A0A087WPY5_MOUSE Loading...

Hydroxy-delta-5-steroid dehydrogenase, 3 beta- and steroid delta-isomerase 9

AlphaFold DB , UniProt , Accession A0A087WPY5, Species MOUSE (Mus musculus, Mouse), Gene Hsd3b9, Length 191 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
1M47.1Very low89Confident179 Ų17939.4 Ų39.488%0.88223%0.225SC*.  0156.60-68.7-179.5-74.500108G3 E28M1-G3 PolarHBondContact O-N 3.45Å; M1-E28 WeakPolarHBondContact CE-OE1 3.49Å; M1-E28 WeakPolarHBondContact CE-OE2 3.12Å
2P66.1Low89.4Confident129 Ų12938.8 Ų38.884%0.83824%0.235SC*.  trans-58.4126.5171.224.6-30.7000107.8
3G84.6Confident89.6Confident21 Ų2138.5 Ų38.522%0.21624%0.244CC..  trans-65.8165-178.400000111.7M1 E28M1-G3 PolarHBondContact O-N 3.45Å; G3-E28 CarbonylContact C-O 3.53Å; G3-E28 WeakPolarHBondContact CA-O 3.34Å
4W95.4Very high89.8Confident76 Ų7642.4 Ų42.429%0.28826%0.256SS..EExtended strand (participates in β ladder)trans-120.4167.6-173.865.7-76.7000111.9C6 L23 E26 E28 L29 Q30 A78W4-C6 HydrophobicContact CE3-CB 4.2Å; W4-C6 HydrophobicContact CH2-CB 4.39Å; W4-C6 HydrophobicContact CZ3-CB 3.64Å; W4-L23 HydrophobicContact CH2-CD2 3.61Å; W4-L23 HydrophobicContact CZ2-CD2 4.26Å; W4-L23 HydrophobicContact CZ3-CD2 4.5Å; W4-E26 HydrophobicContact CZ2-CG 4.5Å; W4-E28 PolarHBondContact N-O 3.45Å; W4-E28 VanDerWaalsContact N-O 3.09Å; W4-L29 HydrophobicContact CD2-CD1 3.44Å; W4-L29 VanDerWaalsContact CD2-CD1 3.44Å; W4-L29 HydrophobicContact CE3-CD1 3.51Å; W4-L29 HydrophobicContact CG-CD1 4.12Å; W4-L29 HydrophobicContact CH2-CD1 3.79Å; W4-L29 HydrophobicContact CZ2-CB 4.4Å; W4-L29 HydrophobicContact CZ2-CD1 3.7Å; W4-L29 HydrophobicContact CZ2-CG 4.47Å; W4-L29 HydrophobicContact CZ3-CD1 3.7Å; W4-L29 WeakPolarHBondContact O-CD1 3.49Å; W4-Q30 PolarHBondContact O-N 2.91Å; W4-A78 HydrophobicContact CE3-CB 4.47Å; W4-A78 HydrophobicContact CZ3-CB 4.27Å
5S97.9Very high90.2Very high10 Ų1042.4 Ų42.47%0.0725%0.253CS..EExtended strand (participates in β ladder)trans-134.8142.6-176.154.50000111.2E31 G75 M76 S77 A78S5-E31 CarbonylContact C-O 3.57Å; S5-E31 WeakPolarHBondContact CA-O 3.47Å; S5-G75 PolarHBondContact OG-O 2.96Å; S5-M76 VanDerWaalsContact OG-CA 3.3Å; S5-M76 WeakPolarHBondContact OG-CA 3.43Å; S5-S77 PolarHBondContact N-OG 3.23Å; S5-S77 VanDerWaalsContact N-OG 3.13Å; S5-S77 WeakPolarHBondContact O-CA 3.3Å; S5-S77 VanDerWaalsContact O-CB 3.29Å; S5-S77 WeakPolarHBondContact O-CB 3.48Å; S5-S77 PolarHBondContact O-N 3.15Å; S5-S77 PolarHBondContact OG-N 3.27Å; S5-S77 PolarHBondContact OG-OG 2.92Å; S5-A78 PolarHBondContact O-N 2.96Å
6C98.4Very high90.5Very high0 Ų039.8 Ų39.80%024%0.238CC..EExtended strand (participates in β ladder)trans-131.6130.4-172.6-169.50000112.3W4 L23 L29 E31 I32 R33 A78W4-C6 HydrophobicContact CE3-CB 4.2Å; W4-C6 HydrophobicContact CH2-CB 4.39Å; W4-C6 HydrophobicContact CZ3-CB 3.64Å; C6-L23 HydrophobicContact CB-CD1 4.2Å; C6-L29 HydrophobicContact CB-CD1 4.07Å; C6-E31 PolarHBondContact N-O 2.85Å; C6-I32 CarbonylContact O-C 3.53Å; C6-I32 WeakPolarHBondContact O-CA 3.22Å; C6-R33 PolarHBondContact O-N 3.08Å; C6-A78 WeakPolarHBondContact CA-O 3.41Å
7L98.8Very high90.7Very high0 Ų041.7 Ų41.70%024%0.244CC..EExtended strand (participates in β ladder)trans-97126.1165.2167.466.1000109.8T9 R33 L35 A72 M76 A78 V79 I80 L108L7-T9 HydrophobicContact CD2-CG2 4.35Å; L7-T9 HydrophobicContact CG-CG2 4.25Å; L7-R33 CarbonylContact C-O 3.57Å; L7-R33 WeakPolarHBondContact CA-O 3.29Å; L7-R33 HydrophobicContact CB-CB 4.43Å; L7-R33 HydrophobicContact CD1-CB 3.83Å; L7-R33 WeakPolarHBondContact CD1-O 3.12Å; L7-L35 HydrophobicContact CD1-CB 4.08Å; L7-A72 HydrophobicContact CD1-CB 4.05Å; L7-A72 HydrophobicContact CD2-CB 3.67Å; L7-M76 HydrophobicContact CB-CG 3.94Å; L7-M76 HydrophobicContact CB-SD 4.21Å; L7-A78 PolarHBondContact N-O 3.22Å; L7-V79 HydrophobicContact CB-CG2 4.03Å; L7-V79 HydrophobicContact CD2-CG2 4.03Å; L7-V79 HydrophobicContact CG-CG2 4.36Å; L7-V79 CarbonylContact O-C 3.55Å; L7-V79 WeakPolarHBondContact O-CA 3.4Å; L7-I80 PolarHBondContact O-N 3.36Å; L7-L108 HydrophobicContact CD2-CD1 4.41Å
8V98.7Very high90.9Very high0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-110.4115.5172-174.30000108.7I19 V20 L23 R33 L35 I80V8-I19 HydrophobicContact CG1-CG2 4.33Å; V8-I19 HydrophobicContact CG2-CG2 4.06Å; V8-V20 HydrophobicContact CB-CG2 4.13Å; V8-V20 HydrophobicContact CG1-CG2 4.27Å; V8-V20 HydrophobicContact CG2-CG2 4.16Å; V8-L23 HydrophobicContact CG2-CD1 3.58Å; V8-R33 PolarHBondContact N-O 3.14Å; V8-L35 PolarHBondContact O-N 2.82Å; V8-I80 WeakPolarHBondContact CA-O 3.34Å; V8-I80 HydrophobicContact CG2-CB 4.47Å
9T98.7Very high91.2Very high0 Ų044.2 Ų44.20%025%0.246CC..EExtended strand (participates in β ladder)trans-93.6147.3171.667.40000110.5L7 A11 L35 I80 H81 T82 A83 L108L7-T9 HydrophobicContact CD2-CG2 4.35Å; L7-T9 HydrophobicContact CG-CG2 4.25Å; T9-A11 VanDerWaalsContact C-N 3.31Å; T9-L35 HydrophobicContact CG2-CB 4.34Å; T9-L35 HydrophobicContact CG2-CD2 3.88Å; T9-I80 PolarHBondContact N-O 3Å; T9-H81 WeakPolarHBondContact OG1-CA 3.36Å; T9-H81 PolarHBondContact OG1-ND1 3.12Å; T9-T82 CarbonylContact O-C 3.58Å; T9-T82 PolarHBondContact O-N 3.2Å; T9-T82 VanDerWaalsContact O-N 3.12Å; T9-T82 PolarHBondContact O-OG1 2.98Å; T9-A83 PolarHBondContact O-N 2.96Å; T9-L108 HydrophobicContact CG2-CD1 4.26Å; T9-L108 HydrophobicContact CG2-CD2 3.85Å
10G96.9Very high91.5Very high17 Ų1742.2 Ų42.218%0.17524%0.235CC..THydrogen-bonded Turntrans77.224.7-17200000111.7G12 G13 L35G10-G12 PolarHBondContact O-N 3.09Å; G10-G12 VanDerWaalsContact O-N 3.12Å; G10-G13 PolarHBondContact O-N 2.85Å; G10-L35 PolarHBondContact N-O 3.45Å
11A96.3Very high91.6Very high1 Ų146 Ų461%0.00825%0.246CC..THydrogen-bonded Turntrans-62.8-19-177.400000113.6T9 Q17 V20 A34 L35 F36T9-A11 VanDerWaalsContact C-N 3.31Å; A11-Q17 WeakPolarHBondContact O-CG 3.3Å; A11-Q17 PolarHBondContact O-N 3.01Å; A11-V20 HydrophobicContact CB-CG2 4.34Å; A11-A34 HydrophobicContact CB-CB 3.63Å; A11-L35 PolarHBondContact N-O 3.31Å; A11-L35 VanDerWaalsContact N-O 3.12Å; A11-F36 VanDerWaalsContact C-CE1 3.47Å; A11-F36 HydrophobicContact CB-CD1 4.31Å; A11-F36 HydrophobicContact CB-CD2 4.3Å; A11-F36 HydrophobicContact CB-CE1 4.01Å; A11-F36 HydrophobicContact CB-CE2 4.01Å; A11-F36 HydrophobicContact CB-CG 4.43Å; A11-F36 HydrophobicContact CB-CZ 3.84Å; A11-F36 WeakPolarHBondContact O-CE1 3.32Å
12G93.3Very high93.9Very high33 Ų3343.9 Ų43.934%0.3424%0.235SC..THydrogen-bonded Turntrans-81.6-11.7171.600000114.4G10 Q17 F36G10-G12 PolarHBondContact O-N 3.09Å; G10-G12 VanDerWaalsContact O-N 3.12Å; G12-Q17 PolarHBondContact O-NE2 3.22Å; G12-F36 VanDerWaalsContact CA-CD1 3.43Å; G12-F36 VanDerWaalsContact N-CD1 3.31Å
13G92.6Very high95.3Very high34 Ų3438.4 Ų38.435%0.35120%0.199SC..SBendtrans-81.8170.1179.500000113.1G10 L15 G16 Q17G10-G13 PolarHBondContact O-N 2.85Å; G13-L15 PolarHBondContact O-N 3.42Å; G13-G16 PolarHBondContact O-N 3.36Å; G13-Q17 WeakPolarHBondContact O-CB 3.47Å; G13-Q17 VanDerWaalsContact O-CG 3.27Å; G13-Q17 WeakPolarHBondContact O-CG 3.24Å; G13-Q17 PolarHBondContact O-N 2.83Å; G13-Q17 VanDerWaalsContact O-N 3.08Å; G13-Q17 PolarHBondContact O-NE2 3.37Å
14F92.6Very high95.8Very high94 Ų9437.7 Ų37.741%0.41219%0.191SC..Hα-helixtrans-57.4-47.5-177.1-178.3-92.2000113.6R18 I190 Y191F14-R18 PolarHBondContact O-NH1 3.43Å; F14-I190 HydrophobicContact CD1-CG2 4.3Å; F14-I190 HydrophobicContact CE1-CB 4.36Å; F14-I190 HydrophobicContact CE1-CG2 3.8Å; F14-Y191 WeakPolarHBondContact CZ-OXT 3.32Å
15L94.9Very high95.7Very high42 Ų4240.6 Ų40.622%0.2221%0.207CC..Hα-helixtrans-73.2-49.1178.7176.659.3000111.5G13 Q17 R18 I19 T82 L187 I190G13-L15 PolarHBondContact O-N 3.42Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.34Å; L15-R18 WeakPolarHBondContact O-CB 3.38Å; L15-R18 PolarHBondContact O-N 3.31Å; L15-I19 HydrophobicContact CD1-CD1 3.96Å; L15-I19 HydrophobicContact CD1-CG1 4.01Å; L15-I19 HydrophobicContact CD2-CD1 4.36Å; L15-I19 HydrophobicContact CG-CD1 3.82Å; L15-I19 HydrophobicContact CG-CG1 4.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.19Å; L15-T82 HydrophobicContact CD2-CG2 4.09Å; L15-T82 HydrophobicContact CG-CG2 4.27Å; L15-L187 HydrophobicContact CD2-CD1 3.48Å; L15-L187 VanDerWaalsContact CD2-CD1 3.48Å; L15-I190 HydrophobicContact CB-CD1 4.3Å; L15-I190 HydrophobicContact CD1-CD1 4.09Å; L15-I190 HydrophobicContact CD2-CD1 3.92Å; L15-I190 HydrophobicContact CG-CD1 4.33Å
16G95.9Very high95.5Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-57-41.1-177.300000113.2G13 R18 I19 V20G13-G16 PolarHBondContact O-N 3.36Å; G16-R18 VanDerWaalsContact C-N 3.32Å; G16-R18 PolarHBondContact O-N 3.29Å; G16-I19 PolarHBondContact O-N 3.11Å; G16-V20 WeakPolarHBondContact O-CG2 3.23Å; G16-V20 PolarHBondContact O-N 2.89Å
17Q93.8Very high95.1Very high73 Ų7353 Ų5334%0.34126%0.264SS..Hα-helixtrans-60.9-39.8175.6-72178.760.100112.5A11 G12 G13 L15 R21A11-Q17 WeakPolarHBondContact O-CG 3.3Å; A11-Q17 PolarHBondContact O-N 3.01Å; G12-Q17 PolarHBondContact O-NE2 3.22Å; G13-Q17 WeakPolarHBondContact O-CB 3.47Å; G13-Q17 VanDerWaalsContact O-CG 3.27Å; G13-Q17 WeakPolarHBondContact O-CG 3.24Å; G13-Q17 PolarHBondContact O-N 2.83Å; G13-Q17 VanDerWaalsContact O-N 3.08Å; G13-Q17 PolarHBondContact O-NE2 3.37Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.34Å; Q17-R21 VanDerWaalsContact O-CG 3.31Å; Q17-R21 WeakPolarHBondContact O-CG 3.26Å; Q17-R21 PolarHBondContact O-N 3.35Å
18R94.8Very high94.9Very high100 Ų10057.2 Ų57.238%0.37728%0.284SS..Hα-helixtrans-70.8-41178.4-74165.2172.575.3-0.8111.5F14 L15 G16 V20 R21 M22F14-R18 PolarHBondContact O-NH1 3.43Å; L15-R18 WeakPolarHBondContact O-CB 3.38Å; L15-R18 PolarHBondContact O-N 3.31Å; G16-R18 VanDerWaalsContact C-N 3.32Å; G16-R18 PolarHBondContact O-N 3.29Å; R18-V20 VanDerWaalsContact C-N 3.35Å; R18-V20 PolarHBondContact O-N 3.01Å; R18-R21 WeakPolarHBondContact O-CB 3.45Å; R18-R21 PolarHBondContact O-N 2.69Å; R18-R21 VanDerWaalsContact O-N 3.16Å; R18-M22 WeakPolarHBondContact O-CG 3.26Å; R18-M22 PolarHBondContact O-N 3.18Å
19I96.6Very high94.7Very high30 Ų3057.4 Ų57.415%0.15429%0.285CS..Hα-helixtrans-59.1-47.3174-66.5180000110.4V8 L15 G16 R21 M22 L23 I80 T82V8-I19 HydrophobicContact CG1-CG2 4.33Å; V8-I19 HydrophobicContact CG2-CG2 4.06Å; L15-I19 HydrophobicContact CD1-CD1 3.96Å; L15-I19 HydrophobicContact CD1-CG1 4.01Å; L15-I19 HydrophobicContact CD2-CD1 4.36Å; L15-I19 HydrophobicContact CG-CD1 3.82Å; L15-I19 HydrophobicContact CG-CG1 4.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.38Å; L15-I19 PolarHBondContact O-N 3.19Å; G16-I19 PolarHBondContact O-N 3.11Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 3.27Å; I19-M22 PolarHBondContact O-N 2.93Å; I19-M22 VanDerWaalsContact O-N 3.13Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.17Å; I19-L23 WeakPolarHBondContact O-CB 3.3Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.29Å; I19-L23 PolarHBondContact O-N 2.85Å; I19-I80 HydrophobicContact CD1-CG2 3.86Å; I19-I80 HydrophobicContact CG2-CD1 3.88Å; I19-I80 HydrophobicContact CG2-CG2 4.45Å; I19-T82 HydrophobicContact CD1-CG2 3.72Å
20V96.2Very high94.6Very high5 Ų563.3 Ų63.33%0.0331%0.312CS..Hα-helixtrans-58.2-42.8175.7170.90000111.3V8 A11 G16 R18 M22 L23 V24 I32 A34 L50V8-V20 HydrophobicContact CB-CG2 4.13Å; V8-V20 HydrophobicContact CG1-CG2 4.27Å; V8-V20 HydrophobicContact CG2-CG2 4.16Å; A11-V20 HydrophobicContact CB-CG2 4.34Å; G16-V20 WeakPolarHBondContact O-CG2 3.23Å; G16-V20 PolarHBondContact O-N 2.89Å; R18-V20 VanDerWaalsContact C-N 3.35Å; R18-V20 PolarHBondContact O-N 3.01Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 2.86Å; V20-V24 WeakPolarHBondContact O-CG1 3.37Å; V20-V24 PolarHBondContact O-N 3.41Å; V20-V24 VanDerWaalsContact O-N 3.08Å; V20-I32 HydrophobicContact CG1-CG2 4.4Å; V20-I32 HydrophobicContact CG2-CG2 4.36Å; V20-A34 HydrophobicContact CG2-CB 4.16Å; V20-L50 HydrophobicContact CG1-CD1 4.27Å
21R94.1Very high94.6Very high122 Ų12263.8 Ų63.846%0.4631%0.31SS..Hα-helixtrans-65.4-30.2176.8-74.1173.7-178.2-174.2-2114Q17 R18 I19 V24 E46 L50Q17-R21 VanDerWaalsContact O-CG 3.31Å; Q17-R21 WeakPolarHBondContact O-CG 3.26Å; Q17-R21 PolarHBondContact O-N 3.35Å; R18-R21 WeakPolarHBondContact O-CB 3.45Å; R18-R21 PolarHBondContact O-N 2.69Å; R18-R21 VanDerWaalsContact O-N 3.16Å; I19-R21 VanDerWaalsContact C-N 3.3Å; I19-R21 PolarHBondContact O-N 3.27Å; R21-V24 WeakPolarHBondContact O-CG2 3.17Å; R21-E46 IonicContact NH2-OE2 3.86Å; R21-L50 HydrophobicContact CG-CD2 4.35Å
22M95.3Very high94.7Very high134 Ų13463.8 Ų63.866%0.6631%0.31SS*.Hα-helixtrans-76.2-46.3173.8-69.1174.567.900110.4R18 I19 V20 V24 Q25R18-M22 WeakPolarHBondContact O-CG 3.26Å; R18-M22 PolarHBondContact O-N 3.18Å; I19-M22 PolarHBondContact O-N 2.93Å; I19-M22 VanDerWaalsContact O-N 3.13Å; V20-M22 VanDerWaalsContact C-N 3.32Å; V20-M22 PolarHBondContact O-N 2.89Å; M22-V24 VanDerWaalsContact C-N 3.27Å; M22-V24 PolarHBondContact O-N 2.87Å; M22-Q25 WeakPolarHBondContact O-CB 3.39Å; M22-Q25 PolarHBondContact O-N 2.77Å
