A0A087YPG5_POEFO Loading...

Serine/arginine-rich splicing factor 9

Plays a role in constitutive splicing and can modulate the selection of alternative splice sites. Represses the splicing of MAPT/Tau exon 10.

AlphaFold DB , UniProt , Accession A0A087YPG5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 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
1M46.2Very low78.6Confident240 Ų24055.9 Ų55.9100%1.18229%0.285SS*.  0120.30-75.3142.7164.500107.2D3M1-D3 PolarHBondContact O-N 3.18Å
2S58.2Low78.7Confident74 Ų7452.5 Ų52.552%0.51727%0.269SS..  trans-58.4126.3174.6-36.70000108G4 P52S2-G4 PolarHBondContact O-N 3.47Å; S2-P52 WeakPolarHBondContact O-CB 3.28Å
3D71.6Confident78.6Confident93 Ų9360.2 Ų60.250%0.49731%0.306SS..  trans-71.812.7-170.4-163.8-111.6000114.2M1 R5 R48M1-D3 PolarHBondContact O-N 3.18Å; D3-R5 PolarHBondContact O-N 3.25Å; D3-R48 PolarHBondContact O-NE 2.72Å; D3-R48 IonicContact OD1-CZ 3.97Å; D3-R48 IonicContact OD1-NE 3.47Å; D3-R48 PolarHBondContact OD1-NE 3.44Å; D3-R48 IonicContact OD1-NH2 3.1Å; D3-R48 PolarHBondContact OD1-NH2 2.82Å; D3-R48 IonicContact OD2-CZ 2.96Å; D3-R48 IonicContact OD2-NE 3.43Å; D3-R48 IonicContact OD2-NH2 3.66Å; D3-R48 PolarHBondContact OD2-NH2 2.76Å
4G81Confident78.8Confident3 Ų364.8 Ų64.83%0.03133%0.332CS..SBendtrans59.414.7-174.600000114.2S2 F49 A55S2-G4 PolarHBondContact O-N 3.47Å; G4-F49 PolarHBondContact O-N 3.43Å; G4-A55 WeakPolarHBondContact O-CB 3.48Å
5R87.2Confident79.1Confident75 Ų7561.1 Ų61.128%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-93.7133.5-176.3-161.1177.8-164.8-170.81.6110.6D3 E34 I47 R48 P77D3-R5 PolarHBondContact O-N 3.25Å; R5-E34 IonicContact CZ-OE2 3.33Å; R5-E34 IonicContact NH2-OE2 2.77Å; R5-E34 PolarHBondContact NH2-OE2 3.43Å; R5-I47 CarbonylContact C-O 3.48Å; R5-I47 VanDerWaalsContact CA-O 3.32Å; R5-I47 WeakPolarHBondContact CA-O 3.29Å; R5-R48 HydrophobicContact CB-CG 4.44Å; R5-R48 HydrophobicContact CG-CB 4.45Å; R5-P77 HydrophobicContact CB-CG 3.97Å; R5-P77 HydrophobicContact CG-CG 3.74Å; R5-P77 WeakPolarHBondContact O-CD 3.31Å
6I88.5Confident79.5Confident0 Ų065 Ų650%033%0.33CS..EExtended strand (participates in β ladder)trans-120150.3174.366.7161.2000110V8 F24 F46 I47 F49 A55 A58 V59 V74 E75I6-V8 HydrophobicContact CD1-CG2 3.96Å; I6-V8 HydrophobicContact CG1-CG2 4.38Å; I6-F24 HydrophobicContact CD1-CD1 3.85Å; I6-F24 HydrophobicContact CD1-CE1 3.65Å; I6-F24 HydrophobicContact CD1-CZ 4.33Å; I6-F46 CarbonylContact O-C 3.59Å; I6-F46 VanDerWaalsContact O-CA 3.3Å; I6-F46 WeakPolarHBondContact O-CA 3.27Å; I6-I47 HydrophobicContact CD1-CB 4.17Å; I6-I47 HydrophobicContact CD1-CD1 4.11Å; I6-I47 HydrophobicContact CG1-CB 3.7Å; I6-I47 HydrophobicContact CG1-CD1 4.48Å; I6-I47 HydrophobicContact CG1-CG1 4.42Å; I6-I47 PolarHBondContact N-O 3.08Å; I6-I47 PolarHBondContact O-N 3.05Å; I6-F49 HydrophobicContact CD1-CE2 3.54Å; I6-F49 HydrophobicContact CD1-CZ 4.25Å; I6-F49 HydrophobicContact CG1-CD2 4.38Å; I6-F49 HydrophobicContact CG1-CE2 3.81Å; I6-F49 HydrophobicContact CG2-CD2 4.48Å; I6-F49 HydrophobicContact CG2-CE2 4.34Å; I6-A55 HydrophobicContact CG2-CB 3.68Å; I6-A58 HydrophobicContact CD1-CB 4.04Å; I6-V59 HydrophobicContact CB-CG2 4.23Å; I6-V59 HydrophobicContact CG2-CG2 3.61Å; I6-V74 HydrophobicContact CB-CG1 4.34Å; I6-V74 HydrophobicContact CD1-CG1 3.69Å; I6-E75 CarbonylContact C-O 3.58Å
7Y88.4Confident79.9Confident56 Ų5667 Ų6722%0.2234%0.338CS..EExtended strand (participates in β ladder)trans-104.4130.1171167.4-97.7000108.5F44 F46 V74 E75Y7-F44 HydrophobicContact CD2-CD2 4.4Å; Y7-F44 HydrophobicContact CE2-CB 3.56Å; Y7-F44 AromaticContact CE2-CD2 3.73Å; Y7-F44 HydrophobicContact CE2-CD2 3.73Å; Y7-F44 AromaticContact CE2-CG 3.81Å; Y7-F44 HydrophobicContact CE2-CG 3.81Å; Y7-F46 AromaticContact CD2-CD1 3.99Å; Y7-F46 HydrophobicContact CD2-CD1 3.99Å; Y7-F46 AromaticContact CD2-CE1 3.46Å; Y7-F46 HydrophobicContact CD2-CE1 3.46Å; Y7-F46 VanDerWaalsContact CD2-CE1 3.46Å; Y7-F46 AromaticContact CD2-CZ 3.8Å; Y7-F46 HydrophobicContact CD2-CZ 3.8Å; Y7-F46 HydrophobicContact CE2-CE1 4.43Å; Y7-F46 HydrophobicContact CE2-CZ 4.37Å; Y7-F46 HydrophobicContact CG-CE1 4.14Å; Y7-V74 CarbonylContact O-C 3.59Å; Y7-V74 VanDerWaalsContact O-CA 3.27Å; Y7-V74 WeakPolarHBondContact O-CA 3.2Å; Y7-E75 WeakPolarHBondContact CA-O 3.36Å; Y7-E75 WeakPolarHBondContact CB-O 3.35Å; Y7-E75 PolarHBondContact N-O 3.43Å; Y7-E75 PolarHBondContact O-N 3.04Å
8V88.7Confident80.2Confident0 Ų073.7 Ų73.70%036%0.358CS..EExtended strand (participates in β ladder)trans-119.2102.1177.4-171.80000108.4I6 L11 F24 F44 A45 I47 R73 V74I6-V8 HydrophobicContact CD1-CG2 3.96Å; I6-V8 HydrophobicContact CG1-CG2 4.38Å; V8-L11 HydrophobicContact CB-CD1 4.44Å; V8-L11 HydrophobicContact CG1-CD1 4.16Å; V8-L11 HydrophobicContact CG1-CD2 3.72Å; V8-L11 HydrophobicContact CG1-CG 4Å; V8-F24 HydrophobicContact CB-CE2 4.43Å; V8-F24 HydrophobicContact CB-CZ 4.34Å; V8-F24 HydrophobicContact CG1-CE2 3.93Å; V8-F24 HydrophobicContact CG1-CZ 3.88Å; V8-F24 HydrophobicContact CG2-CE1 4.2Å; V8-F24 HydrophobicContact CG2-CE2 3.72Å; V8-F24 HydrophobicContact CG2-CZ 3.46Å; V8-F24 VanDerWaalsContact CG2-CZ 3.46Å; V8-F44 CarbonylContact O-C 3.57Å; V8-F44 VanDerWaalsContact O-CA 3.22Å; V8-F44 WeakPolarHBondContact O-CA 3.48Å; V8-A45 PolarHBondContact N-O 2.93Å; V8-A45 PolarHBondContact O-N 3.23Å; V8-I47 HydrophobicContact CG2-CD1 3.7Å; V8-I47 HydrophobicContact CG2-CG1 4.21Å; V8-R73 CarbonylContact C-O 3.52Å; V8-R73 VanDerWaalsContact CA-O 3.31Å; V8-R73 WeakPolarHBondContact CA-O 3.1Å; V8-V74 HydrophobicContact CG1-CG2 4.29Å; V8-V74 HydrophobicContact CG2-CG1 4.35Å; V8-V74 HydrophobicContact CG2-CG2 4.39Å
9G85.6Confident80.5Confident1 Ų172.5 Ų72.51%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-101.8171.2177.500000112.9L11 R73G9-L11 VanDerWaalsContact C-N 3.26Å; G9-L11 PolarHBondContact O-N 3.12Å; G9-R73 PolarHBondContact N-O 3.41Å; G9-R73 PolarHBondContact O-N 3.11Å
10N84.5Confident80.8Confident68 Ų6869 Ų6936%0.36434%0.337SS..SBendtrans59.537.3179.9-157.949.7000113.4V42 S70 K71N10-V42 HydrophobicContact CB-CG1 4.5Å; N10-S70 WeakPolarHBondContact O-CB 3.3Å; N10-K71 VanDerWaalsContact CB-O 3.31Å; N10-K71 WeakPolarHBondContact CB-O 3.37Å; N10-K71 PolarHBondContact ND2-N 2.79Å; N10-K71 PolarHBondContact ND2-O 2.85Å
11L84.7Confident81.1Confident5 Ų570 Ų703%0.02634%0.341CS..  trans-76.1148.4172.5-65.6162.2000109.8V8 G9 V15 I20 L35 P43 A45 L72V8-L11 HydrophobicContact CB-CD1 4.44Å; V8-L11 HydrophobicContact CG1-CD1 4.16Å; V8-L11 HydrophobicContact CG1-CD2 3.72Å; V8-L11 HydrophobicContact CG1-CG 4Å; G9-L11 VanDerWaalsContact C-N 3.26Å; G9-L11 PolarHBondContact O-N 3.12Å; L11-V15 HydrophobicContact CB-CB 4.22Å; L11-V15 HydrophobicContact CB-CG1 3.74Å; L11-V15 HydrophobicContact CB-CG2 4.44Å; L11-V15 HydrophobicContact CD1-CG1 4.24Å; L11-V15 HydrophobicContact CD2-CG2 4.13Å; L11-V15 HydrophobicContact CG-CG1 4.47Å; L11-I20 HydrophobicContact CD1-CD1 3.92Å; L11-I20 HydrophobicContact CD1-CG1 4.49Å; L11-L35 HydrophobicContact CD1-CD1 4.24Å; L11-P43 HydrophobicContact CB-CB 4.22Å; L11-P43 PolarHBondContact N-O 3.28Å; L11-P43 WeakPolarHBondContact O-CD 3.36Å; L11-A45 HydrophobicContact CD1-CB 3.77Å; L11-L72 HydrophobicContact CD2-CD2 3.51Å; L11-L72 HydrophobicContact CG-CD2 4.34Å
12P79.3Confident83Confident15 Ų1564.5 Ų64.510%0.09732%0.316CS..  trans-69.3157.517835.3-39.4000110.9D14 V15 Y67P12-D14 VanDerWaalsContact CB-OD1 3.28Å; P12-D14 WeakPolarHBondContact CB-OD1 3.2Å; P12-D14 PolarHBondContact O-N 3.39Å; P12-V15 HydrophobicContact CG-CB 4.12Å; P12-V15 WeakPolarHBondContact O-CB 3.43Å; P12-V15 VanDerWaalsContact O-CG1 3.31Å; P12-V15 WeakPolarHBondContact O-CG1 3.37Å; P12-V15 PolarHBondContact O-N 3.03Å; P12-V15 VanDerWaalsContact O-N 3.11Å; P12-Y67 HydrophobicContact CG-CD1 3.81Å; P12-Y67 HydrophobicContact CG-CE1 4.01Å
13M77.7Confident84.2Confident152 Ų15261.8 Ų61.875%0.74930%0.296SS*.THydrogen-bonded Turntrans-65.7-23.7-171.9-71.8-167.3177.500113.9N37 P43M13-N37 PolarHBondContact O-ND2 2.81Å; M13-P43 HydrophobicContact CG-CG 4.37Å
14D81.1Confident84.9Confident125 Ų12557.4 Ų57.467%0.66827%0.272SS*.THydrogen-bonded Turntrans-88-1.2178.257.6-47.7000113.5P12P12-D14 VanDerWaalsContact CB-OD1 3.28Å; P12-D14 WeakPolarHBondContact CB-OD1 3.2Å; P12-D14 PolarHBondContact O-N 3.39Å
15V83.3Confident85Confident9 Ų963.7 Ų63.76%0.05530%0.299CS..  trans-61.9138.4-179.780.50000111.9L11 P12 D19 I20 L35 P43L11-V15 HydrophobicContact CB-CB 4.22Å; L11-V15 HydrophobicContact CB-CG1 3.74Å; L11-V15 HydrophobicContact CB-CG2 4.44Å; L11-V15 HydrophobicContact CD1-CG1 4.24Å; L11-V15 HydrophobicContact CD2-CG2 4.13Å; L11-V15 HydrophobicContact CG-CG1 4.47Å; P12-V15 HydrophobicContact CG-CB 4.12Å; P12-V15 WeakPolarHBondContact O-CB 3.43Å; P12-V15 VanDerWaalsContact O-CG1 3.31Å; P12-V15 WeakPolarHBondContact O-CG1 3.37Å; P12-V15 PolarHBondContact O-N 3.03Å; P12-V15 VanDerWaalsContact O-N 3.11Å; V15-D19 HydrophobicContact CG2-CB 4.09Å; V15-I20 HydrophobicContact CG2-CD1 4.14Å; V15-I20 HydrophobicContact CG2-CG1 3.84Å; V15-L35 HydrophobicContact CG1-CD1 3.93Å; V15-L35 HydrophobicContact CG1-CD2 4.31Å; V15-P43 HydrophobicContact CG1-CB 4.38Å
16Q85.8Confident84.9Confident124 Ų12466 Ų6658%0.57931%0.311SS*.  trans-117165.7171.4-57.5-168.4-11.300111.5R18 D19 I20Q16-R18 PolarHBondContact O-N 3.28Å; Q16-D19 WeakPolarHBondContact CB-OD2 3.44Å; Q16-D19 PolarHBondContact N-OD2 3.05Å; Q16-D19 PolarHBondContact O-N 3.17Å; Q16-I20 WeakPolarHBondContact O-CG1 3.39Å; Q16-I20 PolarHBondContact O-N 3.23Å
17E85.9Confident84.5Confident99 Ų9968.4 Ų68.446%0.46332%0.32SS..Hα-helixtrans-59.1-35.6176.1-72.7179140.700112.3I20 E21 I33 L35E17-I20 WeakPolarHBondContact O-CB 3.29Å; E17-I20 PolarHBondContact O-N 3.33Å; E17-E21 WeakPolarHBondContact O-CB 3.39Å; E17-E21 PolarHBondContact O-N 2.99Å; E17-I33 HydrophobicContact CB-CG2 4.44Å; E17-I33 HydrophobicContact CG-CG2 4.12Å; E17-L35 HydrophobicContact CG-CB 3.65Å; E17-L35 HydrophobicContact CG-CD2 4.05Å
18R86.1Confident84.3Confident188 Ų18866.3 Ų66.371%0.70932%0.316SS*.Hα-helixtrans-59.8-44.6174.2-93.5175.7171.5167.5-4.1112.9Q16 I20 E21 D22Q16-R18 PolarHBondContact O-N 3.28Å; R18-I20 PolarHBondContact O-N 3.34Å; R18-E21 WeakPolarHBondContact O-CB 3.31Å; R18-E21 PolarHBondContact O-N 3.33Å; R18-D22 PolarHBondContact O-N 2.76Å
19D86.5Confident84.2Confident51 Ų5172.4 Ų72.427%0.27334%0.342SS..Hα-helixtrans-62-37.2178.3-56.8-58.2000110.9V15 Q16 L23V15-D19 HydrophobicContact CG2-CB 4.09Å; Q16-D19 WeakPolarHBondContact CB-OD2 3.44Å; Q16-D19 PolarHBondContact N-OD2 3.05Å; Q16-D19 PolarHBondContact O-N 3.17Å; D19-L23 WeakPolarHBondContact O-CB 3.31Å; D19-L23 PolarHBondContact O-N 2.77Å
20I86.8Confident84.4Confident2 Ų273.8 Ų73.81%0.0135%0.349CS..Hα-helixtrans-70.3-43.6178.5-63.3167.8000110.1L11 V15 Q16 E17 R18 L23 F24 I33 L35 A45 I47L11-I20 HydrophobicContact CD1-CD1 3.92Å; L11-I20 HydrophobicContact CD1-CG1 4.49Å; V15-I20 HydrophobicContact CG2-CD1 4.14Å; V15-I20 HydrophobicContact CG2-CG1 3.84Å; Q16-I20 WeakPolarHBondContact O-CG1 3.39Å; Q16-I20 PolarHBondContact O-N 3.23Å; E17-I20 WeakPolarHBondContact O-CB 3.29Å; E17-I20 PolarHBondContact O-N 3.33Å; R18-I20 PolarHBondContact O-N 3.34Å; I20-L23 PolarHBondContact O-N 3.26Å; I20-F24 HydrophobicContact CG2-CD2 3.91Å; I20-F24 HydrophobicContact CG2-CE2 4.32Å; I20-F24 WeakPolarHBondContact O-CB 3.43Å; I20-F24 VanDerWaalsContact O-CD2 3.28Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 2.87Å; I20-I33 HydrophobicContact CG2-CG2 4.18Å; I20-L35 HydrophobicContact CD1-CB 4.46Å; I20-L35 HydrophobicContact CD1-CD1 3.81Å; I20-L35 HydrophobicContact CD1-CD2 4.36Å; I20-L35 HydrophobicContact CD1-CG 4.43Å; I20-A45 HydrophobicContact CD1-CB 3.63Å; I20-I47 HydrophobicContact CG2-CD1 3.28Å; I20-I47 HydrophobicContact CG2-CG1 3.8Å
21E87.1Confident84.5Confident90 Ų9078.5 Ų78.542%0.42136%0.362SS..Hα-helixtrans-56.9-54.2174.2-169.3173.4-169.100110.5E17 R18 L23 F24 F25 I30 I33E17-E21 WeakPolarHBondContact O-CB 3.39Å; E17-E21 PolarHBondContact O-N 2.99Å; R18-E21 WeakPolarHBondContact O-CB 3.31Å; R18-E21 PolarHBondContact O-N 3.33Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 2.88Å; E21-F24 PolarHBondContact O-N 3.22Å; E21-F24 VanDerWaalsContact O-N 3.17Å; E21-F25 WeakPolarHBondContact O-CA 3.38Å; E21-F25 WeakPolarHBondContact O-CB 3.18Å; E21-F25 PolarHBondContact O-N 2.85Å; E21-I30 HydrophobicContact CG-CD1 4.32Å; E21-I33 HydrophobicContact CB-CD1 3.74Å; E21-I33 HydrophobicContact CG-CD1 4.23Å
22D85.3Confident84.5Confident125 Ų12582.8 Ų82.867%0.66838%0.382SS*.Hα-helixtrans-58.9-37.1179.3-73.7-28.1000112.5R18R18-D22 PolarHBondContact O-N 2.76Å
23L83.7Confident85Confident17 Ų1783.8 Ų83.89%0.08939%0.386CS..Hα-helixtrans-71.6-33.3-178.5-159104.6000113D19 I20 E21 K26 R62 Y65 Y67 L72D19-L23 WeakPolarHBondContact O-CB 3.31Å; D19-L23 PolarHBondContact O-N 2.77Å; I20-L23 PolarHBondContact O-N 3.26Å; E21-L23 VanDerWaalsContact C-N 3.26Å; E21-L23 PolarHBondContact O-N 2.88Å; L23-K26 WeakPolarHBondContact O-CE 3.45Å; L23-R62 HydrophobicContact CD2-CG 3.82Å; L23-Y65 HydrophobicContact CD1-CD1 4.48Å; L23-Y65 HydrophobicContact CD1-CE1 4.2Å; L23-Y67 HydrophobicContact CD1-CD2 3.57Å; L23-Y67 HydrophobicContact CD1-CE2 3.71Å; L23-Y67 HydrophobicContact CD1-CG 4.37Å; L23-L72 HydrophobicContact CD1-CD1 4.46Å; L23-L72 HydrophobicContact CD2-CD1 3.32Å
