A0A3Q0KR47_SCHMA Loading...

ULP_PROTEASE domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KR47, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 204 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
1M28Very low46.7Very low239 Ų23968.1 Ų68.1100%1.17742%0.422SS*.  099.60-75-172.7-83.300107.7G3M1-G3 PolarHBondContact O-N 3.1Å
2A36Very low47.6Very low109 Ų10979.3 Ų79.390%0.90145%0.451SS*.  trans-73.483.4165.500000106.4M4A2-M4 PolarHBondContact O-N 2.9Å
3G40Very low48.6Very low55 Ų5582.6 Ų82.657%0.56746%0.46SS*.  trans-51138.6164.500000107.2M1 V5M1-G3 PolarHBondContact O-N 3.1Å; G3-V5 PolarHBondContact O-N 2.79Å
4M42.6Very low49.2Very low67 Ų6786.3 Ų86.333%0.3347%0.472SS..  trans-55.5100.3-178.2-80.2179.355.800110A2 S6 T162 K163A2-M4 PolarHBondContact O-N 2.9Å; M4-S6 PolarHBondContact O-N 3.18Å; M4-T162 HydrophobicContact CE-CG2 4.29Å; M4-K163 HydrophobicContact CE-CB 4.25Å; M4-K163 VanDerWaalsContact CE-N 3.29Å; M4-K163 HydrophobicContact SD-CB 3.14Å; M4-K163 WeakPolarHBondContact SD-CB 3.47Å; M4-K163 HydrophobicContact SD-CD 4.44Å; M4-K163 HydrophobicContact SD-CG 4.41Å; M4-K163 PolarHBondContact SD-N 3.32Å; M4-K163 VanDerWaalsContact SD-N 3.36Å
5V43.4Very low49.8Very low52 Ų5282.5 Ų82.532%0.31545%0.452SS..  trans-64120.5168.7-174.20000104.9G3 Y7 A9 L10G3-V5 PolarHBondContact O-N 2.79Å; V5-Y7 PolarHBondContact O-N 3.27Å; V5-A9 HydrophobicContact CG1-CB 3.31Å; V5-L10 HydrophobicContact CB-CD2 3.78Å; V5-L10 HydrophobicContact CB-CG 3.88Å; V5-L10 HydrophobicContact CG1-CD2 3.88Å; V5-L10 HydrophobicContact CG1-CG 3.85Å; V5-L10 HydrophobicContact CG2-CD2 4.33Å
6S50.7Low50.2Low70 Ų7079 Ų7949%0.4943%0.431SS..  trans-45.3135.5168.2162.60000107.8M4 T8 A9 L10M4-S6 PolarHBondContact O-N 3.18Å; S6-T8 PolarHBondContact O-N 2.76Å; S6-T8 VanDerWaalsContact O-N 3.13Å; S6-T8 PolarHBondContact OG-N 3.39Å; S6-A9 CarbonylContact O-C 3.53Å; S6-A9 WeakPolarHBondContact O-CA 3.16Å; S6-A9 VanDerWaalsContact O-CB 3.25Å; S6-A9 WeakPolarHBondContact O-CB 3.45Å; S6-A9 PolarHBondContact O-N 3.01Å; S6-L10 PolarHBondContact O-N 3.02Å
7Y53.7Low50.4Low39 Ų3982.5 Ų82.515%0.15344%0.443CS..Hα-helixtrans-57.9-32.5179.9-81.4-78.4000111.5V5 A9 L10 Y11 M79 R127V5-Y7 PolarHBondContact O-N 3.27Å; Y7-A9 PolarHBondContact O-N 3.28Å; Y7-L10 HydrophobicContact CD1-CD1 3.62Å; Y7-L10 HydrophobicContact CE1-CD1 3.77Å; Y7-L10 HydrophobicContact CG-CD1 4.38Å; Y7-L10 PolarHBondContact O-N 3.09Å; Y7-L10 VanDerWaalsContact O-N 3.09Å; Y7-Y11 VanDerWaalsContact O-CD2 3.26Å; Y7-Y11 WeakPolarHBondContact O-CD2 3.24Å; Y7-Y11 PolarHBondContact O-N 3.43Å; Y7-M79 HydrophobicContact CD1-CE 3.83Å; Y7-M79 HydrophobicContact CD1-CG 3.7Å; Y7-M79 HydrophobicContact CD1-SD 3.78Å; Y7-M79 HydrophobicContact CE1-CB 4.03Å; Y7-M79 HydrophobicContact CE1-CE 4.13Å; Y7-M79 HydrophobicContact CE1-CG 3.54Å; Y7-M79 HydrophobicContact CE1-SD 3.46Å; Y7-M79 WeakPolarHBondContact CE1-SD 3.36Å; Y7-M79 HydrophobicContact CE2-CB 4.49Å; Y7-M79 HydrophobicContact CG-CG 4.28Å; Y7-R127 VanDerWaalsContact OH-CD 3.23Å; Y7-R127 WeakPolarHBondContact OH-CD 3.5Å
8T53.6Low50.5Low51 Ų5180.9 Ų80.931%0.31343%0.434SS..Hα-helixtrans-55.2-36.7169.2-450000112S6 R12 N77S6-T8 PolarHBondContact O-N 2.76Å; S6-T8 VanDerWaalsContact O-N 3.13Å; S6-T8 PolarHBondContact OG-N 3.39Å; T8-R12 WeakPolarHBondContact O-CB 3.21Å; T8-R12 VanDerWaalsContact O-CG 3.23Å; T8-R12 WeakPolarHBondContact O-CG 3.44Å; T8-R12 PolarHBondContact O-N 3.27Å; T8-N77 PolarHBondContact N-ND2 3.18Å; T8-N77 PolarHBondContact OG1-ND2 3.4Å
9A55.2Low50.7Low25 Ų2577.3 Ų77.321%0.20742%0.416CS..Hα-helixtrans-75.5-39173.300000112.8V5 S6 Y7 Y11 R12 E13V5-A9 HydrophobicContact CG1-CB 3.31Å; S6-A9 CarbonylContact O-C 3.53Å; S6-A9 WeakPolarHBondContact O-CA 3.16Å; S6-A9 VanDerWaalsContact O-CB 3.25Å; S6-A9 WeakPolarHBondContact O-CB 3.45Å; S6-A9 PolarHBondContact O-N 3.01Å; Y7-A9 PolarHBondContact O-N 3.28Å; A9-Y11 VanDerWaalsContact C-N 3.29Å; A9-Y11 PolarHBondContact O-N 2.81Å; A9-R12 PolarHBondContact O-N 3.45Å; A9-R12 VanDerWaalsContact O-N 3.15Å; A9-E13 WeakPolarHBondContact O-CB 3.25Å; A9-E13 WeakPolarHBondContact O-CG 3.41Å; A9-E13 PolarHBondContact O-N 3.37Å
10L56.3Low51.1Low19 Ų1975.5 Ų75.510%0.09940%0.404CS..Hα-helixtrans-60.2-38.2172.5-70.5174.5000112.4V5 S6 Y7 E14 V15 L18V5-L10 HydrophobicContact CB-CD2 3.78Å; V5-L10 HydrophobicContact CB-CG 3.88Å; V5-L10 HydrophobicContact CG1-CD2 3.88Å; V5-L10 HydrophobicContact CG1-CG 3.85Å; V5-L10 HydrophobicContact CG2-CD2 4.33Å; S6-L10 PolarHBondContact O-N 3.02Å; Y7-L10 HydrophobicContact CD1-CD1 3.62Å; Y7-L10 HydrophobicContact CE1-CD1 3.77Å; Y7-L10 HydrophobicContact CG-CD1 4.38Å; Y7-L10 PolarHBondContact O-N 3.09Å; Y7-L10 VanDerWaalsContact O-N 3.09Å; L10-E14 PolarHBondContact O-N 3.25Å; L10-V15 HydrophobicContact CD2-CB 4.21Å; L10-V15 PolarHBondContact O-N 2.93Å; L10-L18 HydrophobicContact CD2-CD1 4.32Å
11Y53.9Low51.4Low23 Ų2372.5 Ų72.59%0.0939%0.388CS..Hα-helixtrans-69-41.6173-88.7-86.3000112.5Y7 A9 E13 E14 Y16 L21 L68 M79Y7-Y11 VanDerWaalsContact O-CD2 3.26Å; Y7-Y11 WeakPolarHBondContact O-CD2 3.24Å; Y7-Y11 PolarHBondContact O-N 3.43Å; A9-Y11 VanDerWaalsContact C-N 3.29Å; A9-Y11 PolarHBondContact O-N 2.81Å; Y11-E13 VanDerWaalsContact C-N 3.31Å; Y11-E14 PolarHBondContact O-N 2.97Å; Y11-Y16 HydrophobicContact CD1-CD1 4.41Å; Y11-Y16 AromaticContact CD1-CE1 3.82Å; Y11-Y16 HydrophobicContact CD1-CE1 3.82Å; Y11-Y16 HydrophobicContact CE1-CE1 4.3Å; Y11-L21 HydrophobicContact CD1-CD1 4.39Å; Y11-L21 HydrophobicContact CE1-CD1 3.45Å; Y11-L21 VanDerWaalsContact CE1-CD1 3.45Å; Y11-L21 HydrophobicContact CE2-CD1 4.12Å; Y11-L21 WeakPolarHBondContact OH-CD1 3.34Å; Y11-L68 HydrophobicContact CE1-CD2 4.23Å; Y11-L68 VanDerWaalsContact OH-CD1 3.32Å; Y11-L68 WeakPolarHBondContact OH-CD1 3.5Å; Y11-L68 WeakPolarHBondContact OH-CD2 3.35Å; Y11-M79 HydrophobicContact CD2-CE 4.31Å; Y11-M79 HydrophobicContact CE2-CE 3.35Å; Y11-M79 WeakPolarHBondContact OH-CE 3.46Å
12R58.2Low52.8Low203 Ų20364.2 Ų64.277%0.76635%0.351SS*.Hα-helixtrans-66.6-33.2176.1-80176.4-169.7170.52.7112.7T8 A9T8-R12 WeakPolarHBondContact O-CB 3.21Å; T8-R12 VanDerWaalsContact O-CG 3.23Å; T8-R12 WeakPolarHBondContact O-CG 3.44Å; T8-R12 PolarHBondContact O-N 3.27Å; A9-R12 PolarHBondContact O-N 3.45Å; A9-R12 VanDerWaalsContact O-N 3.15Å
13E60.4Low53.8Low122 Ų12266.9 Ų66.957%0.5735%0.345SS*.THydrogen-bonded Turntrans-85.14.1177.3-70.1178.6-172.700112.5A9 Y11 V15A9-E13 WeakPolarHBondContact O-CB 3.25Å; A9-E13 WeakPolarHBondContact O-CG 3.41Å; A9-E13 PolarHBondContact O-N 3.37Å; Y11-E13 VanDerWaalsContact C-N 3.31Å; E13-V15 HydrophobicContact CB-CG2 3.6Å; E13-V15 WeakPolarHBondContact O-CG2 3.46Å; E13-V15 PolarHBondContact O-N 2.91Å; E13-V15 VanDerWaalsContact O-N 3.1Å
14E56.8Low54.9Low134 Ų13469.4 Ų69.463%0.62634%0.34SS*.THydrogen-bonded Turntrans57.126.8178.1-58.6-174.4161.600114L10 Y11 Y16L10-E14 PolarHBondContact O-N 3.25Å; Y11-E14 PolarHBondContact O-N 2.97Å; E14-Y16 VanDerWaalsContact CA-CE2 3.41Å; E14-Y16 HydrophobicContact CB-CD2 4.02Å; E14-Y16 HydrophobicContact CB-CE2 3.46Å; E14-Y16 VanDerWaalsContact CB-CE2 3.46Å; E14-Y16 HydrophobicContact CG-CE2 3.77Å; E14-Y16 WeakPolarHBondContact O-CD2 3.48Å; E14-Y16 PolarHBondContact O-N 2.89Å
15V58.6Low56.2Low30 Ų3066.4 Ų66.418%0.18233%0.325CS..  trans-84.250.4-178.3-161.70000110.6L10 E13 H17 L18L10-V15 HydrophobicContact CD2-CB 4.21Å; L10-V15 PolarHBondContact O-N 2.93Å; E13-V15 HydrophobicContact CB-CG2 3.6Å; E13-V15 WeakPolarHBondContact O-CG2 3.46Å; E13-V15 PolarHBondContact O-N 2.91Å; E13-V15 VanDerWaalsContact O-N 3.1Å; V15-H17 VanDerWaalsContact C-N 3.28Å; V15-H17 WeakPolarHBondContact CG1-CE1 3.46Å; V15-H17 PolarHBondContact O-N 3.27Å; V15-L18 HydrophobicContact CG1-CD1 3.63Å; V15-L18 HydrophobicContact CG1-CG 3.96Å; V15-L18 PolarHBondContact O-N 3.42Å
16Y55.2Low57.3Low26 Ų2666.4 Ų66.410%0.10233%0.326CS..G310 helixtrans-64.1-28.3-171.1-61.3-63.7000113.8Y11 E14 L18 C19 Q20 L21 T26Y11-Y16 HydrophobicContact CD1-CD1 4.41Å; Y11-Y16 AromaticContact CD1-CE1 3.82Å; Y11-Y16 HydrophobicContact CD1-CE1 3.82Å; Y11-Y16 HydrophobicContact CE1-CE1 4.3Å; E14-Y16 VanDerWaalsContact CA-CE2 3.41Å; E14-Y16 HydrophobicContact CB-CD2 4.02Å; E14-Y16 HydrophobicContact CB-CE2 3.46Å; E14-Y16 VanDerWaalsContact CB-CE2 3.46Å; E14-Y16 HydrophobicContact CG-CE2 3.77Å; E14-Y16 WeakPolarHBondContact O-CD2 3.48Å; E14-Y16 PolarHBondContact O-N 2.89Å; Y16-L18 VanDerWaalsContact C-N 3.26Å; Y16-L18 PolarHBondContact O-N 3.49Å; Y16-C19 CarbonylContact O-C 3.6Å; Y16-C19 WeakPolarHBondContact O-CA 3.09Å; Y16-C19 WeakPolarHBondContact O-CB 3.41Å; Y16-C19 PolarHBondContact O-N 3.48Å; Y16-Q20 PolarHBondContact O-N 2.89Å; Y16-L21 CarbonylContact C-O 3.53Å; Y16-L21 WeakPolarHBondContact CB-O 3.01Å; Y16-L21 HydrophobicContact CD1-CB 3.87Å; Y16-L21 HydrophobicContact CD1-CD1 4.08Å; Y16-L21 HydrophobicContact CG-CB 4.18Å; Y16-L21 PolarHBondContact O-N 3Å; Y16-L21 VanDerWaalsContact O-O 3.08Å; Y16-T26 HydrophobicContact CD2-CG2 4.18Å; Y16-T26 HydrophobicContact CE1-CG2 4.5Å; Y16-T26 HydrophobicContact CE2-CG2 3.31Å; Y16-T26 WeakPolarHBondContact OH-CG2 3.43Å
17H53.8Low58.2Low139 Ų13966.7 Ų66.764%0.64432%0.322SS*.G310 helixtrans-59.8-32.9-178.666.8-90.5000113.4V15 C19V15-H17 VanDerWaalsContact C-N 3.28Å; V15-H17 WeakPolarHBondContact CG1-CE1 3.46Å; V15-H17 PolarHBondContact O-N 3.27Å; H17-C19 PolarHBondContact O-N 2.81Å
18L52.4Low59.2Low54 Ų5465 Ų6528%0.28332%0.315SS..G310 helixtrans-69.6-14.2176.4-65.2177.7000112.6L10 V15 Y16 D124L10-L18 HydrophobicContact CD2-CD1 4.32Å; V15-L18 HydrophobicContact CG1-CD1 3.63Å; V15-L18 HydrophobicContact CG1-CG 3.96Å; V15-L18 PolarHBondContact O-N 3.42Å; Y16-L18 VanDerWaalsContact C-N 3.26Å; Y16-L18 PolarHBondContact O-N 3.49Å; L18-D124 HydrophobicContact CD2-CB 3.93Å; L18-D124 CarbonylContact O-C 3.19Å; L18-D124 VanDerWaalsContact O-C 3.23Å
19C54.6Low60.2Low12 Ų1267 Ų678%0.08132%0.324CS..G310 helixtrans-1156.1-171.5-58.90000112.9Y16 H17 L21 M79Y16-C19 CarbonylContact O-C 3.6Å; Y16-C19 WeakPolarHBondContact O-CA 3.09Å; Y16-C19 WeakPolarHBondContact O-CB 3.41Å; Y16-C19 PolarHBondContact O-N 3.48Å; H17-C19 PolarHBondContact O-N 2.81Å; C19-L21 HydrophobicContact CB-CB 4.26Å; C19-L21 HydrophobicContact CB-CD1 3.54Å; C19-L21 HydrophobicContact CB-CG 3.66Å; C19-L21 PolarHBondContact O-N 2.93Å; C19-M79 HydrophobicContact CB-CE 3.32Å; C19-M79 HydrophobicContact CB-SD 3.35Å; C19-M79 WeakPolarHBondContact CB-SD 3.14Å; C19-M79 WeakPolarHBondContact SG-CE 3.29Å; C19-M79 PolarHBondContact SG-SD 3.09Å
20Q57.9Low61.3Low41 Ų4174 Ų7419%0.19235%0.345CS..THydrogen-bonded Turntrans51.628.8-164.9-53.7177.6-6.100113.4Y16 R64 R120 T125Y16-Q20 PolarHBondContact O-N 2.89Å; Q20-R64 PolarHBondContact O-NH2 2.9Å; Q20-R120 PolarHBondContact NE2-O 3.18Å; Q20-T125 VanDerWaalsContact CG-CB 3.5Å; Q20-T125 HydrophobicContact CG-CG2 3.29Å; Q20-T125 VanDerWaalsContact NE2-CB 3.29Å; Q20-T125 PolarHBondContact NE2-OG1 3.25Å
21L58.9Low62.5Low13 Ų1375.5 Ų75.57%0.06835%0.353CS..  trans-92.3128.6172.2-60.9170.8000105.2Y11 Y16 C19 F25 L68 M79Y11-L21 HydrophobicContact CD1-CD1 4.39Å; Y11-L21 HydrophobicContact CE1-CD1 3.45Å; Y11-L21 VanDerWaalsContact CE1-CD1 3.45Å; Y11-L21 HydrophobicContact CE2-CD1 4.12Å; Y11-L21 WeakPolarHBondContact OH-CD1 3.34Å; Y16-L21 CarbonylContact C-O 3.53Å; Y16-L21 WeakPolarHBondContact CB-O 3.01Å; Y16-L21 HydrophobicContact CD1-CB 3.87Å; Y16-L21 HydrophobicContact CD1-CD1 4.08Å; Y16-L21 HydrophobicContact CG-CB 4.18Å; Y16-L21 PolarHBondContact O-N 3Å; Y16-L21 VanDerWaalsContact O-O 3.08Å; C19-L21 HydrophobicContact CB-CB 4.26Å; C19-L21 HydrophobicContact CB-CD1 3.54Å; C19-L21 HydrophobicContact CB-CG 3.66Å; C19-L21 PolarHBondContact O-N 2.93Å; L21-F25 HydrophobicContact CB-CB 3.85Å; L21-F25 HydrophobicContact CB-CD2 4.29Å; L21-F25 HydrophobicContact CB-CG 4.04Å; L21-F25 HydrophobicContact CD2-CB 3.8Å; L21-F25 HydrophobicContact CD2-CD1 3.15Å; L21-F25 HydrophobicContact CD2-CD2 4.14Å; L21-F25 HydrophobicContact CD2-CE1 3.62Å; L21-F25 HydrophobicContact CD2-CG 3.44Å; L21-F25 VanDerWaalsContact CD2-CG 3.44Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 HydrophobicContact CG-CB 4.29Å; L21-F25 HydrophobicContact CG-CD1 4.4Å; L21-F25 HydrophobicContact CG-CG 4.3Å; L21-L68 HydrophobicContact CD2-CD2 3.98Å; L21-M79 HydrophobicContact CD1-CE 3.68Å
22T56.6Low63.6Low65 Ų6582 Ų8240%0.39938%0.384SS..  trans-87.7171.7168.755.90000108.7K24 F25T22-K24 PolarHBondContact O-N 3.15Å; T22-K24 WeakPolarHBondContact OG1-CB 3.21Å; T22-K24 PolarHBondContact OG1-N 3.45Å; T22-F25 WeakPolarHBondContact O-CB 3.32Å; T22-F25 PolarHBondContact O-N 3.35Å; T22-F25 WeakPolarHBondContact OG1-CD2 3.25Å
23E58Low64.6Low165 Ų16573.5 Ų73.577%0.77135%0.352SS*.G310 helixtrans-51.2-21.3169.1-68.8176.4-175.400112.4F25 T26E23-F25 PolarHBondContact O-N 3.03Å; E23-T26 WeakPolarHBondContact O-CB 3.42Å; E23-T26 VanDerWaalsContact O-CG2 3.24Å; E23-T26 WeakPolarHBondContact O-CG2 3.28Å; E23-T26 PolarHBondContact O-N 2.87Å; E23-T26 PolarHBondContact O-OG1 3.42Å
24K62Low65.3Low108 Ų10870.7 Ų70.747%0.4735%0.346SS..G310 helixtrans-65.7-14174.5-57.4-175.7176.3-178.70114.3T22 R65T22-K24 PolarHBondContact O-N 3.15Å; T22-K24 WeakPolarHBondContact OG1-CB 3.21Å; T22-K24 PolarHBondContact OG1-N 3.45Å; K24-R65 WeakPolarHBondContact O-CD 3.32Å; K24-R65 PolarHBondContact O-NH1 3.15Å
25F70.7Confident66.1Low3 Ų366.6 Ų66.61%0.01334%0.34CS..G310 helixtrans-99.4-0.5-179.3-71-102.3000113.6L21 T22 E23 D27 V28 R64 R65 L68L21-F25 HydrophobicContact CB-CB 3.85Å; L21-F25 HydrophobicContact CB-CD2 4.29Å; L21-F25 HydrophobicContact CB-CG 4.04Å; L21-F25 HydrophobicContact CD2-CB 3.8Å; L21-F25 HydrophobicContact CD2-CD1 3.15Å; L21-F25 HydrophobicContact CD2-CD2 4.14Å; L21-F25 HydrophobicContact CD2-CE1 3.62Å; L21-F25 HydrophobicContact CD2-CG 3.44Å; L21-F25 VanDerWaalsContact CD2-CG 3.44Å; L21-F25 HydrophobicContact CD2-CZ 4.29Å; L21-F25 HydrophobicContact CG-CB 4.29Å; L21-F25 HydrophobicContact CG-CD1 4.4Å; L21-F25 HydrophobicContact CG-CG 4.3Å; T22-F25 WeakPolarHBondContact O-CB 3.32Å; T22-F25 PolarHBondContact O-N 3.35Å; T22-F25 WeakPolarHBondContact OG1-CD2 3.25Å; E23-F25 PolarHBondContact O-N 3.03Å; F25-D27 VanDerWaalsContact C-N 3.29Å; F25-D27 PolarHBondContact O-N 2.94Å; F25-V28 HydrophobicContact CB-CG2 4.12Å; F25-V28 HydrophobicContact CD1-CG2 4.16Å; F25-V28 WeakPolarHBondContact O-CG2 3.23Å; F25-R64 HydrophobicContact CE1-CB 3.93Å; F25-R64 HydrophobicContact CZ-CB 4.03Å; F25-R65 HydrophobicContact CD1-CB 4.44Å; F25-R65 HydrophobicContact CD1-CG 3.38Å; F25-R65 HydrophobicContact CD2-CG 4.24Å; F25-R65 HydrophobicContact CE1-CB 4.34Å; F25-R65 HydrophobicContact CE1-CG 3.38Å; F25-R65 HydrophobicContact CE2-CG 4.24Å; F25-R65 HydrophobicContact CG-CG 3.85Å; F25-R65 HydrophobicContact CZ-CG 3.83Å; F25-L68 HydrophobicContact CD1-CD2 4.07Å
26T66.1Low67Low53 Ų5371.8 Ų71.833%0.32537%0.367SS..THydrogen-bonded Turntrans-58.6-41.4176.351.50000111.9Y16 E23 V28Y16-T26 HydrophobicContact CD2-CG2 4.18Å; Y16-T26 HydrophobicContact CE1-CG2 4.5Å; Y16-T26 HydrophobicContact CE2-CG2 3.31Å; Y16-T26 WeakPolarHBondContact OH-CG2 3.43Å; E23-T26 WeakPolarHBondContact O-CB 3.42Å; E23-T26 VanDerWaalsContact O-CG2 3.24Å; E23-T26 WeakPolarHBondContact O-CG2 3.28Å; E23-T26 PolarHBondContact O-N 2.87Å; E23-T26 PolarHBondContact O-OG1 3.42Å; T26-V28 PolarHBondContact O-N 2.82Å