23L96.2Very high94.9Very high15 Ų1564.2 Ų64.28%0.07930%0.301CS..Hα-helixtrans-58.8-35.3-179.8-74.8176.3000113.1W4 C6 V8 I19 V20 Q25 E26 L29 I32 I80W4-L23 HydrophobicContact CH2-CD2 3.61Å; W4-L23 HydrophobicContact CZ2-CD2 4.26Å; W4-L23 HydrophobicContact CZ3-CD2 4.5Å; C6-L23 HydrophobicContact CB-CD1 4.2Å; V8-L23 HydrophobicContact CG2-CD1 3.58Å; I19-L23 HydrophobicContact CG2-CD1 3.84Å; I19-L23 HydrophobicContact CG2-CG 4.17Å; I19-L23 WeakPolarHBondContact O-CB 3.3Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.29Å; I19-L23 PolarHBondContact O-N 2.85Å; V20-L23 PolarHBondContact O-N 2.86Å; L23-Q25 PolarHBondContact O-N 3.03Å; L23-Q25 VanDerWaalsContact O-N 3.13Å; L23-E26 HydrophobicContact CD2-CG 4.49Å; L23-E26 WeakPolarHBondContact O-CB 3.21Å; L23-E26 PolarHBondContact O-N 2.82Å; L23-L29 HydrophobicContact CB-CD2 3.7Å; L23-L29 HydrophobicContact CD2-CD2 4.11Å; L23-L29 HydrophobicContact CG-CD2 4.39Å; L23-L29 WeakPolarHBondContact O-CD2 3.33Å; L23-I32 HydrophobicContact CB-CD1 3.65Å; L23-I32 HydrophobicContact CB-CG1 4.17Å; L23-I80 HydrophobicContact CD1-CD1 4.36Å
24V94.8Very high95.1Very high6 Ų662.6 Ų62.64%0.03628%0.284CS..THydrogen-bonded Turntrans-63.5-17.3177.1-71.80000114V20 R21 M22 I32 L50 T52 V56V20-V24 WeakPolarHBondContact O-CG1 3.37Å; V20-V24 PolarHBondContact O-N 3.41Å; V20-V24 VanDerWaalsContact O-N 3.08Å; R21-V24 WeakPolarHBondContact O-CG2 3.17Å; M22-V24 VanDerWaalsContact C-N 3.27Å; M22-V24 PolarHBondContact O-N 2.87Å; V24-I32 HydrophobicContact CB-CD1 4.31Å; V24-I32 HydrophobicContact CG1-CD1 3.49Å; V24-I32 VanDerWaalsContact CG1-CD1 3.49Å; V24-L50 HydrophobicContact CG1-CB 4.28Å; V24-L50 HydrophobicContact CG1-CD1 3.92Å; V24-L50 HydrophobicContact CG2-CD2 4.39Å; V24-T52 HydrophobicContact CB-CG2 4.19Å; V24-T52 HydrophobicContact CG1-CG2 3.96Å; V24-T52 WeakPolarHBondContact O-CB 3.34Å; V24-T52 PolarHBondContact O-OG1 3.05Å; V24-V56 HydrophobicContact CG1-CG2 3.88Å
25Q93.4Very high95.3Very high136 Ų13658.2 Ų58.264%0.63627%0.266SS*.THydrogen-bonded Turntrans-88.2-7.8176.5-55.7-57.6-61.800112.7M22 L23 E27M22-Q25 WeakPolarHBondContact O-CB 3.39Å; M22-Q25 PolarHBondContact O-N 2.77Å; L23-Q25 PolarHBondContact O-N 3.03Å; L23-Q25 VanDerWaalsContact O-N 3.13Å; Q25-E27 PolarHBondContact O-N 2.92Å
26E93.7Very high95.4Very high100 Ų10056.4 Ų56.447%0.46726%0.256SS..  trans-76.3118.8179.7-64.7-62.414800110.7W4 L23 E28 L29W4-E26 HydrophobicContact CZ2-CG 4.5Å; L23-E26 HydrophobicContact CD2-CG 4.49Å; L23-E26 WeakPolarHBondContact O-CB 3.21Å; L23-E26 PolarHBondContact O-N 2.82Å; E26-E28 PolarHBondContact O-N 2.99Å; E26-L29 HydrophobicContact CB-CB 3.78Å; E26-L29 HydrophobicContact CB-CD2 4.41Å; E26-L29 PolarHBondContact O-N 3.15Å
27E90.6Very high95.3Very high170 Ų17065.3 Ų65.379%0.79429%0.289SS*.THydrogen-bonded Turntrans-69.4-31.6-173.9-61.3-166.7160.200113.6Q25 L29Q25-E27 PolarHBondContact O-N 2.92Å; E27-L29 VanDerWaalsContact C-N 3.34Å
28E93.4Very high95Very high90 Ų9066.6 Ų66.642%0.42130%0.303SS..THydrogen-bonded Turntrans-87.1-4.5-178.7-58.9-162.2141.800113.4M1 G3 W4 E26M1-E28 WeakPolarHBondContact CE-OE1 3.49Å; M1-E28 WeakPolarHBondContact CE-OE2 3.12Å; G3-E28 CarbonylContact C-O 3.53Å; G3-E28 WeakPolarHBondContact CA-O 3.34Å; W4-E28 PolarHBondContact N-O 3.45Å; W4-E28 VanDerWaalsContact N-O 3.09Å; E26-E28 PolarHBondContact O-N 2.99Å
29L95.2Very high94.5Very high4 Ų464.3 Ų64.32%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-82123.7-179.2-17270.2000110.5W4 C6 L23 E26 E27 I32 A54W4-L29 HydrophobicContact CD2-CD1 3.44Å; W4-L29 VanDerWaalsContact CD2-CD1 3.44Å; W4-L29 HydrophobicContact CE3-CD1 3.51Å; W4-L29 HydrophobicContact CG-CD1 4.12Å; W4-L29 HydrophobicContact CH2-CD1 3.79Å; W4-L29 HydrophobicContact CZ2-CB 4.4Å; W4-L29 HydrophobicContact CZ2-CD1 3.7Å; W4-L29 HydrophobicContact CZ2-CG 4.47Å; W4-L29 HydrophobicContact CZ3-CD1 3.7Å; W4-L29 WeakPolarHBondContact O-CD1 3.49Å; C6-L29 HydrophobicContact CB-CD1 4.07Å; L23-L29 HydrophobicContact CB-CD2 3.7Å; L23-L29 HydrophobicContact CD2-CD2 4.11Å; L23-L29 HydrophobicContact CG-CD2 4.39Å; L23-L29 WeakPolarHBondContact O-CD2 3.33Å; E26-L29 HydrophobicContact CB-CB 3.78Å; E26-L29 HydrophobicContact CB-CD2 4.41Å; E26-L29 PolarHBondContact O-N 3.15Å; E27-L29 VanDerWaalsContact C-N 3.34Å; L29-I32 HydrophobicContact CD2-CD1 3.69Å; L29-I32 HydrophobicContact CD2-CG1 3.35Å; L29-I32 HydrophobicContact CG-CG1 4.19Å; L29-A54 HydrophobicContact CG-CB 4.45Å; L29-A54 WeakPolarHBondContact O-CB 3.47Å
30Q96.3Very high93.9Very high123 Ų12364.2 Ų64.258%0.57530%0.302SS*.EExtended strand (participates in β ladder)trans-95-36-177-66.1-174.4-28.900113.1W4 K55W4-Q30 PolarHBondContact O-N 2.91Å; Q30-K55 PolarHBondContact O-N 3.13Å
31E96.8Very high93.2Very high28 Ų2873.8 Ų73.813%0.13134%0.338CS..EExtended strand (participates in β ladder)trans-144.2134.8-178-172.7177-169.400111.3S5 C6 R33 K55 M76S5-E31 CarbonylContact C-O 3.57Å; S5-E31 WeakPolarHBondContact CA-O 3.47Å; C6-E31 PolarHBondContact N-O 2.85Å; E31-R33 HydrophobicContact CG-CG 4.28Å; E31-R33 IonicContact OE1-CZ 2.67Å; E31-R33 IonicContact OE1-NE 3.81Å; E31-R33 PolarHBondContact OE1-NE 2.82Å; E31-R33 IonicContact OE1-NH2 3.16Å; E31-R33 PolarHBondContact OE1-NH2 3.04Å; E31-R33 IonicContact OE2-CZ 3.61Å; E31-R33 IonicContact OE2-NE 2.9Å; E31-R33 IonicContact OE2-NH2 3.66Å; E31-R33 PolarHBondContact OE2-NH2 3.13Å; E31-R33 VanDerWaalsContact OE2-NH2 3.16Å; E31-K55 CarbonylContact C-O 3.36Å; E31-K55 VanDerWaalsContact CA-O 3.28Å; E31-K55 WeakPolarHBondContact CA-O 3.4Å; E31-K55 HydrophobicContact CB-CB 4.48Å; E31-K55 HydrophobicContact CG-CB 4.34Å; E31-K55 HydrophobicContact CG-CD 4.39Å; E31-K55 IonicContact OE1-NZ 3.48Å; E31-M76 HydrophobicContact CG-CE 4.42Å; E31-M76 WeakPolarHBondContact OE2-CE 3.42Å
32I97.6Very high92.7Very high0 Ų075.1 Ų75.10%035%0.347CS..EExtended strand (participates in β ladder)trans-113123.2165.6-59.5166.1000107.8C6 V20 L23 V24 L29 K55 V56 T57C6-I32 CarbonylContact O-C 3.53Å; C6-I32 WeakPolarHBondContact O-CA 3.22Å; V20-I32 HydrophobicContact CG1-CG2 4.4Å; V20-I32 HydrophobicContact CG2-CG2 4.36Å; L23-I32 HydrophobicContact CB-CD1 3.65Å; L23-I32 HydrophobicContact CB-CG1 4.17Å; V24-I32 HydrophobicContact CB-CD1 4.31Å; V24-I32 HydrophobicContact CG1-CD1 3.49Å; V24-I32 VanDerWaalsContact CG1-CD1 3.49Å; L29-I32 HydrophobicContact CD2-CD1 3.69Å; L29-I32 HydrophobicContact CD2-CG1 3.35Å; L29-I32 HydrophobicContact CG-CG1 4.19Å; I32-K55 PolarHBondContact N-O 2.89Å; I32-V56 HydrophobicContact CD1-CG2 4.31Å; I32-T57 PolarHBondContact O-N 2.77Å
33R97.7Very high92.1Very high42 Ų4271.6 Ų71.616%0.15833%0.329CS..EExtended strand (participates in β ladder)trans-102.6118164.6-68.9-177.2-17416214.2109C6 L7 V8 E31 T57 L59 R71 A72 Q74 M76C6-R33 PolarHBondContact O-N 3.08Å; L7-R33 CarbonylContact C-O 3.57Å; L7-R33 WeakPolarHBondContact CA-O 3.29Å; L7-R33 HydrophobicContact CB-CB 4.43Å; L7-R33 HydrophobicContact CD1-CB 3.83Å; L7-R33 WeakPolarHBondContact CD1-O 3.12Å; V8-R33 PolarHBondContact N-O 3.14Å; E31-R33 HydrophobicContact CG-CG 4.28Å; E31-R33 IonicContact OE1-CZ 2.67Å; E31-R33 IonicContact OE1-NE 3.81Å; E31-R33 PolarHBondContact OE1-NE 2.82Å; E31-R33 IonicContact OE1-NH2 3.16Å; E31-R33 PolarHBondContact OE1-NH2 3.04Å; E31-R33 IonicContact OE2-CZ 3.61Å; E31-R33 IonicContact OE2-NE 2.9Å; E31-R33 IonicContact OE2-NH2 3.66Å; E31-R33 PolarHBondContact OE2-NH2 3.13Å; E31-R33 VanDerWaalsContact OE2-NH2 3.16Å; R33-T57 WeakPolarHBondContact CA-O 3.42Å; R33-L59 HydrophobicContact CB-CD1 4.13Å; R33-L59 HydrophobicContact CG-CD1 4.44Å; R33-R71 PolarHBondContact NH1-O 3.13Å; R33-A72 WeakPolarHBondContact CD-O 3.34Å; R33-A72 PolarHBondContact NH1-O 3.08Å; R33-A72 VanDerWaalsContact NH1-O 3.1Å; R33-Q74 PolarHBondContact NH1-O 3.18Å; R33-Q74 PolarHBondContact NH2-O 2.78Å; R33-M76 HydrophobicContact CB-SD 4.28Å; R33-M76 HydrophobicContact CG-CE 4.38Å; R33-M76 HydrophobicContact CG-SD 4Å; R33-M76 VanDerWaalsContact CZ-CE 3.44Å
34A97.4Very high91.5Very high0 Ų076.4 Ų76.40%035%0.351CS..EExtended strand (participates in β ladder)trans-104.4108179.800000108.8A11 V20 F36 L47 T57 L59A11-A34 HydrophobicContact CB-CB 3.63Å; V20-A34 HydrophobicContact CG2-CB 4.16Å; A34-F36 HydrophobicContact CB-CD2 4.29Å; A34-F36 HydrophobicContact CB-CE2 3.47Å; A34-F36 VanDerWaalsContact CB-CE2 3.47Å; A34-F36 HydrophobicContact CB-CZ 4.02Å; A34-F36 WeakPolarHBondContact O-CD2 3.45Å; A34-F36 WeakPolarHBondContact O-CE2 3.13Å; A34-L47 HydrophobicContact CB-CD2 4.36Å; A34-T57 PolarHBondContact N-O 2.89Å; A34-L59 PolarHBondContact O-N 3.41Å
35L97.9Very high90.9Very high3 Ų381 Ų812%0.01637%0.372CS..EExtended strand (participates in β ladder)trans-91116.6-180-177.569.2000111.1L7 V8 T9 G10 A11 L59 I63 L69L7-L35 HydrophobicContact CD1-CB 4.08Å; V8-L35 PolarHBondContact O-N 2.82Å; T9-L35 HydrophobicContact CG2-CB 4.34Å; T9-L35 HydrophobicContact CG2-CD2 3.88Å; G10-L35 PolarHBondContact N-O 3.45Å; A11-L35 PolarHBondContact N-O 3.31Å; A11-L35 VanDerWaalsContact N-O 3.12Å; L35-L59 WeakPolarHBondContact CA-O 3.38Å; L35-L59 HydrophobicContact CD1-CB 3.75Å; L35-I63 HydrophobicContact CD2-CG2 4.19Å; L35-L69 HydrophobicContact CD2-CD2 3.9Å
36F96.1Very high90.6Very high3 Ų377.8 Ų77.81%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-109.3127.9-179.8-63.5-95.1000110.6A11 G12 A34 F39 Q43 L47 A58 L59 K60 G61A11-F36 VanDerWaalsContact C-CE1 3.47Å; A11-F36 HydrophobicContact CB-CD1 4.31Å; A11-F36 HydrophobicContact CB-CD2 4.3Å; A11-F36 HydrophobicContact CB-CE1 4.01Å; A11-F36 HydrophobicContact CB-CE2 4.01Å; A11-F36 HydrophobicContact CB-CG 4.43Å; A11-F36 HydrophobicContact CB-CZ 3.84Å; A11-F36 WeakPolarHBondContact O-CE1 3.32Å; G12-F36 VanDerWaalsContact CA-CD1 3.43Å; G12-F36 VanDerWaalsContact N-CD1 3.31Å; A34-F36 HydrophobicContact CB-CD2 4.29Å; A34-F36 HydrophobicContact CB-CE2 3.47Å; A34-F36 VanDerWaalsContact CB-CE2 3.47Å; A34-F36 HydrophobicContact CB-CZ 4.02Å; A34-F36 WeakPolarHBondContact O-CD2 3.45Å; A34-F36 WeakPolarHBondContact O-CE2 3.13Å; F36-F39 HydrophobicContact CB-CB 3.9Å; F36-F39 HydrophobicContact CB-CD2 4.07Å; F36-F39 HydrophobicContact CB-CG 4.4Å; F36-F39 HydrophobicContact CD1-CD2 4.01Å; F36-F39 AromaticContact CD2-CD2 3.57Å; F36-F39 HydrophobicContact CD2-CD2 3.57Å; F36-F39 AromaticContact CD2-CE2 3.99Å; F36-F39 HydrophobicContact CD2-CE2 3.99Å; F36-F39 HydrophobicContact CD2-CG 4.43Å; F36-F39 HydrophobicContact CE1-CD2 4.35Å; F36-F39 AromaticContact CE2-CD2 3.93Å; F36-F39 HydrophobicContact CE2-CD2 3.93Å; F36-F39 AromaticContact CE2-CE2 3.89Å; F36-F39 HydrophobicContact CE2-CE2 3.89Å; F36-F39 HydrophobicContact CG-CB 4.4Å; F36-F39 AromaticContact CG-CD2 3.63Å; F36-F39 HydrophobicContact CG-CD2 3.63Å; F36-F39 HydrophobicContact CG-CE2 4.41Å; F36-F39 HydrophobicContact CG-CG 4.42Å; F36-F39 HydrophobicContact CZ-CD2 4.32Å; F36-F39 HydrophobicContact CZ-CE2 4.23Å; F36-Q43 HydrophobicContact CD1-CG 4.48Å; F36-Q43 HydrophobicContact CE1-CB 4.27Å; F36-Q43 HydrophobicContact CE1-CG 4.2Å; F36-L47 HydrophobicContact CE2-CD2 4.07Å; F36-L47 HydrophobicContact CZ-CD1 3.92Å; F36-L47 HydrophobicContact CZ-CD2 4.17Å; F36-A58 HydrophobicContact CD2-CB 4.33Å; F36-A58 HydrophobicContact CE2-CB 4.02Å; F36-L59 PolarHBondContact N-O 3.38Å; F36-K60 WeakPolarHBondContact O-CA 3.47Å; F36-G61 PolarHBondContact O-N 3.06Å
37R93.8Very high90.2Very high187 Ų18774.5 Ų74.571%0.70634%0.342SS*.SBendtrans-64.8-46.2168.8-172.7176.566.1144.4-0.8111.2G61R37-G61 WeakPolarHBondContact CA-O 3.37Å
38T88.3Confident89.9Confident101 Ų10170.9 Ų70.962%0.6234%0.336SS*.SBendtrans-119.4126.2172.548.40000108.7
39F84.4Confident89.6Confident51 Ų5172.8 Ų72.822%0.22434%0.343CS..  trans-131.4132.4-178.8-170.9-110.2000109F36 Q43 E44 A58 K60F36-F39 HydrophobicContact CB-CB 3.9Å; F36-F39 HydrophobicContact CB-CD2 4.07Å; F36-F39 HydrophobicContact CB-CG 4.4Å; F36-F39 HydrophobicContact CD1-CD2 4.01Å; F36-F39 AromaticContact CD2-CD2 3.57Å; F36-F39 HydrophobicContact CD2-CD2 3.57Å; F36-F39 AromaticContact CD2-CE2 3.99Å; F36-F39 HydrophobicContact CD2-CE2 3.99Å; F36-F39 HydrophobicContact CD2-CG 4.43Å; F36-F39 HydrophobicContact CE1-CD2 4.35Å; F36-F39 AromaticContact CE2-CD2 3.93Å; F36-F39 HydrophobicContact CE2-CD2 3.93Å; F36-F39 AromaticContact CE2-CE2 3.89Å; F36-F39 HydrophobicContact CE2-CE2 3.89Å; F36-F39 HydrophobicContact CG-CB 4.4Å; F36-F39 AromaticContact CG-CD2 3.63Å; F36-F39 HydrophobicContact CG-CD2 3.63Å; F36-F39 HydrophobicContact CG-CE2 4.41Å; F36-F39 HydrophobicContact CG-CG 4.42Å; F36-F39 HydrophobicContact CZ-CD2 4.32Å; F36-F39 HydrophobicContact CZ-CE2 4.23Å; F39-Q43 HydrophobicContact CD2-CB 3.8Å; F39-Q43 HydrophobicContact CE2-CB 3.63Å; F39-E44 HydrophobicContact CE1-CB 4.03Å; F39-E44 HydrophobicContact CE1-CG 4.38Å; F39-E44 HydrophobicContact CZ-CB 3.66Å; F39-E44 HydrophobicContact CZ-CG 4.18Å; F39-A58 HydrophobicContact CD2-CB 4.29Å; F39-A58 HydrophobicContact CE1-CB 3.98Å; F39-A58 HydrophobicContact CE2-CB 3.52Å; F39-A58 HydrophobicContact CZ-CB 3.34Å; F39-K60 HydrophobicContact CB-CB 4.12Å; F39-K60 HydrophobicContact CB-CD 4.4Å; F39-K60 HydrophobicContact CB-CG 4.19Å
