Q1WMM8_SCHMA Loading...

DIF_9

AlphaFold DB , UniProt , Accession Q1WMM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M72.9Confident87.2Confident188 Ų188116.1 Ų116.193%0.92656%0.56SS**  0-56.60-150.3171.9-151.900112Y3 T4 I5M1-Y3 PolarHBondContact O-N 3.06Å; M1-T4 PolarHBondContact O-N 3.32Å; M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.13Å
2F79.5Confident87.8Confident187 Ų187118.8 Ų118.882%0.8257%0.568SS**Hα-helixtrans-53.6-46.7177.3-71.9-76.1000114.3T4 I5 Q6F2-T4 VanDerWaalsContact C-N 3.35Å; F2-T4 PolarHBondContact O-N 3.01Å; F2-I5 PolarHBondContact O-N 3.04Å; F2-Q6 WeakPolarHBondContact O-CB 3.49Å; F2-Q6 PolarHBondContact O-N 3.04Å
3Y81.4Confident88.4Confident178 Ų178117.5 Ų117.570%0.69857%0.565SS**Hα-helixtrans-58.6-44.6177.4-172.6-99.5000112.4M1 I5 Q6 V7M1-Y3 PolarHBondContact O-N 3.06Å; Y3-I5 PolarHBondContact O-N 3.06Å; Y3-Q6 PolarHBondContact O-N 2.79Å; Y3-V7 HydrophobicContact CD1-CG2 4.1Å; Y3-V7 HydrophobicContact CE1-CG2 3.8Å; Y3-V7 WeakPolarHBondContact O-CB 3.27Å; Y3-V7 VanDerWaalsContact O-CG2 3.27Å; Y3-V7 WeakPolarHBondContact O-CG2 3.45Å; Y3-V7 PolarHBondContact O-N 2.65Å
4T84.4Confident89Confident82 Ų82114.5 Ų114.550%0.50356%0.557SS.*Hα-helixtrans-63.5-41.4177.4-41.80000111.9M1 F2 N8M1-T4 PolarHBondContact O-N 3.32Å; F2-T4 VanDerWaalsContact C-N 3.35Å; F2-T4 PolarHBondContact O-N 3.01Å; T4-N8 WeakPolarHBondContact O-CB 3.26Å; T4-N8 PolarHBondContact O-N 3.22Å; T4-N8 PolarHBondContact O-ND2 2.82Å
5I86.3Confident89.4Confident103 Ų103113.5 Ų113.553%0.52856%0.555SS.*Hα-helixtrans-63.9-45.2176.5-66.3167.5000110.3M1 F2 Y3 N8 F9M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 WeakPolarHBondContact O-CG1 3.49Å; M1-I5 PolarHBondContact O-N 3.13Å; F2-I5 PolarHBondContact O-N 3.04Å; Y3-I5 PolarHBondContact O-N 3.06Å; I5-N8 PolarHBondContact O-N 3.43Å; I5-F9 WeakPolarHBondContact O-CB 3.4Å; I5-F9 PolarHBondContact O-N 3.36Å
6Q88.7Confident89.7Confident119 Ų119108.3 Ų108.356%0.55654%0.54SS*.Hα-helixtrans-63.6-43.7178.8-174.2178.7-7.700112F2 Y3 F9 I10F2-Q6 WeakPolarHBondContact O-CB 3.49Å; F2-Q6 PolarHBondContact O-N 3.04Å; Y3-Q6 PolarHBondContact O-N 2.79Å; Q6-F9 PolarHBondContact O-N 3.04Å; Q6-I10 HydrophobicContact CG-CD1 4.11Å; Q6-I10 VanDerWaalsContact O-CG1 3.28Å; Q6-I10 WeakPolarHBondContact O-CG1 3.4Å; Q6-I10 PolarHBondContact O-N 3.22Å