27D69.4Low68.1Low75 Ų7573.4 Ų73.440%0.40138%0.377SS..THydrogen-bonded Turntrans-94.316.5-170.9-78.4-19.3000114.5F25 D29 R30F25-D27 VanDerWaalsContact C-N 3.29Å; F25-D27 PolarHBondContact O-N 2.94Å; D27-D29 PolarHBondContact O-N 3.31Å; D27-D29 VanDerWaalsContact O-N 3.15Å; D27-R30 HydrophobicContact CB-CG 4.38Å; D27-R30 WeakPolarHBondContact O-CB 3.49Å; D27-R30 PolarHBondContact O-N 3.46Å; D27-R30 IonicContact OD1-CZ 3.13Å; D27-R30 IonicContact OD1-NE 3.82Å; D27-R30 PolarHBondContact OD1-NE 2.68Å; D27-R30 IonicContact OD1-NH1 2.84Å; D27-R30 PolarHBondContact OD1-NH1 3.08Å; D27-R30 IonicContact OD1-NH2 2.86Å; D27-R30 IonicContact OD2-CZ 3.55Å; D27-R30 IonicContact OD2-NH1 3.88Å; D27-R30 PolarHBondContact OD2-NH1 3.01Å
28V75.6Confident69.1Low3 Ų369 Ų692%0.01836%0.358CS..G310 helixtrans-58.6-31.4-176.6169.50000112F25 T26 R30 I31 R65 L68 A69F25-V28 HydrophobicContact CB-CG2 4.12Å; F25-V28 HydrophobicContact CD1-CG2 4.16Å; F25-V28 WeakPolarHBondContact O-CG2 3.23Å; T26-V28 PolarHBondContact O-N 2.82Å; V28-R30 PolarHBondContact O-N 3.18Å; V28-I31 WeakPolarHBondContact O-CB 3.5Å; V28-I31 PolarHBondContact O-N 2.99Å; V28-I31 VanDerWaalsContact O-N 3.14Å; V28-R65 HydrophobicContact CG2-CB 4.21Å; V28-R65 HydrophobicContact CG2-CG 4.08Å; V28-L68 HydrophobicContact CB-CD2 4.42Å; V28-L68 HydrophobicContact CG1-CB 4.08Å; V28-L68 HydrophobicContact CG1-CD2 3.95Å; V28-L68 HydrophobicContact CG1-CG 3.87Å; V28-L68 HydrophobicContact CG2-CD2 4.08Å; V28-A69 VanDerWaalsContact CG1-CA 3.43Å; V28-A69 HydrophobicContact CG1-CB 3.51Å; V28-A69 VanDerWaalsContact CG1-N 3.28Å; V28-A69 VanDerWaalsContact O-CB 3.31Å; V28-A69 WeakPolarHBondContact O-CB 3.38Å
29D73.7Confident70.3Confident94 Ų9472.4 Ų72.450%0.50338%0.377SS..G310 helixtrans-67.3-14.5177.3-68.6-25.6000113.6D27 I31 R72D27-D29 PolarHBondContact O-N 3.31Å; D27-D29 VanDerWaalsContact O-N 3.15Å; D29-I31 VanDerWaalsContact C-N 3.33Å; D29-R72 IonicContact OD1-CZ 3.4Å; D29-R72 IonicContact OD1-NE 2.68Å; D29-R72 PolarHBondContact OD1-NE 3.46Å; D29-R72 IonicContact OD1-NH2 2.75Å; D29-R72 PolarHBondContact OD1-NH2 3.02Å; D29-R72 VanDerWaalsContact OD1-NH2 3.1Å; D29-R72 IonicContact OD2-CZ 3.46Å; D29-R72 IonicContact OD2-NE 3.56Å; D29-R72 IonicContact OD2-NH2 3.88Å; D29-R72 PolarHBondContact OD2-NH2 2.87Å
30R77.9Confident71.4Confident172 Ų17274 Ų7465%0.64939%0.388SS*.G310 helixtrans-81.9-9.9174.7-58.4-178177.3165.9-4.4113.3D27 V28 H32D27-R30 HydrophobicContact CB-CG 4.38Å; D27-R30 WeakPolarHBondContact O-CB 3.49Å; D27-R30 PolarHBondContact O-N 3.46Å; D27-R30 IonicContact OD1-CZ 3.13Å; D27-R30 IonicContact OD1-NE 3.82Å; D27-R30 PolarHBondContact OD1-NE 2.68Å; D27-R30 IonicContact OD1-NH1 2.84Å; D27-R30 PolarHBondContact OD1-NH1 3.08Å; D27-R30 IonicContact OD1-NH2 2.86Å; D27-R30 IonicContact OD2-CZ 3.55Å; D27-R30 IonicContact OD2-NH1 3.88Å; D27-R30 PolarHBondContact OD2-NH1 3.01Å; V28-R30 PolarHBondContact O-N 3.18Å; R30-H32 PolarHBondContact O-CD2 3.43Å; R30-H32 PolarHBondContact O-N 3.38Å
31I80.9Confident72Confident51 Ų5180 Ų8026%0.26242%0.421SS..  trans-79.8108.6178.7-58.3175.6000108.3V28 D29 F33 R65 A69 Q73V28-I31 WeakPolarHBondContact O-CB 3.5Å; V28-I31 PolarHBondContact O-N 2.99Å; V28-I31 VanDerWaalsContact O-N 3.14Å; D29-I31 VanDerWaalsContact C-N 3.33Å; I31-F33 HydrophobicContact CG2-CE2 3.83Å; I31-F33 HydrophobicContact CG2-CZ 3.97Å; I31-R65 HydrophobicContact CD1-CB 4.21Å; I31-A69 HydrophobicContact CB-CB 3.74Å; I31-A69 HydrophobicContact CD1-CB 4.16Å; I31-A69 HydrophobicContact CG1-CB 4.43Å; I31-A69 HydrophobicContact CG2-CB 4.11Å; I31-Q73 PolarHBondContact O-NE2 2.84Å
32H77.9Confident72.7Confident159 Ų15982.4 Ų82.474%0.73643%0.433SS*.PPolyproline II helixtrans-90.9134.9176.6-64.3-65.9000111.3R30R30-H32 PolarHBondContact O-CD2 3.43Å; R30-H32 PolarHBondContact O-N 3.38Å
33F78.9Confident73.7Confident24 Ų2479.3 Ų79.311%0.10541%0.414CS..PPolyproline II helixtrans-100.7143.5172.4-67.3-93.4000109.5I31 D37 L38 I43 R66 A69 W70I31-F33 HydrophobicContact CG2-CE2 3.83Å; I31-F33 HydrophobicContact CG2-CZ 3.97Å; F33-D37 HydrophobicContact CB-CB 4.17Å; F33-D37 HydrophobicContact CD1-CB 3.92Å; F33-L38 HydrophobicContact CB-CB 4.15Å; F33-I43 HydrophobicContact CD1-CD1 4.1Å; F33-I43 HydrophobicContact CE1-CD1 3.52Å; F33-I43 HydrophobicContact CZ-CD1 4.31Å; F33-R66 HydrophobicContact CE1-CG 3.61Å; F33-R66 VanDerWaalsContact CE1-CZ 3.49Å; F33-R66 HydrophobicContact CZ-CG 3.6Å; F33-R66 VanDerWaalsContact CZ-O 3.22Å; F33-R66 WeakPolarHBondContact CZ-O 3.31Å; F33-A69 HydrophobicContact CE2-CB 3.57Å; F33-A69 HydrophobicContact CZ-CB 4.09Å; F33-W70 HydrophobicContact CD2-CB 4.48Å; F33-W70 HydrophobicContact CE1-CB 3.97Å; F33-W70 HydrophobicContact CE2-CB 3.9Å; F33-W70 HydrophobicContact CZ-CB 3.64Å
34S75.4Confident74.6Confident63 Ų6372.5 Ų72.544%0.44139%0.389SS..PPolyproline II helixtrans-67.1160.4165.262.20000109.9D36 D37 L38S34-D36 PolarHBondContact O-N 3.21Å; S34-D37 PolarHBondContact O-N 2.84Å; S34-D37 WeakPolarHBondContact OG-CB 3.31Å; S34-D37 VanDerWaalsContact OG-CG 3.27Å; S34-D37 PolarHBondContact OG-N 2.75Å; S34-L38 PolarHBondContact O-N 2.76Å
35G73.7Confident75.6Confident48 Ų4875 Ų7550%0.49540%0.402SS..Hα-helixtrans-56.2-36.4-179.800000113.4N39G35-N39 WeakPolarHBondContact O-CB 3.44Å; G35-N39 PolarHBondContact O-N 3.23Å; G35-N39 PolarHBondContact O-ND2 3Å
36D77.9Confident76.3Confident140 Ų14078 Ų7875%0.74942%0.416SS*.Hα-helixtrans-71.1-44.3177.6-64.2-21.3000111.8S34 L38 N39 S40S34-D36 PolarHBondContact O-N 3.21Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.78Å; D36-N39 CarbonylContact O-C 2.82Å; D36-N39 PolarHBondContact O-N 2.9Å; D36-S40 PolarHBondContact O-N 2.88Å
37D77.6Confident77.4Confident59 Ų5981.3 Ų81.332%0.31644%0.436SS..Hα-helixtrans-65-37.4178.7-75.15.1000112.1F33 S34 N39 S40 R66 W70F33-D37 HydrophobicContact CB-CB 4.17Å; F33-D37 HydrophobicContact CD1-CB 3.92Å; S34-D37 PolarHBondContact O-N 2.84Å; S34-D37 WeakPolarHBondContact OG-CB 3.31Å; S34-D37 VanDerWaalsContact OG-CG 3.27Å; S34-D37 PolarHBondContact OG-N 2.75Å; D37-N39 VanDerWaalsContact C-N 3.33Å; D37-S40 WeakPolarHBondContact O-CB 3.5Å; D37-S40 PolarHBondContact O-N 3.4Å; D37-R66 IonicContact OD2-CZ 3.4Å; D37-R66 IonicContact OD2-NH1 3.59Å; D37-R66 IonicContact OD2-NH2 3.66Å; D37-R66 PolarHBondContact OD2-NH2 3.48Å; D37-W70 PolarHBondContact O-NE1 3.36Å
38L74.7Confident78.5Confident47 Ų4778.8 Ų78.825%0.24642%0.422CS..Hα-helixtrans-67.2-37178.9-172.863.9000111.7F33 S34 D36 S40 W70 Q73 R74F33-L38 HydrophobicContact CB-CB 4.15Å; S34-L38 PolarHBondContact O-N 2.76Å; D36-L38 VanDerWaalsContact C-N 3.34Å; D36-L38 PolarHBondContact O-N 2.78Å; L38-S40 VanDerWaalsContact C-N 3.34Å; L38-W70 PolarHBondContact O-NE1 2.93Å; L38-W70 VanDerWaalsContact O-NE1 3.08Å; L38-Q73 HydrophobicContact CD1-CB 3.77Å; L38-R74 HydrophobicContact CD1-CG 3.88Å; L38-R74 HydrophobicContact CG-CG 4.5Å; L38-R74 PolarHBondContact O-NH1 3.18Å; L38-R74 VanDerWaalsContact O-NH1 3.14Å
39N77.2Confident79.3Confident126 Ų12686.2 Ų86.267%0.67446%0.457SS*.Hα-helixtrans-83.4-9.2177.7-69.9-36.5000113.5G35 D36 D37 L41G35-N39 WeakPolarHBondContact O-CB 3.44Å; G35-N39 PolarHBondContact O-N 3.23Å; G35-N39 PolarHBondContact O-ND2 3Å; D36-N39 CarbonylContact O-C 2.82Å; D36-N39 PolarHBondContact O-N 2.9Å; D37-N39 VanDerWaalsContact C-N 3.33Å; N39-L41 PolarHBondContact O-N 2.89Å
40S78.5Confident80.2Confident46 Ų4686.6 Ų86.632%0.32245%0.451SS..  trans-49.6137.1172.9-176.70000110.6D36 D37 L38 D42 W70D36-S40 PolarHBondContact O-N 2.88Å; D37-S40 WeakPolarHBondContact O-CB 3.5Å; D37-S40 PolarHBondContact O-N 3.4Å; L38-S40 VanDerWaalsContact C-N 3.34Å; S40-D42 PolarHBondContact O-N 3.49Å; S40-W70 WeakPolarHBondContact O-CZ2 3.45Å
41L70.1Confident80.9Confident167 Ų16782.7 Ų82.787%0.87444%0.443SS*.SBendtrans-68.1-36.9-168.7-150.678.9000111.9N39N39-L41 PolarHBondContact O-N 2.89Å
42D73.3Confident81.5Confident62 Ų6287 Ų8733%0.33247%0.474SS..  trans-157.8102.1178.2-160.7-2.9000113.6S40 G44 E45 R67S40-D42 PolarHBondContact O-N 3.49Å; D42-G44 PolarHBondContact O-N 2.93Å; D42-G44 VanDerWaalsContact OD1-CA 3.23Å; D42-G44 WeakPolarHBondContact OD1-CA 3.22Å; D42-G44 PolarHBondContact OD1-N 3.46Å; D42-E45 HydrophobicContact CB-CG 4.09Å; D42-E45 PolarHBondContact O-N 3.43Å; D42-E45 VanDerWaalsContact O-N 3.14Å; D42-R67 IonicContact OD1-CZ 2.78Å; D42-R67 IonicContact OD1-NH1 3.93Å; D42-R67 PolarHBondContact OD1-NH1 3.23Å; D42-R67 IonicContact OD1-NH2 2.72Å; D42-R67 PolarHBondContact OD1-NH2 3.04Å
43I78Confident82.2Confident0 Ų084.9 Ų84.90%047%0.472CS..G310 helixtrans-59-16167.1-66.9-161.6000111.8F33 E45 E46 W63 R67 W70F33-I43 HydrophobicContact CD1-CD1 4.1Å; F33-I43 HydrophobicContact CE1-CD1 3.52Å; F33-I43 HydrophobicContact CZ-CD1 4.31Å; I43-E45 PolarHBondContact O-N 3.41Å; I43-E46 WeakPolarHBondContact O-CB 3.41Å; I43-E46 PolarHBondContact O-N 3.5Å; I43-W63 PolarHBondContact O-NE1 2.98Å; I43-R67 HydrophobicContact CG2-CB 4.16Å; I43-W70 HydrophobicContact CB-CD2 4.42Å; I43-W70 HydrophobicContact CD1-CB 3.61Å; I43-W70 HydrophobicContact CD1-CD2 4.01Å; I43-W70 HydrophobicContact CD1-CG 3.34Å; I43-W70 HydrophobicContact CG1-CD2 4.05Å; I43-W70 HydrophobicContact CG1-CG 3.92Å
44G77.4Confident82.9Confident23 Ų2385.5 Ų85.524%0.23748%0.477CS..G310 helixtrans-59.7-31.7173.200000115.6D42 E46D42-G44 PolarHBondContact O-N 2.93Å; D42-G44 VanDerWaalsContact OD1-CA 3.23Å; D42-G44 WeakPolarHBondContact OD1-CA 3.22Å; D42-G44 PolarHBondContact OD1-N 3.46Å; G44-E46 VanDerWaalsContact C-N 3.33Å
45E83.3Confident83.6Confident159 Ų15986.2 Ų86.274%0.74348%0.479SS*.G310 helixtrans-89.2-4.3-178.2-61.5-64.7151.700111.7D42 I43 V47D42-E45 HydrophobicContact CB-CG 4.09Å; D42-E45 PolarHBondContact O-N 3.43Å; D42-E45 VanDerWaalsContact O-N 3.14Å; I43-E45 PolarHBondContact O-N 3.41Å; E45-V47 PolarHBondContact O-N 2.76Å
46E85.7Confident84.4Confident67 Ų6788.4 Ų88.431%0.31348%0.484SS..SBendtrans-64.8131.3175.2-71.5-179-174.600110.9I43 G44 I48 R66I43-E46 WeakPolarHBondContact O-CB 3.41Å; I43-E46 PolarHBondContact O-N 3.5Å; G44-E46 VanDerWaalsContact C-N 3.33Å; E46-I48 PolarHBondContact O-N 2.73Å; E46-R66 IonicContact OE1-NE 3.38Å; E46-R66 IonicContact OE1-NH2 3.58Å; E46-R66 IonicContact OE2-NE 3.28Å; E46-R66 PolarHBondContact OE2-NE 3.47Å
47V89.1Confident85Confident123 Ų12382.1 Ų82.175%0.74545%0.452SS*.  trans-64.5130.7172.8-179.30000109.5E45 Q49E45-V47 PolarHBondContact O-N 2.76Å; V47-Q49 PolarHBondContact O-N 3.34Å
48I91.5Very high85.6Confident22 Ų2282.2 Ų82.211%0.11345%0.451CS..  trans-63.6102.5174.2-60.3161.8000109.1E46 R50 A59 F60 W63E46-I48 PolarHBondContact O-N 2.73Å; I48-R50 HydrophobicContact CG2-CG 4.48Å; I48-R50 PolarHBondContact O-N 3.4Å; I48-R50 PolarHBondContact O-NH1 2.99Å; I48-R50 VanDerWaalsContact O-NH1 3.14Å; I48-A59 HydrophobicContact CG2-CB 3.77Å; I48-F60 HydrophobicContact CD1-CD2 3.74Å; I48-F60 HydrophobicContact CD1-CE2 4.43Å; I48-W63 HydrophobicContact CG1-CB 4.27Å; I48-W63 HydrophobicContact CG1-CD2 4.42Å; I48-W63 HydrophobicContact CG1-CG 4.06Å
49Q91.8Very high86.5Confident159 Ų15980.3 Ų80.374%0.74344%0.442SS*.  trans-68.8126.6175.3-64.9-176.9-100109.9V47 R62V47-Q49 PolarHBondContact O-N 3.34Å; Q49-R62 PolarHBondContact O-NH2 2.69Å
50R93.4Very high87.2Confident101 Ų10175.2 Ų75.238%0.38141%0.414SS..  trans-113.1130-178.4-68.7177.1175.784.4-3.9110.1I48 A59 Q115 D116I48-R50 HydrophobicContact CG2-CG 4.48Å; I48-R50 PolarHBondContact O-N 3.4Å; I48-R50 PolarHBondContact O-NH1 2.99Å; I48-R50 VanDerWaalsContact O-NH1 3.14Å; R50-A59 HydrophobicContact CB-CB 4.45Å; R50-A59 HydrophobicContact CG-CB 3.69Å; R50-Q115 VanDerWaalsContact NE-NE2 3.19Å; R50-D116 IonicContact CZ-OD1 2.8Å; R50-D116 IonicContact NH2-OD1 2.69Å; R50-D116 PolarHBondContact NH2-OD1 3.28Å; R50-D116 IonicContact NH2-OD2 3.8Å
51L92.8Very high87.7Confident91 Ų9174.6 Ų74.648%0.47641%0.407SS..  trans-95.7149.7176.1-58.5176.4000109.7T53 D54L51-T53 PolarHBondContact O-N 3.4Å; L51-T53 VanDerWaalsContact O-N 3.09Å; L51-D54 PolarHBondContact N-OD2 3.18Å; L51-D54 WeakPolarHBondContact O-CB 3.41Å; L51-D54 PolarHBondContact O-N 3.44Å
52P92.8Very high88.6Confident140 Ų14070.2 Ų70.291%0.90938%0.378SS*.THydrogen-bonded Turntrans-59.2-22176.5-2434000114.1
53T93.4Very high89.4Confident115 Ų11569.8 Ų69.871%0.70637%0.372SS*.THydrogen-bonded Turntrans-89.4-7.5179.354.40000113.7L51 T55L51-T53 PolarHBondContact O-N 3.4Å; L51-T53 VanDerWaalsContact O-N 3.09Å; T53-T55 PolarHBondContact O-N 3.13Å
54D92.7Very high89.8Confident38 Ų3871.8 Ų71.820%0.20338%0.38CS..PPolyproline II helixtrans-69.8128.8-175.3-74.5-29.3000110.8L51 E58 A59 R62L51-D54 PolarHBondContact N-OD2 3.18Å; L51-D54 WeakPolarHBondContact O-CB 3.41Å; L51-D54 PolarHBondContact O-N 3.44Å; D54-E58 WeakPolarHBondContact CA-OE2 3.35Å; D54-E58 HydrophobicContact CB-CB 4.25Å; D54-A59 WeakPolarHBondContact OD2-CB 3.34Å; D54-R62 IonicContact OD1-CZ 3.78Å; D54-R62 IonicContact OD1-NH1 3.45Å; D54-R62 PolarHBondContact OD1-NH1 3.07Å; D54-R62 IonicContact OD1-NH2 3.9Å; D54-R62 IonicContact OD2-CZ 3.21Å; D54-R62 IonicContact OD2-NH1 3.33Å; D54-R62 PolarHBondContact OD2-NH1 2.7Å; D54-R62 IonicContact OD2-NH2 3.32Å; D54-R62 PolarHBondContact OD2-NH2 3.25Å
55T91.7Very high90.2Very high78 Ų7874.3 Ų74.348%0.47938%0.382SS..PPolyproline II helixtrans-78.1161.5164.768.80000110.8T53 G57 E58T53-T55 PolarHBondContact O-N 3.13Å; T55-G57 PolarHBondContact O-N 3.31Å; T55-E58 PolarHBondContact N-OE2 2.8Å; T55-E58 WeakPolarHBondContact O-CB 3.27Å; T55-E58 PolarHBondContact O-N 3.14Å; T55-E58 WeakPolarHBondContact OG1-CG 3.5Å; T55-E58 PolarHBondContact OG1-OE1 3.1Å; T55-E58 PolarHBondContact OG1-OE2 3.39Å
56P89.9Confident90.3Very high94 Ų9470 Ų7061%0.6136%0.359SS*.THydrogen-bonded Turntrans-51.5125.1179.6-28.836.4000112.5
57G90.4Very high90.4Very high7 Ų769.5 Ų69.57%0.07235%0.354CS..THydrogen-bonded Turntrans87.6-15.7-177.700000116.8T55 A59 F60 D61 Q115 D116T55-G57 PolarHBondContact O-N 3.31Å; G57-A59 PolarHBondContact O-N 3.31Å; G57-F60 PolarHBondContact O-N 2.72Å; G57-D61 WeakPolarHBondContact O-CB 3.41Å; G57-D61 PolarHBondContact O-N 3.21Å; G57-Q115 PolarHBondContact N-O 3.34Å; G57-D116 WeakPolarHBondContact CA-O 3.26Å
58E90.9Very high90.1Very high61 Ų6164.8 Ų64.829%0.28533%0.325SS..Hα-helixtrans-65.1-41.3-179-77.6-177.5163.200113.4D54 T55 F60 D61 R62D54-E58 WeakPolarHBondContact CA-OE2 3.35Å; D54-E58 HydrophobicContact CB-CB 4.25Å; T55-E58 PolarHBondContact N-OE2 2.8Å; T55-E58 WeakPolarHBondContact O-CB 3.27Å; T55-E58 PolarHBondContact O-N 3.14Å; T55-E58 WeakPolarHBondContact OG1-CG 3.5Å; T55-E58 PolarHBondContact OG1-OE1 3.1Å; T55-E58 PolarHBondContact OG1-OE2 3.39Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 2.87Å; E58-D61 PolarHBondContact O-N 3.44Å; E58-R62 WeakPolarHBondContact O-CB 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å
59A92.9Very high89.8Confident7 Ų763.8 Ų63.86%0.05832%0.32CS..Hα-helixtrans-61-42175.400000111.6I48 R50 D54 G57 R62 W63I48-A59 HydrophobicContact CG2-CB 3.77Å; R50-A59 HydrophobicContact CB-CB 4.45Å; R50-A59 HydrophobicContact CG-CB 3.69Å; D54-A59 WeakPolarHBondContact OD2-CB 3.34Å; G57-A59 PolarHBondContact O-N 3.31Å; A59-R62 PolarHBondContact O-N 2.88Å; A59-W63 PolarHBondContact O-N 2.68Å
