92 PolarHBondContact ND2-NZ 2.97Å; M20-K92 HydrophobicContact CE-CD 4.49Å; M20-K92 HydrophobicContact CE-CG 4.19Å; M20-K92 HydrophobicContact SD-CD 4.43Å; S35-K92 PolarHBondContact O-NZ 3.27Å; S35-K92 PolarHBondContact OG-NZ 3.48Å; Y61-K92 VanDerWaalsContact CD2-O 3.25Å; Y61-K92 WeakPolarHBondContact CD2-O 3.24Å; Y61-K92 HydrophobicContact CE2-CG 3.9Å; N88-K92 PolarHBondContact O-N 2.98Å; N88-K92 VanDerWaalsContact O-O 3.04Å; K89-K92 WeakPolarHBondContact CA-O 3.34Å; K92-K94 VanDerWaalsContact CE-O 3.3Å; K92-K94 WeakPolarHBondContact CE-O 3.36Å; K92-E96 IonicContact NZ-OE2 3.25Å; K92-E96 PolarHBondContact NZ-OE2 3.01Å
93A98.4Very high97.9Very high70 Ų7060.4 Ų60.458%0.57928%0.284SS*.SBendtrans-68.4-38.6-171.200000114.8T60 Y61T60-A93 WeakPolarHBondContact CA-O 3.4Å; T60-A93 VanDerWaalsContact CB-O 3.27Å; T60-A93 WeakPolarHBondContact CB-O 3.45Å; Y61-A93 PolarHBondContact N-O 3.28Å
94K98.7Very high97.8Very high93 Ų9356.5 Ų56.540%0.40427%0.265SS..SBendtrans-149.1155.7-173.964.6-178.9177.4-177.80111.8T60 K92T60-K94 HydrophobicContact CG2-CB 4.38Å; K92-K94 VanDerWaalsContact CE-O 3.3Å; K92-K94 WeakPolarHBondContact CE-O 3.36Å
95P98.8Very high97.8Very high1 Ų156 Ų561%0.00626%0.262CS..  trans-63.5147.116927.1-33000110.6N15 V42 F57 T59 Y61 M64N15-P95 HydrophobicContact CB-CB 3.79Å; V42-P95 HydrophobicContact CG2-CB 4.02Å; V42-P95 HydrophobicContact CG2-CG 3.57Å; F57-P95 HydrophobicContact CD1-CB 3.99Å; F57-P95 HydrophobicContact CD1-CG 4.35Å; F57-P95 HydrophobicContact CE1-CB 4.23Å; F57-P95 VanDerWaalsContact O-O 3.09Å; T59-P95 WeakPolarHBondContact O-CD 3.29Å; Y61-P95 HydrophobicContact CE1-CB 4.14Å; Y61-P95 HydrophobicContact CE1-CG 4.2Å; Y61-P95 VanDerWaalsContact OH-CA 3.32Å; Y61-P95 WeakPolarHBondContact OH-CA 3.39Å; M64-P95 HydrophobicContact CE-CG 3.84Å
96E98.8Very high97.6Very high59 Ų5958.5 Ų58.528%0.27628%0.275SS..  trans-121.5141.1-178.6-60176.2100.400109.7N15 R34 F36 G37 K92N15-E96 PolarHBondContact ND2-N 3.43Å; N15-E96 PolarHBondContact ND2-O 3.31Å; R34-E96 IonicContact CZ-OE1 2.59Å; R34-E96 VanDerWaalsContact NH2-CD 3.26Å; R34-E96 IonicContact NH2-OE1 3.71Å; R34-E96 PolarHBondContact NH2-OE1 2.93Å; R34-E96 IonicContact NH2-OE2 3.4Å; R34-E96 PolarHBondContact NH2-OE2 3.3Å; F36-E96 CarbonylContact C-O 3.54Å; F36-E96 WeakPolarHBondContact CA-O 3.32Å; F36-E96 HydrophobicContact CD1-CB 3.77Å; F36-E96 HydrophobicContact CE1-CB 4.03Å; G37-E96 PolarHBondContact N-O 3.42Å; K92-E96 IonicContact NZ-OE2 3.25Å; K92-E96 PolarHBondContact NZ-OE2 3.01Å
97R98.5Very high97.6Very high84 Ų8457 Ų5732%0.31727%0.267SS..BIsolated β-bridgetrans-94127.9179.9-175.1170.5177-155.3-3.2110G37 G39 F57 Q99 L100G37-R97 CarbonylContact O-C 3.47Å; G37-R97 VanDerWaalsContact O-CA 3.25Å; G37-R97 WeakPolarHBondContact O-CA 3.32Å; G39-R97 PolarHBondContact O-NE 3.41Å; F57-R97 HydrophobicContact CD1-CB 3.87Å; F57-R97 HydrophobicContact CD2-CB 4.24Å; F57-R97 HydrophobicContact CE1-CB 4.01Å; F57-R97 HydrophobicContact CE2-CB 4.38Å; F57-R97 HydrophobicContact CE2-CG 4.49Å; F57-R97 HydrophobicContact CG-CB 3.99Å; F57-R97 HydrophobicContact CZ-CB 4.26Å; F57-R97 HydrophobicContact CZ-CG 4.48Å; R97-Q99 VanDerWaalsContact C-N 3.32Å; R97-Q99 PolarHBondContact O-N 2.97Å; R97-L100 HydrophobicContact CB-CD1 4.19Å; R97-L100 HydrophobicContact CB-CG 4.29Å; R97-L100 PolarHBondContact O-N 2.94Å; R97-L100 VanDerWaalsContact O-N 3.15Å
98F98.6Very high97.6Very high4 Ų455.3 Ų55.32%0.01826%0.261CS..G310 helixtrans-58.4-44.3-172.7-175.6-98000112.1V11 F36 G37 T38 L100 C101 V108 V119 L123 R126V11-F98 HydrophobicContact CG1-CB 4.26Å; V11-F98 HydrophobicContact CG1-CD2 4.49Å; V11-F98 HydrophobicContact CG1-CG 4.5Å; V11-F98 HydrophobicContact CG2-CD2 3.81Å; V11-F98 HydrophobicContact CG2-CE2 4.12Å; F36-F98 HydrophobicContact CB-CB 3.74Å; F36-F98 HydrophobicContact CB-CD2 3.96Å; F36-F98 HydrophobicContact CB-CG 4.36Å; F36-F98 AromaticContact CD2-CD2 3.82Å; F36-F98 HydrophobicContact CD2-CD2 3.82Å; F36-F98 HydrophobicContact CD2-CE2 4.45Å; F36-F98 HydrophobicContact CG-CB 4.29Å; F36-F98 AromaticContact CG-CD2 3.92Å; F36-F98 HydrophobicContact CG-CD2 3.92Å; G37-F98 PolarHBondContact O-N 3.35Å; T38-F98 HydrophobicContact CG2-CB 4.34Å; F98-L100 PolarHBondContact O-N 3.09Å; F98-C101 WeakPolarHBondContact O-CB 3.21Å; F98-C101 PolarHBondContact O-N 3.33Å; F98-V108 HydrophobicContact CE2-CG1 4.25Å; F98-V108 HydrophobicContact CZ-CG1 4.46Å; F98-V119 HydrophobicContact CD1-CG2 4.12Å; F98-V119 HydrophobicContact CE1-CB 4.41Å; F98-V119 HydrophobicContact CE1-CG1 3.92Å; F98-V119 HydrophobicContact CE1-CG2 4.2Å; F98-V119 HydrophobicContact CG-CG2 4.42Å; F98-V119 HydrophobicContact CZ-CG1 4.02Å; F98-L123 HydrophobicContact CE1-CD2 4.12Å; F98-L123 HydrophobicContact CE1-CG 4.12Å; F98-L123 HydrophobicContact CZ-CD1 4.45Å; F98-L123 HydrophobicContact CZ-CD2 4.15Å; F98-L123 HydrophobicContact CZ-CG 4.35Å; F98-R126 PolarHBondContact O-NH2 3.4Å
99Q98.1Very high97.6Very high34 Ų3455.3 Ų55.316%0.15926%0.261CS..G310 helixtrans-63.6-15.1-177.5-57.895.6-20.100114T38 R97 D122T38-Q99 PolarHBondContact O-NE2 3.04Å; R97-Q99 VanDerWaalsContact C-N 3.32Å; R97-Q99 PolarHBondContact O-N 2.97Å; Q99-D122 WeakPolarHBondContact CA-OD2 3.42Å; Q99-D122 VanDerWaalsContact CB-OD1 3.32Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.28Å; Q99-D122 HydrophobicContact CG-CB 3.83Å; Q99-D122 VanDerWaalsContact CG-CG 3.44Å; Q99-D122 VanDerWaalsContact CG-OD1 3.29Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.31Å
100L97.2Very high97.7Very high130 Ų13051.8 Ų51.868%0.68125%0.246SC*.G310 helixtrans-97-9.8176.8-58.1-178.2000112.9R97 F98R97-L100 HydrophobicContact CB-CD1 4.19Å; R97-L100 HydrophobicContact CB-CG 4.29Å; R97-L100 PolarHBondContact O-N 2.94Å; R97-L100 VanDerWaalsContact O-N 3.15Å; F98-L100 PolarHBondContact O-N 3.09Å
101C95.6Very high97.7Very high13 Ų1342.5 Ų42.59%0.08821%0.211CC..  trans-87.1135.5-178.8-169.80000111F36 F98 R126F36-C101 HydrophobicContact CD1-CB 4.3Å; F36-C101 HydrophobicContact CE1-CB 3.7Å; F36-C101 HydrophobicContact CZ-CB 4.07Å; F36-C101 VanDerWaalsContact CZ-SG 3.55Å; F98-C101 WeakPolarHBondContact O-CB 3.21Å; F98-C101 PolarHBondContact O-N 3.33Å; C101-R126 PolarHBondContact O-NH1 2.86Å; C101-R126 PolarHBondContact O-NH2 2.86Å; C101-R126 VanDerWaalsContact O-NH2 3.11Å
102K94.3Very high97.6Very high158 Ų15842.7 Ų42.769%0.68721%0.211SC*.  trans-109.45.7177.4-59.6-60-174179.80113.2
103D95.9Very high97.6Very high51 Ų5146.3 Ų46.327%0.27323%0.228SC..  trans-67.8151.7174.2-73.230.4000110.6R7 R34 F105R7-D103 IonicContact CZ-OD2 3.07Å; R7-D103 IonicContact NH1-OD2 2.93Å; R7-D103 IonicContact NH2-OD2 3.76Å; R7-D103 PolarHBondContact NH2-OD2 2.84Å; R34-D103 WeakPolarHBondContact CD-OD2 3.27Å; R34-D103 IonicContact CZ-OD2 3.18Å; R34-D103 IonicContact NE-OD2 2.82Å; R34-D103 IonicContact NH1-OD1 2.67Å; R34-D103 PolarHBondContact NH1-OD1 3.41Å; R34-D103 IonicContact NH1-OD2 2.69Å; R34-D103 PolarHBondContact NH1-OD2 3.29Å; D103-F105 HydrophobicContact CB-CE1 4.44Å; D103-F105 HydrophobicContact CB-CE2 3.83Å; D103-F105 HydrophobicContact CB-CZ 3.63Å
104K96.3Very high97.6Very high64 Ų6451.5 Ų51.528%0.27823%0.233SC..  trans-103.8141.6174.7-57.9-174.3-176.7-174.70110.7R7 T130 Y194R7-K104 WeakPolarHBondContact CD-O 3.25Å; R7-K104 PolarHBondContact NH1-O 3Å; K104-T130 PolarHBondContact NZ-OG1 3.01Å; K104-Y194 HydrophobicContact CB-CD2 3.78Å; K104-Y194 HydrophobicContact CB-CE2 3.57Å; K104-Y194 HydrophobicContact CB-CG 4.37Å; K104-Y194 HydrophobicContact CD-CD2 3.92Å; K104-Y194 HydrophobicContact CD-CG 4.04Å; K104-Y194 HydrophobicContact CG-CD1 4.22Å; K104-Y194 HydrophobicContact CG-CD2 3.75Å; K104-Y194 HydrophobicContact CG-CE1 4.46Å; K104-Y194 HydrophobicContact CG-CE2 3.98Å; K104-Y194 HydrophobicContact CG-CG 3.86Å