24F85.3Confident85.5Confident0 Ų080.5 Ų80.50%037%0.369CS..Hα-helixtrans-107.1-16.5-172.4-74.4-81.6000114.3I6 V8 I20 E21 K26 Y27 I30 I47 F49 A58 R62 V74I6-F24 HydrophobicContact CD1-CD1 3.85Å; I6-F24 HydrophobicContact CD1-CE1 3.65Å; I6-F24 HydrophobicContact CD1-CZ 4.33Å; V8-F24 HydrophobicContact CB-CE2 4.43Å; V8-F24 HydrophobicContact CB-CZ 4.34Å; V8-F24 HydrophobicContact CG1-CE2 3.93Å; V8-F24 HydrophobicContact CG1-CZ 3.88Å; V8-F24 HydrophobicContact CG2-CE1 4.2Å; V8-F24 HydrophobicContact CG2-CE2 3.72Å; V8-F24 HydrophobicContact CG2-CZ 3.46Å; V8-F24 VanDerWaalsContact CG2-CZ 3.46Å; I20-F24 HydrophobicContact CG2-CD2 3.91Å; I20-F24 HydrophobicContact CG2-CE2 4.32Å; I20-F24 WeakPolarHBondContact O-CB 3.43Å; I20-F24 VanDerWaalsContact O-CD2 3.28Å; I20-F24 WeakPolarHBondContact O-CD2 3.46Å; I20-F24 PolarHBondContact O-N 2.87Å; E21-F24 PolarHBondContact O-N 3.22Å; E21-F24 VanDerWaalsContact O-N 3.17Å; F24-K26 PolarHBondContact O-N 3.32Å; F24-Y27 HydrophobicContact CD1-CD2 4.22Å; F24-Y27 PolarHBondContact O-N 3.18Å; F24-I30 HydrophobicContact CB-CD1 3.85Å; F24-I47 HydrophobicContact CB-CD1 3.96Å; F24-I47 HydrophobicContact CD1-CD1 4.08Å; F24-I47 HydrophobicContact CD2-CD1 3.22Å; F24-I47 HydrophobicContact CE1-CD1 4.4Å; F24-I47 HydrophobicContact CE2-CD1 3.62Å; F24-I47 HydrophobicContact CG-CD1 3.48Å; F24-I47 VanDerWaalsContact CG-CD1 3.48Å; F24-I47 HydrophobicContact CZ-CD1 4.2Å; F24-F49 HydrophobicContact CB-CZ 4.07Å; F24-F49 HydrophobicContact CD1-CZ 4.21Å; F24-A58 HydrophobicContact CD1-CB 4.01Å; F24-A58 HydrophobicContact CE1-CB 4.3Å; F24-R62 HydrophobicContact CE1-CB 3.94Å; F24-R62 HydrophobicContact CE1-CG 3.95Å; F24-R62 HydrophobicContact CZ-CB 4.37Å; F24-R62 HydrophobicContact CZ-CG 4.02Å; F24-V74 HydrophobicContact CE1-CG1 4.17Å; F24-V74 HydrophobicContact CE1-CG2 4.09Å; F24-V74 HydrophobicContact CZ-CG1 4.47Å; F24-V74 HydrophobicContact CZ-CG2 3.78Å
25F84.4Confident85.8Confident136 Ų13676.5 Ų76.560%0.59635%0.347SS*.THydrogen-bonded Turntrans-57.5-31.8178.9178.9-95000113E21 Y27 G28E21-F25 WeakPolarHBondContact O-CA 3.38Å; E21-F25 WeakPolarHBondContact O-CB 3.18Å; E21-F25 PolarHBondContact O-N 2.85Å; F25-Y27 PolarHBondContact O-N 3.32Å; F25-G28 PolarHBondContact O-N 3.33Å
26K83.4Confident85.9Confident124 Ų12480.3 Ų80.354%0.53936%0.363SS..THydrogen-bonded Turntrans-66.3-19.9177.465.3177.2171.5175.80114.8L23 F24L23-K26 WeakPolarHBondContact O-CE 3.45Å; F24-K26 PolarHBondContact O-N 3.32Å
27Y82.1Confident85.6Confident49 Ų4978.3 Ų78.319%0.19236%0.356CS..THydrogen-bonded Turntrans-91.2-28.5179.6-63.2-75.1000112F24 F25 D54 D57 A58 G61 R62F24-Y27 HydrophobicContact CD1-CD2 4.22Å; F24-Y27 PolarHBondContact O-N 3.18Å; F25-Y27 PolarHBondContact O-N 3.32Å; Y27-D54 WeakPolarHBondContact O-CB 3.5Å; Y27-D57 HydrophobicContact CD1-CB 4.36Å; Y27-A58 HydrophobicContact CD2-CB 4.14Å; Y27-A58 HydrophobicContact CG-CB 4Å; Y27-G61 PolarHBondContact OH-O 3.4Å; Y27-R62 HydrophobicContact CE2-CB 4.1Å; Y27-R62 HydrophobicContact CE2-CG 4.23Å; Y27-R62 WeakPolarHBondContact OH-CD 3.45Å
28G83.8Confident85.1Confident12 Ų1277 Ų7712%0.12435%0.352CS..SBendtrans173.1170-179.900000112.8F25 I30 D54F25-G28 PolarHBondContact O-N 3.33Å; G28-I30 PolarHBondContact O-N 2.81Å; G28-D54 VanDerWaalsContact CA-OD2 3.27Å; G28-D54 WeakPolarHBondContact CA-OD2 3.48Å
29K85.8Confident84.1Confident128 Ų12880.2 Ų80.256%0.55736%0.364SS*.  trans-73.3121-179.7-175.8156.8157.5-115.50110E50K29-E50 HydrophobicContact CB-CB 4.36Å; K29-E50 WeakPolarHBondContact CD-OE2 3.47Å; K29-E50 WeakPolarHBondContact CE-OE2 3.47Å; K29-E50 WeakPolarHBondContact CG-OE2 3.49Å; K29-E50 IonicContact NZ-OE1 2.85Å; K29-E50 IonicContact NZ-OE2 2.9Å; K29-E50 PolarHBondContact NZ-OE2 2.96Å; K29-E50 PolarHBondContact O-N 3.5Å
30I88.9Confident83.1Confident30 Ų3081.6 Ų81.615%0.15439%0.391CS..EExtended strand (participates in β ladder)trans-83.4127.4-179.5-58.7169000108.7E21 F24 G28 I33 I47 F49E21-I30 HydrophobicContact CG-CD1 4.32Å; F24-I30 HydrophobicContact CB-CD1 3.85Å; G28-I30 PolarHBondContact O-N 2.81Å; I30-I33 HydrophobicContact CD1-CD1 4.23Å; I30-I33 HydrophobicContact CG2-CD1 4Å; I30-I33 HydrophobicContact CG2-CG1 3.48Å; I30-I33 VanDerWaalsContact CG2-CG1 3.48Å; I30-I47 HydrophobicContact CB-CG2 4.37Å; I30-I47 HydrophobicContact CD1-CG2 4.16Å; I30-I47 HydrophobicContact CG1-CG2 3.95Å; I30-I47 HydrophobicContact CG2-CG2 3.58Å; I30-F49 HydrophobicContact CG1-CD1 4.2Å; I30-F49 HydrophobicContact CG1-CE1 3.85Å; I30-F49 HydrophobicContact CG1-CZ 4.5Å
31R88.2Confident82.4Confident168 Ų16884.4 Ų84.463%0.63441%0.408SS*.EExtended strand (participates in β ladder)trans-89.3-38.2176.2178.7179.3158.3164.1-0.6111.8R48R31-R48 WeakPolarHBondContact CA-O 3.15Å; R31-R48 WeakPolarHBondContact CB-O 3.19Å; R31-R48 PolarHBondContact N-O 3.04Å
32E84.6Confident82.1Confident95 Ų9584 Ų8444%0.44441%0.412SS..EExtended strand (participates in β ladder)trans-153.7137.6-174.8-169.9176.6-174.300110.8I47 R48E32-I47 CarbonylContact O-C 3.49Å; E32-I47 WeakPolarHBondContact O-CA 3.48Å; E32-R48 HydrophobicContact CB-CB 4.08Å; E32-R48 PolarHBondContact N-O 2.9Å; E32-R48 PolarHBondContact O-N 2.89Å
33I89.2Confident82.1Confident35 Ų3578.2 Ų78.218%0.17938%0.381CS..EExtended strand (participates in β ladder)trans-121.3130.5173-56.2176.4000107.3E17 I20 E21 I30 F46E17-I33 HydrophobicContact CB-CG2 4.44Å; E17-I33 HydrophobicContact CG-CG2 4.12Å; I20-I33 HydrophobicContact CG2-CG2 4.18Å; E21-I33 HydrophobicContact CB-CD1 3.74Å; E21-I33 HydrophobicContact CG-CD1 4.23Å; I30-I33 HydrophobicContact CD1-CD1 4.23Å; I30-I33 HydrophobicContact CG2-CD1 4Å; I30-I33 HydrophobicContact CG2-CG1 3.48Å; I30-I33 VanDerWaalsContact CG2-CG1 3.48Å; I33-F46 CarbonylContact C-O 3.52Å
34E88.3Confident82.2Confident84 Ų8479.6 Ų79.639%0.39339%0.386SS..EExtended strand (participates in β ladder)trans-124.195.4174.4-172.7-171.8164.900108.5R5 A45 F46R5-E34 IonicContact CZ-OE2 3.33Å; R5-E34 IonicContact NH2-OE2 2.77Å; R5-E34 PolarHBondContact NH2-OE2 3.43Å; E34-A45 CarbonylContact O-C 3.5Å; E34-A45 WeakPolarHBondContact O-CA 3.37Å; E34-F46 HydrophobicContact CB-CB 4.3Å; E34-F46 PolarHBondContact N-O 2.9Å; E34-F46 PolarHBondContact O-N 3.44Å
35L88.3Confident82.5Confident41 Ų4179.6 Ų79.622%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-85124.3175.8176.959.3000111.3L11 V15 E17 I20 A45L11-L35 HydrophobicContact CD1-CD1 4.24Å; V15-L35 HydrophobicContact CG1-CD1 3.93Å; V15-L35 HydrophobicContact CG1-CD2 4.31Å; E17-L35 HydrophobicContact CG-CB 3.65Å; E17-L35 HydrophobicContact CG-CD2 4.05Å; I20-L35 HydrophobicContact CD1-CB 4.46Å; I20-L35 HydrophobicContact CD1-CD1 3.81Å; I20-L35 HydrophobicContact CD1-CD2 4.36Å; I20-L35 HydrophobicContact CD1-CG 4.43Å; L35-A45 HydrophobicContact CD1-CB 4.06Å
36K84.1Confident82.8Confident88 Ų8875.2 Ų75.238%0.38337%0.367SS..EExtended strand (participates in β ladder)trans-113.6100.4175.5-160.961.5160.4-174.80111.4N38 F44K36-N38 VanDerWaalsContact CE-OD1 3.27Å; K36-N38 WeakPolarHBondContact CE-OD1 3.12Å; K36-F44 CarbonylContact C-O 3.54Å; K36-F44 WeakPolarHBondContact CA-O 2.86Å; K36-F44 HydrophobicContact CB-CD1 4.34Å; K36-F44 HydrophobicContact CB-CD2 3.79Å; K36-F44 HydrophobicContact CB-CE1 4Å; K36-F44 HydrophobicContact CB-CE2 3.39Å; K36-F44 HydrophobicContact CB-CG 4.27Å; K36-F44 HydrophobicContact CB-CZ 3.53Å; K36-F44 HydrophobicContact CG-CE1 3.91Å; K36-F44 HydrophobicContact CG-CE2 3.77Å; K36-F44 HydrophobicContact CG-CZ 3.39Å; K36-F44 PolarHBondContact N-O 3.42Å; K36-F44 PolarHBondContact O-N 3.38Å
37N80.5Confident83.1Confident82 Ų8269.3 Ų69.344%0.43934%0.341SS..  trans-111.382.2174.9-169.6-0.6000110.2M13 P43M13-N37 PolarHBondContact O-ND2 2.81Å; N37-P43 HydrophobicContact CB-CB 4.48Å
38N74.8Confident83.4Confident71 Ų7169.6 Ų69.638%0.3834%0.342SS..  trans-89.3132.5176.1-57.5-45.4000110.5K36 G40 T41K36-N38 VanDerWaalsContact CE-OD1 3.27Å; K36-N38 WeakPolarHBondContact CE-OD1 3.12Å; N38-G40 PolarHBondContact O-N 2.92Å; N38-T41 PolarHBondContact O-N 3.42Å; N38-T41 VanDerWaalsContact O-N 3.11Å; N38-T41 PolarHBondContact O-OG1 3.23Å; N38-T41 VanDerWaalsContact O-OG1 3.14Å
39R65.6Low83.6Confident256 Ų25669.2 Ų69.297%0.96634%0.337SS*.THydrogen-bonded Turntrans-57.2119.8176.6-68.4-176.9-156.2-153.43.1110.6
40G65.5Low83.6Confident80 Ų8068.8 Ų68.883%0.82534%0.337SS*.THydrogen-bonded Turntrans99.1-2.4178.800000115.4N38N38-G40 PolarHBondContact O-N 2.92Å
41T72.6Confident83.2Confident62 Ų6269.8 Ų69.838%0.3834%0.343SS..SBendtrans-123.6153.6170.854.70000111N38N38-T41 PolarHBondContact O-N 3.42Å; N38-T41 VanDerWaalsContact O-N 3.11Å; N38-T41 PolarHBondContact O-OG1 3.23Å; N38-T41 VanDerWaalsContact O-OG1 3.14Å
42V79.2Confident82.8Confident82 Ų8264.1 Ų64.150%0.49733%0.328SS..  trans-60.7129.7174.5-172.60000108.9N10N10-V42 HydrophobicContact CB-CG1 4.5Å
43P85.1Confident82.7Confident2 Ų267.7 Ų67.71%0.01334%0.337CS..  trans-57.9142.8177.4-16.924.6000111.5L11 M13 V15 N37L11-P43 HydrophobicContact CB-CB 4.22Å; L11-P43 PolarHBondContact N-O 3.28Å; L11-P43 WeakPolarHBondContact O-CD 3.36Å; M13-P43 HydrophobicContact CG-CG 4.37Å; V15-P43 HydrophobicContact CG1-CB 4.38Å; N37-P43 HydrophobicContact CB-CB 4.48Å
44F87.6Confident82.5Confident46 Ų4667.8 Ų67.820%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-143.9154.9175.361.6-91.1000110.6Y7 V8 K36 F46Y7-F44 HydrophobicContact CD2-CD2 4.4Å; Y7-F44 HydrophobicContact CE2-CB 3.56Å; Y7-F44 AromaticContact CE2-CD2 3.73Å; Y7-F44 HydrophobicContact CE2-CD2 3.73Å; Y7-F44 AromaticContact CE2-CG 3.81Å; Y7-F44 HydrophobicContact CE2-CG 3.81Å; V8-F44 CarbonylContact O-C 3.57Å; V8-F44 VanDerWaalsContact O-CA 3.22Å; V8-F44 WeakPolarHBondContact O-CA 3.48Å; K36-F44 CarbonylContact C-O 3.54Å; K36-F44 WeakPolarHBondContact CA-O 2.86Å; K36-F44 HydrophobicContact CB-CD1 4.34Å; K36-F44 HydrophobicContact CB-CD2 3.79Å; K36-F44 HydrophobicContact CB-CE1 4Å; K36-F44 HydrophobicContact CB-CE2 3.39Å; K36-F44 HydrophobicContact CB-CG 4.27Å; K36-F44 HydrophobicContact CB-CZ 3.53Å; K36-F44 HydrophobicContact CG-CE1 3.91Å; K36-F44 HydrophobicContact CG-CE2 3.77Å; K36-F44 HydrophobicContact CG-CZ 3.39Å; K36-F44 PolarHBondContact N-O 3.42Å; K36-F44 PolarHBondContact O-N 3.38Å; F44-F46 HydrophobicContact CD2-CD2 4.48Å; F44-F46 AromaticContact CD2-CE2 3.94Å; F44-F46 HydrophobicContact CD2-CE2 3.94Å; F44-F46 HydrophobicContact CD2-CZ 4.39Å; F44-F46 HydrophobicContact CE2-CD2 4.46Å; F44-F46 AromaticContact CE2-CE2 3.67Å; F44-F46 HydrophobicContact CE2-CE2 3.67Å; F44-F46 HydrophobicContact CE2-CZ 4.25Å
45A89.9Confident82.1Confident0 Ų063.8 Ų63.80%032%0.319CS..EExtended strand (participates in β ladder)trans-130.3154.4176.500000111.5V8 L11 I20 E34 L35V8-A45 PolarHBondContact N-O 2.93Å; V8-A45 PolarHBondContact O-N 3.23Å; L11-A45 HydrophobicContact CD1-CB 3.77Å; I20-A45 HydrophobicContact CD1-CB 3.63Å; E34-A45 CarbonylContact O-C 3.5Å; E34-A45 WeakPolarHBondContact O-CA 3.37Å; L35-A45 HydrophobicContact CD1-CB 4.06Å
46F90.4Very high81.7Confident44 Ų4466.6 Ų66.619%0.19333%0.332CS..EExtended strand (participates in β ladder)trans-112.1132.4164.2-62.3-81.5000109.1I6 Y7 I33 E34 F44 P77I6-F46 CarbonylContact O-C 3.59Å; I6-F46 VanDerWaalsContact O-CA 3.3Å; I6-F46 WeakPolarHBondContact O-CA 3.27Å; Y7-F46 AromaticContact CD2-CD1 3.99Å; Y7-F46 HydrophobicContact CD2-CD1 3.99Å; Y7-F46 AromaticContact CD2-CE1 3.46Å; Y7-F46 HydrophobicContact CD2-CE1 3.46Å; Y7-F46 VanDerWaalsContact CD2-CE1 3.46Å; Y7-F46 AromaticContact CD2-CZ 3.8Å; Y7-F46 HydrophobicContact CD2-CZ 3.8Å; Y7-F46 HydrophobicContact CE2-CE1 4.43Å; Y7-F46 HydrophobicContact CE2-CZ 4.37Å; Y7-F46 HydrophobicContact CG-CE1 4.14Å; I33-F46 CarbonylContact C-O 3.52Å; E34-F46 HydrophobicContact CB-CB 4.3Å; E34-F46 PolarHBondContact N-O 2.9Å; E34-F46 PolarHBondContact O-N 3.44Å; F44-F46 HydrophobicContact CD2-CD2 4.48Å; F44-F46 AromaticContact CD2-CE2 3.94Å; F44-F46 HydrophobicContact CD2-CE2 3.94Å; F44-F46 HydrophobicContact CD2-CZ 4.39Å; F44-F46 HydrophobicContact CE2-CD2 4.46Å; F44-F46 AromaticContact CE2-CE2 3.67Å; F44-F46 HydrophobicContact CE2-CE2 3.67Å; F44-F46 HydrophobicContact CE2-CZ 4.25Å; F46-P77 HydrophobicContact CD1-CB 4.2Å; F46-P77 HydrophobicContact CD1-CG 4.06Å; F46-P77 HydrophobicContact CE1-CB 3.98Å; F46-P77 HydrophobicContact CE1-CG 4.34Å
47I90.4Very high81.4Confident0 Ų067.1 Ų67.10%034%0.338CS..EExtended strand (participates in β ladder)trans-119.7132.4178.3-53.1172.6000107.1R5 I6 V8 I20 F24 I30 E32 F49R5-I47 CarbonylContact C-O 3.48Å; R5-I47 VanDerWaalsContact CA-O 3.32Å; R5-I47 WeakPolarHBondContact CA-O 3.29Å; I6-I47 HydrophobicContact CD1-CB 4.17Å; I6-I47 HydrophobicContact CD1-CD1 4.11Å; I6-I47 HydrophobicContact CG1-CB 3.7Å; I6-I47 HydrophobicContact CG1-CD1 4.48Å; I6-I47 HydrophobicContact CG1-CG1 4.42Å; I6-I47 PolarHBondContact N-O 3.08Å; I6-I47 PolarHBondContact O-N 3.05Å; V8-I47 HydrophobicContact CG2-CD1 3.7Å; V8-I47 HydrophobicContact CG2-CG1 4.21Å; I20-I47 HydrophobicContact CG2-CD1 3.28Å; I20-I47 HydrophobicContact CG2-CG1 3.8Å; F24-I47 HydrophobicContact CB-CD1 3.96Å; F24-I47 HydrophobicContact CD1-CD1 4.08Å; F24-I47 HydrophobicContact CD2-CD1 3.22Å; F24-I47 HydrophobicContact CE1-CD1 4.4Å; F24-I47 HydrophobicContact CE2-CD1 3.62Å; F24-I47 HydrophobicContact CG-CD1 3.48Å; F24-I47 VanDerWaalsContact CG-CD1 3.48Å; F24-I47 HydrophobicContact CZ-CD1 4.2Å; I30-I47 HydrophobicContact CB-CG2 4.37Å; I30-I47 HydrophobicContact CD1-CG2 4.16Å; I30-I47 HydrophobicContact CG1-CG2 3.95Å; I30-I47 HydrophobicContact CG2-CG2 3.58Å; E32-I47 CarbonylContact O-C 3.49Å; E32-I47 WeakPolarHBondContact O-CA 3.48Å; I47-F49 HydrophobicContact CG2-CD2 4.4Å; I47-F49 HydrophobicContact CG2-CE2 4.05Å; I47-F49 HydrophobicContact CG2-CZ 4.21Å