7V91.5Very high90Very high53 Ų53110.7 Ų110.732%0.32154%0.542SS..Hα-helixtrans-62.1-46.6176.4170.80000111.1Y3 F9 I10 I11Y3-V7 HydrophobicContact CD1-CG2 4.1Å; Y3-V7 HydrophobicContact CE1-CG2 3.8Å; Y3-V7 WeakPolarHBondContact O-CB 3.27Å; Y3-V7 VanDerWaalsContact O-CG2 3.27Å; Y3-V7 WeakPolarHBondContact O-CG2 3.45Å; Y3-V7 PolarHBondContact O-N 2.65Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.97Å; V7-I10 PolarHBondContact O-N 3.1Å; V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 2.87Å
8N92.5Very high90.3Very high76 Ų76109.1 Ų109.141%0.40654%0.536SS..Hα-helixtrans-61.5-43.2177-76.2-42.6000111.9T4 I5 I10 I11 F12T4-N8 WeakPolarHBondContact O-CB 3.26Å; T4-N8 PolarHBondContact O-N 3.22Å; T4-N8 PolarHBondContact O-ND2 2.82Å; I5-N8 PolarHBondContact O-N 3.43Å; N8-I10 VanDerWaalsContact C-N 3.34Å; N8-I10 PolarHBondContact O-N 3.21Å; N8-I11 PolarHBondContact O-N 2.81Å; N8-F12 WeakPolarHBondContact O-CD2 3.16Å; N8-F12 PolarHBondContact O-N 3.33Å
9F93.2Very high90.4Very high127 Ų127112.4 Ų112.456%0.55754%0.543SS*.Hα-helixtrans-58.9-45.4176.4-176-108.1000111.6I5 Q6 V7 I11 F12 L13I5-F9 WeakPolarHBondContact O-CB 3.4Å; I5-F9 PolarHBondContact O-N 3.36Å; Q6-F9 PolarHBondContact O-N 3.04Å; V7-F9 VanDerWaalsContact C-N 3.35Å; V7-F9 PolarHBondContact O-N 2.97Å; F9-I11 VanDerWaalsContact C-N 3.34Å; F9-I11 PolarHBondContact O-N 3.44Å; F9-F12 PolarHBondContact O-N 3.1Å; F9-L13 HydrophobicContact CD1-CD1 3.93Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.52Å; F9-L13 HydrophobicContact CE1-CG 4.18Å; F9-L13 HydrophobicContact CZ-CD1 4.01Å; F9-L13 HydrophobicContact CZ-CD2 4.25Å; F9-L13 HydrophobicContact CZ-CG 4.29Å; F9-L13 WeakPolarHBondContact O-CG 3.27Å; F9-L13 PolarHBondContact O-N 3.22Å
10I94.2Very high90.5Very high85 Ų85113.2 Ų113.244%0.43655%0.546SS..Hα-helixtrans-60.8-43.3175.3-67.3165.6000110.9Q6 V7 N8 F12 L13 V14Q6-I10 HydrophobicContact CG-CD1 4.11Å; Q6-I10 VanDerWaalsContact O-CG1 3.28Å; Q6-I10 WeakPolarHBondContact O-CG1 3.4Å; Q6-I10 PolarHBondContact O-N 3.22Å; V7-I10 PolarHBondContact O-N 3.1Å; N8-I10 VanDerWaalsContact C-N 3.34Å; N8-I10 PolarHBondContact O-N 3.21Å; I10-F12 PolarHBondContact O-N 3.36Å; I10-L13 PolarHBondContact O-N 2.95Å; I10-V14 HydrophobicContact CG2-CG2 4.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 3.08Å
11I94.4Very high90.7Very high79 Ų79111.1 Ų111.141%0.40554%0.538SS..Hα-helixtrans-59.5-45.8177.2-69166.2000110.9V7 N8 F9 L13 V14 L15V7-I11 HydrophobicContact CG1-CD1 3.9Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 2.87Å; N8-I11 PolarHBondContact O-N 2.81Å; F9-I11 VanDerWaalsContact C-N 3.34Å; F9-I11 PolarHBondContact O-N 3.44Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 2.93Å; I11-V14 PolarHBondContact O-N 2.78Å; I11-L15 HydrophobicContact CG2-CD1 3.89Å; I11-L15 HydrophobicContact CG2-CG 4.25Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.88Å