105F97.2Very high97.6Very high2 Ų247 Ų471%0.00921%0.213CC..  trans-129.4150.1-178.7-56.8-80.5000108.9R7 A9 R34 F36 D103 V108 V134 Y194R7-F105 HydrophobicContact CG-CD1 3.92Å; R7-F105 HydrophobicContact CG-CE1 4.46Å; A9-F105 HydrophobicContact CB-CB 4.34Å; A9-F105 HydrophobicContact CB-CD1 3.67Å; A9-F105 HydrophobicContact CB-CD2 3.76Å; A9-F105 HydrophobicContact CB-CE1 3.89Å; A9-F105 HydrophobicContact CB-CE2 3.95Å; A9-F105 HydrophobicContact CB-CG 3.63Å; A9-F105 HydrophobicContact CB-CZ 4.03Å; R34-F105 HydrophobicContact CB-CE1 3.81Å; R34-F105 HydrophobicContact CB-CZ 4.05Å; R34-F105 HydrophobicContact CG-CE1 3.99Å; R34-F105 HydrophobicContact CG-CZ 4.37Å; F36-F105 HydrophobicContact CE2-CE1 4.36Å; F36-F105 AromaticContact CE2-CE2 3.95Å; F36-F105 HydrophobicContact CE2-CE2 3.95Å; F36-F105 AromaticContact CE2-CZ 3.56Å; F36-F105 HydrophobicContact CE2-CZ 3.56Å; F36-F105 HydrophobicContact CZ-CE2 4.33Å; F36-F105 AromaticContact CZ-CZ 3.82Å; F36-F105 HydrophobicContact CZ-CZ 3.82Å; D103-F105 HydrophobicContact CB-CE1 4.44Å; D103-F105 HydrophobicContact CB-CE2 3.83Å; D103-F105 HydrophobicContact CB-CZ 3.63Å; F105-V108 HydrophobicContact CB-CG2 4.17Å; F105-V108 HydrophobicContact CD2-CG2 4.49Å; F105-V134 WeakPolarHBondContact O-CB 3.44Å; F105-V134 WeakPolarHBondContact O-CG2 3.44Å; F105-Y194 PolarHBondContact N-OH 3.5Å; F105-Y194 WeakPolarHBondContact O-CE2 3.15Å
106D96Very high97.6Very high52 Ų5247.7 Ų47.728%0.27822%0.216SC..SBendtrans-79-35.3171.9-51.6-48.7000109.4L6 R7 H135 M168L6-D106 HydrophobicContact CD1-CB 3.7Å; R7-D106 WeakPolarHBondContact CB-OD2 3.35Å; R7-D106 PolarHBondContact N-OD2 3.11Å; R7-D106 PolarHBondContact O-N 3.07Å; D106-H135 PolarHBondContact O-N 3.29Å; D106-M168 HydrophobicContact CB-CE 4.4Å
107L97.4Very high97.6Very high0 Ų049 Ų490%022%0.224CC..EExtended strand (participates in β ladder)trans-135.5128.4-176.9-177.863.3000111.8L6 R7 V8 A9 I109 H135 I137 I162L6-L107 HydrophobicContact CD1-CB 4.37Å; L6-L107 HydrophobicContact CD2-CD2 4.03Å; R7-L107 PolarHBondContact O-N 3.22Å; V8-L107 CarbonylContact C-O 3.5Å; V8-L107 WeakPolarHBondContact CA-O 3.42Å; A9-L107 PolarHBondContact N-O 3.01Å; L107-I109 HydrophobicContact CD1-CG1 4.44Å; L107-I109 HydrophobicContact CD2-CD1 3.9Å; L107-I109 HydrophobicContact CD2-CG1 4.11Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.98Å; L107-H135 CarbonylContact C-O 3.47Å; L107-H135 WeakPolarHBondContact CA-O 3.38Å; L107-H135 HydrophobicContact CD1-CB 3.88Å; L107-I137 HydrophobicContact CD1-CD1 3.49Å; L107-I137 VanDerWaalsContact CD1-CD1 3.49Å; L107-I137 HydrophobicContact CD1-CG1 3.85Å; L107-I162 HydrophobicContact CD2-CD1 3.81Å
108V98.6Very high97.6Very high0 Ų047.1 Ų47.10%022%0.219CC..EExtended strand (participates in β ladder)trans-114.3122171.8-178.50000108.7A9 V11 F98 F105 V119 V134 H135 V136 I137A9-V108 HydrophobicContact CB-CG1 4.44Å; A9-V108 HydrophobicContact CB-CG2 4.2Å; A9-V108 CarbonylContact O-C 3.6Å; A9-V108 WeakPolarHBondContact O-CA 3.33Å; V11-V108 HydrophobicContact CG2-CG1 3.76Å; F98-V108 HydrophobicContact CE2-CG1 4.25Å; F98-V108 HydrophobicContact CZ-CG1 4.46Å; F105-V108 HydrophobicContact CB-CG2 4.17Å; F105-V108 HydrophobicContact CD2-CG2 4.49Å; V108-V119 HydrophobicContact CG1-CG1 4Å; V108-V134 HydrophobicContact CG2-CG2 3.62Å; V108-H135 PolarHBondContact N-O 2.83Å; V108-V136 HydrophobicContact CB-CG1 4.4Å; V108-V136 HydrophobicContact CB-CG2 4.36Å; V108-V136 HydrophobicContact CG1-CG1 4.43Å; V108-V136 CarbonylContact O-C 3.55Å; V108-V136 VanDerWaalsContact O-CA 3.3Å; V108-V136 WeakPolarHBondContact O-CA 3.43Å; V108-I137 PolarHBondContact O-N 3.46Å
109I98.7Very high97.6Very high0 Ų047 Ų470%022%0.219CC..EExtended strand (participates in β ladder)trans-109.9124.1179.2-61177.5000109.4V8 A9 V10 V11 L107 I137 V139 I155 C159V8-I109 HydrophobicContact CG1-CD1 4.26Å; A9-I109 PolarHBondContact O-N 3.43Å; V10-I109 CarbonylContact C-O 3.53Å; V10-I109 WeakPolarHBondContact CA-O 3.42Å; V11-I109 PolarHBondContact N-O 3.17Å; L107-I109 HydrophobicContact CD1-CG1 4.44Å; L107-I109 HydrophobicContact CD2-CD1 3.9Å; L107-I109 HydrophobicContact CD2-CG1 4.11Å; L107-I109 HydrophobicContact CG-CD1 4.31Å; L107-I109 HydrophobicContact CG-CG1 3.98Å; I109-I137 CarbonylContact C-O 3.54Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.35Å; I109-V139 HydrophobicContact CG2-CG2 3.9Å; I109-I155 HydrophobicContact CD1-CG2 3.71Å; I109-I155 HydrophobicContact CG2-CD1 3.73Å; I109-I155 HydrophobicContact CG2-CG1 3.91Å; I109-C159 VanDerWaalsContact CD1-SG 3.51Å
110T98.8Very high97.6Very high0 Ų046.6 Ų46.60%022%0.218CC..EExtended strand (participates in β ladder)trans-103.6145176.2610000111.4V11 V115 Y116 V119 V136 I137 N138 V139V11-T110 HydrophobicContact CB-CG2 4.31Å; V11-T110 WeakPolarHBondContact O-CA 3.15Å; T110-V115 HydrophobicContact CG2-CG1 4.04Å; T110-Y116 HydrophobicContact CG2-CD2 4.46Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.33Å; T110-Y116 WeakPolarHBondContact OG1-CD2 3.49Å; T110-V119 HydrophobicContact CG2-CB 4.18Å; T110-V119 HydrophobicContact CG2-CG2 3.81Å; T110-V136 HydrophobicContact CG2-CG1 4.37Å; T110-I137 PolarHBondContact N-O 3.11Å; T110-I137 PolarHBondContact OG1-O 3.45Å; T110-N138 PolarHBondContact O-OD1 3.17Å; T110-N138 VanDerWaalsContact OG1-CA 3.31Å; T110-N138 WeakPolarHBondContact OG1-CA 3.11Å; T110-N138 WeakPolarHBondContact OG1-CB 3.39Å; T110-N138 PolarHBondContact OG1-OD1 3.33Å; T110-V139 PolarHBondContact O-N 2.95Å
111C98.4Very high97.7Very high0 Ų047.2 Ų47.20%022%0.217CC..SBendtrans-94.5-0.1-174.2-55.40000115.1V11 C12 R18 V139 I141V11-C111 PolarHBondContact O-N 3.3Å; V11-C111 PolarHBondContact O-SG 3Å; V11-C111 VanDerWaalsContact O-SG 3.35Å; C12-C111 HydrophobicContact CB-CB 4.02Å; R18-C111 HydrophobicContact CB-CB 3.92Å; R18-C111 PolarHBondContact NH1-O 2.88Å; C111-V139 CarbonylContact C-O 3.53Å; C111-V139 VanDerWaalsContact CA-O 3.23Å; C111-V139 WeakPolarHBondContact CA-O 3.32Å; C111-I141 HydrophobicContact CB-CB 4.47Å; C111-I141 HydrophobicContact CB-CD1 4.34Å; C111-I141 PolarHBondContact O-N 3.45Å
112E97.7Very high97.8Very high50 Ų5047.6 Ų47.623%0.23422%0.218CC..SBendtrans-166.9150.3175.262.5-166.8176.900110.4R18 R114 V115 Y116 N138 D140R18-E112 IonicContact CZ-OE2 3.04Å; R18-E112 VanDerWaalsContact NH1-CD 3.31Å; R18-E112 IonicContact NH1-OE2 3.43Å; R18-E112 PolarHBondContact NH1-OE2 2.98Å; R18-E112 IonicContact NH2-OE1 2.88Å; R18-E112 PolarHBondContact NH2-OE1 3.12Å; R18-E112 IonicContact NH2-OE2 3.22Å; R18-E112 PolarHBondContact NH2-OE2 3.3Å; R18-E112 VanDerWaalsContact NH2-OE2 3.08Å; E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 2.66Å; E112-R114 VanDerWaalsContact O-N 3.17Å; E112-V115 HydrophobicContact CG-CB 3.91Å; E112-V115 HydrophobicContact CG-CG2 3.45Å; E112-V115 VanDerWaalsContact CG-CG2 3.45Å; E112-V115 WeakPolarHBondContact O-CA 3.34Å; E112-V115 WeakPolarHBondContact O-CB 3.22Å; E112-V115 PolarHBondContact O-N 3.39Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.34Å; E112-Y116 PolarHBondContact O-N 3.4Å; E112-N138 WeakPolarHBondContact CA-OD1 3.47Å; E112-N138 PolarHBondContact N-OD1 2.85Å; E112-N138 PolarHBondContact O-OD1 3.23Å; E112-N138 VanDerWaalsContact O-OD1 3.12Å; E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.43Å
113E98.1Very high97.9Very high108 Ų10840.1 Ų40.151%0.50519%0.186SC..Hα-helixtrans-52.1-40.3-178.2-173.6178.8-174.800113.5V115 Y116 D117 N138 D140 L188E113-V115 VanDerWaalsContact C-N 3.27Å; E113-V115 PolarHBondContact O-N 2.85Å; E113-Y116 WeakPolarHBondContact O-CA 3.12Å; E113-Y116 WeakPolarHBondContact O-CB 3.38Å; E113-Y116 PolarHBondContact O-N 2.77Å; E113-Y116 VanDerWaalsContact O-N 3.1Å; E113-D117 PolarHBondContact O-N 3.48Å; E113-N138 PolarHBondContact N-OD1 3.05Å; E113-D140 PolarHBondContact N-OD1 3.45Å; E113-D140 VanDerWaalsContact N-OD1 3.16Å; E113-L188 HydrophobicContact CG-CD1 3.99Å
114R98.3Very high97.9Very high178 Ų17842.4 Ų42.467%0.67220%0.198SC*.Hα-helixtrans-60.9-36.6176.1-178.7-179.2177.8175.46.2113E112 Q118E112-R114 VanDerWaalsContact C-N 3.27Å; E112-R114 PolarHBondContact O-N 2.66Å; E112-R114 VanDerWaalsContact O-N 3.17Å; R114-Q118 VanDerWaalsContact O-CG 3.25Å; R114-Q118 WeakPolarHBondContact O-CG 3.1Å; R114-Q118 PolarHBondContact O-N 3.04Å
115V98.6Very high97.9Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-73.7-36.8177.5173.10000109.8V11 T38 T110 E112 E113 Q118 V119V11-V115 HydrophobicContact CB-CG1 4.05Å; V11-V115 HydrophobicContact CG1-CG1 3.68Å; T38-V115 HydrophobicContact CG2-CG1 3.85Å; T110-V115 HydrophobicContact CG2-CG1 4.04Å; E112-V115 HydrophobicContact CG-CB 3.91Å; E112-V115 HydrophobicContact CG-CG2 3.45Å; E112-V115 VanDerWaalsContact CG-CG2 3.45Å; E112-V115 WeakPolarHBondContact O-CA 3.34Å; E112-V115 WeakPolarHBondContact O-CB 3.22Å; E112-V115 PolarHBondContact O-N 3.39Å; E112-V115 WeakPolarHBondContact OE1-CG2 3.34Å; E113-V115 VanDerWaalsContact C-N 3.27Å; E113-V115 PolarHBondContact O-N 2.85Å; V115-Q118 PolarHBondContact O-N 3.22Å; V115-V119 HydrophobicContact CG1-CG2 4.46Å; V115-V119 WeakPolarHBondContact O-CG2 3.47Å; V115-V119 PolarHBondContact O-N 2.98Å
