A0A087YDI8_POEFO Loading...

Exosome complex component RRP45

AlphaFold DB , UniProt , Accession A0A087YDI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 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
1M61.9Low85.4Confident184 Ų184103.5 Ų103.591%0.90655%0.551SS**  0161.70-72.5176.9-162.900107.1P88M1-P88 CarbonylContact C-O 3.58Å; M1-P88 HydrophobicContact CB-CB 3.89Å; M1-P88 PolarHBondContact N-O 3.48Å
2K70.6Confident86.1Confident198 Ų198101.8 Ų101.886%0.86154%0.543SS*.PPolyproline II helixtrans-102.9142.9-172.3-161.1173.6-177.4179.90110.6
3D75.4Confident86.8Confident77 Ų77103.5 Ų103.541%0.41254%0.543SS..PPolyproline II helixtrans-54.6141.8173.4-81.9-31.2000111.9P5 A89D3-P5 WeakPolarHBondContact O-CD 2.93Å; D3-A89 WeakPolarHBondContact OD1-CB 3.35Å; D3-A89 VanDerWaalsContact OD2-CB 3.25Å; D3-A89 WeakPolarHBondContact OD2-CB 3.5Å
4T81.8Confident87.3Confident94 Ų9496.4 Ų96.458%0.57751%0.506SS*.PPolyproline II helixtrans-65121.417046.80000109R215T4-R215 PolarHBondContact O-NH1 3.46Å
5P86.9Confident87.7Confident124 Ų12492.7 Ų92.781%0.80549%0.486SS*.PPolyproline II helixtrans-67.8143177.628-33.7000110.4D3D3-P5 WeakPolarHBondContact O-CD 2.93Å
6L89.6Confident88.1Confident30 Ų3095.1 Ų95.116%0.15749%0.491CS..PPolyproline II helixtrans-78.2132.6175-169.373.6000110.3E10 R11 R215 V216L6-E10 HydrophobicContact CD1-CB 4.29Å; L6-E10 HydrophobicContact CD1-CG 3.92Å; L6-E10 VanDerWaalsContact CD1-OE2 3.32Å; L6-E10 WeakPolarHBondContact CD1-OE2 3.34Å; L6-R11 HydrophobicContact CD2-CB 3.95Å; L6-R215 HydrophobicContact CD2-CB 4.34Å; L6-V216 HydrophobicContact CD2-CG2 3.5Å
7S95.3Very high88.4Confident66 Ų6690.6 Ų90.646%0.46247%0.471SS..PPolyproline II helixtrans-70.3143.6174.8179.40000111.3C9 E10 R11S7-C9 PolarHBondContact O-N 3.36Å; S7-C9 PolarHBondContact OG-N 3.3Å; S7-E10 PolarHBondContact O-N 3.38Å; S7-E10 VanDerWaalsContact O-N 3.16Å; S7-R11 PolarHBondContact O-N 3.03Å
8N95.2Very high88.6Confident109 Ų10986 Ų8658%0.58345%0.447SS*.Hα-helixtrans-60-37.9174.4-67.6-22.8000111.6E10 R11 D12N8-E10 VanDerWaalsContact C-N 3.3Å; N8-E10 PolarHBondContact O-N 3.35Å; N8-R11 PolarHBondContact O-N 3.03Å; N8-D12 WeakPolarHBondContact O-CB 3.42Å; N8-D12 VanDerWaalsContact O-CG 3.25Å; N8-D12 PolarHBondContact O-N 3.46Å
9C95.6Very high88.8Confident96 Ų9686.7 Ų86.765%0.64945%0.448SS*.Hα-helixtrans-61.8-40.8177.2-179.40000111.5S7 F13S7-C9 PolarHBondContact O-N 3.36Å; S7-C9 PolarHBondContact OG-N 3.3Å; C9-F13 WeakPolarHBondContact O-CB 3.26Å; C9-F13 PolarHBondContact O-N 3.28Å
10E93.1Very high89Confident55 Ų5588.6 Ų88.626%0.25746%0.455SS..Hα-helixtrans-68.9-43.8178.4-174.9169.5-16000111.5L6 S7 N8 F13 I14 R212L6-E10 HydrophobicContact CD1-CB 4.29Å; L6-E10 HydrophobicContact CD1-CG 3.92Å; L6-E10 VanDerWaalsContact CD1-OE2 3.32Å; L6-E10 WeakPolarHBondContact CD1-OE2 3.34Å; S7-E10 PolarHBondContact O-N 3.38Å; S7-E10 VanDerWaalsContact O-N 3.16Å; N8-E10 VanDerWaalsContact C-N 3.3Å; N8-E10 PolarHBondContact O-N 3.35Å; E10-F13 PolarHBondContact O-N 3.4Å; E10-I14 HydrophobicContact CG-CD1 3.93Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.12Å; E10-R212 VanDerWaalsContact OE1-CD 3.3Å; E10-R212 WeakPolarHBondContact OE1-CD 3.12Å; E10-R212 IonicContact OE1-CZ 2.75Å; E10-R212 IonicContact OE1-NE 3.36Å; E10-R212 PolarHBondContact OE1-NE 3.22Å; E10-R212 IonicContact OE1-NH1 3.29Å; E10-R212 PolarHBondContact OE1-NH1 3Å
11R93.9Very high89Confident105 Ų10591.5 Ų91.540%0.39646%0.464SS..Hα-helixtrans-56.6-52.1174.1-178.9-175.6-65.4163.20.8111.6L6 S7 N8 F13 I14 L15 V216L6-R11 HydrophobicContact CD2-CB 3.95Å; S7-R11 PolarHBondContact O-N 3.03Å; N8-R11 PolarHBondContact O-N 3.03Å; R11-F13 VanDerWaalsContact C-N 3.29Å; R11-F13 PolarHBondContact O-N 3.37Å; R11-I14 PolarHBondContact O-N 2.89Å; R11-L15 HydrophobicContact CG-CD1 4.15Å; R11-L15 WeakPolarHBondContact O-CG 3.42Å; R11-L15 PolarHBondContact O-N 2.79Å; R11-V216 HydrophobicContact CB-CG2 4.46Å; R11-V216 HydrophobicContact CG-CG1 4.14Å; R11-V216 HydrophobicContact CG-CG2 4.14Å
12D94.4Very high90.4Very high84 Ų8488.8 Ų88.845%0.44945%0.447SS..Hα-helixtrans-65.7-35.3-177.4-67.7-14.1000111.5N8 K16N8-D12 WeakPolarHBondContact O-CB 3.42Å; N8-D12 VanDerWaalsContact O-CG 3.25Å; N8-D12 PolarHBondContact O-N 3.46Å; D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 VanDerWaalsContact O-CG 3.29Å; D12-K16 WeakPolarHBondContact O-CG 3.49Å; D12-K16 PolarHBondContact O-N 3.36Å
13F95.3Very high91.4Very high124 Ų12480.1 Ų80.154%0.54441%0.409SS..Hα-helixtrans-65.3-45.9175.1-179.5-101.1000111.9C9 E10 R11 L15 K16 A17 L24C9-F13 WeakPolarHBondContact O-CB 3.26Å; C9-F13 PolarHBondContact O-N 3.28Å; E10-F13 PolarHBondContact O-N 3.4Å; R11-F13 VanDerWaalsContact C-N 3.29Å; R11-F13 PolarHBondContact O-N 3.37Å; F13-L15 PolarHBondContact O-N 3.14Å; F13-K16 PolarHBondContact O-N 3.47Å; F13-A17 WeakPolarHBondContact O-CB 3.42Å; F13-A17 PolarHBondContact O-N 3.16Å; F13-L24 HydrophobicContact CD1-CD2 4.24Å; F13-L24 HydrophobicContact CE1-CD2 3.8Å
14I93.7Very high92Very high4 Ų479.9 Ų79.92%0.02141%0.407CS..Hα-helixtrans-61.9-44.8177.6-69.3167.9000110.5E10 R11 K16 A17 I18 L24 R212 V216E10-I14 HydrophobicContact CG-CD1 3.93Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.39Å; E10-I14 PolarHBondContact O-N 3.12Å; R11-I14 PolarHBondContact O-N 2.89Å; I14-K16 PolarHBondContact O-N 3.48Å; I14-A17 PolarHBondContact O-N 3.35Å; I14-I18 HydrophobicContact CG2-CD1 3.76Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.36Å; I14-L24 HydrophobicContact CD1-CD1 4.18Å; I14-L24 HydrophobicContact CG1-CD1 4.04Å; I14-R212 HydrophobicContact CD1-CB 3.98Å; I14-V216 HydrophobicContact CD1-CG2 4.24Å; I14-V216 HydrophobicContact CG2-CB 4.41Å; I14-V216 HydrophobicContact CG2-CG1 4.3Å; I14-V216 HydrophobicContact CG2-CG2 4.44Å
15L92.9Very high92.3Very high41 Ų4179.6 Ų79.622%0.21540%0.403CS..Hα-helixtrans-61.2-44.9178.4-71.6173.4000112R11 F13 A17 I18 E19 F199 V216R11-L15 HydrophobicContact CG-CD1 4.15Å; R11-L15 WeakPolarHBondContact O-CG 3.42Å; R11-L15 PolarHBondContact O-N 2.79Å; F13-L15 PolarHBondContact O-N 3.14Å; L15-A17 PolarHBondContact O-N 2.89Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-E19 WeakPolarHBondContact O-CG 3.19Å; L15-E19 PolarHBondContact O-N 3.4Å; L15-F199 HydrophobicContact CD2-CD1 4.36Å; L15-V216 HydrophobicContact CD1-CG1 4.28Å; L15-V216 HydrophobicContact CD2-CG1 3.48Å; L15-V216 VanDerWaalsContact CD2-CG1 3.48Å; L15-V216 HydrophobicContact CG-CG1 3.64Å
16K93.6Very high92.3Very high131 Ų13177 Ų7757%0.5740%0.398SS*.Hα-helixtrans-63.4-39.9175.6-73.8173.6-177.4175.70112.5D12 F13 I14 I18 E19 E20D12-K16 WeakPolarHBondContact O-CB 3.45Å; D12-K16 VanDerWaalsContact O-CG 3.29Å; D12-K16 WeakPolarHBondContact O-CG 3.49Å; D12-K16 PolarHBondContact O-N 3.36Å; F13-K16 PolarHBondContact O-N 3.47Å; I14-K16 PolarHBondContact O-N 3.48Å; K16-I18 VanDerWaalsContact C-N 3.31Å; K16-I18 PolarHBondContact O-N 3.19Å; K16-E19 WeakPolarHBondContact O-CB 3.29Å; K16-E19 PolarHBondContact O-N 3.17Å; K16-E20 PolarHBondContact O-N 3.03Å; K16-E20 VanDerWaalsContact O-N 3.17Å
17A93.7Very high92.4Very high18 Ų1877.6 Ų77.615%0.14940%0.398CS..Hα-helixtrans-63.1-39.8176.300000111.7F13 I14 L15 E20 K21 K22F13-A17 WeakPolarHBondContact O-CB 3.42Å; F13-A17 PolarHBondContact O-N 3.16Å; I14-A17 PolarHBondContact O-N 3.35Å; L15-A17 PolarHBondContact O-N 2.89Å; A17-E20 CarbonylContact O-C 3.47Å; A17-E20 PolarHBondContact O-N 3.13Å; A17-K21 PolarHBondContact O-N 2.96Å; A17-K21 VanDerWaalsContact O-N 3.13Å; A17-K22 CarbonylContact C-O 3.34Å; A17-K22 PolarHBondContact O-N 3.2Å; A17-K22 VanDerWaalsContact O-O 3.1Å
18I92.8Very high92.2Very high8 Ų880.9 Ų80.94%0.04141%0.406CS..Hα-helixtrans-66.2-37.1176.3-68.9169000111.4I14 L15 K16 E20 K21 F199 F204 L206I14-I18 HydrophobicContact CG2-CD1 3.76Å; I14-I18 HydrophobicContact CG2-CG1 4.45Å; I14-I18 VanDerWaalsContact O-CG1 3.28Å; I14-I18 WeakPolarHBondContact O-CG1 3.47Å; I14-I18 PolarHBondContact O-N 3.36Å; L15-I18 PolarHBondContact O-N 2.93Å; K16-I18 VanDerWaalsContact C-N 3.31Å; K16-I18 PolarHBondContact O-N 3.19Å; I18-E20 VanDerWaalsContact C-N 3.27Å; I18-E20 PolarHBondContact O-N 3.28Å; I18-K21 WeakPolarHBondContact O-CA 3.16Å; I18-K21 PolarHBondContact O-N 3.46Å; I18-F199 HydrophobicContact CD1-CD1 3.54Å; I18-F199 HydrophobicContact CD1-CD2 3.93Å; I18-F199 HydrophobicContact CD1-CE1 3.48Å; I18-F199 VanDerWaalsContact CD1-CE1 3.48Å; I18-F199 HydrophobicContact CD1-CE2 3.9Å; I18-F199 HydrophobicContact CD1-CG 3.76Å; I18-F199 HydrophobicContact CD1-CZ 3.68Å; I18-F199 HydrophobicContact CG2-CB 4.2Å; I18-F199 HydrophobicContact CG2-CD2 4.25Å; I18-F199 HydrophobicContact CG2-CG 4.22Å; I18-F204 HydrophobicContact CG2-CB 3.65Å; I18-F204 HydrophobicContact CG2-CD1 4.39Å; I18-F204 HydrophobicContact CG2-CD2 4.12Å; I18-F204 HydrophobicContact CG2-CG 3.8Å; I18-L206 HydrophobicContact CD1-CD2 4.48Å; I18-L206 HydrophobicContact CG1-CD2 4.42Å; I18-L206 HydrophobicContact CG2-CD1 4.06Å
19E91.7Very high92.1Very high100 Ų10077 Ų7747%0.46739%0.387SS..Hα-helixtrans-59.4-39.2172.4-72.5175.1-176.700112L15 K16 K21 Q200 F204L15-E19 WeakPolarHBondContact O-CG 3.19Å; L15-E19 PolarHBondContact O-N 3.4Å; K16-E19 WeakPolarHBondContact O-CB 3.29Å; K16-E19 PolarHBondContact O-N 3.17Å; E19-K21 PolarHBondContact O-N 3.46Å; E19-Q200 PolarHBondContact OE1-NE2 3.37Å; E19-F204 HydrophobicContact CB-CZ 4.29Å; E19-F204 HydrophobicContact CG-CE2 3.96Å; E19-F204 HydrophobicContact CG-CZ 4.19Å
20E91.9Very high91.9Very high123 Ų12376.9 Ų76.958%0.57537%0.373SS*.THydrogen-bonded Turntrans-77.90.3173.1-66-172.1-171.100114.1K16 A17 I18 K22K16-E20 PolarHBondContact O-N 3.03Å; K16-E20 VanDerWaalsContact O-N 3.17Å; A17-E20 CarbonylContact O-C 3.47Å; A17-E20 PolarHBondContact O-N 3.13Å; I18-E20 VanDerWaalsContact C-N 3.27Å; I18-E20 PolarHBondContact O-N 3.28Å; E20-K22 HydrophobicContact CB-CD 4.38Å; E20-K22 HydrophobicContact CB-CG 4.39Å; E20-K22 PolarHBondContact O-N 3.27Å; E20-K22 IonicContact OE2-NZ 2.79Å; E20-K22 PolarHBondContact OE2-NZ 3.34Å
21K90.3Very high91.9Very high150 Ų15076.9 Ų76.965%0.65238%0.375SS*.THydrogen-bonded Turntrans57.732.2-174.5-53.4-178.6-178.21770114A17 I18 E19 T29A17-K21 PolarHBondContact O-N 2.96Å; A17-K21 VanDerWaalsContact O-N 3.13Å; I18-K21 WeakPolarHBondContact O-CA 3.16Å; I18-K21 PolarHBondContact O-N 3.46Å; E19-K21 PolarHBondContact O-N 3.46Å; K21-T29 HydrophobicContact CB-CG2 4.44Å
22K91.7Very high91.8Very high127 Ų12773.3 Ų73.355%0.55236%0.362SS*.  trans-108.3138175-65.6175.9-171.6154.20109.9A17 E20A17-K22 CarbonylContact C-O 3.34Å; A17-K22 PolarHBondContact O-N 3.2Å; A17-K22 VanDerWaalsContact O-O 3.1Å; E20-K22 HydrophobicContact CB-CD 4.38Å; E20-K22 HydrophobicContact CB-CG 4.39Å; E20-K22 PolarHBondContact O-N 3.27Å; E20-K22 IonicContact OE2-NZ 2.79Å; E20-K22 PolarHBondContact OE2-NZ 3.34Å
23R91.5Very high91.8Very high17 Ų1770.1 Ų70.16%0.06434%0.343CS..  trans-100.6156.5173.6-63.4-173.673172.52.2110.8D25 G26 Q28 D31 L206 V207 D208 E213R23-D25 PolarHBondContact O-N 3.06Å; R23-G26 PolarHBondContact O-N 3.41Å; R23-Q28 WeakPolarHBondContact CD-O 3.34Å; R23-D31 PolarHBondContact NH1-O 2.82Å; R23-L206 HydrophobicContact CG-CD2 4.27Å; R23-V207 PolarHBondContact NH1-O 3.49Å; R23-D208 PolarHBondContact NH2-O 3.26Å; R23-E213 IonicContact CZ-OE1 3.28Å; R23-E213 IonicContact CZ-OE2 3.08Å; R23-E213 IonicContact NE-OE1 3.45Å; R23-E213 PolarHBondContact NE-OE1 2.92Å; R23-E213 IonicContact NE-OE2 2.67Å; R23-E213 IonicContact NH2-OE1 3.68Å; R23-E213 PolarHBondContact NH2-OE1 3.36Å; R23-E213 IonicContact NH2-OE2 3.53Å; R23-E213 PolarHBondContact NH2-OE2 3.47Å
24L88.1Confident91.6Very high71 Ų7173.2 Ų73.237%0.37236%0.357SS..THydrogen-bonded Turntrans-58.9-37.1176.9-67.4169.6000112.2F13 I14 G26 R212F13-L24 HydrophobicContact CD1-CD2 4.24Å; F13-L24 HydrophobicContact CE1-CD2 3.8Å; I14-L24 HydrophobicContact CD1-CD1 4.18Å; I14-L24 HydrophobicContact CG1-CD1 4.04Å; L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.35Å; L24-R212 HydrophobicContact CD1-CB 4.49Å
25D86.5Confident91.6Very high89 Ų8974.4 Ų74.448%0.47636%0.363SS..THydrogen-bonded Turntrans-84.4-2.8-177.1-52.3-20.3000113.5R23 R27 C210R23-D25 PolarHBondContact O-N 3.06Å; D25-R27 VanDerWaalsContact C-N 3.26Å; D25-R27 HydrophobicContact CB-CG 4.27Å; D25-R27 PolarHBondContact O-N 2.96Å; D25-R27 IonicContact OD2-CZ 3.67Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 3.04Å; D25-R27 PolarHBondContact OD2-NH2 3.27Å; D25-C210 PolarHBondContact OD2-SG 3.49Å
26G87.4Confident91.6Very high69 Ų6976.5 Ų76.571%0.71137%0.37SS*.SBendtrans77.11.3-174.500000115.7R23 L24R23-G26 PolarHBondContact O-N 3.41Å; L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.35Å
27R91.3Very high91.6Very high43 Ų4371.5 Ų71.516%0.16235%0.349CS..  trans-71.5158.4175.2-65.1-177-71.4144.2-10.1112.3D25 D31 R33 D208 C210D25-R27 VanDerWaalsContact C-N 3.26Å; D25-R27 HydrophobicContact CB-CG 4.27Å; D25-R27 PolarHBondContact O-N 2.96Å; D25-R27 IonicContact OD2-CZ 3.67Å; D25-R27 IonicContact OD2-NE 3.46Å; D25-R27 PolarHBondContact OD2-NE 3.17Å; D25-R27 IonicContact OD2-NH2 3.04Å; D25-R27 PolarHBondContact OD2-NH2 3.27Å; R27-D31 PolarHBondContact NH1-O 3.08Å; R27-D31 VanDerWaalsContact NH1-O 3.15Å; R27-R33 VanDerWaalsContact NH1-CG 3.3Å; R27-R33 VanDerWaalsContact NH2-CG 3.33Å; R27-D208 IonicContact NH1-OD2 2.82Å; R27-D208 PolarHBondContact NH1-OD2 3.33Å; R27-C210 PolarHBondContact NH2-SG 2.92Å
28Q92.7Very high91.5Very high135 Ų13571.3 Ų71.363%0.63135%0.346SS*.  trans-74.9170.6170.4-52.5-172.58.800111.6R23 Y30 D31R23-Q28 WeakPolarHBondContact CD-O 3.34Å; Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 PolarHBondContact O-N 3.11Å; Q28-D31 VanDerWaalsContact CB-OD2 3.26Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Q28-D31 WeakPolarHBondContact CG-OD2 3.49Å; Q28-D31 PolarHBondContact N-OD2 3.3Å
29T91.3Very high91.5Very high28 Ų2871.5 Ų71.517%0.17235%0.347CS..THydrogen-bonded Turntrans-66-25.6-176.454.40000114K21 V207K21-T29 HydrophobicContact CB-CG2 4.44Å; T29-V207 PolarHBondContact O-N 2.89Å
30Y92.6Very high91.3Very high92 Ų9266.9 Ų66.936%0.36133%0.326SS..THydrogen-bonded Turntrans-109.47.1-174.6-53.7-42.1000113.8Q28 L205 V207 I253 K257Q28-Y30 VanDerWaalsContact C-N 3.26Å; Q28-Y30 PolarHBondContact O-N 3.11Å; Y30-L205 HydrophobicContact CD1-CD2 4.13Å; Y30-L205 HydrophobicContact CE1-CD2 3.57Å; Y30-V207 HydrophobicContact CD1-CG2 4.07Å; Y30-I253 HydrophobicContact CD1-CD1 4.08Å; Y30-I253 HydrophobicContact CE1-CD1 3.9Å; Y30-K257 WeakPolarHBondContact O-CE 3.46Å
31D91.8Very high91.1Very high55 Ų5565 Ų6529%0.29432%0.323SS..PPolyproline II helixtrans-95.6135.2-175-68.1-21.7000112.3R23 R27 Q28R23-D31 PolarHBondContact NH1-O 2.82Å; R27-D31 PolarHBondContact NH1-O 3.08Å; R27-D31 VanDerWaalsContact NH1-O 3.15Å; Q28-D31 VanDerWaalsContact CB-OD2 3.26Å; Q28-D31 WeakPolarHBondContact CB-OD2 3.23Å; Q28-D31 WeakPolarHBondContact CG-OD2 3.49Å; Q28-D31 PolarHBondContact N-OD2 3.3Å
32Y92.9Very high91.1Very high31 Ų3162.7 Ų62.712%0.12232%0.318CS..PPolyproline II helixtrans-76.5156.3171.1-91.1-86.8000111.8L50 D147 V194 V207 D208 K257 I261Y32-L50 HydrophobicContact CD1-CD1 4.07Å; Y32-D147 HydrophobicContact CE1-CB 4.42Å; Y32-D147 PolarHBondContact OH-OD2 2.89Å; Y32-V194 HydrophobicContact CE2-CG1 4.44Å; Y32-V194 WeakPolarHBondContact OH-CA 3.05Å; Y32-V194 WeakPolarHBondContact OH-CG1 3.41Å; Y32-V207 HydrophobicContact CD2-CG1 3.93Å; Y32-V207 HydrophobicContact CE2-CG1 3.48Å; Y32-V207 VanDerWaalsContact CE2-CG1 3.48Å; Y32-D208 HydrophobicContact CD1-CB 3.64Å; Y32-D208 HydrophobicContact CE1-CB 3.76Å; Y32-D208 HydrophobicContact CG-CB 4.23Å; Y32-K257 HydrophobicContact CD2-CB 4.32Å; Y32-K257 HydrophobicContact CD2-CD 4.21Å; Y32-K257 HydrophobicContact CD2-CG 4.15Å; Y32-K257 HydrophobicContact CE2-CB 3.86Å; Y32-K257 HydrophobicContact CE2-CG 3.95Å; Y32-I261 HydrophobicContact CE2-CD1 4.26Å
33R93.6Very high91.1Very high17 Ų1760.6 Ų60.66%0.06431%0.307CS..PPolyproline II helixtrans-63.1158.2161.7-72.1171.1-76.5-1802.1110.1R27 I35 L50 D142 G143 D208R27-R33 VanDerWaalsContact NH1-CG 3.3Å; R27-R33 VanDerWaalsContact NH2-CG 3.33Å; R33-I35 PolarHBondContact O-N 3.49Å; R33-I35 VanDerWaalsContact O-N 3.13Å; R33-L50 HydrophobicContact CB-CD1 3.95Å; R33-L50 HydrophobicContact CB-CG 4.28Å; R33-D142 PolarHBondContact NH1-O 3.36Å; R33-D142 IonicContact NH1-OD2 3.02Å; R33-D142 PolarHBondContact NH1-OD2 3.13Å; R33-G143 PolarHBondContact NH2-O 2.94Å; R33-D208 WeakPolarHBondContact CG-OD2 3.41Å; R33-D208 IonicContact CZ-OD1 3.38Å; R33-D208 IonicContact CZ-OD2 3.75Å; R33-D208 PolarHBondContact N-OD2 3.23Å; R33-D208 IonicContact NE-OD1 3.17Å; R33-D208 PolarHBondContact NE-OD1 2.77Å; R33-D208 IonicContact NE-OD2 2.69Å; R33-D208 PolarHBondContact NE-OD2 3.37Å; R33-D208 IonicContact NH2-OD1 3.13Å; R33-D208 PolarHBondContact NH2-OD1 2.87Å; R33-D208 IonicContact NH2-OD2 3.4Å
34K91.8Very high91.1Very high188 Ų18859.8 Ų59.882%0.81730%0.304SS*.PPolyproline II helixtrans-58.4119.6172.6-173.3174.8-176.8173.40109.1G51K34-G51 PolarHBondContact O-N 3.15Å; K34-G51 VanDerWaalsContact O-N 3.1Å
35I93.3Very high91.4Very high29 Ų2956.9 Ų56.915%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-93.2124.5176.1-58.3165.7000108.1R33 I37 V48 D49 L50 I261R33-I35 PolarHBondContact O-N 3.49Å; R33-I35 VanDerWaalsContact O-N 3.13Å; I35-I37 HydrophobicContact CG2-CG1 4.05Å; I35-V48 HydrophobicContact CG2-CG1 4.15Å; I35-D49 CarbonylContact C-O 3.59Å; I35-D49 WeakPolarHBondContact CA-O 3.28Å; I35-L50 HydrophobicContact CD1-CD1 4.19Å; I35-L50 HydrophobicContact CG1-CD1 3.47Å; I35-L50 VanDerWaalsContact CG1-CD1 3.47Å; I35-I261 HydrophobicContact CD1-CD1 4.19Å; I35-I261 HydrophobicContact CD1-CG1 3.89Å; I35-I261 HydrophobicContact CD1-CG2 4.43Å
36K92.8Very high91.7Very high86 Ų8652.6 Ų52.637%0.37427%0.267SS..EExtended strand (participates in β ladder)trans-117124.2169.9-177.6-176.5179-175.40108.7V48 D49 S287K36-V48 WeakPolarHBondContact O-CA 3.26Å; K36-D49 HydrophobicContact CB-CB 4.22Å; K36-D49 PolarHBondContact N-O 3.24Å; K36-D49 PolarHBondContact O-N 3.28Å; K36-S287 PolarHBondContact NZ-O 3.14Å
37I93.4Very high92.1Very high26 Ų2650.4 Ų50.413%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-108.3128.1176.9-54.9175.7000107.2I35 F39 F47 V48 V151 I265 A268I35-I37 HydrophobicContact CG2-CG1 4.05Å; I37-F39 HydrophobicContact CG2-CE1 4.24Å; I37-F39 HydrophobicContact CG2-CE2 4.28Å; I37-F39 HydrophobicContact CG2-CZ 3.88Å; I37-F47 WeakPolarHBondContact CA-O 3.39Å; I37-V48 HydrophobicContact CG1-CG2 4.39Å; I37-V151 HydrophobicContact CD1-CG1 3.96Å; I37-V151 HydrophobicContact CG1-CG1 4.42Å; I37-I265 HydrophobicContact CD1-CB 4.39Å; I37-I265 HydrophobicContact CD1-CG1 3.64Å; I37-A268 HydrophobicContact CB-CB 4.19Å; I37-A268 HydrophobicContact CG2-CB 4.36Å
38T91.9Very high92.3Very high13 Ų1348.4 Ų48.48%0.0823%0.23CC..EExtended strand (participates in β ladder)trans-130.7136.8179.5-560000108.9F47 F284 S287T38-F47 PolarHBondContact N-O 2.67Å; T38-F47 PolarHBondContact O-N 3.45Å; T38-F284 HydrophobicContact CG2-CD2 4.1Å; T38-S287 VanDerWaalsContact CG2-CB 3.44Å; T38-S287 WeakPolarHBondContact CG2-OG 3.3Å
39F92.4Very high92.4Very high12 Ų1243.1 Ų43.15%0.05321%0.206CC..EExtended strand (participates in β ladder)trans-98150.1176.7-59.4-74.2000111.3I37 C46 H159 A268 L269 D272 G283 F284I37-F39 HydrophobicContact CG2-CE1 4.24Å; I37-F39 HydrophobicContact CG2-CE2 4.28Å; I37-F39 HydrophobicContact CG2-CZ 3.88Å; F39-C46 HydrophobicContact CD1-CB 4.38Å; F39-H159 HydrophobicContact CD1-CB 3.86Å; F39-H159 AromaticContact CD1-CD2 3.97Å; F39-H159 AromaticContact CD1-CG 3.58Å; F39-H159 AromaticContact CD1-ND1 3.73Å; F39-H159 HydrophobicContact CE1-CB 3.84Å; F39-A268 HydrophobicContact CE2-CB 3.92Å; F39-A268 HydrophobicContact CZ-CB 4.27Å; F39-L269 HydrophobicContact CE1-CD2 3.87Å; F39-L269 HydrophobicContact CE2-CD2 4.32Å; F39-L269 HydrophobicContact CZ-CD2 3.53Å; F39-L269 HydrophobicContact CZ-CG 4.01Å; F39-D272 HydrophobicContact CD2-CB 3.62Å; F39-D272 HydrophobicContact CE2-CB 4.01Å; F39-D272 HydrophobicContact CG-CB 4.42Å; F39-G283 CarbonylContact O-C 3.55Å; F39-G283 WeakPolarHBondContact O-CA 3.25Å; F39-F284 PolarHBondContact O-N 2.76Å
40G89.1Confident92.5Very high4 Ų442 Ų424%0.04120%0.199CC..  trans-76.5176.9171.700000112.5D42 C45 R276G40-D42 VanDerWaalsContact C-N 3.3Å; G40-C45 PolarHBondContact N-O 2.97Å; G40-R276 PolarHBondContact O-NH2 3.28Å
41T87.9Confident92.4Very high82 Ų8239.7 Ų39.750%0.50320%0.204SC..SBendtrans-59.1-47.7169.648.30000110R276 C282T41-R276 PolarHBondContact O-NH1 3.39Å; T41-R276 PolarHBondContact O-NH2 3.14Å; T41-C282 WeakPolarHBondContact CG2-O 3.41Å
42D89.5Confident92.3Very high103 Ų10343.3 Ų43.355%0.55122%0.219SC*.SBendtrans-82144.6-174-50.8-17.5000110.8G40 G44 C45 H159G40-D42 VanDerWaalsContact C-N 3.3Å; D42-G44 PolarHBondContact O-N 2.72Å; D42-C45 PolarHBondContact O-N 3.04Å; D42-H159 PolarHBondContact O-CE1 3.08Å; D42-H159 VanDerWaalsContact O-CE1 3.28Å
43Y91Very high92.4Very high82 Ų8241.8 Ų41.832%0.32221%0.213SC..THydrogen-bonded Turntrans-64.3133.5175-67.4-70.4000110.5H159 R161 P182 R276Y43-H159 AromaticContact CD1-NE2 3.69Å; Y43-R161 HydrophobicContact CD1-CG 4.04Å; Y43-R161 HydrophobicContact CG-CB 4.39Å; Y43-R161 HydrophobicContact CG-CG 4.11Å; Y43-P182 HydrophobicContact CE2-CG 4.48Å; Y43-R276 VanDerWaalsContact CE1-NH1 3.33Å
44G91.3Very high92.4Very high0 Ų045.2 Ų45.20%023%0.226CC..THydrogen-bonded Turntrans86.54.4-177.200000116.1D42 Q58 V59 H159D42-G44 PolarHBondContact O-N 2.72Å; G44-Q58 WeakPolarHBondContact O-CA 3.44Å; G44-V59 PolarHBondContact O-N 3.1Å; G44-V59 VanDerWaalsContact O-N 3.09Å; G44-H159 PolarHBondContact N-ND1 3.39Å
45C94.3Very high92.6Very high10 Ų1036.3 Ų36.37%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-93.2124.2167.8-175.60000110.6G40 D42 F47 Q58 H159G40-C45 PolarHBondContact N-O 2.97Å; D42-C45 PolarHBondContact O-N 3.04Å; C45-F47 WeakPolarHBondContact SG-CE2 3.42Å; C45-Q58 VanDerWaalsContact CA-OE1 3.3Å; C45-H159 PolarHBondContact O-ND1 3.24Å
46C94.6Very high92.7Very high0 Ų037.1 Ų37.10%019%0.191CC..EExtended strand (participates in β ladder)trans-136.6133.7179.6-1740000111F39 M56 A57 A156F39-C46 HydrophobicContact CD1-CB 4.38Å; C46-M56 CarbonylContact O-C 3.6Å; C46-M56 WeakPolarHBondContact O-CA 3.32Å; C46-A57 PolarHBondContact N-O 2.75Å; C46-A57 PolarHBondContact O-N 2.74Å; C46-A156 HydrophobicContact CB-CB 3.81Å