40G82.5Confident89.2Confident29 Ų2974.7 Ų74.730%0.29935%0.353SS..  trans-149.2-179.8-179.500000111.7K42 Q43 E44G40-K42 VanDerWaalsContact C-N 3.27Å; G40-K42 PolarHBondContact O-N 3.38Å; G40-K42 VanDerWaalsContact O-N 3.17Å; G40-Q43 PolarHBondContact O-N 2.67Å; G40-Q43 VanDerWaalsContact O-N 3.08Å; G40-Q43 PolarHBondContact O-OE1 3.05Å; G40-E44 PolarHBondContact O-N 3.46Å; G40-E44 VanDerWaalsContact O-N 3.14Å
41R82.7Confident88.7Confident205 Ų20577.3 Ų77.377%0.77437%0.365SS*.Hα-helixtrans-53.4-40.6-171.6-68.8-174.2-177.7176.71113.7Q43 E44 E45R41-Q43 PolarHBondContact O-N 3.08Å; R41-E44 WeakPolarHBondContact O-CB 3.48Å; R41-E44 PolarHBondContact O-N 3.46Å; R41-E45 WeakPolarHBondContact O-CB 3.26Å; R41-E45 WeakPolarHBondContact O-CG 3.49Å; R41-E45 PolarHBondContact O-N 2.98Å
42K82.9Confident88.3Confident150 Ų15078.2 Ų78.265%0.65237%0.372SS*.Hα-helixtrans-60.5-46.3179.4-175.9178.2178.2178.30112G40 E44 E45 E46G40-K42 VanDerWaalsContact C-N 3.27Å; G40-K42 PolarHBondContact O-N 3.38Å; G40-K42 VanDerWaalsContact O-N 3.17Å; K42-E44 VanDerWaalsContact C-N 3.32Å; K42-E45 PolarHBondContact O-N 3.04Å; K42-E46 VanDerWaalsContact O-CG 3.27Å; K42-E46 WeakPolarHBondContact O-CG 3.5Å; K42-E46 PolarHBondContact O-N 3.1Å
43Q83.3Confident87.8Confident60 Ų6087.4 Ų87.428%0.2841%0.412SS..Hα-helixtrans-67.7-36.7179-67.780.66.900111.3F36 F39 G40 R41 E46 L47F36-Q43 HydrophobicContact CD1-CG 4.48Å; F36-Q43 HydrophobicContact CE1-CB 4.27Å; F36-Q43 HydrophobicContact CE1-CG 4.2Å; F39-Q43 HydrophobicContact CD2-CB 3.8Å; F39-Q43 HydrophobicContact CE2-CB 3.63Å; G40-Q43 PolarHBondContact O-N 2.67Å; G40-Q43 VanDerWaalsContact O-N 3.08Å; G40-Q43 PolarHBondContact O-OE1 3.05Å; R41-Q43 PolarHBondContact O-N 3.08Å; Q43-E46 PolarHBondContact O-N 2.94Å; Q43-L47 WeakPolarHBondContact O-CD1 3.33Å; Q43-L47 PolarHBondContact O-N 3Å
44E82.1Confident87.6Confident116 Ų11685.7 Ų85.754%0.54241%0.408SS..Hα-helixtrans-62.3-46.2175.1-170.9172.7-167.500112.1F39 G40 R41 K42 E46 L47 S48F39-E44 HydrophobicContact CE1-CB 4.03Å; F39-E44 HydrophobicContact CE1-CG 4.38Å; F39-E44 HydrophobicContact CZ-CB 3.66Å; F39-E44 HydrophobicContact CZ-CG 4.18Å; G40-E44 PolarHBondContact O-N 3.46Å; G40-E44 VanDerWaalsContact O-N 3.14Å; R41-E44 WeakPolarHBondContact O-CB 3.48Å; R41-E44 PolarHBondContact O-N 3.46Å; K42-E44 VanDerWaalsContact C-N 3.32Å; E44-E46 VanDerWaalsContact C-N 3.35Å; E44-E46 PolarHBondContact O-N 3.4Å; E44-L47 PolarHBondContact O-N 3.31Å; E44-S48 WeakPolarHBondContact O-CB 3.41Å; E44-S48 PolarHBondContact O-N 3.29Å; E44-S48 PolarHBondContact O-OG 3.35Å
45E84Confident87.4Confident102 Ų10291.9 Ų91.948%0.47743%0.434SS..Hα-helixtrans-62.3-38.6174.1-74.1170.4-159.100112.6R41 K42 S48 K49R41-E45 WeakPolarHBondContact O-CB 3.26Å; R41-E45 WeakPolarHBondContact O-CG 3.49Å; R41-E45 PolarHBondContact O-N 2.98Å; K42-E45 PolarHBondContact O-N 3.04Å; E45-S48 WeakPolarHBondContact CA-OG 3.32Å; E45-S48 PolarHBondContact O-OG 2.86Å; E45-K49 WeakPolarHBondContact O-CD 3.35Å; E45-K49 WeakPolarHBondContact O-CE 3.2Å; E45-K49 VanDerWaalsContact O-CG 3.24Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.43Å
46E86Confident87.3Confident69 Ų6993.6 Ų93.632%0.32245%0.445SS..Hα-helixtrans-70.1-36.7177.7-71.1-64.8110.300112.1R21 K42 Q43 E44 K49R21-E46 IonicContact NH2-OE2 3.86Å; K42-E46 VanDerWaalsContact O-CG 3.27Å; K42-E46 WeakPolarHBondContact O-CG 3.5Å; K42-E46 PolarHBondContact O-N 3.1Å; Q43-E46 PolarHBondContact O-N 2.94Å; E44-E46 VanDerWaalsContact C-N 3.35Å; E44-E46 PolarHBondContact O-N 3.4Å; E46-K49 IonicContact OE1-NZ 3.69Å; E46-K49 PolarHBondContact OE1-NZ 2.75Å
47L85.2Confident87.2Confident31 Ų3195.1 Ų95.116%0.16246%0.455CS..Hα-helixtrans-70.8-37.2175.6-97.769.2000111.9A34 F36 Q43 E44 K49 L50 V56 A58A34-L47 HydrophobicContact CB-CD2 4.36Å; F36-L47 HydrophobicContact CE2-CD2 4.07Å; F36-L47 HydrophobicContact CZ-CD1 3.92Å; F36-L47 HydrophobicContact CZ-CD2 4.17Å; Q43-L47 WeakPolarHBondContact O-CD1 3.33Å; Q43-L47 PolarHBondContact O-N 3Å; E44-L47 PolarHBondContact O-N 3.31Å; L47-K49 VanDerWaalsContact C-N 3.25Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-L50 HydrophobicContact CG-CD1 4.18Å; L47-L50 WeakPolarHBondContact O-CB 3.45Å; L47-L50 WeakPolarHBondContact O-CG 3.35Å; L47-L50 PolarHBondContact O-N 3.27Å; L47-V56 HydrophobicContact CD2-CG1 3.82Å; L47-V56 HydrophobicContact CG-CG1 4.14Å; L47-A58 HydrophobicContact CD2-CB 3.84Å
48S83.8Confident87.2Confident95 Ų9588 Ų8866%0.66444%0.435SS*.Hα-helixtrans-69.5-22-179.868.70000113.6E44 E45 L50E44-S48 WeakPolarHBondContact O-CB 3.41Å; E44-S48 PolarHBondContact O-N 3.29Å; E44-S48 PolarHBondContact O-OG 3.35Å; E45-S48 WeakPolarHBondContact CA-OG 3.32Å; E45-S48 PolarHBondContact O-OG 2.86Å; S48-L50 VanDerWaalsContact C-N 3.31Å
49K87.3Confident87.5Confident130 Ų13085.3 Ų85.357%0.56542%0.417SS*.THydrogen-bonded Turntrans-78.2-11.6173.9-69168.1-161.6168.40113.7E45 E46 L47 Q51E45-K49 WeakPolarHBondContact O-CD 3.35Å; E45-K49 WeakPolarHBondContact O-CE 3.2Å; E45-K49 VanDerWaalsContact O-CG 3.24Å; E45-K49 WeakPolarHBondContact O-CG 3.48Å; E45-K49 PolarHBondContact O-N 3.43Å; E46-K49 IonicContact OE1-NZ 3.69Å; E46-K49 PolarHBondContact OE1-NZ 2.75Å; L47-K49 VanDerWaalsContact C-N 3.25Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-Q51 PolarHBondContact O-N 3.1Å
50L87.4Confident88.1Confident43 Ų4390.3 Ų90.323%0.22544%0.439CS..  trans-69.8114-178.6-61.7172.8000109.6V20 R21 V24 L47 S48 T52V20-L50 HydrophobicContact CG1-CD1 4.27Å; R21-L50 HydrophobicContact CG-CD2 4.35Å; V24-L50 HydrophobicContact CG1-CB 4.28Å; V24-L50 HydrophobicContact CG1-CD1 3.92Å; V24-L50 HydrophobicContact CG2-CD2 4.39Å; L47-L50 HydrophobicContact CG-CD1 4.18Å; L47-L50 WeakPolarHBondContact O-CB 3.45Å; L47-L50 WeakPolarHBondContact O-CG 3.35Å; L47-L50 PolarHBondContact O-N 3.27Å; S48-L50 VanDerWaalsContact C-N 3.31Å; L50-T52 PolarHBondContact O-N 2.9Å
51Q85.8Confident88.7Confident178 Ų17889.7 Ų89.783%0.83243%0.432SS*.  trans-79.1110.7171.6-67-179-7.900108.8K49K49-Q51 PolarHBondContact O-N 3.1Å
52T87.7Confident89.4Confident47 Ų4782.8 Ų82.829%0.28841%0.411SS..  trans-155.8154.3180-175.50000112V24 L50 A54 V56V24-T52 HydrophobicContact CB-CG2 4.19Å; V24-T52 HydrophobicContact CG1-CG2 3.96Å; V24-T52 WeakPolarHBondContact O-CB 3.34Å; V24-T52 PolarHBondContact O-OG1 3.05Å; L50-T52 PolarHBondContact O-N 2.9Å; T52-A54 HydrophobicContact CG2-CB 4.48Å; T52-A54 VanDerWaalsContact CG2-O 3.26Å; T52-A54 WeakPolarHBondContact CG2-O 3.38Å; T52-A54 PolarHBondContact OG1-N 3.16Å; T52-A54 VanDerWaalsContact OG1-N 3.08Å; T52-V56 HydrophobicContact CG2-CG2 3.69Å
53K87.7Confident90.1Very high193 Ų19376.1 Ų76.184%0.83938%0.382SS*.SBendtrans-81.3-20.6169.3-64.7178.9-177.8169.90111.7
54A92.8Very high90.8Very high7 Ų776.5 Ų76.56%0.05839%0.386CS..SBendtrans-73.9141.4178.300000110.8L29 T52 V56L29-A54 HydrophobicContact CG-CB 4.45Å; L29-A54 WeakPolarHBondContact O-CB 3.47Å; T52-A54 HydrophobicContact CG2-CB 4.48Å; T52-A54 VanDerWaalsContact CG2-O 3.26Å; T52-A54 WeakPolarHBondContact CG2-O 3.38Å; T52-A54 PolarHBondContact OG1-N 3.16Å; T52-A54 VanDerWaalsContact OG1-N 3.08Å; A54-V56 PolarHBondContact O-N 3.43Å
55K94.3Very high91.6Very high129 Ų12974.2 Ų74.256%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-70.1116.8169.3-180-174.1175.1-165.50109.4Q30 E31 I32Q30-K55 PolarHBondContact O-N 3.13Å; E31-K55 CarbonylContact C-O 3.36Å; E31-K55 VanDerWaalsContact CA-O 3.28Å; E31-K55 WeakPolarHBondContact CA-O 3.4Å; E31-K55 HydrophobicContact CB-CB 4.48Å; E31-K55 HydrophobicContact CG-CB 4.34Å; E31-K55 HydrophobicContact CG-CD 4.39Å; E31-K55 IonicContact OE1-NZ 3.48Å; I32-K55 PolarHBondContact N-O 2.89Å
56V94.8Very high92.3Very high40 Ų4071.1 Ų71.124%0.24237%0.369CS..EExtended strand (participates in β ladder)trans-99.3119.3174.7-171.60000109.8V24 I32 L47 T52 A54V24-V56 HydrophobicContact CG1-CG2 3.88Å; I32-V56 HydrophobicContact CD1-CG2 4.31Å; L47-V56 HydrophobicContact CD2-CG1 3.82Å; L47-V56 HydrophobicContact CG-CG1 4.14Å; T52-V56 HydrophobicContact CG2-CG2 3.69Å; A54-V56 PolarHBondContact O-N 3.43Å
57T94Very high92.8Very high35 Ų3573.1 Ų73.122%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-116.9119.2178.6-550000109.9I32 R33 A34 L59I32-T57 PolarHBondContact O-N 2.77Å; R33-T57 WeakPolarHBondContact CA-O 3.42Å; A34-T57 PolarHBondContact N-O 2.89Å; T57-L59 HydrophobicContact CG2-CD2 3.89Å; T57-L59 HydrophobicContact CG2-CG 4.42Å
58A94.5Very high93.4Very high36 Ų3672.1 Ų72.130%0.29837%0.374SS..EExtended strand (participates in β ladder)trans-83.2127.7169.900000110.3F36 F39 L47F36-A58 HydrophobicContact CD2-CB 4.33Å; F36-A58 HydrophobicContact CE2-CB 4.02Å; F39-A58 HydrophobicContact CD2-CB 4.29Å; F39-A58 HydrophobicContact CE1-CB 3.98Å; F39-A58 HydrophobicContact CE2-CB 3.52Å; F39-A58 HydrophobicContact CZ-CB 3.34Å; L47-A58 HydrophobicContact CD2-CB 3.84Å
59L94.9Very high94.1Very high46 Ų4667.6 Ų67.624%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-113.6131.6174.1-60-179.8000109R33 A34 L35 F36 T57 A72R33-L59 HydrophobicContact CB-CD1 4.13Å; R33-L59 HydrophobicContact CG-CD1 4.44Å; A34-L59 PolarHBondContact O-N 3.41Å; L35-L59 WeakPolarHBondContact CA-O 3.38Å; L35-L59 HydrophobicContact CD1-CB 3.75Å; F36-L59 PolarHBondContact N-O 3.38Å; T57-L59 HydrophobicContact CG2-CD2 3.89Å; T57-L59 HydrophobicContact CG2-CG 4.42Å; L59-A72 HydrophobicContact CD1-CB 3.83Å
60K95.7Very high94.6Very high156 Ų15664 Ų6468%0.67833%0.327SS*.EExtended strand (participates in β ladder)trans-96.1125.3168-174.6-178.6175.9-178.20109.1F36 F39F36-K60 WeakPolarHBondContact O-CA 3.47Å; F39-K60 HydrophobicContact CB-CB 4.12Å; F39-K60 HydrophobicContact CB-CD 4.4Å; F39-K60 HydrophobicContact CB-CG 4.19Å
61G95.9Very high95.1Very high16 Ų1668.5 Ų68.517%0.16534%0.34CS..  trans176.4169.1178.100000114F36 R37F36-G61 PolarHBondContact O-N 3.06Å; R37-G61 WeakPolarHBondContact CA-O 3.37Å
62D97.1Very high95.7Very high59 Ų5960 Ų6032%0.31630%0.301SS..  trans-107.3143.5180-158.2-55.6000110.2L64 D65D62-L64 PolarHBondContact O-N 2.72Å; D62-L64 WeakPolarHBondContact OD1-CB 3.36Å; D62-L64 WeakPolarHBondContact OD1-CG 3.38Å; D62-L64 PolarHBondContact OD1-N 2.8Å; D62-D65 PolarHBondContact O-N 2.8Å
63I98.3Very high96.3Very high11 Ų1157.8 Ų57.86%0.05629%0.288CS..THydrogen-bonded Turntrans-71.8-8.6174.963.7172.2000112.6L35 D65 L69 A83 V100L35-I63 HydrophobicContact CD2-CG2 4.19Å; I63-D65 VanDerWaalsContact C-N 3.35Å; I63-L69 HydrophobicContact CB-CD2 4.44Å; I63-L69 HydrophobicContact CG2-CD2 4.3Å; I63-L69 VanDerWaalsContact O-CD1 3.27Å; I63-L69 WeakPolarHBondContact O-CD1 3.39Å; I63-A83 HydrophobicContact CD1-CB 3.98Å; I63-A83 HydrophobicContact CG2-CB 4Å; I63-V100 HydrophobicContact CD1-CG1 3.89Å; I63-V100 VanDerWaalsContact CD1-O 3.27Å; I63-V100 WeakPolarHBondContact CD1-O 3.38Å
64L98.3Very high96.7Very high68 Ų6854 Ų5436%0.35627%0.273SS..THydrogen-bonded Turntrans-85.2-7.9169.2-60.9-179.5000113.1D62 D99 V100D62-L64 PolarHBondContact O-N 2.72Å; D62-L64 WeakPolarHBondContact OD1-CB 3.36Å; D62-L64 WeakPolarHBondContact OD1-CG 3.38Å; D62-L64 PolarHBondContact OD1-N 2.8Å; L64-D99 HydrophobicContact CD1-CB 4.35Å; L64-D99 HydrophobicContact CD2-CB 4.37Å; L64-D99 VanDerWaalsContact CD2-O 3.28Å; L64-D99 WeakPolarHBondContact CD2-O 3.34Å; L64-V100 HydrophobicContact CD1-CG2 4.37Å
65D98.4Very high96.9Very high68 Ų6856.6 Ų56.636%0.36430%0.3SS..  trans-94.799.2174.9177.9-6.1000110.5D62 I63 Q67 C68 L69D62-D65 PolarHBondContact O-N 2.8Å; I63-D65 VanDerWaalsContact C-N 3.35Å; D65-Q67 PolarHBondContact O-N 2.8Å; D65-Q67 WeakPolarHBondContact OD1-CA 3.33Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.46Å; D65-Q67 PolarHBondContact OD1-N 2.88Å; D65-C68 HydrophobicContact CB-CB 3.74Å; D65-C68 VanDerWaalsContact CG-CB 3.46Å; D65-C68 WeakPolarHBondContact O-CB 3.28Å; D65-C68 PolarHBondContact O-N 2.8Å; D65-C68 VanDerWaalsContact O-N 3.12Å; D65-C68 PolarHBondContact OD1-N 2.82Å; D65-C68 WeakPolarHBondContact OD2-CB 3.31Å; D65-L69 WeakPolarHBondContact O-CG 3.43Å; D65-L69 PolarHBondContact O-N 3.48Å
66A98.1Very high97.1Very high37 Ų3750.8 Ų50.831%0.30628%0.275SS..Hα-helixtrans-57-34.9179.100000113.2L69 K70 L107A66-L69 PolarHBondContact O-N 2.9Å; A66-K70 VanDerWaalsContact O-CG 3.27Å; A66-K70 WeakPolarHBondContact O-CG 3Å; A66-K70 PolarHBondContact O-N 2.84Å; A66-L107 HydrophobicContact CB-CD2 4.28Å