48R88.8Confident81.5Confident55 Ų5563.2 Ų63.221%0.20832%0.317CS..EExtended strand (participates in β ladder)trans-110.7119.9172.7-165178.4-170.6-179.72.4108.7D3 R5 R31 E32D3-R48 PolarHBondContact O-NE 2.72Å; D3-R48 IonicContact OD1-CZ 3.97Å; D3-R48 IonicContact OD1-NE 3.47Å; D3-R48 PolarHBondContact OD1-NE 3.44Å; D3-R48 IonicContact OD1-NH2 3.1Å; D3-R48 PolarHBondContact OD1-NH2 2.82Å; D3-R48 IonicContact OD2-CZ 2.96Å; D3-R48 IonicContact OD2-NE 3.43Å; D3-R48 IonicContact OD2-NH2 3.66Å; D3-R48 PolarHBondContact OD2-NH2 2.76Å; R5-R48 HydrophobicContact CB-CG 4.44Å; R5-R48 HydrophobicContact CG-CB 4.45Å; R31-R48 WeakPolarHBondContact CA-O 3.15Å; R31-R48 WeakPolarHBondContact CB-O 3.19Å; R31-R48 PolarHBondContact N-O 3.04Å; E32-R48 HydrophobicContact CB-CB 4.08Å; E32-R48 PolarHBondContact N-O 2.9Å; E32-R48 PolarHBondContact O-N 2.89Å
49F87.8Confident81.8Confident4 Ų460.6 Ų60.62%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-83.5159.1173.5-71.3-84.6000111.3G4 I6 F24 I30 I47 D51 D54 A55 A58G4-F49 PolarHBondContact O-N 3.43Å; I6-F49 HydrophobicContact CD1-CE2 3.54Å; I6-F49 HydrophobicContact CD1-CZ 4.25Å; I6-F49 HydrophobicContact CG1-CD2 4.38Å; I6-F49 HydrophobicContact CG1-CE2 3.81Å; I6-F49 HydrophobicContact CG2-CD2 4.48Å; I6-F49 HydrophobicContact CG2-CE2 4.34Å; F24-F49 HydrophobicContact CB-CZ 4.07Å; F24-F49 HydrophobicContact CD1-CZ 4.21Å; I30-F49 HydrophobicContact CG1-CD1 4.2Å; I30-F49 HydrophobicContact CG1-CE1 3.85Å; I30-F49 HydrophobicContact CG1-CZ 4.5Å; I47-F49 HydrophobicContact CG2-CD2 4.4Å; I47-F49 HydrophobicContact CG2-CE2 4.05Å; I47-F49 HydrophobicContact CG2-CZ 4.21Å; F49-D51 WeakPolarHBondContact CB-O 3.5Å; F49-D54 HydrophobicContact CB-CB 4.25Å; F49-D54 HydrophobicContact CD1-CB 3.99Å; F49-D54 HydrophobicContact CG-CB 4.17Å; F49-A55 HydrophobicContact CB-CB 4.43Å; F49-A55 HydrophobicContact CD2-CB 3.75Å; F49-A55 HydrophobicContact CE2-CB 4.46Å; F49-A55 HydrophobicContact CG-CB 4.41Å; F49-A58 HydrophobicContact CE2-CB 3.73Å; F49-A58 HydrophobicContact CZ-CB 3.7Å
50E84.9Confident82.3Confident119 Ų11957.4 Ų57.456%0.55630%0.298SS*.SBendtrans-69.5-45.6170.6-168169.7-175.100111.2K29K29-E50 HydrophobicContact CB-CB 4.36Å; K29-E50 WeakPolarHBondContact CD-OE2 3.47Å; K29-E50 WeakPolarHBondContact CE-OE2 3.47Å; K29-E50 WeakPolarHBondContact CG-OE2 3.49Å; K29-E50 IonicContact NZ-OE1 2.85Å; K29-E50 IonicContact NZ-OE2 2.9Å; K29-E50 PolarHBondContact NZ-OE2 2.96Å; K29-E50 PolarHBondContact O-N 3.5Å
51D82.6Confident82.7Confident51 Ų5155.5 Ų55.527%0.27328%0.278SS..SBendtrans-101.7129.7172.9-162.7-40.7000110.9F49 R53 D54F49-D51 WeakPolarHBondContact CB-O 3.5Å; D51-R53 PolarHBondContact O-N 3Å; D51-R53 VanDerWaalsContact OD1-CB 3.29Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.46Å; D51-R53 PolarHBondContact OD1-N 3.25Å; D51-R53 IonicContact OD1-NE 3.83Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD2-CZ 2.72Å; D51-R53 IonicContact OD2-NE 3.97Å; D51-R53 PolarHBondContact OD2-NE 3.31Å; D51-R53 IonicContact OD2-NH2 3.58Å; D51-D54 WeakPolarHBondContact O-CB 3.47Å; D51-D54 PolarHBondContact O-N 3.45Å
52P79.3Confident82.7Confident50 Ų5053.4 Ų53.433%0.32526%0.263SS..Hα-helixtrans-63.2-19.9172.926.3-36.1000114.8S2 A55 E56S2-P52 WeakPolarHBondContact O-CB 3.28Å; P52-A55 WeakPolarHBondContact O-CB 3.32Å; P52-A55 PolarHBondContact O-N 2.74Å; P52-E56 PolarHBondContact O-N 2.91Å
53R82.5Confident82.7Confident170 Ų17052.4 Ų52.464%0.64226%0.255SS*.Hα-helixtrans-68.5-41.3173-69178.9-100.5-162.4-9111.5D51 A55 E56 D57D51-R53 PolarHBondContact O-N 3Å; D51-R53 VanDerWaalsContact OD1-CB 3.29Å; D51-R53 WeakPolarHBondContact OD1-CB 3.44Å; D51-R53 WeakPolarHBondContact OD1-CG 3.46Å; D51-R53 PolarHBondContact OD1-N 3.25Å; D51-R53 IonicContact OD1-NE 3.83Å; D51-R53 PolarHBondContact OD1-NE 2.92Å; D51-R53 IonicContact OD2-CZ 2.72Å; D51-R53 IonicContact OD2-NE 3.97Å; D51-R53 PolarHBondContact OD2-NE 3.31Å; D51-R53 IonicContact OD2-NH2 3.58Å; R53-A55 PolarHBondContact O-N 3.21Å; R53-E56 WeakPolarHBondContact O-CA 3.43Å; R53-E56 VanDerWaalsContact O-CB 3.31Å; R53-E56 WeakPolarHBondContact O-CB 3.46Å; R53-E56 PolarHBondContact O-N 2.8Å; R53-D57 PolarHBondContact O-N 2.83Å; R53-D57 VanDerWaalsContact O-N 3.12Å
54D84.3Confident82Confident37 Ų3753.4 Ų53.420%0.19827%0.265CS..Hα-helixtrans-61-33.5176-57.2-6000111.4Y27 G28 F49 D51 E56 D57 A58Y27-D54 WeakPolarHBondContact O-CB 3.5Å; G28-D54 VanDerWaalsContact CA-OD2 3.27Å; G28-D54 WeakPolarHBondContact CA-OD2 3.48Å; F49-D54 HydrophobicContact CB-CB 4.25Å; F49-D54 HydrophobicContact CD1-CB 3.99Å; F49-D54 HydrophobicContact CG-CB 4.17Å; D51-D54 WeakPolarHBondContact O-CB 3.47Å; D51-D54 PolarHBondContact O-N 3.45Å; D54-E56 VanDerWaalsContact C-N 3.34Å; D54-D57 PolarHBondContact O-N 3.39Å; D54-A58 VanDerWaalsContact O-CB 3.31Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 2.78Å
55A80.7Confident81.5Confident0 Ų055.8 Ų55.80%027%0.274CS..Hα-helixtrans-65.4-34.9173.700000112.7G4 I6 F49 P52 R53 V59G4-A55 WeakPolarHBondContact O-CB 3.48Å; I6-A55 HydrophobicContact CG2-CB 3.68Å; F49-A55 HydrophobicContact CB-CB 4.43Å; F49-A55 HydrophobicContact CD2-CB 3.75Å; F49-A55 HydrophobicContact CE2-CB 4.46Å; F49-A55 HydrophobicContact CG-CB 4.41Å; P52-A55 WeakPolarHBondContact O-CB 3.32Å; P52-A55 PolarHBondContact O-N 2.74Å; R53-A55 PolarHBondContact O-N 3.21Å; A55-V59 WeakPolarHBondContact O-CG2 3.06Å; A55-V59 PolarHBondContact O-N 3.34Å; A55-V59 VanDerWaalsContact O-N 3.08Å
56E79.2Confident80.6Confident100 Ų10059 Ų5947%0.46730%0.3SS..Hα-helixtrans-65.6-47.2173-74.5168.5-162.500111.4P52 R53 D54 A58 V59 F60 Y76P52-E56 PolarHBondContact O-N 2.91Å; R53-E56 WeakPolarHBondContact O-CA 3.43Å; R53-E56 VanDerWaalsContact O-CB 3.31Å; R53-E56 WeakPolarHBondContact O-CB 3.46Å; R53-E56 PolarHBondContact O-N 2.8Å; D54-E56 VanDerWaalsContact C-N 3.34Å; E56-A58 VanDerWaalsContact C-N 3.33Å; E56-A58 PolarHBondContact O-N 3.17Å; E56-V59 PolarHBondContact O-N 3.27Å; E56-F60 WeakPolarHBondContact O-CB 3.44Å; E56-F60 PolarHBondContact O-N 2.69Å; E56-Y76 WeakPolarHBondContact CA-OH 3.33Å; E56-Y76 WeakPolarHBondContact CG-OH 3.27Å; E56-Y76 PolarHBondContact N-OH 3.27Å
57D78.8Confident79.8Confident98 Ų9860.2 Ų60.252%0.52430%0.304SS..Hα-helixtrans-64.8-37.7178.6-71.1-27.7000112.1Y27 R53 D54 F60 G61Y27-D57 HydrophobicContact CD1-CB 4.36Å; R53-D57 PolarHBondContact O-N 2.83Å; R53-D57 VanDerWaalsContact O-N 3.12Å; D54-D57 PolarHBondContact O-N 3.39Å; D57-F60 PolarHBondContact O-N 3.4Å; D57-G61 WeakPolarHBondContact O-CA 3.47Å; D57-G61 PolarHBondContact O-N 2.88Å
58A80.9Confident78.9Confident0 Ų063.4 Ų63.40%034%0.337CS..Hα-helixtrans-65.1-41.3174.300000112.6I6 F24 Y27 F49 D54 E56 R62I6-A58 HydrophobicContact CD1-CB 4.04Å; F24-A58 HydrophobicContact CD1-CB 4.01Å; F24-A58 HydrophobicContact CE1-CB 4.3Å; Y27-A58 HydrophobicContact CD2-CB 4.14Å; Y27-A58 HydrophobicContact CG-CB 4Å; F49-A58 HydrophobicContact CE2-CB 3.73Å; F49-A58 HydrophobicContact CZ-CB 3.7Å; D54-A58 VanDerWaalsContact O-CB 3.31Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 2.78Å; E56-A58 VanDerWaalsContact C-N 3.33Å; E56-A58 PolarHBondContact O-N 3.17Å; A58-R62 WeakPolarHBondContact O-CB 2.9Å; A58-R62 PolarHBondContact O-N 2.85Å
59V81.2Confident78.1Confident16 Ų1669 Ų6910%0.09737%0.371CS..Hα-helixtrans-66.7-44.9176.7170.30000110.5I6 A55 E56 N63 V74 Y76I6-V59 HydrophobicContact CB-CG2 4.23Å; I6-V59 HydrophobicContact CG2-CG2 3.61Å; A55-V59 WeakPolarHBondContact O-CG2 3.06Å; A55-V59 PolarHBondContact O-N 3.34Å; A55-V59 VanDerWaalsContact O-N 3.08Å; E56-V59 PolarHBondContact O-N 3.27Å; V59-N63 WeakPolarHBondContact O-CB 3.5Å; V59-N63 PolarHBondContact O-N 3.06Å; V59-V74 HydrophobicContact CB-CG1 4.38Å; V59-V74 HydrophobicContact CG2-CG1 3.89Å; V59-Y76 HydrophobicContact CB-CE2 4.43Å; V59-Y76 HydrophobicContact CG1-CE2 4.25Å; V59-Y76 HydrophobicContact CG2-CE1 4.43Å; V59-Y76 HydrophobicContact CG2-CE2 4.1Å
60F77.1Confident77.3Confident190 Ų19070.1 Ų70.183%0.83338%0.379SS*.Hα-helixtrans-70.5-44.4-178.6-168.5-97.6000112.1E56 D57E56-F60 WeakPolarHBondContact O-CB 3.44Å; E56-F60 PolarHBondContact O-N 2.69Å; D57-F60 PolarHBondContact O-N 3.4Å
61G73.3Confident77.1Confident40 Ų4068.9 Ų68.941%0.41237%0.372SS..Hα-helixtrans-83.1-17.5-173.900000115.3Y27 D57Y27-G61 PolarHBondContact OH-O 3.4Å; D57-G61 WeakPolarHBondContact O-CA 3.47Å; D57-G61 PolarHBondContact O-N 2.88Å
62R73.5Confident77.2Confident17 Ų1766.6 Ų66.66%0.06436%0.36CS..Hα-helixtrans-124.1-8.7-172.7-146.364.7167.11681.5115.3L23 F24 Y27 A58 G64 Y65 V74L23-R62 HydrophobicContact CD2-CG 3.82Å; F24-R62 HydrophobicContact CE1-CB 3.94Å; F24-R62 HydrophobicContact CE1-CG 3.95Å; F24-R62 HydrophobicContact CZ-CB 4.37Å; F24-R62 HydrophobicContact CZ-CG 4.02Å; Y27-R62 HydrophobicContact CE2-CB 4.1Å; Y27-R62 HydrophobicContact CE2-CG 4.23Å; Y27-R62 WeakPolarHBondContact OH-CD 3.45Å; A58-R62 WeakPolarHBondContact O-CB 2.9Å; A58-R62 PolarHBondContact O-N 2.85Å; R62-G64 PolarHBondContact O-N 3.31Å; R62-Y65 VanDerWaalsContact CZ-CE2 3.49Å; R62-Y65 VanDerWaalsContact CZ-CG 3.47Å; R62-Y65 PolarHBondContact NH2-OH 2.86Å; R62-Y65 VanDerWaalsContact O-CB 3.29Å; R62-Y65 WeakPolarHBondContact O-CB 3.31Å; R62-Y65 PolarHBondContact O-N 2.83Å; R62-V74 HydrophobicContact CB-CG2 4.11Å
63N79.4Confident77.3Confident62 Ų6269.9 Ų69.933%0.33237%0.366SS..THydrogen-bonded Turntrans-66.9123.9170.8-175.943.1000110.9V59 V74V59-N63 WeakPolarHBondContact O-CB 3.5Å; V59-N63 PolarHBondContact O-N 3.06Å; N63-V74 HydrophobicContact CB-CB 4.08Å; N63-V74 WeakPolarHBondContact CB-O 3.49Å; N63-V74 PolarHBondContact OD1-N 2.84Å; N63-V74 PolarHBondContact OD1-O 3.21Å
64G69.7Low77.5Confident22 Ų2261.8 Ų61.823%0.22734%0.335CS..THydrogen-bonded Turntrans84.27-175.100000114.6R62 A66 L72R62-G64 PolarHBondContact O-N 3.31Å; G64-A66 PolarHBondContact O-N 3.49Å; G64-L72 WeakPolarHBondContact CA-O 3.28Å; G64-L72 PolarHBondContact N-O 2.67Å
65Y76.2Confident77.4Confident96 Ų9662.1 Ų62.138%0.37634%0.336SS..  trans-65.9128178.1-176.1-102.5000111.3L23 R62 Y67 L72L23-Y65 HydrophobicContact CD1-CD1 4.48Å; L23-Y65 HydrophobicContact CD1-CE1 4.2Å; R62-Y65 VanDerWaalsContact CZ-CE2 3.49Å; R62-Y65 VanDerWaalsContact CZ-CG 3.47Å; R62-Y65 PolarHBondContact NH2-OH 2.86Å; R62-Y65 VanDerWaalsContact O-CB 3.29Å; R62-Y65 WeakPolarHBondContact O-CB 3.31Å; R62-Y65 PolarHBondContact O-N 2.83Å; Y65-Y67 HydrophobicContact CE1-CD2 4.18Å; Y65-Y67 PolarHBondContact O-N 2.77Å; Y65-L72 HydrophobicContact CD1-CD1 4.08Å; Y65-L72 WeakPolarHBondContact O-CG 3.22Å; Y65-L72 PolarHBondContact O-N 2.73Å
66A72.3Confident77.6Confident67 Ų6766.5 Ų66.555%0.55435%0.353SS*.EExtended strand (participates in β ladder)trans-75.6111.8174.400000109.6G64G64-A66 PolarHBondContact O-N 3.49Å
67Y72.1Confident77.4Confident70 Ų7063 Ų6328%0.27534%0.339SS..EExtended strand (participates in β ladder)trans-118.6107.3174.2-170.6-104.3000108.9P12 L23 Y65 N69 S70 L72P12-Y67 HydrophobicContact CG-CD1 3.81Å; P12-Y67 HydrophobicContact CG-CE1 4.01Å; L23-Y67 HydrophobicContact CD1-CD2 3.57Å; L23-Y67 HydrophobicContact CD1-CE2 3.71Å; L23-Y67 HydrophobicContact CD1-CG 4.37Å; Y65-Y67 HydrophobicContact CE1-CD2 4.18Å; Y65-Y67 PolarHBondContact O-N 2.77Å; Y67-N69 PolarHBondContact O-N 2.9Å; Y67-S70 PolarHBondContact N-O 3.31Å; Y67-S70 PolarHBondContact O-N 3.12Å; Y67-S70 VanDerWaalsContact O-N 3.12Å; Y67-S70 VanDerWaalsContact O-O 3.07Å; Y67-L72 HydrophobicContact CG-CD1 4.48Å
68G71.5Confident76.7Confident68 Ų6869 Ų6970%0.70135%0.354SS*.THydrogen-bonded Turntrans58.9-123.9-168.400000111.1
69N73Confident75.3Confident173 Ų17374.6 Ų74.693%0.92539%0.393SS*.THydrogen-bonded Turntrans-94.76.7-179.5-59.35.1000112.8Y67Y67-N69 PolarHBondContact O-N 2.9Å
70S70Confident73.7Confident27 Ų2779.8 Ų79.819%0.18943%0.43CS..EExtended strand (participates in β ladder)trans-121.6139-172.8-64.50000111.5N10 Y67N10-S70 WeakPolarHBondContact O-CB 3.3Å; Y67-S70 PolarHBondContact N-O 3.31Å; Y67-S70 PolarHBondContact O-N 3.12Å; Y67-S70 VanDerWaalsContact O-N 3.12Å; Y67-S70 VanDerWaalsContact O-O 3.07Å
71K80.6Confident72.2Confident93 Ų9375.3 Ų75.340%0.40443%0.428SS..EExtended strand (participates in β ladder)trans-91.7113.7172.3-63.6-172.6-175.7-171.10110N10 R73 D137N10-K71 VanDerWaalsContact CB-O 3.31Å; N10-K71 WeakPolarHBondContact CB-O 3.37Å; N10-K71 PolarHBondContact ND2-N 2.79Å; N10-K71 PolarHBondContact ND2-O 2.85Å; K71-R73 PolarHBondContact O-N 3.23Å; K71-D137 IonicContact NZ-OD1 3.94Å; K71-D137 PolarHBondContact NZ-OD1 2.93Å; K71-D137 IonicContact NZ-OD2 3.27Å; K71-D137 PolarHBondContact NZ-OD2 3.48Å