47F94.8Very high92.9Very high23 Ų2333 Ų3310%0.10117%0.173CC..EExtended strand (participates in β ladder)trans-113128.3171.2-61.5-87.9000109I37 T38 C45 V55 M56 L139 F284I37-F47 WeakPolarHBondContact CA-O 3.39Å; T38-F47 PolarHBondContact N-O 2.67Å; T38-F47 PolarHBondContact O-N 3.45Å; C45-F47 WeakPolarHBondContact SG-CE2 3.42Å; F47-V55 WeakPolarHBondContact CA-O 3.48Å; F47-M56 HydrophobicContact CD1-CB 3.9Å; F47-M56 HydrophobicContact CD1-CG 3.95Å; F47-M56 HydrophobicContact CE1-CB 3.85Å; F47-M56 HydrophobicContact CE1-CE 4.32Å; F47-M56 HydrophobicContact CE1-CG 3.54Å; F47-M56 HydrophobicContact CE1-SD 3.56Å; F47-M56 VanDerWaalsContact CE1-SD 3.56Å; F47-M56 HydrophobicContact CZ-CE 4Å; F47-M56 HydrophobicContact CZ-CG 4.05Å; F47-M56 HydrophobicContact CZ-SD 3.86Å; F47-L139 HydrophobicContact CD1-CD1 4.28Å; F47-L139 HydrophobicContact CE1-CD1 4.28Å; F47-F284 HydrophobicContact CB-CD2 4.06Å; F47-F284 HydrophobicContact CB-CE2 4.18Å; F47-F284 HydrophobicContact CD1-CD2 4.14Å; F47-F284 HydrophobicContact CD1-CE2 4.16Å; F47-F284 HydrophobicContact CD2-CB 4.01Å; F47-F284 AromaticContact CD2-CD2 3.58Å; F47-F284 HydrophobicContact CD2-CD2 3.58Å; F47-F284 HydrophobicContact CD2-CE2 4.37Å; F47-F284 HydrophobicContact CD2-CG 4.03Å; F47-F284 HydrophobicContact CE2-CB 3.77Å; F47-F284 HydrophobicContact CE2-CD2 4.01Å; F47-F284 AromaticContact CE2-CG 3.99Å; F47-F284 HydrophobicContact CE2-CG 3.99Å; F47-F284 AromaticContact CG-CD2 3.65Å; F47-F284 HydrophobicContact CG-CD2 3.65Å; F47-F284 AromaticContact CG-CE2 3.98Å; F47-F284 HydrophobicContact CG-CE2 3.98Å; F47-F284 HydrophobicContact CG-CG 4.43Å; F47-F284 HydrophobicContact CZ-CB 4.45Å; F47-F284 HydrophobicContact CZ-CD2 4.46Å; F47-F284 HydrophobicContact CZ-CG 4.35Å
48V95.2Very high93Very high1 Ų134.4 Ų34.41%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-120.3120.5176.5179.60000108.8I35 K36 I37 R54 V55 V151 A152I35-V48 HydrophobicContact CG2-CG1 4.15Å; K36-V48 WeakPolarHBondContact O-CA 3.26Å; I37-V48 HydrophobicContact CG1-CG2 4.39Å; V48-R54 WeakPolarHBondContact O-CA 3.4Å; V48-V55 PolarHBondContact N-O 3.19Å; V48-V55 PolarHBondContact O-N 3.29Å; V48-V151 HydrophobicContact CG1-CB 4.39Å; V48-V151 HydrophobicContact CG1-CG1 4.06Å; V48-V151 HydrophobicContact CG2-CG1 4.09Å; V48-A152 HydrophobicContact CB-CB 4.12Å; V48-A152 HydrophobicContact CG2-CB 3.66Å
49D94.1Very high93.2Very high23 Ų2334 Ų3412%0.12318%0.176CC..EExtended strand (participates in β ladder)trans-104113.4172.2-68.7-11.2000108I35 K36 T53 R54I35-D49 CarbonylContact C-O 3.59Å; I35-D49 WeakPolarHBondContact CA-O 3.28Å; K36-D49 HydrophobicContact CB-CB 4.22Å; K36-D49 PolarHBondContact N-O 3.24Å; K36-D49 PolarHBondContact O-N 3.28Å; D49-T53 CarbonylContact C-O 3.49Å; D49-T53 WeakPolarHBondContact CA-O 3.32Å; D49-R54 WeakPolarHBondContact OD1-CD 3.43Å; D49-R54 WeakPolarHBondContact OD1-CG 3.42Å; D49-R54 IonicContact OD1-CZ 3.35Å; D49-R54 IonicContact OD1-NE 3.87Å; D49-R54 PolarHBondContact OD1-NE 2.99Å; D49-R54 IonicContact OD1-NH2 3.48Å; D49-R54 IonicContact OD2-CZ 2.74Å; D49-R54 IonicContact OD2-NE 3.88Å; D49-R54 IonicContact OD2-NH2 2.74Å; D49-R54 PolarHBondContact OD2-NH2 3.34Å
50L93.6Very high93.3Very high4 Ų435.4 Ų35.42%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-10586.3171.1179.967000107.9Y32 R33 I35 Q52 T53 N144 A148 D208Y32-L50 HydrophobicContact CD1-CD1 4.07Å; R33-L50 HydrophobicContact CB-CD1 3.95Å; R33-L50 HydrophobicContact CB-CG 4.28Å; I35-L50 HydrophobicContact CD1-CD1 4.19Å; I35-L50 HydrophobicContact CG1-CD1 3.47Å; I35-L50 VanDerWaalsContact CG1-CD1 3.47Å; L50-Q52 PolarHBondContact O-N 3Å; L50-T53 PolarHBondContact N-O 3Å; L50-T53 PolarHBondContact O-N 3.39Å; L50-N144 HydrophobicContact CD2-CB 4.19Å; L50-A148 HydrophobicContact CB-CB 4.25Å; L50-A148 HydrophobicContact CD2-CB 4.24Å; L50-D208 WeakPolarHBondContact CD2-OD1 3.26Å
51G90.6Very high93.5Very high44 Ų4436.8 Ų36.845%0.45420%0.196SC..THydrogen-bonded Turntrans61.3-107.7-168.200000111.4K34K34-G51 PolarHBondContact O-N 3.15Å; K34-G51 VanDerWaalsContact O-N 3.1Å
52Q90.9Very high93.8Very high131 Ų13138.3 Ų38.361%0.61220%0.198SC*.THydrogen-bonded Turntrans-96.6-18.7176-52.2-174.10.600113.1L50 R54 N140 D142L50-Q52 PolarHBondContact O-N 3Å; Q52-R54 PolarHBondContact O-N 3.48Å; Q52-N140 PolarHBondContact O-ND2 2.8Å; Q52-D142 HydrophobicContact CB-CB 3.73Å; Q52-D142 WeakPolarHBondContact CB-OD2 3.34Å
53T94.2Very high94Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-70.2124.3175.9-61.30000109.1D49 L50 V55 N140 D142 G143 L145 A148D49-T53 CarbonylContact C-O 3.49Å; D49-T53 WeakPolarHBondContact CA-O 3.32Å; L50-T53 PolarHBondContact N-O 3Å; L50-T53 PolarHBondContact O-N 3.39Å; T53-V55 HydrophobicContact CG2-CG2 4.42Å; T53-N140 WeakPolarHBondContact CA-O 3.44Å; T53-D142 VanDerWaalsContact OG1-C 3.24Å; T53-D142 WeakPolarHBondContact OG1-CA 3.17Å; T53-D142 PolarHBondContact OG1-N 3.29Å; T53-G143 PolarHBondContact OG1-O 3.3Å; T53-L145 HydrophobicContact CG2-CD1 4.43Å; T53-A148 HydrophobicContact CG2-CB 4.19Å
54R94.1Very high94.1Very high89 Ų8934.3 Ų34.334%0.33618%0.183SC..EExtended strand (participates in β ladder)trans-123.5127.8-178.6178.3175-71.8167.2-1.7110.3V48 D49 Q52 L139 N140V48-R54 WeakPolarHBondContact O-CA 3.4Å; D49-R54 WeakPolarHBondContact OD1-CD 3.43Å; D49-R54 WeakPolarHBondContact OD1-CG 3.42Å; D49-R54 IonicContact OD1-CZ 3.35Å; D49-R54 IonicContact OD1-NE 3.87Å; D49-R54 PolarHBondContact OD1-NE 2.99Å; D49-R54 IonicContact OD1-NH2 3.48Å; D49-R54 IonicContact OD2-CZ 2.74Å; D49-R54 IonicContact OD2-NE 3.88Å; D49-R54 IonicContact OD2-NH2 2.74Å; D49-R54 PolarHBondContact OD2-NH2 3.34Å; Q52-R54 PolarHBondContact O-N 3.48Å; R54-L139 HydrophobicContact CB-CB 4.2Å; R54-L139 HydrophobicContact CG-CB 3.93Å; R54-L139 HydrophobicContact CG-CD1 3.83Å; R54-L139 HydrophobicContact CG-CG 4.35Å; R54-L139 PolarHBondContact O-N 2.94Å; R54-N140 HydrophobicContact CB-CB 4.1Å; R54-N140 PolarHBondContact N-O 3.48Å; R54-N140 PolarHBondContact O-N 2.92Å; R54-N140 VanDerWaalsContact O-N 3.1Å
55V95.6Very high94.2Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-128.5136178.8-1770000109.4F47 V48 T53 V136 L145 A148 A152F47-V55 WeakPolarHBondContact CA-O 3.48Å; V48-V55 PolarHBondContact N-O 3.19Å; V48-V55 PolarHBondContact O-N 3.29Å; T53-V55 HydrophobicContact CG2-CG2 4.42Å; V55-V136 HydrophobicContact CG1-CG1 3.28Å; V55-L145 HydrophobicContact CG2-CD1 3.55Å; V55-A148 HydrophobicContact CB-CB 4.48Å; V55-A148 HydrophobicContact CG2-CB 3.72Å; V55-A152 HydrophobicContact CB-CB 4.37Å; V55-A152 HydrophobicContact CG1-CB 3.97Å
56M95.4Very high94.2Very high46 Ų4638.6 Ų38.623%0.22721%0.209CC..EExtended strand (participates in β ladder)trans-107.3135.3171.3178.6-177.5176.500108.7C46 F47 V136 H137 L139C46-M56 CarbonylContact O-C 3.6Å; C46-M56 WeakPolarHBondContact O-CA 3.32Å; F47-M56 HydrophobicContact CD1-CB 3.9Å; F47-M56 HydrophobicContact CD1-CG 3.95Å; F47-M56 HydrophobicContact CE1-CB 3.85Å; F47-M56 HydrophobicContact CE1-CE 4.32Å; F47-M56 HydrophobicContact CE1-CG 3.54Å; F47-M56 HydrophobicContact CE1-SD 3.56Å; F47-M56 VanDerWaalsContact CE1-SD 3.56Å; F47-M56 HydrophobicContact CZ-CE 4Å; F47-M56 HydrophobicContact CZ-CG 4.05Å; F47-M56 HydrophobicContact CZ-SD 3.86Å; M56-V136 CarbonylContact O-C 3.6Å; M56-V136 WeakPolarHBondContact O-CA 3.45Å; M56-H137 PolarHBondContact N-O 2.81Å; M56-H137 PolarHBondContact O-N 3.02Å; M56-L139 HydrophobicContact CB-CD1 4.03Å; M56-L139 HydrophobicContact CB-CG 4.28Å
57A96.4Very high94Very high0 Ų045 Ų450%024%0.237CC..EExtended strand (participates in β ladder)trans-122.9133.7170.900000109.6C46 D135 V136 A152 A156C46-A57 PolarHBondContact N-O 2.75Å; C46-A57 PolarHBondContact O-N 2.74Å; A57-D135 CarbonylContact C-O 3.58Å; A57-D135 WeakPolarHBondContact CA-O 3.32Å; A57-V136 HydrophobicContact CB-CG2 4.25Å; A57-A152 HydrophobicContact CB-CB 3.79Å; A57-A152 WeakPolarHBondContact CB-O 3.39Å; A57-A156 HydrophobicContact CB-CB 3.73Å
58Q96Very high93.8Very high55 Ų5553.3 Ų53.326%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-124.8133.3177.1-173.765.717.700109.3G44 C45 V134 D135G44-Q58 WeakPolarHBondContact O-CA 3.44Å; C45-Q58 VanDerWaalsContact CA-OE1 3.3Å; Q58-V134 WeakPolarHBondContact O-CA 3.46Å; Q58-D135 PolarHBondContact N-O 3.28Å; Q58-D135 PolarHBondContact O-N 3.02Å
59V96.5Very high93.6Very high4 Ų458.1 Ų58.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-106.9130.6173.3-173.60000109.6G44 I132 R133 V134 A156 L157 F160G44-V59 PolarHBondContact O-N 3.1Å; G44-V59 VanDerWaalsContact O-N 3.09Å; V59-I132 HydrophobicContact CG1-CG2 3.62Å; V59-R133 CarbonylContact C-O 3.54Å; V59-R133 WeakPolarHBondContact CA-O 3.36Å; V59-V134 HydrophobicContact CG1-CG2 4.45Å; V59-V134 HydrophobicContact CG2-CG1 4.36Å; V59-V134 HydrophobicContact CG2-CG2 4.13Å; V59-A156 HydrophobicContact CG2-CB 3.77Å; V59-L157 HydrophobicContact CG2-CD2 4.29Å; V59-F160 HydrophobicContact CB-CB 3.93Å; V59-F160 HydrophobicContact CB-CD2 3.6Å; V59-F160 HydrophobicContact CB-CE2 4.25Å; V59-F160 HydrophobicContact CB-CG 3.75Å; V59-F160 HydrophobicContact CG1-CB 4.01Å; V59-F160 HydrophobicContact CG1-CD1 3.79Å; V59-F160 HydrophobicContact CG1-CD2 3.66Å; V59-F160 HydrophobicContact CG1-CE1 4.16Å; V59-F160 HydrophobicContact CG1-CE2 4.04Å; V59-F160 HydrophobicContact CG1-CG 3.51Å; V59-F160 HydrophobicContact CG1-CZ 4.29Å; V59-F160 HydrophobicContact CG2-CB 4.21Å
60S95Very high93.4Very high42 Ų4263.6 Ų63.629%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-121.4154.8172.353.60000110.1R133S60-R133 PolarHBondContact N-O 2.74Å; S60-R133 PolarHBondContact O-N 3.48Å; S60-R133 WeakPolarHBondContact OG-CB 3.44Å; S60-R133 PolarHBondContact OG-O 3.16Å
61C93.5Very high93.3Very high33 Ų3365.7 Ų65.722%0.22334%0.342CS..EExtended strand (participates in β ladder)trans-139.5133.6-178.2-167.20000110.9Q131 F160C61-Q131 WeakPolarHBondContact CA-O 3.28Å; C61-F160 HydrophobicContact CB-CE1 3.9Å; C61-F160 HydrophobicContact CB-CZ 3.47Å; C61-F160 VanDerWaalsContact CB-CZ 3.47Å
62E93.8Very high93.3Very high115 Ų11568.1 Ų68.154%0.53735%0.345SS..EExtended strand (participates in β ladder)trans-136.4151.8-177.5-65.1179.5172.600110.2V64 Q131E62-V64 HydrophobicContact CB-CG2 4.21Å; E62-Q131 PolarHBondContact N-O 3.41Å; E62-Q131 PolarHBondContact O-N 3.29Å
63L93Very high93.4Very high54 Ų5464 Ų6428%0.28333%0.326SS..EExtended strand (participates in β ladder)trans-90.7117172.1-76.2171.4000110V123 W130 V172 V174L63-V123 HydrophobicContact CD2-CG2 4.08Å; L63-W130 HydrophobicContact CD1-CH2 4.15Å; L63-W130 HydrophobicContact CD1-CZ3 4.3Å; L63-W130 HydrophobicContact CD2-CD2 3.61Å; L63-W130 HydrophobicContact CD2-CE3 3.57Å; L63-W130 HydrophobicContact CD2-CG 4.28Å; L63-W130 HydrophobicContact CD2-CH2 3.93Å; L63-W130 HydrophobicContact CD2-CZ2 3.96Å; L63-W130 HydrophobicContact CD2-CZ3 3.76Å; L63-W130 HydrophobicContact CG-CD2 4.31Å; L63-W130 HydrophobicContact CG-CE3 3.77Å; L63-W130 HydrophobicContact CG-CH2 3.82Å; L63-W130 HydrophobicContact CG-CZ2 4.35Å; L63-W130 HydrophobicContact CG-CZ3 3.52Å; L63-V172 HydrophobicContact CD1-CG1 4.32Å; L63-V174 HydrophobicContact CD1-CG2 3.43Å; L63-V174 VanDerWaalsContact CD1-CG2 3.43Å
64V93.9Very high93.2Very high46 Ų4664.4 Ų64.428%0.27933%0.33SS..EExtended strand (participates in β ladder)trans-132157.6-175.6-1760000110E62 V129 Q131E62-V64 HydrophobicContact CB-CG2 4.21Å; V64-V129 PolarHBondContact N-O 3.12Å; V64-V129 WeakPolarHBondContact O-CG2 3.44Å; V64-V129 PolarHBondContact O-N 3.42Å; V64-V129 VanDerWaalsContact O-O 3.06Å; V64-Q131 HydrophobicContact CB-CB 4.16Å; V64-Q131 HydrophobicContact CG2-CB 3.85Å
65V92.6Very high93.1Very high89 Ų8961.8 Ų61.854%0.53932%0.322SS..PPolyproline II helixtrans-70.7130.5173-176.60000109E127V65-E127 WeakPolarHBondContact CA-O 3.35Å
66P94Very high93Very high12 Ų1262.8 Ų62.88%0.07833%0.327CS..PPolyproline II helixtrans-65.3165.6179.426.3-33.3000112V129P66-V129 HydrophobicContact CB-CB 4.35Å; P66-V129 HydrophobicContact CB-CG1 3.7Å; P66-V129 HydrophobicContact CB-CG2 3.67Å; P66-V129 HydrophobicContact CG-CG1 3.84Å; P66-V129 HydrophobicContact CG-CG2 4.34Å
67K90.9Very high92.9Very high133 Ų13365 Ų6558%0.57834%0.336SS*.PPolyproline II helixtrans-71.4138.8170.9-66.8-179.3-179.7177.80109.8S69 R70 I75K67-S69 PolarHBondContact O-N 3.41Å; K67-R70 CarbonylContact O-C 3.18Å; K67-R70 PolarHBondContact O-N 3.35Å; K67-I75 HydrophobicContact CG-CD1 4.23Å
68E89.9Confident92.7Very high199 Ų19965.3 Ų65.393%0.9334%0.337SS*.THydrogen-bonded Turntrans-56.1-29.1178.9-65.7-179.5178.500113.5R70E68-R70 VanDerWaalsContact C-N 3.31Å; E68-R70 PolarHBondContact O-N 3.4Å
69S92.2Very high92.6Very high102 Ų10264.2 Ų64.271%0.71333%0.333SS*.THydrogen-bonded Turntrans-69.2-28178.360.10000113.6K67K67-S69 PolarHBondContact O-N 3.41Å
70R89.4Confident92.4Very high138 Ų13864.1 Ų64.152%0.52133%0.332SS..  trans-144.983.3-178.5-65.9-160.6-178-179.5-3.2110.6K67 E68 N72 E73K67-R70 CarbonylContact O-C 3.18Å; K67-R70 PolarHBondContact O-N 3.35Å; E68-R70 VanDerWaalsContact C-N 3.31Å; E68-R70 PolarHBondContact O-N 3.4Å; R70-N72 VanDerWaalsContact C-N 3.25Å; R70-N72 PolarHBondContact O-N 3.46Å; R70-E73 HydrophobicContact CB-CB 4.41Å; R70-E73 VanDerWaalsContact CD-CD 3.45Å; R70-E73 WeakPolarHBondContact CD-OE2 3.36Å; R70-E73 IonicContact CZ-OE1 3.85Å; R70-E73 IonicContact CZ-OE2 3.71Å; R70-E73 IonicContact NE-OE2 3.79Å; R70-E73 IonicContact NH1-OE1 3.15Å; R70-E73 PolarHBondContact NH1-OE1 3.17Å; R70-E73 VanDerWaalsContact NH1-OE1 3.15Å; R70-E73 IonicContact NH1-OE2 2.81Å; R70-E73 PolarHBondContact NH1-OE2 3.25Å
71P90.9Very high92.2Very high47 Ų4765.7 Ų65.731%0.30534%0.335SS..THydrogen-bonded Turntrans-72.1-16.5-178.227.6-34.2000114.2G126P71-G126 PolarHBondContact O-N 3.11Å; P71-G126 VanDerWaalsContact O-N 3.16Å
72N91.6Very high92Very high95 Ų9565 Ų6551%0.50833%0.329SS..THydrogen-bonded Turntrans-98.1-0.9-173.6-59.20.7000113.7R70 C122 S125R70-N72 VanDerWaalsContact C-N 3.25Å; R70-N72 PolarHBondContact O-N 3.46Å; N72-C122 WeakPolarHBondContact O-CB 3.31Å; N72-S125 PolarHBondContact OD1-OG 3.49Å
73E91.6Very high91.7Very high46 Ų4660.7 Ų60.722%0.21531%0.311CS..SBendtrans-117.4138.2-176-69.2178-170.400110.2R70 E119R70-E73 HydrophobicContact CB-CB 4.41Å; R70-E73 VanDerWaalsContact CD-CD 3.45Å; R70-E73 WeakPolarHBondContact CD-OE2 3.36Å; R70-E73 IonicContact CZ-OE1 3.85Å; R70-E73 IonicContact CZ-OE2 3.71Å; R70-E73 IonicContact NE-OE2 3.79Å; R70-E73 IonicContact NH1-OE1 3.15Å; R70-E73 PolarHBondContact NH1-OE1 3.17Å; R70-E73 VanDerWaalsContact NH1-OE1 3.15Å; R70-E73 IonicContact NH1-OE2 2.81Å; R70-E73 PolarHBondContact NH1-OE2 3.25Å; E73-E119 HydrophobicContact CG-CG 4.43Å
74G91.1Very high91.4Very high8 Ų860.6 Ų60.68%0.08231%0.314CS..  trans-68.6162.1169.100000113T118 W130G74-T118 PolarHBondContact N-O 3.29Å; G74-W130 WeakPolarHBondContact CA-O 3.32Å
75I92.3Very high91.1Very high34 Ų3465.7 Ų65.717%0.17434%0.337CS..EExtended strand (participates in β ladder)trans-103.6135-177-58.2173.6000109.4K67 V129 W130 Q131 I132K67-I75 HydrophobicContact CG-CD1 4.23Å; I75-V129 HydrophobicContact CG1-CG2 4.45Å; I75-W130 PolarHBondContact N-O 3.14Å; I75-W130 VanDerWaalsContact N-O 3.11Å; I75-Q131 HydrophobicContact CB-CB 4.43Å; I75-Q131 HydrophobicContact CB-CG 4.26Å; I75-Q131 HydrophobicContact CG2-CG 4.34Å; I75-Q131 CarbonylContact O-C 3.58Å; I75-Q131 VanDerWaalsContact O-CA 3.28Å; I75-Q131 WeakPolarHBondContact O-CA 3.48Å; I75-I132 PolarHBondContact O-N 3.36Å
76M91.8Very high90.8Very high21 Ų2161.7 Ų61.710%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-118.2129.7173.3-66.2173.7-166.500111.1F78 R111 I116 T118 L121 I132M76-F78 HydrophobicContact CB-CE2 4.07Å; M76-F78 HydrophobicContact CB-CZ 4.39Å; M76-R111 PolarHBondContact O-NH2 2.9Å; M76-I116 HydrophobicContact CE-CB 3.45Å; M76-I116 VanDerWaalsContact CE-CB 3.45Å; M76-I116 HydrophobicContact CE-CD1 3.97Å; M76-I116 HydrophobicContact CE-CG1 4.36Å; M76-I116 HydrophobicContact CE-CG2 3.39Å; M76-I116 HydrophobicContact SD-CB 4.16Å; M76-I116 HydrophobicContact SD-CD1 3.8Å; M76-T118 HydrophobicContact CE-CG2 3.41Å; M76-T118 VanDerWaalsContact CE-CG2 3.41Å; M76-T118 HydrophobicContact SD-CG2 4.17Å; M76-L121 HydrophobicContact CE-CD1 3.63Å; M76-I132 CarbonylContact C-O 3.56Å; M76-I132 VanDerWaalsContact CA-O 3.32Å; M76-I132 WeakPolarHBondContact CA-O 3.32Å
77F93.7Very high90.4Very high92 Ų9261.6 Ų61.640%0.40431%0.313SS..EExtended strand (participates in β ladder)trans-117128.9174.7-168.9-105.2000109.8N79 I132 R133 V134F77-N79 HydrophobicContact CD1-CB 4.31Å; F77-N79 HydrophobicContact CE1-CB 3.8Å; F77-I132 PolarHBondContact N-O 3.27Å; F77-R133 HydrophobicContact CB-CB 4.34Å; F77-R133 HydrophobicContact CD1-CG 4.01Å; F77-R133 CarbonylContact O-C 3.49Å; F77-R133 WeakPolarHBondContact O-CA 3.35Å; F77-V134 PolarHBondContact O-N 2.81Å
78F93.9Very high90.1Very high7 Ų758.4 Ų58.43%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-115.5134.3174.7-63.2-78.1000108.1M76 N103 L106 E107 L110 V134 L157M76-F78 HydrophobicContact CB-CE2 4.07Å; M76-F78 HydrophobicContact CB-CZ 4.39Å; F78-N103 PolarHBondContact O-OD1 3.35Å; F78-L106 HydrophobicContact CB-CD2 3.97Å; F78-L106 HydrophobicContact CD1-CD2 4.1Å; F78-L106 HydrophobicContact CG-CD2 4.27Å; F78-E107 HydrophobicContact CD2-CG 4.42Å; F78-L110 HydrophobicContact CD1-CD1 3.65Å; F78-L110 HydrophobicContact CE1-CB 3.98Å; F78-L110 HydrophobicContact CE1-CD1 3.34Å; F78-L110 HydrophobicContact CE1-CG 4.28Å; F78-L110 HydrophobicContact CE2-CB 3.92Å; F78-L110 HydrophobicContact CG-CD1 4.45Å; F78-L110 HydrophobicContact CZ-CB 3.59Å; F78-L110 HydrophobicContact CZ-CD1 3.9Å; F78-L110 HydrophobicContact CZ-CG 4.38Å; F78-V134 HydrophobicContact CD1-CB 3.78Å; F78-V134 HydrophobicContact CD1-CG1 4.45Å; F78-V134 HydrophobicContact CD1-CG2 4.01Å; F78-V134 HydrophobicContact CE1-CB 4.05Å; F78-V134 HydrophobicContact CE1-CG2 3.75Å; F78-L157 HydrophobicContact CE1-CD1 4.46Å
79N93.3Very high89.7Confident32 Ų3250.3 Ų50.317%0.17127%0.273CS..EExtended strand (participates in β ladder)trans-137.5124.5177.6-179.542.6000108.8F77 V134 D135 V136F77-N79 HydrophobicContact CD1-CB 4.31Å; F77-N79 HydrophobicContact CE1-CB 3.8Å; N79-V134 PolarHBondContact N-O 3.48Å; N79-D135 VanDerWaalsContact CB-OD1 3.31Å; N79-D135 WeakPolarHBondContact CB-OD1 3.38Å; N79-D135 PolarHBondContact ND2-OD1 2.88Å; N79-D135 CarbonylContact O-C 3.58Å; N79-D135 WeakPolarHBondContact O-CA 3.42Å; N79-V136 PolarHBondContact O-N 2.98Å
80L92.6Very high89.3Confident1 Ų146.5 Ų46.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-111.5113.6172.7-172.5153.1000107.6L82 L102 N103 L106 V136 A149L80-L82 HydrophobicContact CD2-CD2 3.61Å; L80-L82 HydrophobicContact CD2-CG 4.19Å; L80-L102 HydrophobicContact CD1-CB 4.21Å; L80-L102 HydrophobicContact CD2-CB 4.29Å; L80-L102 HydrophobicContact CD2-CD1 4.4Å; L80-N103 HydrophobicContact CB-CB 4.34Å; L80-L106 HydrophobicContact CD1-CD1 4.45Å; L80-V136 CarbonylContact C-O 3.56Å; L80-V136 WeakPolarHBondContact CA-O 3.33Å; L80-V136 HydrophobicContact CB-CB 4.48Å; L80-V136 HydrophobicContact CD1-CG1 4.43Å; L80-V136 HydrophobicContact CG-CB 4.35Å; L80-V136 HydrophobicContact CG-CG1 4.4Å; L80-A149 HydrophobicContact CD1-CB 3.74Å
81E90.2Very high88.8Confident75 Ų7544.9 Ų44.935%0.3524%0.241SC..EExtended strand (participates in β ladder)trans-104.3127.7177.9-169.9-178.8-179.500110.4V136 H137 T138E81-V136 PolarHBondContact N-O 2.99Å; E81-H137 IonicContact OE2-CE1 3.65Å; E81-H137 PolarHBondContact OE2-CE1 3.43Å; E81-H137 IonicContact OE2-ND1 3.58Å; E81-H137 PolarHBondContact OE2-ND1 2.82Å; E81-T138 PolarHBondContact O-N 2.81Å
82L89.6Confident88.2Confident19 Ų1950 Ų5010%0.09926%0.262CS..EExtended strand (participates in β ladder)trans-88.7105.3171.8-58.4-178.2000108.4L80 F90 L98 L145L80-L82 HydrophobicContact CD2-CD2 3.61Å; L80-L82 HydrophobicContact CD2-CG 4.19Å; L82-F90 HydrophobicContact CB-CB 4.44Å; L82-F90 HydrophobicContact CB-CD1 4.46Å; L82-F90 HydrophobicContact CB-CD2 4Å; L82-F90 HydrophobicContact CB-CE2 4.37Å; L82-F90 HydrophobicContact CB-CG 4.05Å; L82-F90 HydrophobicContact CD1-CD1 4.12Å; L82-F90 HydrophobicContact CD1-CE1 3.92Å; L82-F90 HydrophobicContact CD1-CZ 4.14Å; L82-F90 HydrophobicContact CD2-CE2 4.49Å; L82-L98 HydrophobicContact CD1-CD2 4.33Å; L82-L98 HydrophobicContact CD1-CG 4.44Å; L82-L145 HydrophobicContact CD2-CD2 3.39Å
83S86.8Confident87.2Confident24 Ų2449.1 Ų49.117%0.16828%0.275CS..  trans-70.4141.3175.6-175.60000110.6M85 A86 T138S83-M85 PolarHBondContact O-N 3.26Å; S83-M85 VanDerWaalsContact O-N 3.08Å; S83-M85 PolarHBondContact OG-N 3.35Å; S83-A86 WeakPolarHBondContact O-CB 3.45Å; S83-A86 PolarHBondContact O-N 3.19Å; S83-T138 WeakPolarHBondContact CB-O 3.34Å
84P87.3Confident86.4Confident53 Ų5355.1 Ų55.134%0.34430%0.295SS..THydrogen-bonded Turntrans-56.6-19.2167.7-2433.8000113.9A86 F90 Q92P84-A86 VanDerWaalsContact C-N 3.26Å; P84-A86 PolarHBondContact O-N 2.67Å; P84-F90 WeakPolarHBondContact CA-O 3.43Å; P84-F90 WeakPolarHBondContact CB-O 3.41Å; P84-Q92 HydrophobicContact CG-CB 3.88Å
85M87.7Confident85.5Confident152 Ų15260.8 Ų60.875%0.74932%0.32SS*.THydrogen-bonded Turntrans-66.6-28.3173.2-64.1179.269.500112.6S83 L139S83-M85 PolarHBondContact O-N 3.26Å; S83-M85 VanDerWaalsContact O-N 3.08Å; S83-M85 PolarHBondContact OG-N 3.35Å; M85-L139 CarbonylContact C-O 3.54Å
86A86.4Confident85Confident6 Ų661 Ų615%0.0532%0.324CS..THydrogen-bonded Turntrans-77.5-35.5-173.800000113.1S83 P84 F90 T138 L139 N141S83-A86 WeakPolarHBondContact O-CB 3.45Å; S83-A86 PolarHBondContact O-N 3.19Å; P84-A86 VanDerWaalsContact C-N 3.26Å; P84-A86 PolarHBondContact O-N 2.67Å; A86-F90 HydrophobicContact CB-CD2 4.02Å; A86-F90 HydrophobicContact CB-CE2 4.06Å; A86-T138 HydrophobicContact CB-CG2 3.62Å; A86-L139 WeakPolarHBondContact CA-O 3.26Å; A86-L139 PolarHBondContact N-O 2.83Å; A86-N141 HydrophobicContact CB-CB 4.13Å; A86-N141 WeakPolarHBondContact O-CB 3.41Å; A86-N141 PolarHBondContact O-N 3.39Å
87S84.6Confident84.8Confident10 Ų1068.4 Ų68.47%0.0736%0.359CS..  trans-155.7142.5172.2170.20000109.9A89 F90S87-A89 PolarHBondContact O-N 3.31Å; S87-A89 VanDerWaalsContact O-N 3.09Å; S87-A89 PolarHBondContact OG-N 3.15Å; S87-F90 PolarHBondContact O-N 2.67Å
88P84.5Confident84.5Confident66 Ų6667.2 Ų67.243%0.42936%0.356SS..THydrogen-bonded Turntrans-60.5-17.4175.925.5-35.6000114.1M1 F90M1-P88 CarbonylContact C-O 3.58Å; M1-P88 HydrophobicContact CB-CB 3.89Å; M1-P88 PolarHBondContact N-O 3.48Å; P88-F90 VanDerWaalsContact C-N 3.31Å
89A82.1Confident84.2Confident28 Ų2867.1 Ų67.123%0.23136%0.356CS..THydrogen-bonded Turntrans-73.1-20.2173.100000114.4D3 S87 E91D3-A89 WeakPolarHBondContact OD1-CB 3.35Å; D3-A89 VanDerWaalsContact OD2-CB 3.25Å; D3-A89 WeakPolarHBondContact OD2-CB 3.5Å; S87-A89 PolarHBondContact O-N 3.31Å; S87-A89 VanDerWaalsContact O-N 3.09Å; S87-A89 PolarHBondContact OG-N 3.15Å; A89-E91 PolarHBondContact O-N 3.33Å
90F84.2Confident84.1Confident23 Ų2369.5 Ų69.510%0.10137%0.372CS..  trans-83.9106.1-178.1-57.9-30.5000109.1L82 P84 A86 S87 P88 L98 N141L82-F90 HydrophobicContact CB-CB 4.44Å; L82-F90 HydrophobicContact CB-CD1 4.46Å; L82-F90 HydrophobicContact CB-CD2 4Å; L82-F90 HydrophobicContact CB-CE2 4.37Å; L82-F90 HydrophobicContact CB-CG 4.05Å; L82-F90 HydrophobicContact CD1-CD1 4.12Å; L82-F90 HydrophobicContact CD1-CE1 3.92Å; L82-F90 HydrophobicContact CD1-CZ 4.14Å; L82-F90 HydrophobicContact CD2-CE2 4.49Å; P84-F90 WeakPolarHBondContact CA-O 3.43Å; P84-F90 WeakPolarHBondContact CB-O 3.41Å; A86-F90 HydrophobicContact CB-CD2 4.02Å; A86-F90 HydrophobicContact CB-CE2 4.06Å; S87-F90 PolarHBondContact O-N 2.67Å; P88-F90 VanDerWaalsContact C-N 3.31Å; F90-L98 HydrophobicContact CE1-CD2 4.05Å; F90-L98 HydrophobicContact CZ-CD2 4.09Å; F90-N141 HydrophobicContact CE2-CB 4.25Å
91E79.8Confident84.1Confident103 Ų10372.6 Ų72.648%0.48139%0.385SS..  trans-91.1131.2173.8-67-178.216300109.9A89 G93 R94A89-E91 PolarHBondContact O-N 3.33Å; E91-G93 PolarHBondContact O-N 3.31Å; E91-R94 PolarHBondContact O-N 3.01Å