60F92Very high89.5Confident20 Ų2056.8 Ų56.89%0.08829%0.287CS..Hα-helixtrans-69.8-42.1179.9-179.7-114000111.9I48 G57 E58 R62 W63 R64 W108 D116 L119I48-F60 HydrophobicContact CD1-CD2 3.74Å; I48-F60 HydrophobicContact CD1-CE2 4.43Å; G57-F60 PolarHBondContact O-N 2.72Å; E58-F60 VanDerWaalsContact C-N 3.29Å; E58-F60 PolarHBondContact O-N 2.87Å; F60-R62 PolarHBondContact O-N 3.46Å; F60-W63 HydrophobicContact CD2-CE3 4.18Å; F60-W63 AromaticContact CE2-CE3 3.9Å; F60-W63 HydrophobicContact CE2-CE3 3.9Å; F60-W63 AromaticContact CE2-CZ3 3.94Å; F60-W63 HydrophobicContact CE2-CZ3 3.94Å; F60-W63 PolarHBondContact O-N 2.79Å; F60-R64 HydrophobicContact CD1-CG 4.38Å; F60-R64 HydrophobicContact CE1-CG 3.97Å; F60-R64 HydrophobicContact CE2-CG 4.19Å; F60-R64 HydrophobicContact CZ-CG 3.88Å; F60-R64 WeakPolarHBondContact O-CG 3.26Å; F60-R64 PolarHBondContact O-N 3.06Å; F60-W108 AromaticContact CD1-CH2 3.91Å; F60-W108 HydrophobicContact CD1-CH2 3.91Å; F60-W108 HydrophobicContact CD1-CZ2 4.2Å; F60-W108 AromaticContact CE1-CH2 3.4Å; F60-W108 HydrophobicContact CE1-CH2 3.4Å; F60-W108 AromaticContact CE1-CZ2 3.92Å; F60-W108 HydrophobicContact CE1-CZ2 3.92Å; F60-W108 HydrophobicContact CE1-CZ3 4.32Å; F60-W108 HydrophobicContact CE2-CH2 4.05Å; F60-W108 HydrophobicContact CG-CH2 4.43Å; F60-W108 AromaticContact CZ-CH2 3.47Å; F60-W108 HydrophobicContact CZ-CH2 3.47Å; F60-W108 VanDerWaalsContact CZ-CH2 3.47Å; F60-W108 HydrophobicContact CZ-CZ2 4.43Å; F60-W108 HydrophobicContact CZ-CZ3 4.03Å; F60-D116 HydrophobicContact CB-CB 3.84Å; F60-D116 HydrophobicContact CD1-CB 4.23Å; F60-D116 HydrophobicContact CG-CB 3.95Å; F60-L119 HydrophobicContact CE1-CD1 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.39Å
61D89.3Confident89Confident32 Ų3253.7 Ų53.717%0.17128%0.277CS..Hα-helixtrans-66.1-36174.5-85.6-12.9000112.3G57 E58 R64 R65G57-D61 WeakPolarHBondContact O-CB 3.41Å; G57-D61 PolarHBondContact O-N 3.21Å; E58-D61 PolarHBondContact O-N 3.44Å; D61-R64 PolarHBondContact O-N 3.1Å; D61-R64 IonicContact OD1-CZ 3.18Å; D61-R64 IonicContact OD1-NH1 2.82Å; D61-R64 PolarHBondContact OD1-NH1 2.98Å; D61-R65 WeakPolarHBondContact O-CB 3.02Å; D61-R65 VanDerWaalsContact O-CG 3.26Å; D61-R65 WeakPolarHBondContact O-CG 3.1Å; D61-R65 PolarHBondContact O-N 2.74Å; D61-R65 PolarHBondContact O-NE 3.46Å
62R88.9Confident88.4Confident75 Ų7552.2 Ų52.228%0.28327%0.266SS..Hα-helixtrans-60.6-45.9171.2-179.5172.358.1-108.72111.1Q49 D54 E58 A59 F60 R65 R66Q49-R62 PolarHBondContact O-NH2 2.69Å; D54-R62 IonicContact OD1-CZ 3.78Å; D54-R62 IonicContact OD1-NH1 3.45Å; D54-R62 PolarHBondContact OD1-NH1 3.07Å; D54-R62 IonicContact OD1-NH2 3.9Å; D54-R62 IonicContact OD2-CZ 3.21Å; D54-R62 IonicContact OD2-NH1 3.33Å; D54-R62 PolarHBondContact OD2-NH1 2.7Å; D54-R62 IonicContact OD2-NH2 3.32Å; D54-R62 PolarHBondContact OD2-NH2 3.25Å; E58-R62 WeakPolarHBondContact O-CB 3.32Å; E58-R62 PolarHBondContact O-N 2.86Å; A59-R62 PolarHBondContact O-N 2.88Å; F60-R62 PolarHBondContact O-N 3.46Å; R62-R65 PolarHBondContact O-N 2.62Å; R62-R66 PolarHBondContact O-N 2.91Å
63W89.4Confident87.9Confident53 Ų5349.2 Ų49.220%0.20124%0.239CC..Hα-helixtrans-62.9-45175.3175.990.2000112.2I43 I48 A59 F60 R65 R66 R67I43-W63 PolarHBondContact O-NE1 2.98Å; I48-W63 HydrophobicContact CG1-CB 4.27Å; I48-W63 HydrophobicContact CG1-CD2 4.42Å; I48-W63 HydrophobicContact CG1-CG 4.06Å; A59-W63 PolarHBondContact O-N 2.68Å; F60-W63 HydrophobicContact CD2-CE3 4.18Å; F60-W63 AromaticContact CE2-CE3 3.9Å; F60-W63 HydrophobicContact CE2-CE3 3.9Å; F60-W63 AromaticContact CE2-CZ3 3.94Å; F60-W63 HydrophobicContact CE2-CZ3 3.94Å; F60-W63 PolarHBondContact O-N 2.79Å; W63-R65 VanDerWaalsContact C-N 3.34Å; W63-R65 PolarHBondContact O-N 3.47Å; W63-R66 PolarHBondContact O-N 3.44Å; W63-R67 PolarHBondContact O-N 2.83Å
64R87.5Confident87.4Confident42 Ų4249.4 Ų49.416%0.15823%0.227CC..Hα-helixtrans-59.2-43.8176.8-76.2177.260.2-148.78.3112.1Q20 F25 F60 D61 R67 L68Q20-R64 PolarHBondContact O-NH2 2.9Å; F25-R64 HydrophobicContact CE1-CB 3.93Å; F25-R64 HydrophobicContact CZ-CB 4.03Å; F60-R64 HydrophobicContact CD1-CG 4.38Å; F60-R64 HydrophobicContact CE1-CG 3.97Å; F60-R64 HydrophobicContact CE2-CG 4.19Å; F60-R64 HydrophobicContact CZ-CG 3.88Å; F60-R64 WeakPolarHBondContact O-CG 3.26Å; F60-R64 PolarHBondContact O-N 3.06Å; D61-R64 PolarHBondContact O-N 3.1Å; D61-R64 IonicContact OD1-CZ 3.18Å; D61-R64 IonicContact OD1-NH1 2.82Å; D61-R64 PolarHBondContact OD1-NH1 2.98Å; R64-R67 PolarHBondContact O-N 3.33Å; R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.29Å; R64-L68 PolarHBondContact O-N 2.92Å
65R85.3Confident86.6Confident76 Ų7650.8 Ų50.829%0.28725%0.251SS..Hα-helixtrans-61.1-46.1176.5-75.4-176-60.4152.80.1111.5K24 F25 V28 I31 D61 R62 W63 L68 A69K24-R65 WeakPolarHBondContact O-CD 3.32Å; K24-R65 PolarHBondContact O-NH1 3.15Å; F25-R65 HydrophobicContact CD1-CB 4.44Å; F25-R65 HydrophobicContact CD1-CG 3.38Å; F25-R65 HydrophobicContact CD2-CG 4.24Å; F25-R65 HydrophobicContact CE1-CB 4.34Å; F25-R65 HydrophobicContact CE1-CG 3.38Å; F25-R65 HydrophobicContact CE2-CG 4.24Å; F25-R65 HydrophobicContact CG-CG 3.85Å; F25-R65 HydrophobicContact CZ-CG 3.83Å; V28-R65 HydrophobicContact CG2-CB 4.21Å; V28-R65 HydrophobicContact CG2-CG 4.08Å; I31-R65 HydrophobicContact CD1-CB 4.21Å; D61-R65 WeakPolarHBondContact O-CB 3.02Å; D61-R65 VanDerWaalsContact O-CG 3.26Å; D61-R65 WeakPolarHBondContact O-CG 3.1Å; D61-R65 PolarHBondContact O-N 2.74Å; D61-R65 PolarHBondContact O-NE 3.46Å; R62-R65 PolarHBondContact O-N 2.62Å; W63-R65 VanDerWaalsContact C-N 3.34Å; W63-R65 PolarHBondContact O-N 3.47Å; R65-L68 PolarHBondContact O-N 2.66Å; R65-A69 PolarHBondContact O-N 2.86Å
66R86.4Confident85.7Confident68 Ų6850 Ų5026%0.25725%0.246SC..Hα-helixtrans-59.4-51.8174.4-175.9178168.879.9-2.6110.8F33 D37 E46 R62 W63 L68 A69 W70F33-R66 HydrophobicContact CE1-CG 3.61Å; F33-R66 VanDerWaalsContact CE1-CZ 3.49Å; F33-R66 HydrophobicContact CZ-CG 3.6Å; F33-R66 VanDerWaalsContact CZ-O 3.22Å; F33-R66 WeakPolarHBondContact CZ-O 3.31Å; D37-R66 IonicContact OD2-CZ 3.4Å; D37-R66 IonicContact OD2-NH1 3.59Å; D37-R66 IonicContact OD2-NH2 3.66Å; D37-R66 PolarHBondContact OD2-NH2 3.48Å; E46-R66 IonicContact OE1-NE 3.38Å; E46-R66 IonicContact OE1-NH2 3.58Å; E46-R66 IonicContact OE2-NE 3.28Å; E46-R66 PolarHBondContact OE2-NE 3.47Å; R62-R66 PolarHBondContact O-N 2.91Å; W63-R66 PolarHBondContact O-N 3.44Å; R66-L68 VanDerWaalsContact C-N 3.27Å; R66-L68 PolarHBondContact O-N 2.91Å; R66-A69 PolarHBondContact O-N 3.26Å; R66-W70 PolarHBondContact O-N 3.39Å
67R86.3Confident84.6Confident58 Ų5848.2 Ų48.222%0.21923%0.231CC..Hα-helixtrans-57.1-41.9179.6-178.263-172.6-96.821.1112.3D42 I43 W63 R64 W70 L71D42-R67 IonicContact OD1-CZ 2.78Å; D42-R67 IonicContact OD1-NH1 3.93Å; D42-R67 PolarHBondContact OD1-NH1 3.23Å; D42-R67 IonicContact OD1-NH2 2.72Å; D42-R67 PolarHBondContact OD1-NH2 3.04Å; I43-R67 HydrophobicContact CG2-CB 4.16Å; W63-R67 PolarHBondContact O-N 2.83Å; R64-R67 PolarHBondContact O-N 3.33Å; R67-W70 PolarHBondContact O-N 2.85Å; R67-L71 HydrophobicContact CG-CD1 4.42Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3.35Å
68L83.3Confident83.3Confident24 Ų2449.5 Ų49.513%0.12624%0.241CC..Hα-helixtrans-66.2-44.3178.417964.6000112.3Y11 L21 F25 V28 R64 R65 R66 W70 L71 R72Y11-L68 HydrophobicContact CE1-CD2 4.23Å; Y11-L68 VanDerWaalsContact OH-CD1 3.32Å; Y11-L68 WeakPolarHBondContact OH-CD1 3.5Å; Y11-L68 WeakPolarHBondContact OH-CD2 3.35Å; L21-L68 HydrophobicContact CD2-CD2 3.98Å; F25-L68 HydrophobicContact CD1-CD2 4.07Å; V28-L68 HydrophobicContact CB-CD2 4.42Å; V28-L68 HydrophobicContact CG1-CB 4.08Å; V28-L68 HydrophobicContact CG1-CD2 3.95Å; V28-L68 HydrophobicContact CG1-CG 3.87Å; V28-L68 HydrophobicContact CG2-CD2 4.08Å; R64-L68 VanDerWaalsContact O-CB 3.29Å; R64-L68 WeakPolarHBondContact O-CB 3.29Å; R64-L68 PolarHBondContact O-N 2.92Å; R65-L68 PolarHBondContact O-N 2.66Å; R66-L68 VanDerWaalsContact C-N 3.27Å; R66-L68 PolarHBondContact O-N 2.91Å; L68-W70 VanDerWaalsContact C-N 3.29Å; L68-W70 PolarHBondContact O-N 3.23Å; L68-L71 PolarHBondContact O-N 3.42Å; L68-R72 HydrophobicContact CD1-CG 4.32Å; L68-R72 VanDerWaalsContact O-CG 3.3Å; L68-R72 WeakPolarHBondContact O-CG 3.3Å; L68-R72 PolarHBondContact O-N 3.29Å
69A84.9Confident82.3Confident1 Ų147.8 Ų47.81%0.00823%0.233CC..Hα-helixtrans-58.9-43.117600000111.5V28 I31 F33 R65 R66 R72 Q73V28-A69 VanDerWaalsContact CG1-CA 3.43Å; V28-A69 HydrophobicContact CG1-CB 3.51Å; V28-A69 VanDerWaalsContact CG1-N 3.28Å; V28-A69 VanDerWaalsContact O-CB 3.31Å; V28-A69 WeakPolarHBondContact O-CB 3.38Å; I31-A69 HydrophobicContact CB-CB 3.74Å; I31-A69 HydrophobicContact CD1-CB 4.16Å; I31-A69 HydrophobicContact CG1-CB 4.43Å; I31-A69 HydrophobicContact CG2-CB 4.11Å; F33-A69 HydrophobicContact CE2-CB 3.57Å; F33-A69 HydrophobicContact CZ-CB 4.09Å; R65-A69 PolarHBondContact O-N 2.86Å; R66-A69 PolarHBondContact O-N 3.26Å; A69-R72 PolarHBondContact O-N 3.01Å; A69-Q73 PolarHBondContact O-N 3.18Å
70W85.7Confident81.6Confident12 Ų1252.1 Ų52.15%0.04526%0.26CS..Hα-helixtrans-62.2-44.9177.2176.489.2000112.8F33 D37 L38 S40 I43 R66 R67 L68 R72 R74F33-W70 HydrophobicContact CD2-CB 4.48Å; F33-W70 HydrophobicContact CE1-CB 3.97Å; F33-W70 HydrophobicContact CE2-CB 3.9Å; F33-W70 HydrophobicContact CZ-CB 3.64Å; D37-W70 PolarHBondContact O-NE1 3.36Å; L38-W70 PolarHBondContact O-NE1 2.93Å; L38-W70 VanDerWaalsContact O-NE1 3.08Å; S40-W70 WeakPolarHBondContact O-CZ2 3.45Å; I43-W70 HydrophobicContact CB-CD2 4.42Å; I43-W70 HydrophobicContact CD1-CB 3.61Å; I43-W70 HydrophobicContact CD1-CD2 4.01Å; I43-W70 HydrophobicContact CD1-CG 3.34Å; I43-W70 HydrophobicContact CG1-CD2 4.05Å; I43-W70 HydrophobicContact CG1-CG 3.92Å; R66-W70 PolarHBondContact O-N 3.39Å; R67-W70 PolarHBondContact O-N 2.85Å; L68-W70 VanDerWaalsContact C-N 3.29Å; L68-W70 PolarHBondContact O-N 3.23Å; W70-R72 VanDerWaalsContact C-N 3.33Å; W70-R72 PolarHBondContact O-N 3.31Å; W70-R74 WeakPolarHBondContact O-CG 3.23Å; W70-R74 PolarHBondContact O-N 2.94Å
71L82.9Confident81.3Confident35 Ų3552.7 Ų52.718%0.18327%0.267CS..Hα-helixtrans-59.4-45.7175.1-74.6170.6000111.1R67 L68 R74 G75 V76R67-L71 HydrophobicContact CG-CD1 4.42Å; R67-L71 WeakPolarHBondContact O-CG 3.45Å; R67-L71 PolarHBondContact O-N 3.35Å; L68-L71 PolarHBondContact O-N 3.42Å; L71-R74 PolarHBondContact O-N 3.45Å; L71-R74 VanDerWaalsContact O-N 3.16Å; L71-G75 PolarHBondContact O-N 3.23Å; L71-V76 CarbonylContact C-O 3.4Å; L71-V76 HydrophobicContact CB-CB 4.23Å; L71-V76 HydrophobicContact CD2-CB 4.08Å; L71-V76 HydrophobicContact CD2-CG1 3.9Å; L71-V76 WeakPolarHBondContact O-CA 3.47Å; L71-V76 WeakPolarHBondContact O-CB 3.4Å; L71-V76 PolarHBondContact O-N 2.99Å
72R79.4Confident81.3Confident61 Ų6152.4 Ų52.423%0.2327%0.266CS..Hα-helixtrans-65.6-41.3-177.2-72.3174.762.280.5-3.4113.1D29 L68 A69 W70 R74 G75D29-R72 IonicContact OD1-CZ 3.4Å; D29-R72 IonicContact OD1-NE 2.68Å; D29-R72 PolarHBondContact OD1-NE 3.46Å; D29-R72 IonicContact OD1-NH2 2.75Å; D29-R72 PolarHBondContact OD1-NH2 3.02Å; D29-R72 VanDerWaalsContact OD1-NH2 3.1Å; D29-R72 IonicContact OD2-CZ 3.46Å; D29-R72 IonicContact OD2-NE 3.56Å; D29-R72 IonicContact OD2-NH2 3.88Å; D29-R72 PolarHBondContact OD2-NH2 2.87Å; L68-R72 HydrophobicContact CD1-CG 4.32Å; L68-R72 VanDerWaalsContact O-CG 3.3Å; L68-R72 WeakPolarHBondContact O-CG 3.3Å; L68-R72 PolarHBondContact O-N 3.29Å; A69-R72 PolarHBondContact O-N 3.01Å; W70-R72 VanDerWaalsContact C-N 3.33Å; W70-R72 PolarHBondContact O-N 3.31Å; R72-R74 PolarHBondContact O-N 3.03Å; R72-G75 PolarHBondContact O-N 3.42Å
73Q83.2Confident81.3Confident76 Ų7650.4 Ų50.436%0.35526%0.261SS..Hα-helixtrans-62.9-24.3175.5-75.5-178.21000112.9I31 L38 A69 G75I31-Q73 PolarHBondContact O-NE2 2.84Å; L38-Q73 HydrophobicContact CD1-CB 3.77Å; A69-Q73 PolarHBondContact O-N 3.18Å; Q73-G75 VanDerWaalsContact C-N 3.29Å
74R81.7Confident81.4Confident119 Ų11949.3 Ų49.345%0.44926%0.259SS..THydrogen-bonded Turntrans-87.97.4173.8-63.5174.464.2138.9-6.3113.4L38 W70 L71 R72 V76L38-R74 HydrophobicContact CD1-CG 3.88Å; L38-R74 HydrophobicContact CG-CG 4.5Å; L38-R74 PolarHBondContact O-NH1 3.18Å; L38-R74 VanDerWaalsContact O-NH1 3.14Å; W70-R74 WeakPolarHBondContact O-CG 3.23Å; W70-R74 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 3.45Å; L71-R74 VanDerWaalsContact O-N 3.16Å; R72-R74 PolarHBondContact O-N 3.03Å; R74-V76 HydrophobicContact CB-CG2 4.2Å; R74-V76 PolarHBondContact O-N 2.98Å
75G76.1Confident81.5Confident68 Ų6849.9 Ų49.970%0.70126%0.263SS*.THydrogen-bonded Turntrans71.210.3-175.300000114L71 R72 Q73 N77L71-G75 PolarHBondContact O-N 3.23Å; R72-G75 PolarHBondContact O-N 3.42Å; Q73-G75 VanDerWaalsContact C-N 3.29Å; G75-N77 PolarHBondContact O-N 3.42Å
76V73.9Confident81.7Confident61 Ų6147.5 Ų47.537%0.3726%0.255SS..  trans-87.4102.4179.1-175.10000108.9L71 R74 A78L71-V76 CarbonylContact C-O 3.4Å; L71-V76 HydrophobicContact CB-CB 4.23Å; L71-V76 HydrophobicContact CD2-CB 4.08Å; L71-V76 HydrophobicContact CD2-CG1 3.9Å; L71-V76 WeakPolarHBondContact O-CA 3.47Å; L71-V76 WeakPolarHBondContact O-CB 3.4Å; L71-V76 PolarHBondContact O-N 2.99Å; R74-V76 HydrophobicContact CB-CG2 4.2Å; R74-V76 PolarHBondContact O-N 2.98Å; V76-A78 HydrophobicContact CG1-CB 3.88Å; V76-A78 PolarHBondContact O-N 3.42Å
77N65.9Low81.9Confident57 Ų5744.8 Ų44.831%0.30525%0.247SC..  trans-98.566.1175.1-16411.2000110.7T8 G75T8-N77 PolarHBondContact N-ND2 3.18Å; T8-N77 PolarHBondContact OG1-ND2 3.4Å; G75-N77 PolarHBondContact O-N 3.42Å
78A63.8Low81.9Confident33 Ų3344.5 Ų44.527%0.27325%0.249SC..  trans-113.5117.1-176.900000110.8V76V76-A78 HydrophobicContact CG1-CB 3.88Å; V76-A78 PolarHBondContact O-N 3.42Å
79M69.7Low81.2Confident25 Ų2547.3 Ų47.312%0.12327%0.269CS..  trans-82.8149.3158.9-68.3-139.4171.600110.3Y7 Y11 C19 L21 C81Y7-M79 HydrophobicContact CD1-CE 3.83Å; Y7-M79 HydrophobicContact CD1-CG 3.7Å; Y7-M79 HydrophobicContact CD1-SD 3.78Å; Y7-M79 HydrophobicContact CE1-CB 4.03Å; Y7-M79 HydrophobicContact CE1-CE 4.13Å; Y7-M79 HydrophobicContact CE1-CG 3.54Å; Y7-M79 HydrophobicContact CE1-SD 3.46Å; Y7-M79 WeakPolarHBondContact CE1-SD 3.36Å; Y7-M79 HydrophobicContact CE2-CB 4.49Å; Y7-M79 HydrophobicContact CG-CG 4.28Å; Y11-M79 HydrophobicContact CD2-CE 4.31Å; Y11-M79 HydrophobicContact CE2-CE 3.35Å; Y11-M79 WeakPolarHBondContact OH-CE 3.46Å; C19-M79 HydrophobicContact CB-CE 3.32Å; C19-M79 HydrophobicContact CB-SD 3.35Å; C19-M79 WeakPolarHBondContact CB-SD 3.14Å; C19-M79 WeakPolarHBondContact SG-CE 3.29Å; C19-M79 PolarHBondContact SG-SD 3.09Å; L21-M79 HydrophobicContact CD1-CE 3.68Å; M79-C81 PolarHBondContact O-N 2.92Å
80P78.6Confident80.3Confident98 Ų9852.1 Ų52.164%0.63630%0.302SS*.  trans-52.9127.9170.6-24.134.2000110.6
81C84.7Confident79.1Confident33 Ų3358.2 Ų58.222%0.22333%0.331CS..EExtended strand (participates in β ladder)trans-141.7159.5174.668.50000110.2M79 R127 F129M79-C81 PolarHBondContact O-N 2.92Å; C81-R127 CarbonylContact C-O 3.23Å; C81-R127 VanDerWaalsContact CA-O 3.22Å; C81-R127 WeakPolarHBondContact CA-O 3.32Å; C81-R127 VanDerWaalsContact CB-O 3.25Å; C81-R127 WeakPolarHBondContact CB-O 3.28Å; C81-F129 HydrophobicContact CB-CD2 4.08Å; C81-F129 HydrophobicContact CB-CE2 3.94Å