116Y98.8Very high97.8Very high14 Ų1445.6 Ų45.66%0.05522%0.222CC..Hα-helixtrans-54.1-55.4171.7-176.6-103.1000111.6T110 E112 E113 Q118 V119 L120 V136 N138 L188 H189 T190T110-Y116 HydrophobicContact CG2-CD2 4.46Å; T110-Y116 WeakPolarHBondContact OG1-CB 3.33Å; T110-Y116 WeakPolarHBondContact OG1-CD2 3.49Å; E112-Y116 PolarHBondContact O-N 3.4Å; E113-Y116 WeakPolarHBondContact O-CA 3.12Å; E113-Y116 WeakPolarHBondContact O-CB 3.38Å; E113-Y116 PolarHBondContact O-N 2.77Å; E113-Y116 VanDerWaalsContact O-N 3.1Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.06Å; Y116-V119 WeakPolarHBondContact O-CB 3.46Å; Y116-V119 PolarHBondContact O-N 2.79Å; Y116-L120 HydrophobicContact CD1-CD1 3.82Å; Y116-L120 HydrophobicContact CD1-CG 4.31Å; Y116-L120 HydrophobicContact CE1-CD1 3.3Å; Y116-L120 HydrophobicContact CE1-CG 4.1Å; Y116-L120 HydrophobicContact CE2-CD1 4.44Å; Y116-L120 WeakPolarHBondContact O-CG 3.24Å; Y116-L120 PolarHBondContact O-N 2.83Å; Y116-V136 HydrophobicContact CD2-CG1 3.76Å; Y116-V136 HydrophobicContact CE2-CB 4.14Å; Y116-V136 HydrophobicContact CE2-CG1 3.66Å; Y116-N138 HydrophobicContact CD2-CB 3.7Å; Y116-N138 HydrophobicContact CE2-CB 4.3Å; Y116-N138 HydrophobicContact CG-CB 3.97Å; Y116-L188 HydrophobicContact CD1-CD1 4.06Å; Y116-L188 HydrophobicContact CE1-CB 4.11Å; Y116-L188 HydrophobicContact CE1-CD1 4.19Å; Y116-L188 HydrophobicContact CE2-CB 4.25Å; Y116-H189 VanDerWaalsContact OH-C 3.27Å; Y116-T190 WeakPolarHBondContact OH-CB 3.46Å; Y116-T190 PolarHBondContact OH-N 3.24Å; Y116-T190 PolarHBondContact OH-OG1 2.82Å
117D98.5Very high97.6Very high86 Ų8651 Ų5146%0.4625%0.245SC..Hα-helixtrans-55.4-42.6178.4-67.6-24.8000112.2E113 V119 L120 E121E113-D117 PolarHBondContact O-N 3.48Å; D117-V119 VanDerWaalsContact C-N 3.35Å; D117-V119 PolarHBondContact O-N 3.01Å; D117-L120 PolarHBondContact O-N 3.38Å; D117-E121 WeakPolarHBondContact O-CB 3.48Å; D117-E121 PolarHBondContact O-N 2.66Å
118Q98.6Very high97.3Very high46 Ų4655.2 Ų55.222%0.21527%0.265CS..Hα-helixtrans-69.3-31179.9-72.2178-27.300113.4T38 R114 V115 Y116 D122T38-Q118 HydrophobicContact CG2-CB 3.95Å; T38-Q118 PolarHBondContact OG1-OE1 3.35Å; R114-Q118 VanDerWaalsContact O-CG 3.25Å; R114-Q118 WeakPolarHBondContact O-CG 3.1Å; R114-Q118 PolarHBondContact O-N 3.04Å; V115-Q118 PolarHBondContact O-N 3.22Å; Y116-Q118 VanDerWaalsContact C-N 3.27Å; Y116-Q118 PolarHBondContact O-N 3.06Å; Q118-D122 VanDerWaalsContact O-CB 3.32Å; Q118-D122 WeakPolarHBondContact O-CB 3.23Å; Q118-D122 PolarHBondContact O-N 3.22Å
119V98.6Very high96.8Very high0 Ų062.8 Ų62.80%030%0.3CS..Hα-helixtrans-70.8-45.6172.7165.60000109.7V11 T38 F98 V108 T110 V115 Y116 D117 D122 L123 V136V11-V119 HydrophobicContact CB-CG2 4.29Å; V11-V119 HydrophobicContact CG1-CG2 3.97Å; V11-V119 HydrophobicContact CG2-CG2 4.34Å; T38-V119 HydrophobicContact CG2-CG2 3.85Å; F98-V119 HydrophobicContact CD1-CG2 4.12Å; F98-V119 HydrophobicContact CE1-CB 4.41Å; F98-V119 HydrophobicContact CE1-CG1 3.92Å; F98-V119 HydrophobicContact CE1-CG2 4.2Å; F98-V119 HydrophobicContact CG-CG2 4.42Å; F98-V119 HydrophobicContact CZ-CG1 4.02Å; V108-V119 HydrophobicContact CG1-CG1 4Å; T110-V119 HydrophobicContact CG2-CB 4.18Å; T110-V119 HydrophobicContact CG2-CG2 3.81Å; V115-V119 HydrophobicContact CG1-CG2 4.46Å; V115-V119 WeakPolarHBondContact O-CG2 3.47Å; V115-V119 PolarHBondContact O-N 2.98Å; Y116-V119 WeakPolarHBondContact O-CB 3.46Å; Y116-V119 PolarHBondContact O-N 2.79Å; D117-V119 VanDerWaalsContact C-N 3.35Å; D117-V119 PolarHBondContact O-N 3.01Å; V119-D122 PolarHBondContact O-N 3.28Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 3.35Å; V119-L123 WeakPolarHBondContact O-CG 3.17Å; V119-L123 PolarHBondContact O-N 2.91Å; V119-V136 HydrophobicContact CG1-CG1 3.9Å; V119-V136 HydrophobicContact CG1-CG2 4.44Å
120L98.3Very high96.4Very high26 Ų2666 Ų6614%0.13632%0.321CS..Hα-helixtrans-63.5-46178.8-65.6-172.3000112.2Y116 D117 D122 L123 N124 V136 T190 C192Y116-L120 HydrophobicContact CD1-CD1 3.82Å; Y116-L120 HydrophobicContact CD1-CG 4.31Å; Y116-L120 HydrophobicContact CE1-CD1 3.3Å; Y116-L120 HydrophobicContact CE1-CG 4.1Å; Y116-L120 HydrophobicContact CE2-CD1 4.44Å; Y116-L120 WeakPolarHBondContact O-CG 3.24Å; Y116-L120 PolarHBondContact O-N 2.83Å; D117-L120 PolarHBondContact O-N 3.38Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.96Å; L120-L123 PolarHBondContact O-N 3.33Å; L120-N124 VanDerWaalsContact O-CB 3.27Å; L120-N124 WeakPolarHBondContact O-CB 3.41Å; L120-N124 VanDerWaalsContact O-CG 3.27Å; L120-N124 PolarHBondContact O-N 2.94Å; L120-N124 PolarHBondContact O-ND2 2.91Å; L120-N124 VanDerWaalsContact O-ND2 3.13Å; L120-V136 HydrophobicContact CD2-CB 4.03Å; L120-V136 HydrophobicContact CD2-CG1 4.09Å; L120-V136 HydrophobicContact CD2-CG2 4.04Å; L120-T190 HydrophobicContact CD2-CG2 3.99Å; L120-C192 VanDerWaalsContact CD2-SG 3.55Å
121E98.1Very high96Very high143 Ų14371.3 Ų71.367%0.66835%0.348SS*.Hα-helixtrans-57.4-46.5176.4-175.7-176.7-172.600110.9D117 S125D117-E121 WeakPolarHBondContact O-CB 3.48Å; D117-E121 PolarHBondContact O-N 2.66Å; E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.41Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.99Å
122D98.1Very high95.8Very high21 Ų2175 Ų7511%0.11237%0.366CS..Hα-helixtrans-65-48.1179.5-179.769.3000111.9Q99 Q118 V119 L120 N124 S125 R126Q99-D122 WeakPolarHBondContact CA-OD2 3.42Å; Q99-D122 VanDerWaalsContact CB-OD1 3.32Å; Q99-D122 WeakPolarHBondContact CB-OD1 3.28Å; Q99-D122 HydrophobicContact CG-CB 3.83Å; Q99-D122 VanDerWaalsContact CG-CG 3.44Å; Q99-D122 VanDerWaalsContact CG-OD1 3.29Å; Q99-D122 WeakPolarHBondContact CG-OD1 3.31Å; Q118-D122 VanDerWaalsContact O-CB 3.32Å; Q118-D122 WeakPolarHBondContact O-CB 3.23Å; Q118-D122 PolarHBondContact O-N 3.22Å; V119-D122 PolarHBondContact O-N 3.28Å; L120-D122 VanDerWaalsContact C-N 3.31Å; L120-D122 PolarHBondContact O-N 2.96Å; D122-N124 PolarHBondContact O-N 3.48Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact O-OG 3.32Å; D122-R126 WeakPolarHBondContact O-CG 3.31Å; D122-R126 PolarHBondContact O-N 2.86Å; D122-R126 IonicContact OD1-NE 3.99Å; D122-R126 IonicContact OD1-NH2 2.68Å; D122-R126 IonicContact OD2-CZ 3.9Å; D122-R126 IonicContact OD2-NE 3.34Å; D122-R126 PolarHBondContact OD2-NE 3.01Å; D122-R126 IonicContact OD2-NH2 3.71Å; D122-R126 PolarHBondContact OD2-NH2 3.25Å
123L97.3Very high95.6Very high2 Ų274.5 Ų74.51%0.0137%0.366CS..Hα-helixtrans-62.8-42.9178.9-70.4175.4000112.1F98 V119 L120 S125 R126 V134 V136 C192 Y194F98-L123 HydrophobicContact CE1-CD2 4.12Å; F98-L123 HydrophobicContact CE1-CG 4.12Å; F98-L123 HydrophobicContact CZ-CD1 4.45Å; F98-L123 HydrophobicContact CZ-CD2 4.15Å; F98-L123 HydrophobicContact CZ-CG 4.35Å; V119-L123 HydrophobicContact CG1-CD1 3.82Å; V119-L123 HydrophobicContact CG1-CG 4.37Å; V119-L123 WeakPolarHBondContact O-CB 3.35Å; V119-L123 WeakPolarHBondContact O-CG 3.17Å; V119-L123 PolarHBondContact O-N 2.91Å; L120-L123 PolarHBondContact O-N 3.33Å; L123-S125 VanDerWaalsContact C-N 3.29Å; L123-S125 PolarHBondContact O-N 3.23Å; L123-R126 PolarHBondContact O-N 2.59Å; L123-V134 HydrophobicContact CD1-CG1 4.2Å; L123-V136 HydrophobicContact CD1-CG2 3.94Å; L123-C192 HydrophobicContact CB-CB 4Å; L123-C192 HydrophobicContact CD1-CB 3.78Å; L123-C192 HydrophobicContact CG-CB 4.5Å; L123-Y194 HydrophobicContact CD2-CD1 4.46Å; L123-Y194 HydrophobicContact CD2-CE1 3.92Å
124N96.1Very high95.6Very high98 Ų9869.3 Ų69.352%0.52434%0.342SS..Hα-helixtrans-71.9-22179.7-70.6-32000113.5L120 D122L120-N124 VanDerWaalsContact O-CB 3.27Å; L120-N124 WeakPolarHBondContact O-CB 3.41Å; L120-N124 VanDerWaalsContact O-CG 3.27Å; L120-N124 PolarHBondContact O-N 2.94Å; L120-N124 PolarHBondContact O-ND2 2.91Å; L120-N124 VanDerWaalsContact O-ND2 3.13Å; D122-N124 PolarHBondContact O-N 3.48Å
125S96Very high95.5Very high89 Ų8961.4 Ų61.462%0.62231%0.313SS*.Hα-helixtrans-82.8-14.817673.60000113.9E121 D122 L123E121-S125 VanDerWaalsContact O-CB 3.28Å; E121-S125 WeakPolarHBondContact O-CB 3.41Å; E121-S125 PolarHBondContact O-N 3.34Å; E121-S125 PolarHBondContact O-OG 2.99Å; D122-S125 PolarHBondContact O-N 3.04Å; D122-S125 PolarHBondContact O-OG 3.32Å; L123-S125 VanDerWaalsContact C-N 3.29Å; L123-S125 PolarHBondContact O-N 3.23Å