72L85Confident70.7Confident3 Ų377.9 Ų77.92%0.01645%0.446CS..  trans-63.7136179.9-56.9-174.7000110.4L11 L23 G64 Y65 Y67L11-L72 HydrophobicContact CD2-CD2 3.51Å; L11-L72 HydrophobicContact CG-CD2 4.34Å; L23-L72 HydrophobicContact CD1-CD1 4.46Å; L23-L72 HydrophobicContact CD2-CD1 3.32Å; G64-L72 WeakPolarHBondContact CA-O 3.28Å; G64-L72 PolarHBondContact N-O 2.67Å; Y65-L72 HydrophobicContact CD1-CD1 4.08Å; Y65-L72 WeakPolarHBondContact O-CG 3.22Å; Y65-L72 PolarHBondContact O-N 2.73Å; Y67-L72 HydrophobicContact CG-CD1 4.48Å
73R82.1Confident69.9Low118 Ų11886.9 Ų86.945%0.44549%0.485SS..EExtended strand (participates in β ladder)trans-108.1109.8174.4179.9176.7178.9-165.3-6.5108.6V8 G9 K71 E75V8-R73 CarbonylContact C-O 3.52Å; V8-R73 VanDerWaalsContact CA-O 3.31Å; V8-R73 WeakPolarHBondContact CA-O 3.1Å; G9-R73 PolarHBondContact N-O 3.41Å; G9-R73 PolarHBondContact O-N 3.11Å; K71-R73 PolarHBondContact O-N 3.23Å; R73-E75 HydrophobicContact CG-CG 4.17Å; R73-E75 IonicContact CZ-OE1 3.72Å; R73-E75 VanDerWaalsContact CZ-OE1 3.3Å; R73-E75 IonicContact CZ-OE2 3.48Å; R73-E75 IonicContact NE-OE1 3.51Å; R73-E75 PolarHBondContact NE-OE1 2.91Å; R73-E75 IonicContact NE-OE2 3.49Å; R73-E75 PolarHBondContact NE-OE2 3.41Å; R73-E75 IonicContact NH2-OE1 3.44Å; R73-E75 PolarHBondContact NH2-OE1 3.21Å; R73-E75 IonicContact NH2-OE2 2.73Å; R73-E75 PolarHBondContact NH2-OE2 3.37Å
74V86.6Confident68Low0 Ų091 Ų910%051%0.513CS..EExtended strand (participates in β ladder)trans-110.7119.2-178.9-168.60000109.1I6 Y7 V8 F24 V59 R62 N63I6-V74 HydrophobicContact CB-CG1 4.34Å; I6-V74 HydrophobicContact CD1-CG1 3.69Å; Y7-V74 CarbonylContact O-C 3.59Å; Y7-V74 VanDerWaalsContact O-CA 3.27Å; Y7-V74 WeakPolarHBondContact O-CA 3.2Å; V8-V74 HydrophobicContact CG1-CG2 4.29Å; V8-V74 HydrophobicContact CG2-CG1 4.35Å; V8-V74 HydrophobicContact CG2-CG2 4.39Å; F24-V74 HydrophobicContact CE1-CG1 4.17Å; F24-V74 HydrophobicContact CE1-CG2 4.09Å; F24-V74 HydrophobicContact CZ-CG1 4.47Å; F24-V74 HydrophobicContact CZ-CG2 3.78Å; V59-V74 HydrophobicContact CB-CG1 4.38Å; V59-V74 HydrophobicContact CG2-CG1 3.89Å; R62-V74 HydrophobicContact CB-CG2 4.11Å; N63-V74 HydrophobicContact CB-CB 4.08Å; N63-V74 WeakPolarHBondContact CB-O 3.49Å; N63-V74 PolarHBondContact OD1-N 2.84Å; N63-V74 PolarHBondContact OD1-O 3.21Å
75E83Confident66.4Low44 Ų4493.4 Ų93.421%0.20654%0.537CS..EExtended strand (participates in β ladder)trans-143.7163.1-176.1-67.9-175.2168.100110.9I6 Y7 R73I6-E75 CarbonylContact C-O 3.58Å; Y7-E75 WeakPolarHBondContact CA-O 3.36Å; Y7-E75 WeakPolarHBondContact CB-O 3.35Å; Y7-E75 PolarHBondContact N-O 3.43Å; Y7-E75 PolarHBondContact O-N 3.04Å; R73-E75 HydrophobicContact CG-CG 4.17Å; R73-E75 IonicContact CZ-OE1 3.72Å; R73-E75 VanDerWaalsContact CZ-OE1 3.3Å; R73-E75 IonicContact CZ-OE2 3.48Å; R73-E75 IonicContact NE-OE1 3.51Å; R73-E75 PolarHBondContact NE-OE1 2.91Å; R73-E75 IonicContact NE-OE2 3.49Å; R73-E75 PolarHBondContact NE-OE2 3.41Å; R73-E75 IonicContact NH2-OE1 3.44Å; R73-E75 PolarHBondContact NH2-OE1 3.21Å; R73-E75 IonicContact NH2-OE2 2.73Å; R73-E75 PolarHBondContact NH2-OE2 3.37Å
76Y83.9Confident65.2Low93 Ų9395 Ų9537%0.36556%0.559SS.*  trans-67.9135165.8-68-76.8000110.1E56 V59 R78E56-Y76 WeakPolarHBondContact CA-OH 3.33Å; E56-Y76 WeakPolarHBondContact CG-OH 3.27Å; E56-Y76 PolarHBondContact N-OH 3.27Å; V59-Y76 HydrophobicContact CB-CE2 4.43Å; V59-Y76 HydrophobicContact CG1-CE2 4.25Å; V59-Y76 HydrophobicContact CG2-CE1 4.43Å; V59-Y76 HydrophobicContact CG2-CE2 4.1Å; Y76-R78 PolarHBondContact O-N 3.41Å
77P75.4Confident63.8Low26 Ų26101.3 Ų101.317%0.16958%0.58CS.*  trans-55.5128.5168.7-11.522.9000107.1R5 F46 S79R5-P77 HydrophobicContact CB-CG 3.97Å; R5-P77 HydrophobicContact CG-CG 3.74Å; R5-P77 WeakPolarHBondContact O-CD 3.31Å; F46-P77 HydrophobicContact CD1-CB 4.2Å; F46-P77 HydrophobicContact CD1-CG 4.06Å; F46-P77 HydrophobicContact CE1-CB 3.98Å; F46-P77 HydrophobicContact CE1-CG 4.34Å; P77-S79 PolarHBondContact O-N 3.42Å
78R64.6Low62.1Low225 Ų225101.7 Ų101.785%0.84961%0.605SS**  trans-60.9105.9168.7-73.2-174.2179175.7-1106.8Y76 S80Y76-R78 PolarHBondContact O-N 3.41Å; R78-S80 PolarHBondContact O-N 3Å
79S50.8Low60.5Low116 Ų116101.5 Ų101.581%0.81160%0.603SS**  trans-58.3112.7-176.3-43.10000109.1P77 A81P77-S79 PolarHBondContact O-N 3.42Å; S79-A81 PolarHBondContact O-N 2.94Å
80S48.1Very low58.6Low125 Ų125103.9 Ų103.987%0.87461%0.606SS**  trans-73.5104.7166.2-65.40000108.2R78R78-S80 PolarHBondContact O-N 3Å
81A45.1Very low57Low96 Ų96106.2 Ų106.279%0.79363%0.634SS**  trans90.5118.2158.500000120.4S79S79-A81 PolarHBondContact O-N 2.94Å
82A42.4Very low54.8Low95 Ų95105.6 Ų105.679%0.78565%0.654SS**  16795.3122.100000109.2
83K55.6Low52.4Low205 Ų205109.6 Ų109.689%0.89170%0.696SS**  10.697.695.7-76.3-173.4177.3179.60113
84T40.6Very low50.2Low149 Ų149107.1 Ų107.191%0.91471%0.708SS**  trans169.4116.1132.6-62.30000109.7
85G35.7Very low47.7Very low72 Ų72114.2 Ų114.274%0.74275%0.751SS**  trans151.7113.7169.300000114.5
86P51.1Low45.5Very low129 Ų129116.2 Ų116.284%0.83878%0.783SS**  trans-97.3161.9-16336.9-34.8000116
87M41.5Very low43Very low200 Ų200115.5 Ų115.599%0.98580%0.804SS**  trans81.2121.9170.1-136.6-170.6-156.600114
88G36.7Very low40.9Very low78 Ų78117.9 Ų117.980%0.80483%0.833SS**  cis164.5149.38.800000104.4
89G37.9Very low40Very low64 Ų64115.9 Ų115.966%0.6683%0.833SS**  cis-173.9177.92.900000106.7
90F34.8Very low39.2Very low223 Ų223122.4 Ų122.498%0.97884%0.84SS**  trans75.9103170.6-63.2-85.8000117.9
91G34.9Very low38.6Very low77 Ų77119.7 Ų119.779%0.79483%0.832SS**  trans16834.1162.700000119.3
92G35Very low38.5Very low79 Ų79125.4 Ų125.481%0.81483%0.833SS**  trans67.4117.5153.600000118.6
93G34.8Very low38.2Very low88 Ų88130.8 Ų130.891%0.90784%0.839SS**  trans-60.7171.7-178.200000115.8
94G34.8Very low37.5Very low66 Ų66123.8 Ų123.868%0.6883%0.825SS**  cis166.6154.19.400000109
95V35.3Very low37.7Very low149 Ų149120.7 Ų120.790%0.90381%0.808SS**  trans61.690.9154.7-77.20000120.5
96G37.3Very low38Very low85 Ų85121.9 Ų121.988%0.87680%0.803SS**  52113104.400000119.4
97G30.8Very low37.9Very low79 Ų79122 Ų12281%0.81480%0.801SS**  trans-166.898.3162.400000113.5
98G30.4Very low38.2Very low75 Ų75120.2 Ų120.277%0.77378%0.783SS**  trans63.8117.5141.300000120.5R100G98-R100 PolarHBondContact O-N 3.21Å
99Q47.5Very low39Very low184 Ų184125.8 Ų125.886%0.8678%0.78SS**  trans-31125150.1-104.193.7-22.800113.4
100R33.6Very low39.9Very low252 Ų252123.7 Ų123.795%0.95176%0.755SS**  trans-173.9119.6134.3-100.1162.6-170-159.53.5111.5G98G98-R100 PolarHBondContact O-N 3.21Å
101G34.3Very low41.5Very low69 Ų69120.3 Ų120.371%0.71174%0.742SS**  trans92.290.8168.300000113.4
102R43.3Very low43.8Very low216 Ų216118.5 Ų118.582%0.81571%0.713SS**SBend54.490.463.7-153.1-178.2-124-115.14.8110
103F37.5Very low46.2Very low207 Ų207116.5 Ų116.591%0.90868%0.681SS**  trans97.363.1-173.4-61.2-83.6000115.7
104G40.8Very low48.8Very low58 Ų58112.3 Ų112.360%0.59864%0.638SS**  trans-114.6139.9156.800000108.7
105P45Very low51.5Low85 Ų85111.6 Ų111.655%0.55262%0.618SS**  trans-57.8144-177.322.1-30.3000110.7T107 F140P105-T107 PolarHBondContact O-N 3.31Å; P105-F140 HydrophobicContact CB-CD2 3.88Å; P105-F140 HydrophobicContact CB-CE2 4.26Å; P105-F140 HydrophobicContact CG-CD2 4.33Å; P105-F140 HydrophobicContact CG-CE2 4.21Å
106P41.7Very low54.1Low97 Ų97104.5 Ų104.563%0.6358%0.575SS**  trans-57.4132.1-173.9-18.429.4000111R108P106-R108 PolarHBondContact O-N 3.42Å
107T47.7Very low56.7Low131 Ų131101.8 Ų101.880%0.80454%0.541SS*.SBendtrans-72.820-178.252.20000114.4P105P105-T107 PolarHBondContact O-N 3.31Å
108R48.9Very low59.4Low163 Ų16399.7 Ų99.762%0.61552%0.519SS*.  trans-102.388.1164.2-69-166.2-172.6-135.95.5106.6P106 S110P106-R108 PolarHBondContact O-N 3.42Å; R108-S110 VanDerWaalsContact C-N 3.32Å; R108-S110 PolarHBondContact O-N 3.14Å
109R52.3Low62.2Low194 Ų19496.7 Ų96.773%0.73249%0.485SS*.  trans-61.299.4166.7-61-169.570.4-173.9-0.5106.3E152R109-E152 WeakPolarHBondContact CA-OE1 3.02Å
110S56.5Low64.1Low21 Ų2188.5 Ų88.515%0.14745%0.448CS..  trans-63.1134.9162.7176.80000107R108 F112 E152 F153R108-S110 VanDerWaalsContact C-N 3.32Å; R108-S110 PolarHBondContact O-N 3.14Å; S110-F112 PolarHBondContact O-N 3.3Å; S110-F112 WeakPolarHBondContact OG-CD2 3.48Å; S110-F112 PolarHBondContact OG-N 3.03Å; S110-E152 WeakPolarHBondContact CB-OE1 3.45Å; S110-E152 PolarHBondContact N-OE1 2.86Å; S110-E152 WeakPolarHBondContact O-CG 3.25Å; S110-F153 WeakPolarHBondContact CB-O 3.2Å; S110-F153 PolarHBondContact OG-O 2.79Å
111E69.4Low66.5Low151 Ų15181.2 Ų81.271%0.70644%0.442SS*.SBendtrans-72.8-6176.960.3-172.867.300112.5R113 R156E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 3.24Å; E111-R156 IonicContact OE2-NH2 3.88Å
112F82.8Confident69Low39 Ų3979.2 Ų79.217%0.17142%0.416CS..  trans-84.670.5-177.2-46.3-48.6000111.4S110 F153 R155 R156 M159S110-F112 PolarHBondContact O-N 3.3Å; S110-F112 WeakPolarHBondContact OG-CD2 3.48Å; S110-F112 PolarHBondContact OG-N 3.03Å; F112-F153 HydrophobicContact CB-CB 4.42Å; F112-F153 PolarHBondContact O-N 3.08Å; F112-R155 VanDerWaalsContact CD2-C 3.44Å; F112-R156 HydrophobicContact CD1-CB 3.83Å; F112-R156 HydrophobicContact CD1-CG 4.15Å; F112-R156 HydrophobicContact CD2-CB 4.34Å; F112-R156 HydrophobicContact CE1-CB 3.71Å; F112-R156 HydrophobicContact CE1-CG 4.15Å; F112-R156 HydrophobicContact CE2-CB 4.23Å; F112-R156 HydrophobicContact CG-CB 4.18Å; F112-R156 HydrophobicContact CZ-CB 3.92Å; F112-M159 VanDerWaalsContact CA-SD 3.57Å; F112-M159 HydrophobicContact CB-CB 4.08Å; F112-M159 HydrophobicContact CB-CG 4.36Å; F112-M159 HydrophobicContact CB-SD 3.79Å
113R84.9Confident70.9Confident38 Ų3869.4 Ų69.414%0.14338%0.382CS..EExtended strand (participates in β ladder)trans-107.4135-176.3-177.8161.6165.4-131.25112E111 V150 V151 E152 E186E111-R113 VanDerWaalsContact C-N 3.31Å; E111-R113 PolarHBondContact O-N 3.24Å; R113-V150 HydrophobicContact CG-CG1 4.04Å; R113-V151 CarbonylContact C-O 3.51Å; R113-V151 WeakPolarHBondContact CA-O 3.31Å; R113-E152 HydrophobicContact CB-CG 4.45Å; R113-E186 HydrophobicContact CB-CB 4.36Å; R113-E186 WeakPolarHBondContact CD-OE2 3.42Å; R113-E186 HydrophobicContact CG-CB 4.36Å; R113-E186 WeakPolarHBondContact CG-OE2 3.36Å; R113-E186 IonicContact CZ-OE1 3.47Å; R113-E186 IonicContact CZ-OE2 3.34Å; R113-E186 IonicContact NE-OE2 3.39Å; R113-E186 PolarHBondContact NE-OE2 3.13Å; R113-E186 IonicContact NH1-OE1 2.71Å; R113-E186 PolarHBondContact NH1-OE1 2.82Å; R113-E186 IonicContact NH1-OE2 2.75Å; R113-E186 PolarHBondContact NH1-OE2 2.76Å; R113-E186 WeakPolarHBondContact O-CB 3.26Å; R113-E186 PolarHBondContact O-N 3.36Å
114V89.9Confident73.3Confident0 Ų060.9 Ų60.90%035%0.348CS..EExtended strand (participates in β ladder)trans-117.8149173.5-56.10000110.9V116 M132 V150 V151 F153 M159 L163 V183 Y184V114-V116 HydrophobicContact CG2-CG2 4.28Å; V114-M132 HydrophobicContact CG2-CE 3.66Å; V114-V150 WeakPolarHBondContact O-CA 3.31Å; V114-V151 HydrophobicContact CG2-CB 3.74Å; V114-V151 HydrophobicContact CG2-CG1 4.49Å; V114-V151 PolarHBondContact N-O 3.25Å; V114-V151 PolarHBondContact O-N 3.22Å; V114-F153 HydrophobicContact CG1-CD2 4.5Å; V114-F153 HydrophobicContact CG1-CE2 4.25Å; V114-F153 HydrophobicContact CG2-CD2 4.45Å; V114-F153 HydrophobicContact CG2-CE2 3.77Å; V114-M159 HydrophobicContact CG1-CG 3.49Å; V114-M159 VanDerWaalsContact CG1-CG 3.49Å; V114-M159 HydrophobicContact CG1-SD 4.31Å; V114-L163 HydrophobicContact CG1-CD2 4.09Å; V114-L163 HydrophobicContact CG1-CG 4.2Å; V114-V183 HydrophobicContact CB-CG1 3.77Å; V114-V183 HydrophobicContact CG1-CG1 4.17Å; V114-V183 HydrophobicContact CG2-CG1 3.8Å; V114-Y184 CarbonylContact C-O 3.51Å; V114-Y184 WeakPolarHBondContact CA-O 3.41Å; V114-Y184 WeakPolarHBondContact CB-O 3.47Å
115I90.9Very high75.5Confident51 Ų5164.5 Ų64.526%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-101129.4170.6-58176.4000107.2T117 V183 Y184 E186I115-T117 HydrophobicContact CG2-CG2 3.98Å; I115-V183 WeakPolarHBondContact O-CA 3.45Å; I115-Y184 PolarHBondContact N-O 3.21Å; I115-Y184 PolarHBondContact O-N 3.49Å; I115-E186 HydrophobicContact CD1-CG 4.48Å; I115-E186 HydrophobicContact CG1-CB 4.47Å
116V90.8Very high77.4Confident0 Ų065.6 Ų65.60%034%0.342CS..EExtended strand (participates in β ladder)trans-111.4122.5178.2-175.90000108.2V114 L119 L128 M132 E148 G149 V151 I181 R182 V183V114-V116 HydrophobicContact CG2-CG2 4.28Å; V116-L119 HydrophobicContact CG1-CD1 4.5Å; V116-L119 HydrophobicContact CG1-CD2 4.15Å; V116-L119 HydrophobicContact CG1-CG 4.27Å; V116-L128 HydrophobicContact CB-CD1 4.13Å; V116-L128 HydrophobicContact CG1-CD1 3.89Å; V116-L128 HydrophobicContact CG2-CD1 4.09Å; V116-M132 HydrophobicContact CG2-CE 3.77Å; V116-M132 HydrophobicContact CG2-SD 4.32Å; V116-E148 CarbonylContact O-C 3.46Å; V116-E148 WeakPolarHBondContact O-CA 3.29Å; V116-G149 PolarHBondContact N-O 3.15Å; V116-G149 PolarHBondContact O-N 2.71Å; V116-V151 HydrophobicContact CG2-CG2 4.01Å; V116-I181 HydrophobicContact CG1-CB 3.87Å; V116-I181 HydrophobicContact CG1-CD1 3.96Å; V116-I181 HydrophobicContact CG1-CG2 4.09Å; V116-R182 CarbonylContact C-O 3.49Å; V116-R182 VanDerWaalsContact CA-O 3.25Å; V116-R182 WeakPolarHBondContact CA-O 3.46Å; V116-V183 HydrophobicContact CG2-CG1 4.4Å; V116-V183 HydrophobicContact CG2-CG2 4.3Å