82V89.1Confident78.3Confident25 Ų2561.3 Ų61.315%0.15236%0.355CS..EExtended strand (participates in β ladder)trans-103.2117.3173.6179.80000108.1L97 I100 I126 R127 G128 F129V82-L97 HydrophobicContact CB-CD2 3.97Å; V82-L97 HydrophobicContact CG1-CD2 3.66Å; V82-I100 HydrophobicContact CG1-CD1 4.22Å; V82-I100 HydrophobicContact CG2-CG2 4.37Å; V82-I126 HydrophobicContact CG2-CD1 3.63Å; V82-I126 HydrophobicContact CG2-CG1 3.97Å; V82-R127 PolarHBondContact N-O 2.69Å; V82-G128 CarbonylContact O-C 3.6Å; V82-G128 VanDerWaalsContact O-CA 3.31Å; V82-G128 WeakPolarHBondContact O-CA 3.27Å; V82-F129 PolarHBondContact O-N 2.77Å
83L89.5Confident77.8Confident34 Ų3461.4 Ų61.418%0.17836%0.355CS..EExtended strand (participates in β ladder)trans-97.3116.3170.3-56.7-172.8000109.1F85 F129 P131 V158 Y161 F166L83-F85 HydrophobicContact CB-CD2 4.18Å; L83-F85 HydrophobicContact CB-CE2 3.57Å; L83-F85 HydrophobicContact CB-CZ 4.25Å; L83-F85 HydrophobicContact CD1-CE2 4.16Å; L83-F85 HydrophobicContact CD1-CZ 4.19Å; L83-F129 WeakPolarHBondContact CA-O 3.19Å; L83-F129 HydrophobicContact CD2-CB 3.86Å; L83-F129 HydrophobicContact CD2-CD2 4.11Å; L83-F129 HydrophobicContact CD2-CG 4.4Å; L83-P131 HydrophobicContact CB-CG 4.45Å; L83-P131 HydrophobicContact CD2-CG 4.4Å; L83-V158 HydrophobicContact CD1-CG2 4.38Å; L83-Y161 HydrophobicContact CD1-CD1 4.45Å; L83-Y161 HydrophobicContact CD1-CE1 4.11Å; L83-F166 HydrophobicContact CD1-CE1 4.25Å; L83-F166 HydrophobicContact CD1-CZ 4.34Å; L83-F166 HydrophobicContact CD2-CE1 4Å; L83-F166 HydrophobicContact CD2-CE2 3.87Å; L83-F166 HydrophobicContact CD2-CZ 3.45Å; L83-F166 VanDerWaalsContact CD2-CZ 3.45Å
84L90.8Very high77.1Confident30 Ų3063 Ų6316%0.15737%0.37CS..  trans-95.9101.9176.3-174.973.5000109.7R93 N96 F129L84-R93 HydrophobicContact CD2-CB 3.6Å; L84-R93 HydrophobicContact CD2-CG 3.75Å; L84-N96 HydrophobicContact CD2-CB 4.35Å; L84-F129 PolarHBondContact N-O 3.14Å
85F91Very high77.1Confident54 Ų5459.3 Ų59.324%0.23737%0.369CS..  trans-85.4116.3171.5-66.1-91000109.4L83 P131 V133 Y149 M170 W173L83-F85 HydrophobicContact CB-CD2 4.18Å; L83-F85 HydrophobicContact CB-CE2 3.57Å; L83-F85 HydrophobicContact CB-CZ 4.25Å; L83-F85 HydrophobicContact CD1-CE2 4.16Å; L83-F85 HydrophobicContact CD1-CZ 4.19Å; F85-P131 HydrophobicContact CE1-CG 4.46Å; F85-P131 HydrophobicContact CZ-CG 4.48Å; F85-V133 HydrophobicContact CD1-CG1 3.89Å; F85-V133 HydrophobicContact CD1-CG2 4.38Å; F85-V133 HydrophobicContact CE1-CG1 4Å; F85-Y149 HydrophobicContact CB-CD2 3.77Å; F85-Y149 HydrophobicContact CB-CE2 4.06Å; F85-Y149 HydrophobicContact CB-CG 4.39Å; F85-Y149 HydrophobicContact CD1-CG 4.49Å; F85-M170 HydrophobicContact CE1-CE 3.5Å; F85-M170 VanDerWaalsContact CE1-CE 3.5Å; F85-M170 HydrophobicContact CZ-CE 3.93Å; F85-W173 AromaticContact CD1-CZ3 3.85Å; F85-W173 HydrophobicContact CD1-CZ3 3.85Å; F85-W173 HydrophobicContact CE1-CE3 4.08Å; F85-W173 AromaticContact CE1-CH2 3.79Å; F85-W173 HydrophobicContact CE1-CH2 3.79Å; F85-W173 AromaticContact CE1-CZ3 3.31Å; F85-W173 HydrophobicContact CE1-CZ3 3.31Å; F85-W173 HydrophobicContact CZ-CH2 4.13Å; F85-W173 HydrophobicContact CZ-CZ3 4.11Å
86D89.1Confident77.6Confident25 Ų2559.6 Ų59.613%0.13436%0.355CS..  trans-129.7116.1-174.7178.714.8000109.5L88 R93D86-L88 PolarHBondContact OD1-N 3.19Å; D86-R93 IonicContact OD2-CZ 3.26Å; D86-R93 IonicContact OD2-NE 2.98Å; D86-R93 PolarHBondContact OD2-NE 3.41Å; D86-R93 IonicContact OD2-NH2 2.67Å; D86-R93 PolarHBondContact OD2-NH2 2.74Å
87S89.9Confident78.3Confident11 Ų1157.5 Ų57.58%0.07734%0.341CS..  trans-84-17.9-179.259.60000112.7V135 Q136 Y149S87-V135 WeakPolarHBondContact O-CA 3.22Å; S87-V135 VanDerWaalsContact O-CB 3.22Å; S87-V135 WeakPolarHBondContact O-CB 3.41Å; S87-Q136 VanDerWaalsContact O-CG 3.26Å; S87-Q136 WeakPolarHBondContact O-CG 3.34Å; S87-Q136 PolarHBondContact O-N 3.44Å; S87-Q136 PolarHBondContact OG-NE2 3.42Å; S87-Q136 VanDerWaalsContact OG-NE2 3.08Å; S87-Y149 VanDerWaalsContact CA-OH 3.29Å; S87-Y149 WeakPolarHBondContact CA-OH 3.3Å; S87-Y149 WeakPolarHBondContact CB-OH 3.4Å
88L87.8Confident79.4Confident53 Ų5359.9 Ų59.928%0.27735%0.35SS..SBendtrans-84.8130.3-176.3-73.2171.5000110.8D86 C90 Q136 L139D86-L88 PolarHBondContact OD1-N 3.19Å; L88-C90 PolarHBondContact O-N 2.94Å; L88-Q136 HydrophobicContact CD2-CG 4.19Å; L88-L139 HydrophobicContact CD2-CD2 3.62Å
89P68.7Low80.9Confident83 Ų8362.9 Ų62.954%0.53937%0.365SS..SBendtrans-82.847.3-178.834.7-36.5000111.8V135 Q136P89-V135 HydrophobicContact CB-CG2 4.47Å; P89-Q136 WeakPolarHBondContact CD-O 3.43Å
90C65.3Low82Confident102 Ų10264.6 Ų64.669%0.68937%0.374SS*.  trans-171100.6171.3-158.80000110.7L88L88-C90 PolarHBondContact O-N 2.94Å
91Q60.2Low82.7Confident140 Ų14061.2 Ų61.265%0.65435%0.348SS*.  trans178.5148.8152.1-100.1152.840.500112.4R93Q91-R93 PolarHBondContact O-N 2.86Å
92S66.1Low83.2Confident100 Ų10063.4 Ų63.470%0.69936%0.358SS*.  trans-68.4114160.6176.60000109
93R68.9Low83.6Confident62 Ų6269.3 Ų69.323%0.23438%0.379CS..  trans-84.2-10-173.7-69.5170-171.1153.5-1.2114.3L84 D86 Q91 G95 N96 S130L84-R93 HydrophobicContact CD2-CB 3.6Å; L84-R93 HydrophobicContact CD2-CG 3.75Å; D86-R93 IonicContact OD2-CZ 3.26Å; D86-R93 IonicContact OD2-NE 2.98Å; D86-R93 PolarHBondContact OD2-NE 3.41Å; D86-R93 IonicContact OD2-NH2 2.67Å; D86-R93 PolarHBondContact OD2-NH2 2.74Å; Q91-R93 PolarHBondContact O-N 2.86Å; R93-G95 PolarHBondContact O-N 2.95Å; R93-N96 PolarHBondContact O-N 3.34Å; R93-S130 VanDerWaalsContact CD-OG 3.28Å; R93-S130 WeakPolarHBondContact CD-OG 3.23Å
94V69Low83.9Confident110 Ų11070.3 Ų70.367%0.66738%0.384SS*.Hα-helixtrans-62.3-35.1-173.9-178.20000111.2L97 H98V94-L97 PolarHBondContact O-N 2.98Å; V94-H98 PolarHBondContact O-N 3.43Å
95G81.9Confident84.1Confident41 Ų4170.8 Ų70.842%0.42339%0.385SS..Hα-helixtrans-61.1-44.4177.400000113R93 L97 H98 V99R93-G95 PolarHBondContact O-N 2.95Å; G95-L97 VanDerWaalsContact C-N 3.33Å; G95-L97 PolarHBondContact O-N 3.45Å; G95-H98 WeakPolarHBondContact O-CB 3.36Å; G95-H98 PolarHBondContact O-N 2.97Å; G95-V99 WeakPolarHBondContact O-CG2 3.27Å; G95-V99 PolarHBondContact O-N 3.43Å
96N85.8Confident84.5Confident75 Ų7570.7 Ų70.740%0.40139%0.394SS..Hα-helixtrans-63-40.5-178.7-65.7-6.8000111.7L84 R93 H98 V99 I100L84-N96 HydrophobicContact CD2-CB 4.35Å; R93-N96 PolarHBondContact O-N 3.34Å; N96-H98 VanDerWaalsContact C-N 3.28Å; N96-H98 PolarHBondContact O-N 3.26Å; N96-V99 PolarHBondContact O-N 3.25Å; N96-I100 VanDerWaalsContact O-CG1 3.29Å; N96-I100 WeakPolarHBondContact O-CG1 3.42Å; N96-I100 PolarHBondContact O-N 3.4Å
97L88.3Confident84.9Confident16 Ų1672.3 Ų72.38%0.08440%0.401CS..Hα-helixtrans-64.6-32.7175.8-70.1173.4000112.5V82 V94 G95 R101V82-L97 HydrophobicContact CB-CD2 3.97Å; V82-L97 HydrophobicContact CG1-CD2 3.66Å; V94-L97 PolarHBondContact O-N 2.98Å; G95-L97 VanDerWaalsContact C-N 3.33Å; G95-L97 PolarHBondContact O-N 3.45Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 2.83Å; L97-R101 PolarHBondContact O-NH1 3.07Å
98H90.3Very high85.2Confident108 Ų10873 Ų7350%0.540%0.402SS..Hα-helixtrans-68.9-45.5174.7-177.762000111.4V94 G95 N96 I100 R101 N102V94-H98 PolarHBondContact O-N 3.43Å; G95-H98 WeakPolarHBondContact O-CB 3.36Å; G95-H98 PolarHBondContact O-N 2.97Å; N96-H98 VanDerWaalsContact C-N 3.28Å; N96-H98 PolarHBondContact O-N 3.26Å; H98-I100 PolarHBondContact O-N 3.26Å; H98-R101 PolarHBondContact O-N 3.35Å; H98-N102 PolarHBondContact CD2-ND2 3.27Å; H98-N102 PolarHBondContact CE1-ND2 3.4Å; H98-N102 PolarHBondContact CE1-OD1 3.47Å; H98-N102 PolarHBondContact NE2-ND2 3.44Å; H98-N102 VanDerWaalsContact O-CG 3.31Å; H98-N102 PolarHBondContact O-N 2.94Å
99V93.2Very high85.6Confident96 Ų9674 Ų7458%0.58241%0.408SS*.Hα-helixtrans-61-45.3178.3176.10000111.6G95 N96 R101 N102 Y103G95-V99 WeakPolarHBondContact O-CG2 3.27Å; G95-V99 PolarHBondContact O-N 3.43Å; N96-V99 PolarHBondContact O-N 3.25Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.28Å; V99-N102 PolarHBondContact O-N 3.44Å; V99-Y103 PolarHBondContact O-N 2.93Å
100I93.8Very high87Confident61 Ų6175.6 Ų75.631%0.31342%0.416SS..Hα-helixtrans-59.3-44.1177.8-68.4165.4000110.7V82 N96 H98 Y103 L104V82-I100 HydrophobicContact CG1-CD1 4.22Å; V82-I100 HydrophobicContact CG2-CG2 4.37Å; N96-I100 VanDerWaalsContact O-CG1 3.29Å; N96-I100 WeakPolarHBondContact O-CG1 3.42Å; N96-I100 PolarHBondContact O-N 3.4Å; H98-I100 PolarHBondContact O-N 3.26Å; I100-Y103 WeakPolarHBondContact O-CB 3.31Å; I100-Y103 PolarHBondContact O-N 2.91Å; I100-L104 HydrophobicContact CG2-CD1 4.13Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 3.5Å; I100-L104 PolarHBondContact O-N 2.79Å
101R93.6Very high88.5Confident26 Ų2679.1 Ų79.110%0.09842%0.415CS..Hα-helixtrans-65.1-42177.9-72.5-177.5-171.3110.1-3.9112.8L97 H98 V99 Y103 L104 Q105 D122 I126L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 2.83Å; L97-R101 PolarHBondContact O-NH1 3.07Å; H98-R101 PolarHBondContact O-N 3.35Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 PolarHBondContact O-N 3.28Å; R101-Y103 VanDerWaalsContact C-N 3.29Å; R101-Y103 PolarHBondContact O-N 2.9Å; R101-L104 PolarHBondContact O-N 2.92Å; R101-Q105 WeakPolarHBondContact O-CB 3.25Å; R101-Q105 PolarHBondContact O-N 3.46Å; R101-D122 VanDerWaalsContact CD-C 3.43Å; R101-D122 WeakPolarHBondContact CD-O 3.47Å; R101-D122 PolarHBondContact NE-O 2.89Å; R101-I126 HydrophobicContact CG-CG2 3.71Å; R101-I126 VanDerWaalsContact CZ-O 3.29Å; R101-I126 PolarHBondContact NE-O 3.3Å; R101-I126 PolarHBondContact NH2-O 2.82Å
102N95.3Very high90.1Very high80 Ų8077 Ų7743%0.42840%0.401SS..Hα-helixtrans-62.2-39.9176.1-68.2-11.1000111.3H98 V99 Q105 A106H98-N102 PolarHBondContact CD2-ND2 3.27Å; H98-N102 PolarHBondContact CE1-ND2 3.4Å; H98-N102 PolarHBondContact CE1-OD1 3.47Å; H98-N102 PolarHBondContact NE2-ND2 3.44Å; H98-N102 VanDerWaalsContact O-CG 3.31Å; H98-N102 PolarHBondContact O-N 2.94Å; V99-N102 PolarHBondContact O-N 3.44Å; N102-Q105 PolarHBondContact O-N 3.32Å; N102-A106 WeakPolarHBondContact O-CB 3.14Å; N102-A106 PolarHBondContact O-N 2.86Å
103Y96.5Very high91.4Very high148 Ų14873.8 Ų73.858%0.5838%0.379SS*.Hα-helixtrans-62.1-49.7173.9176.5-92.7000111.6V99 I100 R101 Q105 A106 E107V99-Y103 PolarHBondContact O-N 2.93Å; I100-Y103 WeakPolarHBondContact O-CB 3.31Å; I100-Y103 PolarHBondContact O-N 2.91Å; R101-Y103 VanDerWaalsContact C-N 3.29Å; R101-Y103 PolarHBondContact O-N 2.9Å; Y103-Q105 VanDerWaalsContact C-N 3.27Å; Y103-Q105 PolarHBondContact O-N 3.14Å; Y103-A106 PolarHBondContact O-N 3.24Å; Y103-E107 HydrophobicContact CE1-CB 4.45Å; Y103-E107 WeakPolarHBondContact O-CB 3.22Å; Y103-E107 PolarHBondContact O-N 3.39Å
104L95.7Very high92.6Very high55 Ų5575.1 Ų75.129%0.28840%0.402SS..Hα-helixtrans-58.9-40.5176.9-69173.3000111.8I100 R101 W108 F121 I126I100-L104 HydrophobicContact CG2-CD1 4.13Å; I100-L104 HydrophobicContact CG2-CG 4.46Å; I100-L104 WeakPolarHBondContact O-CG 3.5Å; I100-L104 PolarHBondContact O-N 2.79Å; R101-L104 PolarHBondContact O-N 2.92Å; L104-W108 VanDerWaalsContact O-CB 3.27Å; L104-W108 WeakPolarHBondContact O-CB 3.39Å; L104-W108 PolarHBondContact O-N 3.24Å; L104-F121 HydrophobicContact CB-CB 4.31Å; L104-F121 HydrophobicContact CB-CD1 3.96Å; L104-F121 HydrophobicContact CB-CD2 4.38Å; L104-F121 HydrophobicContact CB-CE1 4.39Å; L104-F121 HydrophobicContact CB-CG 3.95Å; L104-F121 HydrophobicContact CD1-CD1 4.26Å; L104-I126 HydrophobicContact CD1-CD1 3.84Å
105Q96.2Very high93.7Very high40 Ų4075 Ų7519%0.18740%0.395CS..Hα-helixtrans-62.3-47.1175.8-172.665.868.400111.7R101 N102 Y103 N109 L119 F121R101-Q105 WeakPolarHBondContact O-CB 3.25Å; R101-Q105 PolarHBondContact O-N 3.46Å; N102-Q105 PolarHBondContact O-N 3.32Å; Y103-Q105 VanDerWaalsContact C-N 3.27Å; Y103-Q105 PolarHBondContact O-N 3.14Å; Q105-N109 PolarHBondContact NE2-OD1 3.2Å; Q105-N109 VanDerWaalsContact O-CB 3.29Å; Q105-N109 WeakPolarHBondContact O-CB 3.47Å; Q105-N109 PolarHBondContact O-N 3.37Å; Q105-N109 PolarHBondContact O-ND2 3.35Å; Q105-N109 PolarHBondContact O-OD1 2.88Å; Q105-L119 PolarHBondContact NE2-O 3.41Å; Q105-L119 PolarHBondContact OE1-O 2.81Å; Q105-F121 HydrophobicContact CB-CB 4.46Å; Q105-F121 HydrophobicContact CB-CD2 4.29Å
106A98Very high94.3Very high52 Ų5273.1 Ų73.143%0.4338%0.375SS..Hα-helixtrans-64.8-44.6179.100000111.8N102 Y103 N109 T110N102-A106 WeakPolarHBondContact O-CB 3.14Å; N102-A106 PolarHBondContact O-N 2.86Å; Y103-A106 PolarHBondContact O-N 3.24Å; A106-N109 PolarHBondContact O-N 3.33Å; A106-T110 WeakPolarHBondContact O-CB 3.19Å; A106-T110 PolarHBondContact O-N 3.33Å; A106-T110 PolarHBondContact O-OG1 3.27Å
107E97.8Very high94.6Very high59 Ų5970.2 Ų70.228%0.27636%0.363SS..Hα-helixtrans-62.1-45.2177.7-179.270.6166.100111.1Y103 T110 R111Y103-E107 HydrophobicContact CE1-CB 4.45Å; Y103-E107 WeakPolarHBondContact O-CB 3.22Å; Y103-E107 PolarHBondContact O-N 3.39Å; E107-T110 PolarHBondContact O-N 3.48Å; E107-R111 WeakPolarHBondContact O-CB 3.42Å; E107-R111 PolarHBondContact O-N 3.3Å; E107-R111 VanDerWaalsContact OE1-CD 3.24Å; E107-R111 WeakPolarHBondContact OE1-CD 3.44Å; E107-R111 IonicContact OE1-CZ 2.88Å; E107-R111 IonicContact OE1-NE 3.74Å; E107-R111 PolarHBondContact OE1-NE 3.49Å; E107-R111 IonicContact OE1-NH1 3.34Å; E107-R111 IonicContact OE1-NH2 3.84Å; E107-R111 PolarHBondContact OE1-NH2 3.08Å; E107-R111 IonicContact OE2-CZ 3.62Å; E107-R111 IonicContact OE2-NE 2.92Å; E107-R111 PolarHBondContact OE2-NE 3.42Å; E107-R111 IonicContact OE2-NH2 2.9Å; E107-R111 PolarHBondContact OE2-NH2 3.32Å
108W96.3Very high94.7Very high26 Ų2675.6 Ų75.610%0.09840%0.396CS..Hα-helixtrans-63.2-48.1176.8-175.3-90.6000112.3F60 L104 T110 R111 R112 S113 D116 G117 L119 F121F60-W108 AromaticContact CD1-CH2 3.91Å; F60-W108 HydrophobicContact CD1-CH2 3.91Å; F60-W108 HydrophobicContact CD1-CZ2 4.2Å; F60-W108 AromaticContact CE1-CH2 3.4Å; F60-W108 HydrophobicContact CE1-CH2 3.4Å; F60-W108 AromaticContact CE1-CZ2 3.92Å; F60-W108 HydrophobicContact CE1-CZ2 3.92Å; F60-W108 HydrophobicContact CE1-CZ3 4.32Å; F60-W108 HydrophobicContact CE2-CH2 4.05Å; F60-W108 HydrophobicContact CG-CH2 4.43Å; F60-W108 AromaticContact CZ-CH2 3.47Å; F60-W108 HydrophobicContact CZ-CH2 3.47Å; F60-W108 VanDerWaalsContact CZ-CH2 3.47Å; F60-W108 HydrophobicContact CZ-CZ2 4.43Å; F60-W108 HydrophobicContact CZ-CZ3 4.03Å; L104-W108 VanDerWaalsContact O-CB 3.27Å; L104-W108 WeakPolarHBondContact O-CB 3.39Å; L104-W108 PolarHBondContact O-N 3.24Å; W108-T110 VanDerWaalsContact C-N 3.26Å; W108-T110 PolarHBondContact O-N 3.28Å; W108-R111 PolarHBondContact O-N 3Å; W108-R112 HydrophobicContact CD2-CB 3.85Å; W108-R112 HydrophobicContact CE3-CB 3.9Å; W108-R112 HydrophobicContact CE3-CG 4.17Å; W108-R112 HydrophobicContact CG-CB 4.46Å; W108-R112 HydrophobicContact CH2-CB 4.01Å; W108-R112 HydrophobicContact CZ2-CB 3.98Å; W108-R112 HydrophobicContact CZ3-CB 4Å; W108-R112 HydrophobicContact CZ3-CG 4.23Å; W108-R112 WeakPolarHBondContact O-CA 3.33Å; W108-R112 PolarHBondContact O-N 3.27Å; W108-S113 PolarHBondContact O-N 3.3Å; W108-D116 HydrophobicContact CH2-CB 3.98Å; W108-D116 HydrophobicContact CZ2-CB 3.8Å; W108-G117 PolarHBondContact NE1-O 3.32Å; W108-L119 HydrophobicContact CD2-CB 4.24Å; W108-L119 HydrophobicContact CD2-CD1 3.81Å; W108-L119 HydrophobicContact CD2-CG 4.24Å; W108-L119 VanDerWaalsContact CE2-CD1 3.45Å; W108-L119 HydrophobicContact CE3-CD1 3.97Å; W108-L119 HydrophobicContact CG-CB 4.31Å; W108-L119 HydrophobicContact CH2-CD1 3.53Å; W108-L119 HydrophobicContact CH2-CG 4.29Å; W108-L119 HydrophobicContact CZ2-CB 4.4Å; W108-L119 HydrophobicContact CZ2-CD1 3.33Å; W108-L119 HydrophobicContact CZ2-CG 3.58Å; W108-L119 HydrophobicContact CZ3-CD1 3.82Å; W108-F121 HydrophobicContact CB-CD2 4.4Å; W108-F121 HydrophobicContact CB-CE2 3.48Å; W108-F121 VanDerWaalsContact CB-CE2 3.48Å; W108-F121 HydrophobicContact CB-CZ 4.11Å; W108-F121 HydrophobicContact CD2-CE2 4.14Å; W108-F121 HydrophobicContact CD2-CZ 4.17Å; W108-F121 HydrophobicContact CE3-CZ 4.1Å; W108-F121 AromaticContact CG-CE2 3.66Å; W108-F121 HydrophobicContact CG-CE2 3.66Å; W108-F121 HydrophobicContact CG-CZ 4.16Å