92Q77.7Confident84.1Confident156 Ų15669.9 Ų69.973%0.72937%0.373SS*.THydrogen-bonded Turntrans-65.1129.6179.9-159.8171.415.400110.3P84 R94P84-Q92 HydrophobicContact CG-CB 3.88Å; Q92-R94 PolarHBondContact O-N 3.3Å
93G71.2Confident84.3Confident76 Ų7670.6 Ų70.678%0.78438%0.377SS*.THydrogen-bonded Turntrans89.4-17.4177.900000115.5E91E91-G93 PolarHBondContact O-N 3.31Å
94R74.6Confident84.6Confident171 Ų17178.3 Ų78.365%0.64540%0.402SS*.  trans-90.1108170.4-163.4-179.792.1172.86.1109.7E91 Q92 S96E91-R94 PolarHBondContact O-N 3.01Å; Q92-R94 PolarHBondContact O-N 3.3Å; R94-S96 PolarHBondContact O-N 3.21Å
95Q71.1Confident84.8Confident127 Ų12776 Ų7659%0.59339%0.387SS*.  trans-66.1101.1172.4-68.5-63.1-28.900109.6S99 V100Q95-S99 PolarHBondContact OE1-OG 3.14Å; Q95-V100 HydrophobicContact CB-CG2 4.29Å
96S81.6Confident85.1Confident39 Ų3968.9 Ų68.927%0.27335%0.352SS..  trans-66.4151.6174.3-175.50000110.4R94 L98 S99 V100R94-S96 PolarHBondContact O-N 3.21Å; S96-L98 PolarHBondContact O-N 3.24Å; S96-L98 VanDerWaalsContact O-N 3.16Å; S96-S99 WeakPolarHBondContact O-CB 3.33Å; S96-S99 PolarHBondContact O-N 3.43Å; S96-V100 PolarHBondContact O-N 3.45Å; S96-V100 VanDerWaalsContact O-N 3.12Å
97E87.4Confident85.4Confident176 Ų17671.3 Ų71.382%0.82236%0.362SS*.Hα-helixtrans-53.9-35.4173.2-64.7179.7-177.800111.6K101E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 PolarHBondContact O-N 3.12Å
98L87.8Confident85.7Confident68 Ų6875 Ų7536%0.35638%0.375SS..Hα-helixtrans-62.3-45.9174.7-176.865.3000111.8L82 F90 S96 V100 K101 L102L82-L98 HydrophobicContact CD1-CD2 4.33Å; L82-L98 HydrophobicContact CD1-CG 4.44Å; F90-L98 HydrophobicContact CE1-CD2 4.05Å; F90-L98 HydrophobicContact CZ-CD2 4.09Å; S96-L98 PolarHBondContact O-N 3.24Å; S96-L98 VanDerWaalsContact O-N 3.16Å; L98-V100 PolarHBondContact O-N 3.23Å; L98-K101 PolarHBondContact O-N 3.39Å; L98-L102 HydrophobicContact CD1-CD1 3.94Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CD2-CD1 4.48Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.32Å
99S88.9Confident86Confident5 Ų571.9 Ų71.94%0.03536%0.355CS..Hα-helixtrans-58.7-50178.4-178.40000110.7Q95 S96 K101 L102 N103Q95-S99 PolarHBondContact OE1-OG 3.14Å; S96-S99 WeakPolarHBondContact O-CB 3.33Å; S96-S99 PolarHBondContact O-N 3.43Å; S99-K101 VanDerWaalsContact C-N 3.35Å; S99-K101 PolarHBondContact O-N 2.97Å; S99-L102 PolarHBondContact O-N 3.5Å; S99-N103 WeakPolarHBondContact O-CB 3.26Å; S99-N103 PolarHBondContact O-N 3.43Å
100V90.8Very high86.5Confident81 Ų8170.8 Ų70.849%0.49135%0.345SS..Hα-helixtrans-62.5-42.9180179.20000111.2Q95 S96 L98 R104Q95-V100 HydrophobicContact CB-CG2 4.29Å; S96-V100 PolarHBondContact O-N 3.45Å; S96-V100 VanDerWaalsContact O-N 3.12Å; L98-V100 PolarHBondContact O-N 3.23Å; V100-R104 VanDerWaalsContact O-CB 3.25Å; V100-R104 WeakPolarHBondContact O-CB 3.21Å; V100-R104 PolarHBondContact O-N 2.98Å
101K91.3Very high86.7Confident67 Ų6774.5 Ų74.529%0.29136%0.358SS..Hα-helixtrans-62.5-49.1178.1-177.3-172.3174.1-163.90111.6E97 L98 S99 Q105 S237E97-K101 VanDerWaalsContact O-CB 3.27Å; E97-K101 WeakPolarHBondContact O-CB 3.49Å; E97-K101 PolarHBondContact O-N 3.12Å; L98-K101 PolarHBondContact O-N 3.39Å; S99-K101 VanDerWaalsContact C-N 3.35Å; S99-K101 PolarHBondContact O-N 2.97Å; K101-Q105 VanDerWaalsContact O-CB 3.23Å; K101-Q105 WeakPolarHBondContact O-CB 3.49Å; K101-Q105 PolarHBondContact O-N 2.83Å; K101-S237 PolarHBondContact NZ-OG 3.43Å
102L91.9Very high87.1Confident17 Ų1775 Ų759%0.08936%0.364CS..Hα-helixtrans-66.7-46.2-178.7-70.6176.5000111.5L80 L98 S99 R104 Q105 L106 L145 M146L80-L102 HydrophobicContact CD1-CB 4.21Å; L80-L102 HydrophobicContact CD2-CB 4.29Å; L80-L102 HydrophobicContact CD2-CD1 4.4Å; L98-L102 HydrophobicContact CD1-CD1 3.94Å; L98-L102 HydrophobicContact CD1-CG 4.06Å; L98-L102 HydrophobicContact CD2-CD1 4.48Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.31Å; L98-L102 WeakPolarHBondContact O-CB 3.36Å; L98-L102 VanDerWaalsContact O-CG 3.27Å; L98-L102 WeakPolarHBondContact O-CG 3.12Å; L98-L102 PolarHBondContact O-N 3.32Å; S99-L102 PolarHBondContact O-N 3.5Å; L102-R104 PolarHBondContact O-N 2.88Å; L102-Q105 PolarHBondContact O-N 3.06Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 PolarHBondContact O-N 2.9Å; L102-L145 HydrophobicContact CD1-CB 4.33Å; L102-L145 HydrophobicContact CD1-CD2 3.61Å; L102-L145 HydrophobicContact CD1-CG 4.09Å; L102-M146 HydrophobicContact CD2-CB 3.84Å; L102-M146 HydrophobicContact CD2-CG 4.31Å; L102-M146 HydrophobicContact CD2-SD 3.9Å
103N93.1Very high87.5Confident35 Ų3568.4 Ų68.419%0.18734%0.335CS..Hα-helixtrans-61.3-47.8-180-165.60.3000111F78 L80 S99 Q105 L106 E107F78-N103 PolarHBondContact O-OD1 3.35Å; L80-N103 HydrophobicContact CB-CB 4.34Å; S99-N103 WeakPolarHBondContact O-CB 3.26Å; S99-N103 PolarHBondContact O-N 3.43Å; N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 3.44Å; N103-L106 PolarHBondContact O-N 3.45Å; N103-E107 WeakPolarHBondContact O-CB 3.45Å; N103-E107 PolarHBondContact O-N 3.06Å
104R92.6Very high88.4Confident186 Ų18671.6 Ų71.670%0.70233%0.327SS*.Hα-helixtrans-63.8-34.9176.4-173.1169.5174.1101.3-5.1112.6V100 L102 R108V100-R104 VanDerWaalsContact O-CB 3.25Å; V100-R104 WeakPolarHBondContact O-CB 3.21Å; V100-R104 PolarHBondContact O-N 2.98Å; L102-R104 PolarHBondContact O-N 2.88Å; R104-R108 WeakPolarHBondContact O-CB 3.47Å; R104-R108 PolarHBondContact O-N 3.33Å
105Q92.3Very high89.1Confident5 Ų563.5 Ų63.52%0.02330%0.297CS..Hα-helixtrans-72.1-39.2177.8179.454.820.700111.9K101 L102 N103 R108 C109 M146 S233K101-Q105 VanDerWaalsContact O-CB 3.23Å; K101-Q105 WeakPolarHBondContact O-CB 3.49Å; K101-Q105 PolarHBondContact O-N 2.83Å; L102-Q105 PolarHBondContact O-N 3.06Å; N103-Q105 VanDerWaalsContact C-N 3.3Å; N103-Q105 PolarHBondContact O-N 3.44Å; Q105-R108 PolarHBondContact O-N 3.3Å; Q105-R108 VanDerWaalsContact OE1-NE 3.16Å; Q105-C109 VanDerWaalsContact O-CB 3.27Å; Q105-C109 WeakPolarHBondContact O-CB 2.83Å; Q105-C109 PolarHBondContact O-N 3.16Å; Q105-M146 HydrophobicContact CB-CE 4.33Å; Q105-M146 HydrophobicContact CB-SD 4.18Å; Q105-M146 HydrophobicContact CG-CE 3.76Å; Q105-M146 HydrophobicContact CG-SD 3.88Å; Q105-S233 PolarHBondContact NE2-OG 3.03Å
106L93.1Very high90.1Very high1 Ų157.7 Ų57.71%0.00527%0.27CS..Hα-helixtrans-66.1-46.1175.1-169.1118.2000111.1F78 L80 L102 N103 R108 C109 L110 M146 A149F78-L106 HydrophobicContact CB-CD2 3.97Å; F78-L106 HydrophobicContact CD1-CD2 4.1Å; F78-L106 HydrophobicContact CG-CD2 4.27Å; L80-L106 HydrophobicContact CD1-CD1 4.45Å; L102-L106 WeakPolarHBondContact O-CB 3.46Å; L102-L106 PolarHBondContact O-N 2.9Å; N103-L106 PolarHBondContact O-N 3.45Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.01Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.45Å; L106-L110 HydrophobicContact CD2-CD1 3.95Å; L106-L110 HydrophobicContact CG-CD1 4.01Å; L106-L110 PolarHBondContact O-N 2.83Å; L106-M146 HydrophobicContact CB-CE 4.07Å; L106-M146 HydrophobicContact CD1-CE 4.31Å; L106-A149 HydrophobicContact CD1-CB 3.85Å
107E92.1Very high90.6Very high58 Ų5857 Ų5727%0.27126%0.263SS..Hα-helixtrans-58.2-46.6173.5-172.7-176.8-164.600110.9F78 N103 C109 L110 R111F78-E107 HydrophobicContact CD2-CG 4.42Å; N103-E107 WeakPolarHBondContact O-CB 3.45Å; N103-E107 PolarHBondContact O-N 3.06Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3.26Å; E107-L110 PolarHBondContact O-N 3.23Å; E107-R111 WeakPolarHBondContact O-CA 3.49Å; E107-R111 WeakPolarHBondContact O-CB 3.49Å; E107-R111 PolarHBondContact O-N 3.11Å; E107-R111 IonicContact OE1-CZ 3.56Å; E107-R111 IonicContact OE1-NE 3.39Å; E107-R111 IonicContact OE1-NH1 2.73Å; E107-R111 PolarHBondContact OE1-NH1 2.81Å; E107-R111 IonicContact OE1-NH2 2.84Å; E107-R111 PolarHBondContact OE1-NH2 2.77Å; E107-R111 VanDerWaalsContact OE1-NH2 3.08Å
108R92Very high90.7Very high87 Ų8750.4 Ų50.433%0.32824%0.235SC..Hα-helixtrans-62.7-39.9177.4-168.5173.169.6145.64.3112R104 Q105 L106 N112 I234R104-R108 WeakPolarHBondContact O-CB 3.47Å; R104-R108 PolarHBondContact O-N 3.33Å; Q105-R108 PolarHBondContact O-N 3.3Å; Q105-R108 VanDerWaalsContact OE1-NE 3.16Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.01Å; R108-N112 WeakPolarHBondContact CG-ND2 3.38Å; R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.79Å; R108-I234 PolarHBondContact NH2-O 3.46Å
109C91.4Very high90.9Very high1 Ų153.2 Ų53.21%0.00725%0.246CC..Hα-helixtrans-63.9-49.2179.5-173.30000111.6Q105 L106 E107 S113 A224Q105-C109 VanDerWaalsContact O-CB 3.27Å; Q105-C109 WeakPolarHBondContact O-CB 2.83Å; Q105-C109 PolarHBondContact O-N 3.16Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.45Å; E107-C109 VanDerWaalsContact C-N 3.33Å; E107-C109 PolarHBondContact O-N 3.26Å; C109-S113 WeakPolarHBondContact O-CB 3.44Å; C109-S113 PolarHBondContact O-OG 3.12Å; C109-A224 WeakPolarHBondContact SG-CB 3.44Å
110L91.3Very high91.1Very high4 Ų454.5 Ų54.52%0.02126%0.256CS..Hα-helixtrans-85.1-40.2-172.6-62.4174.6000112.9F78 L106 E107 S113 C115 A153 I154 P191F78-L110 HydrophobicContact CD1-CD1 3.65Å; F78-L110 HydrophobicContact CE1-CB 3.98Å; F78-L110 HydrophobicContact CE1-CD1 3.34Å; F78-L110 HydrophobicContact CE1-CG 4.28Å; F78-L110 HydrophobicContact CE2-CB 3.92Å; F78-L110 HydrophobicContact CG-CD1 4.45Å; F78-L110 HydrophobicContact CZ-CB 3.59Å; F78-L110 HydrophobicContact CZ-CD1 3.9Å; F78-L110 HydrophobicContact CZ-CG 4.38Å; L106-L110 HydrophobicContact CD2-CD1 3.95Å; L106-L110 HydrophobicContact CG-CD1 4.01Å; L106-L110 PolarHBondContact O-N 2.83Å; E107-L110 PolarHBondContact O-N 3.23Å; L110-S113 PolarHBondContact O-OG 3.37Å; L110-C115 PolarHBondContact O-SG 3.34Å; L110-A153 HydrophobicContact CD1-CB 3.93Å; L110-I154 HydrophobicContact CD2-CD1 3.44Å; L110-I154 VanDerWaalsContact CD2-CD1 3.44Å; L110-I154 HydrophobicContact CD2-CG1 4.12Å; L110-P191 HydrophobicContact CD2-CG 3.8Å
111R89.8Confident91.1Very high102 Ų10250.7 Ų50.739%0.38523%0.232SC..Hα-helixtrans-76.4-45.3-178.1-172.2179.4-78167.38.2112.4M76 E107 S113 K114M76-R111 PolarHBondContact O-NH2 2.9Å; E107-R111 WeakPolarHBondContact O-CA 3.49Å; E107-R111 WeakPolarHBondContact O-CB 3.49Å; E107-R111 PolarHBondContact O-N 3.11Å; E107-R111 IonicContact OE1-CZ 3.56Å; E107-R111 IonicContact OE1-NE 3.39Å; E107-R111 IonicContact OE1-NH1 2.73Å; E107-R111 PolarHBondContact OE1-NH1 2.81Å; E107-R111 IonicContact OE1-NH2 2.84Å; E107-R111 PolarHBondContact OE1-NH2 2.77Å; E107-R111 VanDerWaalsContact OE1-NH2 3.08Å; R111-S113 VanDerWaalsContact C-N 3.34Å; R111-K114 PolarHBondContact O-N 3.29Å
112N87.1Confident91.1Very high112 Ų11249.1 Ų49.160%0.59923%0.23SC*.Hα-helixtrans-74.9-28.3-176.5-65.72.9000112.5R108 K114R108-N112 WeakPolarHBondContact CG-ND2 3.38Å; R108-N112 WeakPolarHBondContact O-CB 3.19Å; R108-N112 PolarHBondContact O-N 2.79Å; N112-K114 PolarHBondContact O-N 2.95Å
113S87.1Confident91Very high18 Ų1849.3 Ų49.313%0.12623%0.231CC..Hα-helixtrans-68.1-22.3173.660.40000112C109 L110 R111 C115 H189 C232C109-S113 WeakPolarHBondContact O-CB 3.44Å; C109-S113 PolarHBondContact O-OG 3.12Å; L110-S113 PolarHBondContact O-OG 3.37Å; R111-S113 VanDerWaalsContact C-N 3.34Å; S113-C115 VanDerWaalsContact C-N 3.29Å; S113-H189 WeakPolarHBondContact CB-NE2 3.28Å; S113-H189 PolarHBondContact O-CE1 3.26Å; S113-H189 PolarHBondContact O-NE2 3.39Å; S113-C232 VanDerWaalsContact CB-SG 3.58Å
114K89.3Confident90.9Very high143 Ų14349.2 Ų49.262%0.62223%0.232SC*.THydrogen-bonded Turntrans53.550-169.9-57.4-176.4175.7-171.30110.7R111 N112 I116 Y188R111-K114 PolarHBondContact O-N 3.29Å; N112-K114 PolarHBondContact O-N 2.95Å; K114-I116 PolarHBondContact O-N 2.99Å; K114-Y188 WeakPolarHBondContact O-CD2 3.19Å
115C89.1Confident90.7Very high2 Ų243.8 Ų43.81%0.01422%0.223CC..  trans-62.4-31.2-179.858.10000113.1L110 S113 I187 Y188 H189 P191L110-C115 PolarHBondContact O-SG 3.34Å; S113-C115 VanDerWaalsContact C-N 3.29Å; C115-I187 CarbonylContact O-C 3.58Å; C115-I187 WeakPolarHBondContact O-CA 3.45Å; C115-I187 WeakPolarHBondContact O-CG2 3.45Å; C115-Y188 PolarHBondContact O-N 3.02Å; C115-H189 VanDerWaalsContact CB-O 3.31Å; C115-H189 WeakPolarHBondContact CB-O 3.32Å; C115-P191 HydrophobicContact CB-CG 3.93Å
116I91.3Very high90.5Very high5 Ų545.4 Ų45.43%0.02624%0.241CC..BIsolated β-bridgetrans-112.4146.8179.8-56154.3000109.5M76 K114 T118 L157 I187M76-I116 HydrophobicContact CE-CB 3.45Å; M76-I116 VanDerWaalsContact CE-CB 3.45Å; M76-I116 HydrophobicContact CE-CD1 3.97Å; M76-I116 HydrophobicContact CE-CG1 4.36Å; M76-I116 HydrophobicContact CE-CG2 3.39Å; M76-I116 HydrophobicContact SD-CB 4.16Å; M76-I116 HydrophobicContact SD-CD1 3.8Å; K114-I116 PolarHBondContact O-N 2.99Å; I116-T118 PolarHBondContact O-N 3.25Å; I116-L157 HydrophobicContact CD1-CD1 3.73Å; I116-L157 HydrophobicContact CD1-CD2 3.57Å; I116-L157 HydrophobicContact CD1-CG 4.18Å; I116-I187 HydrophobicContact CG1-CG1 4.45Å
117D92.1Very high90.4Very high24 Ų2449.4 Ų49.413%0.12826%0.259CS..  trans-77.1102.1174.1-173.925.2000112.6E119 S120 S186 Y188D117-E119 PolarHBondContact O-N 3.47Å; D117-E119 PolarHBondContact OD1-N 3.48Å; D117-S120 PolarHBondContact O-OG 3.4Å; D117-S120 WeakPolarHBondContact OD2-CB 3.44Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 VanDerWaalsContact OD2-N 3.14Å; D117-S120 PolarHBondContact OD2-OG 2.96Å; D117-S186 PolarHBondContact N-O 2.93Å; D117-Y188 HydrophobicContact CB-CD2 4.45Å; D117-Y188 HydrophobicContact CB-CE1 4.5Å; D117-Y188 HydrophobicContact CB-CE2 3.61Å; D117-Y188 PolarHBondContact OD1-OH 3.41Å
118T91.4Very high90.3Very high37 Ų3750.1 Ų50.123%0.22726%0.261CS..SBendtrans-68.4-21.7175.246.60000113.3G74 M76 I116 L121G74-T118 PolarHBondContact N-O 3.29Å; M76-T118 HydrophobicContact CE-CG2 3.41Å; M76-T118 VanDerWaalsContact CE-CG2 3.41Å; M76-T118 HydrophobicContact SD-CG2 4.17Å; I116-T118 PolarHBondContact O-N 3.25Å; T118-L121 WeakPolarHBondContact O-CB 3.32Å; T118-L121 PolarHBondContact O-N 3.36Å
119E91.7Very high90.4Very high127 Ų12746 Ų4659%0.59325%0.246SC*.SBendtrans-76.9-39.5-177.6-62.2177-170.900110.7E73 D117 L121 C122E73-E119 HydrophobicContact CG-CG 4.43Å; D117-E119 PolarHBondContact O-N 3.47Å; D117-E119 PolarHBondContact OD1-N 3.48Å; E119-L121 PolarHBondContact O-N 3.49Å; E119-C122 WeakPolarHBondContact O-CB 3.42Å; E119-C122 PolarHBondContact O-N 3.21Å
120S91.6Very high90.6Very high33 Ų3346.2 Ų46.223%0.23125%0.246CC..THydrogen-bonded Turntrans-60.3-13.7172.570.60000115.3D117 R162D117-S120 PolarHBondContact O-OG 3.4Å; D117-S120 WeakPolarHBondContact OD2-CB 3.44Å; D117-S120 PolarHBondContact OD2-N 3.36Å; D117-S120 VanDerWaalsContact OD2-N 3.14Å; D117-S120 PolarHBondContact OD2-OG 2.96Å; S120-R162 PolarHBondContact O-NH1 2.91Å; S120-R162 PolarHBondContact O-NH2 3.35Å
121L91.3Very high90.7Very high0 Ų048.1 Ų48.10%026%0.255CS..THydrogen-bonded Turntrans-90-7.7179.3-62.9-179.1000113.2M76 T118 E119 W130 I132 L185M76-L121 HydrophobicContact CE-CD1 3.63Å; T118-L121 WeakPolarHBondContact O-CB 3.32Å; T118-L121 PolarHBondContact O-N 3.36Å; E119-L121 PolarHBondContact O-N 3.49Å; L121-W130 HydrophobicContact CB-CB 4.06Å; L121-W130 HydrophobicContact CD2-CB 4.23Å; L121-W130 WeakPolarHBondContact O-CB 3.26Å; L121-W130 PolarHBondContact O-N 2.94Å; L121-I132 HydrophobicContact CD1-CD1 3.52Å; L121-I132 HydrophobicContact CD1-CG1 4.13Å; L121-I132 HydrophobicContact CD2-CD1 3.67Å; L121-I132 HydrophobicContact CD2-CG1 4.46Å; L121-I132 HydrophobicContact CG-CD1 4.25Å; L121-L185 HydrophobicContact CD2-CD2 4.06Å
122C91.2Very high91Very high35 Ų3543.3 Ų43.324%0.23624%0.237CC..EExtended strand (participates in β ladder)trans-77.2130173.2-172.40000110.3N72 E119 V129N72-C122 WeakPolarHBondContact O-CB 3.31Å; E119-C122 WeakPolarHBondContact O-CB 3.42Å; E119-C122 PolarHBondContact O-N 3.21Å; C122-V129 HydrophobicContact CB-CG1 4.29Å
123V90.4Very high91.4Very high21 Ų2142.6 Ų42.613%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-100.8-60.6174.5-174.30000109L63 K128 W130 V165 I167 V172L63-V123 HydrophobicContact CD2-CG2 4.08Å; V123-K128 PolarHBondContact N-O 2.65Å; V123-W130 HydrophobicContact CG2-CG 4.44Å; V123-W130 VanDerWaalsContact CG2-NE1 3.29Å; V123-V165 HydrophobicContact CG1-CG2 4.17Å; V123-V165 HydrophobicContact CG2-CG2 4.13Å; V123-I167 HydrophobicContact CG1-CD1 3.75Å; V123-I167 HydrophobicContact CG1-CG1 3.88Å; V123-I167 WeakPolarHBondContact O-CD1 3.45Å; V123-V172 HydrophobicContact CG1-CG1 4.14Å; V123-V172 HydrophobicContact CG1-CG2 4.27Å
124V90.6Very high91.8Very high32 Ų3241.9 Ų41.919%0.19422%0.221CC..EExtended strand (participates in β ladder)trans-124.9116173.7-178.60000108.2G126 E127 K128 V172V124-G126 PolarHBondContact O-N 3.4Å; V124-E127 HydrophobicContact CB-CB 4.3Å; V124-E127 HydrophobicContact CG1-CB 3.96Å; V124-E127 PolarHBondContact O-N 3.27Å; V124-E127 VanDerWaalsContact O-N 3.11Å; V124-K128 HydrophobicContact CB-CB 4.45Å; V124-K128 PolarHBondContact N-O 2.84Å; V124-K128 PolarHBondContact O-N 3.24Å; V124-K128 VanDerWaalsContact O-O 3.12Å; V124-V172 HydrophobicContact CG2-CG2 3.9Å
125S89.4Confident92.1Very high73 Ų7336 Ų3651%0.5120%0.196SC..THydrogen-bonded Turntrans-53.8122.8-179.5167.50000111.4N72 E127N72-S125 PolarHBondContact OD1-OG 3.49Å; S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 2.93Å
126G87.9Confident92.4Very high39 Ų3935.9 Ų35.940%0.40220%0.196SC..THydrogen-bonded Turntrans81.9-10.5176.900000115.6P71 V124P71-G126 PolarHBondContact O-N 3.11Å; P71-G126 VanDerWaalsContact O-N 3.16Å; V124-G126 PolarHBondContact O-N 3.4Å
127E89.9Confident92.5Very high84 Ų8438.3 Ų38.339%0.39321%0.207SC..THydrogen-bonded Turntrans-118.3-52.3-177.3-162.9-172.3163.800112.8V65 V124 S125V65-E127 WeakPolarHBondContact CA-O 3.35Å; V124-E127 HydrophobicContact CB-CB 4.3Å; V124-E127 HydrophobicContact CG1-CB 3.96Å; V124-E127 PolarHBondContact O-N 3.27Å; V124-E127 VanDerWaalsContact O-N 3.11Å; S125-E127 VanDerWaalsContact C-N 3.26Å; S125-E127 PolarHBondContact O-N 2.93Å
128K91Very high92.6Very high73 Ų7337.2 Ų37.232%0.31720%0.201SC..EExtended strand (participates in β ladder)trans-136.6117.5-174.9-60.9-65.2179.8-177.80110.9V123 V124 V172V123-K128 PolarHBondContact N-O 2.65Å; V124-K128 HydrophobicContact CB-CB 4.45Å; V124-K128 PolarHBondContact N-O 2.84Å; V124-K128 PolarHBondContact O-N 3.24Å; V124-K128 VanDerWaalsContact O-O 3.12Å; K128-V172 HydrophobicContact CG-CG2 4.46Å
129V93.8Very high92.6Very high0 Ų037.8 Ų37.80%020%0.202CC..EExtended strand (participates in β ladder)trans-127.7154.8170.9-58.60000110.4V64 P66 I75 C122 Q131V64-V129 PolarHBondContact N-O 3.12Å; V64-V129 WeakPolarHBondContact O-CG2 3.44Å; V64-V129 PolarHBondContact O-N 3.42Å; V64-V129 VanDerWaalsContact O-O 3.06Å; P66-V129 HydrophobicContact CB-CB 4.35Å; P66-V129 HydrophobicContact CB-CG1 3.7Å; P66-V129 HydrophobicContact CB-CG2 3.67Å; P66-V129 HydrophobicContact CG-CG1 3.84Å; P66-V129 HydrophobicContact CG-CG2 4.34Å; I75-V129 HydrophobicContact CG1-CG2 4.45Å; C122-V129 HydrophobicContact CB-CG1 4.29Å; V129-Q131 PolarHBondContact O-N 3.2Å
130W94.5Very high92.7Very high6 Ų634.9 Ų34.92%0.02319%0.191CC..EExtended strand (participates in β ladder)trans-72.8128.7170.8-67.4107.5000110.4L63 G74 I75 L121 V123 P163 V165 V174L63-W130 HydrophobicContact CD1-CH2 4.15Å; L63-W130 HydrophobicContact CD1-CZ3 4.3Å; L63-W130 HydrophobicContact CD2-CD2 3.61Å; L63-W130 HydrophobicContact CD2-CE3 3.57Å; L63-W130 HydrophobicContact CD2-CG 4.28Å; L63-W130 HydrophobicContact CD2-CH2 3.93Å; L63-W130 HydrophobicContact CD2-CZ2 3.96Å; L63-W130 HydrophobicContact CD2-CZ3 3.76Å; L63-W130 HydrophobicContact CG-CD2 4.31Å; L63-W130 HydrophobicContact CG-CE3 3.77Å; L63-W130 HydrophobicContact CG-CH2 3.82Å; L63-W130 HydrophobicContact CG-CZ2 4.35Å; L63-W130 HydrophobicContact CG-CZ3 3.52Å; G74-W130 WeakPolarHBondContact CA-O 3.32Å; I75-W130 PolarHBondContact N-O 3.14Å; I75-W130 VanDerWaalsContact N-O 3.11Å; L121-W130 HydrophobicContact CB-CB 4.06Å; L121-W130 HydrophobicContact CD2-CB 4.23Å; L121-W130 WeakPolarHBondContact O-CB 3.26Å; L121-W130 PolarHBondContact O-N 2.94Å; V123-W130 HydrophobicContact CG2-CG 4.44Å; V123-W130 VanDerWaalsContact CG2-NE1 3.29Å; W130-P163 HydrophobicContact CH2-CG 3.74Å; W130-P163 HydrophobicContact CZ2-CG 4.47Å; W130-P163 HydrophobicContact CZ3-CG 4.31Å; W130-V165 HydrophobicContact CH2-CG1 4Å; W130-V165 HydrophobicContact CZ2-CB 4.38Å; W130-V165 HydrophobicContact CZ2-CG1 3.42Å; W130-V165 VanDerWaalsContact CZ2-CG1 3.42Å; W130-V165 HydrophobicContact CZ2-CG2 4.05Å; W130-V174 HydrophobicContact CH2-CG1 4.45Å
131Q95Very high92.7Very high44 Ų4434.2 Ų34.221%0.20619%0.185CC..EExtended strand (participates in β ladder)trans-99.3117164.9179.9173.4-40.100108.2C61 E62 V64 I75 V129C61-Q131 WeakPolarHBondContact CA-O 3.28Å; E62-Q131 PolarHBondContact N-O 3.41Å; E62-Q131 PolarHBondContact O-N 3.29Å; V64-Q131 HydrophobicContact CB-CB 4.16Å; V64-Q131 HydrophobicContact CG2-CB 3.85Å; I75-Q131 HydrophobicContact CB-CB 4.43Å; I75-Q131 HydrophobicContact CB-CG 4.26Å; I75-Q131 HydrophobicContact CG2-CG 4.34Å; I75-Q131 CarbonylContact O-C 3.58Å; I75-Q131 VanDerWaalsContact O-CA 3.28Å; I75-Q131 WeakPolarHBondContact O-CA 3.48Å; V129-Q131 PolarHBondContact O-N 3.2Å
132I95.1Very high92.7Very high2 Ų235.7 Ų35.71%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-100.7126.5173.9-61178.6000108.3V59 I75 M76 F77 L121 V134 L157 L185V59-I132 HydrophobicContact CG1-CG2 3.62Å; I75-I132 PolarHBondContact O-N 3.36Å; M76-I132 CarbonylContact C-O 3.56Å; M76-I132 VanDerWaalsContact CA-O 3.32Å; M76-I132 WeakPolarHBondContact CA-O 3.32Å; F77-I132 PolarHBondContact N-O 3.27Å; L121-I132 HydrophobicContact CD1-CD1 3.52Å; L121-I132 HydrophobicContact CD1-CG1 4.13Å; L121-I132 HydrophobicContact CD2-CD1 3.67Å; L121-I132 HydrophobicContact CD2-CG1 4.46Å; L121-I132 HydrophobicContact CG-CD1 4.25Å; I132-V134 HydrophobicContact CG2-CG2 4.36Å; I132-L157 HydrophobicContact CG2-CD2 4.4Å; I132-L185 HydrophobicContact CD1-CD1 3.75Å; I132-L185 HydrophobicContact CD1-CD2 3.64Å; I132-L185 HydrophobicContact CD1-CG 4.36Å
133R95.4Very high92.6Very high97 Ų9734 Ų3437%0.36618%0.181SC..EExtended strand (participates in β ladder)trans-116.2125.8175.6168.1170.3-175.8-174.5-1.2109.6V59 S60 F77 D135V59-R133 CarbonylContact C-O 3.54Å; V59-R133 WeakPolarHBondContact CA-O 3.36Å; S60-R133 PolarHBondContact N-O 2.74Å; S60-R133 PolarHBondContact O-N 3.48Å; S60-R133 WeakPolarHBondContact OG-CB 3.44Å; S60-R133 PolarHBondContact OG-O 3.16Å; F77-R133 HydrophobicContact CB-CB 4.34Å; F77-R133 HydrophobicContact CD1-CG 4.01Å; F77-R133 CarbonylContact O-C 3.49Å; F77-R133 WeakPolarHBondContact O-CA 3.35Å; R133-D135 WeakPolarHBondContact CD-OD2 3.47Å; R133-D135 WeakPolarHBondContact CG-OD2 3.36Å; R133-D135 IonicContact CZ-OD1 3.08Å; R133-D135 VanDerWaalsContact CZ-OD1 3.32Å; R133-D135 IonicContact CZ-OD2 3Å; R133-D135 VanDerWaalsContact NE-CG 3.3Å; R133-D135 IonicContact NE-OD1 3.56Å; R133-D135 PolarHBondContact NE-OD1 2.96Å; R133-D135 IonicContact NE-OD2 2.87Å; R133-D135 PolarHBondContact NE-OD2 2.92Å; R133-D135 IonicContact NH2-OD1 3.91Å; R133-D135 PolarHBondContact NH2-OD1 3.29Å; R133-D135 IonicContact NH2-OD2 2.64Å