126R94.6Very high95.5Very high44 Ų4461.4 Ų61.417%0.16631%0.313CS..SBendtrans-76.7146.7175.6-67.5165.1-172.8-141.62109.7F98 C101 D122 L123 Q128F98-R126 PolarHBondContact O-NH2 3.4Å; C101-R126 PolarHBondContact O-NH1 2.86Å; C101-R126 PolarHBondContact O-NH2 2.86Å; C101-R126 VanDerWaalsContact O-NH2 3.11Å; D122-R126 WeakPolarHBondContact O-CG 3.31Å; D122-R126 PolarHBondContact O-N 2.86Å; D122-R126 IonicContact OD1-NE 3.99Å; D122-R126 IonicContact OD1-NH2 2.68Å; D122-R126 IonicContact OD2-CZ 3.9Å; D122-R126 IonicContact OD2-NE 3.34Å; D122-R126 PolarHBondContact OD2-NE 3.01Å; D122-R126 IonicContact OD2-NH2 3.71Å; D122-R126 PolarHBondContact OD2-NH2 3.25Å; L123-R126 PolarHBondContact O-N 2.59Å; R126-Q128 PolarHBondContact O-N 3.07Å
127E91.3Very high95.5Very high166 Ų16660.7 Ų60.778%0.77631%0.31SS*.  trans-66.9130.8168.9-171.9171.5-172.200109.1E129E127-E129 PolarHBondContact O-N 3.17Å
128Q91.4Very high95.5Very high89 Ų8956.8 Ų56.842%0.41629%0.289SS..  trans-83.8100.1-178.6-63.4177.8-0.600109.1R126 L131 F193 Y194R126-Q128 PolarHBondContact O-N 3.07Å; Q128-L131 HydrophobicContact CB-CD2 3.94Å; Q128-F193 HydrophobicContact CG-CB 4.36Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.48Å
129E87.8Confident95.4Very high158 Ų15854.7 Ų54.774%0.73828%0.279SS*.SBendtrans-87.7-34.1-173.8-68.9-179.1-174.500112.3E127 Y194E127-E129 PolarHBondContact O-N 3.17Å; E129-Y194 PolarHBondContact N-OXT 2.56Å
130T91.3Very high95.3Very high69 Ų6958.5 Ų58.542%0.42330%0.3SS..SBendtrans-116-16.8-17152.10000115K104 Q132 Y194K104-T130 PolarHBondContact NZ-OG1 3.01Å; T130-Q132 PolarHBondContact O-N 3.36Å; T130-Q132 VanDerWaalsContact O-N 3.11Å; T130-Y194 CarbonylContact C-O 3.54Å; T130-Y194 WeakPolarHBondContact CA-O 3.33Å; T130-Y194 PolarHBondContact N-O 3.19Å; T130-Y194 PolarHBondContact OG1-O 3.31Å
131L90.8Very high95.3Very high111 Ų11157.6 Ų57.658%0.58130%0.295SS*.  trans55.822.4-173.8-55.3170.8000112.7Q128 Y194Q128-L131 HydrophobicContact CB-CD2 3.94Å; L131-Y194 PolarHBondContact N-O 2.98Å
132Q93.4Very high95.2Very high78 Ų7857 Ų5736%0.36429%0.292SS..  trans-75.1126.5175.1-177.5-179.5-11.200108.3T130 F193 Y194T130-Q132 PolarHBondContact O-N 3.36Å; T130-Q132 VanDerWaalsContact O-N 3.11Å; Q132-F193 WeakPolarHBondContact O-CA 3.49Å; Q132-Y194 PolarHBondContact O-N 3.26Å
133P94.6Very high95.1Very high38 Ų3860.7 Ų60.725%0.24731%0.312CS..EExtended strand (participates in β ladder)trans-68.9150.9179.428.9-34.3000111.4V191 C192 F193P133-V191 HydrophobicContact CB-CG1 3.78Å; P133-C192 CarbonylContact C-O 3.5Å; P133-C192 WeakPolarHBondContact CA-O 3.42Å; P133-F193 HydrophobicContact CB-CD1 4.22Å; P133-F193 HydrophobicContact CB-CE1 3.98Å
134V96.7Very high95Very high0 Ų063.3 Ų63.30%033%0.326CS..EExtended strand (participates in β ladder)trans-136.1128.1166.954.50000109F105 V108 L123 V191 C192 Y194F105-V134 WeakPolarHBondContact O-CB 3.44Å; F105-V134 WeakPolarHBondContact O-CG2 3.44Å; V108-V134 HydrophobicContact CG2-CG2 3.62Å; L123-V134 HydrophobicContact CD1-CG1 4.2Å; V134-V191 WeakPolarHBondContact O-CA 3Å; V134-C192 HydrophobicContact CG1-CB 3.81Å; V134-C192 PolarHBondContact N-O 2.8Å; V134-C192 PolarHBondContact O-N 3.44Å; V134-Y194 HydrophobicContact CB-CD2 4.35Å; V134-Y194 HydrophobicContact CB-CE2 3.63Å; V134-Y194 HydrophobicContact CG1-CD2 4.36Å; V134-Y194 HydrophobicContact CG1-CE1 4.31Å; V134-Y194 HydrophobicContact CG1-CE2 3.87Å; V134-Y194 HydrophobicContact CG2-CE2 4.2Å
135H97.6Very high94.9Very high11 Ų1162.4 Ų62.45%0.05132%0.318CS..EExtended strand (participates in β ladder)trans-81.4128.9176.2-67.7-107.1000109D106 L107 V108 I172 H189D106-H135 PolarHBondContact O-N 3.29Å; L107-H135 CarbonylContact C-O 3.47Å; L107-H135 WeakPolarHBondContact CA-O 3.38Å; L107-H135 HydrophobicContact CD1-CB 3.88Å; V108-H135 PolarHBondContact N-O 2.83Å; H135-I172 HydrophobicContact CB-CD1 4Å; H135-I172 VanDerWaalsContact ND1-CD1 3.32Å; H135-I172 WeakPolarHBondContact ND1-CD1 3.48Å; H135-H189 AromaticContact CG-NE2 3.93Å; H135-H189 AromaticContact ND1-CE1 3.85Å; H135-H189 AromaticContact ND1-NE2 3.09Å; H135-H189 PolarHBondContact ND1-NE2 2.86Å
136V98.4Very high94.9Very high0 Ų065.5 Ų65.50%032%0.323CS..EExtended strand (participates in β ladder)trans-113120.5175.1-169.20000107.9V108 T110 Y116 V119 L120 L123 H189 T190 C192V108-V136 HydrophobicContact CB-CG1 4.4Å; V108-V136 HydrophobicContact CB-CG2 4.36Å; V108-V136 HydrophobicContact CG1-CG1 4.43Å; V108-V136 CarbonylContact O-C 3.55Å; V108-V136 VanDerWaalsContact O-CA 3.3Å; V108-V136 WeakPolarHBondContact O-CA 3.43Å; T110-V136 HydrophobicContact CG2-CG1 4.37Å; Y116-V136 HydrophobicContact CD2-CG1 3.76Å; Y116-V136 HydrophobicContact CE2-CB 4.14Å; Y116-V136 HydrophobicContact CE2-CG1 3.66Å; V119-V136 HydrophobicContact CG1-CG1 3.9Å; V119-V136 HydrophobicContact CG1-CG2 4.44Å; L120-V136 HydrophobicContact CD2-CB 4.03Å; L120-V136 HydrophobicContact CD2-CG1 4.09Å; L120-V136 HydrophobicContact CD2-CG2 4.04Å; L123-V136 HydrophobicContact CD1-CG2 3.94Å; V136-H189 WeakPolarHBondContact O-CA 3.35Å; V136-T190 PolarHBondContact N-O 2.66Å; V136-T190 PolarHBondContact O-N 3.38Å; V136-C192 HydrophobicContact CG2-CB 4.46Å
137I98.3Very high95.1Very high0 Ų065.4 Ų65.40%032%0.324CS..EExtended strand (participates in β ladder)trans-123.5130.2-177.7-56.5176.5000109.6L107 V108 I109 T110 L158 I162 I172 L176 F187 L188 H189L107-I137 HydrophobicContact CD1-CD1 3.49Å; L107-I137 VanDerWaalsContact CD1-CD1 3.49Å; L107-I137 HydrophobicContact CD1-CG1 3.85Å; V108-I137 PolarHBondContact O-N 3.46Å; I109-I137 CarbonylContact C-O 3.54Å; I109-I137 VanDerWaalsContact CA-O 3.28Å; I109-I137 WeakPolarHBondContact CA-O 3.35Å; T110-I137 PolarHBondContact N-O 3.11Å; T110-I137 PolarHBondContact OG1-O 3.45Å; I137-L158 HydrophobicContact CD1-CD2 4.38Å; I137-L158 HydrophobicContact CG2-CD2 4.29Å; I137-I162 HydrophobicContact CD1-CD1 4.2Å; I137-I172 HydrophobicContact CD1-CD1 3.89Å; I137-I172 HydrophobicContact CD1-CG1 4.44Å; I137-L176 HydrophobicContact CD1-CD1 4.18Å; I137-L176 HydrophobicContact CD1-CD2 4.13Å; I137-L176 HydrophobicContact CG1-CD1 4.47Å; I137-L176 HydrophobicContact CG2-CD2 4.13Å; I137-F187 HydrophobicContact CG2-CB 4.32Å; I137-F187 HydrophobicContact CG2-CD1 4.12Å; I137-L188 CarbonylContact C-O 3.11Å; I137-L188 WeakPolarHBondContact CA-O 3.49Å; I137-H189 HydrophobicContact CG1-CB 4.49Å
138N98.4Very high95.4Very high3 Ų357.5 Ų57.52%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-94.9132.7171.9-17160.5000111.7T110 E112 E113 Y116 D140 L188T110-N138 PolarHBondContact O-OD1 3.17Å; T110-N138 VanDerWaalsContact OG1-CA 3.31Å; T110-N138 WeakPolarHBondContact OG1-CA 3.11Å; T110-N138 WeakPolarHBondContact OG1-CB 3.39Å; T110-N138 PolarHBondContact OG1-OD1 3.33Å; E112-N138 WeakPolarHBondContact CA-OD1 3.47Å; E112-N138 PolarHBondContact N-OD1 2.85Å; E112-N138 PolarHBondContact O-OD1 3.23Å; E112-N138 VanDerWaalsContact O-OD1 3.12Å; E113-N138 PolarHBondContact N-OD1 3.05Å; Y116-N138 HydrophobicContact CD2-CB 3.7Å; Y116-N138 HydrophobicContact CE2-CB 4.3Å; Y116-N138 HydrophobicContact CG-CB 3.97Å; N138-D140 PolarHBondContact ND2-OD1 3.46Å; N138-L188 HydrophobicContact CB-CB 3.77Å; N138-L188 HydrophobicContact CB-CD1 4.14Å; N138-L188 HydrophobicContact CB-CG 4.11Å; N138-L188 PolarHBondContact N-O 3.02Å
139V97.1Very high95.7Very high2 Ų255.7 Ų55.71%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-123.2109.3168.3-168.90000107.5I109 T110 C111 I141 L154 I155 F187I109-V139 HydrophobicContact CG2-CG2 3.9Å; T110-V139 PolarHBondContact O-N 2.95Å; C111-V139 CarbonylContact C-O 3.53Å; C111-V139 VanDerWaalsContact CA-O 3.23Å; C111-V139 WeakPolarHBondContact CA-O 3.32Å; V139-I141 HydrophobicContact CB-CD1 4.38Å; V139-I141 HydrophobicContact CB-CG1 4.46Å; V139-I141 HydrophobicContact CG1-CD1 4.26Å; V139-I141 HydrophobicContact CG1-CG1 4.07Å; V139-I141 WeakPolarHBondContact O-CG1 3.48Å; V139-I141 PolarHBondContact O-N 3.4Å; V139-I141 VanDerWaalsContact O-N 3.13Å; V139-L154 HydrophobicContact CG1-CD2 3.88Å; V139-I155 HydrophobicContact CG2-CG1 4.22Å; V139-F187 HydrophobicContact CB-CD1 4.5Å; V139-F187 HydrophobicContact CB-CE1 4.26Å; V139-F187 HydrophobicContact CG1-CE1 3.91Å; V139-F187 HydrophobicContact CG2-CD1 3.78Å; V139-F187 HydrophobicContact CG2-CE1 3.62Å