109N96.8Very high94.7Very high75 Ų7571.4 Ų71.440%0.40138%0.377SS..Hα-helixtrans-57.4-44.1179.3-73-3.2000110.9Q105 A106 S113Q105-N109 PolarHBondContact NE2-OD1 3.2Å; Q105-N109 VanDerWaalsContact O-CB 3.29Å; Q105-N109 WeakPolarHBondContact O-CB 3.47Å; Q105-N109 PolarHBondContact O-N 3.37Å; Q105-N109 PolarHBondContact O-ND2 3.35Å; Q105-N109 PolarHBondContact O-OD1 2.88Å; A106-N109 PolarHBondContact O-N 3.33Å; N109-S113 PolarHBondContact O-OG 3.46Å
110T97.5Very high94.5Very high116 Ų11674.9 Ų74.971%0.71238%0.38SS*.Hα-helixtrans-72.1-44.3-176.6-54.70000112.3A106 E107 W108A106-T110 WeakPolarHBondContact O-CB 3.19Å; A106-T110 PolarHBondContact O-N 3.33Å; A106-T110 PolarHBondContact O-OG1 3.27Å; E107-T110 PolarHBondContact O-N 3.48Å; W108-T110 VanDerWaalsContact C-N 3.26Å; W108-T110 PolarHBondContact O-N 3.28Å
111R96.3Very high94.4Very high176 Ų17673.8 Ų73.866%0.66437%0.373SS*.Hα-helixtrans-102.1-24.6-167.1-58.7-163.7-169.3-155.212.5115E107 W108E107-R111 WeakPolarHBondContact O-CB 3.42Å; E107-R111 PolarHBondContact O-N 3.3Å; E107-R111 VanDerWaalsContact OE1-CD 3.24Å; E107-R111 WeakPolarHBondContact OE1-CD 3.44Å; E107-R111 IonicContact OE1-CZ 2.88Å; E107-R111 IonicContact OE1-NE 3.74Å; E107-R111 PolarHBondContact OE1-NE 3.49Å; E107-R111 IonicContact OE1-NH1 3.34Å; E107-R111 IonicContact OE1-NH2 3.84Å; E107-R111 PolarHBondContact OE1-NH2 3.08Å; E107-R111 IonicContact OE2-CZ 3.62Å; E107-R111 IonicContact OE2-NE 2.92Å; E107-R111 PolarHBondContact OE2-NE 3.42Å; E107-R111 IonicContact OE2-NH2 2.9Å; E107-R111 PolarHBondContact OE2-NH2 3.32Å; W108-R111 PolarHBondContact O-N 3Å
112R94.6Very high94.1Very high96 Ų9673.8 Ų73.836%0.36238%0.375SS..THydrogen-bonded Turntrans-129.5-32.2-165.1-54-14368.8133.12.6114.2W108 A114 Q115 D116W108-R112 HydrophobicContact CD2-CB 3.85Å; W108-R112 HydrophobicContact CE3-CB 3.9Å; W108-R112 HydrophobicContact CE3-CG 4.17Å; W108-R112 HydrophobicContact CG-CB 4.46Å; W108-R112 HydrophobicContact CH2-CB 4.01Å; W108-R112 HydrophobicContact CZ2-CB 3.98Å; W108-R112 HydrophobicContact CZ3-CB 4Å; W108-R112 HydrophobicContact CZ3-CG 4.23Å; W108-R112 WeakPolarHBondContact O-CA 3.33Å; W108-R112 PolarHBondContact O-N 3.27Å; R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 3.16Å; R112-A114 VanDerWaalsContact O-N 3.1Å; R112-Q115 PolarHBondContact O-N 3.39Å; R112-D116 HydrophobicContact CB-CB 4.43Å; R112-D116 IonicContact CZ-OD2 2.89Å; R112-D116 IonicContact NE-OD2 3.55Å; R112-D116 PolarHBondContact NE-OD2 3.14Å; R112-D116 IonicContact NH2-OD2 3.06Å; R112-D116 PolarHBondContact NH2-OD2 3.43Å; R112-D116 PolarHBondContact O-N 3.31Å
113S93.6Very high93.5Very high32 Ų3276.9 Ų76.922%0.22439%0.385CS..Hα-helixtrans-56.6-35.2-168.570.60000115.4W108 N109 Q115 G117W108-S113 PolarHBondContact O-N 3.3Å; N109-S113 PolarHBondContact O-OG 3.46Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 2.9Å; S113-G117 WeakPolarHBondContact CA-O 3.44Å; S113-G117 CarbonylContact O-C 3.59Å; S113-G117 VanDerWaalsContact O-CA 3.28Å; S113-G117 WeakPolarHBondContact O-CA 3.36Å; S113-G117 PolarHBondContact O-N 2.98Å; S113-G117 VanDerWaalsContact O-N 3.08Å
114A93.5Very high92.7Very high89 Ų8973.1 Ų73.174%0.73638%0.375SS*.Hα-helixtrans-67-32.1178.800000113.3R112R112-A114 VanDerWaalsContact C-N 3.27Å; R112-A114 PolarHBondContact O-N 3.16Å; R112-A114 VanDerWaalsContact O-N 3.1Å
115Q93.5Very high92Very high107 Ų10771.5 Ų71.550%0.537%0.367SS..Hα-helixtrans-100.1-43.1-177.7-174.7175.643.600112.2R50 G57 R112 S113R50-Q115 VanDerWaalsContact NE-NE2 3.19Å; G57-Q115 PolarHBondContact N-O 3.34Å; R112-Q115 PolarHBondContact O-N 3.39Å; S113-Q115 VanDerWaalsContact C-N 3.33Å; S113-Q115 PolarHBondContact O-N 2.9Å
116D93.8Very high91.5Very high3 Ų370.5 Ų70.52%0.01636%0.362CS..Hα-helixtrans-105.410.6-170.3-58.1-38000112.7R50 G57 F60 W108 R112R50-D116 IonicContact CZ-OD1 2.8Å; R50-D116 IonicContact NH2-OD1 2.69Å; R50-D116 PolarHBondContact NH2-OD1 3.28Å; R50-D116 IonicContact NH2-OD2 3.8Å; G57-D116 WeakPolarHBondContact CA-O 3.26Å; F60-D116 HydrophobicContact CB-CB 3.84Å; F60-D116 HydrophobicContact CD1-CB 4.23Å; F60-D116 HydrophobicContact CG-CB 3.95Å; W108-D116 HydrophobicContact CH2-CB 3.98Å; W108-D116 HydrophobicContact CZ2-CB 3.8Å; R112-D116 HydrophobicContact CB-CB 4.43Å; R112-D116 IonicContact CZ-OD2 2.89Å; R112-D116 IonicContact NE-OD2 3.55Å; R112-D116 PolarHBondContact NE-OD2 3.14Å; R112-D116 IonicContact NH2-OD2 3.06Å; R112-D116 PolarHBondContact NH2-OD2 3.43Å; R112-D116 PolarHBondContact O-N 3.31Å
117G91.7Very high90.8Very high14 Ų1471.5 Ų71.514%0.14436%0.355CS..  trans80170.7175.100000113.8W108 S113W108-G117 PolarHBondContact NE1-O 3.32Å; S113-G117 WeakPolarHBondContact CA-O 3.44Å; S113-G117 CarbonylContact O-C 3.59Å; S113-G117 VanDerWaalsContact O-CA 3.28Å; S113-G117 WeakPolarHBondContact O-CA 3.36Å; S113-G117 PolarHBondContact O-N 2.98Å; S113-G117 VanDerWaalsContact O-N 3.08Å
118V90.6Very high90.3Very high128 Ų12869.7 Ų69.778%0.77635%0.353SS*.  trans-77.9127.6-178-178.70000109.9
119L89.5Confident89.8Confident20 Ų2069.6 Ų69.611%0.10535%0.353CS..  trans-119.7152167.3-66.2-176.4000110.4F60 Q105 W108 F121F60-L119 HydrophobicContact CE1-CD1 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.39Å; Q105-L119 PolarHBondContact NE2-O 3.41Å; Q105-L119 PolarHBondContact OE1-O 2.81Å; W108-L119 HydrophobicContact CD2-CB 4.24Å; W108-L119 HydrophobicContact CD2-CD1 3.81Å; W108-L119 HydrophobicContact CD2-CG 4.24Å; W108-L119 VanDerWaalsContact CE2-CD1 3.45Å; W108-L119 HydrophobicContact CE3-CD1 3.97Å; W108-L119 HydrophobicContact CG-CB 4.31Å; W108-L119 HydrophobicContact CH2-CD1 3.53Å; W108-L119 HydrophobicContact CH2-CG 4.29Å; W108-L119 HydrophobicContact CZ2-CB 4.4Å; W108-L119 HydrophobicContact CZ2-CD1 3.33Å; W108-L119 HydrophobicContact CZ2-CG 3.58Å; W108-L119 HydrophobicContact CZ3-CD1 3.82Å; L119-F121 HydrophobicContact CB-CE2 3.88Å; L119-F121 HydrophobicContact CB-CZ 4.18Å; L119-F121 HydrophobicContact CD1-CZ 4.08Å
120R89.8Confident89.4Confident170 Ų17067.4 Ų67.464%0.64234%0.343SS*.  trans-119.6115.3-178.6179.6174170.7159.40.9111.2Q20 D122 T125Q20-R120 PolarHBondContact NE2-O 3.18Å; R120-D122 WeakPolarHBondContact CD-OD2 3.44Å; R120-D122 IonicContact CZ-OD2 2.76Å; R120-D122 IonicContact NE-OD2 3.39Å; R120-D122 PolarHBondContact NE-OD2 3.23Å; R120-D122 IonicContact NH2-OD2 3.61Å; R120-D122 PolarHBondContact NH2-OD2 2.97Å; R120-T125 VanDerWaalsContact O-CB 3.3Å; R120-T125 WeakPolarHBondContact O-CB 3.36Å; R120-T125 VanDerWaalsContact O-CG2 3.31Å; R120-T125 WeakPolarHBondContact O-CG2 3.5Å; R120-T125 PolarHBondContact O-OG1 3.37Å
121F90.9Very high89Confident37 Ų3761.9 Ų61.916%0.16231%0.31CS..  trans-97.9100179.7-60.7-91.4000110.4L104 Q105 W108 L119 I126L104-F121 HydrophobicContact CB-CB 4.31Å; L104-F121 HydrophobicContact CB-CD1 3.96Å; L104-F121 HydrophobicContact CB-CD2 4.38Å; L104-F121 HydrophobicContact CB-CE1 4.39Å; L104-F121 HydrophobicContact CB-CG 3.95Å; L104-F121 HydrophobicContact CD1-CD1 4.26Å; Q105-F121 HydrophobicContact CB-CB 4.46Å; Q105-F121 HydrophobicContact CB-CD2 4.29Å; W108-F121 HydrophobicContact CB-CD2 4.4Å; W108-F121 HydrophobicContact CB-CE2 3.48Å; W108-F121 VanDerWaalsContact CB-CE2 3.48Å; W108-F121 HydrophobicContact CB-CZ 4.11Å; W108-F121 HydrophobicContact CD2-CE2 4.14Å; W108-F121 HydrophobicContact CD2-CZ 4.17Å; W108-F121 HydrophobicContact CE3-CZ 4.1Å; W108-F121 AromaticContact CG-CE2 3.66Å; W108-F121 HydrophobicContact CG-CE2 3.66Å; W108-F121 HydrophobicContact CG-CZ 4.16Å; L119-F121 HydrophobicContact CB-CE2 3.88Å; L119-F121 HydrophobicContact CB-CZ 4.18Å; L119-F121 HydrophobicContact CD1-CZ 4.08Å; F121-I126 HydrophobicContact CB-CG2 4.27Å; F121-I126 HydrophobicContact CD1-CG2 4.37Å
122D87.5Confident88.8Confident27 Ų2761 Ų6114%0.14431%0.306CS..SBendtrans-137.9-170.6-179.968.230.6000112.4R101 R120 D124 T125 I126R101-D122 VanDerWaalsContact CD-C 3.43Å; R101-D122 WeakPolarHBondContact CD-O 3.47Å; R101-D122 PolarHBondContact NE-O 2.89Å; R120-D122 WeakPolarHBondContact CD-OD2 3.44Å; R120-D122 IonicContact CZ-OD2 2.76Å; R120-D122 IonicContact NE-OD2 3.39Å; R120-D122 PolarHBondContact NE-OD2 3.23Å; R120-D122 IonicContact NH2-OD2 3.61Å; R120-D122 PolarHBondContact NH2-OD2 2.97Å; D122-D124 PolarHBondContact O-N 3.31Å; D122-D124 WeakPolarHBondContact OD1-CA 3.24Å; D122-D124 WeakPolarHBondContact OD1-CB 3.29Å; D122-D124 PolarHBondContact OD1-N 2.8Å; D122-T125 PolarHBondContact N-OG1 3.45Å; D122-T125 PolarHBondContact OD1-N 3.31Å; D122-T125 PolarHBondContact OD1-OG1 2.98Å; D122-I126 CarbonylContact O-C 3.48Å; D122-I126 WeakPolarHBondContact O-CG2 3.48Å; D122-I126 PolarHBondContact O-N 3.04Å
123K83.9Confident88.7Confident145 Ų14556.8 Ų56.863%0.6329%0.291SS*.THydrogen-bonded Turntrans-65.3-24.6-176.168.4-179.3-177.9-179.20113.5R127K123-R127 WeakPolarHBondContact O-CG 3.4Å
124D80Confident88.7Confident69 Ų6956.1 Ų56.137%0.36929%0.286SS..THydrogen-bonded Turntrans-90.1-47.4-176.6-59.3-48.8000108.3L18 D122L18-D124 HydrophobicContact CD2-CB 3.93Å; L18-D124 CarbonylContact O-C 3.19Å; L18-D124 VanDerWaalsContact O-C 3.23Å; D122-D124 PolarHBondContact O-N 3.31Å; D122-D124 WeakPolarHBondContact OD1-CA 3.24Å; D122-D124 WeakPolarHBondContact OD1-CB 3.29Å; D122-D124 PolarHBondContact OD1-N 2.8Å
125T80.4Confident88.6Confident20 Ų2054.6 Ų54.612%0.12327%0.267CS..THydrogen-bonded Turntrans-75.7-36.2-175.4640000115.5Q20 R120 D122Q20-T125 VanDerWaalsContact CG-CB 3.5Å; Q20-T125 HydrophobicContact CG-CG2 3.29Å; Q20-T125 VanDerWaalsContact NE2-CB 3.29Å; Q20-T125 PolarHBondContact NE2-OG1 3.25Å; R120-T125 VanDerWaalsContact O-CB 3.3Å; R120-T125 WeakPolarHBondContact O-CB 3.36Å; R120-T125 VanDerWaalsContact O-CG2 3.31Å; R120-T125 WeakPolarHBondContact O-CG2 3.5Å; R120-T125 PolarHBondContact O-OG1 3.37Å; D122-T125 PolarHBondContact N-OG1 3.45Å; D122-T125 PolarHBondContact OD1-N 3.31Å; D122-T125 PolarHBondContact OD1-OG1 2.98Å
126I85.6Confident88.5Confident19 Ų1949.6 Ų49.610%0.09724%0.244CC..SBendtrans-129.690.2173.3-169.7175000108.9V82 R101 L104 F121 D122 G128V82-I126 HydrophobicContact CG2-CD1 3.63Å; V82-I126 HydrophobicContact CG2-CG1 3.97Å; R101-I126 HydrophobicContact CG-CG2 3.71Å; R101-I126 VanDerWaalsContact CZ-O 3.29Å; R101-I126 PolarHBondContact NE-O 3.3Å; R101-I126 PolarHBondContact NH2-O 2.82Å; L104-I126 HydrophobicContact CD1-CD1 3.84Å; F121-I126 HydrophobicContact CB-CG2 4.27Å; F121-I126 HydrophobicContact CD1-CG2 4.37Å; D122-I126 CarbonylContact O-C 3.48Å; D122-I126 WeakPolarHBondContact O-CG2 3.48Å; D122-I126 PolarHBondContact O-N 3.04Å; I126-G128 PolarHBondContact O-N 3.36Å
127R83.7Confident88.3Confident73 Ų7354.3 Ų54.328%0.27528%0.278SS..EExtended strand (participates in β ladder)trans-66138.2-177.9-63-174.773.6-172.31.2110.1Y7 C81 V82 K123 F129Y7-R127 VanDerWaalsContact OH-CD 3.23Å; Y7-R127 WeakPolarHBondContact OH-CD 3.5Å; C81-R127 CarbonylContact C-O 3.23Å; C81-R127 VanDerWaalsContact CA-O 3.22Å; C81-R127 WeakPolarHBondContact CA-O 3.32Å; C81-R127 VanDerWaalsContact CB-O 3.25Å; C81-R127 WeakPolarHBondContact CB-O 3.28Å; V82-R127 PolarHBondContact N-O 2.69Å; K123-R127 WeakPolarHBondContact O-CG 3.4Å; R127-F129 HydrophobicContact CB-CD2 4.48Å; R127-F129 HydrophobicContact CB-CE2 3.61Å; R127-F129 HydrophobicContact CB-CZ 3.84Å
128G86.2Confident88.2Confident22 Ų2256.2 Ų56.223%0.22728%0.284CS..EExtended strand (participates in β ladder)trans-109.7132.5177.800000109.2V82 I126V82-G128 CarbonylContact O-C 3.6Å; V82-G128 VanDerWaalsContact O-CA 3.31Å; V82-G128 WeakPolarHBondContact O-CA 3.27Å; I126-G128 PolarHBondContact O-N 3.36Å
129F86Confident88.2Confident24 Ų2457 Ų5711%0.10528%0.283CS..EExtended strand (participates in β ladder)trans-125.7145177.8-57.9-86.2000109.3C81 V82 L83 L84 R127 P131 F166C81-F129 HydrophobicContact CB-CD2 4.08Å; C81-F129 HydrophobicContact CB-CE2 3.94Å; V82-F129 PolarHBondContact O-N 2.77Å; L83-F129 WeakPolarHBondContact CA-O 3.19Å; L83-F129 HydrophobicContact CD2-CB 3.86Å; L83-F129 HydrophobicContact CD2-CD2 4.11Å; L83-F129 HydrophobicContact CD2-CG 4.4Å; L84-F129 PolarHBondContact N-O 3.14Å; R127-F129 HydrophobicContact CB-CD2 4.48Å; R127-F129 HydrophobicContact CB-CE2 3.61Å; R127-F129 HydrophobicContact CB-CZ 3.84Å; F129-P131 WeakPolarHBondContact O-CD 3.47Å; F129-F166 HydrophobicContact CB-CD2 3.69Å; F129-F166 HydrophobicContact CB-CE2 3.68Å; F129-F166 AromaticContact CD1-CD2 3.78Å; F129-F166 HydrophobicContact CD1-CD2 3.78Å; F129-F166 AromaticContact CD1-CE2 3.79Å; F129-F166 HydrophobicContact CD1-CE2 3.79Å; F129-F166 HydrophobicContact CD2-CD2 4.45Å; F129-F166 AromaticContact CD2-CE2 3.72Å; F129-F166 HydrophobicContact CD2-CE2 3.72Å; F129-F166 HydrophobicContact CE1-CE2 4.34Å; F129-F166 HydrophobicContact CE2-CE2 4.28Å; F129-F166 AromaticContact CG-CD2 3.73Å; F129-F166 HydrophobicContact CG-CD2 3.73Å; F129-F166 AromaticContact CG-CE2 3.44Å; F129-F166 HydrophobicContact CG-CE2 3.44Å; F129-F166 VanDerWaalsContact CG-CE2 3.44Å
130S88.2Confident88.3Confident28 Ų2860.9 Ų60.920%0.19631%0.308CS..  trans-11492.4169.1-60.30000108R93 Q167R93-S130 VanDerWaalsContact CD-OG 3.28Å; R93-S130 WeakPolarHBondContact CD-OG 3.23Å; S130-Q167 PolarHBondContact O-NE2 3.22Å
131P90Very high88.4Confident1 Ų154.3 Ų54.31%0.00629%0.286CS..  trans-56.1140.4174-23.834.8000111.5L83 F85 F129 V133 F166 M170L83-P131 HydrophobicContact CB-CG 4.45Å; L83-P131 HydrophobicContact CD2-CG 4.4Å; F85-P131 HydrophobicContact CE1-CG 4.46Å; F85-P131 HydrophobicContact CZ-CG 4.48Å; F129-P131 WeakPolarHBondContact O-CD 3.47Å; P131-V133 HydrophobicContact CB-CG1 4.14Å; P131-V133 PolarHBondContact O-N 3.25Å; P131-F166 WeakPolarHBondContact CA-O 3.43Å; P131-F166 HydrophobicContact CB-CB 4.19Å; P131-F166 HydrophobicContact CB-CD1 4.35Å; P131-F166 HydrophobicContact CB-CG 4.46Å; P131-F166 HydrophobicContact CG-CB 4.37Å; P131-F166 HydrophobicContact CG-CD1 4Å; P131-F166 HydrophobicContact CG-CE1 4.5Å; P131-F166 HydrophobicContact CG-CG 4.17Å; P131-M170 HydrophobicContact CB-CB 4.32Å; P131-M170 HydrophobicContact CB-CE 4.07Å; P131-M170 HydrophobicContact CB-SD 3.56Å; P131-M170 VanDerWaalsContact CB-SD 3.56Å; P131-M170 HydrophobicContact CG-SD 3.98Å
132R91.1Very high88.5Confident156 Ų15655.6 Ų55.659%0.58930%0.298SS*.  trans-75.9111.3168-174.8175.3-176175.41.7106.2F166 M170 A171R132-F166 PolarHBondContact N-O 3.06Å; R132-M170 CarbonylContact O-C 3.17Å; R132-M170 VanDerWaalsContact O-CB 3.26Å; R132-M170 WeakPolarHBondContact O-CB 3.04Å; R132-A171 HydrophobicContact CB-CB 4.41Å; R132-A171 HydrophobicContact CG-CB 3.91Å; R132-A171 WeakPolarHBondContact O-CA 3.33Å; R132-A171 PolarHBondContact O-N 2.94Å