117T91.9Very high79.7Confident28 Ų2862.2 Ų62.217%0.17232%0.318CS..EExtended strand (participates in β ladder)trans-120163.117870.60000111.1I115 E148 I181 R182 Y184I115-T117 HydrophobicContact CG2-CG2 3.98Å; T117-E148 HydrophobicContact CG2-CG 3.98Å; T117-I181 CarbonylContact O-C 3.58Å; T117-I181 VanDerWaalsContact O-CA 3.27Å; T117-I181 WeakPolarHBondContact O-CA 3.45Å; T117-R182 PolarHBondContact N-O 3.04Å; T117-R182 PolarHBondContact O-N 2.68Å; T117-Y184 HydrophobicContact CG2-CD2 4.5Å; T117-Y184 HydrophobicContact CG2-CE2 4.39Å
118G87.8Confident81.7Confident34 Ų3456 Ų5635%0.35128%0.28SS..  trans82.520.7-178.800000113.7G147 S179G118-G147 PolarHBondContact N-O 3.42Å; G118-S179 VanDerWaalsContact O-CB 3.3Å; G118-S179 WeakPolarHBondContact O-CB 3.43Å; G118-S179 PolarHBondContact O-OG 2.63Å
119L88.7Confident83.5Confident12 Ų1252 Ų526%0.06327%0.267CS..  trans-67.7141.9174.4-65.7166.2000110.5V116 L128 V143 G147 F171 I181V116-L119 HydrophobicContact CG1-CD1 4.5Å; V116-L119 HydrophobicContact CG1-CD2 4.15Å; V116-L119 HydrophobicContact CG1-CG 4.27Å; L119-L128 HydrophobicContact CD1-CD2 4.1Å; L119-L128 HydrophobicContact CD2-CD1 4.03Å; L119-V143 HydrophobicContact CD1-CB 4.41Å; L119-V143 HydrophobicContact CD1-CG1 3.82Å; L119-V143 HydrophobicContact CD1-CG2 3.76Å; L119-G147 WeakPolarHBondContact CB-O 3.42Å; L119-G147 PolarHBondContact N-O 3.03Å; L119-F171 HydrophobicContact CD2-CD1 3.98Å; L119-F171 HydrophobicContact CD2-CD2 4.12Å; L119-F171 HydrophobicContact CD2-CE1 3.91Å; L119-F171 HydrophobicContact CD2-CE2 4.11Å; L119-F171 HydrophobicContact CD2-CG 4.02Å; L119-F171 HydrophobicContact CD2-CZ 3.94Å; L119-I181 HydrophobicContact CD2-CG2 3.56Å; L119-I181 HydrophobicContact CG-CG2 4.24Å
120P87.5Confident85.2Confident12 Ų1245.5 Ų45.58%0.07825%0.247CC..  trans-62.3151.1173.527.8-32.3000109.8T122 G123 F171 E177P120-T122 PolarHBondContact O-N 2.9Å; P120-T122 VanDerWaalsContact O-N 3.13Å; P120-G123 WeakPolarHBondContact O-CA 3.39Å; P120-G123 PolarHBondContact O-N 2.85Å; P120-F171 HydrophobicContact CG-CD1 3.56Å; P120-F171 HydrophobicContact CG-CE1 3.69Å; P120-E177 HydrophobicContact CB-CB 3.96Å
121A83.8Confident86.8Confident100 Ų10046.1 Ų46.183%0.82625%0.248SC*.THydrogen-bonded Turntrans-62-25.6-176.500000113.1
122T86.4Confident87.7Confident26 Ų2639 Ų3916%0.1621%0.214CC..THydrogen-bonded Turntrans-88-7.2173.460.70000113.9P120 S124 S173 H174 Q175 E177P120-T122 PolarHBondContact O-N 2.9Å; P120-T122 VanDerWaalsContact O-N 3.13Å; T122-S124 PolarHBondContact O-N 3.27Å; T122-S173 WeakPolarHBondContact CB-OG 3.43Å; T122-S173 PolarHBondContact O-OG 3.21Å; T122-S173 VanDerWaalsContact OG1-CB 3.29Å; T122-S173 WeakPolarHBondContact OG1-CB 3.19Å; T122-S173 PolarHBondContact OG1-OG 3.15Å; T122-H174 PolarHBondContact O-CE1 2.77Å; T122-Q175 HydrophobicContact CG2-CB 4.25Å; T122-Q175 HydrophobicContact CG2-CG 4.3Å; T122-E177 WeakPolarHBondContact CB-OE2 3.11Å; T122-E177 VanDerWaalsContact CG2-CD 3.43Å; T122-E177 HydrophobicContact CG2-CG 4.39Å; T122-E177 WeakPolarHBondContact CG2-OE1 3.39Å; T122-E177 VanDerWaalsContact CG2-OE2 3.26Å; T122-E177 WeakPolarHBondContact CG2-OE2 3.18Å; T122-E177 PolarHBondContact N-OE2 2.92Å; T122-E177 PolarHBondContact OG1-OE2 2.69Å
123G82.9Confident87.9Confident11 Ų1144.4 Ų44.411%0.11323%0.234CC..  trans-61.3127.5-178.900000111.4P120P120-G123 WeakPolarHBondContact O-CA 3.39Å; P120-G123 PolarHBondContact O-N 2.85Å
124S87.7Confident88Confident28 Ų2848.4 Ų48.420%0.19625%0.254CS..  trans-100.7160.8178.773.80000111.7T122 Q126 D127 L128T122-S124 PolarHBondContact O-N 3.27Å; S124-Q126 PolarHBondContact O-N 2.87Å; S124-Q126 PolarHBondContact OG-N 2.75Å; S124-D127 WeakPolarHBondContact CB-OD2 3.01Å; S124-D127 PolarHBondContact N-OD2 3.2Å; S124-D127 VanDerWaalsContact N-OD2 3.15Å; S124-D127 PolarHBondContact O-N 3.35Å; S124-D127 PolarHBondContact OG-N 2.75Å; S124-D127 PolarHBondContact OG-OD2 3.41Å; S124-L128 PolarHBondContact O-N 3.07Å
125W87.7Confident87.8Confident134 Ų13448.9 Ų48.951%0.50826%0.257SS..Hα-helixtrans-59.2-26.817269.1-96.5000112.7K129 V143W125-K129 HydrophobicContact CZ3-CD 4.3Å; W125-K129 VanDerWaalsContact O-CB 3.25Å; W125-K129 WeakPolarHBondContact O-CB 3.39Å; W125-K129 PolarHBondContact O-N 3.23Å; W125-V143 HydrophobicContact CB-CB 4.33Å; W125-V143 HydrophobicContact CB-CG2 4.1Å
126Q85.6Confident87.5Confident108 Ų10847.3 Ų47.351%0.50525%0.254SS..Hα-helixtrans-70.9-49176.6-179.3176.5-3.500110.4S124 L128 K129 D130S124-Q126 PolarHBondContact O-N 2.87Å; S124-Q126 PolarHBondContact OG-N 2.75Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 3.44Å; Q126-K129 WeakPolarHBondContact O-CB 3.42Å; Q126-K129 PolarHBondContact O-N 3.41Å; Q126-D130 VanDerWaalsContact O-CB 3.32Å; Q126-D130 WeakPolarHBondContact O-CB 3.31Å; Q126-D130 VanDerWaalsContact O-CG 3.26Å; Q126-D130 PolarHBondContact O-N 3.41Å
127D89.4Confident87.1Confident25 Ų2550.1 Ų50.113%0.13427%0.269CS..Hα-helixtrans-58.2-43.6175.1-57.8-43.5000110S124 D130 H131 F171 H174S124-D127 WeakPolarHBondContact CB-OD2 3.01Å; S124-D127 PolarHBondContact N-OD2 3.2Å; S124-D127 VanDerWaalsContact N-OD2 3.15Å; S124-D127 PolarHBondContact O-N 3.35Å; S124-D127 PolarHBondContact OG-N 2.75Å; S124-D127 PolarHBondContact OG-OD2 3.41Å; D127-D130 PolarHBondContact O-N 3.5Å; D127-H131 WeakPolarHBondContact O-CB 3.27Å; D127-H131 PolarHBondContact O-N 3.01Å; D127-F171 VanDerWaalsContact C-CE2 3.48Å; D127-F171 HydrophobicContact CB-CE1 4.21Å; D127-F171 HydrophobicContact CB-CE2 4.12Å; D127-F171 HydrophobicContact CB-CZ 3.43Å; D127-F171 VanDerWaalsContact CB-CZ 3.43Å; D127-F171 WeakPolarHBondContact O-CE2 3.32Å; D127-H174 PolarHBondContact OD1-N 3.47Å; D127-H174 IonicContact OD2-CE1 3.96Å; D127-H174 IonicContact OD2-CG 3.72Å; D127-H174 PolarHBondContact OD2-N 3.28Å; D127-H174 IonicContact OD2-ND1 2.91Å; D127-H174 PolarHBondContact OD2-ND1 3.26Å
128L89.3Confident86.8Confident0 Ų049.6 Ų49.60%027%0.266CS..Hα-helixtrans-59.2-48.5175.3178.959.1000112.1V116 L119 S124 Q126 D130 H131 M132 V143 V151 F171V116-L128 HydrophobicContact CB-CD1 4.13Å; V116-L128 HydrophobicContact CG1-CD1 3.89Å; V116-L128 HydrophobicContact CG2-CD1 4.09Å; L119-L128 HydrophobicContact CD1-CD2 4.1Å; L119-L128 HydrophobicContact CD2-CD1 4.03Å; S124-L128 PolarHBondContact O-N 3.07Å; Q126-L128 VanDerWaalsContact C-N 3.27Å; Q126-L128 PolarHBondContact O-N 3.44Å; L128-D130 VanDerWaalsContact C-N 3.28Å; L128-D130 PolarHBondContact O-N 2.7Å; L128-H131 PolarHBondContact O-N 2.93Å; L128-M132 HydrophobicContact CD1-CG 3.73Å; L128-M132 HydrophobicContact CG-CG 4.36Å; L128-M132 VanDerWaalsContact O-CB 3.29Å; L128-M132 WeakPolarHBondContact O-CB 3.41Å; L128-M132 WeakPolarHBondContact O-CG 3.5Å; L128-M132 PolarHBondContact O-N 3.29Å; L128-V143 HydrophobicContact CB-CG2 3.76Å; L128-V143 HydrophobicContact CD2-CG2 3.39Å; L128-V143 HydrophobicContact CG-CG2 4.21Å; L128-V151 HydrophobicContact CD1-CG2 4.05Å; L128-V151 HydrophobicContact CD2-CG2 3.61Å; L128-V151 HydrophobicContact CG-CG2 3.69Å; L128-F171 HydrophobicContact CB-CE2 4.37Å; L128-F171 HydrophobicContact CB-CZ 4.46Å
129K87.4Confident86.6Confident79 Ų7949.9 Ų49.934%0.34326%0.262SS..Hα-helixtrans-61.1-41.3177.9-175.7173.6-176.3175.40111.6W125 Q126 M132 R133 V138 A141W125-K129 HydrophobicContact CZ3-CD 4.3Å; W125-K129 VanDerWaalsContact O-CB 3.25Å; W125-K129 WeakPolarHBondContact O-CB 3.39Å; W125-K129 PolarHBondContact O-N 3.23Å; Q126-K129 WeakPolarHBondContact O-CB 3.42Å; Q126-K129 PolarHBondContact O-N 3.41Å; K129-M132 PolarHBondContact O-N 3.41Å; K129-R133 PolarHBondContact O-N 2.87Å; K129-V138 HydrophobicContact CG-CB 4.17Å; K129-V138 HydrophobicContact CG-CG1 3.97Å; K129-A141 HydrophobicContact CB-CB 3.92Å; K129-A141 HydrophobicContact CG-CB 4.44Å
130D88.4Confident86.2Confident58 Ų5852.6 Ų52.631%0.3127%0.273SS..Hα-helixtrans-67.7-39.5-178.7-78.5-22.4000112.4Q126 D127 L128 R133Q126-D130 VanDerWaalsContact O-CB 3.32Å; Q126-D130 WeakPolarHBondContact O-CB 3.31Å; Q126-D130 VanDerWaalsContact O-CG 3.26Å; Q126-D130 PolarHBondContact O-N 3.41Å; D127-D130 PolarHBondContact O-N 3.5Å; L128-D130 VanDerWaalsContact C-N 3.28Å; L128-D130 PolarHBondContact O-N 2.7Å; D130-R133 VanDerWaalsContact O-CG 3.29Å; D130-R133 WeakPolarHBondContact O-CG 3.39Å; D130-R133 PolarHBondContact O-NE 2.91Å; D130-R133 IonicContact OD1-CZ 3.76Å; D130-R133 IonicContact OD1-NE 3.3Å; D130-R133 PolarHBondContact OD1-NE 3.22Å; D130-R133 IonicContact OD1-NH2 2.63Å; D130-R133 PolarHBondContact OD1-NH2 2.98Å; D130-R133 IonicContact OD2-NH2 2.71Å; D130-R133 PolarHBondContact OD2-NH2 2.74Å
131H88.8Confident86.1Confident35 Ų3552.6 Ų52.616%0.16228%0.275CS..Hα-helixtrans-65.8-45.2172.5-168.287.3000111.5D127 L128 R133 E134 T169 E170 F171D127-H131 WeakPolarHBondContact O-CB 3.27Å; D127-H131 PolarHBondContact O-N 3.01Å; L128-H131 PolarHBondContact O-N 2.93Å; H131-R133 PolarHBondContact O-N 2.66Å; H131-E134 WeakPolarHBondContact O-CB 3.34Å; H131-E134 PolarHBondContact O-N 2.97Å; H131-T169 PolarHBondContact NE2-OG1 2.71Å; H131-E170 PolarHBondContact CE1-O 3.19Å; H131-E170 VanDerWaalsContact CE1-O 3.28Å; H131-F171 HydrophobicContact CB-CD2 3.76Å; H131-F171 HydrophobicContact CB-CE2 3.79Å; H131-F171 AromaticContact CG-CD2 3.7Å; H131-F171 AromaticContact ND1-CD2 3.91Å
132M88.2Confident86.2Confident0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-76.8-12.2-175-63.6-74.6-75.800113.2V114 V116 L128 K129 E134 A135 V138 V151 F153 A162 L166 I181 V183V114-M132 HydrophobicContact CG2-CE 3.66Å; V116-M132 HydrophobicContact CG2-CE 3.77Å; V116-M132 HydrophobicContact CG2-SD 4.32Å; L128-M132 HydrophobicContact CD1-CG 3.73Å; L128-M132 HydrophobicContact CG-CG 4.36Å; L128-M132 VanDerWaalsContact O-CB 3.29Å; L128-M132 WeakPolarHBondContact O-CB 3.41Å; L128-M132 WeakPolarHBondContact O-CG 3.5Å; L128-M132 PolarHBondContact O-N 3.29Å; K129-M132 PolarHBondContact O-N 3.41Å; M132-E134 PolarHBondContact O-N 3.3Å; M132-A135 PolarHBondContact O-N 2.98Å; M132-A135 VanDerWaalsContact O-N 3.14Å; M132-V138 HydrophobicContact CB-CG2 3.89Å; M132-V151 HydrophobicContact CB-CG1 4.05Å; M132-V151 HydrophobicContact CB-CG2 4.47Å; M132-V151 HydrophobicContact CE-CB 4.05Å; M132-V151 HydrophobicContact CE-CG1 4.15Å; M132-V151 HydrophobicContact CE-CG2 4.1Å; M132-V151 HydrophobicContact CG-CG1 4.42Å; M132-V151 HydrophobicContact CG-CG2 4.04Å; M132-F153 HydrophobicContact CB-CZ 4.38Å; M132-F153 HydrophobicContact CE-CE2 4.03Å; M132-F153 HydrophobicContact CE-CZ 3.79Å; M132-A162 HydrophobicContact CE-CB 4.1Å; M132-L166 HydrophobicContact SD-CB 4.26Å; M132-L166 HydrophobicContact SD-CD1 3.58Å; M132-L166 VanDerWaalsContact SD-CD1 3.58Å; M132-I181 HydrophobicContact SD-CD1 4.5Å; M132-V183 HydrophobicContact CE-CG1 4.05Å; M132-V183 HydrophobicContact CE-CG2 4.33Å; M132-V183 HydrophobicContact SD-CG2 4.39Å
133R87.6Confident86.2Confident154 Ų15451.6 Ų51.658%0.58126%0.255SS*.THydrogen-bonded Turntrans-61.9-22.9170.3102.5174.979.5100.9-15.4112.7K129 D130 H131 A135 G136K129-R133 PolarHBondContact O-N 2.87Å; D130-R133 VanDerWaalsContact O-CG 3.29Å; D130-R133 WeakPolarHBondContact O-CG 3.39Å; D130-R133 PolarHBondContact O-NE 2.91Å; D130-R133 IonicContact OD1-CZ 3.76Å; D130-R133 IonicContact OD1-NE 3.3Å; D130-R133 PolarHBondContact OD1-NE 3.22Å; D130-R133 IonicContact OD1-NH2 2.63Å; D130-R133 PolarHBondContact OD1-NH2 2.98Å; D130-R133 IonicContact OD2-NH2 2.71Å; D130-R133 PolarHBondContact OD2-NH2 2.74Å; H131-R133 PolarHBondContact O-N 2.66Å; R133-A135 PolarHBondContact O-N 3.4Å; R133-G136 WeakPolarHBondContact CA-O 3.38Å; R133-G136 PolarHBondContact O-N 3.39Å
134E86.3Confident86.2Confident122 Ų12253.6 Ų53.657%0.5726%0.262SS*.THydrogen-bonded Turntrans-61.6-28.3176.2-176.4175169.400111.9H131 M132 L166H131-E134 WeakPolarHBondContact O-CB 3.34Å; H131-E134 PolarHBondContact O-N 2.97Å; M132-E134 PolarHBondContact O-N 3.3Å; E134-L166 HydrophobicContact CB-CD2 4.07Å; E134-L166 HydrophobicContact CG-CD2 4.15Å
135A85.6Confident85.6Confident9 Ų962.9 Ų62.97%0.07429%0.292CS..THydrogen-bonded Turntrans-86.4-24.6176.100000114.5M132 R133 F153 Y161 A162 L166M132-A135 PolarHBondContact O-N 2.98Å; M132-A135 VanDerWaalsContact O-N 3.14Å; R133-A135 PolarHBondContact O-N 3.4Å; A135-F153 HydrophobicContact CB-CE1 4.08Å; A135-F153 HydrophobicContact CB-CZ 4.15Å; A135-Y161 VanDerWaalsContact CA-CD1 3.47Å; A135-Y161 HydrophobicContact CB-CD1 3.66Å; A135-Y161 HydrophobicContact CB-CE1 4.42Å; A135-A162 HydrophobicContact CB-CB 3.53Å; A135-L166 HydrophobicContact CB-CD1 3.48Å; A135-L166 VanDerWaalsContact CB-CD1 3.48Å; A135-L166 HydrophobicContact CB-CG 4.16Å
136G85.9Confident85.3Confident18 Ų1861 Ų6119%0.18629%0.292CS..SBendtrans153-158178.600000113.9R133 V138R133-G136 WeakPolarHBondContact CA-O 3.38Å; R133-G136 PolarHBondContact O-N 3.39Å; G136-V138 PolarHBondContact O-N 2.93Å; G136-V138 VanDerWaalsContact O-N 3.15Å