134V95.8Very high92.7Very high2 Ų233 Ų331%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-110.6111.6174.9-173.50000108Q58 V59 F77 F78 N79 I132 V136 A153 L157Q58-V134 WeakPolarHBondContact O-CA 3.46Å; V59-V134 HydrophobicContact CG1-CG2 4.45Å; V59-V134 HydrophobicContact CG2-CG1 4.36Å; V59-V134 HydrophobicContact CG2-CG2 4.13Å; F77-V134 PolarHBondContact O-N 2.81Å; F78-V134 HydrophobicContact CD1-CB 3.78Å; F78-V134 HydrophobicContact CD1-CG1 4.45Å; F78-V134 HydrophobicContact CD1-CG2 4.01Å; F78-V134 HydrophobicContact CE1-CB 4.05Å; F78-V134 HydrophobicContact CE1-CG2 3.75Å; N79-V134 PolarHBondContact N-O 3.48Å; I132-V134 HydrophobicContact CG2-CG2 4.36Å; V134-V136 HydrophobicContact CG1-CG2 4.21Å; V134-A153 HydrophobicContact CG1-CB 4.32Å; V134-L157 HydrophobicContact CG2-CD1 4.48Å; V134-L157 HydrophobicContact CG2-CD2 3.67Å; V134-L157 HydrophobicContact CG2-CG 4.12Å
135D95.4Very high92.8Very high19 Ų1932 Ų3210%0.10217%0.169CC..EExtended strand (participates in β ladder)trans-101122.8173.9-66.3-66000108.9A57 Q58 N79 R133A57-D135 CarbonylContact C-O 3.58Å; A57-D135 WeakPolarHBondContact CA-O 3.32Å; Q58-D135 PolarHBondContact N-O 3.28Å; Q58-D135 PolarHBondContact O-N 3.02Å; N79-D135 VanDerWaalsContact CB-OD1 3.31Å; N79-D135 WeakPolarHBondContact CB-OD1 3.38Å; N79-D135 PolarHBondContact ND2-OD1 2.88Å; N79-D135 CarbonylContact O-C 3.58Å; N79-D135 WeakPolarHBondContact O-CA 3.42Å; R133-D135 WeakPolarHBondContact CD-OD2 3.47Å; R133-D135 WeakPolarHBondContact CG-OD2 3.36Å; R133-D135 IonicContact CZ-OD1 3.08Å; R133-D135 VanDerWaalsContact CZ-OD1 3.32Å; R133-D135 IonicContact CZ-OD2 3Å; R133-D135 VanDerWaalsContact NE-CG 3.3Å; R133-D135 IonicContact NE-OD1 3.56Å; R133-D135 PolarHBondContact NE-OD1 2.96Å; R133-D135 IonicContact NE-OD2 2.87Å; R133-D135 PolarHBondContact NE-OD2 2.92Å; R133-D135 IonicContact NH2-OD1 3.91Å; R133-D135 PolarHBondContact NH2-OD1 3.29Å; R133-D135 IonicContact NH2-OD2 2.64Å
136V95.3Very high93Very high1 Ų128.9 Ų28.91%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-110.7113.7178.1-176.80000107.8V55 M56 A57 N79 L80 E81 V134 A149 A153V55-V136 HydrophobicContact CG1-CG1 3.28Å; M56-V136 CarbonylContact O-C 3.6Å; M56-V136 WeakPolarHBondContact O-CA 3.45Å; A57-V136 HydrophobicContact CB-CG2 4.25Å; N79-V136 PolarHBondContact O-N 2.98Å; L80-V136 CarbonylContact C-O 3.56Å; L80-V136 WeakPolarHBondContact CA-O 3.33Å; L80-V136 HydrophobicContact CB-CB 4.48Å; L80-V136 HydrophobicContact CD1-CG1 4.43Å; L80-V136 HydrophobicContact CG-CB 4.35Å; L80-V136 HydrophobicContact CG-CG1 4.4Å; E81-V136 PolarHBondContact N-O 2.99Å; V134-V136 HydrophobicContact CG1-CG2 4.21Å; V136-A149 HydrophobicContact CG1-CB 4.04Å; V136-A153 HydrophobicContact CG2-CB 4.31Å
137H93.9Very high93.3Very high56 Ų5627.1 Ų27.126%0.25913%0.128SC..EExtended strand (participates in β ladder)trans-104.2124.5177.6-60.9-75.3000110.1M56 E81M56-H137 PolarHBondContact N-O 2.81Å; M56-H137 PolarHBondContact O-N 3.02Å; E81-H137 IonicContact OE2-CE1 3.65Å; E81-H137 PolarHBondContact OE2-CE1 3.43Å; E81-H137 IonicContact OE2-ND1 3.58Å; E81-H137 PolarHBondContact OE2-ND1 2.82Å
138T93Very high93.5Very high0 Ų023.2 Ų23.20%011%0.11CC..EExtended strand (participates in β ladder)trans-81.8121.7173.4-490000109.1E81 S83 A86 L145E81-T138 PolarHBondContact O-N 2.81Å; S83-T138 WeakPolarHBondContact CB-O 3.34Å; A86-T138 HydrophobicContact CB-CG2 3.62Å; T138-L145 HydrophobicContact CG2-CD1 3.41Å; T138-L145 VanDerWaalsContact CG2-CD1 3.41Å; T138-L145 HydrophobicContact CG2-CD2 3.94Å; T138-L145 HydrophobicContact CG2-CG 4.35Å; T138-L145 WeakPolarHBondContact OG1-CD1 3.29Å
139L92.9Very high93.7Very high50 Ų5019.8 Ų19.826%0.26210%0.095SC..EExtended strand (participates in β ladder)trans-97-42.3-179.5-61.3-179.2000111.9F47 R54 M56 M85 A86F47-L139 HydrophobicContact CD1-CD1 4.28Å; F47-L139 HydrophobicContact CE1-CD1 4.28Å; R54-L139 HydrophobicContact CB-CB 4.2Å; R54-L139 HydrophobicContact CG-CB 3.93Å; R54-L139 HydrophobicContact CG-CD1 3.83Å; R54-L139 HydrophobicContact CG-CG 4.35Å; R54-L139 PolarHBondContact O-N 2.94Å; M56-L139 HydrophobicContact CB-CD1 4.03Å; M56-L139 HydrophobicContact CB-CG 4.28Å; M85-L139 CarbonylContact C-O 3.54Å; A86-L139 WeakPolarHBondContact CA-O 3.26Å; A86-L139 PolarHBondContact N-O 2.83Å
140N93.4Very high93.8Very high65 Ų6519.8 Ų19.835%0.34810%0.095SC..EExtended strand (participates in β ladder)trans-138.5136.7175.5-168.422.9000110.1Q52 T53 R54Q52-N140 PolarHBondContact O-ND2 2.8Å; T53-N140 WeakPolarHBondContact CA-O 3.44Å; R54-N140 HydrophobicContact CB-CB 4.1Å; R54-N140 PolarHBondContact N-O 3.48Å; R54-N140 PolarHBondContact O-N 2.92Å; R54-N140 VanDerWaalsContact O-N 3.1Å
141N91.4Very high93.8Very high20 Ų2019.7 Ų19.711%0.10710%0.095CC..  trans-115103.8179.6-179.140.1000111.1A86 F90 G143A86-N141 HydrophobicContact CB-CB 4.13Å; A86-N141 WeakPolarHBondContact O-CB 3.41Å; A86-N141 PolarHBondContact O-N 3.39Å; F90-N141 HydrophobicContact CE2-CB 4.25Å; N141-G143 PolarHBondContact OD1-N 2.97Å
142D91.1Very high93.9Very high30 Ų3017.6 Ų17.616%0.169%0.085CC..SBendtrans-118.333.9171.4-179.142.1000110.4R33 Q52 T53 E211R33-D142 PolarHBondContact NH1-O 3.36Å; R33-D142 IonicContact NH1-OD2 3.02Å; R33-D142 PolarHBondContact NH1-OD2 3.13Å; Q52-D142 HydrophobicContact CB-CB 3.73Å; Q52-D142 WeakPolarHBondContact CB-OD2 3.34Å; T53-D142 VanDerWaalsContact OG1-C 3.24Å; T53-D142 WeakPolarHBondContact OG1-CA 3.17Å; T53-D142 PolarHBondContact OG1-N 3.29Å; D142-E211 PolarHBondContact O-N 3.04Å; D142-E211 VanDerWaalsContact O-N 3.11Å
143G89.3Confident93.9Very high0 Ų017.5 Ų17.50%09%0.085CC..SBendtrans88162.7-178.900000114.5R33 T53 N141R33-G143 PolarHBondContact NH2-O 2.94Å; T53-G143 PolarHBondContact OG1-O 3.3Å; N141-G143 PolarHBondContact OD1-N 2.97Å
144N92.1Very high93.9Very high1 Ų113 Ų131%0.0057%0.068CC..  trans51.752.8-175.8-163.314.4000115L50 M146 D147 S195 D208 E214L50-N144 HydrophobicContact CD2-CB 4.19Å; N144-M146 VanDerWaalsContact C-N 3.29Å; N144-M146 PolarHBondContact O-N 2.86Å; N144-D147 WeakPolarHBondContact ND2-CB 3.25Å; N144-D147 VanDerWaalsContact ND2-CG 3.33Å; N144-D147 PolarHBondContact ND2-OD2 3.06Å; N144-D147 WeakPolarHBondContact OD1-CB 3.27Å; N144-D147 PolarHBondContact OD1-OD2 2.93Å; N144-S195 WeakPolarHBondContact OD1-CB 3.36Å; N144-S195 PolarHBondContact OD1-OG 2.97Å; N144-D208 WeakPolarHBondContact CB-OD1 3.37Å; N144-D208 PolarHBondContact ND2-OD1 2.95Å; N144-E214 WeakPolarHBondContact CA-OE1 3.35Å; N144-E214 PolarHBondContact N-OE1 2.84Å
145L92.6Very high93.9Very high11 Ų1113 Ų136%0.0587%0.067CC..Hα-helixtrans-65.2-32.7-178.7-176.455000113.3T53 V55 L82 L102 T138 A149T53-L145 HydrophobicContact CG2-CD1 4.43Å; V55-L145 HydrophobicContact CG2-CD1 3.55Å; L82-L145 HydrophobicContact CD2-CD2 3.39Å; L102-L145 HydrophobicContact CD1-CB 4.33Å; L102-L145 HydrophobicContact CD1-CD2 3.61Å; L102-L145 HydrophobicContact CD1-CG 4.09Å; T138-L145 HydrophobicContact CG2-CD1 3.41Å; T138-L145 VanDerWaalsContact CG2-CD1 3.41Å; T138-L145 HydrophobicContact CG2-CD2 3.94Å; T138-L145 HydrophobicContact CG2-CG 4.35Å; T138-L145 WeakPolarHBondContact OG1-CD1 3.29Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.14Å
146M93.4Very high93.9Very high6 Ų612 Ų123%0.036%0.063CC..Hα-helixtrans-65.9-43.8-175.2-173.563.6-148.300112.2L102 Q105 L106 N144 A149 S150 S193 M222L102-M146 HydrophobicContact CD2-CB 3.84Å; L102-M146 HydrophobicContact CD2-CG 4.31Å; L102-M146 HydrophobicContact CD2-SD 3.9Å; Q105-M146 HydrophobicContact CB-CE 4.33Å; Q105-M146 HydrophobicContact CB-SD 4.18Å; Q105-M146 HydrophobicContact CG-CE 3.76Å; Q105-M146 HydrophobicContact CG-SD 3.88Å; L106-M146 HydrophobicContact CB-CE 4.07Å; L106-M146 HydrophobicContact CD1-CE 4.31Å; N144-M146 VanDerWaalsContact C-N 3.29Å; N144-M146 PolarHBondContact O-N 2.86Å; M146-A149 PolarHBondContact O-N 2.86Å; M146-S150 PolarHBondContact O-N 2.94Å; M146-S193 PolarHBondContact O-OG 3.21Å; M146-M222 HydrophobicContact CB-CE 3.75Å; M146-M222 HydrophobicContact CB-SD 4.37Å; M146-M222 HydrophobicContact CG-CE 3.46Å; M146-M222 VanDerWaalsContact CG-CE 3.46Å; M146-M222 HydrophobicContact CG-SD 4.37Å
147D94.6Very high93.8Very high3 Ų312.1 Ų12.12%0.0166%0.063CC..Hα-helixtrans-67.3-46.9179.7-67.3-2.4000110.6Y32 N144 A149 S150 V151 S193 V194 S195 M222Y32-D147 HydrophobicContact CE1-CB 4.42Å; Y32-D147 PolarHBondContact OH-OD2 2.89Å; N144-D147 WeakPolarHBondContact ND2-CB 3.25Å; N144-D147 VanDerWaalsContact ND2-CG 3.33Å; N144-D147 PolarHBondContact ND2-OD2 3.06Å; N144-D147 WeakPolarHBondContact OD1-CB 3.27Å; N144-D147 PolarHBondContact OD1-OD2 2.93Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.8Å; D147-S150 PolarHBondContact O-N 2.84Å; D147-S150 PolarHBondContact O-OG 2.95Å; D147-V151 WeakPolarHBondContact O-CG2 3.33Å; D147-V151 PolarHBondContact O-N 3.05Å; D147-S193 WeakPolarHBondContact CA-OG 3.4Å; D147-S193 PolarHBondContact OD1-OG 2.65Å; D147-V194 WeakPolarHBondContact OD1-CA 3.46Å; D147-V194 PolarHBondContact OD1-N 3.14Å; D147-V194 WeakPolarHBondContact OD2-CA 3.38Å; D147-S195 PolarHBondContact OD1-N 2.92Å; D147-S195 PolarHBondContact OD1-OG 3.35Å; D147-S195 PolarHBondContact OD2-N 2.9Å; D147-M222 VanDerWaalsContact OD1-CE 3.23Å; D147-M222 WeakPolarHBondContact OD1-CE 3.49Å
148A95Very high93.9Very high2 Ų210.6 Ų10.62%0.0176%0.058CC..Hα-helixtrans-57.9-42.8174.800000111.9L50 T53 V55 V151 A152L50-A148 HydrophobicContact CB-CB 4.25Å; L50-A148 HydrophobicContact CD2-CB 4.24Å; T53-A148 HydrophobicContact CG2-CB 4.19Å; V55-A148 HydrophobicContact CB-CB 4.48Å; V55-A148 HydrophobicContact CG2-CB 3.72Å; A148-V151 PolarHBondContact O-N 3.19Å; A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.31Å; A148-A152 PolarHBondContact O-N 2.73Å
149A95.4Very high93.9Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-65.2-39.8176.700000112.8L80 L106 V136 L145 M146 D147 A152 A153L80-A149 HydrophobicContact CD1-CB 3.74Å; L106-A149 HydrophobicContact CD1-CB 3.85Å; V136-A149 HydrophobicContact CG1-CB 4.04Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 3.14Å; M146-A149 PolarHBondContact O-N 2.86Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.8Å; A149-A152 PolarHBondContact O-N 3.38Å; A149-A153 VanDerWaalsContact O-CB 3.29Å; A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.36Å
150S94.9Very high94Very high1 Ų19.3 Ų9.31%0.0075%0.051CC..Hα-helixtrans-65.3-43.6177.3760000111.8M146 D147 A153 I154 S193M146-S150 PolarHBondContact O-N 2.94Å; D147-S150 PolarHBondContact O-N 2.84Å; D147-S150 PolarHBondContact O-OG 2.95Å; S150-A153 PolarHBondContact O-N 3.11Å; S150-I154 WeakPolarHBondContact O-CB 3.37Å; S150-I154 WeakPolarHBondContact O-CG1 3.26Å; S150-I154 PolarHBondContact O-N 3.27Å; S150-S193 PolarHBondContact OG-N 3.04Å; S150-S193 PolarHBondContact OG-OG 3.09Å
151V95.6Very high94Very high4 Ų410 Ų102%0.0245%0.049CC..Hα-helixtrans-65.8-42.3177175.70000110.6I37 V48 D147 A148 G155 I192 I261 I265I37-V151 HydrophobicContact CD1-CG1 3.96Å; I37-V151 HydrophobicContact CG1-CG1 4.42Å; V48-V151 HydrophobicContact CG1-CB 4.39Å; V48-V151 HydrophobicContact CG1-CG1 4.06Å; V48-V151 HydrophobicContact CG2-CG1 4.09Å; D147-V151 WeakPolarHBondContact O-CG2 3.33Å; D147-V151 PolarHBondContact O-N 3.05Å; A148-V151 PolarHBondContact O-N 3.19Å; V151-G155 PolarHBondContact O-N 3.35Å; V151-I192 HydrophobicContact CG2-CG2 4.07Å; V151-I261 HydrophobicContact CG1-CG2 4.42Å; V151-I261 HydrophobicContact CG2-CG2 3.68Å; V151-I265 HydrophobicContact CG1-CD1 4.15Å; V151-I265 HydrophobicContact CG1-CG1 4.24Å
152A95.9Very high94Very high0 Ų011 Ų110%05%0.051CC..Hα-helixtrans-63.9-46.6177.700000111.8V48 V55 A57 A148 A149 G155 A156V48-A152 HydrophobicContact CB-CB 4.12Å; V48-A152 HydrophobicContact CG2-CB 3.66Å; V55-A152 HydrophobicContact CB-CB 4.37Å; V55-A152 HydrophobicContact CG1-CB 3.97Å; A57-A152 HydrophobicContact CB-CB 3.79Å; A57-A152 WeakPolarHBondContact CB-O 3.39Å; A148-A152 VanDerWaalsContact O-CB 3.26Å; A148-A152 WeakPolarHBondContact O-CB 3.31Å; A148-A152 PolarHBondContact O-N 2.73Å; A149-A152 PolarHBondContact O-N 3.38Å; A152-G155 PolarHBondContact O-N 2.68Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 3.14Å
153A95.9Very high94.1Very high0 Ų011.2 Ų11.20%05%0.054CC..Hα-helixtrans-61.8-47.5178.600000111.8L110 V134 V136 A149 S150 A156 L157L110-A153 HydrophobicContact CD1-CB 3.93Å; V134-A153 HydrophobicContact CG1-CB 4.32Å; V136-A153 HydrophobicContact CG2-CB 4.31Å; A149-A153 VanDerWaalsContact O-CB 3.29Å; A149-A153 WeakPolarHBondContact O-CB 3.45Å; A149-A153 PolarHBondContact O-N 3.36Å; S150-A153 PolarHBondContact O-N 3.11Å; A153-A156 PolarHBondContact O-N 2.87Å; A153-L157 WeakPolarHBondContact O-CB 3.02Å; A153-L157 WeakPolarHBondContact O-CD1 3.23Å; A153-L157 WeakPolarHBondContact O-CG 3.21Å; A153-L157 PolarHBondContact O-N 3.48Å
154I95.3Very high94.1Very high3 Ų312.8 Ų12.82%0.0156%0.063CC..Hα-helixtrans-65.8-43.7177.7-67.8-59.8000111.6L110 S150 A156 L157 C158 M190 P191 I265L110-I154 HydrophobicContact CD2-CD1 3.44Å; L110-I154 VanDerWaalsContact CD2-CD1 3.44Å; L110-I154 HydrophobicContact CD2-CG1 4.12Å; S150-I154 WeakPolarHBondContact O-CB 3.37Å; S150-I154 WeakPolarHBondContact O-CG1 3.26Å; S150-I154 PolarHBondContact O-N 3.27Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.19Å; I154-L157 HydrophobicContact CD1-CD1 4.41Å; I154-L157 PolarHBondContact O-N 3.45Å; I154-C158 WeakPolarHBondContact O-CB 3.25Å; I154-C158 PolarHBondContact O-N 3.03Å; I154-C158 PolarHBondContact O-SG 3.11Å; I154-M190 HydrophobicContact CG2-CB 3.87Å; I154-M190 HydrophobicContact CG2-CG 3.8Å; I154-M190 HydrophobicContact CG2-SD 4.37Å; I154-P191 HydrophobicContact CD1-CG 4.12Å; I154-I265 HydrophobicContact CG2-CD1 4.36Å
155G94.5Very high94Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-59.5-43.8176.500000112V151 A152 C158 H159V151-G155 PolarHBondContact O-N 3.35Å; A152-G155 PolarHBondContact O-N 2.68Å; G155-C158 PolarHBondContact O-N 3.37Å; G155-H159 VanDerWaalsContact O-CB 3.25Å; G155-H159 WeakPolarHBondContact O-CB 3.39Å; G155-H159 PolarHBondContact O-N 3.12Å
156A95.5Very high93.8Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-65.7-43.8177.300000112.1C46 A57 V59 A152 A153 I154 C158 H159 F160C46-A156 HydrophobicContact CB-CB 3.81Å; A57-A156 HydrophobicContact CB-CB 3.73Å; V59-A156 HydrophobicContact CG2-CB 3.77Å; A152-A156 WeakPolarHBondContact O-CB 3.44Å; A152-A156 PolarHBondContact O-N 3.14Å; A153-A156 PolarHBondContact O-N 2.87Å; I154-A156 VanDerWaalsContact C-N 3.32Å; I154-A156 PolarHBondContact O-N 3.19Å; A156-C158 PolarHBondContact O-N 2.76Å; A156-H159 PolarHBondContact O-N 3.47Å; A156-F160 WeakPolarHBondContact O-CB 3.41Å; A156-F160 PolarHBondContact O-N 2.73Å
157L94.7Very high93.5Very high2 Ų218.5 Ų18.51%0.0110%0.095CC..Hα-helixtrans-62.1-40.6176.7-76.3165.4000112.7V59 F78 I116 I132 V134 A153 I154 H159 L185 I187V59-L157 HydrophobicContact CG2-CD2 4.29Å; F78-L157 HydrophobicContact CE1-CD1 4.46Å; I116-L157 HydrophobicContact CD1-CD1 3.73Å; I116-L157 HydrophobicContact CD1-CD2 3.57Å; I116-L157 HydrophobicContact CD1-CG 4.18Å; I132-L157 HydrophobicContact CG2-CD2 4.4Å; V134-L157 HydrophobicContact CG2-CD1 4.48Å; V134-L157 HydrophobicContact CG2-CD2 3.67Å; V134-L157 HydrophobicContact CG2-CG 4.12Å; A153-L157 WeakPolarHBondContact O-CB 3.02Å; A153-L157 WeakPolarHBondContact O-CD1 3.23Å; A153-L157 WeakPolarHBondContact O-CG 3.21Å; A153-L157 PolarHBondContact O-N 3.48Å; I154-L157 HydrophobicContact CD1-CD1 4.41Å; I154-L157 PolarHBondContact O-N 3.45Å; L157-H159 VanDerWaalsContact C-N 3.32Å; L157-L185 HydrophobicContact CD2-CD1 4.19Å; L157-I187 HydrophobicContact CB-CD1 4.35Å
158C94.3Very high93.2Very high25 Ų2525.1 Ų25.117%0.16913%0.126CC..Hα-helixtrans-71-29.3176.7-63.20000112.9I154 G155 A156 I187 L269I154-C158 WeakPolarHBondContact O-CB 3.25Å; I154-C158 PolarHBondContact O-N 3.03Å; I154-C158 PolarHBondContact O-SG 3.11Å; G155-C158 PolarHBondContact O-N 3.37Å; A156-C158 PolarHBondContact O-N 2.76Å; C158-I187 HydrophobicContact CB-CD1 4.04Å; C158-I187 WeakPolarHBondContact SG-CD1 3.38Å; C158-L269 HydrophobicContact CB-CD1 3.51Å; C158-L269 HydrophobicContact CB-CD2 4.11Å; C158-L269 HydrophobicContact CB-CG 4.46Å
159H94Very high92.6Very high8 Ų828.3 Ų28.34%0.03716%0.159CC..Hα-helixtrans-82.8-27.7178.5-177.7-125.5000112.5F39 D42 Y43 G44 C45 G155 A156 L157 L269 D272 R276F39-H159 HydrophobicContact CD1-CB 3.86Å; F39-H159 AromaticContact CD1-CD2 3.97Å; F39-H159 AromaticContact CD1-CG 3.58Å; F39-H159 AromaticContact CD1-ND1 3.73Å; F39-H159 HydrophobicContact CE1-CB 3.84Å; D42-H159 PolarHBondContact O-CE1 3.08Å; D42-H159 VanDerWaalsContact O-CE1 3.28Å; Y43-H159 AromaticContact CD1-NE2 3.69Å; G44-H159 PolarHBondContact N-ND1 3.39Å; C45-H159 PolarHBondContact O-ND1 3.24Å; G155-H159 VanDerWaalsContact O-CB 3.25Å; G155-H159 WeakPolarHBondContact O-CB 3.39Å; G155-H159 PolarHBondContact O-N 3.12Å; A156-H159 PolarHBondContact O-N 3.47Å; L157-H159 VanDerWaalsContact C-N 3.32Å; H159-L269 HydrophobicContact CB-CD2 4.16Å; H159-D272 IonicContact CD2-OD2 3.82Å; H159-D272 IonicContact NE2-OD2 2.75Å; H159-D272 PolarHBondContact NE2-OD2 2.84Å; H159-R276 PolarHBondContact CE1-NH2 2.9Å; H159-R276 VanDerWaalsContact CE1-NH2 3.26Å; H159-R276 PolarHBondContact NE2-NH2 3.21Å
160F95.4Very high91.8Very high15 Ų1536.2 Ų36.27%0.06620%0.196CC..  trans-65.4142.3-177.2-176.9-102.5000112.5V59 C61 A156 R162 L185V59-F160 HydrophobicContact CB-CB 3.93Å; V59-F160 HydrophobicContact CB-CD2 3.6Å; V59-F160 HydrophobicContact CB-CE2 4.25Å; V59-F160 HydrophobicContact CB-CG 3.75Å; V59-F160 HydrophobicContact CG1-CB 4.01Å; V59-F160 HydrophobicContact CG1-CD1 3.79Å; V59-F160 HydrophobicContact CG1-CD2 3.66Å; V59-F160 HydrophobicContact CG1-CE1 4.16Å; V59-F160 HydrophobicContact CG1-CE2 4.04Å; V59-F160 HydrophobicContact CG1-CG 3.51Å; V59-F160 HydrophobicContact CG1-CZ 4.29Å; V59-F160 HydrophobicContact CG2-CB 4.21Å; C61-F160 HydrophobicContact CB-CE1 3.9Å; C61-F160 HydrophobicContact CB-CZ 3.47Å; C61-F160 VanDerWaalsContact CB-CZ 3.47Å; A156-F160 WeakPolarHBondContact O-CB 3.41Å; A156-F160 PolarHBondContact O-N 2.73Å; F160-R162 HydrophobicContact CE1-CB 4.07Å; F160-L185 HydrophobicContact CB-CD1 4.47Å; F160-L185 HydrophobicContact CD1-CD1 3.68Å; F160-L185 HydrophobicContact CD1-CD2 4.28Å; F160-L185 HydrophobicContact CD1-CG 3.89Å; F160-L185 HydrophobicContact CE1-CD1 4.49Å
161R92.6Very high91.2Very high79 Ų7942.8 Ų42.830%0.29823%0.226SC..EExtended strand (participates in β ladder)trans-130.8131174.2-57.3-177.1176.9-137.79.9108.8Y43 P182 I183Y43-R161 HydrophobicContact CD1-CG 4.04Å; Y43-R161 HydrophobicContact CG-CB 4.39Å; Y43-R161 HydrophobicContact CG-CG 4.11Å; R161-P182 HydrophobicContact CB-CB 3.71Å; R161-P182 HydrophobicContact CB-CG 4.02Å; R161-P182 PolarHBondContact NH1-O 2.69Å; R161-I183 CarbonylContact C-O 3.59Å; R161-I183 VanDerWaalsContact CA-O 3.29Å; R161-I183 WeakPolarHBondContact CA-O 3.33Å
162R92Very high90.8Very high40 Ų4044.4 Ų44.415%0.15124%0.236CC..EExtended strand (participates in β ladder)trans-87.2150.6176.866.4172.2178.5172.6-4.2110.8S120 F160 P182 I183S120-R162 PolarHBondContact O-NH1 2.91Å; S120-R162 PolarHBondContact O-NH2 3.35Å; F160-R162 HydrophobicContact CE1-CB 4.07Å; R162-P182 CarbonylContact O-C 3.58Å; R162-P182 WeakPolarHBondContact O-CA 3.3Å; R162-P182 WeakPolarHBondContact O-CB 3.44Å; R162-I183 HydrophobicContact CG-CB 4.3Å; R162-I183 WeakPolarHBondContact CG-O 3.08Å; R162-I183 PolarHBondContact N-O 3.5Å; R162-I183 PolarHBondContact O-N 3.47Å
163P92.2Very high90.3Very high36 Ų3646.5 Ų46.523%0.23425%0.249CC..PPolyproline II helixtrans-64.5150.6170.228.5-34.6000111W130 V174W130-P163 HydrophobicContact CH2-CG 3.74Å; W130-P163 HydrophobicContact CZ2-CG 4.47Å; W130-P163 HydrophobicContact CZ3-CG 4.31Å; P163-V174 HydrophobicContact CB-CG1 4.01Å; P163-V174 HydrophobicContact CG-CG1 4.05Å
164D90.6Very high90Very high33 Ų3349.8 Ų49.818%0.17627%0.269CS..PPolyproline II helixtrans-77.3147.8177.1-170.325.3000111.1Y175 R180 I183D164-Y175 PolarHBondContact O-N 2.86Å; D164-R180 HydrophobicContact CB-CB 4.25Å; D164-R180 WeakPolarHBondContact OD2-CD 3.47Å; D164-R180 IonicContact OD2-CZ 3.61Å; D164-R180 IonicContact OD2-NE 3.32Å; D164-R180 IonicContact OD2-NH1 2.85Å; D164-R180 PolarHBondContact OD2-NH1 2.97Å; D164-I183 HydrophobicContact CB-CD1 3.99Å; D164-I183 HydrophobicContact CB-CG1 4.45Å; D164-I183 VanDerWaalsContact OD1-CD1 3.27Å; D164-I183 WeakPolarHBondContact OD1-CD1 3.28Å
165V89.9Confident89.8Confident27 Ų2752.2 Ų52.216%0.16428%0.278CS..EExtended strand (participates in β ladder)trans-128.8132.3179.4-81.50000110.1V123 W130 V172 T173 V174V123-V165 HydrophobicContact CG1-CG2 4.17Å; V123-V165 HydrophobicContact CG2-CG2 4.13Å; W130-V165 HydrophobicContact CH2-CG1 4Å; W130-V165 HydrophobicContact CZ2-CB 4.38Å; W130-V165 HydrophobicContact CZ2-CG1 3.42Å; W130-V165 VanDerWaalsContact CZ2-CG1 3.42Å; W130-V165 HydrophobicContact CZ2-CG2 4.05Å; V165-V172 HydrophobicContact CB-CG1 4.5Å; V165-V172 HydrophobicContact CG1-CG1 4.24Å; V165-T173 WeakPolarHBondContact CA-O 3.48Å; V165-V174 HydrophobicContact CG1-CB 4.28Å; V165-V174 HydrophobicContact CG1-CG1 4.39Å; V165-V174 HydrophobicContact CG1-CG2 3.8Å
166S88Confident89.4Confident22 Ų2254.3 Ų54.315%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-107.8144.8165.977.90000111.6T173 Y175S166-T173 PolarHBondContact N-O 2.72Å; S166-T173 PolarHBondContact O-N 2.68Å; S166-T173 PolarHBondContact O-OG1 3.4Å; S166-T173 PolarHBondContact OG-OG1 3.23Å; S166-Y175 WeakPolarHBondContact OG-CE2 3.33Å; S166-Y175 PolarHBondContact OG-OH 3.28Å
167I87.9Confident88.8Confident88 Ų8858.7 Ų58.745%0.45132%0.321SS..EExtended strand (participates in β ladder)trans-112.3119.1-179.1-55.7167.6000106.8V123 G169V123-I167 HydrophobicContact CG1-CD1 3.75Å; V123-I167 HydrophobicContact CG1-CG1 3.88Å; V123-I167 WeakPolarHBondContact O-CD1 3.45Å; I167-G169 VanDerWaalsContact CG2-O 3.27Å; I167-G169 WeakPolarHBondContact CG2-O 3.47Å
168Q87.2Confident88.4Confident143 Ų14367.5 Ų67.567%0.66836%0.362SS*.EExtended strand (participates in β ladder)trans-118.591.6169.5-66.8-174.141.900108.1E170 E171Q168-E170 PolarHBondContact O-N 2.93Å; Q168-E171 PolarHBondContact N-O 2.97Å; Q168-E171 VanDerWaalsContact N-O 3.08Å; Q168-E171 PolarHBondContact O-N 3.42Å
169G82.6Confident88.2Confident69 Ų6972.4 Ų72.471%0.71138%0.383SS*.THydrogen-bonded Turntrans67.6-118.1-17200000111.3I167I167-G169 VanDerWaalsContact CG2-O 3.27Å; I167-G169 WeakPolarHBondContact CG2-O 3.47Å
170E78.1Confident88Confident166 Ų16677 Ų7778%0.77640%0.4SS*.THydrogen-bonded Turntrans-93.1-10.5176.5-71.8177.4171.300112.9Q168Q168-E170 PolarHBondContact O-N 2.93Å
171E82.9Confident87.6Confident139 Ų13983.1 Ų83.165%0.6543%0.433SS*.EExtended strand (participates in β ladder)trans-85120.6-179.1-164.8173.1-178.500111.1Q168Q168-E171 PolarHBondContact N-O 2.97Å; Q168-E171 VanDerWaalsContact N-O 3.08Å; Q168-E171 PolarHBondContact O-N 3.42Å
172V86.3Confident87.5Confident37 Ų3780.3 Ų80.322%0.22443%0.425CS..EExtended strand (participates in β ladder)trans-100.3115.2176.8-179.70000109L63 V123 V124 K128 V165L63-V172 HydrophobicContact CD1-CG1 4.32Å; V123-V172 HydrophobicContact CG1-CG1 4.14Å; V123-V172 HydrophobicContact CG1-CG2 4.27Å; V124-V172 HydrophobicContact CG2-CG2 3.9Å; K128-V172 HydrophobicContact CG-CG2 4.46Å; V165-V172 HydrophobicContact CB-CG1 4.5Å; V165-V172 HydrophobicContact CG1-CG1 4.24Å