12F95Very high91.6Very high149 Ų149107.3 Ų107.365%0.65452%0.52SS*.Hα-helixtrans-60.7-41.9177-78.2-67.4000112.4N8 F9 I10 L15 G16N8-F12 WeakPolarHBondContact O-CD2 3.16Å; N8-F12 PolarHBondContact O-N 3.33Å; F9-F12 PolarHBondContact O-N 3.1Å; I10-F12 PolarHBondContact O-N 3.36Å; F12-L15 PolarHBondContact O-N 2.76Å; F12-G16 PolarHBondContact O-N 3.41Å
13L95.5Very high92.2Very high101 Ų101100.3 Ų100.353%0.52950%0.497SS..Hα-helixtrans-62.5-43175.7-66.8-179.8000111.8F9 I10 I11 G16 Y17F9-L13 HydrophobicContact CD1-CD1 3.93Å; F9-L13 HydrophobicContact CD1-CG 4.44Å; F9-L13 HydrophobicContact CE1-CD1 3.52Å; F9-L13 HydrophobicContact CE1-CG 4.18Å; F9-L13 HydrophobicContact CZ-CD1 4.01Å; F9-L13 HydrophobicContact CZ-CD2 4.25Å; F9-L13 HydrophobicContact CZ-CG 4.29Å; F9-L13 WeakPolarHBondContact O-CG 3.27Å; F9-L13 PolarHBondContact O-N 3.22Å; I10-L13 PolarHBondContact O-N 2.95Å; I11-L13 VanDerWaalsContact C-N 3.34Å; I11-L13 PolarHBondContact O-N 2.93Å; L13-G16 PolarHBondContact O-N 3.49Å; L13-Y17 WeakPolarHBondContact O-CB 3.48Å; L13-Y17 PolarHBondContact O-N 3.03Å
14V96.3Very high92.8Very high76 Ų7699.4 Ų99.446%0.46149%0.494SS..Hα-helixtrans-65.3-44.2178173.10000111.3I10 I11 Y17 I18I10-V14 HydrophobicContact CG2-CG2 4.32Å; I10-V14 WeakPolarHBondContact O-CG2 3.45Å; I10-V14 PolarHBondContact O-N 3.08Å; I11-V14 PolarHBondContact O-N 2.78Å; V14-Y17 PolarHBondContact O-N 3.3Å; V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.13Å
15L94.7Very high93.2Very high99 Ų99103.1 Ų103.152%0.51850%0.498SS..Hα-helixtrans-64.7-42.3177.8-70.3177000112.1I11 F12 I18 Y19I11-L15 HydrophobicContact CG2-CD1 3.89Å; I11-L15 HydrophobicContact CG2-CG 4.25Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 WeakPolarHBondContact O-CG 3.42Å; I11-L15 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 2.76Å; L15-I18 PolarHBondContact O-N 3.3Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 3.49Å
16G95.3Very high93.5Very high31 Ų31101.6 Ų101.632%0.3249%0.486SS..Hα-helixtrans-58.1-48.3173.900000111.5F12 L13 I18 Y19 E20F12-G16 PolarHBondContact O-N 3.41Å; L13-G16 PolarHBondContact O-N 3.49Å; G16-I18 PolarHBondContact O-N 3.2Å; G16-Y19 PolarHBondContact O-N 3.34Å; G16-E20 WeakPolarHBondContact O-CG 3.36Å; G16-E20 PolarHBondContact O-N 2.99Å