140D96.7Very high96.1Very high81 Ų8152.8 Ų52.843%0.43327%0.272SS..  trans-68.6114.2178.2-84.8-10.3000110.6E112 E113 N138E112-D140 VanDerWaalsContact CA-OD1 3.3Å; E112-D140 WeakPolarHBondContact CA-OD1 3.43Å; E113-D140 PolarHBondContact N-OD1 3.45Å; E113-D140 VanDerWaalsContact N-OD1 3.16Å; N138-D140 PolarHBondContact ND2-OD1 3.46Å
141I96.9Very high96.4Very high6 Ų649.5 Ų49.53%0.03125%0.251CS..  trans-125.7121.7-179.5-60.2164.4000107.9R18 C111 V139 E147 I155R18-I141 WeakPolarHBondContact CD-O 3.39Å; R18-I141 HydrophobicContact CG-CB 4.4Å; R18-I141 HydrophobicContact CG-CG2 3.83Å; R18-I141 PolarHBondContact NH1-O 2.9Å; C111-I141 HydrophobicContact CB-CB 4.47Å; C111-I141 HydrophobicContact CB-CD1 4.34Å; C111-I141 PolarHBondContact O-N 3.45Å; V139-I141 HydrophobicContact CB-CD1 4.38Å; V139-I141 HydrophobicContact CB-CG1 4.46Å; V139-I141 HydrophobicContact CG1-CD1 4.26Å; V139-I141 HydrophobicContact CG1-CG1 4.07Å; V139-I141 WeakPolarHBondContact O-CG1 3.48Å; V139-I141 PolarHBondContact O-N 3.4Å; V139-I141 VanDerWaalsContact O-N 3.13Å; I141-E147 HydrophobicContact CG2-CB 4.46Å; I141-E147 WeakPolarHBondContact CG2-O 3.49Å; I141-I155 HydrophobicContact CD1-CD1 3.64Å; I141-I155 HydrophobicContact CD1-CG1 4.39Å
142Q96.9Very high96.7Very high130 Ų13044.2 Ų44.261%0.60722%0.224SC*.  trans-64.2143.9176.7-56.9-173.66.800110.9N144 E147Q142-N144 PolarHBondContact O-N 2.89Å; Q142-E147 HydrophobicContact CB-CB 3.95Å; Q142-E147 HydrophobicContact CB-CG 3.96Å; Q142-E147 HydrophobicContact CG-CG 4.34Å
143D95.3Very high96.9Very high100 Ų10045.5 Ų45.554%0.53523%0.229SC..SBendtrans-84.763.2-173.9-151.5-1.2000113N17 R18N17-D143 WeakPolarHBondContact CB-OD1 3.38Å; N17-D143 PolarHBondContact ND2-OD1 3.21Å; R18-D143 IonicContact CZ-OD2 3.19Å; R18-D143 IonicContact NE-OD1 2.88Å; R18-D143 PolarHBondContact NE-OD1 2.83Å; R18-D143 IonicContact NE-OD2 3.84Å; R18-D143 PolarHBondContact NE-OD2 2.72Å; R18-D143 IonicContact NH2-OD2 3.08Å; R18-D143 PolarHBondContact NH2-OD2 3.46Å
144N95.9Very high96.9Very high56 Ų5644.7 Ų44.730%0.29922%0.222SC..SBendtrans-133.8172.2169.870.166000109.9N17 Q142 E146 E147 A148N17-N144 PolarHBondContact ND2-O 3.22Å; Q142-N144 PolarHBondContact O-N 2.89Å; N144-E146 PolarHBondContact OD1-N 2.98Å; N144-E146 VanDerWaalsContact OD1-N 3.09Å; N144-E147 WeakPolarHBondContact ND2-CG 3.5Å; N144-E147 PolarHBondContact OD1-N 3.19Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 2.94Å; N144-A148 VanDerWaalsContact O-N 3.08Å
145H93.9Very high96.9Very high79 Ų7944.7 Ų44.737%0.36622%0.222SC..Hα-helixtrans-71.6-37.4-173-62.2171.8000113.4N79 M84 T149N79-H145 PolarHBondContact O-CE1 3.48Å; N79-H145 VanDerWaalsContact O-CE1 3.26Å; M84-H145 VanDerWaalsContact CE-CD2 3.44Å; M84-H145 WeakPolarHBondContact CE-CD2 2.9Å; M84-H145 WeakPolarHBondContact CE-NE2 3.42Å; H145-T149 PolarHBondContact O-N 3.3Å; H145-T149 PolarHBondContact O-OG1 3.48Å
146E96.6Very high96.9Very high155 Ų15544.4 Ų44.472%0.72422%0.221SC*.Hα-helixtrans-70.2-51.5-176.6-65.1176.8-178.700110.1N144 A148 T149 L150N144-E146 PolarHBondContact OD1-N 2.98Å; N144-E146 VanDerWaalsContact OD1-N 3.09Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.81Å; E146-T149 WeakPolarHBondContact O-CB 3.44Å; E146-T149 PolarHBondContact O-N 3.32Å; E146-T149 VanDerWaalsContact O-N 3.07Å; E146-L150 PolarHBondContact O-N 3.31Å
147E97.4Very high96.7Very high41 Ų4149.3 Ų49.319%0.19224%0.244CC..Hα-helixtrans-65.7-34.7177.2-72-63.713200112I141 Q142 N144 T149 L150 G151 R185I141-E147 HydrophobicContact CG2-CB 4.46Å; I141-E147 WeakPolarHBondContact CG2-O 3.49Å; Q142-E147 HydrophobicContact CB-CB 3.95Å; Q142-E147 HydrophobicContact CB-CG 3.96Å; Q142-E147 HydrophobicContact CG-CG 4.34Å; N144-E147 WeakPolarHBondContact ND2-CG 3.5Å; N144-E147 PolarHBondContact OD1-N 3.19Å; E147-T149 PolarHBondContact O-N 3.13Å; E147-L150 PolarHBondContact O-N 2.97Å; E147-G151 PolarHBondContact O-N 3.3Å; E147-R185 IonicContact OE2-NH2 2.75Å; E147-R185 PolarHBondContact OE2-NH2 3.45Å
148A97.7Very high96.6Very high0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-60.5-36.5172.300000112.2N17 R18 E21 N144 E146 A152N17-A148 WeakPolarHBondContact OD1-CB 3.4Å; R18-A148 HydrophobicContact CG-CB 4.03Å; E21-A148 HydrophobicContact CB-CB 4.4Å; N144-A148 WeakPolarHBondContact O-CB 3.46Å; N144-A148 PolarHBondContact O-N 2.94Å; N144-A148 VanDerWaalsContact O-N 3.08Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.81Å; A148-A152 WeakPolarHBondContact O-CB 3.26Å; A148-A152 PolarHBondContact O-N 3.44Å
149T97.7Very high96.4Very high51 Ų5149.2 Ų49.231%0.31324%0.244SC..Hα-helixtrans-72.3-46.9178.2-55.60000111H145 E146 E147 A152 F153H145-T149 PolarHBondContact O-N 3.3Å; H145-T149 PolarHBondContact O-OG1 3.48Å; E146-T149 WeakPolarHBondContact O-CB 3.44Å; E146-T149 PolarHBondContact O-N 3.32Å; E146-T149 VanDerWaalsContact O-N 3.07Å; E147-T149 PolarHBondContact O-N 3.13Å; T149-A152 PolarHBondContact O-N 2.94Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.37Å; T149-F153 PolarHBondContact O-N 2.95Å; T149-F153 VanDerWaalsContact O-N 3.1Å
150L96.5Very high96.2Very high97 Ų9752.3 Ų52.351%0.50826%0.258SS..Hα-helixtrans-60.7-45.9175.9-67.6175.6000111.5E146 E147 A152 F153 L154E146-L150 PolarHBondContact O-N 3.31Å; E147-L150 PolarHBondContact O-N 2.97Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; L150-F153 PolarHBondContact O-N 3.45Å; L150-L154 PolarHBondContact O-N 3.28Å
151G96.7Very high96Very high0 Ų050.5 Ų50.50%025%0.251CS..Hα-helixtrans-61.4-39.2175.500000112.6E147 F153 L154 I155E147-G151 PolarHBondContact O-N 3.3Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 3.42Å; G151-L154 PolarHBondContact O-N 3.13Å; G151-I155 WeakPolarHBondContact O-CB 3.11Å; G151-I155 VanDerWaalsContact O-CG1 3.24Å; G151-I155 WeakPolarHBondContact O-CG1 3.23Å; G151-I155 PolarHBondContact O-N 3.35Å
152A97.8Very high95.8Very high1 Ų150.4 Ų50.41%0.00825%0.251CS..Hα-helixtrans-64.1-35.9175.700000112.8E21 A22 I25 A148 T149 L150 C156E21-A152 HydrophobicContact CB-CB 4.24Å; E21-A152 HydrophobicContact CG-CB 3.91Å; A22-A152 HydrophobicContact CB-CB 4.11Å; I25-A152 HydrophobicContact CD1-CB 3.57Å; I25-A152 HydrophobicContact CG1-CB 4.23Å; A148-A152 WeakPolarHBondContact O-CB 3.26Å; A148-A152 PolarHBondContact O-N 3.44Å; T149-A152 PolarHBondContact O-N 2.94Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-A152 PolarHBondContact O-N 3.44Å; A152-C156 WeakPolarHBondContact O-CB 3.4Å; A152-C156 PolarHBondContact O-N 2.99Å
153F97Very high95.5Very high105 Ų10547.1 Ų47.146%0.46124%0.235SC..Hα-helixtrans-68.6-44.4172.5-76.1-63.9000112.2I25 T149 L150 G151 I155 C156 E157I25-F153 HydrophobicContact CD1-CD1 3.98Å; I25-F153 HydrophobicContact CD1-CD2 4.27Å; I25-F153 HydrophobicContact CD1-CE1 3.88Å; I25-F153 HydrophobicContact CD1-CE2 4.18Å; I25-F153 HydrophobicContact CD1-CG 4.17Å; I25-F153 HydrophobicContact CD1-CZ 3.98Å; T149-F153 HydrophobicContact CG2-CD2 4.1Å; T149-F153 HydrophobicContact CG2-CE2 3.69Å; T149-F153 WeakPolarHBondContact O-CD2 3.37Å; T149-F153 PolarHBondContact O-N 2.95Å; T149-F153 VanDerWaalsContact O-N 3.1Å; L150-F153 PolarHBondContact O-N 3.45Å; G151-F153 VanDerWaalsContact C-N 3.33Å; G151-F153 PolarHBondContact O-N 3.42Å; F153-I155 PolarHBondContact O-N 3.46Å; F153-C156 WeakPolarHBondContact O-CB 3.25Å; F153-C156 PolarHBondContact O-N 3.27Å; F153-C156 VanDerWaalsContact O-N 3.14Å; F153-E157 PolarHBondContact O-N 3.24Å
154L95.8Very high95.2Very high21 Ų2149.7 Ų49.711%0.1124%0.244CC..Hα-helixtrans-59.8-45.6176.4-17962.5000111.6V139 L150 G151 C156 E157 L158 F179 F187V139-L154 HydrophobicContact CG1-CD2 3.88Å; L150-L154 PolarHBondContact O-N 3.28Å; G151-L154 PolarHBondContact O-N 3.13Å; L154-C156 VanDerWaalsContact C-N 3.31Å; L154-C156 PolarHBondContact O-N 2.98Å; L154-E157 PolarHBondContact O-N 3.29Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 PolarHBondContact O-N 2.73Å; L154-F179 HydrophobicContact CD1-CD1 4.09Å; L154-F179 HydrophobicContact CD1-CE1 4.26Å; L154-F187 HydrophobicContact CD1-CZ 4.45Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CZ 4.09Å; L154-F187 HydrophobicContact CG-CZ 4.4Å