173T87.4Confident87.5Confident44 Ų4481.3 Ų81.327%0.2743%0.433SS..EExtended strand (participates in β ladder)trans-105.3123174.752.60000109.7V165 S166V165-T173 WeakPolarHBondContact CA-O 3.48Å; S166-T173 PolarHBondContact N-O 2.72Å; S166-T173 PolarHBondContact O-N 2.68Å; S166-T173 PolarHBondContact O-OG1 3.4Å; S166-T173 PolarHBondContact OG-OG1 3.23Å
174V88.4Confident87.5Confident70 Ų7083.3 Ų83.342%0.42445%0.446SS..EExtended strand (participates in β ladder)trans-95.5124175.7-175.30000108L63 W130 P163 V165L63-V174 HydrophobicContact CD1-CG2 3.43Å; L63-V174 VanDerWaalsContact CD1-CG2 3.43Å; W130-V174 HydrophobicContact CH2-CG1 4.45Å; P163-V174 HydrophobicContact CB-CG1 4.01Å; P163-V174 HydrophobicContact CG-CG1 4.05Å; V165-V174 HydrophobicContact CG1-CB 4.28Å; V165-V174 HydrophobicContact CG1-CG1 4.39Å; V165-V174 HydrophobicContact CG1-CG2 3.8Å
175Y90.8Very high87.6Confident54 Ų5482.6 Ų82.621%0.21244%0.442CS..PPolyproline II helixtrans-86.8144.9176.2-64.4-73.9000111D164 S166 E179 R180D164-Y175 PolarHBondContact O-N 2.86Å; S166-Y175 WeakPolarHBondContact OG-CE2 3.33Å; S166-Y175 PolarHBondContact OG-OH 3.28Å; Y175-E179 WeakPolarHBondContact CA-OE2 3.5Å; Y175-E179 HydrophobicContact CD1-CB 4.48Å; Y175-E179 WeakPolarHBondContact CD1-OE2 3.46Å; Y175-R180 HydrophobicContact CD2-CG 4.45Å; Y175-R180 HydrophobicContact CG-CG 4.17Å
176S87.4Confident87.7Confident43 Ų4384.2 Ų84.230%0.30145%0.454SS..PPolyproline II helixtrans-71.4156.2172.278.30000110.3E178 E179 R180S176-E178 PolarHBondContact O-N 3.45Å; S176-E178 VanDerWaalsContact O-N 3.11Å; S176-E179 PolarHBondContact N-OE2 3.19Å; S176-E179 VanDerWaalsContact N-OE2 3.12Å; S176-E179 PolarHBondContact O-N 3.25Å; S176-E179 VanDerWaalsContact O-N 3.1Å; S176-E179 WeakPolarHBondContact OG-CG 3.36Å; S176-E179 PolarHBondContact OG-N 3.16Å; S176-R180 PolarHBondContact O-N 2.93Å; S176-R180 VanDerWaalsContact O-N 3.14Å
177P82.6Confident87.9Confident92 Ų9285.3 Ų85.360%0.59746%0.458SS*.THydrogen-bonded Turntrans-65-12.2177.628-35.8000113.6R180P177-R180 CarbonylContact C-O 3.5Å; P177-R180 WeakPolarHBondContact CA-O 3.34Å
178E86.4Confident88.1Confident188 Ų18887.7 Ų87.788%0.87946%0.462SS*.THydrogen-bonded Turntrans-84.2-32174.4-62-178.8-178.700112S176S176-E178 PolarHBondContact O-N 3.45Å; S176-E178 VanDerWaalsContact O-N 3.11Å
179E89.6Confident88.3Confident127 Ų12782.4 Ų82.459%0.59344%0.438SS*.THydrogen-bonded Turntrans-79.1-38.7178.6-70.3166.6175.400111.8Y175 S176Y175-E179 WeakPolarHBondContact CA-OE2 3.5Å; Y175-E179 HydrophobicContact CD1-CB 4.48Å; Y175-E179 WeakPolarHBondContact CD1-OE2 3.46Å; S176-E179 PolarHBondContact N-OE2 3.19Å; S176-E179 VanDerWaalsContact N-OE2 3.12Å; S176-E179 PolarHBondContact O-N 3.25Å; S176-E179 VanDerWaalsContact O-N 3.1Å; S176-E179 WeakPolarHBondContact OG-CG 3.36Å; S176-E179 PolarHBondContact OG-N 3.16Å
180R88.9Confident88.8Confident106 Ų10680.8 Ų80.840%0.441%0.412SS..SBendtrans-141.1145.5179.9-70.1-162.7179.1179.34.2112.4D164 Y175 S176 P177D164-R180 HydrophobicContact CB-CB 4.25Å; D164-R180 WeakPolarHBondContact OD2-CD 3.47Å; D164-R180 IonicContact OD2-CZ 3.61Å; D164-R180 IonicContact OD2-NE 3.32Å; D164-R180 IonicContact OD2-NH1 2.85Å; D164-R180 PolarHBondContact OD2-NH1 2.97Å; Y175-R180 HydrophobicContact CD2-CG 4.45Å; Y175-R180 HydrophobicContact CG-CG 4.17Å; S176-R180 PolarHBondContact O-N 2.93Å; S176-R180 VanDerWaalsContact O-N 3.14Å; P177-R180 CarbonylContact C-O 3.5Å; P177-R180 WeakPolarHBondContact CA-O 3.34Å
181D88.6Confident89.6Confident143 Ų14372.9 Ų72.977%0.76538%0.375SS*.PPolyproline II helixtrans-61.6128.4174.4-74.3-35.4000111.1
182P90.4Very high90.1Very high20 Ų2066.2 Ų66.213%0.1334%0.344CS..PPolyproline II helixtrans-72142.3-179.530.4-35.9000111.3Y43 R161 R162Y43-P182 HydrophobicContact CE2-CG 4.48Å; R161-P182 HydrophobicContact CB-CB 3.71Å; R161-P182 HydrophobicContact CB-CG 4.02Å; R161-P182 PolarHBondContact NH1-O 2.69Å; R162-P182 CarbonylContact O-C 3.58Å; R162-P182 WeakPolarHBondContact O-CA 3.3Å; R162-P182 WeakPolarHBondContact O-CB 3.44Å
183I91.4Very high90.5Very high60 Ų6064.5 Ų64.531%0.30833%0.333SS..EExtended strand (participates in β ladder)trans-92.1132.5-170.4-57.1171.8000109.6R161 R162 D164R161-I183 CarbonylContact C-O 3.59Å; R161-I183 VanDerWaalsContact CA-O 3.29Å; R161-I183 WeakPolarHBondContact CA-O 3.33Å; R162-I183 HydrophobicContact CG-CB 4.3Å; R162-I183 WeakPolarHBondContact CG-O 3.08Å; R162-I183 PolarHBondContact N-O 3.5Å; R162-I183 PolarHBondContact O-N 3.47Å; D164-I183 HydrophobicContact CB-CD1 3.99Å; D164-I183 HydrophobicContact CB-CG1 4.45Å; D164-I183 VanDerWaalsContact OD1-CD1 3.27Å; D164-I183 WeakPolarHBondContact OD1-CD1 3.28Å
184P93.1Very high90.9Very high78 Ų7862.4 Ų62.451%0.50632%0.32SS..EExtended strand (participates in β ladder)trans-67.7158175.330.2-36000112.1
185L92.2Very high91.2Very high18 Ų1859.1 Ų59.19%0.09430%0.301CS..PPolyproline II helixtrans-76.2147.4172.8-64-179.8000112.3L121 I132 L157 F160 I187L121-L185 HydrophobicContact CD2-CD2 4.06Å; I132-L185 HydrophobicContact CD1-CD1 3.75Å; I132-L185 HydrophobicContact CD1-CD2 3.64Å; I132-L185 HydrophobicContact CD1-CG 4.36Å; L157-L185 HydrophobicContact CD2-CD1 4.19Å; F160-L185 HydrophobicContact CB-CD1 4.47Å; F160-L185 HydrophobicContact CD1-CD1 3.68Å; F160-L185 HydrophobicContact CD1-CD2 4.28Å; F160-L185 HydrophobicContact CD1-CG 3.89Å; F160-L185 HydrophobicContact CE1-CD1 4.49Å; L185-I187 HydrophobicContact CB-CG1 4.48Å; L185-I187 PolarHBondContact O-N 3.24Å
186S91.9Very high91.4Very high61 Ų6156.6 Ų56.643%0.42729%0.291SS..  trans-82.9106.6172.8-63.10000110.6D117D117-S186 PolarHBondContact N-O 2.93Å
187I92.1Very high91.8Very high46 Ų4654.5 Ų54.524%0.23628%0.277CS..BIsolated β-bridgetrans-110.5122.8-179.4-57.2174000108.6C115 I116 L157 C158 L185 H189C115-I187 CarbonylContact O-C 3.58Å; C115-I187 WeakPolarHBondContact O-CA 3.45Å; C115-I187 WeakPolarHBondContact O-CG2 3.45Å; I116-I187 HydrophobicContact CG1-CG1 4.45Å; L157-I187 HydrophobicContact CB-CD1 4.35Å; C158-I187 HydrophobicContact CB-CD1 4.04Å; C158-I187 WeakPolarHBondContact SG-CD1 3.38Å; L185-I187 HydrophobicContact CB-CG1 4.48Å; L185-I187 PolarHBondContact O-N 3.24Å; I187-H189 WeakPolarHBondContact CG2-O 3.26Å
188Y91.9Very high92.3Very high137 Ų13750.2 Ų50.254%0.53725%0.248SC..SBendtrans-76.7-47.4178-67.4-54.7000111.8K114 C115 D117K114-Y188 WeakPolarHBondContact O-CD2 3.19Å; C115-Y188 PolarHBondContact O-N 3.02Å; D117-Y188 HydrophobicContact CB-CD2 4.45Å; D117-Y188 HydrophobicContact CB-CE1 4.5Å; D117-Y188 HydrophobicContact CB-CE2 3.61Å; D117-Y188 PolarHBondContact OD1-OH 3.41Å
189H91.1Very high92.6Very high32 Ų3241.3 Ų41.315%0.14821%0.207CC..  trans-155161.9-178.255.7-97.5000111.2S113 C115 I187 P191 N226S113-H189 WeakPolarHBondContact CB-NE2 3.28Å; S113-H189 PolarHBondContact O-CE1 3.26Å; S113-H189 PolarHBondContact O-NE2 3.39Å; C115-H189 VanDerWaalsContact CB-O 3.31Å; C115-H189 WeakPolarHBondContact CB-O 3.32Å; I187-H189 WeakPolarHBondContact CG2-O 3.26Å; H189-P191 VanDerWaalsContact O-CD 3.28Å; H189-P191 WeakPolarHBondContact O-CD 3.32Å; H189-N226 PolarHBondContact CD2-ND2 3.35Å; H189-N226 PolarHBondContact CD2-OD1 3.28Å; H189-N226 PolarHBondContact NE2-ND2 2.98Å
190M93.2Very high92.5Very high35 Ų3538.2 Ų38.217%0.17219%0.192CC..  trans-111.294.9-175.9-64.5172.7-167.900109.5I154 T262I154-M190 HydrophobicContact CG2-CB 3.87Å; I154-M190 HydrophobicContact CG2-CG 3.8Å; I154-M190 HydrophobicContact CG2-SD 4.37Å; M190-T262 HydrophobicContact SD-CG2 4.05Å
191P94.1Very high92.1Very high0 Ų041.3 Ų41.30%021%0.211CC..  trans-77.3123.9174.932-36.2000110.4L110 C115 I154 H189 M225 N226 C232L110-P191 HydrophobicContact CD2-CG 3.8Å; C115-P191 HydrophobicContact CB-CG 3.93Å; I154-P191 HydrophobicContact CD1-CG 4.12Å; H189-P191 VanDerWaalsContact O-CD 3.28Å; H189-P191 WeakPolarHBondContact O-CD 3.32Å; P191-M225 WeakPolarHBondContact CA-O 3.47Å; P191-N226 WeakPolarHBondContact CA-OD1 3.49Å; P191-N226 WeakPolarHBondContact CB-OD1 3.31Å; P191-C232 HydrophobicContact CB-CB 4.43Å
192I94.6Very high91.8Very high0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-116.4135.4177.3-60.9169.2000108.1V151 A224 M225 V258 I261 T262 I265V151-I192 HydrophobicContact CG2-CG2 4.07Å; I192-A224 VanDerWaalsContact O-CA 3.32Å; I192-A224 WeakPolarHBondContact O-CA 3.48Å; I192-M225 PolarHBondContact N-O 3.47Å; I192-M225 PolarHBondContact O-N 3Å; I192-V258 HydrophobicContact CB-CG1 4.29Å; I192-V258 HydrophobicContact CB-CG2 4.04Å; I192-V258 HydrophobicContact CD1-CG1 4.33Å; I192-V258 HydrophobicContact CG2-CG2 4.39Å; I192-I261 HydrophobicContact CD1-CB 3.95Å; I192-I261 HydrophobicContact CD1-CG2 3.75Å; I192-I261 HydrophobicContact CG2-CD1 4.14Å; I192-I261 HydrophobicContact CG2-CG2 4.3Å; I192-T262 WeakPolarHBondContact CD1-OG1 3.32Å; I192-I265 HydrophobicContact CD1-CD1 3.9Å
193S94.1Very high91.6Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-84.8145172.869.10000111.2M146 D147 S150 I223M146-S193 PolarHBondContact O-OG 3.21Å; D147-S193 WeakPolarHBondContact CA-OG 3.4Å; D147-S193 PolarHBondContact OD1-OG 2.65Å; S150-S193 PolarHBondContact OG-N 3.04Å; S150-S193 PolarHBondContact OG-OG 3.09Å; S193-I223 CarbonylContact C-O 3.43Å
194V95.6Very high91.6Very high0 Ų037.6 Ų37.60%019%0.193CC..EExtended strand (participates in β ladder)trans-126.3121.5172.4173.40000108.8Y32 D147 F196 V207 I223 A254 K257 V258Y32-V194 HydrophobicContact CE2-CG1 4.44Å; Y32-V194 WeakPolarHBondContact OH-CA 3.05Å; Y32-V194 WeakPolarHBondContact OH-CG1 3.41Å; D147-V194 WeakPolarHBondContact OD1-CA 3.46Å; D147-V194 PolarHBondContact OD1-N 3.14Å; D147-V194 WeakPolarHBondContact OD2-CA 3.38Å; V194-F196 HydrophobicContact CB-CE2 4.25Å; V194-F196 HydrophobicContact CG1-CD2 4.29Å; V194-F196 HydrophobicContact CG1-CE1 4.18Å; V194-F196 HydrophobicContact CG1-CE2 3.57Å; V194-F196 HydrophobicContact CG1-CZ 3.51Å; V194-V207 HydrophobicContact CG1-CG1 4.42Å; V194-I223 PolarHBondContact N-O 2.99Å; V194-I223 PolarHBondContact O-N 3.09Å; V194-A254 HydrophobicContact CB-CB 4.08Å; V194-A254 HydrophobicContact CG1-CB 4.19Å; V194-A254 HydrophobicContact CG2-CB 4.22Å; V194-K257 HydrophobicContact CG2-CB 4.39Å; V194-V258 HydrophobicContact CG2-CG2 3.8Å
195S95.4Very high91.6Very high2 Ų235.1 Ų35.11%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-87.5127176.5-68.60000112.5N144 D147 D208 M222N144-S195 WeakPolarHBondContact OD1-CB 3.36Å; N144-S195 PolarHBondContact OD1-OG 2.97Å; D147-S195 PolarHBondContact OD1-N 2.92Å; D147-S195 PolarHBondContact OD1-OG 3.35Å; D147-S195 PolarHBondContact OD2-N 2.9Å; S195-D208 PolarHBondContact O-N 3.24Å; S195-M222 WeakPolarHBondContact OG-CE 3.49Å; S195-M222 PolarHBondContact OG-SD 2.82Å
196F95.3Very high91.6Very high0 Ų034.5 Ų34.50%017%0.172CC..EExtended strand (participates in β ladder)trans-114.3121.2168.7-60.1-82.2000110.2V194 F198 L205 L206 V207 L220 L221 I223 C250 I253 A254V194-F196 HydrophobicContact CB-CE2 4.25Å; V194-F196 HydrophobicContact CG1-CD2 4.29Å; V194-F196 HydrophobicContact CG1-CE1 4.18Å; V194-F196 HydrophobicContact CG1-CE2 3.57Å; V194-F196 HydrophobicContact CG1-CZ 3.51Å; F196-F198 HydrophobicContact CB-CE2 4.34Å; F196-L205 HydrophobicContact CB-CD1 3.95Å; F196-L205 HydrophobicContact CD1-CD1 4Å; F196-L205 HydrophobicContact CD1-CD2 3.8Å; F196-L205 HydrophobicContact CD1-CG 4.14Å; F196-L205 HydrophobicContact CE1-CD2 4.29Å; F196-L205 HydrophobicContact CG-CD1 4.25Å; F196-L206 CarbonylContact C-O 3.54Å; F196-L206 WeakPolarHBondContact CA-O 3.29Å; F196-V207 HydrophobicContact CD1-CG2 3.67Å; F196-V207 HydrophobicContact CE1-CG2 3.54Å; F196-L220 CarbonylContact O-C 3.59Å; F196-L220 WeakPolarHBondContact O-CA 3.34Å; F196-L221 HydrophobicContact CB-CB 4.31Å; F196-L221 PolarHBondContact N-O 3.46Å; F196-L221 PolarHBondContact O-N 2.82Å; F196-I223 HydrophobicContact CD2-CD1 4.23Å; F196-I223 HydrophobicContact CD2-CG1 4.25Å; F196-I223 HydrophobicContact CE2-CB 4.35Å; F196-I223 HydrophobicContact CE2-CD1 3.82Å; F196-I223 HydrophobicContact CE2-CG1 4.05Å; F196-C250 HydrophobicContact CD1-CB 4.35Å; F196-C250 HydrophobicContact CD2-CB 3.95Å; F196-C250 HydrophobicContact CE1-CB 4.19Å; F196-C250 HydrophobicContact CE2-CB 3.81Å; F196-C250 HydrophobicContact CG-CB 4.22Å; F196-C250 HydrophobicContact CZ-CB 3.93Å; F196-C250 WeakPolarHBondContact CZ-O 3.41Å; F196-I253 HydrophobicContact CE1-CB 4.19Å; F196-I253 HydrophobicContact CE1-CG2 4.02Å; F196-I253 HydrophobicContact CZ-CB 4.32Å; F196-I253 HydrophobicContact CZ-CG2 4.38Å; F196-A254 HydrophobicContact CE2-CB 3.99Å; F196-A254 HydrophobicContact CZ-CB 3.87Å
197A94.4Very high91.8Very high0 Ų031.6 Ų31.60%015%0.152CC..EExtended strand (participates in β ladder)trans-93.9136.7172.100000110.4F199 L205 L206 P209 M217A197-F199 HydrophobicContact CB-CE2 3.83Å; A197-F199 HydrophobicContact CB-CZ 4.2Å; A197-L205 WeakPolarHBondContact O-CA 3.42Å; A197-L206 PolarHBondContact N-O 3.41Å; A197-L206 PolarHBondContact O-N 3.02Å; A197-P209 HydrophobicContact CB-CB 3.87Å; A197-P209 HydrophobicContact CB-CG 3.96Å; A197-M217 HydrophobicContact CB-CB 4.34Å; A197-M217 HydrophobicContact CB-SD 4.16Å
198F94.1Very high91.8Very high2 Ų229.4 Ų29.41%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-112.8137.2177-70.6-83.9000110.8F196 F204 L205 D218 G219 L221 I240 L242F196-F198 HydrophobicContact CB-CE2 4.34Å; F198-F204 WeakPolarHBondContact CA-O 3.22Å; F198-L205 HydrophobicContact CD1-CD1 4.05Å; F198-L205 HydrophobicContact CE1-CB 4.44Å; F198-L205 HydrophobicContact CE1-CD1 3.34Å; F198-L205 HydrophobicContact CE1-CG 4.46Å; F198-L205 HydrophobicContact CE2-CD1 4.13Å; F198-L205 HydrophobicContact CZ-CD1 3.38Å; F198-D218 PolarHBondContact O-N 3.45Å; F198-G219 PolarHBondContact N-O 2.84Å; F198-G219 PolarHBondContact O-N 2.9Å; F198-L221 HydrophobicContact CD2-CB 4.35Å; F198-L221 HydrophobicContact CE2-CB 3.56Å; F198-L221 HydrophobicContact CE2-CD2 4.12Å; F198-L221 HydrophobicContact CE2-CG 4.5Å; F198-L221 HydrophobicContact CZ-CB 4.48Å; F198-L221 HydrophobicContact CZ-CD2 4.26Å; F198-I240 HydrophobicContact CB-CD1 3.67Å; F198-I240 HydrophobicContact CD2-CD1 3.29Å; F198-I240 HydrophobicContact CE2-CD1 4.04Å; F198-I240 HydrophobicContact CG-CD1 3.62Å; F198-L242 HydrophobicContact CD1-CD2 3.77Å; F198-L242 HydrophobicContact CD2-CD2 3.97Å; F198-L242 HydrophobicContact CE1-CD2 3.42Å; F198-L242 VanDerWaalsContact CE1-CD2 3.42Å; F198-L242 HydrophobicContact CE2-CD1 3.89Å; F198-L242 HydrophobicContact CE2-CD2 3.66Å; F198-L242 HydrophobicContact CE2-CG 4.42Å; F198-L242 HydrophobicContact CG-CD2 4.01Å; F198-L242 HydrophobicContact CZ-CD1 4.11Å; F198-L242 HydrophobicContact CZ-CD2 3.37Å; F198-L242 HydrophobicContact CZ-CG 4.39Å
199F92.1Very high91.9Very high1 Ų122.9 Ų22.90%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-123.7151.5177.9-59.3-93000110.5L15 I18 A197 Q201 G202 T203 F204 L206 E213 V216 M217L15-F199 HydrophobicContact CD2-CD1 4.36Å; I18-F199 HydrophobicContact CD1-CD1 3.54Å; I18-F199 HydrophobicContact CD1-CD2 3.93Å; I18-F199 HydrophobicContact CD1-CE1 3.48Å; I18-F199 VanDerWaalsContact CD1-CE1 3.48Å; I18-F199 HydrophobicContact CD1-CE2 3.9Å; I18-F199 HydrophobicContact CD1-CG 3.76Å; I18-F199 HydrophobicContact CD1-CZ 3.68Å; I18-F199 HydrophobicContact CG2-CB 4.2Å; I18-F199 HydrophobicContact CG2-CD2 4.25Å; I18-F199 HydrophobicContact CG2-CG 4.22Å; A197-F199 HydrophobicContact CB-CE2 3.83Å; A197-F199 HydrophobicContact CB-CZ 4.2Å; F199-Q201 PolarHBondContact O-N 3.47Å; F199-G202 PolarHBondContact O-N 3.3Å; F199-G202 VanDerWaalsContact O-N 3.12Å; F199-T203 PolarHBondContact O-N 2.98Å; F199-T203 PolarHBondContact O-OG1 2.79Å; F199-F204 HydrophobicContact CB-CB 4.28Å; F199-F204 PolarHBondContact N-O 3.26Å; F199-F204 VanDerWaalsContact N-O 3.11Å; F199-F204 PolarHBondContact O-N 2.92Å; F199-L206 HydrophobicContact CD2-CD1 3.79Å; F199-L206 HydrophobicContact CE2-CB 4.13Å; F199-L206 HydrophobicContact CE2-CD1 3.74Å; F199-L206 HydrophobicContact CE2-CD2 3.93Å; F199-L206 HydrophobicContact CE2-CG 4.13Å; F199-L206 HydrophobicContact CZ-CD2 4.45Å; F199-E213 HydrophobicContact CZ-CB 4.14Å; F199-V216 HydrophobicContact CD1-CG1 4.43Å; F199-V216 HydrophobicContact CE1-CB 4.31Å; F199-V216 HydrophobicContact CE1-CG1 4.36Å; F199-M217 HydrophobicContact CD1-CB 4.42Å; F199-M217 HydrophobicContact CE1-CB 3.88Å; F199-M217 HydrophobicContact CZ-CB 4Å
200Q87.3Confident91.9Very high62 Ų6221.8 Ų21.829%0.2911%0.111SC..G310 helixtrans50.458.6177.8-60.7-176.1-4.700112.1E19 G202 T203 D218E19-Q200 PolarHBondContact OE1-NE2 3.37Å; Q200-G202 PolarHBondContact O-N 2.59Å; Q200-G202 VanDerWaalsContact O-N 3.14Å; Q200-T203 WeakPolarHBondContact CB-OG1 3.33Å; Q200-T203 PolarHBondContact O-N 3.25Å; Q200-T203 PolarHBondContact O-OG1 2.83Å; Q200-D218 VanDerWaalsContact CA-OD2 3.26Å; Q200-D218 WeakPolarHBondContact CA-OD2 3.25Å; Q200-D218 PolarHBondContact N-OD2 3.18Å
201Q82.1Confident91.8Very high171 Ų17122.5 Ų22.580%0.79911%0.114SC*.G310 helixtrans59.227.3178.8-58.4160.3-0.800113.6F199 D218F199-Q201 PolarHBondContact O-N 3.47Å; Q201-D218 PolarHBondContact N-OD2 3Å
202G80.6Confident91.7Very high3 Ų328.8 Ų28.83%0.03114%0.138CC..G310 helixtrans91.215.6172.300000115.2F199 Q200 Q246F199-G202 PolarHBondContact O-N 3.3Å; F199-G202 VanDerWaalsContact O-N 3.12Å; Q200-G202 PolarHBondContact O-N 2.59Å; Q200-G202 VanDerWaalsContact O-N 3.14Å; G202-Q246 PolarHBondContact O-NE2 2.83Å
203T87.6Confident91.6Very high95 Ų9529 Ų2958%0.58314%0.138SC*.THydrogen-bonded Turntrans-69.4-39.5172.552.50000111.6F199 Q200F199-T203 PolarHBondContact O-N 2.98Å; F199-T203 PolarHBondContact O-OG1 2.79Å; Q200-T203 WeakPolarHBondContact CB-OG1 3.33Å; Q200-T203 PolarHBondContact O-N 3.25Å; Q200-T203 PolarHBondContact O-OG1 2.83Å
204F91.3Very high91.5Very high46 Ų4631.3 Ų31.320%0.20215%0.149CC..EExtended strand (participates in β ladder)trans-110.2142.3179.7-59.1-77.9000111.5I18 E19 F198 F199I18-F204 HydrophobicContact CG2-CB 3.65Å; I18-F204 HydrophobicContact CG2-CD1 4.39Å; I18-F204 HydrophobicContact CG2-CD2 4.12Å; I18-F204 HydrophobicContact CG2-CG 3.8Å; E19-F204 HydrophobicContact CB-CZ 4.29Å; E19-F204 HydrophobicContact CG-CE2 3.96Å; E19-F204 HydrophobicContact CG-CZ 4.19Å; F198-F204 WeakPolarHBondContact CA-O 3.22Å; F199-F204 HydrophobicContact CB-CB 4.28Å; F199-F204 PolarHBondContact N-O 3.26Å; F199-F204 VanDerWaalsContact N-O 3.11Å; F199-F204 PolarHBondContact O-N 2.92Å
205L92.5Very high91.2Very high27 Ų2735.5 Ų35.514%0.14117%0.165CC..EExtended strand (participates in β ladder)trans-127.8126.2-179.6179.4116.9000109.6Y30 F196 A197 F198 C250 I253Y30-L205 HydrophobicContact CD1-CD2 4.13Å; Y30-L205 HydrophobicContact CE1-CD2 3.57Å; F196-L205 HydrophobicContact CB-CD1 3.95Å; F196-L205 HydrophobicContact CD1-CD1 4Å; F196-L205 HydrophobicContact CD1-CD2 3.8Å; F196-L205 HydrophobicContact CD1-CG 4.14Å; F196-L205 HydrophobicContact CE1-CD2 4.29Å; F196-L205 HydrophobicContact CG-CD1 4.25Å; A197-L205 WeakPolarHBondContact O-CA 3.42Å; F198-L205 HydrophobicContact CD1-CD1 4.05Å; F198-L205 HydrophobicContact CE1-CB 4.44Å; F198-L205 HydrophobicContact CE1-CD1 3.34Å; F198-L205 HydrophobicContact CE1-CG 4.46Å; F198-L205 HydrophobicContact CE2-CD1 4.13Å; F198-L205 HydrophobicContact CZ-CD1 3.38Å; L205-C250 WeakPolarHBondContact CD1-SG 3.39Å; L205-I253 HydrophobicContact CD2-CD1 4.3Å
206L93.4Very high91.1Very high5 Ų536 Ų363%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-119.6148.6172.3-7968.1000110.2I18 R23 F196 A197 F199I18-L206 HydrophobicContact CD1-CD2 4.48Å; I18-L206 HydrophobicContact CG1-CD2 4.42Å; I18-L206 HydrophobicContact CG2-CD1 4.06Å; R23-L206 HydrophobicContact CG-CD2 4.27Å; F196-L206 CarbonylContact C-O 3.54Å; F196-L206 WeakPolarHBondContact CA-O 3.29Å; A197-L206 PolarHBondContact N-O 3.41Å; A197-L206 PolarHBondContact O-N 3.02Å; F199-L206 HydrophobicContact CD2-CD1 3.79Å; F199-L206 HydrophobicContact CE2-CB 4.13Å; F199-L206 HydrophobicContact CE2-CD1 3.74Å; F199-L206 HydrophobicContact CE2-CD2 3.93Å; F199-L206 HydrophobicContact CE2-CG 4.13Å; F199-L206 HydrophobicContact CZ-CD2 4.45Å
207V94.1Very high90.9Very high0 Ų038.4 Ų38.40%018%0.18CC..EExtended strand (participates in β ladder)trans-101.3142.1169.8178.60000108.9R23 T29 Y30 Y32 V194 F196 I253R23-V207 PolarHBondContact NH1-O 3.49Å; T29-V207 PolarHBondContact O-N 2.89Å; Y30-V207 HydrophobicContact CD1-CG2 4.07Å; Y32-V207 HydrophobicContact CD2-CG1 3.93Å; Y32-V207 HydrophobicContact CE2-CG1 3.48Å; Y32-V207 VanDerWaalsContact CE2-CG1 3.48Å; V194-V207 HydrophobicContact CG1-CG1 4.42Å; F196-V207 HydrophobicContact CD1-CG2 3.67Å; F196-V207 HydrophobicContact CE1-CG2 3.54Å; V207-I253 HydrophobicContact CG2-CG2 4.29Å
208D93.8Very high90.8Very high0 Ų042 Ų420%020%0.199CC..SBendtrans54.470176.5-179.640000113.1R23 R27 Y32 R33 L50 N144 S195R23-D208 PolarHBondContact NH2-O 3.26Å; R27-D208 IonicContact NH1-OD2 2.82Å; R27-D208 PolarHBondContact NH1-OD2 3.33Å; Y32-D208 HydrophobicContact CD1-CB 3.64Å; Y32-D208 HydrophobicContact CE1-CB 3.76Å; Y32-D208 HydrophobicContact CG-CB 4.23Å; R33-D208 WeakPolarHBondContact CG-OD2 3.41Å; R33-D208 IonicContact CZ-OD1 3.38Å; R33-D208 IonicContact CZ-OD2 3.75Å; R33-D208 PolarHBondContact N-OD2 3.23Å; R33-D208 IonicContact NE-OD1 3.17Å; R33-D208 PolarHBondContact NE-OD1 2.77Å; R33-D208 IonicContact NE-OD2 2.69Å; R33-D208 PolarHBondContact NE-OD2 3.37Å; R33-D208 IonicContact NH2-OD1 3.13Å; R33-D208 PolarHBondContact NH2-OD1 2.87Å; R33-D208 IonicContact NH2-OD2 3.4Å; L50-D208 WeakPolarHBondContact CD2-OD1 3.26Å; N144-D208 WeakPolarHBondContact CB-OD1 3.37Å; N144-D208 PolarHBondContact ND2-OD1 2.95Å; S195-D208 PolarHBondContact O-N 3.24Å
209P93.1Very high90.7Very high0 Ų042 Ų420%020%0.2CC..  trans-67141.3-179.830.9-37.3000112A197 E213 E214 L220A197-P209 HydrophobicContact CB-CB 3.87Å; A197-P209 HydrophobicContact CB-CG 3.96Å; P209-E213 VanDerWaalsContact CA-OE2 3.26Å; P209-E213 WeakPolarHBondContact CA-OE2 3.25Å; P209-E213 HydrophobicContact CB-CB 4.01Å; P209-E214 HydrophobicContact CB-CG 3.8Å; P209-E214 HydrophobicContact CG-CG 3.65Å; P209-L220 HydrophobicContact CG-CD1 4.43Å
210C91.7Very high90.7Very high9 Ų942.8 Ų42.86%0.06120%0.204CC..  trans-76.5165.8169.8-450000110.4D25 R27 R212 E213 E214D25-C210 PolarHBondContact OD2-SG 3.49Å; R27-C210 PolarHBondContact NH2-SG 2.92Å; C210-R212 PolarHBondContact O-N 2.76Å; C210-R212 VanDerWaalsContact O-N 3.14Å; C210-E213 HydrophobicContact CB-CG 4.43Å; C210-E213 PolarHBondContact N-OE2 3.38Å; C210-E213 CarbonylContact O-C 3.55Å; C210-E213 WeakPolarHBondContact O-CA 3.38Å; C210-E213 WeakPolarHBondContact O-CB 3.38Å; C210-E213 PolarHBondContact O-N 2.77Å; C210-E214 PolarHBondContact O-N 3.44Å
211E91.3Very high91Very high49 Ų4940 Ų4023%0.22919%0.191CC..Hα-helixtrans-52.4-42.4179.8-169.1-167.2173.200112.8D142 E213 E214 R215D142-E211 PolarHBondContact O-N 3.04Å; D142-E211 VanDerWaalsContact O-N 3.11Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.4Å; E211-E214 PolarHBondContact O-N 2.7Å; E211-R215 WeakPolarHBondContact O-CG 3.19Å; E211-R215 PolarHBondContact O-N 2.86Å; E211-R215 VanDerWaalsContact O-N 3.12Å; E211-R215 IonicContact OE1-CZ 2.82Å; E211-R215 IonicContact OE1-NE 3.19Å; E211-R215 PolarHBondContact OE1-NE 3.01Å; E211-R215 IonicContact OE1-NH2 3.43Å; E211-R215 PolarHBondContact OE1-NH2 2.91Å