137D82.9Confident85Confident59 Ų5956.3 Ų56.332%0.31627%0.274SS..  trans-82.3100.1-170.1-80.4-33.1000112.2K71 C139 L154 D158K71-D137 IonicContact NZ-OD1 3.94Å; K71-D137 PolarHBondContact NZ-OD1 2.93Å; K71-D137 IonicContact NZ-OD2 3.27Å; K71-D137 PolarHBondContact NZ-OD2 3.48Å; D137-C139 PolarHBondContact O-N 3.29Å; D137-L154 HydrophobicContact CB-CB 4.39Å; D137-L154 PolarHBondContact O-N 3Å; D137-L154 VanDerWaalsContact O-N 3.08Å; D137-D158 PolarHBondContact N-OD2 2.78Å
138V84.4Confident84.9Confident18 Ų1858.9 Ų58.911%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-77.7114.4176.5179.60000111.2K129 M132 G136 F140 A141 V151 F153K129-V138 HydrophobicContact CG-CB 4.17Å; K129-V138 HydrophobicContact CG-CG1 3.97Å; M132-V138 HydrophobicContact CB-CG2 3.89Å; G136-V138 PolarHBondContact O-N 2.93Å; G136-V138 VanDerWaalsContact O-N 3.15Å; V138-F140 VanDerWaalsContact CG1-O 3.26Å; V138-F140 WeakPolarHBondContact CG1-O 3.3Å; V138-A141 HydrophobicContact CG1-CB 4.14Å; V138-V151 HydrophobicContact CB-CG1 4.35Å; V138-V151 HydrophobicContact CG1-CG1 3.59Å; V138-V151 HydrophobicContact CG2-CG1 3.84Å; V138-F153 HydrophobicContact CG2-CD1 4.09Å; V138-F153 HydrophobicContact CG2-CE1 3.66Å; V138-F153 HydrophobicContact CG2-CZ 4.35Å
139C83.6Confident84.8Confident40 Ų4059 Ų5927%0.2729%0.285SS..EExtended strand (participates in β ladder)trans-88.6-27.2176.958.50000112.9D137 E152D137-C139 PolarHBondContact O-N 3.29Å; C139-E152 PolarHBondContact N-O 3.15Å; C139-E152 VanDerWaalsContact SG-C 3.6Å; C139-E152 PolarHBondContact SG-O 3.3Å
140F80.7Confident84.9Confident68 Ų6855.8 Ų55.830%0.29827%0.272SS..EExtended strand (participates in β ladder)trans-145.3140.2177.5178.7-94.5000110.8P105 V138 D142 V150 V151 E152P105-F140 HydrophobicContact CB-CD2 3.88Å; P105-F140 HydrophobicContact CB-CE2 4.26Å; P105-F140 HydrophobicContact CG-CD2 4.33Å; P105-F140 HydrophobicContact CG-CE2 4.21Å; V138-F140 VanDerWaalsContact CG1-O 3.26Å; V138-F140 WeakPolarHBondContact CG1-O 3.3Å; F140-D142 HydrophobicContact CE1-CB 3.87Å; F140-D142 HydrophobicContact CZ-CB 3.84Å; F140-V150 HydrophobicContact CD1-CG1 4.21Å; F140-V150 HydrophobicContact CE1-CG1 3.99Å; F140-V151 CarbonylContact O-C 3.49Å; F140-V151 WeakPolarHBondContact O-CA 3.26Å; F140-E152 HydrophobicContact CB-CB 3.75Å; F140-E152 HydrophobicContact CD1-CB 4.45Å; F140-E152 PolarHBondContact N-O 2.84Å; F140-E152 PolarHBondContact O-N 2.92Å
141A85.9Confident85Confident13 Ų1353 Ų5311%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-145.6140.1170.600000109K129 V138 V150 V151K129-A141 HydrophobicContact CB-CB 3.92Å; K129-A141 HydrophobicContact CG-CB 4.44Å; V138-A141 HydrophobicContact CG1-CB 4.14Å; A141-V150 CarbonylContact C-O 3.58Å; A141-V150 WeakPolarHBondContact CA-O 3.29Å; A141-V151 HydrophobicContact CB-CG2 4.29Å
142D84.4Confident84.9Confident74 Ų7452 Ų5240%0.39625%0.253SS..EExtended strand (participates in β ladder)trans-142.4149.4174.7-168.524.7000109.9F140 G149 V150F140-D142 HydrophobicContact CE1-CB 3.87Å; F140-D142 HydrophobicContact CZ-CB 3.84Å; D142-G149 CarbonylContact O-C 3.45Å; D142-G149 WeakPolarHBondContact O-CA 3.45Å; D142-V150 PolarHBondContact N-O 3.17Å; D142-V150 PolarHBondContact O-N 3.11Å
143V86.8Confident84.8Confident30 Ų3052 Ų5218%0.18225%0.253CS..EExtended strand (participates in β ladder)trans-132.1123.2179.5175.70000108.9L119 W125 L128L119-V143 HydrophobicContact CD1-CB 4.41Å; L119-V143 HydrophobicContact CD1-CG1 3.82Å; L119-V143 HydrophobicContact CD1-CG2 3.76Å; W125-V143 HydrophobicContact CB-CB 4.33Å; W125-V143 HydrophobicContact CB-CG2 4.1Å; L128-V143 HydrophobicContact CB-CG2 3.76Å; L128-V143 HydrophobicContact CD2-CG2 3.39Å; L128-V143 HydrophobicContact CG-CG2 4.21Å
144Q84.1Confident84.6Confident53 Ų5348.6 Ų48.625%0.24825%0.246CC..  trans-88.4167.7176.4-52.3-16031.100111.5D146 G147 E148 W194Q144-D146 WeakPolarHBondContact CB-OD1 3.49Å; Q144-D146 PolarHBondContact O-N 2.73Å; Q144-D146 PolarHBondContact OE1-OD1 3.49Å; Q144-G147 PolarHBondContact O-N 3.2Å; Q144-E148 WeakPolarHBondContact CA-O 3.29Å; Q144-E148 WeakPolarHBondContact CB-O 3.14Å; Q144-E148 PolarHBondContact N-O 3.14Å; Q144-W194 VanDerWaalsContact OE1-CZ3 3.23Å
145R75.5Confident84.5Confident223 Ų22347.7 Ų47.784%0.84224%0.237SC*.THydrogen-bonded Turntrans-76.9-12.3-173.4-156.3178.5-156.1-99.9-1.8113.3G147R145-G147 VanDerWaalsContact C-N 3.3Å
146D80.4Confident84.3Confident94 Ų9453.3 Ų53.350%0.50326%0.256SS..THydrogen-bonded Turntrans-87.42.6-179.342.9-60.3000112.8Q144 E148Q144-D146 WeakPolarHBondContact CB-OD1 3.49Å; Q144-D146 PolarHBondContact O-N 2.73Å; Q144-D146 PolarHBondContact OE1-OD1 3.49Å; D146-E148 WeakPolarHBondContact OD2-CB 3.34Å; D146-E148 WeakPolarHBondContact OD2-CG 3.45Å
147G78.4Confident84.3Confident11 Ų1158.7 Ų58.711%0.11328%0.277CS..SBendtrans79.211.6-17900000113G118 L119 Q144 R145G118-G147 PolarHBondContact N-O 3.42Å; L119-G147 WeakPolarHBondContact CB-O 3.42Å; L119-G147 PolarHBondContact N-O 3.03Å; Q144-G147 PolarHBondContact O-N 3.2Å; R145-G147 VanDerWaalsContact C-N 3.3Å
148E87.8Confident84.7Confident79 Ų7957.2 Ų57.237%0.36927%0.269SS..EExtended strand (participates in β ladder)trans-97.3140.4167-58.3-165158.900110V116 T117 Q144 D146V116-E148 CarbonylContact O-C 3.46Å; V116-E148 WeakPolarHBondContact O-CA 3.29Å; T117-E148 HydrophobicContact CG2-CG 3.98Å; Q144-E148 WeakPolarHBondContact CA-O 3.29Å; Q144-E148 WeakPolarHBondContact CB-O 3.14Å; Q144-E148 PolarHBondContact N-O 3.14Å; D146-E148 WeakPolarHBondContact OD2-CB 3.34Å; D146-E148 WeakPolarHBondContact OD2-CG 3.45Å
149G88.3Confident84.8Confident1 Ų156.8 Ų56.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-133.8164.5176.500000110V116 D142V116-G149 PolarHBondContact N-O 3.15Å; V116-G149 PolarHBondContact O-N 2.71Å; D142-G149 CarbonylContact O-C 3.45Å; D142-G149 WeakPolarHBondContact O-CA 3.45Å
150V89.8Confident85Confident12 Ų1258.4 Ų58.47%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-130.5136.6-177.7159.30000106.9R113 V114 F140 A141 D142R113-V150 HydrophobicContact CG-CG1 4.04Å; V114-V150 WeakPolarHBondContact O-CA 3.31Å; F140-V150 HydrophobicContact CD1-CG1 4.21Å; F140-V150 HydrophobicContact CE1-CG1 3.99Å; A141-V150 CarbonylContact C-O 3.58Å; A141-V150 WeakPolarHBondContact CA-O 3.29Å; D142-V150 PolarHBondContact N-O 3.17Å; D142-V150 PolarHBondContact O-N 3.11Å
151V90.6Very high85.5Confident0 Ų059.5 Ų59.50%027%0.272CS..EExtended strand (participates in β ladder)trans-134.4134.8175.9-177.20000109.5R113 V114 V116 L128 M132 V138 F140 A141 F153R113-V151 CarbonylContact C-O 3.51Å; R113-V151 WeakPolarHBondContact CA-O 3.31Å; V114-V151 HydrophobicContact CG2-CB 3.74Å; V114-V151 HydrophobicContact CG2-CG1 4.49Å; V114-V151 PolarHBondContact N-O 3.25Å; V114-V151 PolarHBondContact O-N 3.22Å; V116-V151 HydrophobicContact CG2-CG2 4.01Å; L128-V151 HydrophobicContact CD1-CG2 4.05Å; L128-V151 HydrophobicContact CD2-CG2 3.61Å; L128-V151 HydrophobicContact CG-CG2 3.69Å; M132-V151 HydrophobicContact CB-CG1 4.05Å; M132-V151 HydrophobicContact CB-CG2 4.47Å; M132-V151 HydrophobicContact CE-CB 4.05Å; M132-V151 HydrophobicContact CE-CG1 4.15Å; M132-V151 HydrophobicContact CE-CG2 4.1Å; M132-V151 HydrophobicContact CG-CG1 4.42Å; M132-V151 HydrophobicContact CG-CG2 4.04Å; V138-V151 HydrophobicContact CB-CG1 4.35Å; V138-V151 HydrophobicContact CG1-CG1 3.59Å; V138-V151 HydrophobicContact CG2-CG1 3.84Å; F140-V151 CarbonylContact O-C 3.49Å; F140-V151 WeakPolarHBondContact O-CA 3.26Å; A141-V151 HydrophobicContact CB-CG2 4.29Å; V151-F153 HydrophobicContact CG1-CD2 4.48Å; V151-F153 HydrophobicContact CG1-CE1 4.46Å; V151-F153 HydrophobicContact CG1-CE2 4Å; V151-F153 HydrophobicContact CG1-CZ 3.98Å
152E86.7Confident85.6Confident14 Ų1458.9 Ų58.97%0.06527%0.267CS..EExtended strand (participates in β ladder)trans-115.8129.9176-157.2-177.8108.300108.8R109 S110 R113 C139 F140R109-E152 WeakPolarHBondContact CA-OE1 3.02Å; S110-E152 WeakPolarHBondContact CB-OE1 3.45Å; S110-E152 PolarHBondContact N-OE1 2.86Å; S110-E152 WeakPolarHBondContact O-CG 3.25Å; R113-E152 HydrophobicContact CB-CG 4.45Å; C139-E152 PolarHBondContact N-O 3.15Å; C139-E152 VanDerWaalsContact SG-C 3.6Å; C139-E152 PolarHBondContact SG-O 3.3Å; F140-E152 HydrophobicContact CB-CB 3.75Å; F140-E152 HydrophobicContact CD1-CB 4.45Å; F140-E152 PolarHBondContact N-O 2.84Å; F140-E152 PolarHBondContact O-N 2.92Å
153F86.1Confident85.8Confident0 Ų057.3 Ų57.30%026%0.258CS..EExtended strand (participates in β ladder)trans-101.2149.8177.9-69.2-79.8000111S110 F112 V114 M132 A135 V138 V151 R155 D158 M159 A162S110-F153 WeakPolarHBondContact CB-O 3.2Å; S110-F153 PolarHBondContact OG-O 2.79Å; F112-F153 HydrophobicContact CB-CB 4.42Å; F112-F153 PolarHBondContact O-N 3.08Å; V114-F153 HydrophobicContact CG1-CD2 4.5Å; V114-F153 HydrophobicContact CG1-CE2 4.25Å; V114-F153 HydrophobicContact CG2-CD2 4.45Å; V114-F153 HydrophobicContact CG2-CE2 3.77Å; M132-F153 HydrophobicContact CB-CZ 4.38Å; M132-F153 HydrophobicContact CE-CE2 4.03Å; M132-F153 HydrophobicContact CE-CZ 3.79Å; A135-F153 HydrophobicContact CB-CE1 4.08Å; A135-F153 HydrophobicContact CB-CZ 4.15Å; V138-F153 HydrophobicContact CG2-CD1 4.09Å; V138-F153 HydrophobicContact CG2-CE1 3.66Å; V138-F153 HydrophobicContact CG2-CZ 4.35Å; V151-F153 HydrophobicContact CG1-CD2 4.48Å; V151-F153 HydrophobicContact CG1-CE1 4.46Å; V151-F153 HydrophobicContact CG1-CE2 4Å; V151-F153 HydrophobicContact CG1-CZ 3.98Å; F153-R155 VanDerWaalsContact C-N 3.31Å; F153-D158 HydrophobicContact CB-CB 4.18Å; F153-D158 HydrophobicContact CD1-CB 3.75Å; F153-D158 HydrophobicContact CE1-CB 4.44Å; F153-D158 HydrophobicContact CG-CB 4.14Å; F153-M159 HydrophobicContact CB-CB 4.33Å; F153-M159 HydrophobicContact CD2-CB 3.89Å; F153-M159 HydrophobicContact CD2-CG 4.18Å; F153-M159 HydrophobicContact CG-CB 4.36Å; F153-A162 HydrophobicContact CE1-CB 4.41Å; F153-A162 HydrophobicContact CE2-CB 3.58Å; F153-A162 HydrophobicContact CZ-CB 3.42Å; F153-A162 VanDerWaalsContact CZ-CB 3.42Å
154L82.1Confident85.8Confident83 Ų8365.3 Ų65.344%0.43529%0.285SS..SBendtrans-70.6-30.4174.3-171.565000112.2D137D137-L154 HydrophobicContact CB-CB 4.39Å; D137-L154 PolarHBondContact O-N 3Å; D137-L154 VanDerWaalsContact O-N 3.08Å
155R83.9Confident85.9Confident102 Ų10270.4 Ų70.439%0.38530%0.302SS..SBendtrans-124.7149.6-176.3-65-172.417683.43.4112F112 F153 E157 D158 M159F112-R155 VanDerWaalsContact CD2-C 3.44Å; F153-R155 VanDerWaalsContact C-N 3.31Å; R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 WeakPolarHBondContact CB-OE2 3.42Å; R155-E157 WeakPolarHBondContact CD-OE2 3.11Å; R155-D158 HydrophobicContact CB-CB 4.45Å; R155-M159 PolarHBondContact O-N 2.91Å
156R82.5Confident86.5Confident127 Ų12759.8 Ų59.848%0.47926%0.262SS..Hα-helixtrans-65.4-37.3173.6-173.9178.7-68-164.3-2.6111.5E111 F112 D158 M159 E160E111-R156 IonicContact OE2-NH2 3.88Å; F112-R156 HydrophobicContact CD1-CB 3.83Å; F112-R156 HydrophobicContact CD1-CG 4.15Å; F112-R156 HydrophobicContact CD2-CB 4.34Å; F112-R156 HydrophobicContact CE1-CB 3.71Å; F112-R156 HydrophobicContact CE1-CG 4.15Å; F112-R156 HydrophobicContact CE2-CB 4.23Å; F112-R156 HydrophobicContact CG-CB 4.18Å; F112-R156 HydrophobicContact CZ-CB 3.92Å; R156-D158 VanDerWaalsContact C-N 3.32Å; R156-D158 PolarHBondContact O-N 2.85Å; R156-M159 HydrophobicContact CG-CE 4.42Å; R156-M159 WeakPolarHBondContact O-CB 3.27Å; R156-M159 PolarHBondContact O-N 3.39Å; R156-E160 HydrophobicContact CG-CG 4.49Å; R156-E160 PolarHBondContact O-N 2.8Å
157E86.4Confident86.9Confident132 Ų13257.4 Ų57.462%0.61725%0.249SC*.Hα-helixtrans-60.7-43.6179.8-58.199.4-169.200111.4R155 M159 E160 Y161R155-E157 VanDerWaalsContact C-N 3.33Å; R155-E157 WeakPolarHBondContact CB-OE2 3.42Å; R155-E157 WeakPolarHBondContact CD-OE2 3.11Å; E157-M159 VanDerWaalsContact C-N 3.33Å; E157-M159 PolarHBondContact O-N 2.84Å; E157-E160 PolarHBondContact O-N 3Å; E157-Y161 WeakPolarHBondContact O-CB 3.36Å; E157-Y161 PolarHBondContact O-N 2.86Å
158D90.1Very high87.4Confident27 Ų2765.4 Ų65.414%0.14428%0.276CS..Hα-helixtrans-62.3-40.9177.3-59.8-3.6000111.2D137 F153 R155 R156 Y161 A162D137-D158 PolarHBondContact N-OD2 2.78Å; F153-D158 HydrophobicContact CB-CB 4.18Å; F153-D158 HydrophobicContact CD1-CB 3.75Å; F153-D158 HydrophobicContact CE1-CB 4.44Å; F153-D158 HydrophobicContact CG-CB 4.14Å; R155-D158 HydrophobicContact CB-CB 4.45Å; R156-D158 VanDerWaalsContact C-N 3.32Å; R156-D158 PolarHBondContact O-N 2.85Å; D158-Y161 PolarHBondContact O-N 3.39Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 2.87Å
159M87.3Confident87.6Confident9 Ų963.2 Ų63.24%0.04427%0.269CS..Hα-helixtrans-62.4-48.3175.6-173.8-167.175.600111.8F112 V114 F153 R155 R156 E157 Y161 A162 L163 E185F112-M159 VanDerWaalsContact CA-SD 3.57Å; F112-M159 HydrophobicContact CB-CB 4.08Å; F112-M159 HydrophobicContact CB-CG 4.36Å; F112-M159 HydrophobicContact CB-SD 3.79Å; V114-M159 HydrophobicContact CG1-CG 3.49Å; V114-M159 VanDerWaalsContact CG1-CG 3.49Å; V114-M159 HydrophobicContact CG1-SD 4.31Å; F153-M159 HydrophobicContact CB-CB 4.33Å; F153-M159 HydrophobicContact CD2-CB 3.89Å; F153-M159 HydrophobicContact CD2-CG 4.18Å; F153-M159 HydrophobicContact CG-CB 4.36Å; R155-M159 PolarHBondContact O-N 2.91Å; R156-M159 HydrophobicContact CG-CE 4.42Å; R156-M159 WeakPolarHBondContact O-CB 3.27Å; R156-M159 PolarHBondContact O-N 3.39Å; E157-M159 VanDerWaalsContact C-N 3.33Å; E157-M159 PolarHBondContact O-N 2.84Å; M159-Y161 VanDerWaalsContact C-N 3.28Å; M159-Y161 PolarHBondContact O-N 2.75Å; M159-A162 WeakPolarHBondContact O-CB 3.47Å; M159-A162 PolarHBondContact O-N 2.8Å; M159-L163 HydrophobicContact CE-CD1 4.27Å; M159-L163 HydrophobicContact CG-CD1 4.28Å; M159-L163 WeakPolarHBondContact O-CG 3.05Å; M159-L163 PolarHBondContact O-N 2.75Å; M159-E185 HydrophobicContact CE-CG 4.24Å; M159-E185 HydrophobicContact SD-CG 4.48Å