155I97Very high94.9Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-57.9-44.8173.9-74.5175.3000110.8V10 A22 L26 I109 V139 I141 G151 F153 L158 C159V10-I155 HydrophobicContact CG1-CD1 4.17Å; V10-I155 HydrophobicContact CG2-CG2 4.46Å; A22-I155 HydrophobicContact CB-CD1 4.1Å; A22-I155 HydrophobicContact CB-CG2 4.36Å; L26-I155 HydrophobicContact CD1-CG2 3.96Å; I109-I155 HydrophobicContact CD1-CG2 3.71Å; I109-I155 HydrophobicContact CG2-CD1 3.73Å; I109-I155 HydrophobicContact CG2-CG1 3.91Å; V139-I155 HydrophobicContact CG2-CG1 4.22Å; I141-I155 HydrophobicContact CD1-CD1 3.64Å; I141-I155 HydrophobicContact CD1-CG1 4.39Å; G151-I155 WeakPolarHBondContact O-CB 3.11Å; G151-I155 VanDerWaalsContact O-CG1 3.24Å; G151-I155 WeakPolarHBondContact O-CG1 3.23Å; G151-I155 PolarHBondContact O-N 3.35Å; F153-I155 PolarHBondContact O-N 3.46Å; I155-L158 PolarHBondContact O-N 2.59Å; I155-C159 WeakPolarHBondContact O-CB 3.37Å; I155-C159 PolarHBondContact O-N 3.03Å; I155-C159 PolarHBondContact O-SG 3.12Å
156C96.8Very high94.4Very high4 Ų452.2 Ų52.23%0.02726%0.261CS..Hα-helixtrans-63.5-41.9178.8-176.60000112.3I25 L26 A152 F153 L154 C159 Q160I25-C156 HydrophobicContact CG2-CB 3.84Å; L26-C156 HydrophobicContact CD2-CB 4.18Å; A152-C156 WeakPolarHBondContact O-CB 3.4Å; A152-C156 PolarHBondContact O-N 2.99Å; F153-C156 WeakPolarHBondContact O-CB 3.25Å; F153-C156 PolarHBondContact O-N 3.27Å; F153-C156 VanDerWaalsContact O-N 3.14Å; L154-C156 VanDerWaalsContact C-N 3.31Å; L154-C156 PolarHBondContact O-N 2.98Å; C156-C159 PolarHBondContact O-N 2.87Å; C156-Q160 WeakPolarHBondContact O-CB 3.25Å; C156-Q160 VanDerWaalsContact O-CG 3.24Å; C156-Q160 WeakPolarHBondContact O-CG 3.35Å; C156-Q160 PolarHBondContact O-N 3.25Å
157E95.2Very high93.9Very high104 Ų10448 Ų4849%0.48624%0.243SC..Hα-helixtrans-64.4-45.1177.4-166.2180178.900110.8F153 L154 C159 Q160 C161 F179F153-E157 PolarHBondContact O-N 3.24Å; L154-E157 PolarHBondContact O-N 3.29Å; E157-C159 PolarHBondContact O-N 3.17Å; E157-Q160 WeakPolarHBondContact O-CB 3.43Å; E157-Q160 PolarHBondContact O-N 3.42Å; E157-C161 PolarHBondContact O-N 2.85Å; E157-C161 PolarHBondContact O-SG 2.82Å; E157-F179 HydrophobicContact CB-CE1 4.21Å; E157-F179 HydrophobicContact CB-CZ 4.4Å; E157-F179 HydrophobicContact CG-CE1 4.03Å; E157-F179 HydrophobicContact CG-CZ 3.93Å
158L94.6Very high93.3Very high1 Ų148 Ų481%0.00524%0.243CC..Hα-helixtrans-58.6-49.5174.8179.863.1000111.7I137 L154 I155 Q160 C161 I162 L176 F179 F187I137-L158 HydrophobicContact CD1-CD2 4.38Å; I137-L158 HydrophobicContact CG2-CD2 4.29Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 PolarHBondContact O-N 2.73Å; I155-L158 PolarHBondContact O-N 2.59Å; L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 PolarHBondContact O-N 2.85Å; L158-C161 PolarHBondContact O-N 3.02Å; L158-I162 HydrophobicContact CD1-CD1 3.94Å; L158-I162 HydrophobicContact CD1-CG1 4.32Å; L158-I162 HydrophobicContact CG-CD1 3.88Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 3.45Å; L158-L176 HydrophobicContact CD1-CD2 3.94Å; L158-L176 HydrophobicContact CD2-CD2 4.3Å; L158-F179 HydrophobicContact CB-CE1 4.19Å; L158-F179 HydrophobicContact CB-CZ 4.41Å; L158-F179 HydrophobicContact CD1-CD1 4.44Å; L158-F179 HydrophobicContact CD1-CD2 4.17Å; L158-F179 HydrophobicContact CD1-CE2 4.29Å; L158-F179 HydrophobicContact CD1-CG 4.24Å; L158-F179 HydrophobicContact CD1-CZ 4.47Å; L158-F187 HydrophobicContact CD2-CE1 4.35Å
159C95.1Very high92.7Very high0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-60.6-36.4176.7-69.60000112.3L6 L26 F31 I109 I155 C156 E157 Q163L6-C159 HydrophobicContact CD2-CB 4.46Å; L26-C159 HydrophobicContact CD2-CB 3.95Å; F31-C159 HydrophobicContact CD1-CB 4.33Å; F31-C159 HydrophobicContact CE1-CB 3.65Å; F31-C159 HydrophobicContact CE2-CB 4.38Å; F31-C159 HydrophobicContact CZ-CB 3.69Å; I109-C159 VanDerWaalsContact CD1-SG 3.51Å; I155-C159 WeakPolarHBondContact O-CB 3.37Å; I155-C159 PolarHBondContact O-N 3.03Å; I155-C159 PolarHBondContact O-SG 3.12Å; C156-C159 PolarHBondContact O-N 2.87Å; E157-C159 PolarHBondContact O-N 3.17Å; C159-Q163 VanDerWaalsContact O-CB 3.3Å; C159-Q163 WeakPolarHBondContact O-CB 3.4Å; C159-Q163 PolarHBondContact O-N 2.9Å
160Q93.6Very high92.2Very high66 Ų6657.3 Ų57.331%0.30829%0.288SS..Hα-helixtrans-65.4-49.2175-76.3172.6-13.900110.7F31 C156 E157 L158 I162 Q163 H164F31-Q160 HydrophobicContact CE2-CG 3.98Å; F31-Q160 HydrophobicContact CZ-CG 3.73Å; C156-Q160 WeakPolarHBondContact O-CB 3.25Å; C156-Q160 VanDerWaalsContact O-CG 3.24Å; C156-Q160 WeakPolarHBondContact O-CG 3.35Å; C156-Q160 PolarHBondContact O-N 3.25Å; E157-Q160 WeakPolarHBondContact O-CB 3.43Å; E157-Q160 PolarHBondContact O-N 3.42Å; L158-Q160 VanDerWaalsContact C-N 3.26Å; L158-Q160 PolarHBondContact O-N 2.85Å; Q160-I162 VanDerWaalsContact C-N 3.34Å; Q160-I162 PolarHBondContact O-N 3.16Å; Q160-Q163 PolarHBondContact O-N 3.1Å; Q160-H164 PolarHBondContact O-N 2.94Å; Q160-H164 PolarHBondContact O-ND1 3.42Å
161C92.3Very high92Very high44 Ų4456 Ų5630%0.29728%0.279SS..Hα-helixtrans-57.7-47177.9-720000111.7E157 L158 Q163 H164 T165 F179E157-C161 PolarHBondContact O-N 2.85Å; E157-C161 PolarHBondContact O-SG 2.82Å; L158-C161 PolarHBondContact O-N 3.02Å; C161-Q163 VanDerWaalsContact C-N 3.34Å; C161-Q163 PolarHBondContact O-N 3.26Å; C161-H164 PolarHBondContact O-N 3.44Å; C161-H164 VanDerWaalsContact O-N 3.16Å; C161-T165 PolarHBondContact O-N 3.09Å; C161-F179 HydrophobicContact CB-CE2 3.76Å; C161-F179 HydrophobicContact CB-CZ 4.07Å; C161-F179 VanDerWaalsContact SG-CE2 3.58Å; C161-F179 VanDerWaalsContact SG-CZ 3.58Å
162I92.4Very high91.8Very high3 Ų356 Ų562%0.01528%0.279CS..Hα-helixtrans-61.9-39.9177.1-66.8168.4000111.7L6 L107 I137 L158 Q160 H164 T165 M168 I172 L175L6-I162 HydrophobicContact CD1-CG2 4.47Å; L6-I162 HydrophobicContact CD2-CG2 4.12Å; L107-I162 HydrophobicContact CD2-CD1 3.81Å; I137-I162 HydrophobicContact CD1-CD1 4.2Å; L158-I162 HydrophobicContact CD1-CD1 3.94Å; L158-I162 HydrophobicContact CD1-CG1 4.32Å; L158-I162 HydrophobicContact CG-CD1 3.88Å; L158-I162 WeakPolarHBondContact O-CG1 3.39Å; L158-I162 PolarHBondContact O-N 3.45Å; Q160-I162 VanDerWaalsContact C-N 3.34Å; Q160-I162 PolarHBondContact O-N 3.16Å; I162-H164 PolarHBondContact O-N 3.05Å; I162-T165 PolarHBondContact O-N 2.81Å; I162-T165 PolarHBondContact O-OG1 2.89Å; I162-M168 HydrophobicContact CG2-CE 3.74Å; I162-M168 HydrophobicContact CG2-CG 3.91Å; I162-M168 HydrophobicContact CG2-SD 4.33Å; I162-I172 HydrophobicContact CD1-CD1 4.36Å; I162-I172 HydrophobicContact CD1-CG1 4.48Å; I162-L175 HydrophobicContact CG1-CD1 4.18Å
163Q90.9Very high91.5Very high62 Ų6260.7 Ų60.729%0.2930%0.304SS..Hα-helixtrans-67-22.8179.6-176173.8-1.900113.3F31 C159 Q160 C161F31-Q163 HydrophobicContact CE1-CB 4.38Å; C159-Q163 VanDerWaalsContact O-CB 3.3Å; C159-Q163 WeakPolarHBondContact O-CB 3.4Å; C159-Q163 PolarHBondContact O-N 2.9Å; Q160-Q163 PolarHBondContact O-N 3.1Å; C161-Q163 VanDerWaalsContact C-N 3.34Å; C161-Q163 PolarHBondContact O-N 3.26Å
164H89.3Confident91.3Very high154 Ų15462.1 Ų62.171%0.71331%0.312SS*.THydrogen-bonded Turntrans-90.4-3.3179-69.786.1000113.6Q160 C161 I162Q160-H164 PolarHBondContact O-N 2.94Å; Q160-H164 PolarHBondContact O-ND1 3.42Å; C161-H164 PolarHBondContact O-N 3.44Å; C161-H164 VanDerWaalsContact O-N 3.16Å; I162-H164 PolarHBondContact O-N 3.05Å
165T88Confident91.2Very high18 Ų1862.4 Ų62.411%0.1131%0.313CS..  trans-74.8147.8172.662.30000111C161 I162 E171 L175C161-T165 PolarHBondContact O-N 3.09Å; I162-T165 PolarHBondContact O-N 2.81Å; I162-T165 PolarHBondContact O-OG1 2.89Å; T165-E171 VanDerWaalsContact CB-OE2 3.23Å; T165-E171 WeakPolarHBondContact CB-OE2 3.2Å; T165-E171 HydrophobicContact CG2-CB 4.02Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.39Å; T165-L175 HydrophobicContact CG2-CD1 3.33Å; T165-L175 HydrophobicContact CG2-CG 4.28Å
166D83.4Confident91Very high170 Ų17062.9 Ų62.991%0.90932%0.316SS*.SBendtrans-80.5-32.9174.1-73.9-38.6000110.3
167D86.2Confident90.9Very high65 Ų6567.3 Ų67.335%0.34834%0.336SS..  trans-133.490.9178.6-167.5-22.6000111.8E169 N170 E171D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 3.33Å; D167-E169 PolarHBondContact OD1-N 3.03Å; D167-N170 HydrophobicContact CB-CB 4.45Å; D167-N170 VanDerWaalsContact CG-ND2 3.32Å; D167-N170 PolarHBondContact O-N 2.63Å; D167-N170 PolarHBondContact OD1-N 2.98Å; D167-N170 PolarHBondContact OD2-ND2 3.43Å; D167-E171 PolarHBondContact N-OE1 3.36Å; D167-E171 VanDerWaalsContact N-OE1 3.08Å; D167-E171 VanDerWaalsContact O-CB 3.27Å; D167-E171 WeakPolarHBondContact O-CB 3.44Å; D167-E171 VanDerWaalsContact O-CG 3.3Å; D167-E171 WeakPolarHBondContact O-CG 3.45Å; D167-E171 PolarHBondContact O-N 3.21Å