212R91.7Very high91.6Very high133 Ų13332 Ų3250%0.50215%0.154SC..Hα-helixtrans-65.4-38177.8-62.2-179.6-174.1-160.612.3112.5E10 I14 L24 C210 R215 V216E10-R212 VanDerWaalsContact OE1-CD 3.3Å; E10-R212 WeakPolarHBondContact OE1-CD 3.12Å; E10-R212 IonicContact OE1-CZ 2.75Å; E10-R212 IonicContact OE1-NE 3.36Å; E10-R212 PolarHBondContact OE1-NE 3.22Å; E10-R212 IonicContact OE1-NH1 3.29Å; E10-R212 PolarHBondContact OE1-NH1 3Å; I14-R212 HydrophobicContact CD1-CB 3.98Å; L24-R212 HydrophobicContact CD1-CB 4.49Å; C210-R212 PolarHBondContact O-N 2.76Å; C210-R212 VanDerWaalsContact O-N 3.14Å; R212-R215 PolarHBondContact O-N 3.1Å; R212-V216 WeakPolarHBondContact O-CG2 3.5Å
213E92.4Very high92.3Very high3 Ų331.9 Ų31.91%0.01415%0.152CC..Hα-helixtrans-71.4-38.8177.7-67.1175.2165.200110.6R23 F199 P209 C210 E211 R215 V216 M217R23-E213 IonicContact CZ-OE1 3.28Å; R23-E213 IonicContact CZ-OE2 3.08Å; R23-E213 IonicContact NE-OE1 3.45Å; R23-E213 PolarHBondContact NE-OE1 2.92Å; R23-E213 IonicContact NE-OE2 2.67Å; R23-E213 IonicContact NH2-OE1 3.68Å; R23-E213 PolarHBondContact NH2-OE1 3.36Å; R23-E213 IonicContact NH2-OE2 3.53Å; R23-E213 PolarHBondContact NH2-OE2 3.47Å; F199-E213 HydrophobicContact CZ-CB 4.14Å; P209-E213 VanDerWaalsContact CA-OE2 3.26Å; P209-E213 WeakPolarHBondContact CA-OE2 3.25Å; P209-E213 HydrophobicContact CB-CB 4.01Å; C210-E213 HydrophobicContact CB-CG 4.43Å; C210-E213 PolarHBondContact N-OE2 3.38Å; C210-E213 CarbonylContact O-C 3.55Å; C210-E213 WeakPolarHBondContact O-CA 3.38Å; C210-E213 WeakPolarHBondContact O-CB 3.38Å; C210-E213 PolarHBondContact O-N 2.77Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.4Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 3.48Å; E213-V216 PolarHBondContact O-N 2.69Å; E213-V216 VanDerWaalsContact O-N 3.11Å; E213-M217 PolarHBondContact O-N 2.87Å
214E91.2Very high92.6Very high50 Ų5027.3 Ų27.323%0.23412%0.124CC..Hα-helixtrans-62.6-32.3174.2-72-169.8161.600112.9N144 P209 C210 E211 V216 M217N144-E214 WeakPolarHBondContact CA-OE1 3.35Å; N144-E214 PolarHBondContact N-OE1 2.84Å; P209-E214 HydrophobicContact CB-CG 3.8Å; P209-E214 HydrophobicContact CG-CG 3.65Å; C210-E214 PolarHBondContact O-N 3.44Å; E211-E214 PolarHBondContact O-N 2.7Å; E214-V216 VanDerWaalsContact C-N 3.26Å; E214-V216 PolarHBondContact O-N 3.4Å; E214-M217 HydrophobicContact CB-CE 4Å; E214-M217 HydrophobicContact CB-SD 4.36Å; E214-M217 HydrophobicContact CG-CE 4.18Å; E214-M217 HydrophobicContact CG-SD 4.34Å; E214-M217 WeakPolarHBondContact O-CG 2.97Å
215R90.4Very high92.8Very high87 Ų8725.3 Ų25.333%0.32812%0.115SC..THydrogen-bonded Turntrans-72-20.6176.1-70170.2179.9-141.74113.3T4 L6 E211 R212 E213T4-R215 PolarHBondContact O-NH1 3.46Å; L6-R215 HydrophobicContact CD2-CB 4.34Å; E211-R215 WeakPolarHBondContact O-CG 3.19Å; E211-R215 PolarHBondContact O-N 2.86Å; E211-R215 VanDerWaalsContact O-N 3.12Å; E211-R215 IonicContact OE1-CZ 2.82Å; E211-R215 IonicContact OE1-NE 3.19Å; E211-R215 PolarHBondContact OE1-NE 3.01Å; E211-R215 IonicContact OE1-NH2 3.43Å; E211-R215 PolarHBondContact OE1-NH2 2.91Å; R212-R215 PolarHBondContact O-N 3.1Å; E213-R215 VanDerWaalsContact C-N 3.28Å; E213-R215 PolarHBondContact O-N 3.48Å
216V92.2Very high92.8Very high12 Ų1224.2 Ų24.27%0.07311%0.11CC..THydrogen-bonded Turntrans-105.6-13.7-176.6-179.30000111.9L6 R11 I14 L15 F199 R212 E213 E214L6-V216 HydrophobicContact CD2-CG2 3.5Å; R11-V216 HydrophobicContact CB-CG2 4.46Å; R11-V216 HydrophobicContact CG-CG1 4.14Å; R11-V216 HydrophobicContact CG-CG2 4.14Å; I14-V216 HydrophobicContact CD1-CG2 4.24Å; I14-V216 HydrophobicContact CG2-CB 4.41Å; I14-V216 HydrophobicContact CG2-CG1 4.3Å; I14-V216 HydrophobicContact CG2-CG2 4.44Å; L15-V216 HydrophobicContact CD1-CG1 4.28Å; L15-V216 HydrophobicContact CD2-CG1 3.48Å; L15-V216 VanDerWaalsContact CD2-CG1 3.48Å; L15-V216 HydrophobicContact CG-CG1 3.64Å; F199-V216 HydrophobicContact CD1-CG1 4.43Å; F199-V216 HydrophobicContact CE1-CB 4.31Å; F199-V216 HydrophobicContact CE1-CG1 4.36Å; R212-V216 WeakPolarHBondContact O-CG2 3.5Å; E213-V216 PolarHBondContact O-N 2.69Å; E213-V216 VanDerWaalsContact O-N 3.11Å; E214-V216 VanDerWaalsContact C-N 3.26Å; E214-V216 PolarHBondContact O-N 3.4Å
217M91.9Very high92.6Very high51 Ų5129.7 Ų29.725%0.25113%0.134SC..  trans-67.7143.5-17977.9-172.7166.300112A197 F199 E213 E214 L220A197-M217 HydrophobicContact CB-CB 4.34Å; A197-M217 HydrophobicContact CB-SD 4.16Å; F199-M217 HydrophobicContact CD1-CB 4.42Å; F199-M217 HydrophobicContact CE1-CB 3.88Å; F199-M217 HydrophobicContact CZ-CB 4Å; E213-M217 PolarHBondContact O-N 2.87Å; E214-M217 HydrophobicContact CB-CE 4Å; E214-M217 HydrophobicContact CB-SD 4.36Å; E214-M217 HydrophobicContact CG-CE 4.18Å; E214-M217 HydrophobicContact CG-SD 4.34Å; E214-M217 WeakPolarHBondContact O-CG 2.97Å; M217-L220 HydrophobicContact CE-CB 4.15Å; M217-L220 HydrophobicContact CE-CD1 4.39Å; M217-L220 HydrophobicContact SD-CB 4.04Å; M217-L220 HydrophobicContact SD-CD1 4.02Å
218D91.2Very high92.4Very high75 Ų7535.7 Ų35.740%0.40116%0.161SC..SBendtrans-82-33.6173-64.5-35.4000110.4F198 Q200 Q201 G238 I240F198-D218 PolarHBondContact O-N 3.45Å; Q200-D218 VanDerWaalsContact CA-OD2 3.26Å; Q200-D218 WeakPolarHBondContact CA-OD2 3.25Å; Q200-D218 PolarHBondContact N-OD2 3.18Å; Q201-D218 PolarHBondContact N-OD2 3Å; D218-G238 CarbonylContact O-C 3.59Å; D218-G238 WeakPolarHBondContact O-CA 3.37Å; D218-I240 HydrophobicContact CB-CG2 3.81Å
219G92.2Very high92.2Very high2 Ų244.7 Ų44.72%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-162.5168.7176.100000115.3F198 S237F198-G219 PolarHBondContact N-O 2.84Å; F198-G219 PolarHBondContact O-N 2.9Å; G219-S237 CarbonylContact C-O 3.49Å; G219-S237 VanDerWaalsContact CA-O 3.25Å; G219-S237 WeakPolarHBondContact CA-O 3.41Å
220L93Very high92.2Very high18 Ų1850.2 Ų50.29%0.09422%0.221CC..EExtended strand (participates in β ladder)trans-135.2125.3-171.1-179.691.3000109.2F196 P209 M217 M222 S237F196-L220 CarbonylContact O-C 3.59Å; F196-L220 WeakPolarHBondContact O-CA 3.34Å; P209-L220 HydrophobicContact CG-CD1 4.43Å; M217-L220 HydrophobicContact CE-CB 4.15Å; M217-L220 HydrophobicContact CE-CD1 4.39Å; M217-L220 HydrophobicContact SD-CB 4.04Å; M217-L220 HydrophobicContact SD-CD1 4.02Å; L220-M222 HydrophobicContact CD1-SD 4.42Å; L220-M222 HydrophobicContact CD2-CG 4.1Å; L220-M222 HydrophobicContact CD2-SD 3.72Å; L220-M222 HydrophobicContact CG-SD 4.04Å; L220-S237 PolarHBondContact N-O 3.49Å; L220-S237 PolarHBondContact O-N 2.94Å; L220-S237 PolarHBondContact O-OG 3.3Å
221L94.1Very high92.3Very high3 Ų353.6 Ų53.62%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-110.2121.6171.2178.471.5000109.6F196 F198 I223 I234 Q235 L242 V247 C250F196-L221 HydrophobicContact CB-CB 4.31Å; F196-L221 PolarHBondContact N-O 3.46Å; F196-L221 PolarHBondContact O-N 2.82Å; F198-L221 HydrophobicContact CD2-CB 4.35Å; F198-L221 HydrophobicContact CE2-CB 3.56Å; F198-L221 HydrophobicContact CE2-CD2 4.12Å; F198-L221 HydrophobicContact CE2-CG 4.5Å; F198-L221 HydrophobicContact CZ-CB 4.48Å; F198-L221 HydrophobicContact CZ-CD2 4.26Å; L221-I223 HydrophobicContact CD2-CD1 4.13Å; L221-I223 HydrophobicContact CD2-CG1 4.31Å; L221-I223 HydrophobicContact CG-CG1 4.15Å; L221-I234 HydrophobicContact CD1-CG2 3.63Å; L221-Q235 CarbonylContact C-O 3.52Å; L221-Q235 WeakPolarHBondContact CA-O 3.29Å; L221-L242 HydrophobicContact CB-CD1 4.44Å; L221-L242 HydrophobicContact CD1-CD1 4.33Å; L221-L242 HydrophobicContact CD2-CD1 4.28Å; L221-V247 HydrophobicContact CD2-CG2 4.44Å; L221-C250 HydrophobicContact CD2-CB 4.14Å
222M93.8Very high92.3Very high4 Ų452.8 Ų52.82%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-98.9131172.5-58.8-57.6-48.900109.5M146 D147 S195 L220 I234 Q235M146-M222 HydrophobicContact CB-CE 3.75Å; M146-M222 HydrophobicContact CB-SD 4.37Å; M146-M222 HydrophobicContact CG-CE 3.46Å; M146-M222 VanDerWaalsContact CG-CE 3.46Å; M146-M222 HydrophobicContact CG-SD 4.37Å; D147-M222 VanDerWaalsContact OD1-CE 3.23Å; D147-M222 WeakPolarHBondContact OD1-CE 3.49Å; S195-M222 WeakPolarHBondContact OG-CE 3.49Å; S195-M222 PolarHBondContact OG-SD 2.82Å; L220-M222 HydrophobicContact CD1-SD 4.42Å; L220-M222 HydrophobicContact CD2-CG 4.1Å; L220-M222 HydrophobicContact CD2-SD 3.72Å; L220-M222 HydrophobicContact CG-SD 4.04Å; M222-I234 CarbonylContact O-C 3.5Å; M222-I234 WeakPolarHBondContact O-CA 3.48Å; M222-Q235 HydrophobicContact CB-CB 4.19Å; M222-Q235 PolarHBondContact N-O 3.47Å; M222-Q235 PolarHBondContact O-N 2.7Å
223I95.3Very high92.3Very high0 Ų046.9 Ų46.90%022%0.216CC..EExtended strand (participates in β ladder)trans-124.5120.9170.4-53.2-176.5000108.1S193 V194 F196 L221 M225 I231 I234 C250 A254S193-I223 CarbonylContact C-O 3.43Å; V194-I223 PolarHBondContact N-O 2.99Å; V194-I223 PolarHBondContact O-N 3.09Å; F196-I223 HydrophobicContact CD2-CD1 4.23Å; F196-I223 HydrophobicContact CD2-CG1 4.25Å; F196-I223 HydrophobicContact CE2-CB 4.35Å; F196-I223 HydrophobicContact CE2-CD1 3.82Å; F196-I223 HydrophobicContact CE2-CG1 4.05Å; L221-I223 HydrophobicContact CD2-CD1 4.13Å; L221-I223 HydrophobicContact CD2-CG1 4.31Å; L221-I223 HydrophobicContact CG-CG1 4.15Å; I223-M225 HydrophobicContact CG2-CG 3.65Å; I223-M225 HydrophobicContact CG2-SD 4.01Å; I223-I231 HydrophobicContact CG2-CG2 4.26Å; I223-I234 HydrophobicContact CG1-CG2 4.46Å; I223-I234 HydrophobicContact CG2-CG1 4.39Å; I223-C250 HydrophobicContact CD1-CB 3.69Å; I223-A254 HydrophobicContact CB-CB 4.41Å; I223-A254 HydrophobicContact CG2-CB 4.41Å
224A94.8Very high92.3Very high0 Ų050 Ų500%023%0.232CC..EExtended strand (participates in β ladder)trans-96.6124.5170.600000110C109 I192 C232 S233C109-A224 WeakPolarHBondContact SG-CB 3.44Å; I192-A224 VanDerWaalsContact O-CA 3.32Å; I192-A224 WeakPolarHBondContact O-CA 3.48Å; A224-C232 HydrophobicContact CB-CB 4.18Å; A224-C232 PolarHBondContact O-N 3.46Å; A224-S233 WeakPolarHBondContact CB-OG 3.47Å; A224-S233 PolarHBondContact N-O 3.21Å
225M94.4Very high92.4Very high3 Ų349.9 Ų49.92%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-131.4155.2179.5-57.3-171.464.600111.9P191 I192 I223 R229 E230 I231 A254 V258P191-M225 WeakPolarHBondContact CA-O 3.47Å; I192-M225 PolarHBondContact N-O 3.47Å; I192-M225 PolarHBondContact O-N 3Å; I223-M225 HydrophobicContact CG2-CG 3.65Å; I223-M225 HydrophobicContact CG2-SD 4.01Å; M225-R229 HydrophobicContact CE-CB 4.44Å; M225-R229 WeakPolarHBondContact CE-O 3.13Å; M225-E230 CarbonylContact C-O 3.49Å; M225-E230 VanDerWaalsContact CA-O 3.26Å; M225-E230 WeakPolarHBondContact CA-O 3.32Å; M225-I231 HydrophobicContact CE-CG1 3.97Å; M225-I231 HydrophobicContact CG-CG1 4.22Å; M225-I231 HydrophobicContact SD-CG1 4.37Å; M225-A254 HydrophobicContact CG-CB 4.42Å; M225-A254 HydrophobicContact SD-CB 3.62Å; M225-V258 HydrophobicContact CB-CG2 4.01Å; M225-V258 WeakPolarHBondContact O-CG1 3.46Å
226N92.1Very high92.4Very high4 Ų448.8 Ų48.82%0.02124%0.238CC..  trans-94.7165.8171.6-71-20.4000111.4H189 P191 H228 R229 E230 C232H189-N226 PolarHBondContact CD2-ND2 3.35Å; H189-N226 PolarHBondContact CD2-OD1 3.28Å; H189-N226 PolarHBondContact NE2-ND2 2.98Å; P191-N226 WeakPolarHBondContact CA-OD1 3.49Å; P191-N226 WeakPolarHBondContact CB-OD1 3.31Å; N226-H228 PolarHBondContact O-N 2.98Å; N226-H228 VanDerWaalsContact O-N 3.16Å; N226-R229 PolarHBondContact O-N 2.82Å; N226-E230 PolarHBondContact N-O 2.81Å; N226-C232 VanDerWaalsContact CG-SG 3.53Å; N226-C232 PolarHBondContact ND2-SG 3.4Å; N226-C232 VanDerWaalsContact ND2-SG 3.4Å; N226-C232 PolarHBondContact OD1-SG 2.96Å
227K89.3Confident92.3Very high121 Ų12149.1 Ų49.153%0.52624%0.24SC..THydrogen-bonded Turntrans-54-30.9167.8-173.5175.6-179.4175.90112.9R229 T262K227-R229 PolarHBondContact O-N 3.3Å; K227-T262 HydrophobicContact CB-CG2 4.4Å; K227-T262 HydrophobicContact CD-CG2 4.1Å
228H90.3Very high91.9Very high126 Ų12649.3 Ų49.358%0.58326%0.255SS*.THydrogen-bonded Turntrans-75.15.9176.3-57.9-63.5000114.3N226 E230N226-H228 PolarHBondContact O-N 2.98Å; N226-H228 VanDerWaalsContact O-N 3.16Å; H228-E230 HydrophobicContact CB-CG 4.19Å; H228-E230 PolarHBondContact O-N 2.99Å
229R90.4Very high91.4Very high189 Ų18949.7 Ų49.771%0.71328%0.277SS*.SBendtrans62.919.8-177-51180177.3175.3-1.1114.1M225 N226 K227M225-R229 HydrophobicContact CE-CB 4.44Å; M225-R229 WeakPolarHBondContact CE-O 3.13Å; N226-R229 PolarHBondContact O-N 2.82Å; K227-R229 PolarHBondContact O-N 3.3Å
230E92.4Very high91.2Very high115 Ų11550.8 Ų50.854%0.53728%0.282SS..  trans-83.8141.3171.4-62175.1153.600109.8M225 N226 H228M225-E230 CarbonylContact C-O 3.49Å; M225-E230 VanDerWaalsContact CA-O 3.26Å; M225-E230 WeakPolarHBondContact CA-O 3.32Å; N226-E230 PolarHBondContact N-O 2.81Å; H228-E230 HydrophobicContact CB-CG 4.19Å; H228-E230 PolarHBondContact O-N 2.99Å
231I93.6Very high91Very high81 Ų8158.3 Ų58.342%0.41532%0.319SS..EExtended strand (participates in β ladder)trans-94.5120179.3-57.6173.8000108.6I223 M225 I234I223-I231 HydrophobicContact CG2-CG2 4.26Å; M225-I231 HydrophobicContact CE-CG1 3.97Å; M225-I231 HydrophobicContact CG-CG1 4.22Å; M225-I231 HydrophobicContact SD-CG1 4.37Å; I231-I234 HydrophobicContact CD1-CD1 4.35Å; I231-I234 HydrophobicContact CG2-CD1 3.92Å; I231-I234 HydrophobicContact CG2-CG1 3.55Å
232C90.9Very high90.8Very high31 Ų3160.2 Ų60.221%0.20933%0.329CS..EExtended strand (participates in β ladder)trans-85.5-45.4179.2-64.50000111.5S113 P191 A224 N226S113-C232 VanDerWaalsContact CB-SG 3.58Å; P191-C232 HydrophobicContact CB-CB 4.43Å; A224-C232 HydrophobicContact CB-CB 4.18Å; A224-C232 PolarHBondContact O-N 3.46Å; N226-C232 VanDerWaalsContact CG-SG 3.53Å; N226-C232 PolarHBondContact ND2-SG 3.4Å; N226-C232 VanDerWaalsContact ND2-SG 3.4Å; N226-C232 PolarHBondContact OD1-SG 2.96Å
233S92.3Very high90.6Very high9 Ų965.7 Ų65.76%0.06336%0.358CS..EExtended strand (participates in β ladder)trans-153.9148.5178.675.60000111.9Q105 A224Q105-S233 PolarHBondContact NE2-OG 3.03Å; A224-S233 WeakPolarHBondContact CB-OG 3.47Å; A224-S233 PolarHBondContact N-O 3.21Å
234I93.4Very high90.5Very high70 Ų7074 Ų7436%0.35939%0.393SS..EExtended strand (participates in β ladder)trans-126.8135171.3-55178.8000107.8R108 L221 M222 I223 I231R108-I234 PolarHBondContact NH2-O 3.46Å; L221-I234 HydrophobicContact CD1-CG2 3.63Å; M222-I234 CarbonylContact O-C 3.5Å; M222-I234 WeakPolarHBondContact O-CA 3.48Å; I223-I234 HydrophobicContact CG1-CG2 4.46Å; I223-I234 HydrophobicContact CG2-CG1 4.39Å; I231-I234 HydrophobicContact CD1-CD1 4.35Å; I231-I234 HydrophobicContact CG2-CD1 3.92Å; I231-I234 HydrophobicContact CG2-CG1 3.55Å
235Q92.1Very high90.5Very high46 Ų4681.2 Ų81.222%0.21543%0.427CS..EExtended strand (participates in β ladder)trans-133.9121.6173.6-168.6-179.36.600109.8L221 M222L221-Q235 CarbonylContact C-O 3.52Å; L221-Q235 WeakPolarHBondContact CA-O 3.29Å; M222-Q235 HydrophobicContact CB-CB 4.19Å; M222-Q235 PolarHBondContact N-O 3.47Å; M222-Q235 PolarHBondContact O-N 2.7Å
236S91.8Very high90.3Very high65 Ų6582.6 Ų82.646%0.45543%0.434SS..EExtended strand (participates in β ladder)trans-96.9140.2166.7-175.60000109.5
237S89.2Confident90.4Very high18 Ų1884.2 Ų84.213%0.12644%0.444CS..EExtended strand (participates in β ladder)trans-144.6156.3177.455.20000110.7K101 G219 L220K101-S237 PolarHBondContact NZ-OG 3.43Å; G219-S237 CarbonylContact C-O 3.49Å; G219-S237 VanDerWaalsContact CA-O 3.25Å; G219-S237 WeakPolarHBondContact CA-O 3.41Å; L220-S237 PolarHBondContact N-O 3.49Å; L220-S237 PolarHBondContact O-N 2.94Å; L220-S237 PolarHBondContact O-OG 3.3Å
238G82.6Confident90.6Very high55 Ų5583.4 Ų83.457%0.56744%0.443SS*.SBendtrans93.98.9-176.400000115.3D218 I240D218-G238 CarbonylContact O-C 3.59Å; D218-G238 WeakPolarHBondContact O-CA 3.37Å; G238-I240 PolarHBondContact O-N 3.11Å; G238-I240 VanDerWaalsContact O-N 3.09Å
239G82Confident90.8Very high83 Ų8383.7 Ų83.786%0.85644%0.439SS*.SBendtrans64.519.8171.200000115
240I88.5Confident91Very high25 Ų2574.8 Ų74.813%0.12841%0.405CS..  trans-79147.6179.956.5170.9000112.5F198 D218 G238 L242F198-I240 HydrophobicContact CB-CD1 3.67Å; F198-I240 HydrophobicContact CD2-CD1 3.29Å; F198-I240 HydrophobicContact CE2-CD1 4.04Å; F198-I240 HydrophobicContact CG-CD1 3.62Å; D218-I240 HydrophobicContact CB-CG2 3.81Å; G238-I240 PolarHBondContact O-N 3.11Å; G238-I240 VanDerWaalsContact O-N 3.09Å; I240-L242 HydrophobicContact CD1-CD1 3.93Å; I240-L242 HydrophobicContact CD1-CD2 3.72Å; I240-L242 HydrophobicContact CD1-CG 3.81Å; I240-L242 HydrophobicContact CG1-CD1 4.34Å; I240-L242 HydrophobicContact CG1-CD2 4.38Å; I240-L242 HydrophobicContact CG1-CG 4.05Å
241M88.1Confident91.1Very high176 Ų17670.3 Ų70.387%0.86739%0.387SS*.  trans-89.5114.2171.8-68.6-178.9151.300109.5
242L88.8Confident91.2Very high44 Ų4473.7 Ų73.723%0.2340%0.399CS..  trans-108.8133.7-179.5-68.9175.9000111.5F198 L221 I240 V247F198-L242 HydrophobicContact CD1-CD2 3.77Å; F198-L242 HydrophobicContact CD2-CD2 3.97Å; F198-L242 HydrophobicContact CE1-CD2 3.42Å; F198-L242 VanDerWaalsContact CE1-CD2 3.42Å; F198-L242 HydrophobicContact CE2-CD1 3.89Å; F198-L242 HydrophobicContact CE2-CD2 3.66Å; F198-L242 HydrophobicContact CE2-CG 4.42Å; F198-L242 HydrophobicContact CG-CD2 4.01Å; F198-L242 HydrophobicContact CZ-CD1 4.11Å; F198-L242 HydrophobicContact CZ-CD2 3.37Å; F198-L242 HydrophobicContact CZ-CG 4.39Å; L221-L242 HydrophobicContact CB-CD1 4.44Å; L221-L242 HydrophobicContact CD1-CD1 4.33Å; L221-L242 HydrophobicContact CD2-CD1 4.28Å; I240-L242 HydrophobicContact CD1-CD1 3.93Å; I240-L242 HydrophobicContact CD1-CD2 3.72Å; I240-L242 HydrophobicContact CD1-CG 3.81Å; I240-L242 HydrophobicContact CG1-CD1 4.34Å; I240-L242 HydrophobicContact CG1-CD2 4.38Å; I240-L242 HydrophobicContact CG1-CG 4.05Å; L242-V247 HydrophobicContact CB-CG2 4.22Å; L242-V247 HydrophobicContact CD1-CG2 4.42Å
243L91.5Very high91.4Very high119 Ų11973.6 Ų73.662%0.62340%0.396SS*.  trans-76.4145170.9-75145.2000110.2E245 Q246 V247L243-E245 PolarHBondContact O-N 3.33Å; L243-Q246 HydrophobicContact CB-CG 4.11Å; L243-Q246 WeakPolarHBondContact O-CB 3.41Å; L243-Q246 PolarHBondContact O-N 3.16Å; L243-V247 PolarHBondContact O-N 3.17Å
244K92.9Very high91.5Very high173 Ų17373.2 Ų73.275%0.75239%0.393SS*.Hα-helixtrans-53.6-41.9176.6-179.9-178.5175.5-176.90112.2Q246 V247 M248K244-Q246 VanDerWaalsContact C-N 3.29Å; K244-Q246 PolarHBondContact O-N 3.23Å; K244-V247 PolarHBondContact O-N 2.82Å; K244-M248 HydrophobicContact CG-CG 4.48Å; K244-M248 WeakPolarHBondContact O-CG 3.36Å; K244-M248 PolarHBondContact O-N 2.92Å
245E93.3Very high91.6Very high152 Ų15270.9 Ų70.971%0.7138%0.383SS*.Hα-helixtrans-62.8-35.6179.8-70.2-175.8168.700112.8L243 M248 R249L243-E245 PolarHBondContact O-N 3.33Å; E245-M248 PolarHBondContact O-N 3.44Å; E245-R249 PolarHBondContact O-N 2.96Å
246Q91.4Very high91.8Very high32 Ų3272.3 Ų72.315%0.1540%0.395CS..Hα-helixtrans-66.3-45.1176.8-67.1175.8-36.200110.5G202 L243 K244 M248 R249 C250G202-Q246 PolarHBondContact O-NE2 2.83Å; L243-Q246 HydrophobicContact CB-CG 4.11Å; L243-Q246 WeakPolarHBondContact O-CB 3.41Å; L243-Q246 PolarHBondContact O-N 3.16Å; K244-Q246 VanDerWaalsContact C-N 3.29Å; K244-Q246 PolarHBondContact O-N 3.23Å; Q246-M248 VanDerWaalsContact C-N 3.32Å; Q246-M248 PolarHBondContact O-N 2.8Å; Q246-R249 WeakPolarHBondContact O-CB 3.47Å; Q246-R249 PolarHBondContact O-N 3.09Å; Q246-R249 VanDerWaalsContact O-N 3.14Å; Q246-C250 PolarHBondContact O-N 3.26Å; Q246-C250 PolarHBondContact O-SG 3.05Å
247V93.5Very high91.9Very high38 Ų3870.4 Ų70.423%0.2338%0.378CS..Hα-helixtrans-61.4-41.6176.9-178.40000111.2L221 L242 L243 K244 R249 C250 S251L221-V247 HydrophobicContact CD2-CG2 4.44Å; L242-V247 HydrophobicContact CB-CG2 4.22Å; L242-V247 HydrophobicContact CD1-CG2 4.42Å; L243-V247 PolarHBondContact O-N 3.17Å; K244-V247 PolarHBondContact O-N 2.82Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.01Å; V247-C250 WeakPolarHBondContact O-CB 3.21Å; V247-C250 PolarHBondContact O-N 2.79Å; V247-S251 PolarHBondContact O-N 3.43Å
248M94.4Very high92.2Very high104 Ų10469.6 Ų69.651%0.51237%0.372SS..Hα-helixtrans-63.6-37.6175.6-67.3-58.5-63.800112.4K244 E245 Q246 S251 K252K244-M248 HydrophobicContact CG-CG 4.48Å; K244-M248 WeakPolarHBondContact O-CG 3.36Å; K244-M248 PolarHBondContact O-N 2.92Å; E245-M248 PolarHBondContact O-N 3.44Å; Q246-M248 VanDerWaalsContact C-N 3.32Å; Q246-M248 PolarHBondContact O-N 2.8Å; M248-S251 PolarHBondContact O-N 2.83Å; M248-K252 PolarHBondContact O-N 3.42Å
249R93.8Very high92.8Very high133 Ų13368.9 Ų68.950%0.50236%0.359SS..Hα-helixtrans-64-45.4173.2-172.1-173.3-62.6142.81.4111.2E245 Q246 V247 S251 K252 I253E245-R249 PolarHBondContact O-N 2.96Å; Q246-R249 WeakPolarHBondContact O-CB 3.47Å; Q246-R249 PolarHBondContact O-N 3.09Å; Q246-R249 VanDerWaalsContact O-N 3.14Å; V247-R249 VanDerWaalsContact C-N 3.33Å; V247-R249 PolarHBondContact O-N 3.01Å; R249-S251 VanDerWaalsContact C-N 3.32Å; R249-S251 PolarHBondContact O-N 3.28Å; R249-K252 PolarHBondContact O-N 2.86Å; R249-I253 HydrophobicContact CG-CD1 4.14Å; R249-I253 WeakPolarHBondContact O-CG1 3.27Å; R249-I253 PolarHBondContact O-N 2.85Å; R249-I253 VanDerWaalsContact O-N 3.12Å
250C94.4Very high93.4Very high1 Ų168.8 Ų68.81%0.00734%0.336CS..Hα-helixtrans-59.1-43.9177-60.30000111.4F196 L205 L221 I223 Q246 V247 K252 I253 A254F196-C250 HydrophobicContact CD1-CB 4.35Å; F196-C250 HydrophobicContact CD2-CB 3.95Å; F196-C250 HydrophobicContact CE1-CB 4.19Å; F196-C250 HydrophobicContact CE2-CB 3.81Å; F196-C250 HydrophobicContact CG-CB 4.22Å; F196-C250 HydrophobicContact CZ-CB 3.93Å; F196-C250 WeakPolarHBondContact CZ-O 3.41Å; L205-C250 WeakPolarHBondContact CD1-SG 3.39Å; L221-C250 HydrophobicContact CD2-CB 4.14Å; I223-C250 HydrophobicContact CD1-CB 3.69Å; Q246-C250 PolarHBondContact O-N 3.26Å; Q246-C250 PolarHBondContact O-SG 3.05Å; V247-C250 WeakPolarHBondContact O-CB 3.21Å; V247-C250 PolarHBondContact O-N 2.79Å; C250-K252 VanDerWaalsContact C-N 3.34Å; C250-K252 PolarHBondContact O-N 3.42Å; C250-I253 PolarHBondContact O-N 2.92Å; C250-A254 WeakPolarHBondContact O-CB 3.33Å; C250-A254 PolarHBondContact O-N 3.02Å
251S95.4Very high93.7Very high22 Ų2267.9 Ų67.915%0.15433%0.332CS..Hα-helixtrans-60.8-40.4178.1174.50000112.7V247 M248 R249 A254 S255V247-S251 PolarHBondContact O-N 3.43Å; M248-S251 PolarHBondContact O-N 2.83Å; R249-S251 VanDerWaalsContact C-N 3.32Å; R249-S251 PolarHBondContact O-N 3.28Å; S251-A254 PolarHBondContact O-N 3.45Å; S251-S255 PolarHBondContact O-N 3.48Å
252K94.9Very high94.1Very high151 Ų15159.6 Ų59.666%0.65729%0.291SS*.Hα-helixtrans-63.3-45.2175.1-70.4179.4179.9-176.30111.7M248 R249 C250 S255 V256M248-K252 PolarHBondContact O-N 3.42Å; R249-K252 PolarHBondContact O-N 2.86Å; C250-K252 VanDerWaalsContact C-N 3.34Å; C250-K252 PolarHBondContact O-N 3.42Å; K252-S255 PolarHBondContact O-N 2.89Å; K252-S255 PolarHBondContact O-OG 3.38Å; K252-V256 PolarHBondContact O-N 2.88Å