67Q97.8Very high97.3Very high111 Ų11150.8 Ų50.852%0.51928%0.277SS..Hα-helixtrans-73-37.9179.4-66.2-62.6-25.300111.2D65 L69 R71D65-Q67 PolarHBondContact O-N 2.8Å; D65-Q67 WeakPolarHBondContact OD1-CA 3.33Å; D65-Q67 WeakPolarHBondContact OD1-CB 3.46Å; D65-Q67 PolarHBondContact OD1-N 2.88Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; Q67-R71 WeakPolarHBondContact O-CG 3.49Å; Q67-R71 PolarHBondContact O-N 2.99Å; Q67-R71 PolarHBondContact O-NH1 3.44Å
68C97.8Very high97.5Very high9 Ų949.5 Ų49.56%0.06127%0.27CS..Hα-helixtrans-57.9-48.7170-1790000111D65 K70 R71 A72D65-C68 HydrophobicContact CB-CB 3.74Å; D65-C68 VanDerWaalsContact CG-CB 3.46Å; D65-C68 WeakPolarHBondContact O-CB 3.28Å; D65-C68 PolarHBondContact O-N 2.8Å; D65-C68 VanDerWaalsContact O-N 3.12Å; D65-C68 PolarHBondContact OD1-N 2.82Å; D65-C68 WeakPolarHBondContact OD2-CB 3.31Å; C68-K70 PolarHBondContact O-N 2.86Å; C68-R71 PolarHBondContact O-N 3.25Å; C68-A72 WeakPolarHBondContact O-CB 3.26Å; C68-A72 PolarHBondContact O-N 3.36Å
69L98.7Very high97.7Very high0 Ų047.8 Ų47.80%026%0.256CS..Hα-helixtrans-63.5-41.7-178.8-66-171.9000113L35 I63 D65 A66 Q67 R71 A72 C73 L107 L108 A111L35-L69 HydrophobicContact CD2-CD2 3.9Å; I63-L69 HydrophobicContact CB-CD2 4.44Å; I63-L69 HydrophobicContact CG2-CD2 4.3Å; I63-L69 VanDerWaalsContact O-CD1 3.27Å; I63-L69 WeakPolarHBondContact O-CD1 3.39Å; D65-L69 WeakPolarHBondContact O-CG 3.43Å; D65-L69 PolarHBondContact O-N 3.48Å; A66-L69 PolarHBondContact O-N 2.9Å; Q67-L69 VanDerWaalsContact C-N 3.34Å; L69-R71 PolarHBondContact O-N 3.16Å; L69-A72 PolarHBondContact O-N 2.82Å; L69-C73 WeakPolarHBondContact O-CB 3.35Å; L69-C73 PolarHBondContact O-N 3.28Å; L69-C73 PolarHBondContact O-SG 3.24Å; L69-L107 HydrophobicContact CD1-CB 3.8Å; L69-L108 HydrophobicContact CB-CD1 4.37Å; L69-L108 HydrophobicContact CD1-CB 3.98Å; L69-L108 HydrophobicContact CD1-CD1 4.09Å; L69-L108 HydrophobicContact CD2-CD1 3.69Å; L69-L108 HydrophobicContact CG-CD1 4.26Å; L69-A111 HydrophobicContact CB-CB 3.84Å
70K97.9Very high97.9Very high56 Ų5646.8 Ų46.824%0.24325%0.25CS..Hα-helixtrans-55.8-49.5173.9-74.6176.2-167.4-139.50111.5A66 C68 A72 C73 Q74 E114A66-K70 VanDerWaalsContact O-CG 3.27Å; A66-K70 WeakPolarHBondContact O-CG 3Å; A66-K70 PolarHBondContact O-N 2.84Å; C68-K70 PolarHBondContact O-N 2.86Å; K70-A72 PolarHBondContact O-N 2.74Å; K70-C73 PolarHBondContact O-N 3.37Å; K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.36Å; K70-E114 WeakPolarHBondContact CD-OE2 3.4Å; K70-E114 WeakPolarHBondContact CE-OE1 3.35Å; K70-E114 WeakPolarHBondContact CE-OE2 3.37Å; K70-E114 IonicContact NZ-OE1 3.32Å; K70-E114 PolarHBondContact NZ-OE1 2.95Å; K70-E114 IonicContact NZ-OE2 3.62Å; K70-E114 PolarHBondContact NZ-OE2 3.42Å
71R97.8Very high98.1Very high136 Ų13639.4 Ų39.451%0.51322%0.218SC..Hα-helixtrans-63.5-40.6177-67.9-170.8-57.5-84.91.8112.2R33 Q67 C68 L69 C73R33-R71 PolarHBondContact NH1-O 3.13Å; Q67-R71 WeakPolarHBondContact O-CG 3.49Å; Q67-R71 PolarHBondContact O-N 2.99Å; Q67-R71 PolarHBondContact O-NH1 3.44Å; C68-R71 PolarHBondContact O-N 3.25Å; L69-R71 PolarHBondContact O-N 3.16Å; R71-C73 VanDerWaalsContact C-N 3.35Å; R71-C73 PolarHBondContact O-N 2.9Å
72A98.3Very high98.2Very high1 Ų139.8 Ų39.81%0.00822%0.217CC..Hα-helixtrans-63.2-41-179.500000111.9L7 R33 L59 C68 L69 K70 M76L7-A72 HydrophobicContact CD1-CB 4.05Å; L7-A72 HydrophobicContact CD2-CB 3.67Å; R33-A72 WeakPolarHBondContact CD-O 3.34Å; R33-A72 PolarHBondContact NH1-O 3.08Å; R33-A72 VanDerWaalsContact NH1-O 3.1Å; L59-A72 HydrophobicContact CD1-CB 3.83Å; C68-A72 WeakPolarHBondContact O-CB 3.26Å; C68-A72 PolarHBondContact O-N 3.36Å; L69-A72 PolarHBondContact O-N 2.82Å; K70-A72 PolarHBondContact O-N 2.74Å; A72-M76 WeakPolarHBondContact O-CG 3.47Å
73C98.6Very high98.2Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-78.4-19.5-176.4-62.70000114.4L69 K70 R71 G75 M76 A111 A115 V117L69-C73 WeakPolarHBondContact O-CB 3.35Å; L69-C73 PolarHBondContact O-N 3.28Å; L69-C73 PolarHBondContact O-SG 3.24Å; K70-C73 PolarHBondContact O-N 3.37Å; R71-C73 VanDerWaalsContact C-N 3.35Å; R71-C73 PolarHBondContact O-N 2.9Å; C73-G75 PolarHBondContact O-N 3.41Å; C73-M76 WeakPolarHBondContact O-CB 3.38Å; C73-M76 WeakPolarHBondContact O-CG 3.27Å; C73-M76 PolarHBondContact O-N 2.91Å; C73-A111 HydrophobicContact CB-CB 4.48Å; C73-A115 HydrophobicContact CB-CB 3.72Å; C73-V117 HydrophobicContact CB-CG2 3.97Å; C73-V117 WeakPolarHBondContact O-CG2 3.09Å
74Q97.8Very high98.1Very high114 Ų11438.9 Ų38.953%0.53322%0.22SC..THydrogen-bonded Turntrans-56120-176.6-83.4167-5.100113R33 K70 M76R33-Q74 PolarHBondContact NH1-O 3.18Å; R33-Q74 PolarHBondContact NH2-O 2.78Å; K70-Q74 WeakPolarHBondContact O-CG 3.46Å; K70-Q74 PolarHBondContact O-N 3.36Å; Q74-M76 PolarHBondContact O-N 2.95Å
75G96.8Very high98Very high61 Ų6136.7 Ų36.763%0.62921%0.211SC*.THydrogen-bonded Turntrans73.512.4178.400000114.4S5 C73S5-G75 PolarHBondContact OG-O 2.96Å; C73-G75 PolarHBondContact O-N 3.41Å
76M98.3Very high97.6Very high6 Ų638.9 Ų38.93%0.0322%0.222CC..  trans-83.5140.7175.4-61.9-65.392.700111.2S5 L7 E31 R33 A72 C73 Q74 V117S5-M76 VanDerWaalsContact OG-CA 3.3Å; S5-M76 WeakPolarHBondContact OG-CA 3.43Å; L7-M76 HydrophobicContact CB-CG 3.94Å; L7-M76 HydrophobicContact CB-SD 4.21Å; E31-M76 HydrophobicContact CG-CE 4.42Å; E31-M76 WeakPolarHBondContact OE2-CE 3.42Å; R33-M76 HydrophobicContact CB-SD 4.28Å; R33-M76 HydrophobicContact CG-CE 4.38Å; R33-M76 HydrophobicContact CG-SD 4Å; R33-M76 VanDerWaalsContact CZ-CE 3.44Å; A72-M76 WeakPolarHBondContact O-CG 3.47Å; C73-M76 WeakPolarHBondContact O-CB 3.38Å; C73-M76 WeakPolarHBondContact O-CG 3.27Å; C73-M76 PolarHBondContact O-N 2.91Å; Q74-M76 PolarHBondContact O-N 2.95Å; M76-V117 HydrophobicContact CB-CG2 4.16Å
77S98.3Very high97Very high40 Ų4038.6 Ų38.628%0.2822%0.215SC..SBendtrans-89.3-29175.1-48.40000111.7S5 P118S5-S77 PolarHBondContact N-OG 3.23Å; S5-S77 VanDerWaalsContact N-OG 3.13Å; S5-S77 WeakPolarHBondContact O-CA 3.3Å; S5-S77 VanDerWaalsContact O-CB 3.29Å; S5-S77 WeakPolarHBondContact O-CB 3.48Å; S5-S77 PolarHBondContact O-N 3.15Å; S5-S77 PolarHBondContact OG-N 3.27Å; S5-S77 PolarHBondContact OG-OG 2.92Å; S77-P118 VanDerWaalsContact O-CD 3.23Å; S77-P118 WeakPolarHBondContact O-CD 3.42Å; S77-P118 VanDerWaalsContact O-CG 3.29Å; S77-P118 WeakPolarHBondContact O-CG 3.26Å
78A98.6Very high96.1Very high9 Ų938.9 Ų38.97%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-144.6151.4178.500000112.3W4 S5 C6 L7 T119W4-A78 HydrophobicContact CE3-CB 4.47Å; W4-A78 HydrophobicContact CZ3-CB 4.27Å; S5-A78 PolarHBondContact O-N 2.96Å; C6-A78 WeakPolarHBondContact CA-O 3.41Å; L7-A78 PolarHBondContact N-O 3.22Å; A78-T119 CarbonylContact C-O 3.6Å; A78-T119 WeakPolarHBondContact CA-O 3.27Å; A78-T119 HydrophobicContact CB-CG2 4.21Å
79V98.9Very high95.4Very high0 Ų046.1 Ų46.10%026%0.264CS..EExtended strand (participates in β ladder)trans-120.3126.5169.61690000109.3L7 L108 V117 T119 F120 I121L7-V79 HydrophobicContact CB-CG2 4.03Å; L7-V79 HydrophobicContact CD2-CG2 4.03Å; L7-V79 HydrophobicContact CG-CG2 4.36Å; L7-V79 CarbonylContact O-C 3.55Å; L7-V79 WeakPolarHBondContact O-CA 3.4Å; V79-L108 HydrophobicContact CG1-CD2 3.76Å; V79-L108 HydrophobicContact CG1-CG 4.22Å; V79-V117 HydrophobicContact CG2-CG1 4.02Å; V79-T119 PolarHBondContact N-O 3.4Å; V79-F120 HydrophobicContact CB-CD2 4.02Å; V79-F120 HydrophobicContact CG1-CD2 3.83Å; V79-F120 HydrophobicContact CG1-CE2 3.85Å; V79-I121 PolarHBondContact O-N 2.97Å
80I98.9Very high94.7Very high24 Ų2449 Ų4912%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-108.3110.4169.2-57.4175.3000107.9L7 V8 T9 I19 L23 T82 I121L7-I80 PolarHBondContact O-N 3.36Å; V8-I80 WeakPolarHBondContact CA-O 3.34Å; V8-I80 HydrophobicContact CG2-CB 4.47Å; T9-I80 PolarHBondContact N-O 3Å; I19-I80 HydrophobicContact CD1-CG2 3.86Å; I19-I80 HydrophobicContact CG2-CD1 3.88Å; I19-I80 HydrophobicContact CG2-CG2 4.45Å; L23-I80 HydrophobicContact CD1-CD1 4.36Å; I80-T82 HydrophobicContact CG2-CG2 3.95Å; I80-I121 HydrophobicContact CG1-CB 4.45Å; I80-I121 HydrophobicContact CG1-CD1 4.35Å
81H98.8Very high94.2Very high1 Ų150.9 Ų50.91%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-98.897.9-174.6-176.236.8000111.7T9 A83 T105 L108 F120 I121 Y122 S123T9-H81 WeakPolarHBondContact OG1-CA 3.36Å; T9-H81 PolarHBondContact OG1-ND1 3.12Å; H81-A83 PolarHBondContact CE1-O 3.47Å; H81-T105 PolarHBondContact CD2-OG1 2.75Å; H81-T105 PolarHBondContact NE2-OG1 3.28Å; H81-L108 HydrophobicContact CB-CD2 3.87Å; H81-F120 HydrophobicContact CB-CE1 4.16Å; H81-F120 HydrophobicContact CB-CE2 4.4Å; H81-F120 HydrophobicContact CB-CZ 3.77Å; H81-F120 AromaticContact CD2-CZ 3.87Å; H81-I121 PolarHBondContact N-O 3.48Å; H81-Y122 HydrophobicContact CB-CD2 4.37Å; H81-Y122 AromaticContact CD2-CD2 3.49Å; H81-Y122 VanDerWaalsContact CD2-CD2 3.49Å; H81-Y122 WeakPolarHBondContact CD2-CD2 3.39Å; H81-Y122 AromaticContact CD2-CE2 3.6Å; H81-S123 WeakPolarHBondContact O-CB 3.49Å; H81-S123 PolarHBondContact O-N 2.82Å; H81-S123 PolarHBondContact O-OG 3.11Å
82T98.1Very high93.9Very high24 Ų2446.1 Ų46.115%0.14731%0.31CS..  trans-110.8-1.9175.787.20000113.3T9 L15 I19 I80 A84T9-T82 CarbonylContact O-C 3.58Å; T9-T82 PolarHBondContact O-N 3.2Å; T9-T82 VanDerWaalsContact O-N 3.12Å; T9-T82 PolarHBondContact O-OG1 2.98Å; L15-T82 HydrophobicContact CD2-CG2 4.09Å; L15-T82 HydrophobicContact CG-CG2 4.27Å; I19-T82 HydrophobicContact CD1-CG2 3.72Å; I80-T82 HydrophobicContact CG2-CG2 3.95Å; T82-A84 PolarHBondContact O-N 3.2Å
83A97.7Very high93.7Very high16 Ų1649 Ų4913%0.13233%0.33CS..  trans-67.6127.1177.100000110.4T9 I63 H81T9-A83 PolarHBondContact O-N 2.96Å; I63-A83 HydrophobicContact CD1-CB 3.98Å; I63-A83 HydrophobicContact CG2-CB 4Å; H81-A83 PolarHBondContact CE1-O 3.47Å
84A96.5Very high93.5Very high35 Ų3554.1 Ų54.129%0.28935%0.349SS..  trans-154.7149.2175.100000110.4T82 I86 N101T82-A84 PolarHBondContact O-N 3.2Å; A84-I86 HydrophobicContact CB-CG1 4.2Å; A84-N101 WeakPolarHBondContact CA-OD1 3.38Å; A84-N101 WeakPolarHBondContact CB-OD1 3.46Å
85A95.3Very high93.4Very high22 Ų2254 Ų5418%0.18235%0.348CS..  trans-83.1113.6159.300000108.3V100 N101 Y155A85-V100 HydrophobicContact CB-CB 3.81Å; A85-V100 HydrophobicContact CB-CG1 3.81Å; A85-V100 HydrophobicContact CB-CG2 4.17Å; A85-N101 PolarHBondContact N-OD1 3.12Å; A85-N101 PolarHBondContact O-ND2 3.5Å; A85-Y155 VanDerWaalsContact O-CD2 3.32Å; A85-Y155 WeakPolarHBondContact O-CD2 3.42Å
86I89.9Confident93.4Very high114 Ų11454.1 Ų54.159%0.58534%0.337SS*.  trans-116.8119.3173.1-50.3178.7000106.1A84 Y155A84-I86 HydrophobicContact CB-CG1 4.2Å; I86-Y155 HydrophobicContact CB-CE2 4.38Å; I86-Y155 HydrophobicContact CD1-CE2 4.46Å; I86-Y155 HydrophobicContact CG1-CD2 4.37Å; I86-Y155 HydrophobicContact CG1-CE2 3.67Å; I86-Y155 HydrophobicContact CG2-CE2 4.49Å
87D86.4Confident93.3Very high32 Ų3254 Ų5417%0.17134%0.336CS..  trans-135.888-177.9177.230000110.6L89 G90 A91 A92 I97D87-L89 PolarHBondContact O-N 3.45Å; D87-L89 PolarHBondContact OD1-N 2.89Å; D87-G90 PolarHBondContact OD1-N 3.27Å; D87-G90 WeakPolarHBondContact OD2-CA 3.33Å; D87-G90 PolarHBondContact OD2-N 3.49Å; D87-A91 PolarHBondContact OD2-N 3.46Å; D87-A92 HydrophobicContact CB-CB 4.09Å; D87-A92 WeakPolarHBondContact OD2-CB 3.5Å; D87-A92 PolarHBondContact OD2-N 3.19Å; D87-I97 HydrophobicContact CB-CD1 4.44Å
88P79Confident93.2Very high117 Ų11753.4 Ų53.476%0.7633%0.33SS*.THydrogen-bonded Turntrans-71.8-17.6179.929.8-33.8000112.7
89L83.8Confident93.2Very high160 Ų16055.2 Ų55.284%0.83834%0.338SS*.THydrogen-bonded Turntrans-91.8-9.2-177.7-60.5-179.4000113D87 A91D87-L89 PolarHBondContact O-N 3.45Å; D87-L89 PolarHBondContact OD1-N 2.89Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.27Å
90G82.8Confident93.2Very high60 Ų6056.3 Ų56.362%0.61935%0.345SS*.  trans70.623.8176.900000114.5D87D87-G90 PolarHBondContact OD1-N 3.27Å; D87-G90 WeakPolarHBondContact OD2-CA 3.33Å; D87-G90 PolarHBondContact OD2-N 3.49Å
91A88Confident93.1Very high97 Ų9755.2 Ų55.280%0.80234%0.34SS*.  trans-73.1-27.9174.900000113.4D87 L89D87-A91 PolarHBondContact OD2-N 3.46Å; L89-A91 VanDerWaalsContact C-N 3.32Å; L89-A91 PolarHBondContact O-N 3.27Å
92A91.3Very high93.1Very high36 Ų3656.7 Ų56.730%0.29835%0.347SS..SBendtrans-87.4140178.900000110.9D87 I97D87-A92 HydrophobicContact CB-CB 4.09Å; D87-A92 WeakPolarHBondContact OD2-CB 3.5Å; D87-A92 PolarHBondContact OD2-N 3.19Å; A92-I97 HydrophobicContact CB-CD1 4.38Å; A92-I97 HydrophobicContact CB-CG1 4.23Å
93S94.1Very high93.1Very high61 Ų6160.8 Ų60.843%0.42736%0.363SS..  trans-64.3152.5175.181.20000111.3Q95 T96 I97S93-Q95 PolarHBondContact O-N 3.39Å; S93-Q95 PolarHBondContact OG-N 2.97Å; S93-T96 WeakPolarHBondContact O-CB 3.43Å; S93-T96 PolarHBondContact O-N 3.5Å; S93-T96 VanDerWaalsContact O-N 3.11Å; S93-T96 PolarHBondContact OG-N 3.31Å; S93-T96 PolarHBondContact OG-OG1 3.44Å; S93-I97 PolarHBondContact O-N 3.11Å