160E88Confident87.8Confident75 Ų7568.2 Ų68.235%0.3529%0.291SS..Hα-helixtrans-62.9-37.6177.7-73.7-172.3-151.900111.8R156 E157 L163 R164R156-E160 HydrophobicContact CG-CG 4.49Å; R156-E160 PolarHBondContact O-N 2.8Å; E157-E160 PolarHBondContact O-N 3Å; E160-L163 PolarHBondContact O-N 2.8Å; E160-R164 WeakPolarHBondContact O-CB 3.35Å; E160-R164 VanDerWaalsContact O-CG 3.25Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.41Å; E160-R164 IonicContact OE2-CZ 2.74Å; E160-R164 IonicContact OE2-NH2 3Å; E160-R164 PolarHBondContact OE2-NH2 3.27Å
161Y90.2Very high87.8Confident90 Ų9067.7 Ų67.735%0.35329%0.288SS..Hα-helixtrans-63.8-44174.4-170.8-83000111.2A135 E157 D158 M159 L163 R164 R165A135-Y161 VanDerWaalsContact CA-CD1 3.47Å; A135-Y161 HydrophobicContact CB-CD1 3.66Å; A135-Y161 HydrophobicContact CB-CE1 4.42Å; E157-Y161 WeakPolarHBondContact O-CB 3.36Å; E157-Y161 PolarHBondContact O-N 2.86Å; D158-Y161 PolarHBondContact O-N 3.39Å; M159-Y161 VanDerWaalsContact C-N 3.28Å; M159-Y161 PolarHBondContact O-N 2.75Å; Y161-L163 VanDerWaalsContact C-N 3.33Å; Y161-L163 PolarHBondContact O-N 3.28Å; Y161-R164 PolarHBondContact O-N 2.9Å; Y161-R165 HydrophobicContact CD1-CB 4.03Å; Y161-R165 HydrophobicContact CE1-CB 3.81Å; Y161-R165 HydrophobicContact CE1-CG 3.95Å; Y161-R165 VanDerWaalsContact O-CB 3.29Å; Y161-R165 WeakPolarHBondContact O-CB 3.11Å; Y161-R165 PolarHBondContact O-N 2.86Å; Y161-R165 VanDerWaalsContact OH-CD 3.31Å; Y161-R165 WeakPolarHBondContact OH-CD 3.42Å; Y161-R165 PolarHBondContact OH-NE 3.19Å
162A88.6Confident87.7Confident0 Ų076.3 Ų76.30%032%0.321CS..Iπ-helixtrans-58.3-44.8176.100000111.8M132 A135 F153 D158 M159 R164 L166 D167M132-A162 HydrophobicContact CE-CB 4.1Å; A135-A162 HydrophobicContact CB-CB 3.53Å; F153-A162 HydrophobicContact CE1-CB 4.41Å; F153-A162 HydrophobicContact CE2-CB 3.58Å; F153-A162 HydrophobicContact CZ-CB 3.42Å; F153-A162 VanDerWaalsContact CZ-CB 3.42Å; D158-A162 WeakPolarHBondContact O-CB 3.25Å; D158-A162 PolarHBondContact O-N 2.87Å; M159-A162 WeakPolarHBondContact O-CB 3.47Å; M159-A162 PolarHBondContact O-N 2.8Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 3.42Å; A162-L166 HydrophobicContact CB-CD1 4.22Å; A162-L166 WeakPolarHBondContact O-CA 3.49Å; A162-L166 VanDerWaalsContact O-CB 3.3Å; A162-L166 WeakPolarHBondContact O-CB 3.48Å; A162-L166 PolarHBondContact O-N 2.9Å; A162-D167 PolarHBondContact O-N 3.34Å
163L88.5Confident87.8Confident41 Ų4175.8 Ų75.822%0.21532%0.319CS..Iπ-helixtrans-63.9-37.4178.1-68.7166.1000112.6V114 M159 E160 Y161 D167 V183 Y184 E185V114-L163 HydrophobicContact CG1-CD2 4.09Å; V114-L163 HydrophobicContact CG1-CG 4.2Å; M159-L163 HydrophobicContact CE-CD1 4.27Å; M159-L163 HydrophobicContact CG-CD1 4.28Å; M159-L163 WeakPolarHBondContact O-CG 3.05Å; M159-L163 PolarHBondContact O-N 2.75Å; E160-L163 PolarHBondContact O-N 2.8Å; Y161-L163 VanDerWaalsContact C-N 3.33Å; Y161-L163 PolarHBondContact O-N 3.28Å; L163-D167 WeakPolarHBondContact O-CB 3.11Å; L163-V183 HydrophobicContact CD2-CB 4.47Å; L163-V183 HydrophobicContact CD2-CG1 3.9Å; L163-V183 WeakPolarHBondContact CD2-O 3.44Å; L163-Y184 VanDerWaalsContact CD2-C 3.47Å; L163-E185 HydrophobicContact CD1-CB 3.93Å; L163-E185 HydrophobicContact CD1-CG 4.49Å; L163-E185 HydrophobicContact CD2-CB 4.27Å; L163-E185 VanDerWaalsContact CD2-N 3.31Å
164R86.6Confident87.6Confident198 Ų19881.3 Ų81.375%0.74734%0.344SS*.Iπ-helixtrans-82.4-34.6-177.1-68.3176-162.4-157.211.4113.2E160 Y161 A162E160-R164 WeakPolarHBondContact O-CB 3.35Å; E160-R164 VanDerWaalsContact O-CG 3.25Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 3.41Å; E160-R164 IonicContact OE2-CZ 2.74Å; E160-R164 IonicContact OE2-NH2 3Å; E160-R164 PolarHBondContact OE2-NH2 3.27Å; Y161-R164 PolarHBondContact O-N 2.9Å; A162-R164 VanDerWaalsContact C-N 3.33Å; A162-R164 PolarHBondContact O-N 3.42Å
165R86.8Confident87.6Confident161 Ų16183.5 Ų83.561%0.60835%0.352SS*.Iπ-helixtrans-117.6-25.7-164.6-163.3131.9173.6167.51.9114.1Y161 T169Y161-R165 HydrophobicContact CD1-CB 4.03Å; Y161-R165 HydrophobicContact CE1-CB 3.81Å; Y161-R165 HydrophobicContact CE1-CG 3.95Å; Y161-R165 VanDerWaalsContact O-CB 3.29Å; Y161-R165 WeakPolarHBondContact O-CB 3.11Å; Y161-R165 PolarHBondContact O-N 2.86Å; Y161-R165 VanDerWaalsContact OH-CD 3.31Å; Y161-R165 WeakPolarHBondContact OH-CD 3.42Å; Y161-R165 PolarHBondContact OH-NE 3.19Å; R165-T169 VanDerWaalsContact O-CG2 3.31Å; R165-T169 WeakPolarHBondContact O-CG2 3.47Å
166L87.8Confident87.5Confident0 Ų080.6 Ų80.60%035%0.354CS..Iπ-helixtrans-97.5-9.2177.1-57.2-176.1000113.1M132 E134 A135 A162 R168 T169 V183M132-L166 HydrophobicContact SD-CB 4.26Å; M132-L166 HydrophobicContact SD-CD1 3.58Å; M132-L166 VanDerWaalsContact SD-CD1 3.58Å; E134-L166 HydrophobicContact CB-CD2 4.07Å; E134-L166 HydrophobicContact CG-CD2 4.15Å; A135-L166 HydrophobicContact CB-CD1 3.48Å; A135-L166 VanDerWaalsContact CB-CD1 3.48Å; A135-L166 HydrophobicContact CB-CG 4.16Å; A162-L166 HydrophobicContact CB-CD1 4.22Å; A162-L166 WeakPolarHBondContact O-CA 3.49Å; A162-L166 VanDerWaalsContact O-CB 3.3Å; A162-L166 WeakPolarHBondContact O-CB 3.48Å; A162-L166 PolarHBondContact O-N 2.9Å; L166-R168 PolarHBondContact O-N 2.94Å; L166-T169 HydrophobicContact CD2-CG2 4.47Å; L166-T169 PolarHBondContact O-N 2.71Å; L166-T169 PolarHBondContact O-OG1 3.39Å; L166-V183 HydrophobicContact CB-CG2 4.35Å
167D89.2Confident87.7Confident43 Ų4378.6 Ų78.623%0.2335%0.351CS..THydrogen-bonded Turntrans-61.3134.6167.3-178.859.9000111.4A162 L163 T169 R182 V183A162-D167 PolarHBondContact O-N 3.34Å; L163-D167 WeakPolarHBondContact O-CB 3.11Å; D167-T169 PolarHBondContact O-N 3.27Å; D167-R182 WeakPolarHBondContact OD1-CA 3.41Å; D167-V183 PolarHBondContact OD1-N 3.49Å
168R88.9Confident87.9Confident179 Ų17975.8 Ų75.868%0.67534%0.342SS*.THydrogen-bonded Turntrans58.824.9-179.1-64.5175.9-70.6148.21.4114.5L166 I181L166-R168 PolarHBondContact O-N 2.94Å; R168-I181 WeakPolarHBondContact CA-O 3.4Å; R168-I181 PolarHBondContact N-O 3.44Å
169T91.1Very high87.9Confident34 Ų3476.3 Ų76.321%0.20935%0.348CS..PPolyproline II helixtrans-81.4151.3171.656.10000111.5H131 R165 L166 D167 F171 Y180 I181H131-T169 PolarHBondContact NE2-OG1 2.71Å; R165-T169 VanDerWaalsContact O-CG2 3.31Å; R165-T169 WeakPolarHBondContact O-CG2 3.47Å; L166-T169 HydrophobicContact CD2-CG2 4.47Å; L166-T169 PolarHBondContact O-N 2.71Å; L166-T169 PolarHBondContact O-OG1 3.39Å; D167-T169 PolarHBondContact O-N 3.27Å; T169-F171 PolarHBondContact O-N 2.93Å; T169-Y180 WeakPolarHBondContact O-CA 3.29Å; T169-I181 WeakPolarHBondContact O-CG1 3.22Å; T169-I181 PolarHBondContact O-N 3.19Å
170E92.2Very high88.2Confident105 Ų10583.7 Ų83.749%0.49138%0.377SS..EExtended strand (participates in β ladder)trans-75.4117.4172.9-174.4178.4-160.700109.3H131 T178 Y180H131-E170 PolarHBondContact CE1-O 3.19Å; H131-E170 VanDerWaalsContact CE1-O 3.28Å; E170-T178 HydrophobicContact CG-CG2 4.45Å; E170-T178 WeakPolarHBondContact OE1-CB 3.42Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.43Å; E170-T178 PolarHBondContact OE1-OG1 2.69Å; E170-Y180 HydrophobicContact CB-CD1 4.47Å; E170-Y180 HydrophobicContact CB-CE1 4.23Å
171F90.8Very high88.4Confident1 Ų180.1 Ų80.10%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-95.9134.3174.8178.7-91.6000110.2L119 P120 D127 L128 H131 T169 T178 S179 I181L119-F171 HydrophobicContact CD2-CD1 3.98Å; L119-F171 HydrophobicContact CD2-CD2 4.12Å; L119-F171 HydrophobicContact CD2-CE1 3.91Å; L119-F171 HydrophobicContact CD2-CE2 4.11Å; L119-F171 HydrophobicContact CD2-CG 4.02Å; L119-F171 HydrophobicContact CD2-CZ 3.94Å; P120-F171 HydrophobicContact CG-CD1 3.56Å; P120-F171 HydrophobicContact CG-CE1 3.69Å; D127-F171 VanDerWaalsContact C-CE2 3.48Å; D127-F171 HydrophobicContact CB-CE1 4.21Å; D127-F171 HydrophobicContact CB-CE2 4.12Å; D127-F171 HydrophobicContact CB-CZ 3.43Å; D127-F171 VanDerWaalsContact CB-CZ 3.43Å; D127-F171 WeakPolarHBondContact O-CE2 3.32Å; L128-F171 HydrophobicContact CB-CE2 4.37Å; L128-F171 HydrophobicContact CB-CZ 4.46Å; H131-F171 HydrophobicContact CB-CD2 3.76Å; H131-F171 HydrophobicContact CB-CE2 3.79Å; H131-F171 AromaticContact CG-CD2 3.7Å; H131-F171 AromaticContact ND1-CD2 3.91Å; T169-F171 PolarHBondContact O-N 2.93Å; F171-T178 CarbonylContact O-C 3.53Å; F171-T178 WeakPolarHBondContact O-CA 3.43Å; F171-S179 WeakPolarHBondContact CA-O 3.25Å; F171-S179 WeakPolarHBondContact CB-O 3.49Å; F171-S179 PolarHBondContact N-O 2.79Å; F171-S179 PolarHBondContact O-N 2.91Å; F171-I181 HydrophobicContact CB-CB 4.41Å; F171-I181 HydrophobicContact CB-CG1 4.28Å; F171-I181 HydrophobicContact CB-CG2 3.41Å; F171-I181 VanDerWaalsContact CB-CG2 3.41Å; F171-I181 HydrophobicContact CD2-CG2 4.39Å; F171-I181 HydrophobicContact CG-CG2 3.91Å
172R88.9Confident88.4Confident181 Ų18182.3 Ų82.368%0.68337%0.368SS*.EExtended strand (participates in β ladder)trans-115.9125.3178.6179.8172.4166171.5-1.9111.2T178R172-T178 HydrophobicContact CB-CG2 3.99Å; R172-T178 HydrophobicContact CG-CG2 3.99Å
173S87.6Confident88.5Confident3 Ų382.6 Ų82.62%0.02137%0.369CS..  trans-75.7153.6171.4170.80000111.7T122 Q175 G176 E177T122-S173 WeakPolarHBondContact CB-OG 3.43Å; T122-S173 PolarHBondContact O-OG 3.21Å; T122-S173 VanDerWaalsContact OG1-CB 3.29Å; T122-S173 WeakPolarHBondContact OG1-CB 3.19Å; T122-S173 PolarHBondContact OG1-OG 3.15Å; S173-Q175 PolarHBondContact O-N 2.82Å; S173-Q175 VanDerWaalsContact O-N 3.13Å; S173-Q175 PolarHBondContact OG-N 3.39Å; S173-G176 PolarHBondContact O-N 3.21Å; S173-E177 WeakPolarHBondContact CB-O 3.3Å; S173-E177 PolarHBondContact N-O 3.13Å
174H81.5Confident88.4Confident117 Ų11785.7 Ų85.754%0.54238%0.379SS..THydrogen-bonded Turntrans-55.9-24.1169.667.7-77.2000113.8T122 D127 G176T122-H174 PolarHBondContact O-CE1 2.77Å; D127-H174 PolarHBondContact OD1-N 3.47Å; D127-H174 IonicContact OD2-CE1 3.96Å; D127-H174 IonicContact OD2-CG 3.72Å; D127-H174 PolarHBondContact OD2-N 3.28Å; D127-H174 IonicContact OD2-ND1 2.91Å; D127-H174 PolarHBondContact OD2-ND1 3.26Å; H174-G176 VanDerWaalsContact C-N 3.28Å
175Q81.6Confident88.4Confident128 Ų12880.2 Ų80.260%0.59836%0.362SS*.THydrogen-bonded Turntrans-85.30.9176.3-56.1-168.835.300113.4T122 S173T122-Q175 HydrophobicContact CG2-CB 4.25Å; T122-Q175 HydrophobicContact CG2-CG 4.3Å; S173-Q175 PolarHBondContact O-N 2.82Å; S173-Q175 VanDerWaalsContact O-N 3.13Å; S173-Q175 PolarHBondContact OG-N 3.39Å
176G83.4Confident87.7Confident42 Ų4275.4 Ų75.443%0.43335%0.346SS..SBendtrans86.70.2178.400000114.9S173 H174S173-G176 PolarHBondContact O-N 3.21Å; H174-G176 VanDerWaalsContact C-N 3.28Å
177E87.1Confident86Confident85 Ų8585 Ų8540%0.39738%0.383SS..  trans-68.7137.3168.5-66.1-178.1172.500110.3P120 T122 S173P120-E177 HydrophobicContact CB-CB 3.96Å; T122-E177 WeakPolarHBondContact CB-OE2 3.11Å; T122-E177 VanDerWaalsContact CG2-CD 3.43Å; T122-E177 HydrophobicContact CG2-CG 4.39Å; T122-E177 WeakPolarHBondContact CG2-OE1 3.39Å; T122-E177 VanDerWaalsContact CG2-OE2 3.26Å; T122-E177 WeakPolarHBondContact CG2-OE2 3.18Å; T122-E177 PolarHBondContact N-OE2 2.92Å; T122-E177 PolarHBondContact OG1-OE2 2.69Å; S173-E177 WeakPolarHBondContact CB-O 3.3Å; S173-E177 PolarHBondContact N-O 3.13Å
178T90.1Very high84.2Confident72 Ų7287.3 Ų87.344%0.44242%0.416SS..EExtended strand (participates in β ladder)trans-118.3147.4172.468.40000111.4E170 F171 R172E170-T178 HydrophobicContact CG-CG2 4.45Å; E170-T178 WeakPolarHBondContact OE1-CB 3.42Å; E170-T178 WeakPolarHBondContact OE1-CG2 3.43Å; E170-T178 PolarHBondContact OE1-OG1 2.69Å; F171-T178 CarbonylContact O-C 3.53Å; F171-T178 WeakPolarHBondContact O-CA 3.43Å; R172-T178 HydrophobicContact CB-CG2 3.99Å; R172-T178 HydrophobicContact CG-CG2 3.99Å
179S90.4Very high81.8Confident39 Ų3982.2 Ų82.227%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-153.2155.1176.8-174.10000109.9G118 F171G118-S179 VanDerWaalsContact O-CB 3.3Å; G118-S179 WeakPolarHBondContact O-CB 3.43Å; G118-S179 PolarHBondContact O-OG 2.63Å; F171-S179 WeakPolarHBondContact CA-O 3.25Å; F171-S179 WeakPolarHBondContact CB-O 3.49Å; F171-S179 PolarHBondContact N-O 2.79Å; F171-S179 PolarHBondContact O-N 2.91Å
180Y92Very high79.3Confident163 Ų16383.8 Ų83.864%0.63944%0.443SS*.EExtended strand (participates in β ladder)trans-86.1122.5175.3-67.9-87000110.3T169 E170T169-Y180 WeakPolarHBondContact O-CA 3.29Å; E170-Y180 HydrophobicContact CB-CD1 4.47Å; E170-Y180 HydrophobicContact CB-CE1 4.23Å