253I94.8Very high94.4Very high30 Ų3062.2 Ų62.215%0.15430%0.302CS..Hα-helixtrans-63.8-46178.4-63165.9000110.4Y30 F196 L205 V207 R249 C250 S255 V256 K257Y30-I253 HydrophobicContact CD1-CD1 4.08Å; Y30-I253 HydrophobicContact CE1-CD1 3.9Å; F196-I253 HydrophobicContact CE1-CB 4.19Å; F196-I253 HydrophobicContact CE1-CG2 4.02Å; F196-I253 HydrophobicContact CZ-CB 4.32Å; F196-I253 HydrophobicContact CZ-CG2 4.38Å; L205-I253 HydrophobicContact CD2-CD1 4.3Å; V207-I253 HydrophobicContact CG2-CG2 4.29Å; R249-I253 HydrophobicContact CG-CD1 4.14Å; R249-I253 WeakPolarHBondContact O-CG1 3.27Å; R249-I253 PolarHBondContact O-N 2.85Å; R249-I253 VanDerWaalsContact O-N 3.12Å; C250-I253 PolarHBondContact O-N 2.92Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.45Å; I253-V256 PolarHBondContact O-N 2.82Å; I253-V256 VanDerWaalsContact O-N 3.15Å; I253-K257 HydrophobicContact CG2-CG 4.45Å; I253-K257 PolarHBondContact O-N 3.32Å; I253-K257 VanDerWaalsContact O-N 3.11Å
254A95.7Very high94.5Very high0 Ų060.4 Ų60.40%029%0.293CS..Hα-helixtrans-57.1-40.4177.200000111.6V194 F196 I223 M225 C250 S251 V256 K257 V258V194-A254 HydrophobicContact CB-CB 4.08Å; V194-A254 HydrophobicContact CG1-CB 4.19Å; V194-A254 HydrophobicContact CG2-CB 4.22Å; F196-A254 HydrophobicContact CE2-CB 3.99Å; F196-A254 HydrophobicContact CZ-CB 3.87Å; I223-A254 HydrophobicContact CB-CB 4.41Å; I223-A254 HydrophobicContact CG2-CB 4.41Å; M225-A254 HydrophobicContact CG-CB 4.42Å; M225-A254 HydrophobicContact SD-CB 3.62Å; C250-A254 WeakPolarHBondContact O-CB 3.33Å; C250-A254 PolarHBondContact O-N 3.02Å; S251-A254 PolarHBondContact O-N 3.45Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.95Å; A254-K257 PolarHBondContact O-N 2.92Å; A254-V258 WeakPolarHBondContact O-CB 3.4Å; A254-V258 WeakPolarHBondContact O-CG2 3.23Å; A254-V258 PolarHBondContact O-N 2.82Å
255S95.1Very high94.7Very high22 Ų2252.2 Ų52.215%0.15426%0.257CS..Hα-helixtrans-60.2-37.3179.375.80000113.5S251 K252 I253 S259S251-S255 PolarHBondContact O-N 3.48Å; K252-S255 PolarHBondContact O-N 2.89Å; K252-S255 PolarHBondContact O-OG 3.38Å; I253-S255 VanDerWaalsContact C-N 3.26Å; I253-S255 PolarHBondContact O-N 3.45Å; S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.05Å
256V95.3Very high94.7Very high76 Ų7647.6 Ų47.646%0.46124%0.237SC..Hα-helixtrans-72.6-43.5177.61800000110.3K252 I253 A254 S259 E260K252-V256 PolarHBondContact O-N 2.88Å; I253-V256 PolarHBondContact O-N 2.82Å; I253-V256 VanDerWaalsContact O-N 3.15Å; A254-V256 VanDerWaalsContact C-N 3.29Å; A254-V256 PolarHBondContact O-N 2.95Å; V256-S259 WeakPolarHBondContact CA-OG 3.46Å; V256-S259 PolarHBondContact O-N 2.75Å; V256-S259 PolarHBondContact O-OG 2.94Å; V256-E260 WeakPolarHBondContact O-CG 3.4Å; V256-E260 PolarHBondContact O-N 3.47Å; V256-E260 VanDerWaalsContact O-N 3.16Å
257K94.5Very high94.9Very high25 Ų2552.7 Ų52.711%0.10926%0.259CS..Hα-helixtrans-67.4-37.8179.6-64.4-46.7-170-172.80113.3Y30 Y32 V194 I253 A254 S259 E260 I261Y30-K257 WeakPolarHBondContact O-CE 3.46Å; Y32-K257 HydrophobicContact CD2-CB 4.32Å; Y32-K257 HydrophobicContact CD2-CD 4.21Å; Y32-K257 HydrophobicContact CD2-CG 4.15Å; Y32-K257 HydrophobicContact CE2-CB 3.86Å; Y32-K257 HydrophobicContact CE2-CG 3.95Å; V194-K257 HydrophobicContact CG2-CB 4.39Å; I253-K257 HydrophobicContact CG2-CG 4.45Å; I253-K257 PolarHBondContact O-N 3.32Å; I253-K257 VanDerWaalsContact O-N 3.11Å; A254-K257 PolarHBondContact O-N 2.92Å; K257-S259 VanDerWaalsContact C-N 3.33Å; K257-S259 PolarHBondContact O-N 2.86Å; K257-E260 VanDerWaalsContact CD-OE2 3.23Å; K257-E260 WeakPolarHBondContact CD-OE2 3.27Å; K257-E260 IonicContact NZ-OE1 3.45Å; K257-E260 PolarHBondContact NZ-OE1 2.98Å; K257-E260 VanDerWaalsContact NZ-OE1 3.08Å; K257-E260 IonicContact NZ-OE2 3.51Å; K257-E260 PolarHBondContact NZ-OE2 3.3Å; K257-E260 PolarHBondContact O-N 3.26Å; K257-I261 VanDerWaalsContact O-CG1 3.26Å; K257-I261 WeakPolarHBondContact O-CG1 3.38Å; K257-I261 PolarHBondContact O-N 3.49Å
258V95.6Very high94.9Very high0 Ų051.9 Ų51.90%026%0.256CS..Hα-helixtrans-63.2-39.1173.9168.40000111.5I192 V194 M225 A254 T262I192-V258 HydrophobicContact CB-CG1 4.29Å; I192-V258 HydrophobicContact CB-CG2 4.04Å; I192-V258 HydrophobicContact CD1-CG1 4.33Å; I192-V258 HydrophobicContact CG2-CG2 4.39Å; V194-V258 HydrophobicContact CG2-CG2 3.8Å; M225-V258 HydrophobicContact CB-CG2 4.01Å; M225-V258 WeakPolarHBondContact O-CG1 3.46Å; A254-V258 WeakPolarHBondContact O-CB 3.4Å; A254-V258 WeakPolarHBondContact O-CG2 3.23Å; A254-V258 PolarHBondContact O-N 2.82Å; V258-T262 VanDerWaalsContact O-CB 3.26Å; V258-T262 WeakPolarHBondContact O-CB 3.27Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.43Å
259S94.9Very high94.8Very high41 Ų4147.7 Ų47.729%0.28724%0.236SC..Hα-helixtrans-62.4-46.7174.738.40000112.5S255 V256 K257 I261 T262 E263S255-S259 PolarHBondContact O-N 2.9Å; S255-S259 PolarHBondContact O-OG 3.05Å; V256-S259 WeakPolarHBondContact CA-OG 3.46Å; V256-S259 PolarHBondContact O-N 2.75Å; V256-S259 PolarHBondContact O-OG 2.94Å; K257-S259 VanDerWaalsContact C-N 3.33Å; K257-S259 PolarHBondContact O-N 2.86Å; S259-I261 PolarHBondContact O-N 3.09Å; S259-T262 PolarHBondContact O-N 3.06Å; S259-E263 WeakPolarHBondContact O-CG 3.15Å; S259-E263 PolarHBondContact O-N 3.02Å
260E94.6Very high94.8Very high81 Ų8146.6 Ų46.638%0.37924%0.239SC..Hα-helixtrans-57.7-48.3177.8-68.6170.3-162.200111.5V256 K257 E263 L264V256-E260 WeakPolarHBondContact O-CG 3.4Å; V256-E260 PolarHBondContact O-N 3.47Å; V256-E260 VanDerWaalsContact O-N 3.16Å; K257-E260 VanDerWaalsContact CD-OE2 3.23Å; K257-E260 WeakPolarHBondContact CD-OE2 3.27Å; K257-E260 IonicContact NZ-OE1 3.45Å; K257-E260 PolarHBondContact NZ-OE1 2.98Å; K257-E260 VanDerWaalsContact NZ-OE1 3.08Å; K257-E260 IonicContact NZ-OE2 3.51Å; K257-E260 PolarHBondContact NZ-OE2 3.3Å; K257-E260 PolarHBondContact O-N 3.26Å; E260-E263 PolarHBondContact O-N 3.21Å; E260-L264 PolarHBondContact O-N 3.08Å
261I95.4Very high94.7Very high6 Ų651.9 Ų51.93%0.03127%0.267CS..Hα-helixtrans-68.7-38.8-179-59.7167.2000110.9Y32 I35 V151 I192 K257 S259 E263 L264 I265Y32-I261 HydrophobicContact CE2-CD1 4.26Å; I35-I261 HydrophobicContact CD1-CD1 4.19Å; I35-I261 HydrophobicContact CD1-CG1 3.89Å; I35-I261 HydrophobicContact CD1-CG2 4.43Å; V151-I261 HydrophobicContact CG1-CG2 4.42Å; V151-I261 HydrophobicContact CG2-CG2 3.68Å; I192-I261 HydrophobicContact CD1-CB 3.95Å; I192-I261 HydrophobicContact CD1-CG2 3.75Å; I192-I261 HydrophobicContact CG2-CD1 4.14Å; I192-I261 HydrophobicContact CG2-CG2 4.3Å; K257-I261 VanDerWaalsContact O-CG1 3.26Å; K257-I261 WeakPolarHBondContact O-CG1 3.38Å; K257-I261 PolarHBondContact O-N 3.49Å; S259-I261 PolarHBondContact O-N 3.09Å; I261-E263 VanDerWaalsContact C-N 3.3Å; I261-E263 PolarHBondContact O-N 3.03Å; I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 2.82Å; I261-I265 HydrophobicContact CG2-CD1 4.17Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 2.97Å
262T95Very high94.4Very high2 Ų251.7 Ų51.71%0.01227%0.265CS..Hα-helixtrans-63-39.2176.9-56.40000111.2M190 I192 K227 V258 S259 I265 N266M190-T262 HydrophobicContact SD-CG2 4.05Å; I192-T262 WeakPolarHBondContact CD1-OG1 3.32Å; K227-T262 HydrophobicContact CB-CG2 4.4Å; K227-T262 HydrophobicContact CD-CG2 4.1Å; V258-T262 VanDerWaalsContact O-CB 3.26Å; V258-T262 WeakPolarHBondContact O-CB 3.27Å; V258-T262 PolarHBondContact O-N 2.8Å; V258-T262 PolarHBondContact O-OG1 3.43Å; S259-T262 PolarHBondContact O-N 3.06Å; T262-I265 PolarHBondContact O-N 2.95Å; T262-N266 PolarHBondContact O-N 3.11Å; T262-N266 PolarHBondContact O-ND2 2.86Å
263E95.3Very high94.2Very high99 Ų9949.4 Ų49.446%0.46326%0.255SS..Hα-helixtrans-64.9-41.4174.4-74.2176.3-163.200111.9S259 E260 I261 I265 N266 K267S259-E263 WeakPolarHBondContact O-CG 3.15Å; S259-E263 PolarHBondContact O-N 3.02Å; E260-E263 PolarHBondContact O-N 3.21Å; I261-E263 VanDerWaalsContact C-N 3.3Å; I261-E263 PolarHBondContact O-N 3.03Å; E263-I265 PolarHBondContact O-N 2.62Å; E263-N266 PolarHBondContact O-N 2.79Å; E263-K267 WeakPolarHBondContact O-CB 3.35Å; E263-K267 WeakPolarHBondContact O-CG 3.11Å; E263-K267 PolarHBondContact O-N 2.83Å
264L95.4Very high94Very high81 Ų8151.9 Ų51.942%0.42427%0.272SS..Hα-helixtrans-59.6-44.9173.9-79.4169.7000112.4E260 I261 N266 K267 A268E260-L264 PolarHBondContact O-N 3.08Å; I261-L264 WeakPolarHBondContact O-CB 3.47Å; I261-L264 PolarHBondContact O-N 2.82Å; L264-N266 PolarHBondContact O-N 3.47Å; L264-K267 PolarHBondContact O-N 3.42Å; L264-A268 WeakPolarHBondContact O-CB 3.2Å; L264-A268 PolarHBondContact O-N 2.87Å
265I95.1Very high93.6Very high0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-60.6-46.8176.9-66.4165.9000110.4I37 V151 I154 I192 I261 T262 E263 A268 L269I37-I265 HydrophobicContact CD1-CB 4.39Å; I37-I265 HydrophobicContact CD1-CG1 3.64Å; V151-I265 HydrophobicContact CG1-CD1 4.15Å; V151-I265 HydrophobicContact CG1-CG1 4.24Å; I154-I265 HydrophobicContact CG2-CD1 4.36Å; I192-I265 HydrophobicContact CD1-CD1 3.9Å; I261-I265 HydrophobicContact CG2-CD1 4.17Å; I261-I265 WeakPolarHBondContact O-CG1 3.39Å; I261-I265 PolarHBondContact O-N 2.97Å; T262-I265 PolarHBondContact O-N 2.95Å; E263-I265 PolarHBondContact O-N 2.62Å; I265-A268 PolarHBondContact O-N 3.44Å; I265-L269 HydrophobicContact CG2-CD1 3.86Å; I265-L269 HydrophobicContact CG2-CG 4.38Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.27Å; I265-L269 PolarHBondContact O-N 2.99Å
266N95Very high93.2Very high55 Ų5554.7 Ų54.729%0.29429%0.286SS..Hα-helixtrans-64.6-42.2179.9-74.3-54.6000112.3T262 E263 L264 A268 L269 L270T262-N266 PolarHBondContact O-N 3.11Å; T262-N266 PolarHBondContact O-ND2 2.86Å; E263-N266 PolarHBondContact O-N 2.79Å; L264-N266 PolarHBondContact O-N 3.47Å; N266-A268 VanDerWaalsContact C-N 3.35Å; N266-L269 PolarHBondContact O-N 3.2Å; N266-L270 WeakPolarHBondContact O-CG 3.07Å; N266-L270 PolarHBondContact O-N 3.43Å
267K95.4Very high92.9Very high139 Ų13959.8 Ų59.860%0.60430%0.302SS*.Hα-helixtrans-60.6-44.4174.3-75.3177.8-179.4177.90111.2E263 L264 L270 N271E263-K267 WeakPolarHBondContact O-CB 3.35Å; E263-K267 WeakPolarHBondContact O-CG 3.11Å; E263-K267 PolarHBondContact O-N 2.83Å; L264-K267 PolarHBondContact O-N 3.42Å; K267-L270 PolarHBondContact O-N 2.84Å; K267-N271 WeakPolarHBondContact O-CB 3.4Å; K267-N271 PolarHBondContact O-N 3.34Å
268A93.1Very high92.5Very high22 Ų2262.8 Ų62.818%0.18233%0.332CS..Hα-helixtrans-61.8-44.9177.100000111.9I37 F39 L264 I265 N266 L270 N271 D272I37-A268 HydrophobicContact CB-CB 4.19Å; I37-A268 HydrophobicContact CG2-CB 4.36Å; F39-A268 HydrophobicContact CE2-CB 3.92Å; F39-A268 HydrophobicContact CZ-CB 4.27Å; L264-A268 WeakPolarHBondContact O-CB 3.2Å; L264-A268 PolarHBondContact O-N 2.87Å; I265-A268 PolarHBondContact O-N 3.44Å; N266-A268 VanDerWaalsContact C-N 3.35Å; A268-L270 PolarHBondContact O-N 3.29Å; A268-N271 PolarHBondContact O-N 3.48Å; A268-D272 PolarHBondContact O-N 3.09Å
269L92.5Very high91.7Very high15 Ų1566 Ų668%0.07937%0.365CS..Hα-helixtrans-65.1-36.6177.9-71.5168.4000112.9F39 C158 H159 I265 N266 K273F39-L269 HydrophobicContact CE1-CD2 3.87Å; F39-L269 HydrophobicContact CE2-CD2 4.32Å; F39-L269 HydrophobicContact CZ-CD2 3.53Å; F39-L269 HydrophobicContact CZ-CG 4.01Å; C158-L269 HydrophobicContact CB-CD1 3.51Å; C158-L269 HydrophobicContact CB-CD2 4.11Å; C158-L269 HydrophobicContact CB-CG 4.46Å; H159-L269 HydrophobicContact CB-CD2 4.16Å; I265-L269 HydrophobicContact CG2-CD1 3.86Å; I265-L269 HydrophobicContact CG2-CG 4.38Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.27Å; I265-L269 PolarHBondContact O-N 2.99Å; N266-L269 PolarHBondContact O-N 3.2Å; L269-K273 WeakPolarHBondContact O-CB 3.47Å; L269-K273 VanDerWaalsContact O-CG 3.27Å; L269-K273 WeakPolarHBondContact O-CG 3.2Å; L269-K273 PolarHBondContact O-N 2.88Å; L269-K273 VanDerWaalsContact O-N 3.09Å
270L93.7Very high90.6Very high110 Ų11065.7 Ų65.758%0.57637%0.368SS*.Hα-helixtrans-66.8-45175.2-73.6170.8000111.1N266 K267 A268 D272 K273 T274N266-L270 WeakPolarHBondContact O-CG 3.07Å; N266-L270 PolarHBondContact O-N 3.43Å; K267-L270 PolarHBondContact O-N 2.84Å; A268-L270 PolarHBondContact O-N 3.29Å; L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 3.19Å; L270-K273 PolarHBondContact O-N 2.99Å; L270-T274 PolarHBondContact O-N 2.86Å; L270-T274 PolarHBondContact O-OG1 3.33Å; L270-T274 VanDerWaalsContact O-OG1 3.12Å
271N91.4Very high89.2Confident112 Ų11269.1 Ų69.160%0.59938%0.378SS*.Hα-helixtrans-60.7-43.3177.8-169.315.8000111.9K267 A268 T274 A275K267-N271 WeakPolarHBondContact O-CB 3.4Å; K267-N271 PolarHBondContact O-N 3.34Å; A268-N271 PolarHBondContact O-N 3.48Å; N271-T274 WeakPolarHBondContact CA-OG1 3.44Å; N271-T274 PolarHBondContact O-N 2.89Å; N271-T274 PolarHBondContact O-OG1 2.95Å; N271-A275 WeakPolarHBondContact O-CB 3.35Å; N271-A275 PolarHBondContact O-N 3.13Å
272D90.3Very high87.9Confident19 Ų1971 Ų7110%0.10239%0.391CS..Hα-helixtrans-62.5-44.3175.5-177.980.2000112F39 H159 A268 L270 T274 A275 R276F39-D272 HydrophobicContact CD2-CB 3.62Å; F39-D272 HydrophobicContact CE2-CB 4.01Å; F39-D272 HydrophobicContact CG-CB 4.42Å; H159-D272 IonicContact CD2-OD2 3.82Å; H159-D272 IonicContact NE2-OD2 2.75Å; H159-D272 PolarHBondContact NE2-OD2 2.84Å; A268-D272 PolarHBondContact O-N 3.09Å; L270-D272 VanDerWaalsContact C-N 3.35Å; L270-D272 PolarHBondContact O-N 3.19Å; D272-T274 VanDerWaalsContact C-N 3.32Å; D272-T274 PolarHBondContact O-N 3.36Å; D272-A275 PolarHBondContact O-N 3.17Å; D272-R276 WeakPolarHBondContact O-CG 3.36Å; D272-R276 PolarHBondContact O-N 3.16Å; D272-R276 IonicContact OD1-NE 3.56Å; D272-R276 IonicContact OD1-NH2 3.49Å; D272-R276 IonicContact OD2-CZ 2.88Å; D272-R276 IonicContact OD2-NE 2.99Å; D272-R276 PolarHBondContact OD2-NE 3.41Å; D272-R276 IonicContact OD2-NH2 2.91Å
273K89.8Confident86.7Confident102 Ų10271.6 Ų71.644%0.44340%0.397SS..Hα-helixtrans-60.7-39.7175.6-75173.3-175.8178.70112.3L269 L270 K277L269-K273 WeakPolarHBondContact O-CB 3.47Å; L269-K273 VanDerWaalsContact O-CG 3.27Å; L269-K273 WeakPolarHBondContact O-CG 3.2Å; L269-K273 PolarHBondContact O-N 2.88Å; L269-K273 VanDerWaalsContact O-N 3.09Å; L270-K273 PolarHBondContact O-N 2.99Å; K273-K277 WeakPolarHBondContact O-CB 3.25Å; K273-K277 VanDerWaalsContact O-CG 3.25Å; K273-K277 WeakPolarHBondContact O-CG 3.34Å; K273-K277 PolarHBondContact O-N 2.78Å; K273-K277 VanDerWaalsContact O-N 3.14Å
274T90.9Very high85.6Confident83 Ų8369.5 Ų69.551%0.50939%0.386SS..Hα-helixtrans-70.6-41.1177.146.70000111.9L270 N271 D272 K277 A278L270-T274 PolarHBondContact O-N 2.86Å; L270-T274 PolarHBondContact O-OG1 3.33Å; L270-T274 VanDerWaalsContact O-OG1 3.12Å; N271-T274 WeakPolarHBondContact CA-OG1 3.44Å; N271-T274 PolarHBondContact O-N 2.89Å; N271-T274 PolarHBondContact O-OG1 2.95Å; D272-T274 VanDerWaalsContact C-N 3.32Å; D272-T274 PolarHBondContact O-N 3.36Å; T274-K277 PolarHBondContact O-N 3.5Å; T274-A278 WeakPolarHBondContact O-CB 3.42Å; T274-A278 PolarHBondContact O-N 3.43Å
275A88Confident84.1Confident35 Ų3569 Ų6929%0.28939%0.394SS..Hα-helixtrans-62-45.4177.400000111.7N271 D272 K277 A278 G279 G280N271-A275 WeakPolarHBondContact O-CB 3.35Å; N271-A275 PolarHBondContact O-N 3.13Å; D272-A275 PolarHBondContact O-N 3.17Å; A275-K277 PolarHBondContact O-N 2.82Å; A275-A278 PolarHBondContact O-N 3.04Å; A275-G279 PolarHBondContact O-N 2.86Å; A275-G280 PolarHBondContact O-N 2.96Å
276R86.8Confident82.8Confident46 Ų4673.1 Ų73.117%0.17441%0.413CS..Hα-helixtrans-63.8-39175.9-69.2-177.9-169.8-105.4-11.7112.4G40 T41 Y43 H159 D272 A278 G279 C282G40-R276 PolarHBondContact O-NH2 3.28Å; T41-R276 PolarHBondContact O-NH1 3.39Å; T41-R276 PolarHBondContact O-NH2 3.14Å; Y43-R276 VanDerWaalsContact CE1-NH1 3.33Å; H159-R276 PolarHBondContact CE1-NH2 2.9Å; H159-R276 VanDerWaalsContact CE1-NH2 3.26Å; H159-R276 PolarHBondContact NE2-NH2 3.21Å; D272-R276 WeakPolarHBondContact O-CG 3.36Å; D272-R276 PolarHBondContact O-N 3.16Å; D272-R276 IonicContact OD1-NE 3.56Å; D272-R276 IonicContact OD1-NH2 3.49Å; D272-R276 IonicContact OD2-CZ 2.88Å; D272-R276 IonicContact OD2-NE 2.99Å; D272-R276 PolarHBondContact OD2-NE 3.41Å; D272-R276 IonicContact OD2-NH2 2.91Å; R276-A278 VanDerWaalsContact C-N 3.34Å; R276-G279 PolarHBondContact O-N 3.41Å; R276-C282 HydrophobicContact CG-CB 4.45Å
277K87.8Confident81.6Confident183 Ų18372.1 Ų72.180%0.79641%0.411SS*.Hα-helixtrans-66.6-34.3175.7-77.7177.7179.9-172.50113.1K273 T274 A275 G279K273-K277 WeakPolarHBondContact O-CB 3.25Å; K273-K277 VanDerWaalsContact O-CG 3.25Å; K273-K277 WeakPolarHBondContact O-CG 3.34Å; K273-K277 PolarHBondContact O-N 2.78Å; K273-K277 VanDerWaalsContact O-N 3.14Å; T274-K277 PolarHBondContact O-N 3.5Å; A275-K277 PolarHBondContact O-N 2.82Å; K277-G279 PolarHBondContact O-N 3.24Å
278A87.4Confident80.6Confident88 Ų8868.4 Ų68.473%0.72740%0.397SS*.THydrogen-bonded Turntrans-74.2-2.4176.300000113.1T274 A275 R276 G280T274-A278 WeakPolarHBondContact O-CB 3.42Å; T274-A278 PolarHBondContact O-N 3.43Å; A275-A278 PolarHBondContact O-N 3.04Å; R276-A278 VanDerWaalsContact C-N 3.34Å; A278-G280 PolarHBondContact O-N 3.21Å
279G78.3Confident79.4Confident67 Ų6770.9 Ų70.969%0.69141%0.411SS*.THydrogen-bonded Turntrans68.219.4-173.800000112.9A275 R276 K277A275-G279 PolarHBondContact O-N 2.86Å; R276-G279 PolarHBondContact O-N 3.41Å; K277-G279 PolarHBondContact O-N 3.24Å
280G70.4Confident78.1Confident35 Ų3577 Ų7736%0.36144%0.439SS..  trans-61.9143.3175.500000110.3A275 A278 C282A275-G280 PolarHBondContact O-N 2.96Å; A278-G280 PolarHBondContact O-N 3.21Å; G280-C282 PolarHBondContact O-N 3.34Å
281R66.1Low76.5Confident153 Ų15381 Ų8158%0.57746%0.455SS*.  trans-56.6132.1165.1-65.5178.5-170.1-175.37.9106.1E286 D299R281-E286 WeakPolarHBondContact CA-OE2 3.31Å; R281-E286 WeakPolarHBondContact CB-OE2 3.22Å; R281-D299 IonicContact CZ-OD2 3.7Å; R281-D299 IonicContact NH1-OD1 3.68Å; R281-D299 PolarHBondContact NH1-OD1 2.88Å; R281-D299 IonicContact NH1-OD2 3.87Å; R281-D299 PolarHBondContact NH1-OD2 2.91Å; R281-D299 IonicContact NH2-OD2 3.77Å; R281-D299 PolarHBondContact NH2-OD2 2.93Å
282C68.2Low75.3Confident45 Ų4583.7 Ų83.730%0.30446%0.457SS..  trans-122144.3-175.8570000108.8T41 R276 G280T41-C282 WeakPolarHBondContact CG2-O 3.41Å; R276-C282 HydrophobicContact CG-CB 4.45Å; G280-C282 PolarHBondContact O-N 3.34Å
283G69.1Low74.5Confident14 Ų1491.4 Ų91.414%0.14450%0.496CS..SBendtrans138173.8170.900000115.1F39 A285 E286 S287F39-G283 CarbonylContact O-C 3.55Å; F39-G283 WeakPolarHBondContact O-CA 3.25Å; G283-A285 VanDerWaalsContact C-N 3.33Å; G283-A285 PolarHBondContact O-N 3.41Å; G283-E286 PolarHBondContact O-N 3.27Å; G283-S287 PolarHBondContact O-N 3.24Å
284F72.4Confident73.8Confident55 Ų5592.4 Ų92.424%0.24151%0.511CS..Hα-helixtrans-57.9-43-176.7-179.2-105.5000113T38 F39 F47 E286 S287 I288T38-F284 HydrophobicContact CG2-CD2 4.1Å; F39-F284 PolarHBondContact O-N 2.76Å; F47-F284 HydrophobicContact CB-CD2 4.06Å; F47-F284 HydrophobicContact CB-CE2 4.18Å; F47-F284 HydrophobicContact CD1-CD2 4.14Å; F47-F284 HydrophobicContact CD1-CE2 4.16Å; F47-F284 HydrophobicContact CD2-CB 4.01Å; F47-F284 AromaticContact CD2-CD2 3.58Å; F47-F284 HydrophobicContact CD2-CD2 3.58Å; F47-F284 HydrophobicContact CD2-CE2 4.37Å; F47-F284 HydrophobicContact CD2-CG 4.03Å; F47-F284 HydrophobicContact CE2-CB 3.77Å; F47-F284 HydrophobicContact CE2-CD2 4.01Å; F47-F284 AromaticContact CE2-CG 3.99Å; F47-F284 HydrophobicContact CE2-CG 3.99Å; F47-F284 AromaticContact CG-CD2 3.65Å; F47-F284 HydrophobicContact CG-CD2 3.65Å; F47-F284 AromaticContact CG-CE2 3.98Å; F47-F284 HydrophobicContact CG-CE2 3.98Å; F47-F284 HydrophobicContact CG-CG 4.43Å; F47-F284 HydrophobicContact CZ-CB 4.45Å; F47-F284 HydrophobicContact CZ-CD2 4.46Å; F47-F284 HydrophobicContact CZ-CG 4.35Å; F284-E286 PolarHBondContact O-N 2.75Å; F284-S287 WeakPolarHBondContact O-CB 3.45Å; F284-S287 PolarHBondContact O-N 2.93Å; F284-S287 VanDerWaalsContact O-N 3.14Å; F284-S287 PolarHBondContact O-OG 3.1Å; F284-I288 HydrophobicContact CD1-CD1 4.12Å; F284-I288 HydrophobicContact CE1-CD1 3.76Å; F284-I288 HydrophobicContact CE1-CG1 4.39Å; F284-I288 HydrophobicContact CZ-CD1 4.32Å; F284-I288 PolarHBondContact O-N 3.38Å
285A63.5Low72.9Confident70 Ų7090 Ų9058%0.57950%0.5SS*.Hα-helixtrans-62.5-26.4-176.600000113.9G283G283-A285 VanDerWaalsContact C-N 3.33Å; G283-A285 PolarHBondContact O-N 3.41Å
286E68.6Low72.3Confident87 Ų8796 Ų9641%0.40753%0.526SS..Hα-helixtrans-88.8-22.9179.7-170.7158-160.300113R281 G283 F284 I288R281-E286 WeakPolarHBondContact CA-OE2 3.31Å; R281-E286 WeakPolarHBondContact CB-OE2 3.22Å; G283-E286 PolarHBondContact O-N 3.27Å; F284-E286 PolarHBondContact O-N 2.75Å; E286-I288 PolarHBondContact O-N 2.83Å
287S70.6Confident71.6Confident34 Ų3498.1 Ų98.124%0.23854%0.536CS..Hα-helixtrans-73.6-13.3172.3820000113.5K36 T38 G283 F284K36-S287 PolarHBondContact NZ-O 3.14Å; T38-S287 VanDerWaalsContact CG2-CB 3.44Å; T38-S287 WeakPolarHBondContact CG2-OG 3.3Å; G283-S287 PolarHBondContact O-N 3.24Å; F284-S287 WeakPolarHBondContact O-CB 3.45Å; F284-S287 PolarHBondContact O-N 2.93Å; F284-S287 VanDerWaalsContact O-N 3.14Å; F284-S287 PolarHBondContact O-OG 3.1Å
288I74.7Confident71Confident61 Ų6193.8 Ų93.831%0.31353%0.525SS..SBendtrans-78.7124.3177.8-62.2172.1000107.5F284 E286 Q290 A295F284-I288 HydrophobicContact CD1-CD1 4.12Å; F284-I288 HydrophobicContact CE1-CD1 3.76Å; F284-I288 HydrophobicContact CE1-CG1 4.39Å; F284-I288 HydrophobicContact CZ-CD1 4.32Å; F284-I288 PolarHBondContact O-N 3.38Å; E286-I288 PolarHBondContact O-N 2.83Å; I288-Q290 PolarHBondContact O-N 3.11Å; I288-A295 HydrophobicContact CG2-CB 3.86Å
289P67.6Low70.2Confident74 Ų7494.1 Ų94.148%0.48152%0.515SS..  trans-61.4127.4177.925-32.6000109.9E291P289-E291 PolarHBondContact O-N 2.88Å
290Q65Low69.8Low145 Ų14599.6 Ų99.668%0.67852%0.523SS*.THydrogen-bonded Turntrans-69.2-18.6-179.6-65.3177.9-100112.5I288 R292I288-Q290 PolarHBondContact O-N 3.11Å; Q290-R292 PolarHBondContact O-N 2.85Å; Q290-R292 VanDerWaalsContact O-N 3.17Å
291E60Low69.9Low194 Ų194103.7 Ų103.791%0.90754%0.541SS*.THydrogen-bonded Turntrans-80.611.2-175.4-60.5179.7173.600113.9P289P289-E291 PolarHBondContact O-N 2.88Å
292R65.1Low70Confident168 Ų168101.4 Ų101.463%0.63456%0.555SS**SBendtrans-104128.9179.6-148.3174-172166.61.1110.1Q290 T294 A295Q290-R292 PolarHBondContact O-N 2.85Å; Q290-R292 VanDerWaalsContact O-N 3.17Å; R292-T294 PolarHBondContact O-N 2.88Å; R292-A295 PolarHBondContact O-N 3.04Å
293I74.3Confident70.4Confident180 Ų180104 Ų10492%0.92357%0.569SS**THydrogen-bonded Turntrans-49-28.9178.8-57.6169000112.6A295I293-A295 PolarHBondContact O-N 3.39Å
294T74.5Confident70.4Confident124 Ų124111.6 Ų111.676%0.76160%0.6SS**THydrogen-bonded Turntrans-79.9-8.4-177.555.80000115.1R292R292-T294 PolarHBondContact O-N 2.88Å
295A72.5Confident70Confident33 Ų33115.1 Ų115.127%0.27362%0.619SS.*  trans-128.9116-175.600000110.6I288 R292 I293I288-A295 HydrophobicContact CG2-CB 3.86Å; R292-A295 PolarHBondContact O-N 3.04Å; I293-A295 PolarHBondContact O-N 3.39Å
296L76.6Confident70.2Confident161 Ų161116.7 Ų116.784%0.84362%0.622SS**  trans-114.3124.3170.2-173.673.7000108.4
297K70.6Confident70Confident89 Ų89117.4 Ų117.439%0.38763%0.629SS.*  trans-110.9113.5169.4-177.8-177.5179.9179.60107.6
298T75.8Confident69.9Low92 Ų92119.3 Ų119.356%0.56464%0.638SS**  trans-118.7118.1175-49.70000108.2Q300T298-Q300 PolarHBondContact O-N 3.4Å