94R94Very high93.2Very high108 Ų10860 Ų6041%0.40836%0.357SS..Hα-helixtrans-51.2-41.9170.5171.6170.9-171.597.71.2111.7I97 L98 P154R94-I97 PolarHBondContact O-N 2.86Å; R94-L98 HydrophobicContact CG-CD1 3.97Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CG 3.42Å; R94-L98 PolarHBondContact O-N 3.34Å; R94-P154 HydrophobicContact CB-CB 4.13Å; R94-P154 HydrophobicContact CG-CB 3.93Å
95Q96.1Very high93.3Very high110 Ų11058.3 Ų58.351%0.51434%0.343SS..Hα-helixtrans-64.9-42.8-179.4-170.358.94500111.5S93 I97 L98 D99S93-Q95 PolarHBondContact O-N 3.39Å; S93-Q95 PolarHBondContact OG-N 2.97Å; Q95-I97 VanDerWaalsContact C-N 3.29Å; Q95-I97 PolarHBondContact O-N 3.43Å; Q95-L98 PolarHBondContact O-N 3.07Å; Q95-D99 PolarHBondContact NE2-OD1 3.03Å; Q95-D99 WeakPolarHBondContact O-CB 3.4Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.65Å
96T96.2Very high93.5Very high65 Ų6561.2 Ų61.240%0.39935%0.353SS..Hα-helixtrans-58.4-42.2176.5-55.70000111.8S93 D99 V100S93-T96 WeakPolarHBondContact O-CB 3.43Å; S93-T96 PolarHBondContact O-N 3.5Å; S93-T96 VanDerWaalsContact O-N 3.11Å; S93-T96 PolarHBondContact OG-N 3.31Å; S93-T96 PolarHBondContact OG-OG1 3.44Å; T96-D99 PolarHBondContact O-N 3.11Å; T96-V100 WeakPolarHBondContact O-CG2 3.37Å; T96-V100 PolarHBondContact O-N 3.12Å; T96-V100 VanDerWaalsContact O-N 3.08Å
97I96.6Very high93.9Very high3 Ų357.6 Ų57.62%0.01533%0.334CS..Hα-helixtrans-66.4-43178.2-66.3169.3000110.7D87 A92 S93 R94 Q95 N101 P154D87-I97 HydrophobicContact CB-CD1 4.44Å; A92-I97 HydrophobicContact CB-CD1 4.38Å; A92-I97 HydrophobicContact CB-CG1 4.23Å; S93-I97 PolarHBondContact O-N 3.11Å; R94-I97 PolarHBondContact O-N 2.86Å; Q95-I97 VanDerWaalsContact C-N 3.29Å; Q95-I97 PolarHBondContact O-N 3.43Å; I97-N101 VanDerWaalsContact O-CB 3.23Å; I97-N101 WeakPolarHBondContact O-CB 3.05Å; I97-N101 PolarHBondContact O-N 3.32Å; I97-P154 HydrophobicContact CB-CB 4.3Å; I97-P154 HydrophobicContact CD1-CB 4.02Å; I97-P154 HydrophobicContact CD1-CG 3.47Å; I97-P154 VanDerWaalsContact CD1-CG 3.47Å; I97-P154 HydrophobicContact CG2-CB 4.21Å
98L97.1Very high94.5Very high27 Ų2756 Ų5614%0.14133%0.326CS..Hα-helixtrans-64.7-43.5176-73.8173.6000112.5R94 Q95 L102 K103 Y157R94-L98 HydrophobicContact CG-CD1 3.97Å; R94-L98 HydrophobicContact CG-CG 4.49Å; R94-L98 WeakPolarHBondContact O-CG 3.42Å; R94-L98 PolarHBondContact O-N 3.34Å; Q95-L98 PolarHBondContact O-N 3.07Å; L98-L102 WeakPolarHBondContact O-CA 3.5Å; L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 2.77Å; L98-K103 PolarHBondContact O-N 2.84Å; L98-Y157 HydrophobicContact CD2-CD1 3.76Å; L98-Y157 HydrophobicContact CD2-CE1 3.85Å
99D98.2Very high95.4Very high47 Ų4750.9 Ų50.925%0.25129%0.292SS..Iπ-helixtrans-59.2-53.4178.7-72.2-22.6000109.7L64 Q95 T96 K103 G104L64-D99 HydrophobicContact CD1-CB 4.35Å; L64-D99 HydrophobicContact CD2-CB 4.37Å; L64-D99 VanDerWaalsContact CD2-O 3.28Å; L64-D99 WeakPolarHBondContact CD2-O 3.34Å; Q95-D99 PolarHBondContact NE2-OD1 3.03Å; Q95-D99 WeakPolarHBondContact O-CB 3.4Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.65Å; T96-D99 PolarHBondContact O-N 3.11Å; D99-K103 CarbonylContact O-C 3.53Å; D99-K103 WeakPolarHBondContact O-CA 3.38Å; D99-K103 VanDerWaalsContact O-CB 3.28Å; D99-K103 WeakPolarHBondContact O-CB 3.48Å; D99-K103 PolarHBondContact O-N 2.8Å; D99-G104 PolarHBondContact O-N 3.02Å
100V98Very high96.2Very high24 Ų2447.8 Ų47.815%0.14528%0.276CS..Iπ-helixtrans-65.3-50.8-178.1177.40000111.3I63 L64 A85 T96 G104I63-V100 HydrophobicContact CD1-CG1 3.89Å; I63-V100 VanDerWaalsContact CD1-O 3.27Å; I63-V100 WeakPolarHBondContact CD1-O 3.38Å; L64-V100 HydrophobicContact CD1-CG2 4.37Å; A85-V100 HydrophobicContact CB-CB 3.81Å; A85-V100 HydrophobicContact CB-CG1 3.81Å; A85-V100 HydrophobicContact CB-CG2 4.17Å; T96-V100 WeakPolarHBondContact O-CG2 3.37Å; T96-V100 PolarHBondContact O-N 3.12Å; T96-V100 VanDerWaalsContact O-N 3.08Å; V100-G104 WeakPolarHBondContact O-CA 3.44Å
101N98.3Very high96.9Very high1 Ų145 Ų451%0.00525%0.247CC..Iπ-helixtrans-85.1-27-167.6-65.6-11000114.5A84 A85 I97 T105 Y155 S158 A162A84-N101 WeakPolarHBondContact CA-OD1 3.38Å; A84-N101 WeakPolarHBondContact CB-OD1 3.46Å; A85-N101 PolarHBondContact N-OD1 3.12Å; A85-N101 PolarHBondContact O-ND2 3.5Å; I97-N101 VanDerWaalsContact O-CB 3.23Å; I97-N101 WeakPolarHBondContact O-CB 3.05Å; I97-N101 PolarHBondContact O-N 3.32Å; N101-T105 PolarHBondContact O-OG1 2.84Å; N101-Y155 WeakPolarHBondContact ND2-CD2 3.35Å; N101-S158 VanDerWaalsContact CB-OG 3.31Å; N101-S158 WeakPolarHBondContact CB-OG 3.26Å; N101-S158 PolarHBondContact ND2-OG 3.44Å; N101-A162 WeakPolarHBondContact O-CB 3.24Å
102L98.4Very high97.4Very high32 Ų3240.4 Ų40.417%0.16821%0.209CC..Iπ-helixtrans-104.1-61.4178.617161000110.5L98 G104 T105 Q106 M161 A162 A165L98-L102 WeakPolarHBondContact O-CA 3.5Å; L98-L102 VanDerWaalsContact O-CB 3.26Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 2.77Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.1Å; L102-T105 PolarHBondContact O-N 3Å; L102-T105 VanDerWaalsContact O-N 3.15Å; L102-Q106 HydrophobicContact CD1-CG 4.21Å; L102-Q106 WeakPolarHBondContact O-CG 3.37Å; L102-Q106 PolarHBondContact O-N 2.96Å; L102-M161 HydrophobicContact CD1-CB 4.03Å; L102-M161 HydrophobicContact CD2-CB 3.92Å; L102-M161 HydrophobicContact CG-CB 4.48Å; L102-A162 HydrophobicContact CD1-CB 4.38Å; L102-A165 HydrophobicContact CD1-CB 4.49Å
103K98.7Very high97.8Very high109 Ų10940.5 Ų40.547%0.47421%0.206SC..Iπ-helixtrans-63.4-41.6-176.9177.9-175.5178.4-177.90111.1L98 D99 T105 Q106 L107L98-K103 PolarHBondContact O-N 2.84Å; D99-K103 CarbonylContact O-C 3.53Å; D99-K103 WeakPolarHBondContact O-CA 3.38Å; D99-K103 VanDerWaalsContact O-CB 3.28Å; D99-K103 WeakPolarHBondContact O-CB 3.48Å; D99-K103 PolarHBondContact O-N 2.8Å; K103-T105 VanDerWaalsContact C-N 3.32Å; K103-T105 PolarHBondContact O-N 2.86Å; K103-Q106 PolarHBondContact O-N 3.01Å; K103-L107 HydrophobicContact CG-CD1 4.21Å; K103-L107 HydrophobicContact CG-CG 4.43Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 3.16Å
104G98.8Very high98Very high0 Ų041.2 Ų41.20%020%0.203CC..Hα-helixtrans-60.5-39174.700000113.1D99 V100 L102 L108D99-G104 PolarHBondContact O-N 3.02Å; V100-G104 WeakPolarHBondContact O-CA 3.44Å; L102-G104 VanDerWaalsContact C-N 3.34Å; L102-G104 PolarHBondContact O-N 3.1Å; G104-L108 WeakPolarHBondContact O-CB 3.47Å; G104-L108 PolarHBondContact O-N 3.4Å; G104-L108 VanDerWaalsContact O-N 3.12Å
105T98.9Very high98.2Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-66.2-43.4173.7-60.60000111.8H81 N101 L102 K103 L108 L109 F120 Y122 A162 V166H81-T105 PolarHBondContact CD2-OG1 2.75Å; H81-T105 PolarHBondContact NE2-OG1 3.28Å; N101-T105 PolarHBondContact O-OG1 2.84Å; L102-T105 PolarHBondContact O-N 3Å; L102-T105 VanDerWaalsContact O-N 3.15Å; K103-T105 VanDerWaalsContact C-N 3.32Å; K103-T105 PolarHBondContact O-N 2.86Å; T105-L108 PolarHBondContact O-N 3.01Å; T105-L109 HydrophobicContact CG2-CD1 4.24Å; T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.45Å; T105-F120 HydrophobicContact CG2-CZ 4.32Å; T105-Y122 HydrophobicContact CG2-CD2 4.35Å; T105-Y122 HydrophobicContact CG2-CE2 4.14Å; T105-A162 HydrophobicContact CG2-CB 4.28Å; T105-V166 HydrophobicContact CG2-CG2 3.68Å
106Q98.8Very high98.3Very high83 Ų8334.1 Ų34.139%0.38818%0.179SC..Hα-helixtrans-60.7-47.2176.6-71.7172.6-34.500111.8L102 K103 L108 L109 D110 A165L102-Q106 HydrophobicContact CD1-CG 4.21Å; L102-Q106 WeakPolarHBondContact O-CG 3.37Å; L102-Q106 PolarHBondContact O-N 2.96Å; K103-Q106 PolarHBondContact O-N 3.01Å; Q106-L108 PolarHBondContact O-N 3.47Å; Q106-L109 WeakPolarHBondContact O-CB 3.43Å; Q106-L109 PolarHBondContact O-N 2.96Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; Q106-D110 PolarHBondContact O-N 3.33Å; Q106-A165 HydrophobicContact CG-CB 4.15Å
107L98.9Very high98.4Very high37 Ų3731 Ų3119%0.19416%0.16CC..Hα-helixtrans-59.7-35176.4-69.5172.6000112.4A66 L69 K103 A111A66-L107 HydrophobicContact CB-CD2 4.28Å; L69-L107 HydrophobicContact CD1-CB 3.8Å; K103-L107 HydrophobicContact CG-CD1 4.21Å; K103-L107 HydrophobicContact CG-CG 4.43Å; K103-L107 VanDerWaalsContact O-CG 3.31Å; K103-L107 WeakPolarHBondContact O-CG 3.31Å; K103-L107 PolarHBondContact O-N 3.16Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.22Å
108L98.9Very high98.5Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-73.3-37.6177.2-169.366.4000112.4L7 T9 L69 V79 H81 G104 T105 Q106 A111 C112 F120L7-L108 HydrophobicContact CD2-CD1 4.41Å; T9-L108 HydrophobicContact CG2-CD1 4.26Å; T9-L108 HydrophobicContact CG2-CD2 3.85Å; L69-L108 HydrophobicContact CB-CD1 4.37Å; L69-L108 HydrophobicContact CD1-CB 3.98Å; L69-L108 HydrophobicContact CD1-CD1 4.09Å; L69-L108 HydrophobicContact CD2-CD1 3.69Å; L69-L108 HydrophobicContact CG-CD1 4.26Å; V79-L108 HydrophobicContact CG1-CD2 3.76Å; V79-L108 HydrophobicContact CG1-CG 4.22Å; H81-L108 HydrophobicContact CB-CD2 3.87Å; G104-L108 WeakPolarHBondContact O-CB 3.47Å; G104-L108 PolarHBondContact O-N 3.4Å; G104-L108 VanDerWaalsContact O-N 3.12Å; T105-L108 PolarHBondContact O-N 3.01Å; Q106-L108 PolarHBondContact O-N 3.47Å; L108-A111 PolarHBondContact O-N 3.18Å; L108-C112 PolarHBondContact O-N 3.41Å; L108-C112 PolarHBondContact O-SG 3.06Å; L108-F120 HydrophobicContact CB-CE2 4.23Å; L108-F120 HydrophobicContact CD2-CE2 3.7Å; L108-F120 HydrophobicContact CD2-CZ 4.02Å; L108-F120 HydrophobicContact CG-CE2 3.75Å; L108-F120 HydrophobicContact CG-CZ 4.41Å
109L98.9Very high98.5Very high9 Ų934.4 Ų34.45%0.04718%0.183CC..Hα-helixtrans-61.1-46.7172.1-70.9165.8000110.7T105 Q106 A111 C112 V113 F120 A165 V166 A169 T182T105-L109 HydrophobicContact CG2-CD1 4.24Å; T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.45Å; Q106-L109 WeakPolarHBondContact O-CB 3.43Å; Q106-L109 PolarHBondContact O-N 2.96Å; Q106-L109 VanDerWaalsContact O-N 3.15Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.18Å; L109-C112 WeakPolarHBondContact O-CB 3.27Å; L109-C112 PolarHBondContact O-N 2.82Å; L109-C112 VanDerWaalsContact O-N 3.1Å; L109-V113 PolarHBondContact O-N 3.15Å; L109-F120 HydrophobicContact CD2-CD1 3.85Å; L109-F120 HydrophobicContact CD2-CD2 3.86Å; L109-F120 HydrophobicContact CD2-CE1 3.9Å; L109-F120 HydrophobicContact CD2-CE2 3.87Å; L109-F120 HydrophobicContact CD2-CG 3.83Å; L109-F120 HydrophobicContact CD2-CZ 3.91Å; L109-F120 HydrophobicContact CG-CE1 4.47Å; L109-F120 HydrophobicContact CG-CE2 4.22Å; L109-F120 HydrophobicContact CG-CZ 4.14Å; L109-A165 HydrophobicContact CD1-CB 4.42Å; L109-V166 HydrophobicContact CD1-CG2 4.07Å; L109-V166 HydrophobicContact CD2-CG2 4.48Å; L109-A169 HydrophobicContact CD1-CB 4.18Å; L109-A169 HydrophobicContact CD2-CB 4.03Å; L109-T182 HydrophobicContact CD2-CG2 4.4Å
110D98.6Very high98.6Very high94 Ų9432.2 Ų32.250%0.50317%0.171SC..Hα-helixtrans-58.7-44.8176-67-20.9000111.1Q106 C112 V113 E114Q106-D110 PolarHBondContact O-N 3.33Å; D110-C112 VanDerWaalsContact C-N 3.3Å; D110-C112 PolarHBondContact O-N 3.36Å; D110-V113 PolarHBondContact O-N 2.89Å; D110-E114 WeakPolarHBondContact O-CB 3.31Å; D110-E114 WeakPolarHBondContact O-CG 3.44Å; D110-E114 PolarHBondContact O-N 3.12Å
111A98.8Very high98.6Very high2 Ų233.5 Ų33.52%0.01718%0.177CC..Hα-helixtrans-62.2-35.5176.400000112.8L69 C73 L107 L108 L109 A115L69-A111 HydrophobicContact CB-CB 3.84Å; C73-A111 HydrophobicContact CB-CB 4.48Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.22Å; L108-A111 PolarHBondContact O-N 3.18Å; L109-A111 VanDerWaalsContact C-N 3.32Å; L109-A111 PolarHBondContact O-N 3.18Å; A111-A115 WeakPolarHBondContact O-CB 3.31Å; A111-A115 PolarHBondContact O-N 3.22Å
112C98.8Very high98.6Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-64.6-48.9175.1-69.60000111.5L108 L109 D110 E114 A115 N116 V117 L180L108-C112 PolarHBondContact O-N 3.41Å; L108-C112 PolarHBondContact O-SG 3.06Å; L109-C112 WeakPolarHBondContact O-CB 3.27Å; L109-C112 PolarHBondContact O-N 2.82Å; L109-C112 VanDerWaalsContact O-N 3.1Å; D110-C112 VanDerWaalsContact C-N 3.3Å; D110-C112 PolarHBondContact O-N 3.36Å; C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact O-N 3.06Å; C112-A115 CarbonylContact O-C 3.59Å; C112-A115 PolarHBondContact O-N 3.42Å; C112-N116 PolarHBondContact O-N 3.21Å; C112-V117 HydrophobicContact CB-CB 3.92Å; C112-V117 HydrophobicContact CB-CG2 4.37Å; C112-V117 PolarHBondContact O-N 3.2Å; C112-L180 HydrophobicContact CB-CD1 4.37Å
113V98.4Very high98.6Very high39 Ų3932.6 Ų32.624%0.23617%0.173CC..Hα-helixtrans-60.3-45.4176.81760000110.4L109 D110 A115 N116 L180L109-V113 PolarHBondContact O-N 3.15Å; D110-V113 PolarHBondContact O-N 2.89Å; V113-A115 VanDerWaalsContact C-N 3.29Å; V113-A115 PolarHBondContact O-N 2.99Å; V113-N116 PolarHBondContact O-N 3Å; V113-L180 HydrophobicContact CG2-CD2 3.8Å