17Y95.1Very high93.7Very high149 Ų149103 Ų10358%0.58449%0.487SS*.Hα-helixtrans-59.4-44.6176.4-179.9-101.5000112.6L13 V14 Y19 E20 N21L13-Y17 WeakPolarHBondContact O-CB 3.48Å; L13-Y17 PolarHBondContact O-N 3.03Å; V14-Y17 PolarHBondContact O-N 3.3Å; Y17-Y19 PolarHBondContact O-N 3.42Å; Y17-E20 PolarHBondContact O-N 3.23Å; Y17-N21 WeakPolarHBondContact CD2-ND2 3.46Å; Y17-N21 VanDerWaalsContact CE1-ND2 3.29Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.4Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.49Å; Y17-N21 WeakPolarHBondContact O-CB 3.48Å; Y17-N21 PolarHBondContact O-N 3.02Å; Y17-N21 PolarHBondContact O-ND2 3.22Å
18I93.8Very high93.9Very high82 Ų82102.7 Ų102.742%0.42149%0.486SS..Hα-helixtrans-61.8-45.6177.3-69.2166.8000110.7V14 L15 G16 N21 L22V14-I18 HydrophobicContact CG1-CD1 3.89Å; V14-I18 VanDerWaalsContact O-CG1 3.31Å; V14-I18 WeakPolarHBondContact O-CG1 3.45Å; V14-I18 PolarHBondContact O-N 3.13Å; L15-I18 PolarHBondContact O-N 3.3Å; G16-I18 PolarHBondContact O-N 3.2Å; I18-N21 PolarHBondContact O-N 3.06Å; I18-L22 HydrophobicContact CG2-CD1 3.82Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.25Å; I18-L22 PolarHBondContact O-N 3.48Å
19Y93.1Very high94Very high171 Ų171101.3 Ų101.367%0.67148%0.477SS*.Hα-helixtrans-59.4-47.7178.6175.5-97.2000111.9L15 G16 Y17 N21 L22 A23L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 PolarHBondContact O-N 3.49Å; G16-Y19 PolarHBondContact O-N 3.34Å; Y17-Y19 PolarHBondContact O-N 3.42Å; Y19-N21 PolarHBondContact O-N 2.88Å; Y19-L22 PolarHBondContact O-N 3.3Å; Y19-A23 WeakPolarHBondContact O-CB 3.47Å; Y19-A23 PolarHBondContact O-N 3.42Å
20E93.2Very high94.1Very high129 Ų12995.4 Ų95.460%0.60345%0.451SS*.Hα-helixtrans-60-44.5177.9-73.2177.7-177.200111.9G16 Y17 L22 A23 Y24G16-E20 WeakPolarHBondContact O-CG 3.36Å; G16-E20 PolarHBondContact O-N 2.99Å; Y17-E20 PolarHBondContact O-N 3.23Å; E20-L22 PolarHBondContact O-N 3.31Å; E20-A23 PolarHBondContact O-N 3.38Å; E20-Y24 VanDerWaalsContact O-CB 3.28Å; E20-Y24 WeakPolarHBondContact O-CB 3.43Å; E20-Y24 PolarHBondContact O-N 3.03Å
21N94.3Very high94.1Very high70 Ų7093.9 Ų93.937%0.37445%0.448SS..Hα-helixtrans-63.9-40.3177.4-83.5-86.4000112.5Y17 I18 Y19 R25Y17-N21 WeakPolarHBondContact CD2-ND2 3.46Å; Y17-N21 VanDerWaalsContact CE1-ND2 3.29Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.4Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.49Å; Y17-N21 WeakPolarHBondContact O-CB 3.48Å; Y17-N21 PolarHBondContact O-N 3.02Å; Y17-N21 PolarHBondContact O-ND2 3.22Å; I18-N21 PolarHBondContact O-N 3.06Å; Y19-N21 PolarHBondContact O-N 2.88Å; N21-R25 WeakPolarHBondContact O-CB 3.41Å; N21-R25 PolarHBondContact O-N 3.22Å