299D71.3Confident69.6Low95 Ų95118.5 Ų118.551%0.50865%0.645SS.*  trans-76.5105.2170.9-72.1-6.2000107.1R281 T301R281-D299 IonicContact CZ-OD2 3.7Å; R281-D299 IonicContact NH1-OD1 3.68Å; R281-D299 PolarHBondContact NH1-OD1 2.88Å; R281-D299 IonicContact NH1-OD2 3.87Å; R281-D299 PolarHBondContact NH1-OD2 2.91Å; R281-D299 IonicContact NH2-OD2 3.77Å; R281-D299 PolarHBondContact NH2-OD2 2.93Å; D299-T301 PolarHBondContact O-N 2.83Å
300Q69.2Low69.8Low183 Ų183122.1 Ų122.186%0.85566%0.656SS**  trans-79.6117.1174.7-67.6-172.43.500109.3T298T298-Q300 PolarHBondContact O-N 3.4Å
301T72.5Confident70Confident121 Ų121118.5 Ų118.574%0.74264%0.644SS**  trans-80.6121.2167.250.20000108.8D299 V303D299-T301 PolarHBondContact O-N 2.83Å; T301-V303 PolarHBondContact O-N 3.12Å; T301-V303 VanDerWaalsContact O-N 3.08Å
302A68.9Low70.3Confident105 Ų105111.5 Ų111.587%0.86862%0.619SS**  trans-67108.5171.700000108.6
303V76.6Confident70.6Confident99 Ų99106.6 Ų106.660%0.661%0.611SS**  trans-82.4125.4166.9-1790000106.5T301 M305T301-V303 PolarHBondContact O-N 3.12Å; T301-V303 VanDerWaalsContact O-N 3.08Å; V303-M305 HydrophobicContact CG1-SD 4.43Å; V303-M305 PolarHBondContact O-N 2.85Å
304E68.3Low70.6Confident173 Ų173100.7 Ų100.781%0.80859%0.585SS**  trans-64.7104.4174.2-70.5-177.916200108.9T306E304-T306 VanDerWaalsContact C-N 3.26Å; E304-T306 PolarHBondContact O-N 3.41Å
305M64.2Low70.6Confident130 Ų130100.2 Ų100.264%0.6458%0.577SS**  trans-89.623.8-179-65.2-69.5-157.600112.5V303 D307 V308V303-M305 HydrophobicContact CG1-SD 4.43Å; V303-M305 PolarHBondContact O-N 2.85Å; M305-D307 VanDerWaalsContact C-N 3.32Å; M305-D307 PolarHBondContact O-N 3.05Å; M305-V308 HydrophobicContact CB-CG2 4.26Å; M305-V308 HydrophobicContact SD-CB 4.4Å; M305-V308 HydrophobicContact SD-CG2 3.59Å; M305-V308 VanDerWaalsContact SD-CG2 3.59Å
306T68.1Low70.5Confident102 Ų102104 Ų10463%0.62660%0.596SS**Hα-helixtrans-65.5-37.7-176.949.30000111.9E304E304-T306 VanDerWaalsContact C-N 3.26Å; E304-T306 PolarHBondContact O-N 3.41Å
307D62.7Low70.2Confident103 Ų103104.2 Ų104.255%0.55159%0.593SS**Hα-helixtrans-90-8.5-172.8-59-0.8000112.2M305 E310 T311M305-D307 VanDerWaalsContact C-N 3.32Å; M305-D307 PolarHBondContact O-N 3.05Å; D307-E310 PolarHBondContact O-N 3.46Å; D307-T311 WeakPolarHBondContact O-CB 3.37Å; D307-T311 VanDerWaalsContact O-CG2 3.31Å; D307-T311 WeakPolarHBondContact O-CG2 3.49Å; D307-T311 PolarHBondContact O-N 3.02Å; D307-T311 PolarHBondContact O-OG1 3.03Å
308V69.5Low70.2Confident73 Ų73105.7 Ų105.744%0.44261%0.609SS.*Hα-helixtrans-71.2-33.9-176.8-177.20000111.3M305 T311 A312M305-V308 HydrophobicContact CB-CG2 4.26Å; M305-V308 HydrophobicContact SD-CB 4.4Å; M305-V308 HydrophobicContact SD-CG2 3.59Å; M305-V308 VanDerWaalsContact SD-CG2 3.59Å; V308-T311 VanDerWaalsContact CA-OG1 3.3Å; V308-T311 WeakPolarHBondContact CA-OG1 3.47Å; V308-T311 PolarHBondContact O-OG1 3.11Å; V308-A312 WeakPolarHBondContact O-CB 3.5Å; V308-A312 PolarHBondContact O-N 2.88Å
309G68.6Low69.5Low45 Ų45104.4 Ų104.446%0.46461%0.609SS.*Hα-helixtrans-67.8-41.8174.700000113.1S313G309-S313 WeakPolarHBondContact O-CB 3.37Å; G309-S313 PolarHBondContact O-N 2.84Å; G309-S313 PolarHBondContact O-OG 2.92Å
310E71Confident69.1Low149 Ų149108.8 Ų108.870%0.69663%0.626SS**Hα-helixtrans-72.9-42.8179.5-62.3-171.2172.800111.5D307 S313 S314D307-E310 PolarHBondContact O-N 3.46Å; E310-S313 PolarHBondContact O-N 3.17Å; E310-S314 WeakPolarHBondContact O-CB 3.41Å; E310-S314 PolarHBondContact O-N 3.01Å; E310-S314 PolarHBondContact O-OG 3.06Å
311T69.4Low68.8Low69 Ų69104 Ų10442%0.42362%0.618SS.*Hα-helixtrans-64-43.9173.551.30000111.8D307 V308 S313 S314 I315D307-T311 WeakPolarHBondContact O-CB 3.37Å; D307-T311 VanDerWaalsContact O-CG2 3.31Å; D307-T311 WeakPolarHBondContact O-CG2 3.49Å; D307-T311 PolarHBondContact O-N 3.02Å; D307-T311 PolarHBondContact O-OG1 3.03Å; V308-T311 VanDerWaalsContact CA-OG1 3.3Å; V308-T311 WeakPolarHBondContact CA-OG1 3.47Å; V308-T311 PolarHBondContact O-OG1 3.11Å; T311-S313 VanDerWaalsContact C-N 3.32Å; T311-S313 PolarHBondContact O-N 3.48Å; T311-S314 WeakPolarHBondContact CA-OG 3.48Å; T311-S314 PolarHBondContact O-N 2.83Å; T311-S314 PolarHBondContact O-OG 2.87Å; T311-I315 WeakPolarHBondContact O-CD1 3.38Å; T311-I315 VanDerWaalsContact O-CG1 3.26Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å; T311-I315 PolarHBondContact O-N 2.87Å
312A67.1Low68.1Low48 Ų48103.7 Ų103.740%0.39762%0.618SS.*Hα-helixtrans-60-41.7173.600000112.2V308 I315 V316V308-A312 WeakPolarHBondContact O-CB 3.5Å; V308-A312 PolarHBondContact O-N 2.88Å; A312-I315 PolarHBondContact O-N 2.82Å; A312-V316 VanDerWaalsContact O-CG2 3.28Å; A312-V316 WeakPolarHBondContact O-CG2 3.32Å; A312-V316 PolarHBondContact O-N 2.64Å
313S69.9Low67.3Low65 Ų65104 Ų10446%0.45561%0.611SS.*Hα-helixtrans-65.9-38.5177.3-58.40000112.1G309 E310 T311 V316 Q317G309-S313 WeakPolarHBondContact O-CB 3.37Å; G309-S313 PolarHBondContact O-N 2.84Å; G309-S313 PolarHBondContact O-OG 2.92Å; E310-S313 PolarHBondContact O-N 3.17Å; T311-S313 VanDerWaalsContact C-N 3.32Å; T311-S313 PolarHBondContact O-N 3.48Å; S313-V316 PolarHBondContact O-N 3.12Å; S313-Q317 WeakPolarHBondContact O-CB 3.28Å; S313-Q317 VanDerWaalsContact O-CG 3.28Å; S313-Q317 WeakPolarHBondContact O-CG 3.32Å; S313-Q317 PolarHBondContact O-N 3Å
314S74.5Confident66.2Low55 Ų55108.2 Ų108.239%0.38562%0.624SS.*Hα-helixtrans-66.7-37.9175.974.20000112.3E310 T311 Q317 T318E310-S314 WeakPolarHBondContact O-CB 3.41Å; E310-S314 PolarHBondContact O-N 3.01Å; E310-S314 PolarHBondContact O-OG 3.06Å; T311-S314 WeakPolarHBondContact CA-OG 3.48Å; T311-S314 PolarHBondContact O-N 2.83Å; T311-S314 PolarHBondContact O-OG 2.87Å; S314-Q317 PolarHBondContact O-N 2.95Å; S314-T318 VanDerWaalsContact O-CB 3.32Å; S314-T318 WeakPolarHBondContact O-CB 3.48Å; S314-T318 PolarHBondContact O-N 2.77Å; S314-T318 PolarHBondContact O-OG1 3.48Å
315I74.9Confident65.2Low114 Ų114105.8 Ų105.859%0.58562%0.621SS**Hα-helixtrans-68.8-42176.1-66.5163.7000110.9T311 A312 Q317 T318 A319T311-I315 WeakPolarHBondContact O-CD1 3.38Å; T311-I315 VanDerWaalsContact O-CG1 3.26Å; T311-I315 WeakPolarHBondContact O-CG1 3.49Å; T311-I315 PolarHBondContact O-N 2.87Å; A312-I315 PolarHBondContact O-N 2.82Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.08Å; I315-T318 PolarHBondContact O-N 3.15Å; I315-A319 VanDerWaalsContact O-CB 3.32Å; I315-A319 WeakPolarHBondContact O-CB 2.98Å; I315-A319 PolarHBondContact O-N 3.18Å
316V71.4Confident64.6Low112 Ų112105.8 Ų105.868%0.67963%0.628SS**Hα-helixtrans-65.5-34.6176172.50000111.8A312 S313A312-V316 VanDerWaalsContact O-CG2 3.28Å; A312-V316 WeakPolarHBondContact O-CG2 3.32Å; A312-V316 PolarHBondContact O-N 2.64Å; S313-V316 PolarHBondContact O-N 3.12Å
317Q68.6Low63.6Low167 Ų167106.7 Ų106.778%0.7864%0.636SS**Hα-helixtrans-75.6-30.1175.3-73.4176.113.600113.1S313 S314 I315S313-Q317 WeakPolarHBondContact O-CB 3.28Å; S313-Q317 VanDerWaalsContact O-CG 3.28Å; S313-Q317 WeakPolarHBondContact O-CG 3.32Å; S313-Q317 PolarHBondContact O-N 3Å; S314-Q317 PolarHBondContact O-N 2.95Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.08Å
318T72.1Confident62.8Low119 Ų119106.7 Ų106.773%0.7364%0.644SS**Hα-helixtrans-81.3-23.4177.1-52.60000111.8S314 I315 E320S314-T318 VanDerWaalsContact O-CB 3.32Å; S314-T318 WeakPolarHBondContact O-CB 3.48Å; S314-T318 PolarHBondContact O-N 2.77Å; S314-T318 PolarHBondContact O-OG1 3.48Å; I315-T318 PolarHBondContact O-N 3.15Å; T318-E320 PolarHBondContact O-N 2.94Å; T318-E320 VanDerWaalsContact O-N 3.17Å
319A61.5Low61.7Low66 Ų66109.3 Ų109.355%0.54566%0.662SS.*SBendtrans-72.1105.7174.600000110.4I315I315-A319 VanDerWaalsContact O-CB 3.32Å; I315-A319 WeakPolarHBondContact O-CB 2.98Å; I315-A319 PolarHBondContact O-N 3.18Å
320E62.8Low60.8Low187 Ų187112.4 Ų112.487%0.87468%0.677SS**PPolyproline II helixtrans-70.8129.9173.8-155.1169.1-16500109.7T318T318-E320 PolarHBondContact O-N 2.94Å; T318-E320 VanDerWaalsContact O-N 3.17Å
321A61.1Low59.8Low82 Ų82111.5 Ų111.568%0.67868%0.681SS**PPolyproline II helixtrans-61134179.100000109.9
322P58.4Low58.8Low115 Ų115113.8 Ų113.875%0.74770%0.697SS**PPolyproline II helixtrans-59.2134.4177.123.2-31.3000109.2Q324P322-Q324 PolarHBondContact O-N 2.81Å
323P51.6Low58.3Low111 Ų111117.4 Ų117.472%0.72171%0.714SS**PPolyproline II helixtrans-60.6128.1-176.322.6-31.8000110.1T325P323-T325 PolarHBondContact O-N 3.28Å
324Q54.5Low57.1Low188 Ų188120.5 Ų120.588%0.87973%0.733SS**  trans-69.376.3171.4-72.8-174.3-5.200110P322 V326P322-Q324 PolarHBondContact O-N 2.81Å; Q324-V326 PolarHBondContact O-N 2.76Å
325T47.8Very low56.2Low122 Ų122121.6 Ų121.675%0.74875%0.752SS**  trans-80.593.9158.749.50000107.5P323 P327P323-T325 PolarHBondContact O-N 3.28Å; T325-P327 WeakPolarHBondContact O-CD 3.48Å
326V50.4Low54.9Low130 Ų130122.8 Ų122.879%0.78876%0.764SS**  trans-75110.8163.1-94.20000108.1Q324 S328Q324-V326 PolarHBondContact O-N 2.76Å; V326-S328 PolarHBondContact O-N 3.03Å
327P47.8Very low53.2Low121 Ų121121.1 Ų121.179%0.78677%0.77SS**  trans-69.8123.916727.3-30.5000108.7T325T325-P327 WeakPolarHBondContact O-CD 3.48Å
328S45.2Very low52Low102 Ų102122.5 Ų122.571%0.71378%0.777SS**  trans-56.2140.5168.951.10000110.7V326 S330V326-S328 PolarHBondContact O-N 3.03Å; S328-S330 PolarHBondContact O-N 3.03Å; S328-S330 VanDerWaalsContact O-N 3.11Å
329P47.7Very low50.5Low129 Ų129123.7 Ų123.784%0.83878%0.783SS**  trans-69.9111-177.527.4-33.2000111.1
330S48.1Very low49.4Very low110 Ų110124 Ų12477%0.76979%0.793SS**PPolyproline II helixtrans-84.3118.4164.855.60000109.1S328 P332S328-S330 PolarHBondContact O-N 3.03Å; S328-S330 VanDerWaalsContact O-N 3.11Å; S330-P332 WeakPolarHBondContact O-CD 3.27Å
331V51.1Low48.4Very low130 Ų130123.8 Ų123.879%0.78879%0.792SS**PPolyproline II helixtrans-77.6118.2174.4-178.80000108.7V333V331-V333 PolarHBondContact O-N 2.89Å
332P47.9Very low47.1Very low117 Ų117125.7 Ų125.776%0.7680%0.795SS**PPolyproline II helixtrans-76.6123.2172.8-0.216.6000109.4S330S330-P332 WeakPolarHBondContact O-CD 3.27Å
333V57.2Low46.1Very low123 Ų123128.2 Ų128.275%0.74580%0.801SS**PPolyproline II helixtrans-75.4139.1165.9-177.50000107.7V331 G335V331-V333 PolarHBondContact O-N 2.89Å; V333-G335 PolarHBondContact O-N 2.94Å; V333-G335 VanDerWaalsContact O-N 3.14Å
334P44.3Very low45.4Very low131 Ų131134 Ų13485%0.85181%0.809SS**THydrogen-bonded Turntrans-64.6118.8-174.6-16.328.9000110.9
335G56.9Low44.5Very low77 Ų77132.6 Ų132.679%0.79481%0.808SS**THydrogen-bonded Turntrans124.29.3159.100000119.1V333V333-G335 PolarHBondContact O-N 2.94Å; V333-G335 VanDerWaalsContact O-N 3.14Å
336V46.2Very low44.3Very low139 Ų139131.5 Ų131.584%0.84281%0.805SS**  trans-141.3112169-171.80000110.6
337G36.8Very low43.4Very low78 Ų78137 Ų13780%0.80481%0.811SS**  trans-76.5138.2172.300000111.2
338Q43.5Very low42.7Very low195 Ų195134.8 Ų134.891%0.91181%0.811SS**  trans-121.2109.7164.3-160.2171.23.800108.4
339V38.9Very low42Very low144 Ų144136.9 Ų136.987%0.87381%0.814SS**  trans-74118.7172.2175.80000107.3
340G40Very low41.3Very low73 Ų73140.4 Ų140.475%0.75382%0.819SS**  trans-116.7122.2173.400000109.7
341E40.4Very low40.7Very low183 Ų183142.1 Ų142.186%0.85582%0.815SS**  trans-66.8135.8-170.6-76.3170.4134.500115.1
342V35.5Very low39.7Very low122 Ų122145.5 Ų145.574%0.73982%0.822SS**  trans52.391143.5-166.80000117.3
343L36.3Very low38.7Very low167 Ų167148 Ų14887%0.87482%0.824SS**  trans-121.8119.7138.9-136.781.6000107.4N345L343-N345 PolarHBondContact O-N 3.16Å
344R36.2Very low37.6Very low232 Ų232150.9 Ų150.988%0.87583%0.829SS**  trans-62125179.6-80.6176.3171.7168.3-3.9110S346R344-S346 PolarHBondContact O-N 2.9Å
345N37.3Very low36.8Very low160 Ų160153.7 Ų153.786%0.85683%0.831SS**  trans-68.1121.6167.4-63.7-10.3000108.6L343L343-N345 PolarHBondContact O-N 3.16Å
346S43.3Very low35.6Very low98 Ų98159.1 Ų159.169%0.68584%0.835SS**  trans-117.446175.966.60000110.8R344R344-S346 PolarHBondContact O-N 2.9Å
347W31.5Very low34.9Very low245 Ų245161.5 Ų161.593%0.92884%0.837SS**SBendtrans-151.9111.2170.9-72.489000108.2
348G31.5Very low34.5Very low76 Ų76166.4 Ų166.478%0.78484%0.839SS**  trans112.290.2169.900000114
349L32.3Very low33.9Very low146 Ų146164.7 Ų164.776%0.76484%0.836SS**  -173102.5120.1-92.7173.9000107.7E351L349-E351 HydrophobicContact CD2-CB 4.34Å; L349-E351 WeakPolarHBondContact CD2-O 3.45Å
350E32.2Very low33.3Very low203 Ų203161.3 Ų161.395%0.94983%0.83SS**  -125.177.1117.3-82-171-178.400106.1
351E34.5Very low32.7Very low145 Ų145161.3 Ų161.368%0.67883%0.83SS**  trans-130.897.3149.4-78.3-175.1168.200105.7L349 E353L349-E351 HydrophobicContact CD2-CB 4.34Å; L349-E351 WeakPolarHBondContact CD2-O 3.45Å; E351-E353 PolarHBondContact O-N 3.22Å
352E30.4Very low32Very low202 Ų202162.1 Ų162.194%0.94483%0.834SS**  trans-70.489.8155.3-72.2-17616400106.4
353E28.2Very low31.6Very low170 Ų170159.8 Ų159.879%0.79484%0.835SS**  trans-92.1122.9148.8-82.5-168.9164.800108.1E351E351-E353 PolarHBondContact O-N 3.22Å
354E33Very low31.1Very low182 Ų182157.8 Ų157.885%0.8584%0.835SS**  trans-35.7131155.8-59168.5159.200112.1
355E27.1Very low30.6Very low191 Ų191150.2 Ų150.289%0.89383%0.829SS**  trans-138.8129133.9-76.8-162.6158.900109.1
356E32.9Very low30.1Very low191 Ų191146.4 Ų146.489%0.89383%0.828SS**  trans-57.3130.3163.3-58.6178.2149.700109.2
357E30.6Very low29.3Very low189 Ų189149.1 Ų149.188%0.88383%0.834SS**  trans-104.2109.9153.7-81.6-148.1171.800109.9
358E30Very low29.1Very low180 Ų180141.7 Ų141.784%0.84182%0.82SS**  trans19.5128.4130.8-70.4-165.4160.200120.5
359D29.1Very low29Very low160 Ų160144.7 Ų144.786%0.85682%0.823SS**  101121.9127.4-128.70.7000120.5
360G26.9Very low28.9Very low72 Ų72145.9 Ų145.974%0.74282%0.824SS**  93.596.2124.200000118
361G26.7Very low28.6Very low73 Ų73145 Ų14575%0.75382%0.82SS**  trans129.584.5134.800000117.5
362E27.3Very low28.2Very low200 Ų200144.6 Ų144.694%0.93582%0.822SS**  trans54.5120.6136.2-60-173.9164.400120.5
363G26.3Very low28Very low74 Ų74141.9 Ų141.976%0.76382%0.819SS**  trans144.2100.1132.200000117.1
364S26.4Very low27.8Very low124 Ų124142.2 Ų142.287%0.86782%0.818SS**  trans68.3102.7138.7177.60000119.3
365G25.7Very low27.4Very low74 Ų74140.7 Ų140.776%0.76381%0.813SS**  92.9119.3110.700000118.1
366G25.3Very low27.2Very low79 Ų79138 Ų13881%0.81481%0.805SS**  91.4113.2129.600000117.9
367D28.5Very low26.8Very low155 Ų155135.4 Ų135.483%0.82980%0.801SS**  106.3135.2124.4-127.4-13000119.4
368S26.4Very low26.6Very low90 Ų90134.7 Ų134.763%0.62980%0.798SS**  trans-54.4160.216753.90000113.2
369V29.8Very low26.4Very low138 Ų138135.4 Ų135.484%0.83680%0.802SS**  174.2133.9129.2157.70000110.3
370E29.2Very low26.1Very low171 Ų171135.9 Ų135.980%0.79980%0.798SS**  trans-70.2151.7168.8-56.3172.3141.600112.3
371E26.6Very low26Very low185 Ų185141.7 Ų141.786%0.86481%0.806SS**  trans-171.4109.3138.2-112.2178.9166.600108.9
372L26.8Very low25.8Very low137 Ų137146.5 Ų146.572%0.71781%0.809SS**  57.7105.378.9-93.4157.5000116.2
373T26.1Very low25.7Very low144 Ų144143.8 Ų143.888%0.88381%0.806SS**  trans-164.9105.5140.534.40000106.9
374K24.1Very low25.6Very low178 Ų178150 Ų15077%0.77481%0.812SS**  69.7123.966.3-116.8-170.7-171.2-179.30116.9
375M23.9Very low25.5Very low149 Ų149149 Ų14973%0.73481%0.805SS**  trans84.7109152.7-55.4-173.284.200116.3
376D22.9Very low25.5Very low135 Ų135157.5 Ų157.572%0.72281%0.814SS**  101.312872.4-81.9-37.8000110.6
377V25.2Very low25.5Very low136 Ų136159.2 Ų159.282%0.82481%0.809SS**  trans142.3122.4133.1176.60000111.7
378E24.7Very low25.6Very low174 Ų174158.4 Ų158.481%0.81381%0.809SS**  trans-45.9145.8172.2-59.1165.5146.100114.3
379Q25.6Very low25.5Very low196 Ų196161.1 Ų161.192%0.91682%0.816SS**  -159.5129125.8-108.5167.239.200112.1
380H24.1Very low25.4Very low169 Ų169160.6 Ų160.678%0.78281%0.813SS**  trans-44.8139.6170.1-86.8-95.9000114.3
381Q24.7Very low25.5Very low195 Ų195158.3 Ų158.391%0.91181%0.811SS**  trans-141.5109.6135.9-116.41743.300109.9
382E22.2Very low25.6Very low174 Ų174157.8 Ų157.881%0.81381%0.808SS**  trans-63.5131.5170-68176.6136.100110.7
383V26Very low25.7Very low142 Ų142158.5 Ų158.586%0.86181%0.811SS**  trans-132.3116.1153.3-178.90000109.3
384K23.8Very low25.7Very low205 Ų205159.4 Ų159.489%0.89181%0.81SS**  trans-46119.3-176.1-70.9164.4172.7172.80115
385S24.4Very low26.1Very low103 Ų103158.6 Ų158.672%0.7281%0.814SS**  trans-80.9121.7158.955.40000110.2T387S385-T387 PolarHBondContact O-N 3.35Å
386R24.9Very low26.3Very low253 Ų253156.7 Ų156.796%0.95582%0.815SS**  trans-82.593171.3-130.1175.6175.1156.5-4.5107.8
387T25.1Very low26.6Very low115 Ų115156.8 Ų156.871%0.70682%0.816SS**  trans-82.5128.7170.444.20000109.2S385S385-T387 PolarHBondContact O-N 3.35Å
388V30.2Very low27Very low138 Ų138159 Ų15984%0.83682%0.817SS**  trans-88.4130.4169.3175.90000107.6V390V388-V390 PolarHBondContact O-N 3.36Å; V388-V390 VanDerWaalsContact O-N 3.16Å
389D25.4Very low27.3Very low146 Ų146160 Ų16078%0.78182%0.822SS**  trans-60.5109.3-166.2-61.3-47.2000113.7
390V28.7Very low27.7Very low128 Ų128159.8 Ų159.878%0.77682%0.821SS**  trans-79.7116.2153.7175.40000105.9V388 E392V388-V390 PolarHBondContact O-N 3.36Å; V388-V390 VanDerWaalsContact O-N 3.16Å; V390-E392 VanDerWaalsContact C-N 3.3Å; V390-E392 PolarHBondContact O-N 3.45Å
391V29.9Very low28Very low123 Ų123160.5 Ų160.575%0.74582%0.824SS**  trans-74.188178.6-175.50000109.3I393V391-I393 HydrophobicContact CG1-CD1 4.26Å; V391-I393 HydrophobicContact CG1-CG1 4.2Å
392E28.9Very low28.3Very low173 Ų173160.7 Ų160.781%0.80883%0.825SS**  trans-98.9121.5148.5-71.7-172.5164.300106.9V390V390-E392 VanDerWaalsContact C-N 3.3Å; V390-E392 PolarHBondContact O-N 3.45Å
393I29.4Very low28.7Very low152 Ų152157.7 Ų157.778%0.77982%0.818SS**  trans-125.7113.9166.5-63.3178.7000107.9V391V391-I393 HydrophobicContact CG1-CD1 4.26Å; V391-I393 HydrophobicContact CG1-CG1 4.2Å
394L26.6Very low29.1Very low163 Ų163157 Ų15785%0.85381%0.814SS**  trans-61.1141.8160.8-76142.3000110.3S396L394-S396 PolarHBondContact O-N 2.96Å
395D32.2Very low29.6Very low162 Ų162152.6 Ų152.687%0.86680%0.799SS**  trans-49.1127.3169.9-70.4-39.5000112.2
396S27.7Very low29.9Very low108 Ų108155.2 Ų155.276%0.75580%0.804SS**  trans-177.4138.4144.8-110.20000112.9L394L394-S396 PolarHBondContact O-N 2.96Å
397D29.1Very low30.4Very low137 Ų137153 Ų15373%0.73380%0.797SS**  trans87.491.3162.9-50.5-5.9000115.8
398E33.8Very low30.8Very low183 Ų183153 Ų15386%0.85580%0.8SS**  68.699.379.7-74.7-169.4160.100113.7
399E30.2Very low30.9Very low196 Ų196154.9 Ų154.992%0.91680%0.799SS**  trans-148.8107.1132.9-75.5-154.2166.100109.6
400E33.7Very low31Very low190 Ų190154.6 Ų154.689%0.88880%0.803SS**  trans35.6100.1142.5-53.7-171.9170.100121.1
401E31Very low31.1Very low185 Ų185154.5 Ų154.586%0.86480%0.803SS**  trans-131.2118.3138.5-75.1-167.7167.900109.8V403E401-V403 PolarHBondContact O-N 3.07Å; E401-V403 VanDerWaalsContact O-N 3.12Å
402E30.3Very low31.2Very low199 Ų199158.2 Ų158.293%0.9381%0.809SS**  trans-58.4109.7173.8-77.9-177.1140.500111
403V32.2Very low31.4Very low110 Ų110159.8 Ų159.867%0.66781%0.813SS**  trans-110.6101.7164.1-169.30000108.8E401 I405E401-V403 PolarHBondContact O-N 3.07Å; E401-V403 VanDerWaalsContact O-N 3.12Å; V403-I405 HydrophobicContact CG1-CD1 4.09Å; V403-I405 HydrophobicContact CG1-CG1 3.73Å; V403-I405 PolarHBondContact O-N 3.08Å
404V34.2Very low31.6Very low127 Ų127158.4 Ų158.477%0.7781%0.814SS**  trans-69.998.6171.5179.30000108.9
405I33Very low31.7Very low114 Ų114160.4 Ų160.459%0.58582%0.816SS**  trans-104.4110.8169.2-55.6-179.5000108.3V403 Y407V403-I405 HydrophobicContact CG1-CD1 4.09Å; V403-I405 HydrophobicContact CG1-CG1 3.73Å; V403-I405 PolarHBondContact O-N 3.08Å; I405-Y407 PolarHBondContact O-N 3.2Å
406L32.4Very low31.6Very low157 Ų157160.1 Ų160.182%0.82282%0.815SS**  trans-71.2114.7172.7-69.5165.5000109.7
407Y34.3Very low31.7Very low206 Ų206162 Ų16281%0.80882%0.822SS**PPolyproline II helixtrans-78.9131.8168-66.2-81.9000110.4I405I405-Y407 PolarHBondContact O-N 3.2Å
408P33.5Very low31.7Very low116 Ų116160.1 Ų160.175%0.75383%0.825SS**PPolyproline II helixtrans-75.9123.2165.328-29.2000110.2T410P408-T410 PolarHBondContact O-N 3.28Å
409E31.9Very low31.6Very low178 Ų178156.6 Ų156.683%0.83282%0.821SS**PPolyproline II helixtrans-57.7127175.4-68.3-170156.600111.8T411E409-T411 PolarHBondContact O-N 3Å
410T27.8Very low31.5Very low139 Ų139152.1 Ų152.185%0.85381%0.811SS**  trans-81.499.3168.744.30000109.2P408 K412P408-T410 PolarHBondContact O-N 3.28Å; T410-K412 PolarHBondContact O-N 3.11Å
411T31.6Very low31.4Very low127 Ų127148.8 Ų148.878%0.77981%0.808SS**PPolyproline II helixtrans-73.1120.217350.20000111.1E409E409-T411 PolarHBondContact O-N 3Å
412K31.9Very low31.3Very low200 Ų200143.4 Ų143.487%0.8780%0.803SS**PPolyproline II helixtrans-52.7138.1173-67.4170.4176.9172.80112.3T410T410-K412 PolarHBondContact O-N 3.11Å
413K31.9Very low31.5Very low206 Ų206141.8 Ų141.890%0.89680%0.795SS**PPolyproline II helixtrans-65140.8166.2-69.8177.6177175.50111
414P33.7Very low31.5Very low124 Ų124145.6 Ų145.681%0.80580%0.803SS**  trans-105.3136.1155.932.5-22.6000111.6
415K29.9Very low31.3Very low204 Ų204143 Ų14389%0.88780%0.801SS**  trans-90.4130.2165.1-88-179.5174177.80109.5
416N30.4Very low31.3Very low157 Ų157142.9 Ų142.984%0.8482%0.818SS**  trans17.8127.1151-63.9-6.5000120.8
417T28.8Very low31.3Very low148 Ų148138.9 Ų138.991%0.90881%0.814SS**  -144.9141126.840.10000110.1
418A30Very low31.3Very low96 Ų96135.3 Ų135.379%0.79381%0.814SS**  trans-92.1147.8179.800000111.1
419S30.2Very low31.5Very low110 Ų110134.8 Ų134.877%0.76981%0.813SS**  trans176.4130.3133.842.10000113.9
420S29.6Very low31.8Very low101 Ų101137.2 Ų137.271%0.70681%0.814SS**  trans57120.3138.769.10000123.1
421S31Very low32.3Very low120 Ų120139.9 Ų139.984%0.83981%0.814SS**  73.4130.5124.468.30000121
422G29.8Very low32.7Very low72 Ų72142.7 Ų142.774%0.74282%0.818SS**  trans12889.3134.100000117.7
423Q32.4Very low32.9Very low165 Ų165142.7 Ų142.777%0.77182%0.818SS**  trans45.1126.6132.9-79.8-173.7-16.900123.1
424K32.2Very low33.5Very low191 Ų191142.2 Ų142.283%0.8382%0.816SS**  80.9137.5128.1-73.5-179.5177.3179.70121.1
425G31.3Very low34.2Very low71 Ų71149.7 Ų149.773%0.73284%0.836SS**  trans117.587.3150.600000113.3
426A32.1Very low34.4Very low113 Ų113147 Ų14793%0.93483%0.834SS**  65.7121.288.200000114.3
427G33.7Very low34.7Very low72 Ų72146.4 Ų146.474%0.74283%0.833SS**  trans158.565.8166.400000117.5
428T34.6Very low35Very low131 Ų131146.3 Ų146.380%0.80483%0.829SS**  trans10.6131.2144.347.50000121.4
429S36Very low35.3Very low105 Ų105149.3 Ų149.373%0.73483%0.831SS**  120.6131.2110.661.80000121.7
430R39.6Very low35.6Very low229 Ų229151.8 Ų151.886%0.86484%0.835SS**  trans79.5108.6149.7-74.7172.6175.7-177.2-1.1118.4
431K37.6Very low36Very low196 Ų196155.1 Ų155.185%0.85284%0.844SS**  72.811078.7-97.3-172.2175.5176.50114
432Q39.3Very low36.3Very low186 Ų186157.6 Ų157.687%0.86984%0.844SS**  165109.6119.7-92.1177.6-1300108.9
433K37.8Very low36.8Very low199 Ų199164.2 Ų164.287%0.86585%0.852SS**  42.8107.894.9-92.1-169.8177-177.20114.6
434K43.5Very low37.2Very low197 Ų197164.2 Ų164.286%0.85786%0.858SS**  -179.6132.3101.7-104.1178.4177.5176.60111.6
435K48.9Very low37.7Very low280 Ų280161.7 Ų161.7100%1.21786%0.861SS**  trans560152.9-76.9-170.5170.2-172.70119.2

Retrieved 435 of 435 residues in 154.9 ms (Link to these results)

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