114E97.9Very high98.5Very high75 Ų7527.7 Ų27.735%0.3515%0.153SC..Hα-helixtrans-62.9-34.3179.9-78.9-168.2-150.200113.9K70 D110 C112 K175K70-E114 WeakPolarHBondContact CD-OE2 3.4Å; K70-E114 WeakPolarHBondContact CE-OE1 3.35Å; K70-E114 WeakPolarHBondContact CE-OE2 3.37Å; K70-E114 IonicContact NZ-OE1 3.32Å; K70-E114 PolarHBondContact NZ-OE1 2.95Å; K70-E114 IonicContact NZ-OE2 3.62Å; K70-E114 PolarHBondContact NZ-OE2 3.42Å; D110-E114 WeakPolarHBondContact O-CB 3.31Å; D110-E114 WeakPolarHBondContact O-CG 3.44Å; D110-E114 PolarHBondContact O-N 3.12Å; C112-E114 VanDerWaalsContact C-N 3.32Å; C112-E114 PolarHBondContact O-N 3.06Å; E114-K175 PolarHBondContact O-NZ 3.27Å
115A98.3Very high98.2Very high21 Ų2128.2 Ų28.217%0.17416%0.157CC..Hα-helixtrans-94.42.3-178.100000114C73 A111 C112 V113 V117C73-A115 HydrophobicContact CB-CB 3.72Å; A111-A115 WeakPolarHBondContact O-CB 3.31Å; A111-A115 PolarHBondContact O-N 3.22Å; C112-A115 CarbonylContact O-C 3.59Å; C112-A115 PolarHBondContact O-N 3.42Å; V113-A115 VanDerWaalsContact C-N 3.29Å; V113-A115 PolarHBondContact O-N 2.99Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 HydrophobicContact CB-CG2 4.19Å
116N98.4Very high97.8Very high48 Ų4831.2 Ų31.226%0.25718%0.175SC..THydrogen-bonded Turntrans59.836.2-175.4-52.6-64.2000114.2C112 V113 P118 L174 K175 N176C112-N116 PolarHBondContact O-N 3.21Å; V113-N116 PolarHBondContact O-N 3Å; N116-P118 VanDerWaalsContact O-CD 3.32Å; N116-P118 WeakPolarHBondContact O-CD 3.16Å; N116-L174 HydrophobicContact CB-CB 4.46Å; N116-L174 HydrophobicContact CB-CD1 4.47Å; N116-K175 WeakPolarHBondContact OD1-CA 3.32Å; N116-K175 VanDerWaalsContact OD1-CB 3.3Å; N116-K175 WeakPolarHBondContact OD1-CB 3.46Å; N116-K175 PolarHBondContact OD1-N 3.34Å; N116-N176 HydrophobicContact CB-CB 4.44Å; N116-N176 PolarHBondContact OD1-N 3.18Å
117V98.6Very high97.4Very high0 Ų031.1 Ų31.10%018%0.176CC..  trans-75120.9172.6-177.70000108.5C73 M76 V79 C112 A115 L180C73-V117 HydrophobicContact CB-CG2 3.97Å; C73-V117 WeakPolarHBondContact O-CG2 3.09Å; M76-V117 HydrophobicContact CB-CG2 4.16Å; V79-V117 HydrophobicContact CG2-CG1 4.02Å; C112-V117 HydrophobicContact CB-CB 3.92Å; C112-V117 HydrophobicContact CB-CG2 4.37Å; C112-V117 PolarHBondContact O-N 3.2Å; A115-V117 VanDerWaalsContact C-N 3.33Å; A115-V117 HydrophobicContact CB-CG2 4.19Å; V117-L180 VanDerWaalsContact O-CD1 3.26Å; V117-L180 WeakPolarHBondContact O-CD1 3.27Å
118P98.4Very high96.9Very high48 Ų4829.3 Ų29.331%0.31217%0.167SC..  trans-82.4-17.4-176.231.8-36.4000114.5S77 N116 L174 H181S77-P118 VanDerWaalsContact O-CD 3.23Å; S77-P118 WeakPolarHBondContact O-CD 3.42Å; S77-P118 VanDerWaalsContact O-CG 3.29Å; S77-P118 WeakPolarHBondContact O-CG 3.26Å; N116-P118 VanDerWaalsContact O-CD 3.32Å; N116-P118 WeakPolarHBondContact O-CD 3.16Å; P118-L174 HydrophobicContact CB-CD1 4.32Å; P118-H181 PolarHBondContact O-N 3.23Å
119T98.8Very high96.1Very high53 Ų5331.9 Ų31.933%0.32519%0.188SC..EExtended strand (participates in β ladder)trans-130.6128.1-172.4-58.20000112.4A78 V79 I121 H181A78-T119 CarbonylContact C-O 3.6Å; A78-T119 WeakPolarHBondContact CA-O 3.27Å; A78-T119 HydrophobicContact CB-CG2 4.21Å; V79-T119 PolarHBondContact N-O 3.4Å; T119-I121 HydrophobicContact CG2-CD1 4.47Å; T119-I121 HydrophobicContact CG2-CG1 4.28Å; T119-H181 CarbonylContact C-O 3.58Å; T119-H181 WeakPolarHBondContact CA-O 3.34Å
120F98.9Very high94.8Very high1 Ų132.1 Ų32.10%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-129.8119.6176-170.9-82.3000111.8V79 H81 T105 L108 L109 V166 L180 H181 T182 C183V79-F120 HydrophobicContact CB-CD2 4.02Å; V79-F120 HydrophobicContact CG1-CD2 3.83Å; V79-F120 HydrophobicContact CG1-CE2 3.85Å; H81-F120 HydrophobicContact CB-CE1 4.16Å; H81-F120 HydrophobicContact CB-CE2 4.4Å; H81-F120 HydrophobicContact CB-CZ 3.77Å; H81-F120 AromaticContact CD2-CZ 3.87Å; T105-F120 HydrophobicContact CG2-CZ 4.32Å; L108-F120 HydrophobicContact CB-CE2 4.23Å; L108-F120 HydrophobicContact CD2-CE2 3.7Å; L108-F120 HydrophobicContact CD2-CZ 4.02Å; L108-F120 HydrophobicContact CG-CE2 3.75Å; L108-F120 HydrophobicContact CG-CZ 4.41Å; L109-F120 HydrophobicContact CD2-CD1 3.85Å; L109-F120 HydrophobicContact CD2-CD2 3.86Å; L109-F120 HydrophobicContact CD2-CE1 3.9Å; L109-F120 HydrophobicContact CD2-CE2 3.87Å; L109-F120 HydrophobicContact CD2-CG 3.83Å; L109-F120 HydrophobicContact CD2-CZ 3.91Å; L109-F120 HydrophobicContact CG-CE1 4.47Å; L109-F120 HydrophobicContact CG-CE2 4.22Å; L109-F120 HydrophobicContact CG-CZ 4.14Å; F120-V166 HydrophobicContact CD1-CG1 4.15Å; F120-V166 HydrophobicContact CD1-CG2 4.41Å; F120-V166 HydrophobicContact CE1-CG1 4.34Å; F120-V166 HydrophobicContact CE1-CG2 3.82Å; F120-L180 HydrophobicContact CB-CD1 4.15Å; F120-H181 PolarHBondContact N-O 3.45Å; F120-T182 HydrophobicContact CB-CG2 4.1Å; F120-T182 CarbonylContact O-C 3.58Å; F120-T182 VanDerWaalsContact O-CA 3.24Å; F120-T182 WeakPolarHBondContact O-CA 3.47Å; F120-C183 PolarHBondContact O-N 2.82Å
121I98.8Very high93.2Very high52 Ų5231.6 Ų31.627%0.26719%0.194SC..EExtended strand (participates in β ladder)trans-113.2116.5178.8-59.3169.6000108.7V79 I80 H81 T119 L185V79-I121 PolarHBondContact O-N 2.97Å; I80-I121 HydrophobicContact CG1-CB 4.45Å; I80-I121 HydrophobicContact CG1-CD1 4.35Å; H81-I121 PolarHBondContact N-O 3.48Å; T119-I121 HydrophobicContact CG2-CD1 4.47Å; T119-I121 HydrophobicContact CG2-CG1 4.28Å; I121-L185 HydrophobicContact CG2-CD1 3.77Å; I121-L185 HydrophobicContact CG2-CG 4.22Å
122Y98.8Very high91.4Very high1 Ų133.5 Ų33.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-97.7125.2178.8-176.5-126.2000111.5H81 T105 S124 K159 A162 E163 V166 C183 A184 L185H81-Y122 HydrophobicContact CB-CD2 4.37Å; H81-Y122 AromaticContact CD2-CD2 3.49Å; H81-Y122 VanDerWaalsContact CD2-CD2 3.49Å; H81-Y122 WeakPolarHBondContact CD2-CD2 3.39Å; H81-Y122 AromaticContact CD2-CE2 3.6Å; T105-Y122 HydrophobicContact CG2-CD2 4.35Å; T105-Y122 HydrophobicContact CG2-CE2 4.14Å; Y122-S124 PolarHBondContact O-N 2.87Å; Y122-S124 VanDerWaalsContact O-N 3.12Å; Y122-K159 WeakPolarHBondContact OH-CD 3.48Å; Y122-K159 WeakPolarHBondContact OH-CE 3.5Å; Y122-K159 PolarHBondContact OH-NZ 3.33Å; Y122-A162 HydrophobicContact CE1-CB 4.1Å; Y122-A162 HydrophobicContact CE2-CB 4.44Å; Y122-A162 WeakPolarHBondContact OH-CB 3.49Å; Y122-E163 HydrophobicContact CE1-CB 4.39Å; Y122-V166 HydrophobicContact CD1-CG2 4.17Å; Y122-V166 HydrophobicContact CD2-CG2 4.39Å; Y122-V166 HydrophobicContact CG-CG2 3.93Å; Y122-C183 PolarHBondContact N-O 2.69Å; Y122-A184 HydrophobicContact CD1-CB 4.18Å; Y122-L185 PolarHBondContact O-N 2.88Å
123S97.8Very high89.5Confident13 Ų1336.1 Ų36.19%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-78.689.9166.9-59.60000109.7H81 K159H81-S123 WeakPolarHBondContact O-CB 3.49Å; H81-S123 PolarHBondContact O-N 2.82Å; H81-S123 PolarHBondContact O-OG 3.11Å; S123-K159 VanDerWaalsContact O-CE 3.32Å; S123-K159 WeakPolarHBondContact O-CE 3.45Å; S123-K159 PolarHBondContact O-NZ 2.97Å
124S96.1Very high87.4Confident5 Ų540.2 Ų40.24%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-74.8-162.4170.5-164.90000111Y122 E163 L185 L187Y122-S124 PolarHBondContact O-N 2.87Å; Y122-S124 VanDerWaalsContact O-N 3.12Å; S124-E163 WeakPolarHBondContact CB-OE2 3.43Å; S124-E163 PolarHBondContact OG-OE2 2.91Å; S124-L185 CarbonylContact C-O 3.55Å; S124-L185 VanDerWaalsContact CA-O 3.26Å; S124-L185 WeakPolarHBondContact CA-O 3.18Å; S124-L185 WeakPolarHBondContact CB-O 3.48Å; S124-L185 PolarHBondContact N-O 2.72Å; S124-L187 PolarHBondContact O-N 3.21Å
125S93.4Very high85.6Confident12 Ų1247 Ų478%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-141.8145.6179.9179.90000111L127 V128 L187S125-L127 PolarHBondContact O-N 3.39Å; S125-L127 VanDerWaalsContact O-N 3.1Å; S125-L127 PolarHBondContact OG-N 3.02Å; S125-V128 WeakPolarHBondContact O-CB 3.5Å; S125-V128 WeakPolarHBondContact O-CG1 3.18Å; S125-V128 WeakPolarHBondContact O-CG2 3.32Å; S125-V128 PolarHBondContact O-N 3.34Å; S125-L187 WeakPolarHBondContact CA-O 3.45Å
126V90.2Very high84Confident63 Ų6353 Ų5338%0.38229%0.288SS..G310 helixtrans-55.6-25.3169.8-67.40000113V128 A129 R186 L187V126-V128 PolarHBondContact O-N 2.93Å; V126-V128 VanDerWaalsContact O-N 3.16Å; V126-A129 WeakPolarHBondContact O-CB 3.44Å; V126-A129 PolarHBondContact O-N 2.93Å; V126-A129 VanDerWaalsContact O-N 3.12Å; V126-R186 WeakPolarHBondContact CG1-O 3.34Å; V126-L187 PolarHBondContact N-O 3.19Å
127L89.1Confident82.8Confident80 Ų8058 Ų5842%0.41931%0.312SS..G310 helixtrans-66.9-13.7177.7-58.8-179000113.1S125 A129 G130 Y155 P156S125-L127 PolarHBondContact O-N 3.39Å; S125-L127 VanDerWaalsContact O-N 3.1Å; S125-L127 PolarHBondContact OG-N 3.02Å; L127-A129 PolarHBondContact O-N 3.33Å; L127-G130 PolarHBondContact O-N 2.83Å; L127-Y155 HydrophobicContact CD1-CD1 4.29Å; L127-Y155 HydrophobicContact CD1-CE1 4.26Å; L127-P156 HydrophobicContact CB-CB 3.98Å; L127-P156 HydrophobicContact CB-CG 3.88Å; L127-P156 HydrophobicContact CD1-CG 4.14Å
128V88.5Confident81.7Confident0 Ų061.4 Ų61.40%033%0.33CS..G310 helixtrans-69.5-11.8173.3-54.60000112.9S125 V126 G130 W151 K159 K160 E163 R186S125-V128 WeakPolarHBondContact O-CB 3.5Å; S125-V128 WeakPolarHBondContact O-CG1 3.18Å; S125-V128 WeakPolarHBondContact O-CG2 3.32Å; S125-V128 PolarHBondContact O-N 3.34Å; V126-V128 PolarHBondContact O-N 2.93Å; V126-V128 VanDerWaalsContact O-N 3.16Å; V128-G130 VanDerWaalsContact C-N 3.35Å; V128-W151 WeakPolarHBondContact O-CZ2 3.03Å; V128-K159 HydrophobicContact CG1-CB 3.46Å; V128-K159 VanDerWaalsContact CG1-CB 3.46Å; V128-K160 HydrophobicContact CB-CB 4.15Å; V128-K160 HydrophobicContact CB-CD 3.95Å; V128-K160 HydrophobicContact CG1-CB 4.28Å; V128-E163 WeakPolarHBondContact CG2-OE2 3.5Å; V128-R186 HydrophobicContact CG2-CG 3.86Å; V128-R186 VanDerWaalsContact CG2-NE 3.31Å
129A83.3Confident80.8Confident53 Ų5365.7 Ų65.744%0.43835%0.349SS..G310 helixtrans-81-12.5174.300000113.1V126 L127V126-A129 WeakPolarHBondContact O-CB 3.44Å; V126-A129 PolarHBondContact O-N 2.93Å; V126-A129 VanDerWaalsContact O-N 3.12Å; L127-A129 PolarHBondContact O-N 3.33Å
130G70.6Confident80Confident15 Ų1570.5 Ų70.516%0.15537%0.373CS..  trans-175.7-170.9-175.200000116.6L127 V128 W151L127-G130 PolarHBondContact O-N 2.83Å; V128-G130 VanDerWaalsContact C-N 3.35Å; G130-W151 PolarHBondContact O-NE1 3.12Å
131P65.1Low79.1Confident82 Ų8272.5 Ų72.553%0.53239%0.39SS..  cis-67.2139.8726.9-32.3000111.9S149 T150P131-S149 WeakPolarHBondContact O-CA 3.49Å; P131-T150 PolarHBondContact O-N 3.24Å
132N61.4Low78.3Confident43 Ų4376 Ų7623%0.2341%0.405CS..BIsolated β-bridgetrans-62.2149.1169.555.9-10.5000109.1Y134 E136 I138N132-Y134 PolarHBondContact O-N 3.27Å; N132-E136 PolarHBondContact ND2-O 2.66Å; N132-E136 VanDerWaalsContact ND2-O 3.11Å; N132-I138 HydrophobicContact CB-CD1 4.01Å; N132-I138 VanDerWaalsContact ND2-CD1 3.34Å; N132-I138 WeakPolarHBondContact ND2-CD1 3.47Å
133S58.4Low77.6Confident54 Ų5482.1 Ų82.138%0.37843%0.434SS..SBendtrans-70.4-7.8173.651.60000113.1E148S133-E148 PolarHBondContact N-O 3.01Å; S133-E148 WeakPolarHBondContact OG-CB 3.35Å; S133-E148 PolarHBondContact OG-O 3.4Å
134Y54.9Low76.8Confident125 Ų12589.8 Ų89.849%0.4947%0.468SS..SBendtrans-91.6150.9-170.9-68.3-84.3000113.8N132 E136 E148N132-Y134 PolarHBondContact O-N 3.27Å; Y134-E136 PolarHBondContact O-N 2.89Å; Y134-E148 HydrophobicContact CE2-CB 4.25Å
135K59.3Low75.9Confident218 Ų21893.7 Ų93.795%0.94849%0.486SS*.SBendtrans-764.4169.4-64.1179.3179.3177.60113.2
136E64.4Low74.8Confident148 Ų148102 Ų10269%0.69252%0.523SS*.SBendtrans-107.8144-169.7-64-172172.400112.7N132 Y134N132-E136 PolarHBondContact ND2-O 2.66Å; N132-E136 VanDerWaalsContact ND2-O 3.11Å; Y134-E136 PolarHBondContact O-N 2.89Å
137I74.8Confident73.9Confident151 Ų151102.2 Ų102.277%0.77452%0.52SS*.  trans-78.2123.7178.6-57.9174.4000108.5L139I137-L139 HydrophobicContact CG2-CD2 3.94Å; I137-L139 HydrophobicContact CG2-CG 3.98Å
138I75.1Confident72.8Confident72 Ų72104.7 Ų104.737%0.36953%0.529SS..  trans-91.3122.6173.7-60.1174.7000108.6N132 A141N132-I138 HydrophobicContact CB-CD1 4.01Å; N132-I138 VanDerWaalsContact ND2-CD1 3.34Å; N132-I138 WeakPolarHBondContact ND2-CD1 3.47Å; I138-A141 HydrophobicContact CG2-CB 3.3Å
139L79.3Confident71.9Confident138 Ų138105.9 Ų105.972%0.72354%0.537SS*.  trans-122.9136177.2-63.5175000109.4I137 A141I137-L139 HydrophobicContact CG2-CD2 3.94Å; I137-L139 HydrophobicContact CG2-CG 3.98Å; L139-A141 VanDerWaalsContact C-N 3.25Å; L139-A141 PolarHBondContact O-N 3.22Å
140N82.7Confident71.3Confident154 Ų154107.6 Ų107.682%0.82454%0.542SS*.SBendtrans5630.3177-54.4-41.1000115.4