181I92.4Very high76.7Confident0 Ų083 Ų830%045%0.453CS..  trans-90.8153.5178.358.7162.6000111.7V116 T117 L119 M132 R168 T169 F171 V183V116-I181 HydrophobicContact CG1-CB 3.87Å; V116-I181 HydrophobicContact CG1-CD1 3.96Å; V116-I181 HydrophobicContact CG1-CG2 4.09Å; T117-I181 CarbonylContact O-C 3.58Å; T117-I181 VanDerWaalsContact O-CA 3.27Å; T117-I181 WeakPolarHBondContact O-CA 3.45Å; L119-I181 HydrophobicContact CD2-CG2 3.56Å; L119-I181 HydrophobicContact CG-CG2 4.24Å; M132-I181 HydrophobicContact SD-CD1 4.5Å; R168-I181 WeakPolarHBondContact CA-O 3.4Å; R168-I181 PolarHBondContact N-O 3.44Å; T169-I181 WeakPolarHBondContact O-CG1 3.22Å; T169-I181 PolarHBondContact O-N 3.19Å; F171-I181 HydrophobicContact CB-CB 4.41Å; F171-I181 HydrophobicContact CB-CG1 4.28Å; F171-I181 HydrophobicContact CB-CG2 3.41Å; F171-I181 VanDerWaalsContact CB-CG2 3.41Å; F171-I181 HydrophobicContact CD2-CG2 4.39Å; F171-I181 HydrophobicContact CG-CG2 3.91Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å
182R90.6Very high74.2Confident136 Ų13686.8 Ų86.851%0.51348%0.479SS..EExtended strand (participates in β ladder)trans-120.6139.7169-62.9-169.2-176.5-1671.7109.7V116 T117 D167 Y184V116-R182 CarbonylContact C-O 3.49Å; V116-R182 VanDerWaalsContact CA-O 3.25Å; V116-R182 WeakPolarHBondContact CA-O 3.46Å; T117-R182 PolarHBondContact N-O 3.04Å; T117-R182 PolarHBondContact O-N 2.68Å; D167-R182 WeakPolarHBondContact OD1-CA 3.41Å; R182-Y184 HydrophobicContact CB-CD2 4.45Å; R182-Y184 HydrophobicContact CB-CE2 3.58Å; R182-Y184 WeakPolarHBondContact CD-OH 3.46Å; R182-Y184 PolarHBondContact NH1-OH 3.49Å
183V90.9Very high72Confident6 Ų685.2 Ų85.24%0.03648%0.483CS..EExtended strand (participates in β ladder)trans-119.3123.2-175.9-171.20000108.9V114 I115 V116 M132 L163 L166 D167 I181V114-V183 HydrophobicContact CB-CG1 3.77Å; V114-V183 HydrophobicContact CG1-CG1 4.17Å; V114-V183 HydrophobicContact CG2-CG1 3.8Å; I115-V183 WeakPolarHBondContact O-CA 3.45Å; V116-V183 HydrophobicContact CG2-CG1 4.4Å; V116-V183 HydrophobicContact CG2-CG2 4.3Å; M132-V183 HydrophobicContact CE-CG1 4.05Å; M132-V183 HydrophobicContact CE-CG2 4.33Å; M132-V183 HydrophobicContact SD-CG2 4.39Å; L163-V183 HydrophobicContact CD2-CB 4.47Å; L163-V183 HydrophobicContact CD2-CG1 3.9Å; L163-V183 WeakPolarHBondContact CD2-O 3.44Å; L166-V183 HydrophobicContact CB-CG2 4.35Å; D167-V183 PolarHBondContact OD1-N 3.49Å; I181-V183 HydrophobicContact CD1-CG2 4.3Å
184Y86.4Confident69.7Low107 Ų10792.3 Ų92.342%0.4251%0.51SS..EExtended strand (participates in β ladder)trans-124142.9-179.8-54.3-81.7000110.6V114 I115 T117 L163 R182V114-Y184 CarbonylContact C-O 3.51Å; V114-Y184 WeakPolarHBondContact CA-O 3.41Å; V114-Y184 WeakPolarHBondContact CB-O 3.47Å; I115-Y184 PolarHBondContact N-O 3.21Å; I115-Y184 PolarHBondContact O-N 3.49Å; T117-Y184 HydrophobicContact CG2-CD2 4.5Å; T117-Y184 HydrophobicContact CG2-CE2 4.39Å; L163-Y184 VanDerWaalsContact CD2-C 3.47Å; R182-Y184 HydrophobicContact CB-CD2 4.45Å; R182-Y184 HydrophobicContact CB-CE2 3.58Å; R182-Y184 WeakPolarHBondContact CD-OH 3.46Å; R182-Y184 PolarHBondContact NH1-OH 3.49Å
185E85.8Confident67.9Low82 Ų8288.8 Ų88.838%0.38351%0.505SS..EExtended strand (participates in β ladder)trans-69.2133.9172.2-175-175.4-163.400109.5M159 L163 R187M159-E185 HydrophobicContact CE-CG 4.24Å; M159-E185 HydrophobicContact SD-CG 4.48Å; L163-E185 HydrophobicContact CD1-CB 3.93Å; L163-E185 HydrophobicContact CD1-CG 4.49Å; L163-E185 HydrophobicContact CD2-CB 4.27Å; L163-E185 VanDerWaalsContact CD2-N 3.31Å; E185-R187 HydrophobicContact CB-CG 4.49Å; E185-R187 HydrophobicContact CG-CG 4.35Å; E185-R187 PolarHBondContact O-N 3.23Å; E185-R187 IonicContact OE2-CZ 2.92Å; E185-R187 IonicContact OE2-NE 2.67Å; E185-R187 PolarHBondContact OE2-NE 2.61Å; E185-R187 IonicContact OE2-NH2 3.9Å
186E72.2Confident65.9Low61 Ų6194.1 Ų94.129%0.28552%0.52SS..  trans-72.683.5168.7-169.7179.8-148.700108.8R113 I115 G188R113-E186 HydrophobicContact CB-CB 4.36Å; R113-E186 WeakPolarHBondContact CD-OE2 3.42Å; R113-E186 HydrophobicContact CG-CB 4.36Å; R113-E186 WeakPolarHBondContact CG-OE2 3.36Å; R113-E186 IonicContact CZ-OE1 3.47Å; R113-E186 IonicContact CZ-OE2 3.34Å; R113-E186 IonicContact NE-OE2 3.39Å; R113-E186 PolarHBondContact NE-OE2 3.13Å; R113-E186 IonicContact NH1-OE1 2.71Å; R113-E186 PolarHBondContact NH1-OE1 2.82Å; R113-E186 IonicContact NH1-OE2 2.75Å; R113-E186 PolarHBondContact NH1-OE2 2.76Å; R113-E186 WeakPolarHBondContact O-CB 3.26Å; R113-E186 PolarHBondContact O-N 3.36Å; I115-E186 HydrophobicContact CD1-CG 4.48Å; I115-E186 HydrophobicContact CG1-CB 4.47Å; E186-G188 PolarHBondContact O-N 3.28Å; E186-G188 VanDerWaalsContact O-N 3.15Å
187R53.1Low63.5Low202 Ų20297.6 Ų97.676%0.76254%0.538SS*.  trans-64.8116.9176.2-73.8-173.8179-139.5-3.4109.4E185 G189E185-R187 HydrophobicContact CB-CG 4.49Å; E185-R187 HydrophobicContact CG-CG 4.35Å; E185-R187 PolarHBondContact O-N 3.23Å; E185-R187 IonicContact OE2-CZ 2.92Å; E185-R187 IonicContact OE2-NE 2.67Å; E185-R187 PolarHBondContact OE2-NE 2.61Å; E185-R187 IonicContact OE2-NH2 3.9Å; R187-G189 PolarHBondContact O-N 3.34Å
188G50.8Low60.9Low90 Ų90103.5 Ų103.593%0.92856%0.556SS**SBendtrans-47.5103.3179.500000112.8E186E186-G188 PolarHBondContact O-N 3.28Å; E186-G188 VanDerWaalsContact O-N 3.15Å
189G38.3Very low58.3Low72 Ų72105.5 Ų105.574%0.74257%0.573SS**SBendtrans-162.275.3176.900000109.3R187R187-G189 PolarHBondContact O-N 3.34Å
190G38.5Very low55.5Low68 Ų68115.5 Ų115.570%0.70161%0.605SS**  trans6395.3171.500000114.1P192G190-P192 WeakPolarHBondContact O-CD 2.96Å
191A38.9Very low52.8Low87 Ų87113 Ų11372%0.71961%0.612SS**  trans-47.6115.2171.200000110.3N193A191-N193 PolarHBondContact O-N 2.76Å
192P37.2Very low49.9Very low82 Ų82125 Ų12553%0.53266%0.657SS.*  trans-59.7131158.3-9.424.6000104.8G190 W194G190-P192 WeakPolarHBondContact O-CD 2.96Å; P192-W194 PolarHBondContact O-N 3.18Å
193N42.8Very low47.3Very low147 Ų147123.7 Ų123.779%0.78667%0.669SS**  trans-63.682.5177.9-173.112.3000109.1A191 G195A191-N193 PolarHBondContact O-N 2.76Å; N193-G195 PolarHBondContact O-N 3.21Å; N193-G195 WeakPolarHBondContact OD1-CA 3.4Å; N193-G195 PolarHBondContact OD1-N 3.36Å
194W40.3Very low44.6Very low152 Ų152135.4 Ų135.458%0.57671%0.712SS**  trans-77.413.5168.3-70106.5000111.2Q144 P192 R196Q144-W194 VanDerWaalsContact OE1-CZ3 3.23Å; P192-W194 PolarHBondContact O-N 3.18Å; W194-R196 PolarHBondContact O-N 3.21Å
195G43.1Very low42.2Very low43 Ų43133.8 Ų133.844%0.44373%0.728SS.*  trans-68.7117.1154.100000109.3N193N193-G195 PolarHBondContact O-N 3.21Å; N193-G195 WeakPolarHBondContact OD1-CA 3.4Å; N193-G195 PolarHBondContact OD1-N 3.36Å
196R40.5Very low39.7Very low240 Ų240141.9 Ų141.991%0.90676%0.755SS**  trans86.387.2147.5-157.8177.9-141.9-140.61.5115.8W194W194-R196 PolarHBondContact O-N 3.21Å
197S32.5Very low37.7Very low115 Ų115148.7 Ų148.780%0.80478%0.78SS**  trans-164.3100.8141-81.60000112.2
198R31.8Very low36.6Very low209 Ų209144.4 Ų144.479%0.78978%0.781SS**  -179.1104.7125-98.3165.9-178.2164.84110.7
199S35.9Very low35.9Very low115 Ų115143.7 Ų143.780%0.80476%0.759SS**  trans-48.7129.5160.216.90000112.1
200R31.7Very low35.8Very low249 Ų249145.3 Ų145.394%0.9476%0.757SS**  trans-134.7109.9148.3-83.6-171.9174.6160.4-2.5109.8
201S34.3Very low35.5Very low111 Ų111153.3 Ų153.378%0.77677%0.767SS**  trans-57.4129.9179.7-22.10000111.9
202R33Very low35.3Very low251 Ų251158.4 Ų158.495%0.94777%0.774SS**  trans-144.5115.3141.3-73.4-161.4175.2164.2-1.2110.1
203S35Very low35Very low109 Ų109161.5 Ų161.576%0.76279%0.786SS**  trans-64.1146.9-176.6-32.30000113.1
204R34.2Very low34.5Very low252 Ų252165.7 Ų165.795%0.95179%0.791SS**  trans150.293.5153.9-86.6168.7-172.1-168.94.1105.4
205G36Very low34.1Very low73 Ų73162 Ų16275%0.75380%0.799SS**  97.28953.900000109.1
206R33.8Very low33.7Very low251 Ų251165.6 Ų165.695%0.94782%0.818SS**  trans-174103.2140.3-112.2178.3-121.6-1271.1110.5
207Y29.2Very low33.7Very low205 Ų205159.8 Ų159.880%0.80481%0.811SS**  trans-74.5129.7161.9174.6-98.3000108.4P209Y207-P209 HydrophobicContact CE1-CG 4.16Å
208S31.4Very low34Very low112 Ų112160.5 Ų160.578%0.78381%0.813SS**  trans-149.3142.5152.7-94.90000109.4
209P36.2Very low34.4Very low74 Ų74161.7 Ų161.748%0.48182%0.818SS.*  trans-90.6155.3-148-2.523.3000113Y207 Y211Y207-P209 HydrophobicContact CE1-CG 4.16Å; P209-Y211 PolarHBondContact O-N 3.31Å
210P35.1Very low34.5Very low106 Ų106167.1 Ų167.169%0.68882%0.822SS**  trans-75.8125.6177.728.8-30.1000111.5F212P210-F212 PolarHBondContact O-N 3.47Å
211Y33.2Very low34.9Very low236 Ų236160.5 Ų160.593%0.92581%0.811SS**  trans-68112.9165.4-73.5-90.2000109.6P209P209-Y211 PolarHBondContact O-N 3.31Å
212F34.3Very low35Very low195 Ų195161 Ų16186%0.85582%0.815SS**  trans-81.6128.8165.2-85.6-92.1000110.1P210P210-F212 PolarHBondContact O-N 3.47Å
213N31.1Very low35.5Very low147 Ų147154.7 Ų154.779%0.78681%0.806SS**  trans-148.1127.1161.8-154.510.2000103.9
214R32.8Very low35.8Very low235 Ų235155.5 Ų155.589%0.88781%0.809SS**  cis-166.6136.115-157.7175.2-159.5-1574.1105.2
215G31.1Very low36.1Very low73 Ų73155.1 Ų155.175%0.75381%0.808SS**  trans-171.9105.5172.400000110.2
216S34.6Very low36.3Very low119 Ų119160.6 Ų160.683%0.83281%0.813SS**PPolyproline II helixtrans-52.3136.3-169.4-50.20000114.9
217P41.5Very low36.7Very low119 Ų119153.9 Ų153.977%0.77380%0.802SS**PPolyproline II helixtrans-89.5147.3169.428.3-22.3000112.4
218P37.3Very low37.4Very low130 Ų130152.7 Ų152.784%0.84481%0.806SS**PPolyproline II helixtrans-73.8143.8172.729.1-30.3000111.5
219R40.5Very low37.9Very low234 Ų234155.5 Ų155.588%0.88381%0.812SS**PPolyproline II helixtrans-70.2136.6178-70.1178.2172.3-156.9-2111.5
220Y38.6Very low38.4Very low229 Ų229162.4 Ų162.490%0.89883%0.828SS**  trans-164.2161.2146-99.3-68.1000108.6
221P38.9Very low38.8Very low109 Ų109165.9 Ų165.971%0.70884%0.835SS**  -105.7159.4-124.53.121.5000114.7
222S37.9Very low39.6Very low121 Ų121159.2 Ų159.285%0.84682%0.823SS**  trans-72144.8-179.4-45.90000114.6
223P43Very low40.7Very low119 Ų119155.7 Ų155.777%0.77382%0.819SS**  trans-111169.6149.41.620.7000112.8
224P42Very low41.7Very low127 Ų127154.3 Ų154.383%0.82582%0.819SS**  trans-98.3173.2-141.527.7-17.3000117.6
225R39.5Very low42.5Very low243 Ų243149.3 Ų149.392%0.91782%0.816SS**  trans-57.4147.4-173.7-62175.1173-141.2-2115.3
226H39.8Very low43.5Very low188 Ų188156.7 Ų156.787%0.8782%0.821SS**  trans-125.3144151-105.9-92.5000111
227P43.7Very low44Very low110 Ų110163.1 Ų163.171%0.71483%0.827SS**  trans-94.7152-167.436.4-32.7000114.4
228M43.4Very low44.6Very low180 Ų180165.4 Ų165.489%0.88783%0.827SS**  trans27.4128.4152.4-55.4-129.7-166.900119.4
229L41.3Very low45.6Very low172 Ų172164.6 Ų164.690%0.90182%0.823SS**  -152.1126.8125.6-94.4179.3000111.2
230R47Very low46.5Very low218 Ų218159 Ų15982%0.82382%0.816SS**  trans-85.4123.8-177.6-176.7-178.9-170.7-102.45.1108
231H42.6Very low47.3Very low179 Ų179153.6 Ų153.683%0.82981%0.809SS**  trans-138.3117.6166.3-99.653.7000110.8
232S49.9Very low48Very low97 Ų97157.6 Ų157.668%0.67882%0.818SS**PPolyproline II helixtrans-70.5142.9173.6-56.20000111.1
233P57.6Low48.9Very low120 Ų120160.5 Ų160.578%0.77982%0.818SS**PPolyproline II helixtrans-81.5148.5168.729.6-30.1000112.6
234P53Low49.6Very low119 Ų119160 Ų16077%0.77382%0.818SS**PPolyproline II helixtrans-82.6166.9-177.534.2-35.6000113.8
235P49.4Very low50.6Low129 Ų129159.7 Ų159.784%0.83882%0.815SS**PPolyproline II helixtrans-85.4169.5-170.434.5-34.2000115.5
236R51.9Low51.9Low228 Ų228153.7 Ų153.786%0.8681%0.808SS**PPolyproline II helixtrans-57.6150-168.2-64170.3169.2-122.7-1.5116
237R46.4Very low52.9Low254 Ų254150.3 Ų150.396%0.95880%0.802SS**  trans-111.5130.7158.3-80.6-174.3174.1-158.8-1.7110.7
238H53.9Low53.4Low167 Ų167155.7 Ų155.777%0.77381%0.808SS**PPolyproline II helixtrans-79.1154.5173.5-73.7-91.6000111.7
239P58Low53.6Low114 Ų114156 Ų15674%0.7481%0.807SS**PPolyproline II helixtrans-78.1155.6174.731.4-33.1000112.8
240P58.2Low54.1Low115 Ų115157.8 Ų157.875%0.74780%0.804SS**PPolyproline II helixtrans-78.8159.9179.832.5-34.3000113.1
241P55.4Low54.2Low116 Ų116162.4 Ų162.475%0.75382%0.821SS**PPolyproline II helixtrans-78.7141.7-175.830.9-33.2000113.1
242H53.5Low54.8Low194 Ų194161.6 Ų161.690%0.89882%0.821SS**PPolyproline II helixtrans-70.3123.3172.1-103-101.3000111
243H56.7Low55.1Low181 Ų181165 Ų16584%0.83883%0.828SS**PPolyproline II helixtrans-82.8130.5166.2-98.171.5000110.3
244S59.2Low54.9Low110 Ų110167.5 Ų167.577%0.76983%0.831SS**PPolyproline II helixtrans-84.1143.8168.9-65.60000111
245P63.3Low55Low119 Ų119170.4 Ų170.477%0.77384%0.835SS**PPolyproline II helixtrans-79.3154.8176.231.5-32.7000112.5
246P65.3Low55.4Low118 Ų118172.9 Ų172.977%0.76683%0.834SS**PPolyproline II helixtrans-77.6159-176.331.6-34.8000113.3
247P60.4Low55.6Low116 Ų116169.3 Ų169.375%0.75383%0.833SS**PPolyproline II helixtrans-74.6144.8-175.629.4-33000112.6
248R54.5Low56.3Low223 Ų223163.2 Ų163.284%0.84282%0.824SS**PPolyproline II helixtrans-77.4121.1170.5-76.4-178.2165.6-157.9-4.4109.5Y250R248-Y250 PolarHBondContact O-N 3.38Å
249H48.8Very low56.5Low187 Ų187162.9 Ų162.987%0.86683%0.827SS**PPolyproline II helixtrans-66.9121.7164.3-71.5-81000109.3
250Y51.4Low56.3Low209 Ų209167 Ų16782%0.8284%0.835SS**PPolyproline II helixtrans-101.1140.9156.9-100.7-90.6000108.4R248R248-Y250 PolarHBondContact O-N 3.38Å
251R49.5Very low56.2Low316 Ų316171.7 Ų171.7100%1.19284%0.843SS**  trans-57.80-176.4-171.3-177.3-172.9-1413.7113.6

Retrieved 251 of 251 residues in 401.9 ms (Link to these results)

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