22L92.1Very high94.3Very high107 Ų10793.2 Ų93.256%0.5644%0.443SS*.Hα-helixtrans-67.9-43.9176.8-71.7175.8000111.6I18 Y19 E20 R25 W26I18-L22 HydrophobicContact CG2-CD1 3.82Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CB 3.36Å; I18-L22 VanDerWaalsContact O-CG 3.29Å; I18-L22 WeakPolarHBondContact O-CG 3.25Å; I18-L22 PolarHBondContact O-N 3.48Å; Y19-L22 PolarHBondContact O-N 3.3Å; E20-L22 PolarHBondContact O-N 3.31Å; L22-R25 PolarHBondContact O-N 3.05Å; L22-W26 WeakPolarHBondContact O-CB 3.24Å; L22-W26 PolarHBondContact O-N 3.24Å
23A91.9Very high94.4Very high41 Ų4186.1 Ų86.134%0.33941%0.412SS..Hα-helixtrans-62-43.3176.300000111.4Y19 E20 W26 Y27Y19-A23 WeakPolarHBondContact O-CB 3.47Å; Y19-A23 PolarHBondContact O-N 3.42Å; E20-A23 PolarHBondContact O-N 3.38Å; A23-W26 PolarHBondContact O-N 2.8Å; A23-Y27 WeakPolarHBondContact O-CB 3.33Å; A23-Y27 PolarHBondContact O-N 3.09Å
24Y93.7Very high94.6Very high158 Ų15882.7 Ų82.762%0.6239%0.394SS*.Hα-helixtrans-62.8-44.7175.6-178.9-101.5000112.2E20 W26 Y27 T28E20-Y24 VanDerWaalsContact O-CB 3.28Å; E20-Y24 WeakPolarHBondContact O-CB 3.43Å; E20-Y24 PolarHBondContact O-N 3.03Å; Y24-W26 PolarHBondContact O-N 2.87Å; Y24-Y27 PolarHBondContact O-N 3.35Å; Y24-T28 HydrophobicContact CD1-CG2 4.24Å; Y24-T28 HydrophobicContact CD2-CG2 4.42Å; Y24-T28 HydrophobicContact CE1-CG2 3.79Å; Y24-T28 HydrophobicContact CE2-CG2 3.99Å; Y24-T28 WeakPolarHBondContact O-CG2 3.22Å; Y24-T28 PolarHBondContact O-N 2.96Å; Y24-T28 PolarHBondContact O-OG1 2.8Å
25R93Very high94.7Very high160 Ų16081.9 Ų81.960%0.60440%0.395SS*.Hα-helixtrans-61.3-45.5175-175.7-176-68.6-141.2-0111.6N21 L22 Y27 T28 Q29N21-R25 WeakPolarHBondContact O-CB 3.41Å; N21-R25 PolarHBondContact O-N 3.22Å; L22-R25 PolarHBondContact O-N 3.05Å; R25-Y27 VanDerWaalsContact C-N 3.33Å; R25-Y27 PolarHBondContact O-N 3.43Å; R25-T28 WeakPolarHBondContact CA-OG1 3.19Å; R25-T28 PolarHBondContact O-N 3.25Å; R25-T28 PolarHBondContact O-OG1 3.08Å; R25-Q29 HydrophobicContact CG-CG 4.17Å; R25-Q29 WeakPolarHBondContact O-CB 3.42Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 2.84Å
26W91.6Very high94.9Very high71 Ų7179.3 Ų79.327%0.26938%0.382SS..Hα-helixtrans-59.5-45.7177.5-177.993000111.2L22 A23 Y24 N30 W63 A68 Q72L22-W26 WeakPolarHBondContact O-CB 3.24Å; L22-W26 PolarHBondContact O-N 3.24Å; A23-W26 PolarHBondContact O-N 2.8Å; Y24-W26 PolarHBondContact O-N 2.87Å; W26-N30 VanDerWaalsContact CZ2-ND2 3.29Å; W26-N30 WeakPolarHBondContact CZ2-ND2 3.47Å; W26-N30 PolarHBondContact NE1-ND2 2.82Å; W26-N30 VanDerWaalsContact O-CB 3.31Å; W26-N30 WeakPolarHBondContact O-CB 3.45Å; W26-N30 PolarHBondContact O-N 3.19Å; W26-N30 VanDerWaalsContact O-N 3.12Å; W26-N30 PolarHBondContact O-ND2 3.11Å; W26-W63 AromaticContact CH2-CZ2 3.9Å; W26-W63 HydrophobicContact CH2-CZ2 3.9Å; W26-W63 HydrophobicContact CZ2-CZ2 4.32Å; W26-A68 HydrophobicContact CH2-CB 4.24Å; W26-A68 HydrophobicContact CZ2-CB 4.13Å; W26-Q72 VanDerWaalsContact NE1-OE1 3.15Å