133V92.5Very high88.8Confident9 Ų956 Ų566%0.05531%0.308CS..  trans-124.5162.7179.6-71.70000109.9F85 P131 V135 Y149 M170 W173F85-V133 HydrophobicContact CD1-CG1 3.89Å; F85-V133 HydrophobicContact CD1-CG2 4.38Å; F85-V133 HydrophobicContact CE1-CG1 4Å; P131-V133 HydrophobicContact CB-CG1 4.14Å; P131-V133 PolarHBondContact O-N 3.25Å; V133-V135 WeakPolarHBondContact O-CG1 3.21Å; V133-V135 PolarHBondContact O-N 3.21Å; V133-Y149 HydrophobicContact CB-CE1 4.16Å; V133-Y149 HydrophobicContact CG2-CE1 3.96Å; V133-M170 HydrophobicContact CG1-CB 4.2Å; V133-M170 HydrophobicContact CG1-CE 3.99Å; V133-W173 HydrophobicContact CG1-CE3 3.97Å
134P93.4Very high89.3Confident17 Ų1749.9 Ų49.911%0.1128%0.282CS..  trans-55.1133.7171.7-23.432.5000110.8Y145 Y149 F174P134-Y145 WeakPolarHBondContact O-CE1 3.47Å; P134-Y149 PolarHBondContact O-OH 2.93Å; P134-F174 HydrophobicContact CB-CD2 4.16Å; P134-F174 HydrophobicContact CB-CE1 4.24Å; P134-F174 HydrophobicContact CB-CE2 3.57Å; P134-F174 HydrophobicContact CB-CZ 3.63Å; P134-F174 HydrophobicContact CG-CD1 4.05Å; P134-F174 HydrophobicContact CG-CD2 4.02Å; P134-F174 HydrophobicContact CG-CE1 3.87Å; P134-F174 HydrophobicContact CG-CE2 3.84Å; P134-F174 HydrophobicContact CG-CG 4.14Å; P134-F174 HydrophobicContact CG-CZ 3.78Å; P134-F174 VanDerWaalsContact CG-O 3.25Å; P134-F174 WeakPolarHBondContact CG-O 3.35Å
135V92.5Very high90.1Very high57 Ų5746.8 Ų46.835%0.34527%0.266SS..  trans-116.1156.2-173.7-69.10000110.6S87 P89 V133 Y145S87-V135 WeakPolarHBondContact O-CA 3.22Å; S87-V135 VanDerWaalsContact O-CB 3.22Å; S87-V135 WeakPolarHBondContact O-CB 3.41Å; P89-V135 HydrophobicContact CB-CG2 4.47Å; V133-V135 WeakPolarHBondContact O-CG1 3.21Å; V133-V135 PolarHBondContact O-N 3.21Å; V135-Y145 PolarHBondContact O-OH 3.33Å; V135-Y145 VanDerWaalsContact O-OH 3.1Å
136Q92.1Very high90.7Very high2 Ų251 Ų511%0.00929%0.287CS..  trans-77148.117352.8-176.7-32.100111.3S87 L88 P89 N138 D141 C142 Y145S87-Q136 VanDerWaalsContact O-CG 3.26Å; S87-Q136 WeakPolarHBondContact O-CG 3.34Å; S87-Q136 PolarHBondContact O-N 3.44Å; S87-Q136 PolarHBondContact OG-NE2 3.42Å; S87-Q136 VanDerWaalsContact OG-NE2 3.08Å; L88-Q136 HydrophobicContact CD2-CG 4.19Å; P89-Q136 WeakPolarHBondContact CD-O 3.43Å; Q136-N138 WeakPolarHBondContact CG-O 3.47Å; Q136-N138 PolarHBondContact OE1-O 3.1Å; Q136-N138 PolarHBondContact OE1-OD1 3.16Å; Q136-D141 HydrophobicContact CB-CB 4.42Å; Q136-D141 VanDerWaalsContact OE1-C 3.23Å; Q136-C142 VanDerWaalsContact NE2-CA 3.28Å; Q136-C142 VanDerWaalsContact NE2-CB 3.34Å; Q136-Y145 HydrophobicContact CB-CD2 3.79Å; Q136-Y145 HydrophobicContact CB-CE2 3.43Å; Q136-Y145 VanDerWaalsContact CB-CE2 3.43Å
137S89.5Confident91.2Very high103 Ų10355 Ų5572%0.7231%0.308SS*.SBendtrans-85.5-8.917051.40000113.7
138N89.9Confident91.8Very high53 Ų5351.7 Ų51.728%0.28330%0.295SS..SBendtrans-124.9-175-177.26762000112Q136 V140 D141Q136-N138 WeakPolarHBondContact CG-O 3.47Å; Q136-N138 PolarHBondContact OE1-O 3.1Å; Q136-N138 PolarHBondContact OE1-OD1 3.16Å; N138-V140 HydrophobicContact CB-CG2 4.48Å; N138-V140 WeakPolarHBondContact OD1-CG2 3.22Å; N138-V140 PolarHBondContact OD1-N 3.43Å; N138-D141 PolarHBondContact ND2-OD2 3.45Å; N138-D141 WeakPolarHBondContact OD1-CB 3.28Å; N138-D141 PolarHBondContact OD1-N 3.31Å; N138-D141 PolarHBondContact OD1-OD2 3.38Å
139L89.8Confident92.2Very high144 Ų14451.2 Ų51.275%0.75429%0.287SS*.SBendtrans-111.28.1-178-58.4-179.1000113.6L88L88-L139 HydrophobicContact CD2-CD2 3.62Å
140V91.1Very high92.7Very high103 Ų10353.7 Ų53.762%0.62430%0.304SS*.SBendtrans-117.8-7.2-171.2-61.30000113.5N138 R183N138-V140 HydrophobicContact CB-CG2 4.48Å; N138-V140 WeakPolarHBondContact OD1-CG2 3.22Å; N138-V140 PolarHBondContact OD1-N 3.43Å; V140-R183 PolarHBondContact O-NH2 3.19Å
141D92.7Very high93Very high32 Ų3254.8 Ų54.817%0.17131%0.306CS..  trans-102.48.6-178-73.1-31.3000113.5Q136 N138 G143 I144 Y145 R183Q136-D141 HydrophobicContact CB-CB 4.42Å; Q136-D141 VanDerWaalsContact OE1-C 3.23Å; N138-D141 PolarHBondContact ND2-OD2 3.45Å; N138-D141 WeakPolarHBondContact OD1-CB 3.28Å; N138-D141 PolarHBondContact OD1-N 3.31Å; N138-D141 PolarHBondContact OD1-OD2 3.38Å; D141-G143 VanDerWaalsContact C-N 3.25Å; D141-G143 PolarHBondContact O-N 2.9Å; D141-I144 HydrophobicContact CB-CB 4.49Å; D141-I144 WeakPolarHBondContact O-CA 3.36Å; D141-I144 WeakPolarHBondContact O-CB 3.44Å; D141-I144 PolarHBondContact O-N 3.32Å; D141-Y145 HydrophobicContact CB-CD2 4.12Å; D141-Y145 HydrophobicContact CB-CE2 4.29Å; D141-Y145 WeakPolarHBondContact O-CD2 3.26Å; D141-Y145 PolarHBondContact O-N 3.24Å; D141-R183 IonicContact OD1-CZ 2.6Å; D141-R183 VanDerWaalsContact OD1-CZ 3.26Å; D141-R183 IonicContact OD1-NE 2.67Å; D141-R183 PolarHBondContact OD1-NE 2.95Å; D141-R183 IonicContact OD1-NH2 3.22Å; D141-R183 PolarHBondContact OD1-NH2 3.28Å
142C92.5Very high93.2Very high64 Ų6455.8 Ų55.843%0.43231%0.311SS..Hα-helixtrans-53.8-42.3-179.659.30000112.5Q136 Y145 L146Q136-C142 VanDerWaalsContact NE2-CA 3.28Å; Q136-C142 VanDerWaalsContact NE2-CB 3.34Å; C142-Y145 PolarHBondContact O-N 2.94Å; C142-L146 WeakPolarHBondContact O-CB 3.26Å; C142-L146 PolarHBondContact O-N 3.03Å
143G93.7Very high93.2Very high34 Ų3452.5 Ų52.535%0.35130%0.301SS..Hα-helixtrans-66.4-34.9176.800000113D141 L147D141-G143 VanDerWaalsContact C-N 3.25Å; D141-G143 PolarHBondContact O-N 2.9Å; G143-L147 VanDerWaalsContact O-CG 3.3Å; G143-L147 WeakPolarHBondContact O-CG 3.22Å; G143-L147 PolarHBondContact O-N 3.02Å; G143-L147 VanDerWaalsContact O-N 3.1Å
144I95.4Very high93.2Very high17 Ų1759.9 Ų59.99%0.08733%0.332CS..Hα-helixtrans-69.5-43.9177.4-51.9-60000110.1D141 L147 H148 V179 K182 R183 I186D141-I144 HydrophobicContact CB-CB 4.49Å; D141-I144 WeakPolarHBondContact O-CA 3.36Å; D141-I144 WeakPolarHBondContact O-CB 3.44Å; D141-I144 PolarHBondContact O-N 3.32Å; I144-L147 PolarHBondContact O-N 2.97Å; I144-H148 WeakPolarHBondContact O-CB 3.43Å; I144-H148 PolarHBondContact O-N 2.81Å; I144-V179 HydrophobicContact CB-CG1 4.2Å; I144-V179 HydrophobicContact CG2-CG1 3.49Å; I144-V179 VanDerWaalsContact CG2-CG1 3.49Å; I144-K182 HydrophobicContact CG2-CB 3.4Å; I144-K182 HydrophobicContact CG2-CG 4.06Å; I144-R183 HydrophobicContact CD1-CG 3.7Å; I144-R183 HydrophobicContact CG1-CG 4.06Å; I144-I186 HydrophobicContact CD1-CD1 3.93Å
145Y95.2Very high93.2Very high5 Ų565.9 Ų65.92%0.0236%0.357CS..Hα-helixtrans-63.5-41.7175.1-86.7-95.5000112.1P134 V135 Q136 D141 C142 L147 H148 Y149 F174 V179P134-Y145 WeakPolarHBondContact O-CE1 3.47Å; V135-Y145 PolarHBondContact O-OH 3.33Å; V135-Y145 VanDerWaalsContact O-OH 3.1Å; Q136-Y145 HydrophobicContact CB-CD2 3.79Å; Q136-Y145 HydrophobicContact CB-CE2 3.43Å; Q136-Y145 VanDerWaalsContact CB-CE2 3.43Å; D141-Y145 HydrophobicContact CB-CD2 4.12Å; D141-Y145 HydrophobicContact CB-CE2 4.29Å; D141-Y145 WeakPolarHBondContact O-CD2 3.26Å; D141-Y145 PolarHBondContact O-N 3.24Å; C142-Y145 PolarHBondContact O-N 2.94Å; Y145-L147 PolarHBondContact O-N 3.37Å; Y145-H148 PolarHBondContact O-N 3.39Å; Y145-Y149 HydrophobicContact CD1-CE1 4.04Å; Y145-Y149 AromaticContact CD1-CZ 3.87Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.4Å; Y145-F174 HydrophobicContact CD1-CE2 4.48Å; Y145-F174 HydrophobicContact CD1-CZ 4.12Å; Y145-F174 HydrophobicContact CE1-CE2 4.1Å; Y145-F174 HydrophobicContact CE1-CZ 4.11Å; Y145-V179 HydrophobicContact CD1-CG2 4.48Å; Y145-V179 HydrophobicContact CD2-CG1 3.84Å; Y145-V179 HydrophobicContact CE1-CG2 4.09Å; Y145-V179 HydrophobicContact CE2-CB 4.26Å; Y145-V179 HydrophobicContact CE2-CG1 3.59Å; Y145-V179 HydrophobicContact CE2-CG2 4.38Å; Y145-V179 HydrophobicContact CG-CG1 4.48Å
146L94.8Very high93.1Very high108 Ų10868 Ų6857%0.56536%0.361SS*.Hα-helixtrans-55.6-52.4174.8175.165000111.3C142 H148 Y149 V150C142-L146 WeakPolarHBondContact O-CB 3.26Å; C142-L146 PolarHBondContact O-N 3.03Å; L146-H148 VanDerWaalsContact C-N 3.26Å; L146-H148 PolarHBondContact O-N 3.07Å; L146-Y149 PolarHBondContact O-N 2.95Å; L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 2.97Å; L146-V150 VanDerWaalsContact O-N 3.11Å
147L95.9Very high92.9Very high102 Ų10270.9 Ų70.953%0.53438%0.381SS..Hα-helixtrans-60.2-39.5178.6-68.8174.2000111.6G143 I144 Y145 V150 E151 I186G143-L147 VanDerWaalsContact O-CG 3.3Å; G143-L147 WeakPolarHBondContact O-CG 3.22Å; G143-L147 PolarHBondContact O-N 3.02Å; G143-L147 VanDerWaalsContact O-N 3.1Å; I144-L147 PolarHBondContact O-N 2.97Å; Y145-L147 PolarHBondContact O-N 3.37Å; L147-V150 PolarHBondContact O-N 3.38Å; L147-E151 PolarHBondContact O-N 2.65Å; L147-I186 HydrophobicContact CD1-CD1 3.85Å
148H95.7Very high92.7Very high4 Ų466.5 Ų66.52%0.01935%0.349CS..Hα-helixtrans-72.7-36.5179.8-165.346.3000112.9I144 Y145 L146 V150 E151 M152 F174 K182I144-H148 WeakPolarHBondContact O-CB 3.43Å; I144-H148 PolarHBondContact O-N 2.81Å; Y145-H148 PolarHBondContact O-N 3.39Å; L146-H148 VanDerWaalsContact C-N 3.26Å; L146-H148 PolarHBondContact O-N 3.07Å; H148-V150 VanDerWaalsContact C-N 3.3Å; H148-V150 PolarHBondContact O-N 3.17Å; H148-E151 IonicContact CE1-OE2 3.1Å; H148-E151 IonicContact ND1-OE2 2.69Å; H148-E151 PolarHBondContact ND1-OE2 3.31Å; H148-E151 PolarHBondContact O-N 3.43Å; H148-M152 WeakPolarHBondContact O-CB 3.36Å; H148-M152 VanDerWaalsContact O-CG 3.22Å; H148-M152 WeakPolarHBondContact O-CG 3.29Å; H148-M152 PolarHBondContact O-N 3.45Å; H148-F174 AromaticContact CD2-CD1 3.89Å; H148-F174 AromaticContact CD2-CD2 3.47Å; H148-F174 VanDerWaalsContact CD2-CD2 3.47Å; H148-F174 WeakPolarHBondContact CD2-CD2 3.46Å; H148-F174 AromaticContact CD2-CE1 3.9Å; H148-F174 AromaticContact CD2-CE2 3.48Å; H148-F174 VanDerWaalsContact CD2-CE2 3.48Å; H148-F174 WeakPolarHBondContact CD2-CE2 3.3Å; H148-F174 AromaticContact CD2-CG 3.67Å; H148-F174 AromaticContact CD2-CZ 3.69Å; H148-F174 AromaticContact NE2-CD1 3.92Å; H148-F174 AromaticContact NE2-CD2 3.46Å; H148-F174 WeakPolarHBondContact NE2-CD2 3.49Å; H148-F174 AromaticContact NE2-CG 3.41Å; H148-F174 WeakPolarHBondContact NE2-CG 3.46Å; H148-K182 WeakPolarHBondContact ND1-CE 3.35Å
149Y95.3Very high92.5Very high13 Ų1370.6 Ų70.65%0.05137%0.367CS..Hα-helixtrans-59.1-43171.9-64.9-29.2000111.4F85 S87 V133 P134 Y145 L146 M152 F153 W173 F174F85-Y149 HydrophobicContact CB-CD2 3.77Å; F85-Y149 HydrophobicContact CB-CE2 4.06Å; F85-Y149 HydrophobicContact CB-CG 4.39Å; F85-Y149 HydrophobicContact CD1-CG 4.49Å; S87-Y149 VanDerWaalsContact CA-OH 3.29Å; S87-Y149 WeakPolarHBondContact CA-OH 3.3Å; S87-Y149 WeakPolarHBondContact CB-OH 3.4Å; V133-Y149 HydrophobicContact CB-CE1 4.16Å; V133-Y149 HydrophobicContact CG2-CE1 3.96Å; P134-Y149 PolarHBondContact O-OH 2.93Å; Y145-Y149 HydrophobicContact CD1-CE1 4.04Å; Y145-Y149 AromaticContact CD1-CZ 3.87Å; Y145-Y149 WeakPolarHBondContact O-CD2 3.43Å; Y145-Y149 PolarHBondContact O-N 3.4Å; L146-Y149 PolarHBondContact O-N 2.95Å; Y149-M152 PolarHBondContact O-N 2.88Å; Y149-F153 WeakPolarHBondContact O-CB 3.48Å; Y149-F153 PolarHBondContact O-N 3.36Å; Y149-W173 HydrophobicContact CD1-CE3 4.49Å; Y149-W173 HydrophobicContact CD1-CZ3 4.27Å; Y149-F174 AromaticContact CD1-CE1 3.69Å; Y149-F174 HydrophobicContact CD1-CE1 3.69Å; Y149-F174 AromaticContact CD1-CZ 3.96Å; Y149-F174 HydrophobicContact CD1-CZ 3.96Å; Y149-F174 AromaticContact CE1-CE1 3.65Å; Y149-F174 HydrophobicContact CE1-CE1 3.65Å; Y149-F174 AromaticContact CE1-CZ 3.59Å; Y149-F174 HydrophobicContact CE1-CZ 3.59Å
150V95Very high92.2Very high76 Ų7665.6 Ų65.646%0.46134%0.344SS..Hα-helixtrans-61.1-48175.7174.70000110.4L146 L147 H148 M152 F153 F154L146-V150 WeakPolarHBondContact O-CG2 3.35Å; L146-V150 PolarHBondContact O-N 2.97Å; L146-V150 VanDerWaalsContact O-N 3.11Å; L147-V150 PolarHBondContact O-N 3.38Å; H148-V150 VanDerWaalsContact C-N 3.3Å; H148-V150 PolarHBondContact O-N 3.17Å; V150-M152 VanDerWaalsContact C-N 3.31Å; V150-M152 PolarHBondContact O-N 3.15Å; V150-F153 VanDerWaalsContact O-CB 3.31Å; V150-F153 WeakPolarHBondContact O-CB 3.39Å; V150-F153 PolarHBondContact O-N 2.8Å; V150-F154 HydrophobicContact CG1-CD2 4.26Å; V150-F154 HydrophobicContact CG1-CE2 3.87Å; V150-F154 WeakPolarHBondContact O-CD2 3.19Å; V150-F154 PolarHBondContact O-N 3.4Å
151E94.9Very high91.7Very high51 Ų5165.2 Ų65.224%0.23833%0.332CS..Hα-helixtrans-59.1-41.8176.7-176.6-172.9-170.700112.4L147 H148 F153 F154 K155 K182L147-E151 PolarHBondContact O-N 2.65Å; H148-E151 IonicContact CE1-OE2 3.1Å; H148-E151 IonicContact ND1-OE2 2.69Å; H148-E151 PolarHBondContact ND1-OE2 3.31Å; H148-E151 PolarHBondContact O-N 3.43Å; E151-F153 VanDerWaalsContact C-N 3.33Å; E151-F154 PolarHBondContact O-N 3.19Å; E151-K155 HydrophobicContact CG-CD 3.91Å; E151-K155 HydrophobicContact CG-CG 4.44Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 WeakPolarHBondContact O-CG 3.18Å; E151-K155 PolarHBondContact O-N 3.3Å; E151-K155 WeakPolarHBondContact OE1-CE 3.31Å; E151-K155 IonicContact OE1-NZ 2.87Å; E151-K155 PolarHBondContact OE1-NZ 3.31Å; E151-K182 VanDerWaalsContact CD-NZ 3.3Å; E151-K182 IonicContact OE1-NZ 2.68Å; E151-K182 PolarHBondContact OE1-NZ 2.67Å; E151-K182 WeakPolarHBondContact OE2-CE 3.23Å; E151-K182 IonicContact OE2-NZ 3.09Å; E151-K182 PolarHBondContact OE2-NZ 3.36Å
152M93.8Very high91.3Very high22 Ų2266.2 Ų66.211%0.10834%0.339CS..Hα-helixtrans-68.4-32.9177.3-66.4-70.476.700112.5H148 Y149 V150 F154 K155 K156 W173 F174H148-M152 WeakPolarHBondContact O-CB 3.36Å; H148-M152 VanDerWaalsContact O-CG 3.22Å; H148-M152 WeakPolarHBondContact O-CG 3.29Å; H148-M152 PolarHBondContact O-N 3.45Å; Y149-M152 PolarHBondContact O-N 2.88Å; V150-M152 VanDerWaalsContact C-N 3.31Å; V150-M152 PolarHBondContact O-N 3.15Å; M152-F154 PolarHBondContact O-N 2.95Å; M152-K155 HydrophobicContact CE-CB 3.72Å; M152-K155 HydrophobicContact CE-CD 3.77Å; M152-K155 HydrophobicContact CE-CG 4.29Å; M152-K155 PolarHBondContact O-N 3.31Å; M152-K156 CarbonylContact O-C 3.4Å; M152-K156 WeakPolarHBondContact O-CA 3.25Å; M152-K156 PolarHBondContact O-N 3.02Å; M152-K156 VanDerWaalsContact O-O 3.07Å; M152-W173 HydrophobicContact CB-CD2 4.11Å; M152-W173 HydrophobicContact CB-CE3 4.28Å; M152-W173 HydrophobicContact CB-CH2 3.91Å; M152-W173 HydrophobicContact CB-CZ2 3.73Å; M152-W173 HydrophobicContact CB-CZ3 4.17Å; M152-F174 HydrophobicContact CG-CB 4.49Å; M152-F174 HydrophobicContact CG-CD1 3.77Å; M152-F174 HydrophobicContact CG-CE1 4.41Å; M152-F174 HydrophobicContact CG-CG 4.38Å; M152-F174 HydrophobicContact SD-CB 3.93Å; M152-F174 HydrophobicContact SD-CD1 4.29Å; M152-F174 HydrophobicContact SD-CG 4.43Å
153F91.8Very high90.8Very high87 Ų8768.8 Ų68.838%0.38234%0.343SS..Hα-helixtrans-58.4-37.8173.8-161.4-93.3000112.1Y149 V150 E151 P157 V158 W173Y149-F153 WeakPolarHBondContact O-CB 3.48Å; Y149-F153 PolarHBondContact O-N 3.36Å; V150-F153 VanDerWaalsContact O-CB 3.31Å; V150-F153 WeakPolarHBondContact O-CB 3.39Å; V150-F153 PolarHBondContact O-N 2.8Å; E151-F153 VanDerWaalsContact C-N 3.33Å; F153-P157 WeakPolarHBondContact O-CA 3.45Å; F153-V158 HydrophobicContact CE2-CG2 4.33Å; F153-W173 HydrophobicContact CB-CH2 4.44Å; F153-W173 HydrophobicContact CD2-CH2 4.5Å
154F92.4Very high90.5Very high163 Ų16372.2 Ų72.272%0.71535%0.353SS*.Hα-helixtrans-83.4-39.7176.6-68-73.2000113.7V150 E151 M152V150-F154 HydrophobicContact CG1-CD2 4.26Å; V150-F154 HydrophobicContact CG1-CE2 3.87Å; V150-F154 WeakPolarHBondContact O-CD2 3.19Å; V150-F154 PolarHBondContact O-N 3.4Å; E151-F154 PolarHBondContact O-N 3.19Å; M152-F154 PolarHBondContact O-N 2.95Å