168M86.3Confident90.7Very high41 Ų4166.2 Ų66.220%0.20233%0.331CS..Hα-helixtrans-54.7-42.4177.7179.8-159-6300112.4L6 D106 I162 N170 E171 I172L6-M168 HydrophobicContact CD1-CE 3.19Å; D106-M168 HydrophobicContact CB-CE 4.4Å; I162-M168 HydrophobicContact CG2-CE 3.74Å; I162-M168 HydrophobicContact CG2-CG 3.91Å; I162-M168 HydrophobicContact CG2-SD 4.33Å; M168-N170 VanDerWaalsContact C-N 3.26Å; M168-N170 PolarHBondContact O-N 3.09Å; M168-E171 PolarHBondContact O-N 3.32Å; M168-I172 HydrophobicContact CG-CD1 4.33Å; M168-I172 VanDerWaalsContact O-CB 3.25Å; M168-I172 WeakPolarHBondContact O-CB 3.3Å; M168-I172 PolarHBondContact O-N 3.23Å; M168-I172 VanDerWaalsContact O-N 3.08Å
169E84.1Confident90.5Very high125 Ų12566.5 Ų66.558%0.58433%0.332SS*.Hα-helixtrans-65.8-33.4-171.8-67.2-174.6-179.300111.7D167D167-E169 VanDerWaalsContact C-N 3.28Å; D167-E169 PolarHBondContact O-N 3.33Å; D167-E169 PolarHBondContact OD1-N 3.03Å
170N87.6Confident90.4Very high123 Ų12369 Ų6966%0.65834%0.344SS*.Hα-helixtrans-91.6-27.8179.5-72.1-53.2000113.9D167 M168D167-N170 HydrophobicContact CB-CB 4.45Å; D167-N170 VanDerWaalsContact CG-ND2 3.32Å; D167-N170 PolarHBondContact O-N 2.63Å; D167-N170 PolarHBondContact OD1-N 2.98Å; D167-N170 PolarHBondContact OD2-ND2 3.43Å; M168-N170 VanDerWaalsContact C-N 3.26Å; M168-N170 PolarHBondContact O-N 3.09Å
171E91.3Very high90.3Very high68 Ų6871.6 Ų71.632%0.31836%0.36SS..Hα-helixtrans-97-14.7-172.5-64.8175.6-132.700113.8T165 D167 M168 D173 E174 L175T165-E171 VanDerWaalsContact CB-OE2 3.23Å; T165-E171 WeakPolarHBondContact CB-OE2 3.2Å; T165-E171 HydrophobicContact CG2-CB 4.02Å; T165-E171 WeakPolarHBondContact CG2-OE2 3.39Å; D167-E171 PolarHBondContact N-OE1 3.36Å; D167-E171 VanDerWaalsContact N-OE1 3.08Å; D167-E171 VanDerWaalsContact O-CB 3.27Å; D167-E171 WeakPolarHBondContact O-CB 3.44Å; D167-E171 VanDerWaalsContact O-CG 3.3Å; D167-E171 WeakPolarHBondContact O-CG 3.45Å; D167-E171 PolarHBondContact O-N 3.21Å; M168-E171 PolarHBondContact O-N 3.32Å; E171-D173 PolarHBondContact O-N 3.15Å; E171-E174 PolarHBondContact O-N 3.4Å; E171-L175 WeakPolarHBondContact O-CG 3.27Å; E171-L175 PolarHBondContact O-N 3.06Å
172I92.6Very high90.1Very high1 Ų176.5 Ų76.51%0.00538%0.376CS..Hα-helixtrans-63.2-37.9-171.8-160.5167.5000113.4H135 I137 I162 M168 L175 L176H135-I172 HydrophobicContact CB-CD1 4Å; H135-I172 VanDerWaalsContact ND1-CD1 3.32Å; H135-I172 WeakPolarHBondContact ND1-CD1 3.48Å; I137-I172 HydrophobicContact CD1-CD1 3.89Å; I137-I172 HydrophobicContact CD1-CG1 4.44Å; I162-I172 HydrophobicContact CD1-CD1 4.36Å; I162-I172 HydrophobicContact CD1-CG1 4.48Å; M168-I172 HydrophobicContact CG-CD1 4.33Å; M168-I172 VanDerWaalsContact O-CB 3.25Å; M168-I172 WeakPolarHBondContact O-CB 3.3Å; M168-I172 PolarHBondContact O-N 3.23Å; M168-I172 VanDerWaalsContact O-N 3.08Å; I172-L175 PolarHBondContact O-N 3.28Å; I172-L176 HydrophobicContact CG1-CD1 4.26Å; I172-L176 HydrophobicContact CG1-CG 4.39Å; I172-L176 WeakPolarHBondContact O-CB 3.25Å; I172-L176 VanDerWaalsContact O-CG 3.25Å; I172-L176 WeakPolarHBondContact O-CG 3.26Å; I172-L176 PolarHBondContact O-N 3.26Å
173D92Very high89.8Confident100 Ų10078 Ų7854%0.53539%0.387SS..Hα-helixtrans-68.2-41.5-178.5-67.8-22.6000111.2E171 L176 Q177 H189E171-D173 PolarHBondContact O-N 3.15Å; D173-L176 PolarHBondContact O-N 2.95Å; D173-Q177 PolarHBondContact O-N 3.39Å; D173-H189 IonicContact OD1-CE1 3.49Å; D173-H189 PolarHBondContact OD1-CE1 2.89Å; D173-H189 IonicContact OD1-ND1 3.38Å; D173-H189 PolarHBondContact OD1-ND1 3.08Å
174E92.9Very high89.7Confident134 Ų13482.3 Ų82.363%0.62641%0.412SS*.Hα-helixtrans-66.4-43.8176.3-175.3172.2-173.200111E171 L176 Q177 E178E171-E174 PolarHBondContact O-N 3.4Å; E174-L176 PolarHBondContact O-N 3.24Å; E174-Q177 PolarHBondContact O-N 3.49Å; E174-E178 PolarHBondContact O-N 2.92Å
175L93.1Very high89.5Confident28 Ų2878.6 Ų78.615%0.14739%0.392CS..Hα-helixtrans-59.5-45.3174.5-78.2-179.5000112.3I162 T165 E171 I172 Q177 E178 F179I162-L175 HydrophobicContact CG1-CD1 4.18Å; T165-L175 HydrophobicContact CG2-CD1 3.33Å; T165-L175 HydrophobicContact CG2-CG 4.28Å; E171-L175 WeakPolarHBondContact O-CG 3.27Å; E171-L175 PolarHBondContact O-N 3.06Å; I172-L175 PolarHBondContact O-N 3.28Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 2.96Å; L175-E178 PolarHBondContact O-N 2.88Å; L175-F179 WeakPolarHBondContact O-CD2 3.28Å; L175-F179 PolarHBondContact O-N 2.99Å
176L93.9Very high89.7Confident9 Ų982.1 Ų82.15%0.04742%0.415CS..Hα-helixtrans-62.5-43.2178.7-75.9176.7000110.9I137 L158 I172 D173 E174 E178 F179 E180 F187 H189I137-L176 HydrophobicContact CD1-CD1 4.18Å; I137-L176 HydrophobicContact CD1-CD2 4.13Å; I137-L176 HydrophobicContact CG1-CD1 4.47Å; I137-L176 HydrophobicContact CG2-CD2 4.13Å; L158-L176 HydrophobicContact CD1-CD2 3.94Å; L158-L176 HydrophobicContact CD2-CD2 4.3Å; I172-L176 HydrophobicContact CG1-CD1 4.26Å; I172-L176 HydrophobicContact CG1-CG 4.39Å; I172-L176 WeakPolarHBondContact O-CB 3.25Å; I172-L176 VanDerWaalsContact O-CG 3.25Å; I172-L176 WeakPolarHBondContact O-CG 3.26Å; I172-L176 PolarHBondContact O-N 3.26Å; D173-L176 PolarHBondContact O-N 2.95Å; E174-L176 PolarHBondContact O-N 3.24Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 2.75Å; L176-F179 CarbonylContact O-C 3.48Å; L176-F179 PolarHBondContact O-N 2.92Å; L176-F179 VanDerWaalsContact O-N 3.1Å; L176-E180 WeakPolarHBondContact O-CG 3.39Å; L176-E180 PolarHBondContact O-N 3.18Å; L176-F187 HydrophobicContact CD2-CB 3.95Å; L176-F187 HydrophobicContact CD2-CD1 4.37Å; L176-F187 HydrophobicContact CD2-CG 4.05Å; L176-H189 HydrophobicContact CD1-CB 3.56Å
177Q93.6Very high90.2Very high98 Ų9874.7 Ų74.746%0.45837%0.374SS..Hα-helixtrans-59.4-43.4175.7-168.863.267.600112D173 E174 L175 F179 E180 D181D173-Q177 PolarHBondContact O-N 3.39Å; E174-Q177 PolarHBondContact O-N 3.49Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 2.96Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.07Å; Q177-E180 PolarHBondContact NE2-OE2 2.91Å; Q177-E180 PolarHBondContact O-N 2.87Å; Q177-D181 PolarHBondContact O-N 3.08Å
178E91.9Very high90.7Very high81 Ų8174.6 Ų74.638%0.37937%0.373SS..Hα-helixtrans-62.7-37.8174.9-73.2-165-173.100112.9E174 L175 L176 K182E174-E178 PolarHBondContact O-N 2.92Å; L175-E178 PolarHBondContact O-N 2.88Å; L176-E178 VanDerWaalsContact C-N 3.34Å; L176-E178 PolarHBondContact O-N 2.75Å; E178-K182 WeakPolarHBondContact O-CB 3.23Å; E178-K182 WeakPolarHBondContact O-CD 2.98Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.28Å; E178-K182 PolarHBondContact O-N 3.44Å; E178-K182 IonicContact OE2-NZ 3.98Å; E178-K182 PolarHBondContact OE2-NZ 3.21Å
179F91.1Very high91.3Very high7 Ų774.8 Ų74.83%0.03137%0.374CS..Hα-helixtrans-69.9-37.3176.9-95.8-98.5000111.8L154 E157 L158 C161 L175 L176 Q177 D181 K182 S183 F187L154-F179 HydrophobicContact CD1-CD1 4.09Å; L154-F179 HydrophobicContact CD1-CE1 4.26Å; E157-F179 HydrophobicContact CB-CE1 4.21Å; E157-F179 HydrophobicContact CB-CZ 4.4Å; E157-F179 HydrophobicContact CG-CE1 4.03Å; E157-F179 HydrophobicContact CG-CZ 3.93Å; L158-F179 HydrophobicContact CB-CE1 4.19Å; L158-F179 HydrophobicContact CB-CZ 4.41Å; L158-F179 HydrophobicContact CD1-CD1 4.44Å; L158-F179 HydrophobicContact CD1-CD2 4.17Å; L158-F179 HydrophobicContact CD1-CE2 4.29Å; L158-F179 HydrophobicContact CD1-CG 4.24Å; L158-F179 HydrophobicContact CD1-CZ 4.47Å; C161-F179 HydrophobicContact CB-CE2 3.76Å; C161-F179 HydrophobicContact CB-CZ 4.07Å; C161-F179 VanDerWaalsContact SG-CE2 3.58Å; C161-F179 VanDerWaalsContact SG-CZ 3.58Å; L175-F179 WeakPolarHBondContact O-CD2 3.28Å; L175-F179 PolarHBondContact O-N 2.99Å; L176-F179 CarbonylContact O-C 3.48Å; L176-F179 PolarHBondContact O-N 2.92Å; L176-F179 VanDerWaalsContact O-N 3.1Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.07Å; F179-D181 VanDerWaalsContact C-N 3.34Å; F179-K182 PolarHBondContact O-N 2.91Å; F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.48Å; F179-S183 PolarHBondContact O-N 2.99Å; F179-S183 PolarHBondContact O-OG 2.86Å; F179-F187 HydrophobicContact CB-CD2 4.41Å; F179-F187 HydrophobicContact CB-CE2 3.8Å; F179-F187 HydrophobicContact CB-CZ 4.27Å