27Y93.1Very high95.1Very high148 Ų14877.8 Ų77.858%0.5837%0.366SS*.Hα-helixtrans-60.7-48.9177.4176.3-97.7000112.1A23 Y24 R25 N30 S31A23-Y27 WeakPolarHBondContact O-CB 3.33Å; A23-Y27 PolarHBondContact O-N 3.09Å; Y24-Y27 PolarHBondContact O-N 3.35Å; R25-Y27 VanDerWaalsContact C-N 3.33Å; R25-Y27 PolarHBondContact O-N 3.43Å; Y27-N30 PolarHBondContact O-N 3.27Å; Y27-S31 VanDerWaalsContact O-CB 3.27Å; Y27-S31 WeakPolarHBondContact O-CB 3.37Å; Y27-S31 PolarHBondContact O-N 3.4Å
28T95.3Very high95.2Very high47 Ų4771.9 Ų71.929%0.28835%0.345SS..Hα-helixtrans-64-45.6-178.249.20000112.6Y24 R25 N30 S31 E32Y24-T28 HydrophobicContact CD1-CG2 4.24Å; Y24-T28 HydrophobicContact CD2-CG2 4.42Å; Y24-T28 HydrophobicContact CE1-CG2 3.79Å; Y24-T28 HydrophobicContact CE2-CG2 3.99Å; Y24-T28 WeakPolarHBondContact O-CG2 3.22Å; Y24-T28 PolarHBondContact O-N 2.96Å; Y24-T28 PolarHBondContact O-OG1 2.8Å; R25-T28 WeakPolarHBondContact CA-OG1 3.19Å; R25-T28 PolarHBondContact O-N 3.25Å; R25-T28 PolarHBondContact O-OG1 3.08Å; T28-N30 PolarHBondContact O-N 3.08Å; T28-S31 PolarHBondContact O-N 3.3Å; T28-E32 WeakPolarHBondContact O-CB 3.37Å; T28-E32 PolarHBondContact O-N 2.92Å
29Q95.9Very high95.5Very high48 Ų4870.3 Ų70.322%0.22434%0.344CS..Hα-helixtrans-63.1-42178.7-65.5-87.1-8500111.8R25 E32 L33 V106 Y151R25-Q29 HydrophobicContact CG-CG 4.17Å; R25-Q29 WeakPolarHBondContact O-CB 3.42Å; R25-Q29 WeakPolarHBondContact O-CG 3.49Å; R25-Q29 PolarHBondContact O-N 2.84Å; Q29-E32 PolarHBondContact O-N 2.9Å; Q29-L33 PolarHBondContact O-N 3.22Å; Q29-V106 HydrophobicContact CB-CB 4.5Å; Q29-V106 HydrophobicContact CB-CG1 4.28Å; Q29-Y151 HydrophobicContact CB-CE1 3.79Å; Q29-Y151 HydrophobicContact CG-CE1 4.21Å
30N94Very high95.8Very high2 Ų264 Ų641%0.01132%0.32CS..Hα-helixtrans-71.5-36.9178.5-81.5-44.1000113W26 Y27 T28 E32 L33 L34 W63 C149W26-N30 VanDerWaalsContact CZ2-ND2 3.29Å; W26-N30 WeakPolarHBondContact CZ2-ND2 3.47Å; W26-N30 PolarHBondContact NE1-ND2 2.82Å; W26-N30 VanDerWaalsContact O-CB 3.31Å; W26-N30 WeakPolarHBondContact O-CB 3.45Å; W26-N30 PolarHBondContact O-N 3.19Å; W26-N30 VanDerWaalsContact O-N 3.12Å; W26-N30 PolarHBondContact O-ND2 3.11Å; Y27-N30 PolarHBondContact O-N 3.27Å; T28-N30 