155K93.5Very high90.1Very high143 Ų14372.8 Ų72.862%0.62236%0.355SS*.Hα-helixtrans-79.5-36.1-176.4-75.5-175177.5177.60113.7E151 M152E151-K155 HydrophobicContact CG-CD 3.91Å; E151-K155 HydrophobicContact CG-CG 4.44Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 WeakPolarHBondContact O-CG 3.18Å; E151-K155 PolarHBondContact O-N 3.3Å; E151-K155 WeakPolarHBondContact OE1-CE 3.31Å; E151-K155 IonicContact OE1-NZ 2.87Å; E151-K155 PolarHBondContact OE1-NZ 3.31Å; M152-K155 HydrophobicContact CE-CB 3.72Å; M152-K155 HydrophobicContact CE-CD 3.77Å; M152-K155 HydrophobicContact CE-CG 4.29Å; M152-K155 PolarHBondContact O-N 3.31Å
156K90.6Very high89.9Confident101 Ų10172.6 Ų72.644%0.43935%0.354SS..SBendtrans-137.573.3-178.3-171.3176.5175.3-177.30108.7M152 W173M152-K156 CarbonylContact O-C 3.4Å; M152-K156 WeakPolarHBondContact O-CA 3.25Å; M152-K156 PolarHBondContact O-N 3.02Å; M152-K156 VanDerWaalsContact O-O 3.07Å; K156-W173 PolarHBondContact O-NE1 3.08Å; K156-W173 VanDerWaalsContact O-NE1 3.07Å
157P87.4Confident89.6Confident64 Ų6470.8 Ų70.842%0.41634%0.342SS..  trans-58.7152.6-175.824.1-33.7000111.7F153 Q159F153-P157 WeakPolarHBondContact O-CA 3.45Å; P157-Q159 PolarHBondContact O-N 2.91Å; P157-Q159 PolarHBondContact O-NE2 2.96Å
158V86.5Confident89.4Confident11 Ų1172 Ų727%0.06735%0.345CS..  trans-60.4116.6177175.20000109.2L83 F153 S160 Y161 Y165 F166 M170L83-V158 HydrophobicContact CD1-CG2 4.38Å; F153-V158 HydrophobicContact CE2-CG2 4.33Å; V158-S160 WeakPolarHBondContact CG1-O 3.43Å; V158-Y161 HydrophobicContact CG1-CD1 4.44Å; V158-Y161 HydrophobicContact CG1-CD2 4.48Å; V158-Y161 HydrophobicContact CG1-CE1 4.21Å; V158-Y161 HydrophobicContact CG1-CE2 4.24Å; V158-Y165 HydrophobicContact CG1-CD1 4.29Å; V158-Y165 HydrophobicContact CG1-CE1 3.9Å; V158-F166 HydrophobicContact CG1-CE1 3.93Å; V158-M170 HydrophobicContact CG2-CE 4.07Å; V158-M170 HydrophobicContact CG2-SD 4.39Å
159Q84.2Confident89.2Confident138 Ų13877.7 Ų77.765%0.64537%0.372SS*.  trans-83.4-27.4-173.7-60.5-60.8-37.100113P157 Y165P157-Q159 PolarHBondContact O-N 2.91Å; P157-Q159 PolarHBondContact O-NE2 2.96Å; Q159-Y165 HydrophobicContact CB-CE2 3.93Å; Q159-Y165 PolarHBondContact N-OH 3.43Å
160S83.7Confident89Confident40 Ų4077.1 Ų77.128%0.2837%0.37SS..  trans-144.9139.8-178.2178.10000110.5V158 T162 Y165V158-S160 WeakPolarHBondContact CG1-O 3.43Å; S160-T162 VanDerWaalsContact C-N 3.32Å; S160-T162 PolarHBondContact O-N 3.1Å; S160-T162 WeakPolarHBondContact OG-CG2 3.45Å; S160-T162 PolarHBondContact OG-OG1 3.43Å; S160-Y165 WeakPolarHBondContact O-CD1 3.47Å
161Y81.5Confident88.9Confident95 Ų9575.3 Ų75.337%0.37336%0.363SS..  trans-10038.4179.6-66-99000111.4L83 V158 F166L83-Y161 HydrophobicContact CD1-CD1 4.45Å; L83-Y161 HydrophobicContact CD1-CE1 4.11Å; V158-Y161 HydrophobicContact CG1-CD1 4.44Å; V158-Y161 HydrophobicContact CG1-CD2 4.48Å; V158-Y161 HydrophobicContact CG1-CE1 4.21Å; V158-Y161 HydrophobicContact CG1-CE2 4.24Å; Y161-F166 VanDerWaalsContact CA-CZ 3.45Å; Y161-F166 AromaticContact CD1-CZ 3.96Å; Y161-F166 HydrophobicContact CD1-CZ 3.96Å; Y161-F166 HydrophobicContact CG-CZ 4.3Å
162T83.6Confident88.8Confident52 Ų5275.6 Ų75.632%0.31938%0.379SS..SBendtrans-99.3152.1176.2650000111.8M4 S160 D164 Y165 F166M4-T162 HydrophobicContact CE-CG2 4.29Å; S160-T162 VanDerWaalsContact C-N 3.32Å; S160-T162 PolarHBondContact O-N 3.1Å; S160-T162 WeakPolarHBondContact OG-CG2 3.45Å; S160-T162 PolarHBondContact OG-OG1 3.43Å; T162-D164 PolarHBondContact O-N 3.1Å; T162-Y165 PolarHBondContact O-N 3.2Å; T162-Y165 WeakPolarHBondContact OG1-CB 3.22Å; T162-Y165 PolarHBondContact OG1-N 2.98Å; T162-F166 WeakPolarHBondContact O-CD2 3.42Å; T162-F166 WeakPolarHBondContact O-CG 3.41Å; T162-F166 PolarHBondContact O-N 3.48Å
163K82.6Confident88.7Confident119 Ų11974.9 Ų74.952%0.51738%0.375SS..Hα-helixtrans-59-39.8175.1-177.6-177.9179.1-171.70111M4 Y165 F166 Q167M4-K163 HydrophobicContact CE-CB 4.25Å; M4-K163 VanDerWaalsContact CE-N 3.29Å; M4-K163 HydrophobicContact SD-CB 3.14Å; M4-K163 WeakPolarHBondContact SD-CB 3.47Å; M4-K163 HydrophobicContact SD-CD 4.44Å; M4-K163 HydrophobicContact SD-CG 4.41Å; M4-K163 PolarHBondContact SD-N 3.32Å; M4-K163 VanDerWaalsContact SD-N 3.36Å; K163-Y165 PolarHBondContact O-N 3.3Å; K163-F166 CarbonylContact O-C 3.55Å; K163-F166 PolarHBondContact O-N 3.35Å; K163-Q167 HydrophobicContact CG-CG 4.04Å; K163-Q167 WeakPolarHBondContact O-CB 3.15Å; K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.11Å
164D86.5Confident88.8Confident105 Ų10571.3 Ų71.356%0.56136%0.359SS*.Hα-helixtrans-61.2-45.7179.2-56.4-53.2000111.5T162 F166 Q167 H168T162-D164 PolarHBondContact O-N 3.1Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 2.79Å; D164-Q167 PolarHBondContact O-N 3.04Å; D164-H168 WeakPolarHBondContact O-CB 3.48Å; D164-H168 PolarHBondContact O-CD2 2.92Å; D164-H168 VanDerWaalsContact O-CD2 3.25Å; D164-H168 PolarHBondContact O-N 2.8Å
165Y88.2Confident88.8Confident30 Ų3067.9 Ų67.912%0.11835%0.353CS..Iπ-helixtrans-59.6-45.7174.3-174-91.2000111.5V158 Q159 S160 T162 K163 Q167 E169 M170V158-Y165 HydrophobicContact CG1-CD1 4.29Å; V158-Y165 HydrophobicContact CG1-CE1 3.9Å; Q159-Y165 HydrophobicContact CB-CE2 3.93Å; Q159-Y165 PolarHBondContact N-OH 3.43Å; S160-Y165 WeakPolarHBondContact O-CD1 3.47Å; T162-Y165 PolarHBondContact O-N 3.2Å; T162-Y165 WeakPolarHBondContact OG1-CB 3.22Å; T162-Y165 PolarHBondContact OG1-N 2.98Å; K163-Y165 PolarHBondContact O-N 3.3Å; Y165-Q167 VanDerWaalsContact C-N 3.28Å; Y165-Q167 PolarHBondContact O-N 2.99Å; Y165-E169 HydrophobicContact CD2-CB 3.61Å; Y165-E169 HydrophobicContact CD2-CG 3.54Å; Y165-E169 HydrophobicContact CE2-CB 3.6Å; Y165-E169 HydrophobicContact CE2-CG 3.82Å; Y165-E169 HydrophobicContact CG-CB 4.08Å; Y165-E169 HydrophobicContact CG-CG 4.27Å; Y165-E169 WeakPolarHBondContact O-CB 3.46Å; Y165-E169 PolarHBondContact O-N 2.86Å; Y165-E169 VanDerWaalsContact O-N 3.1Å; Y165-M170 HydrophobicContact CD1-CG 3.87Å; Y165-M170 HydrophobicContact CD1-SD 4.18Å; Y165-M170 HydrophobicContact CE1-CG 3.64Å; Y165-M170 HydrophobicContact CE1-SD 4.01Å; Y165-M170 PolarHBondContact O-N 3.25Å; Y165-M170 VanDerWaalsContact O-N 3.16Å
166F89.5Confident88.6Confident1 Ų166.1 Ų66.10%0.00435%0.347CS..Iπ-helixtrans-64.1-28.2178.4-64.1-28.1000114.1L83 F129 P131 R132 V158 Y161 T162 K163 D164 M170L83-F166 HydrophobicContact CD1-CE1 4.25Å; L83-F166 HydrophobicContact CD1-CZ 4.34Å; L83-F166 HydrophobicContact CD2-CE1 4Å; L83-F166 HydrophobicContact CD2-CE2 3.87Å; L83-F166 HydrophobicContact CD2-CZ 3.45Å; L83-F166 VanDerWaalsContact CD2-CZ 3.45Å; F129-F166 HydrophobicContact CB-CD2 3.69Å; F129-F166 HydrophobicContact CB-CE2 3.68Å; F129-F166 AromaticContact CD1-CD2 3.78Å; F129-F166 HydrophobicContact CD1-CD2 3.78Å; F129-F166 AromaticContact CD1-CE2 3.79Å; F129-F166 HydrophobicContact CD1-CE2 3.79Å; F129-F166 HydrophobicContact CD2-CD2 4.45Å; F129-F166 AromaticContact CD2-CE2 3.72Å; F129-F166 HydrophobicContact CD2-CE2 3.72Å; F129-F166 HydrophobicContact CE1-CE2 4.34Å; F129-F166 HydrophobicContact CE2-CE2 4.28Å; F129-F166 AromaticContact CG-CD2 3.73Å; F129-F166 HydrophobicContact CG-CD2 3.73Å; F129-F166 AromaticContact CG-CE2 3.44Å; F129-F166 HydrophobicContact CG-CE2 3.44Å; F129-F166 VanDerWaalsContact CG-CE2 3.44Å; P131-F166 WeakPolarHBondContact CA-O 3.43Å; P131-F166 HydrophobicContact CB-CB 4.19Å; P131-F166 HydrophobicContact CB-CD1 4.35Å; P131-F166 HydrophobicContact CB-CG 4.46Å; P131-F166 HydrophobicContact CG-CB 4.37Å; P131-F166 HydrophobicContact CG-CD1 4Å; P131-F166 HydrophobicContact CG-CE1 4.5Å; P131-F166 HydrophobicContact CG-CG 4.17Å; R132-F166 PolarHBondContact N-O 3.06Å; V158-F166 HydrophobicContact CG1-CE1 3.93Å; Y161-F166 VanDerWaalsContact CA-CZ 3.45Å; Y161-F166 AromaticContact CD1-CZ 3.96Å; Y161-F166 HydrophobicContact CD1-CZ 3.96Å; Y161-F166 HydrophobicContact CG-CZ 4.3Å; T162-F166 WeakPolarHBondContact O-CD2 3.42Å; T162-F166 WeakPolarHBondContact O-CG 3.41Å; T162-F166 PolarHBondContact O-N 3.48Å; K163-F166 CarbonylContact O-C 3.55Å; K163-F166 PolarHBondContact O-N 3.35Å; D164-F166 VanDerWaalsContact C-N 3.34Å; D164-F166 PolarHBondContact O-N 2.79Å; F166-M170 HydrophobicContact CD1-SD 3.59Å; F166-M170 VanDerWaalsContact CD1-SD 3.59Å; F166-M170 HydrophobicContact CE1-SD 4.19Å
167Q90Very high88.5Confident69 Ų6964.6 Ų64.632%0.32235%0.354SS..Iπ-helixtrans-94.2-29.1-177.7-66.2-50.6-59.300113.7S130 K163 D164 Y165S130-Q167 PolarHBondContact O-NE2 3.22Å; K163-Q167 HydrophobicContact CG-CG 4.04Å; K163-Q167 WeakPolarHBondContact O-CB 3.15Å; K163-Q167 VanDerWaalsContact O-CG 3.27Å; K163-Q167 WeakPolarHBondContact O-CG 3.49Å; K163-Q167 PolarHBondContact O-N 3.11Å; D164-Q167 PolarHBondContact O-N 3.04Å; Y165-Q167 VanDerWaalsContact C-N 3.28Å; Y165-Q167 PolarHBondContact O-N 2.99Å
168H91.8Very high88.7Confident128 Ų12864 Ų6459%0.59335%0.349SS*.Iπ-helixtrans-108.8-57.6-173.3-60.5-64.9000112.3D164 A171D164-H168 WeakPolarHBondContact O-CB 3.48Å; D164-H168 PolarHBondContact O-CD2 2.92Å; D164-H168 VanDerWaalsContact O-CD2 3.25Å; D164-H168 PolarHBondContact O-N 2.8Å; H168-A171 PolarHBondContact O-N 2.74Å
169E90.4Very high88.9Confident124 Ų12463.9 Ų63.958%0.57935%0.348SS*.Iπ-helixtrans-70.6-38.4-174.4-62.4-58134.300112.5Y165 A171Y165-E169 HydrophobicContact CD2-CB 3.61Å; Y165-E169 HydrophobicContact CD2-CG 3.54Å; Y165-E169 HydrophobicContact CE2-CB 3.6Å; Y165-E169 HydrophobicContact CE2-CG 3.82Å; Y165-E169 HydrophobicContact CG-CB 4.08Å; Y165-E169 HydrophobicContact CG-CG 4.27Å; Y165-E169 WeakPolarHBondContact O-CB 3.46Å; Y165-E169 PolarHBondContact O-N 2.86Å; Y165-E169 VanDerWaalsContact O-N 3.1Å; E169-A171 VanDerWaalsContact C-N 3.27Å; E169-A171 PolarHBondContact O-N 3.45Å
170M92.2Very high89.2Confident1 Ų161.9 Ų61.91%0.00535%0.349CS..G310 helixtrans-74.4-17.3-179-63.6-160.570.900113.2F85 P131 R132 V133 V158 Y165 F166 G172 W173F85-M170 HydrophobicContact CE1-CE 3.5Å; F85-M170 VanDerWaalsContact CE1-CE 3.5Å; F85-M170 HydrophobicContact CZ-CE 3.93Å; P131-M170 HydrophobicContact CB-CB 4.32Å; P131-M170 HydrophobicContact CB-CE 4.07Å; P131-M170 HydrophobicContact CB-SD 3.56Å; P131-M170 VanDerWaalsContact CB-SD 3.56Å; P131-M170 HydrophobicContact CG-SD 3.98Å; R132-M170 CarbonylContact O-C 3.17Å; R132-M170 VanDerWaalsContact O-CB 3.26Å; R132-M170 WeakPolarHBondContact O-CB 3.04Å; V133-M170 HydrophobicContact CG1-CB 4.2Å; V133-M170 HydrophobicContact CG1-CE 3.99Å; V158-M170 HydrophobicContact CG2-CE 4.07Å; V158-M170 HydrophobicContact CG2-SD 4.39Å; Y165-M170 HydrophobicContact CD1-CG 3.87Å; Y165-M170 HydrophobicContact CD1-SD 4.18Å; Y165-M170 HydrophobicContact CE1-CG 3.64Å; Y165-M170 HydrophobicContact CE1-SD 4.01Å; Y165-M170 PolarHBondContact O-N 3.25Å; Y165-M170 VanDerWaalsContact O-N 3.16Å; F166-M170 HydrophobicContact CD1-SD 3.59Å; F166-M170 VanDerWaalsContact CD1-SD 3.59Å; F166-M170 HydrophobicContact CE1-SD 4.19Å; M170-G172 PolarHBondContact O-N 2.67Å; M170-W173 HydrophobicContact CE-CD2 3.92Å; M170-W173 HydrophobicContact CE-CE3 3.84Å; M170-W173 HydrophobicContact CE-CH2 4.24Å; M170-W173 HydrophobicContact CE-CZ2 4.3Å; M170-W173 HydrophobicContact CE-CZ3 4.02Å; M170-W173 VanDerWaalsContact O-CB 3.28Å; M170-W173 WeakPolarHBondContact O-CB 3.43Å; M170-W173 PolarHBondContact O-N 2.87Å
171A91.9Very high89.6Confident38 Ų3866.9 Ų66.931%0.31437%0.366SS..G310 helixtrans-63.1-32.3-178.600000111.7R132 H168 E169R132-A171 HydrophobicContact CB-CB 4.41Å; R132-A171 HydrophobicContact CG-CB 3.91Å; R132-A171 WeakPolarHBondContact O-CA 3.33Å; R132-A171 PolarHBondContact O-N 2.94Å; H168-A171 PolarHBondContact O-N 2.74Å; E169-A171 VanDerWaalsContact C-N 3.27Å; E169-A171 PolarHBondContact O-N 3.45Å
172G91.8Very high90.2Very high56 Ų5663.5 Ų63.558%0.57735%0.353SS*.G310 helixtrans-105.332.8173.400000113.2M170 F174M170-G172 PolarHBondContact O-N 2.67Å; G172-F174 PolarHBondContact O-N 2.98Å; G172-F174 VanDerWaalsContact O-N 3.15Å
173W93.5Very high90.8Very high8 Ų867.2 Ų67.23%0.0336%0.361CS..SBendtrans-56.6-35.8-173.4-162.119.7000112.7F85 V133 Y149 M152 F153 K156 M170F85-W173 AromaticContact CD1-CZ3 3.85Å; F85-W173 HydrophobicContact CD1-CZ3 3.85Å; F85-W173 HydrophobicContact CE1-CE3 4.08Å; F85-W173 AromaticContact CE1-CH2 3.79Å; F85-W173 HydrophobicContact CE1-CH2 3.79Å; F85-W173 AromaticContact CE1-CZ3 3.31Å; F85-W173 HydrophobicContact CE1-CZ3 3.31Å; F85-W173 HydrophobicContact CZ-CH2 4.13Å; F85-W173 HydrophobicContact CZ-CZ3 4.11Å; V133-W173 HydrophobicContact CG1-CE3 3.97Å; Y149-W173 HydrophobicContact CD1-CE3 4.49Å; Y149-W173 HydrophobicContact CD1-CZ3 4.27Å; M152-W173 HydrophobicContact CB-CD2 4.11Å; M152-W173 HydrophobicContact CB-CE3 4.28Å; M152-W173 HydrophobicContact CB-CH2 3.91Å; M152-W173 HydrophobicContact CB-CZ2 3.73Å; M152-W173 HydrophobicContact CB-CZ3 4.17Å; F153-W173 HydrophobicContact CB-CH2 4.44Å; F153-W173 HydrophobicContact CD2-CH2 4.5Å; K156-W173 PolarHBondContact O-NE1 3.08Å; K156-W173 VanDerWaalsContact O-NE1 3.07Å; M170-W173 HydrophobicContact CE-CD2 3.92Å; M170-W173 HydrophobicContact CE-CE3 3.84Å; M170-W173 HydrophobicContact CE-CH2 4.24Å; M170-W173 HydrophobicContact CE-CZ2 4.3Å; M170-W173 HydrophobicContact CE-CZ3 4.02Å; M170-W173 VanDerWaalsContact O-CB 3.28Å; M170-W173 WeakPolarHBondContact O-CB 3.43Å; M170-W173 PolarHBondContact O-N 2.87Å
174F93.9Very high91.4Very high12 Ų1264.2 Ų64.25%0.05336%0.359CS..SBendtrans-151.2156.3171.555.5-91.2000111.3P134 Y145 H148 Y149 M152 G172 V179P134-F174 HydrophobicContact CB-CD2 4.16Å; P134-F174 HydrophobicContact CB-CE1 4.24Å; P134-F174 HydrophobicContact CB-CE2 3.57Å; P134-F174 HydrophobicContact CB-CZ 3.63Å; P134-F174 HydrophobicContact CG-CD1 4.05Å; P134-F174 HydrophobicContact CG-CD2 4.02Å; P134-F174 HydrophobicContact CG-CE1 3.87Å; P134-F174 HydrophobicContact CG-CE2 3.84Å; P134-F174 HydrophobicContact CG-CG 4.14Å; P134-F174 HydrophobicContact CG-CZ 3.78Å; P134-F174 VanDerWaalsContact CG-O 3.25Å; P134-F174 WeakPolarHBondContact CG-O 3.35Å; Y145-F174 HydrophobicContact CD1-CE2 4.48Å; Y145-F174 HydrophobicContact CD1-CZ 4.12Å; Y145-F174 HydrophobicContact CE1-CE2 4.1Å; Y145-F174 HydrophobicContact CE1-CZ 4.11Å; H148-F174 AromaticContact CD2-CD1 3.89Å; H148-F174 AromaticContact CD2-CD2 3.47Å; H148-F174 VanDerWaalsContact CD2-CD2 3.47Å; H148-F174 WeakPolarHBondContact CD2-CD2 3.46Å; H148-F174 AromaticContact CD2-CE1 3.9Å; H148-F174 AromaticContact CD2-CE2 3.48Å; H148-F174 VanDerWaalsContact CD2-CE2 3.48Å; H148-F174 WeakPolarHBondContact CD2-CE2 3.3Å; H148-F174 AromaticContact CD2-CG 3.67Å; H148-F174 AromaticContact CD2-CZ 3.69Å; H148-F174 AromaticContact NE2-CD1 3.92Å; H148-F174 AromaticContact NE2-CD2 3.46Å; H148-F174 WeakPolarHBondContact NE2-CD2 3.49Å; H148-F174 AromaticContact NE2-CG 3.41Å; H148-F174 WeakPolarHBondContact NE2-CG 3.46Å; Y149-F174 AromaticContact CD1-CE1 3.69Å; Y149-F174 HydrophobicContact CD1-CE1 3.69Å; Y149-F174 AromaticContact CD1-CZ 3.96Å; Y149-F174 HydrophobicContact CD1-CZ 3.96Å; Y149-F174 AromaticContact CE1-CE1 3.65Å; Y149-F174 HydrophobicContact CE1-CE1 3.65Å; Y149-F174 AromaticContact CE1-CZ 3.59Å; Y149-F174 HydrophobicContact CE1-CZ 3.59Å; M152-F174 HydrophobicContact CG-CB 4.49Å; M152-F174 HydrophobicContact CG-CD1 3.77Å; M152-F174 HydrophobicContact CG-CE1 4.41Å; M152-F174 HydrophobicContact CG-CG 4.38Å; M152-F174 HydrophobicContact SD-CB 3.93Å; M152-F174 HydrophobicContact SD-CD1 4.29Å; M152-F174 HydrophobicContact SD-CG 4.43Å; G172-F174 PolarHBondContact O-N 2.98Å; G172-F174 VanDerWaalsContact O-N 3.15Å; F174-V179 HydrophobicContact CD2-CG2 4.16Å; F174-V179 HydrophobicContact CE2-CG2 3.57Å; F174-V179 HydrophobicContact CZ-CG2 4.43Å