141A79.4Confident71.5Confident44 Ų44109.4 Ų109.436%0.36455%0.545SS..  trans-71.3151.4177.900000113.1I138 L139 E145I138-A141 HydrophobicContact CG2-CB 3.3Å; L139-A141 VanDerWaalsContact C-N 3.25Å; L139-A141 PolarHBondContact O-N 3.22Å; A141-E145 WeakPolarHBondContact CA-OE1 3.12Å
142H82.6Confident72Confident124 Ų124111 Ų11157%0.57456%0.558SS**  trans-105158178.6-61.2-68000112.7E144 E145H142-E144 PolarHBondContact O-N 3.12Å; H142-E144 VanDerWaalsContact O-N 3.16Å; H142-E145 HydrophobicContact CB-CG 4.48Å; H142-E145 IonicContact CD2-OE1 3.73Å; H142-E145 PolarHBondContact CD2-OE1 3.26Å; H142-E145 IonicContact CG-OE1 3.34Å; H142-E145 PolarHBondContact N-OE1 3.33Å; H142-E145 WeakPolarHBondContact O-CB 3.49Å; H142-E145 PolarHBondContact O-N 2.8Å
143E82.8Confident73.1Confident130 Ų130112.4 Ų112.461%0.60757%0.566SS**THydrogen-bonded Turntrans-64.6-19.5-179.9-66.492.4161.200114.6E145 R186E143-E145 VanDerWaalsContact C-N 3.33Å; E143-R186 VanDerWaalsContact CG-NH1 3.33Å
144E80.7Confident74.6Confident175 Ų175111.1 Ų111.182%0.81856%0.556SS**THydrogen-bonded Turntrans-75.8-19.6175.5-60.7-177.5179.100112.7H142 H146H142-E144 PolarHBondContact O-N 3.12Å; H142-E144 VanDerWaalsContact O-N 3.16Å; E144-H146 PolarHBondContact O-N 3.11Å
145E77.6Confident76.4Confident87 Ų87106.6 Ų106.641%0.40754%0.538SS..  trans-73.8124.7179.9-68.1176.2-124.300111.2A141 H142 E143 H147A141-E145 WeakPolarHBondContact CA-OE1 3.12Å; H142-E145 HydrophobicContact CB-CG 4.48Å; H142-E145 IonicContact CD2-OE1 3.73Å; H142-E145 PolarHBondContact CD2-OE1 3.26Å; H142-E145 IonicContact CG-OE1 3.34Å; H142-E145 PolarHBondContact N-OE1 3.33Å; H142-E145 WeakPolarHBondContact O-CB 3.49Å; H142-E145 PolarHBondContact O-N 2.8Å; E143-E145 VanDerWaalsContact C-N 3.33Å; E145-H147 PolarHBondContact O-N 2.82Å; E145-H147 IonicContact OE2-CE1 2.78Å; E145-H147 IonicContact OE2-NE2 3.92Å
146H69.6Low77.9Confident186 Ų18696.6 Ų96.686%0.86150%0.496SS*.  trans-89.997.9179-66.8-44.6000110.7E144E144-H146 PolarHBondContact O-N 3.11Å
147H71.5Confident79.3Confident68 Ų6893 Ų9332%0.31548%0.476SS..  trans-96.1137.9169.5-54-66.2000110.9E145 S149E145-H147 PolarHBondContact O-N 2.82Å; E145-H147 IonicContact OE2-CE1 2.78Å; E145-H147 IonicContact OE2-NE2 3.92Å; H147-S149 PolarHBondContact O-N 3.22Å
148E65.8Low80.2Confident131 Ų13185.8 Ų85.861%0.61244%0.439SS*.  trans-66.5122.5165.3-70.3-172.6167.300109S133 Y134S133-E148 PolarHBondContact N-O 3.01Å; S133-E148 WeakPolarHBondContact OG-CB 3.35Å; S133-E148 PolarHBondContact OG-O 3.4Å; Y134-E148 HydrophobicContact CE2-CB 4.25Å
149S70.9Confident81.2Confident25 Ų2582.6 Ų82.618%0.17542%0.423CS..BIsolated β-bridgetrans-119.2138.6176.6-550000109.9P131 H147 W151P131-S149 WeakPolarHBondContact O-CA 3.49Å; H147-S149 PolarHBondContact O-N 3.22Å; S149-W151 VanDerWaalsContact CB-CH2 3.44Å
150T69.9Low81.9Confident89 Ų8977.9 Ų77.955%0.54640%0.396SS..  trans-110.8115.3171.551.20000109.2P131P131-T150 PolarHBondContact O-N 3.24Å
151W74.2Confident82.5Confident53 Ų5373.2 Ų73.220%0.20137%0.37CS..  trans-107.399.6179.6-61.2-71.7000111.4V128 G130 S149 P156 Y157 K160V128-W151 WeakPolarHBondContact O-CZ2 3.03Å; G130-W151 PolarHBondContact O-NE1 3.12Å; S149-W151 VanDerWaalsContact CB-CH2 3.44Å; W151-P156 VanDerWaalsContact CD1-CB 3.43Å; W151-P156 HydrophobicContact CG-CB 4.24Å; W151-Y157 HydrophobicContact CD2-CD2 4.37Å; W151-Y157 AromaticContact CE3-CD2 3.68Å; W151-Y157 HydrophobicContact CE3-CD2 3.68Å; W151-Y157 HydrophobicContact CE3-CE2 4.5Å; W151-Y157 HydrophobicContact CZ3-CD2 4.3Å; W151-K160 HydrophobicContact CH2-CB 4.02Å; W151-K160 HydrophobicContact CH2-CD 4.17Å; W151-K160 HydrophobicContact CH2-CG 3.52Å; W151-K160 HydrophobicContact CZ2-CB 3.95Å; W151-K160 HydrophobicContact CZ2-CD 4.2Å; W151-K160 HydrophobicContact CZ2-CG 3.82Å; W151-K160 HydrophobicContact CZ3-CG 4.28Å
152S76.1Confident83.4Confident116 Ų11671.1 Ų71.181%0.81135%0.353SS*.  trans-69.6-37.3166.654.70000111.3
153N84.1Confident84Confident73 Ų7365.5 Ų65.539%0.3933%0.327SS..SBendtrans-74.8128.5176.1-172.9-35.4000111Y155 P156N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.27Å; N153-Y155 PolarHBondContact OD1-N 2.94Å; N153-P156 HydrophobicContact CB-CG 4.26Å; N153-P156 WeakPolarHBondContact OD1-CD 3.45Å
154P90.9Very high84.7Confident27 Ų2765.1 Ų65.118%0.17532%0.323CS..Hα-helixtrans-64.2-29.8179.126.7-36.9000114.4R94 I97 S158R94-P154 HydrophobicContact CB-CB 4.13Å; R94-P154 HydrophobicContact CG-CB 3.93Å; I97-P154 HydrophobicContact CB-CB 4.3Å; I97-P154 HydrophobicContact CD1-CB 4.02Å; I97-P154 HydrophobicContact CD1-CG 3.47Å; I97-P154 VanDerWaalsContact CD1-CG 3.47Å; I97-P154 HydrophobicContact CG2-CB 4.21Å; P154-S158 VanDerWaalsContact O-CB 3.3Å; P154-S158 WeakPolarHBondContact O-CB 3.27Å; P154-S158 PolarHBondContact O-N 3.43Å; P154-S158 PolarHBondContact O-OG 3.16Å
155Y92.8Very high85.5Confident29 Ų2957.9 Ų57.911%0.11429%0.293CS..Hα-helixtrans-66.1-58.1-175.7171.5-98.3000112.9A85 I86 N101 L127 N153 Y157 S158 K159A85-Y155 VanDerWaalsContact O-CD2 3.32Å; A85-Y155 WeakPolarHBondContact O-CD2 3.42Å; I86-Y155 HydrophobicContact CB-CE2 4.38Å; I86-Y155 HydrophobicContact CD1-CE2 4.46Å; I86-Y155 HydrophobicContact CG1-CD2 4.37Å; I86-Y155 HydrophobicContact CG1-CE2 3.67Å; I86-Y155 HydrophobicContact CG2-CE2 4.49Å; N101-Y155 WeakPolarHBondContact ND2-CD2 3.35Å; L127-Y155 HydrophobicContact CD1-CD1 4.29Å; L127-Y155 HydrophobicContact CD1-CE1 4.26Å; N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.27Å; N153-Y155 PolarHBondContact OD1-N 2.94Å; Y155-Y157 VanDerWaalsContact C-N 3.27Å; Y155-Y157 PolarHBondContact O-N 2.86Å; Y155-S158 PolarHBondContact O-N 2.98Å; Y155-S158 PolarHBondContact O-OG 3.12Å; Y155-K159 HydrophobicContact CD1-CG 4.49Å; Y155-K159 HydrophobicContact CD2-CG 4.18Å; Y155-K159 HydrophobicContact CE1-CG 4.05Å; Y155-K159 HydrophobicContact CE2-CD 3.76Å; Y155-K159 HydrophobicContact CE2-CG 3.68Å; Y155-K159 WeakPolarHBondContact O-CG 3.5Å; Y155-K159 PolarHBondContact O-N 2.94Å
156P91.6Very high86.5Confident9 Ų953.7 Ų53.76%0.05827%0.274CS..Hα-helixtrans-56.3-41.2177.8-27.637.5000113.2L127 W151 N153 S158 K159 K160L127-P156 HydrophobicContact CB-CB 3.98Å; L127-P156 HydrophobicContact CB-CG 3.88Å; L127-P156 HydrophobicContact CD1-CG 4.14Å; W151-P156 VanDerWaalsContact CD1-CB 3.43Å; W151-P156 HydrophobicContact CG-CB 4.24Å; N153-P156 HydrophobicContact CB-CG 4.26Å; N153-P156 WeakPolarHBondContact OD1-CD 3.45Å; P156-S158 PolarHBondContact O-N 3.08Å; P156-K159 PolarHBondContact O-N 3.43Å; P156-K160 PolarHBondContact O-N 3.48Å
157Y91.8Very high87.8Confident72 Ų7249.3 Ų49.328%0.28226%0.256SS..Hα-helixtrans-58.3-49.1174.5179.3-106.2000111.7L98 W151 Y155 K159 K160 M161L98-Y157 HydrophobicContact CD2-CD1 3.76Å; L98-Y157 HydrophobicContact CD2-CE1 3.85Å; W151-Y157 HydrophobicContact CD2-CD2 4.37Å; W151-Y157 AromaticContact CE3-CD2 3.68Å; W151-Y157 HydrophobicContact CE3-CD2 3.68Å; W151-Y157 HydrophobicContact CE3-CE2 4.5Å; W151-Y157 HydrophobicContact CZ3-CD2 4.3Å; Y155-Y157 VanDerWaalsContact C-N 3.27Å; Y155-Y157 PolarHBondContact O-N 2.86Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 3.35Å; Y157-K160 PolarHBondContact O-N 3.49Å; Y157-M161 HydrophobicContact CD1-CG 4.37Å; Y157-M161 HydrophobicContact CD2-CG 4.29Å; Y157-M161 HydrophobicContact CE1-CG 3.93Å; Y157-M161 HydrophobicContact CE2-CG 3.87Å; Y157-M161 HydrophobicContact CE2-SD 4.08Å; Y157-M161 WeakPolarHBondContact O-CG 3.44Å; Y157-M161 PolarHBondContact O-N 3.4Å
158S95.4Very high89.1Confident0 Ų050 Ų500%027%0.274CS..Hα-helixtrans-60.3-41.7179.474.50000112.4N101 P154 Y155 P156 M161 A162N101-S158 VanDerWaalsContact CB-OG 3.31Å; N101-S158 WeakPolarHBondContact CB-OG 3.26Å; N101-S158 PolarHBondContact ND2-OG 3.44Å; P154-S158 VanDerWaalsContact O-CB 3.3Å; P154-S158 WeakPolarHBondContact O-CB 3.27Å; P154-S158 PolarHBondContact O-N 3.43Å; P154-S158 PolarHBondContact O-OG 3.16Å; Y155-S158 PolarHBondContact O-N 2.98Å; Y155-S158 PolarHBondContact O-OG 3.12Å; P156-S158 PolarHBondContact O-N 3.08Å; S158-M161 PolarHBondContact O-N 3.35Å; S158-A162 VanDerWaalsContact O-CB 3.31Å; S158-A162 WeakPolarHBondContact O-CB 3.28Å; S158-A162 PolarHBondContact O-N 2.77Å
159K95.6Very high90.7Very high4 Ų444.5 Ų44.52%0.01725%0.251CS..Hα-helixtrans-66.2-39.4176.9-64-60.3-65.6178.30111.7Y122 S123 V128 Y155 P156 Y157 A162 E163Y122-K159 WeakPolarHBondContact OH-CD 3.48Å; Y122-K159 WeakPolarHBondContact OH-CE 3.5Å; Y122-K159 PolarHBondContact OH-NZ 3.33Å; S123-K159 VanDerWaalsContact O-CE 3.32Å; S123-K159 WeakPolarHBondContact O-CE 3.45Å; S123-K159 PolarHBondContact O-NZ 2.97Å; V128-K159 HydrophobicContact CG1-CB 3.46Å; V128-K159 VanDerWaalsContact CG1-CB 3.46Å; Y155-K159 HydrophobicContact CD1-CG 4.49Å; Y155-K159 HydrophobicContact CD2-CG 4.18Å; Y155-K159 HydrophobicContact CE1-CG 4.05Å; Y155-K159 HydrophobicContact CE2-CD 3.76Å; Y155-K159 HydrophobicContact CE2-CG 3.68Å; Y155-K159 WeakPolarHBondContact O-CG 3.5Å; Y155-K159 PolarHBondContact O-N 2.94Å; P156-K159 PolarHBondContact O-N 3.43Å; Y157-K159 VanDerWaalsContact C-N 3.33Å; Y157-K159 PolarHBondContact O-N 3.35Å; K159-A162 PolarHBondContact O-N 3.5Å; K159-E163 WeakPolarHBondContact O-CB 3.28Å; K159-E163 PolarHBondContact O-N 2.8Å
160K93.4Very high92Very high40 Ų4047.1 Ų47.117%0.17426%0.263CS..Hα-helixtrans-64.9-45175.9-17670.6176.6-178.60111.7V128 W151 P156 Y157 A162 E163 K164V128-K160 HydrophobicContact CB-CB 4.15Å; V128-K160 HydrophobicContact CB-CD 3.95Å; V128-K160 HydrophobicContact CG1-CB 4.28Å; W151-K160 HydrophobicContact CH2-CB 4.02Å; W151-K160 HydrophobicContact CH2-CD 4.17Å; W151-K160 HydrophobicContact CH2-CG 3.52Å; W151-K160 HydrophobicContact CZ2-CB 3.95Å; W151-K160 HydrophobicContact CZ2-CD 4.2Å; W151-K160 HydrophobicContact CZ2-CG 3.82Å; W151-K160 HydrophobicContact CZ3-CG 4.28Å; P156-K160 PolarHBondContact O-N 3.48Å; Y157-K160 PolarHBondContact O-N 3.49Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 3.37Å; K160-E163 IonicContact NZ-OE1 2.72Å; K160-E163 PolarHBondContact O-N 3.01Å; K160-K164 PolarHBondContact O-N 3.03Å
161M95.4Very high93.3Very high56 Ų5644.9 Ų44.928%0.27626%0.257SS..Hα-helixtrans-65.8-38.6179.7-67-52.9-61.900111.5L102 Y157 S158 K164 A165L102-M161 HydrophobicContact CD1-CB 4.03Å; L102-M161 HydrophobicContact CD2-CB 3.92Å; L102-M161 HydrophobicContact CG-CB 4.48Å; Y157-M161 HydrophobicContact CD1-CG 4.37Å; Y157-M161 HydrophobicContact CD2-CG 4.29Å; Y157-M161 HydrophobicContact CE1-CG 3.93Å; Y157-M161 HydrophobicContact CE2-CG 3.87Å; Y157-M161 HydrophobicContact CE2-SD 4.08Å; Y157-M161 WeakPolarHBondContact O-CG 3.44Å; Y157-M161 PolarHBondContact O-N 3.4Å; S158-M161 PolarHBondContact O-N 3.35Å; M161-K164 PolarHBondContact O-N 2.93Å; M161-K164 HydrophobicContact SD-CD 4.32Å; M161-A165 PolarHBondContact O-N 3.01Å; M161-A165 VanDerWaalsContact O-N 3.07Å
162A98Very high94.5Very high0 Ų044.3 Ų44.30%026%0.261CS..Hα-helixtrans-66.8-40.8173.900000112.2N101 L102 T105 Y122 S158 K159 K160 K164 A165 V166N101-A162 WeakPolarHBondContact O-CB 3.24Å; L102-A162 HydrophobicContact CD1-CB 4.38Å; T105-A162 HydrophobicContact CG2-CB 4.28Å; Y122-A162 HydrophobicContact CE1-CB 4.1Å; Y122-A162 HydrophobicContact CE2-CB 4.44Å; Y122-A162 WeakPolarHBondContact OH-CB 3.49Å; S158-A162 VanDerWaalsContact O-CB 3.31Å; S158-A162 WeakPolarHBondContact O-CB 3.28Å; S158-A162 PolarHBondContact O-N 2.77Å; K159-A162 PolarHBondContact O-N 3.5Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 3.37Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.08Å; A162-A165 WeakPolarHBondContact O-CB 3.46Å; A162-A165 PolarHBondContact O-N 2.95Å; A162-A165 VanDerWaalsContact O-N 3.11Å; A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.3Å; A162-V166 PolarHBondContact O-N 3.28Å
163E96.8Very high95.5Very high5 Ų545.1 Ų45.12%0.02326%0.255CS..Hα-helixtrans-58.1-43.8172.9-179.9175.7120.100111.5Y122 S124 V128 K159 K160 A165 V166 L167 A184 R186Y122-E163 HydrophobicContact CE1-CB 4.39Å; S124-E163 WeakPolarHBondContact CB-OE2 3.43Å; S124-E163 PolarHBondContact OG-OE2 2.91Å; V128-E163 WeakPolarHBondContact CG2-OE2 3.5Å; K159-E163 WeakPolarHBondContact O-CB 3.28Å; K159-E163 PolarHBondContact O-N 2.8Å; K160-E163 IonicContact NZ-OE1 2.72Å; K160-E163 PolarHBondContact O-N 3.01Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 2.87Å; E163-V166 PolarHBondContact O-N 3.27Å; E163-L167 HydrophobicContact CG-CD1 4.04Å; E163-L167 HydrophobicContact CG-CG 4.42Å; E163-L167 VanDerWaalsContact O-CG 3.32Å; E163-L167 WeakPolarHBondContact O-CG 3.23Å; E163-L167 PolarHBondContact O-N 2.66Å; E163-A184 HydrophobicContact CG-CB 3.81Å; E163-R186 IonicContact OE1-CZ 3.65Å; E163-R186 IonicContact OE1-NE 2.84Å; E163-R186 PolarHBondContact OE1-NE 3.07Å; E163-R186 VanDerWaalsContact OE1-NE 3.11Å; E163-R186 IonicContact OE1-NH2 3.43Å; E163-R186 PolarHBondContact OE1-NH2 3.45Å; E163-R186 IonicContact OE2-NE 3.11Å; E163-R186 PolarHBondContact OE2-NE 3.49Å