PolarHBondContact O-N 3.08Å; N30-E32 VanDerWaalsContact C-N 3.32Å; N30-L33 PolarHBondContact O-N 3.28Å; N30-L34 PolarHBondContact O-N 3.32Å; N30-W63 HydrophobicContact CB-CH2 3.33Å; N30-W63 HydrophobicContact CB-CZ2 3.71Å; N30-W63 HydrophobicContact CB-CZ3 3.97Å; N30-W63 VanDerWaalsContact CG-CH2 3.41Å; N30-W63 WeakPolarHBondContact OD1-CH2 3.43Å; N30-C149 WeakPolarHBondContact OD1-CB 3.5Å; N30-C149 PolarHBondContact OD1-O 3.34Å
31S95.3Very high96Very high54 Ų5458.1 Ų58.138%0.37829%0.292SS..Hα-helixtrans-63-40.1172.4-1660000111.2Y27 T28 L34 A35Y27-S31 VanDerWaalsContact O-CB 3.27Å; Y27-S31 WeakPolarHBondContact O-CB 3.37Å; Y27-S31 PolarHBondContact O-N 3.4Å; T28-S31 PolarHBondContact O-N 3.3Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-A35 WeakPolarHBondContact O-CB 3.4Å; S31-A35 PolarHBondContact O-N 3.32Å
32E97.6Very high96.2Very high64 Ų6462.5 Ų62.530%0.29930%0.303SS..Hα-helixtrans-61.8-43.8173.8-171179.3-164.400111.7T28 Q29 N30 L34 A35 L36 R107T28-E32 WeakPolarHBondContact O-CB 3.37Å; T28-E32 PolarHBondContact O-N 2.92Å; Q29-E32 PolarHBondContact O-N 2.9Å; N30-E32 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.97Å; E32-A35 PolarHBondContact O-N 3.1Å; E32-L36 HydrophobicContact CG-CD1 4.05Å; E32-L36 HydrophobicContact CG-CG 4.46Å; E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.28Å; E32-R107 HydrophobicContact CG-CB 4.3Å; E32-R107 WeakPolarHBondContact OE1-CB 3.38Å; E32-R107 WeakPolarHBondContact OE1-CD 3.06Å; E32-R107 WeakPolarHBondContact OE2-CB 3.15Å
33L98.6Very high96.5Very high0 Ų060.1 Ų60.10%029%0.291CS..Hα-helixtrans-58.8-47.5174.8-73.9174.2000111.8Q29 N30 A35 L36 H37 V106 A110 C149 V165Q29-L33 PolarHBondContact O-N 3.22Å; N30-L33 PolarHBondContact O-N 3.28Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.5Å; L33-L36 PolarHBondContact O-N 3.2Å; L33-H37 PolarHBondContact O-N 3.47Å; L33-H37 PolarHBondContact O-ND1 3.08Å; L33-V106 HydrophobicContact CD1-CG1 3.6Å; L33-V106 HydrophobicContact CD2-CG1 4.18Å; L33-V106 HydrophobicContact CG-CG1 3.92Å; L33-A110 HydrophobicContact CD2-CB 4.2Å; L33-C149 HydrophobicContact CD1-CB 3.61Å; L33-V165 HydrophobicContact CD1-CG1 3.95Å
34L98.6Very high96.8Very high30 Ų3058.2 Ų58.216%0.15728%0.275CS..Hα-helixtrans-59.4-44.3176.5173.263.2000111.9N30 S31 E32 H37 N38 L61 W63 I147N30-L34 PolarHBondContact O-N 3.32Å; S31-L34 PolarHBondContact O-N 2.95Å; E32-L34 PolarHBondContact O-N 2.97Å; L34-H37 PolarHBondContact O-N 3.25Å; L34-N38 WeakPolarHBondContact CD1-ND2 3.28Å; L34-N38 WeakPolarHBondContact O-CB 3.4Å; L34-N38 PolarHBondContact O-N 3.19Å; L34-N38 PolarHBondContact O-ND2 2.89Å; L34-L61 HydrophobicContact CD1-CB 3.76Å; L34-W63 HydrophobicContact CB-CE3 4.32Å; L34-W63 HydrophobicContact CD2-CB 4.14Å; L34-I147 HydrophobicContact CD1-CG2 3.42Å; L34-I147 VanDerWaalsContact CD1-CG2 3.42Å