175P92.5Very high91.9Very high90 Ų9063.9 Ų63.958%0.58435%0.354SS*.  trans-70.7137.9173.7-17.230.8000112.1A177 T178P175-A177 VanDerWaalsContact C-N 3.25Å; P175-A177 PolarHBondContact O-N 3.02Å; P175-T178 WeakPolarHBondContact O-CB 3.26Å; P175-T178 PolarHBondContact O-N 2.93Å; P175-T178 PolarHBondContact O-OG1 2.97Å
176E87.5Confident92.3Very high107 Ų10765 Ų6550%0.536%0.362SS..THydrogen-bonded Turntrans-56-37.1179.5-172.7174.5179.600113T178 V179E176-T178 PolarHBondContact O-N 2.99Å; E176-V179 PolarHBondContact O-N 3.13Å
177A89.9Confident92.7Very high69 Ų6970.4 Ų70.457%0.5739%0.386SS*.Hα-helixtrans-57.4-20.1176.800000114.1P175 V179P175-A177 VanDerWaalsContact C-N 3.25Å; P175-A177 PolarHBondContact O-N 3.02Å; A177-V179 VanDerWaalsContact C-N 3.31Å
178T90.5Very high93.1Very high52 Ų5271.2 Ų71.232%0.31939%0.393SS..Hα-helixtrans-65.5-38.1176.3-490000110.9P175 E176P175-T178 WeakPolarHBondContact O-CB 3.26Å; P175-T178 PolarHBondContact O-N 2.93Å; P175-T178 PolarHBondContact O-OG1 2.97Å; E176-T178 PolarHBondContact O-N 2.99Å
179V91.8Very high93.3Very high7 Ų769.9 Ų69.94%0.04239%0.39CS..Hα-helixtrans-74.6-33.4-175.4-176.30000111.3I144 Y145 F174 E176 A177 K181 K182I144-V179 HydrophobicContact CB-CG1 4.2Å; I144-V179 HydrophobicContact CG2-CG1 3.49Å; I144-V179 VanDerWaalsContact CG2-CG1 3.49Å; Y145-V179 HydrophobicContact CD1-CG2 4.48Å; Y145-V179 HydrophobicContact CD2-CG1 3.84Å; Y145-V179 HydrophobicContact CE1-CG2 4.09Å; Y145-V179 HydrophobicContact CE2-CB 4.26Å; Y145-V179 HydrophobicContact CE2-CG1 3.59Å; Y145-V179 HydrophobicContact CE2-CG2 4.38Å; Y145-V179 HydrophobicContact CG-CG1 4.48Å; F174-V179 HydrophobicContact CD2-CG2 4.16Å; F174-V179 HydrophobicContact CE2-CG2 3.57Å; F174-V179 HydrophobicContact CZ-CG2 4.43Å; E176-V179 PolarHBondContact O-N 3.13Å; A177-V179 VanDerWaalsContact C-N 3.31Å; V179-K181 PolarHBondContact O-N 2.98Å; V179-K181 VanDerWaalsContact O-N 3.13Å; V179-K182 VanDerWaalsContact O-CB 3.26Å; V179-K182 WeakPolarHBondContact O-CB 3.42Å; V179-K182 PolarHBondContact O-N 2.6Å
180S89.9Confident93.7Very high96 Ų9669.1 Ų69.167%0.67139%0.389SS*.Hα-helixtrans-58.8-29.7-179.1-46.80000113.4
181K92.6Very high94Very high146 Ų14671.7 Ų71.764%0.63541%0.405SS*.THydrogen-bonded Turntrans-88.7-10.4178.8-61.5-179.2-177.4179.10113.4V179 R183 A184 Q185V179-K181 PolarHBondContact O-N 2.98Å; V179-K181 VanDerWaalsContact O-N 3.13Å; K181-R183 VanDerWaalsContact C-N 3.34Å; K181-R183 PolarHBondContact O-N 2.86Å; K181-A184 PolarHBondContact O-N 3.34Å; K181-Q185 WeakPolarHBondContact O-CG 3.2Å; K181-Q185 PolarHBondContact O-N 3.4Å; K181-Q185 VanDerWaalsContact O-N 3.09Å
182K94.4Very high94.3Very high23 Ų2374.5 Ų74.510%0.141%0.414CS..Hα-helixtrans-64.3-35.6-172.6-76.6-77.5170.6-164.90113.2I144 H148 E151 V179 A184 Q185 I186I144-K182 HydrophobicContact CG2-CB 3.4Å; I144-K182 HydrophobicContact CG2-CG 4.06Å; H148-K182 WeakPolarHBondContact ND1-CE 3.35Å; E151-K182 VanDerWaalsContact CD-NZ 3.3Å; E151-K182 IonicContact OE1-NZ 2.68Å; E151-K182 PolarHBondContact OE1-NZ 2.67Å; E151-K182 WeakPolarHBondContact OE2-CE 3.23Å; E151-K182 IonicContact OE2-NZ 3.09Å; E151-K182 PolarHBondContact OE2-NZ 3.36Å; V179-K182 VanDerWaalsContact O-CB 3.26Å; V179-K182 WeakPolarHBondContact O-CB 3.42Å; V179-K182 PolarHBondContact O-N 2.6Å; K182-A184 PolarHBondContact O-N 3.22Å; K182-Q185 PolarHBondContact O-N 2.96Å; K182-I186 WeakPolarHBondContact O-CB 3.28Å; K182-I186 VanDerWaalsContact O-CG1 3.23Å; K182-I186 WeakPolarHBondContact O-CG1 3.44Å; K182-I186 PolarHBondContact O-N 3.09Å
183R95.2Very high94.6Very high130 Ų13076.3 Ų76.349%0.49141%0.41SS..Hα-helixtrans-60.6-45177.2-72.1-178.7178-90.72111.9V140 D141 I144 K181 I186 H187V140-R183 PolarHBondContact O-NH2 3.19Å; D141-R183 IonicContact OD1-CZ 2.6Å; D141-R183 VanDerWaalsContact OD1-CZ 3.26Å; D141-R183 IonicContact OD1-NE 2.67Å; D141-R183 PolarHBondContact OD1-NE 2.95Å; D141-R183 IonicContact OD1-NH2 3.22Å; D141-R183 PolarHBondContact OD1-NH2 3.28Å; I144-R183 HydrophobicContact CD1-CG 3.7Å; I144-R183 HydrophobicContact CG1-CG 4.06Å; K181-R183 VanDerWaalsContact C-N 3.34Å; K181-R183 PolarHBondContact O-N 2.86Å; R183-I186 PolarHBondContact O-N 3.48Å; R183-H187 WeakPolarHBondContact O-CB 3.28Å; R183-H187 PolarHBondContact O-N 3.46Å
184A95.9Very high94.8Very high57 Ų5784.6 Ų84.647%0.47144%0.442SS..Hα-helixtrans-63.6-45.217500000111.4K181 K182 I186 H187 D188K181-A184 PolarHBondContact O-N 3.34Å; K182-A184 PolarHBondContact O-N 3.22Å; A184-I186 VanDerWaalsContact C-N 3.32Å; A184-I186 PolarHBondContact O-N 2.98Å; A184-H187 WeakPolarHBondContact O-CB 3.47Å; A184-H187 PolarHBondContact O-N 3.28Å; A184-D188 VanDerWaalsContact O-CG 3.23Å; A184-D188 PolarHBondContact O-N 2.9Å
185Q96.3Very high95Very high98 Ų9888 Ų8846%0.45846%0.458SS..Hα-helixtrans-58.8-41.2176.5-68.9175.8-8.800112.9K181 K182 L189K181-Q185 WeakPolarHBondContact O-CG 3.2Å; K181-Q185 PolarHBondContact O-N 3.4Å; K181-Q185 VanDerWaalsContact O-N 3.09Å; K182-Q185 PolarHBondContact O-N 2.96Å; Q185-L189 VanDerWaalsContact O-CB 3.28Å; Q185-L189 WeakPolarHBondContact O-CB 3.48Å; Q185-L189 PolarHBondContact O-N 3.27Å
186I96.6Very high95.2Very high54 Ų5491.2 Ų91.228%0.27746%0.458SS..Hα-helixtrans-66.5-45177.1-69.3163.7000110.2I144 L147 K182 R183 A184 D188 L189 L190I144-I186 HydrophobicContact CD1-CD1 3.93Å; L147-I186 HydrophobicContact CD1-CD1 3.85Å; K182-I186 WeakPolarHBondContact O-CB 3.28Å; K182-I186 VanDerWaalsContact O-CG1 3.23Å; K182-I186 WeakPolarHBondContact O-CG1 3.44Å; K182-I186 PolarHBondContact O-N 3.09Å; R183-I186 PolarHBondContact O-N 3.48Å; A184-I186 VanDerWaalsContact C-N 3.32Å; A184-I186 PolarHBondContact O-N 2.98Å; I186-D188 PolarHBondContact O-N 3.49Å; I186-L189 PolarHBondContact O-N 3.39Å; I186-L190 HydrophobicContact CG2-CD1 4.05Å; I186-L190 HydrophobicContact CG2-CG 4.44Å; I186-L190 VanDerWaalsContact O-CG 3.28Å; I186-L190 WeakPolarHBondContact O-CG 3.36Å; I186-L190 PolarHBondContact O-N 2.95Å
187H97.5Very high95.6Very high113 Ų11389.4 Ų89.452%0.52345%0.452SS..Hα-helixtrans-55.9-51.6175.3170-85.7000111.4R183 A184 L189 L190 V191R183-H187 WeakPolarHBondContact O-CB 3.28Å; R183-H187 PolarHBondContact O-N 3.46Å; A184-H187 WeakPolarHBondContact O-CB 3.47Å; A184-H187 PolarHBondContact O-N 3.28Å; H187-L189 VanDerWaalsContact C-N 3.31Å; H187-L189 PolarHBondContact O-N 2.97Å; H187-L190 WeakPolarHBondContact O-CB 3.26Å; H187-L190 PolarHBondContact O-N 2.9Å; H187-L190 VanDerWaalsContact O-N 3.1Å; H187-V191 WeakPolarHBondContact O-CG2 3.42Å; H187-V191 PolarHBondContact O-N 3.01Å
188D98.2Very high95.9Very high86 Ų8690.7 Ų90.746%0.4645%0.449SS..Hα-helixtrans-64.2-38.8-178-62.2-15.4000111.3A184 I186 L190 V191 N192A184-D188 VanDerWaalsContact O-CG 3.23Å; A184-D188 PolarHBondContact O-N 2.9Å; I186-D188 PolarHBondContact O-N 3.49Å; D188-L190 PolarHBondContact O-N 3.36Å; D188-V191 PolarHBondContact O-N 2.92Å; D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 PolarHBondContact O-N 3.18Å; D188-N192 PolarHBondContact O-ND2 2.98Å
189L97.7Very high96.2Very high100 Ų10095.9 Ų95.952%0.52446%0.463SS..Hα-helixtrans-59.3-45.4172.9178.562.8000111.6Q185 I186 H187 N192 L193Q185-L189 VanDerWaalsContact O-CB 3.28Å; Q185-L189 WeakPolarHBondContact O-CB 3.48Å; Q185-L189 PolarHBondContact O-N 3.27Å; I186-L189 PolarHBondContact O-N 3.39Å; H187-L189 VanDerWaalsContact C-N 3.31Å; H187-L189 PolarHBondContact O-N 2.97Å; L189-N192 PolarHBondContact O-N 3.48Å; L189-L193 HydrophobicContact CD1-CD1 4.14Å; L189-L193 HydrophobicContact CD1-CG 4.18Å; L189-L193 HydrophobicContact CG-CD1 4.01Å; L189-L193 HydrophobicContact CG-CG 4.45Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.1Å
190L98.1Very high96.4Very high108 Ų10899.5 Ų99.557%0.56548%0.479SS*.Hα-helixtrans-64.2-41.7178.9-70.2171000112I186 H187 D188 L193 R194I186-L190 HydrophobicContact CG2-CD1 4.05Å; I186-L190 HydrophobicContact CG2-CG 4.44Å; I186-L190 VanDerWaalsContact O-CG 3.28Å; I186-L190 WeakPolarHBondContact O-CG 3.36Å; I186-L190 PolarHBondContact O-N 2.95Å; H187-L190 WeakPolarHBondContact O-CB 3.26Å; H187-L190 PolarHBondContact O-N 2.9Å; H187-L190 VanDerWaalsContact O-N 3.1Å; D188-L190 PolarHBondContact O-N 3.36Å; L190-L193 PolarHBondContact O-N 3.39Å; L190-R194 WeakPolarHBondContact O-CB 3.43Å; L190-R194 PolarHBondContact O-N 3.35Å
191V98.3Very high96.6Very high55 Ų55101.2 Ų101.233%0.33347%0.474SS..Hα-helixtrans-61.1-48.4174.81740000110.5H187 D188 L193 R194 E195H187-V191 WeakPolarHBondContact O-CG2 3.42Å; H187-V191 PolarHBondContact O-N 3.01Å; D188-V191 PolarHBondContact O-N 2.92Å; V191-L193 PolarHBondContact O-N 3.44Å; V191-R194 WeakPolarHBondContact O-CB 3.38Å; V191-R194 PolarHBondContact O-N 2.96Å; V191-E195 PolarHBondContact O-N 2.89Å
192N98.2Very high96.6Very high97 Ų9798.4 Ų98.452%0.51948%0.478SS..Hα-helixtrans-61.3-42.5178.9-72.6-34.2000112.7D188 L189 R194 E195 R196D188-N192 WeakPolarHBondContact O-CB 3.43Å; D188-N192 PolarHBondContact O-N 3.18Å; D188-N192 PolarHBondContact O-ND2 2.98Å; L189-N192 PolarHBondContact O-N 3.48Å; N192-R194 VanDerWaalsContact C-N 3.35Å; N192-E195 PolarHBondContact O-N 3.2Å; N192-R196 WeakPolarHBondContact O-CB 3.46Å; N192-R196 PolarHBondContact O-N 3.42Å
193L98.2Very high96.3Very high94 Ų94105.7 Ų105.749%0.49251%0.51SS..Hα-helixtrans-64.4-40.1176.5-73.5173.2000111.7L189 L190 V191 R196 N197L189-L193 HydrophobicContact CD1-CD1 4.14Å; L189-L193 HydrophobicContact CD1-CG 4.18Å; L189-L193 HydrophobicContact CG-CD1 4.01Å; L189-L193 HydrophobicContact CG-CG 4.45Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.26Å; L189-L193 WeakPolarHBondContact O-CG 3.49Å; L189-L193 PolarHBondContact O-N 3.1Å; L190-L193 PolarHBondContact O-N 3.39Å; V191-L193 PolarHBondContact O-N 3.44Å; L193-R196 PolarHBondContact O-N 2.98Å; L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 PolarHBondContact O-N 2.87Å
194R97.7Very high95.4Very high182 Ų182108.9 Ų108.969%0.68754%0.537SS*.Hα-helixtrans-61.9-49.8175.2177.9-175.7174.9-167.4-1.4111.3L190 V191 N192 R196 N197 L198L190-R194 WeakPolarHBondContact O-CB 3.43Å; L190-R194 PolarHBondContact O-N 3.35Å; V191-R194 WeakPolarHBondContact O-CB 3.38Å; V191-R194 PolarHBondContact O-N 2.96Å; N192-R194 VanDerWaalsContact C-N 3.35Å; R194-R196 VanDerWaalsContact C-N 3.31Å; R194-R196 PolarHBondContact O-N 3.48Å; R194-N197 PolarHBondContact O-N 3.4Å; R194-L198 HydrophobicContact CG-CD1 4.32Å; R194-L198 WeakPolarHBondContact O-CG 3.44Å; R194-L198 PolarHBondContact O-N 2.99Å
195E97.3Very high95.4Very high85 Ų85111.5 Ų111.540%0.39754%0.54SS..Hα-helixtrans-60-43.5178.9-72.4-174.8-171.500111.9V191 N192 N197 L198 R199V191-E195 PolarHBondContact O-N 2.89Å; N192-E195 PolarHBondContact O-N 3.2Å; E195-N197 PolarHBondContact O-N 3.21Å; E195-L198 PolarHBondContact O-N 3.39Å; E195-R199 WeakPolarHBondContact O-CG 3.26Å; E195-R199 PolarHBondContact O-N 2.95Å; E195-R199 IonicContact OE2-NH2 3.25Å; E195-R199 PolarHBondContact OE2-NH2 3.02Å
196R97Very high95.3Very high156 Ų156112.2 Ų112.259%0.58954%0.544SS*.Hα-helixtrans-58.5-47175-179.6178.5173.7165-0111.5N192 L193 R194 L198 R199 E200N192-R196 WeakPolarHBondContact O-CB 3.46Å; N192-R196 PolarHBondContact O-N 3.42Å; L193-R196 PolarHBondContact O-N 2.98Å; R194-R196 VanDerWaalsContact C-N 3.31Å; R194-R196 PolarHBondContact O-N 3.48Å; R196-L198 VanDerWaalsContact C-N 3.32Å; R196-L198 PolarHBondContact O-N 3.46Å; R196-R199 PolarHBondContact O-N 3.23Å; R196-E200 IonicContact CZ-OE1 3.59Å; R196-E200 IonicContact NE-OE1 3.92Å; R196-E200 PolarHBondContact NE-OE1 3.32Å; R196-E200 IonicContact NH2-OE1 3.4Å; R196-E200 PolarHBondContact NH2-OE1 2.94Å; R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.41Å
197N96.8Very high95.2Very high70 Ų70115.4 Ų115.437%0.37456%0.559SS.*Hα-helixtrans-62.4-38.5179.9-169.7-101.8000112.5L193 R194 E195 E200 K201L193-N197 WeakPolarHBondContact O-CB 3.44Å; L193-N197 PolarHBondContact O-N 2.87Å; R194-N197 PolarHBondContact O-N 3.4Å; E195-N197 PolarHBondContact O-N 3.21Å; N197-E200 PolarHBondContact O-N 3.44Å; N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.29Å; N197-K201 VanDerWaalsContact OD1-CE 3.26Å; N197-K201 WeakPolarHBondContact OD1-CE 3.49Å; N197-K201 PolarHBondContact OD1-NZ 3.49Å
198L96.6Very high95.1Very high96 Ų96115.5 Ų115.550%0.50356%0.561SS.*Hα-helixtrans-66.4-41175.8-69.2173.2000111.9R194 E195 R196 K201 A202R194-L198 HydrophobicContact CG-CD1 4.32Å; R194-L198 WeakPolarHBondContact O-CG 3.44Å; R194-L198 PolarHBondContact O-N 2.99Å; E195-L198 PolarHBondContact O-N 3.39Å; R196-L198 VanDerWaalsContact C-N 3.32Å; R196-L198 PolarHBondContact O-N 3.46Å; L198-K201 PolarHBondContact O-N 3.46Å; L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.38Å
199R96Very high94.9Very high161 Ų161117.4 Ų117.461%0.60857%0.568SS**Hα-helixtrans-65-38.9175.5-69175.7-165.2173.710.3112.2E195 R196 A202 K203E195-R199 WeakPolarHBondContact O-CG 3.26Å; E195-R199 PolarHBondContact O-N 2.95Å; E195-R199 IonicContact OE2-NH2 3.25Å; E195-R199 PolarHBondContact OE2-NH2 3.02Å; R196-R199 PolarHBondContact O-N 3.23Å; R199-A202 PolarHBondContact O-N 3.43Å; R199-K203 WeakPolarHBondContact O-CG 3.42Å; R199-K203 PolarHBondContact O-N 3.01Å
200E95.7Very high94.7Very high83 Ų83118.5 Ų118.539%0.38857%0.571SS.*Hα-helixtrans-67.4-40176.4-73.9173178.100111.4R196 N197 K203R196-E200 IonicContact CZ-OE1 3.59Å; R196-E200 IonicContact NE-OE1 3.92Å; R196-E200 PolarHBondContact NE-OE1 3.32Å; R196-E200 IonicContact NH2-OE1 3.4Å; R196-E200 PolarHBondContact NH2-OE1 2.94Å; R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.41Å; N197-E200 PolarHBondContact O-N 3.44Å; E200-K203 PolarHBondContact O-N 3.48Å
201K93.9Very high94.5Very high131 Ų131119.3 Ų119.357%0.5757%0.571SS**Hα-helixtrans-66.8-33.6174.5-77.8173.8174.1160.40113.8N197 L198 K203 N204N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.29Å; N197-K201 VanDerWaalsContact OD1-CE 3.26Å; N197-K201 WeakPolarHBondContact OD1-CE 3.49Å; N197-K201 PolarHBondContact OD1-NZ 3.49Å; L198-K201 PolarHBondContact O-N 3.46Å; K201-K203 PolarHBondContact O-N 3.25Å; K201-N204 PolarHBondContact O-N 3Å; K201-N204 VanDerWaalsContact O-OXT 3.09Å
202A92.3Very high94.2Very high87 Ų87124.2 Ų124.272%0.71959%0.589SS**THydrogen-bonded Turntrans-73.2-12.8177.300000113.7L198 R199L198-A202 WeakPolarHBondContact O-CB 3.44Å; L198-A202 PolarHBondContact O-N 3.38Å; R199-A202 PolarHBondContact O-N 3.43Å
203K89.1Confident93.8Very high176 Ų176126.5 Ų126.577%0.76560%0.595SS**THydrogen-bonded Turntrans-88.6-17.3176-72.7176.9179.4-174.30113.4R199 E200 K201R199-K203 WeakPolarHBondContact O-CG 3.42Å; R199-K203 PolarHBondContact O-N 3.01Å; E200-K203 PolarHBondContact O-N 3.48Å; K201-K203 PolarHBondContact O-N 3.25Å
204N75.6Confident93.4Very high197 Ų197129.5 Ų129.5100%1.05361%0.605SS**  trans-103.20-179.9-67.5-7.9000110.3K201K201-N204 PolarHBondContact O-N 3Å; K201-N204 VanDerWaalsContact O-OXT 3.09Å

Retrieved 204 of 204 residues in 457.7 ms (Link to these results)

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