164K95.9Very high96.2Very high122 Ų12242 Ų4253%0.5324%0.238SC..Hα-helixtrans-58.5-44173.3-73.3-175.8175.8-172.90112K160 M161 A162 A168K160-K164 PolarHBondContact O-N 3.03Å; M161-K164 PolarHBondContact O-N 2.93Å; M161-K164 HydrophobicContact SD-CD 4.32Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.08Å; K164-A168 VanDerWaalsContact O-CB 3.26Å; K164-A168 WeakPolarHBondContact O-CB 3.31Å; K164-A168 PolarHBondContact O-N 3.39Å
165A98.4Very high96.4Very high23 Ų2347.6 Ų47.619%0.1926%0.26CS..Hα-helixtrans-64.6-41.8178.100000112.2L102 Q106 L109 M161 A162 E163 A168 A169L102-A165 HydrophobicContact CD1-CB 4.49Å; Q106-A165 HydrophobicContact CG-CB 4.15Å; L109-A165 HydrophobicContact CD1-CB 4.42Å; M161-A165 PolarHBondContact O-N 3.01Å; M161-A165 VanDerWaalsContact O-N 3.07Å; A162-A165 WeakPolarHBondContact O-CB 3.46Å; A162-A165 PolarHBondContact O-N 2.95Å; A162-A165 VanDerWaalsContact O-N 3.11Å; E163-A165 VanDerWaalsContact C-N 3.32Å; E163-A165 PolarHBondContact O-N 2.87Å; A165-A168 PolarHBondContact O-N 2.87Å; A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 2.94Å; A165-A169 VanDerWaalsContact O-N 3.08Å
166V98.6Very high96.5Very high0 Ų051.4 Ų51.40%028%0.282CS..Hα-helixtrans-61.4-52.8176.5171.60000110.3T105 L109 F120 Y122 A162 E163 A168 A169 N170 T182T105-V166 HydrophobicContact CG2-CG2 3.68Å; L109-V166 HydrophobicContact CD1-CG2 4.07Å; L109-V166 HydrophobicContact CD2-CG2 4.48Å; F120-V166 HydrophobicContact CD1-CG1 4.15Å; F120-V166 HydrophobicContact CD1-CG2 4.41Å; F120-V166 HydrophobicContact CE1-CG1 4.34Å; F120-V166 HydrophobicContact CE1-CG2 3.82Å; Y122-V166 HydrophobicContact CD1-CG2 4.17Å; Y122-V166 HydrophobicContact CD2-CG2 4.39Å; Y122-V166 HydrophobicContact CG-CG2 3.93Å; A162-V166 VanDerWaalsContact O-CG2 3.3Å; A162-V166 WeakPolarHBondContact O-CG2 3.3Å; A162-V166 PolarHBondContact O-N 3.28Å; E163-V166 PolarHBondContact O-N 3.27Å; V166-A168 VanDerWaalsContact C-N 3.3Å; V166-A168 PolarHBondContact O-N 3.39Å; V166-A169 WeakPolarHBondContact O-CB 3.36Å; V166-A169 PolarHBondContact O-N 2.97Å; V166-N170 PolarHBondContact O-N 3.14Å; V166-T182 PolarHBondContact O-OG1 3.39Å
167L97.4Very high96.8Very high93 Ų9353.9 Ų53.949%0.48731%0.31SS..Hα-helixtrans-62.1-37-179.7-66.4174.9000112.3E163 A169 N170E163-L167 HydrophobicContact CG-CD1 4.04Å; E163-L167 HydrophobicContact CG-CG 4.42Å; E163-L167 VanDerWaalsContact O-CG 3.32Å; E163-L167 WeakPolarHBondContact O-CG 3.23Å; E163-L167 PolarHBondContact O-N 2.66Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 2.74Å; L167-N170 VanDerWaalsContact O-CB 3.26Å; L167-N170 WeakPolarHBondContact O-CB 3.38Å; L167-N170 PolarHBondContact O-N 3.25Å
168A98.2Very high97Very high83 Ų8351.8 Ų51.869%0.68631%0.31SS*.Hα-helixtrans-67.7-28.1175.500000113.3K164 A165 V166 N170K164-A168 VanDerWaalsContact O-CB 3.26Å; K164-A168 WeakPolarHBondContact O-CB 3.31Å; K164-A168 PolarHBondContact O-N 3.39Å; A165-A168 PolarHBondContact O-N 2.87Å; V166-A168 VanDerWaalsContact C-N 3.3Å; V166-A168 PolarHBondContact O-N 3.39Å; A168-N170 VanDerWaalsContact C-N 3.3Å
169A98.4Very high97.2Very high15 Ų1554.4 Ų54.412%0.12433%0.326CS..Hα-helixtrans-78.4-14.1176.700000113.1L109 A165 V166 L167 G171 S172 L180 T182L109-A169 HydrophobicContact CD1-CB 4.18Å; L109-A169 HydrophobicContact CD2-CB 4.03Å; A165-A169 WeakPolarHBondContact O-CB 3.4Å; A165-A169 PolarHBondContact O-N 2.94Å; A165-A169 VanDerWaalsContact O-N 3.08Å; V166-A169 WeakPolarHBondContact O-CB 3.36Å; V166-A169 PolarHBondContact O-N 2.97Å; L167-A169 VanDerWaalsContact C-N 3.3Å; L167-A169 PolarHBondContact O-N 2.74Å; A169-G171 PolarHBondContact O-N 3.08Å; A169-S172 WeakPolarHBondContact O-CB 3.36Å; A169-S172 PolarHBondContact O-N 2.87Å; A169-S172 VanDerWaalsContact O-N 3.11Å; A169-S172 PolarHBondContact O-OG 3.2Å; A169-L180 HydrophobicContact CB-CD2 4.33Å; A169-T182 HydrophobicContact CB-CG2 4.36Å
170N98.6Very high97.3Very high81 Ų8154.2 Ų54.243%0.43333%0.325SS..THydrogen-bonded Turntrans-58.9129.3175.7-167.555.9000111.2V166 L167 A168 H181 T182V166-N170 PolarHBondContact O-N 3.14Å; L167-N170 VanDerWaalsContact O-CB 3.26Å; L167-N170 WeakPolarHBondContact O-CB 3.38Å; L167-N170 PolarHBondContact O-N 3.25Å; A168-N170 VanDerWaalsContact C-N 3.3Å; N170-H181 WeakPolarHBondContact OD1-CA 3.32Å; N170-T182 HydrophobicContact CB-CG2 4.47Å; N170-T182 WeakPolarHBondContact CB-OG1 3.46Å; N170-T182 PolarHBondContact OD1-N 3.17Å
171G98.3Very high97.6Very high42 Ų4257.5 Ų57.543%0.43334%0.341SS..THydrogen-bonded Turntrans88.13-177.100000114.5A169 I173 L180A169-G171 PolarHBondContact O-N 3.08Å; G171-I173 PolarHBondContact O-N 2.86Å; G171-L180 PolarHBondContact N-O 3.47Å
172S98.3Very high97.7Very high40 Ų4055.7 Ų55.728%0.2833%0.333SS..EExtended strand (participates in β ladder)trans-59.9135.5175.1-61.90000111.2A169 T179 L180A169-S172 WeakPolarHBondContact O-CB 3.36Å; A169-S172 PolarHBondContact O-N 2.87Å; A169-S172 VanDerWaalsContact O-N 3.11Å; A169-S172 PolarHBondContact O-OG 3.2Å; S172-T179 WeakPolarHBondContact O-CA 3.44Å; S172-L180 PolarHBondContact O-N 3.02Å
173I98.2Very high97.7Very high134 Ų13458.3 Ų58.369%0.68735%0.351SS*.EExtended strand (participates in β ladder)trans-76.6125.6177.5-60.2171.7000109.1G171G171-I173 PolarHBondContact O-N 2.86Å
174L98Very high97.7Very high6 Ų659.2 Ų59.23%0.03136%0.359CS..PPolyproline II helixtrans-80.4157174.8-58.7178.9000110.5N116 P118 N176 G177 G178 L180N116-L174 HydrophobicContact CB-CB 4.46Å; N116-L174 HydrophobicContact CB-CD1 4.47Å; P118-L174 HydrophobicContact CB-CD1 4.32Å; L174-N176 WeakPolarHBondContact CB-OD1 3.47Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-N176 VanDerWaalsContact O-N 3.14Å; L174-G177 PolarHBondContact O-N 3.18Å; L174-G178 WeakPolarHBondContact CB-O 3.2Å; L174-G178 PolarHBondContact N-O 3.45Å; L174-L180 HydrophobicContact CD2-CB 3.98Å
175K94.9Very high97.8Very high146 Ų14657.2 Ų57.264%0.63535%0.354SS*.THydrogen-bonded Turntrans-62.1-24.1-179.5-60.2176.5179.9163.90113.3E114 N116 G177E114-K175 PolarHBondContact O-NZ 3.27Å; N116-K175 WeakPolarHBondContact OD1-CA 3.32Å; N116-K175 VanDerWaalsContact OD1-CB 3.3Å; N116-K175 WeakPolarHBondContact OD1-CB 3.46Å; N116-K175 PolarHBondContact OD1-N 3.34Å; K175-G177 VanDerWaalsContact C-N 3.28Å
176N95.7Very high97.5Very high108 Ų10859 Ų5958%0.57836%0.356SS*.THydrogen-bonded Turntrans-85.56.9174.769.4-8000113.7N116 L174 G178N116-N176 HydrophobicContact CB-CB 4.44Å; N116-N176 PolarHBondContact OD1-N 3.18Å; L174-N176 WeakPolarHBondContact CB-OD1 3.47Å; L174-N176 PolarHBondContact O-N 2.84Å; L174-N176 VanDerWaalsContact O-N 3.14Å; N176-G178 VanDerWaalsContact C-N 3.27Å; N176-G178 PolarHBondContact O-N 3.35Å; N176-G178 PolarHBondContact OD1-N 3.11Å
177G96.5Very high97.2Very high62 Ų6261.6 Ų61.664%0.63937%0.369SS*.SBendtrans80.80-177.200000114.8L174 K175L174-G177 PolarHBondContact O-N 3.18Å; K175-G177 VanDerWaalsContact C-N 3.28Å
178G97.5Very high96.8Very high28 Ų2861 Ų6129%0.28937%0.373SS..  trans-76.4-174.9171.100000112.9L174 N176L174-G178 WeakPolarHBondContact CB-O 3.2Å; L174-G178 PolarHBondContact N-O 3.45Å; N176-G178 VanDerWaalsContact C-N 3.27Å; N176-G178 PolarHBondContact O-N 3.35Å; N176-G178 PolarHBondContact OD1-N 3.11Å
179T98.4Very high95.9Very high55 Ų5564.3 Ų64.334%0.33737%0.372SS..EExtended strand (participates in β ladder)trans-123.9137.6-178.1-560000110.5S172S172-T179 WeakPolarHBondContact O-CA 3.44Å
180L98.7Very high95.2Very high0 Ų067.5 Ų67.50%039%0.386CS..EExtended strand (participates in β ladder)trans-79.9117.5167.5178.463.2000109.7C112 V113 V117 F120 A169 G171 S172 L174 T182C112-L180 HydrophobicContact CB-CD1 4.37Å; V113-L180 HydrophobicContact CG2-CD2 3.8Å; V117-L180 VanDerWaalsContact O-CD1 3.26Å; V117-L180 WeakPolarHBondContact O-CD1 3.27Å; F120-L180 HydrophobicContact CB-CD1 4.15Å; A169-L180 HydrophobicContact CB-CD2 4.33Å; G171-L180 PolarHBondContact N-O 3.47Å; S172-L180 PolarHBondContact O-N 3.02Å; L174-L180 HydrophobicContact CD2-CB 3.98Å; L180-T182 HydrophobicContact CD1-CG2 4.4Å; L180-T182 HydrophobicContact CD2-CG2 4.03Å; L180-T182 HydrophobicContact CG-CG2 3.83Å
181H98.8Very high94Very high108 Ų10874.9 Ų74.950%0.541%0.409SS..EExtended strand (participates in β ladder)trans-99131.6169.9-62-75.2000109.8P118 T119 F120 N170P118-H181 PolarHBondContact O-N 3.23Å; T119-H181 CarbonylContact C-O 3.58Å; T119-H181 WeakPolarHBondContact CA-O 3.34Å; F120-H181 PolarHBondContact N-O 3.45Å; N170-H181 WeakPolarHBondContact OD1-CA 3.32Å
182T98.8Very high93.8Very high19 Ų1976.5 Ų76.512%0.11741%0.408CS..EExtended strand (participates in β ladder)trans-125.3150.5-179.478.10000111.7L109 F120 V166 A169 N170 L180L109-T182 HydrophobicContact CD2-CG2 4.4Å; F120-T182 HydrophobicContact CB-CG2 4.1Å; F120-T182 CarbonylContact O-C 3.58Å; F120-T182 VanDerWaalsContact O-CA 3.24Å; F120-T182 WeakPolarHBondContact O-CA 3.47Å; V166-T182 PolarHBondContact O-OG1 3.39Å; A169-T182 HydrophobicContact CB-CG2 4.36Å; N170-T182 HydrophobicContact CB-CG2 4.47Å; N170-T182 WeakPolarHBondContact CB-OG1 3.46Å; N170-T182 PolarHBondContact OD1-N 3.17Å; L180-T182 HydrophobicContact CD1-CG2 4.4Å; L180-T182 HydrophobicContact CD2-CG2 4.03Å; L180-T182 HydrophobicContact CG-CG2 3.83Å
183C97.4Very high93.5Very high55 Ų5578.4 Ų78.437%0.37242%0.415SS..EExtended strand (participates in β ladder)trans-140.6143.3173.61770000110F120 Y122F120-C183 PolarHBondContact O-N 2.82Å; Y122-C183 PolarHBondContact N-O 2.69Å
184A97.2Very high93.3Very high24 Ų2475.3 Ų75.320%0.19840%0.4CS..EExtended strand (participates in β ladder)trans-117.5116.6173.600000110.5Y122 E163Y122-A184 HydrophobicContact CD1-CB 4.18Å; E163-A184 HydrophobicContact CG-CB 3.81Å
185L96.4Very high93Very high80 Ų8079.4 Ų79.442%0.41942%0.422SS..EExtended strand (participates in β ladder)trans-97.9111.4179.9-57.7178.8000109.6I121 Y122 S124 L187I121-L185 HydrophobicContact CG2-CD1 3.77Å; I121-L185 HydrophobicContact CG2-CG 4.22Å; Y122-L185 PolarHBondContact O-N 2.88Å; S124-L185 CarbonylContact C-O 3.55Å; S124-L185 VanDerWaalsContact CA-O 3.26Å; S124-L185 WeakPolarHBondContact CA-O 3.18Å; S124-L185 WeakPolarHBondContact CB-O 3.48Å; S124-L185 PolarHBondContact N-O 2.72Å; L185-L187 HydrophobicContact CB-CD2 3.9Å; L185-L187 HydrophobicContact CB-CG 4.5Å; L185-L187 PolarHBondContact O-N 3.25Å
186R93.9Very high92.8Very high61 Ų6175.3 Ų75.323%0.2341%0.408CS..EExtended strand (participates in β ladder)trans-77.586.4177.5-65.5-178.2-178.4165.18.6110.3V126 V128 E143 E163V126-R186 WeakPolarHBondContact CG1-O 3.34Å; V128-R186 HydrophobicContact CG2-CG 3.86Å; V128-R186 VanDerWaalsContact CG2-NE 3.31Å; E143-R186 VanDerWaalsContact CG-NH1 3.33Å; E163-R186 IonicContact OE1-CZ 3.65Å; E163-R186 IonicContact OE1-NE 2.84Å; E163-R186 PolarHBondContact OE1-NE 3.07Å; E163-R186 VanDerWaalsContact OE1-NE 3.11Å; E163-R186 IonicContact OE1-NH2 3.43Å; E163-R186 PolarHBondContact OE1-NH2 3.45Å; E163-R186 IonicContact OE2-NE 3.11Å; E163-R186 PolarHBondContact OE2-NE 3.49Å
187L92.4Very high92.7Very high54 Ų5473.1 Ų73.128%0.28340%0.397SS..EExtended strand (participates in β ladder)trans-73.7140-175.9-53.6-176.7000112.1L15 S124 S125 V126 L185 I190L15-L187 HydrophobicContact CD2-CD1 3.48Å; L15-L187 VanDerWaalsContact CD2-CD1 3.48Å; S124-L187 PolarHBondContact O-N 3.21Å; S125-L187 WeakPolarHBondContact CA-O 3.45Å; V126-L187 PolarHBondContact N-O 3.19Å; L185-L187 HydrophobicContact CB-CD2 3.9Å; L185-L187 HydrophobicContact CB-CG 4.5Å; L185-L187 PolarHBondContact O-N 3.25Å; L187-I190 HydrophobicContact CD1-CD1 4.09Å
188S87.3Confident92.4Very high80 Ų8073.9 Ų73.956%0.55938%0.38SS*.  trans-88.9-168.4170.666.40000111I190S188-I190 WeakPolarHBondContact O-CG1 3.39Å; S188-I190 PolarHBondContact O-N 3.29Å
189F80.3Confident92Very high152 Ų15277.4 Ų77.467%0.66739%0.387SS*.  trans-61.2128176.4-57.7-74.2000110.9Y191F189-Y191 HydrophobicContact CB-CE2 3.77Å
190I82.8Confident91.5Very high82 Ų8279.3 Ų79.342%0.42139%0.391SS..  trans-106.5123.3-179.7-45.8178.8000107.4F14 L15 L187 S188F14-I190 HydrophobicContact CD1-CG2 4.3Å; F14-I190 HydrophobicContact CE1-CB 4.36Å; F14-I190 HydrophobicContact CE1-CG2 3.8Å; L15-I190 HydrophobicContact CB-CD1 4.3Å; L15-I190 HydrophobicContact CD1-CD1 4.09Å; L15-I190 HydrophobicContact CD2-CD1 3.92Å; L15-I190 HydrophobicContact CG-CD1 4.33Å; L187-I190 HydrophobicContact CD1-CD1 4.09Å; S188-I190 WeakPolarHBondContact O-CG1 3.39Å; S188-I190 PolarHBondContact O-N 3.29Å
191Y73.6Confident90.8Very high236 Ų23686.5 Ų86.593%0.92543%0.426SS*.  trans-105.20-178-59.7-86.6000112F14 F189F14-Y191 WeakPolarHBondContact CZ-OXT 3.32Å; F189-Y191 HydrophobicContact CB-CE2 3.77Å

Retrieved 191 of 191 residues in 37 ms (Link to these results)

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