180E92.4Very high91.9Very high51 Ų5171.4 Ų71.424%0.23836%0.362CS..Hα-helixtrans-58.3-48.3172.2-71.7-168.1154.200110.6L176 Q177 K182 N184 R185 P186 F187L176-E180 WeakPolarHBondContact O-CG 3.39Å; L176-E180 PolarHBondContact O-N 3.18Å; Q177-E180 PolarHBondContact NE2-OE2 2.91Å; Q177-E180 PolarHBondContact O-N 2.87Å; E180-K182 PolarHBondContact O-N 3.42Å; E180-N184 VanDerWaalsContact O-CA 3.23Å; E180-N184 WeakPolarHBondContact O-CA 3.43Å; E180-N184 PolarHBondContact O-N 3.26Å; E180-R185 WeakPolarHBondContact CA-O 3.33Å; E180-R185 WeakPolarHBondContact CG-O 3.46Å; E180-P186 WeakPolarHBondContact OE1-CA 3.46Å; E180-F187 HydrophobicContact CG-CD2 3.57Å; E180-F187 HydrophobicContact CG-CE2 4.3Å; E180-F187 PolarHBondContact OE1-N 3.05Å
181D91Very high92.3Very high122 Ų12268.2 Ų68.265%0.65235%0.347SS*.Hα-helixtrans-64.4-40.5-179.3-71.4-15.1000112.2Q177 F179Q177-D181 PolarHBondContact O-N 3.08Å; F179-D181 VanDerWaalsContact C-N 3.34Å
182K88.2Confident92.6Very high147 Ų14765 Ų6564%0.63933%0.332SS*.Hα-helixtrans-74.5-40.1-180-72.7167.5-168.8155.80112.8E178 F179 E180E178-K182 WeakPolarHBondContact O-CB 3.23Å; E178-K182 WeakPolarHBondContact O-CD 2.98Å; E178-K182 VanDerWaalsContact O-CG 3.24Å; E178-K182 WeakPolarHBondContact O-CG 3.28Å; E178-K182 PolarHBondContact O-N 3.44Å; E178-K182 IonicContact OE2-NZ 3.98Å; E178-K182 PolarHBondContact OE2-NZ 3.21Å; F179-K182 PolarHBondContact O-N 2.91Å; E180-K182 PolarHBondContact O-N 3.42Å
183S85.8Confident92.8Very high34 Ų3469.1 Ų69.124%0.23835%0.35CS..Hα-helixtrans-94.1-14.3-173.671.10000113.6F179 R185F179-S183 VanDerWaalsContact O-CB 3.23Å; F179-S183 WeakPolarHBondContact O-CB 3.48Å; F179-S183 PolarHBondContact O-N 2.99Å; F179-S183 PolarHBondContact O-OG 2.86Å; S183-R185 PolarHBondContact O-N 2.93Å; S183-R185 PolarHBondContact OG-N 3.21Å
184N88.8Confident92.9Very high152 Ų15265.4 Ų65.481%0.81333%0.328SS*.THydrogen-bonded Turntrans51.839.4-171.6-166.366.4000111.8E180E180-N184 VanDerWaalsContact O-CA 3.23Å; E180-N184 WeakPolarHBondContact O-CA 3.43Å; E180-N184 PolarHBondContact O-N 3.26Å
185R86.5Confident92.9Very high77 Ų7762 Ų6229%0.29131%0.313SS..  trans-130.7132.5177.8-66.7179.1179.2-150.1-3.2108.6E147 E180 S183 F187E147-R185 IonicContact OE2-NH2 2.75Å; E147-R185 PolarHBondContact OE2-NH2 3.45Å; E180-R185 WeakPolarHBondContact CA-O 3.33Å; E180-R185 WeakPolarHBondContact CG-O 3.46Å; S183-R185 PolarHBondContact O-N 2.93Å; S183-R185 PolarHBondContact OG-N 3.21Å; R185-F187 WeakPolarHBondContact O-CD2 3.46Å; R185-F187 WeakPolarHBondContact O-CE2 3.34Å
186P91.2Very high92.8Very high91 Ų9163.7 Ų63.759%0.59132%0.322SS*.  trans-73.1145.4175.530.9-33.9000110.9E180E180-P186 WeakPolarHBondContact OE1-CA 3.46Å
187F94.3Very high92.8Very high14 Ų1466.8 Ų66.86%0.06134%0.337CS..EExtended strand (participates in β ladder)trans-116.3122.3171.3-65.6-89.6000109.1I137 V139 L154 L158 L176 F179 E180 R185I137-F187 HydrophobicContact CG2-CB 4.32Å; I137-F187 HydrophobicContact CG2-CD1 4.12Å; V139-F187 HydrophobicContact CB-CD1 4.5Å; V139-F187 HydrophobicContact CB-CE1 4.26Å; V139-F187 HydrophobicContact CG1-CE1 3.91Å; V139-F187 HydrophobicContact CG2-CD1 3.78Å; V139-F187 HydrophobicContact CG2-CE1 3.62Å; L154-F187 HydrophobicContact CD1-CZ 4.45Å; L154-F187 HydrophobicContact CD2-CE1 4.46Å; L154-F187 HydrophobicContact CD2-CZ 4.09Å; L154-F187 HydrophobicContact CG-CZ 4.4Å; L158-F187 HydrophobicContact CD2-CE1 4.35Å; L176-F187 HydrophobicContact CD2-CB 3.95Å; L176-F187 HydrophobicContact CD2-CD1 4.37Å; L176-F187 HydrophobicContact CD2-CG 4.05Å; F179-F187 HydrophobicContact CB-CD2 4.41Å; F179-F187 HydrophobicContact CB-CE2 3.8Å; F179-F187 HydrophobicContact CB-CZ 4.27Å; E180-F187 HydrophobicContact CG-CD2 3.57Å; E180-F187 HydrophobicContact CG-CE2 4.3Å; E180-F187 PolarHBondContact OE1-N 3.05Å; R185-F187 WeakPolarHBondContact O-CD2 3.46Å; R185-F187 WeakPolarHBondContact O-CE2 3.34Å
188L97.1Very high92.7Very high63 Ų6364.9 Ų64.933%0.3333%0.33SS..EExtended strand (participates in β ladder)trans-81.5139.5168.8-52.5176.6000108.3E113 Y116 I137 N138E113-L188 HydrophobicContact CG-CD1 3.99Å; Y116-L188 HydrophobicContact CD1-CD1 4.06Å; Y116-L188 HydrophobicContact CE1-CB 4.11Å; Y116-L188 HydrophobicContact CE1-CD1 4.19Å; Y116-L188 HydrophobicContact CE2-CB 4.25Å; I137-L188 CarbonylContact C-O 3.11Å; I137-L188 WeakPolarHBondContact CA-O 3.49Å; N138-L188 HydrophobicContact CB-CB 3.77Å; N138-L188 HydrophobicContact CB-CD1 4.14Å; N138-L188 HydrophobicContact CB-CG 4.11Å; N138-L188 PolarHBondContact N-O 3.02Å
189H97.4Very high92.8Very high45 Ų4563.9 Ų63.921%0.20833%0.327CS..EExtended strand (participates in β ladder)trans-139.7140.4177.4168.1-117.5000111.4Y116 H135 V136 I137 D173 L176Y116-H189 VanDerWaalsContact OH-C 3.27Å; H135-H189 AromaticContact CG-NE2 3.93Å; H135-H189 AromaticContact ND1-CE1 3.85Å; H135-H189 AromaticContact ND1-NE2 3.09Å; H135-H189 PolarHBondContact ND1-NE2 2.86Å; V136-H189 WeakPolarHBondContact O-CA 3.35Å; I137-H189 HydrophobicContact CG1-CB 4.49Å; D173-H189 IonicContact OD1-CE1 3.49Å; D173-H189 PolarHBondContact OD1-CE1 2.89Å; D173-H189 IonicContact OD1-ND1 3.38Å; D173-H189 PolarHBondContact OD1-ND1 3.08Å; L176-H189 HydrophobicContact CD1-CB 3.56Å
190T97.3Very high92.9Very high55 Ų5567.7 Ų67.734%0.33735%0.347SS..EExtended strand (participates in β ladder)trans-153.3154175-75.20000109.1Y116 L120 V136Y116-T190 WeakPolarHBondContact OH-CB 3.46Å; Y116-T190 PolarHBondContact OH-N 3.24Å; Y116-T190 PolarHBondContact OH-OG1 2.82Å; L120-T190 HydrophobicContact CD2-CG2 3.99Å; V136-T190 PolarHBondContact N-O 2.66Å; V136-T190 PolarHBondContact O-N 3.38Å
191V96.9Very high92.9Very high55 Ų5568.9 Ų68.933%0.33336%0.355SS..EExtended strand (participates in β ladder)trans-104.1129.5171.6-178.80000109.5P133 V134 F193P133-V191 HydrophobicContact CB-CG1 3.78Å; V134-V191 WeakPolarHBondContact O-CA 3Å; V191-F193 HydrophobicContact CG1-CE1 4.29Å; V191-F193 HydrophobicContact CG1-CE2 4.3Å; V191-F193 HydrophobicContact CG1-CZ 3.96Å
192C96.9Very high93.1Very high1 Ų164.8 Ų64.81%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-111.2172.6168.3-71.80000110L120 L123 P133 V134 V136L120-C192 VanDerWaalsContact CD2-SG 3.55Å; L123-C192 HydrophobicContact CB-CB 4Å; L123-C192 HydrophobicContact CD1-CB 3.78Å; L123-C192 HydrophobicContact CG-CB 4.5Å; P133-C192 CarbonylContact C-O 3.5Å; P133-C192 WeakPolarHBondContact CA-O 3.42Å; V134-C192 HydrophobicContact CG1-CB 3.81Å; V134-C192 PolarHBondContact N-O 2.8Å; V134-C192 PolarHBondContact O-N 3.44Å; V136-C192 HydrophobicContact CG2-CB 4.46Å
193F96.1Very high93.5Very high87 Ų8758 Ų5838%0.38231%0.306SS..EExtended strand (participates in β ladder)trans-131.4138-178.4-60.1-86.6000111Q128 Q132 P133 V191Q128-F193 HydrophobicContact CG-CB 4.36Å; Q132-F193 WeakPolarHBondContact O-CA 3.49Å; P133-F193 HydrophobicContact CB-CD1 4.22Å; P133-F193 HydrophobicContact CB-CE1 3.98Å; V191-F193 HydrophobicContact CG1-CE1 4.29Å; V191-F193 HydrophobicContact CG1-CE2 4.3Å; V191-F193 HydrophobicContact CG1-CZ 3.96Å
194Y93.9Very high94.2Very high22 Ų2260.2 Ų60.29%0.08631%0.313CS..  trans-87.40175.2-67.5-59.7000114.1K104 F105 L123 Q128 E129 T130 L131 Q132 V134K104-Y194 HydrophobicContact CB-CD2 3.78Å; K104-Y194 HydrophobicContact CB-CE2 3.57Å; K104-Y194 HydrophobicContact CB-CG 4.37Å; K104-Y194 HydrophobicContact CD-CD2 3.92Å; K104-Y194 HydrophobicContact CD-CG 4.04Å; K104-Y194 HydrophobicContact CG-CD1 4.22Å; K104-Y194 HydrophobicContact CG-CD2 3.75Å; K104-Y194 HydrophobicContact CG-CE1 4.46Å; K104-Y194 HydrophobicContact CG-CE2 3.98Å; K104-Y194 HydrophobicContact CG-CG 3.86Å; F105-Y194 PolarHBondContact N-OH 3.5Å; F105-Y194 WeakPolarHBondContact O-CE2 3.15Å; L123-Y194 HydrophobicContact CD2-CD1 4.46Å; L123-Y194 HydrophobicContact CD2-CE1 3.92Å; Q128-Y194 WeakPolarHBondContact CA-OXT 3.48Å; E129-Y194 PolarHBondContact N-OXT 2.56Å; T130-Y194 CarbonylContact C-O 3.54Å; T130-Y194 WeakPolarHBondContact CA-O 3.33Å; T130-Y194 PolarHBondContact N-O 3.19Å; T130-Y194 PolarHBondContact OG1-O 3.31Å; L131-Y194 PolarHBondContact N-O 2.98Å; Q132-Y194 PolarHBondContact O-N 3.26Å; V134-Y194 HydrophobicContact CB-CD2 4.35Å; V134-Y194 HydrophobicContact CB-CE2 3.63Å; V134-Y194 HydrophobicContact CG1-CD2 4.36Å; V134-Y194 HydrophobicContact CG1-CE1 4.31Å; V134-Y194 HydrophobicContact CG1-CE2 3.87Å; V134-Y194 HydrophobicContact CG2-CE2 4.2Å

Retrieved 194 of 194 residues in 177.2 ms (Link to these results)

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