35A98.6Very high97Very high58 Ų5853.2 Ų53.248%0.47926%0.256SS..Hα-helixtrans-62.4-45.5179.200000111.6S31 E32 L33 N38 A39S31-A35 WeakPolarHBondContact O-CB 3.4Å; S31-A35 PolarHBondContact O-N 3.32Å; E32-A35 PolarHBondContact O-N 3.1Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.5Å; A35-N38 PolarHBondContact O-N 3.06Å; A35-A39 WeakPolarHBondContact O-CB 3.5Å; A35-A39 PolarHBondContact O-N 3.07Å
36L98.8Very high97.2Very high45 Ų4551.9 Ų51.924%0.23625%0.252CS..Hα-helixtrans-61.9-44.9177.1-72.1168.6000111.8E32 L33 N38 A39 Y40 R107 A110E32-L36 HydrophobicContact CG-CD1 4.05Å; E32-L36 HydrophobicContact CG-CG 4.46Å; E32-L36 WeakPolarHBondContact O-CB 3.29Å; E32-L36 VanDerWaalsContact O-CG 3.31Å; E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 3.2Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.34Å; L36-A39 PolarHBondContact O-N 2.59Å; L36-Y40 HydrophobicContact CB-CE2 4.27Å; L36-Y40 WeakPolarHBondContact O-CD2 3.34Å; L36-Y40 PolarHBondContact O-N 3.05Å; L36-R107 HydrophobicContact CD1-CB 4.14Å; L36-R107 WeakPolarHBondContact CD1-O 3.44Å; L36-A110 HydrophobicContact CB-CB 3.84Å; L36-A110 HydrophobicContact CD1-CB 4.1Å
37H98.8Very high97.5Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-59.4-45.3175.9-76.873000111.7L33 L34 A39 Y40 R41 L61 W113 I147 Y169L33-H37 PolarHBondContact O-N 3.47Å; L33-H37 PolarHBondContact O-ND1 3.08Å; L34-H37 PolarHBondContact O-N 3.25Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 2.98Å; H37-Y40 PolarHBondContact O-N 3.44Å; H37-R41 WeakPolarHBondContact O-CB 3.25Å; H37-R41 VanDerWaalsContact O-CG 3.24Å; H37-R41 WeakPolarHBondContact O-CG 3.27Å; H37-R41 PolarHBondContact O-N 2.9Å; H37-L61 HydrophobicContact CB-CD1 3.82Å; H37-W113 AromaticContact CE1-CE3 3.96Å; H37-W113 AromaticContact CE1-CZ3 3.76Å; H37-W113 AromaticContact NE2-CE3 3.76Å; H37-W113 AromaticContact NE2-CZ3 3.81Å; H37-I147 HydrophobicContact CB-CD1 4.49Å; H37-Y169 AromaticContact CD2-CE1 3.84Å; H37-Y169 AromaticContact NE2-CE1 3.86Å; H37-Y169 AromaticContact NE2-CZ 3.86Å; H37-Y169 PolarHBondContact NE2-OH 2.88Å
38N98.8Very high97.7Very high25 Ų2548.4 Ų48.413%0.13426%0.257CS..Hα-helixtrans-66.4-34.5178.2-81-34.8000112.6L34 A35 L36 R42 K60 L61L34-N38 WeakPolarHBondContact CD1-ND2 3.28Å; L34-N38 WeakPolarHBondContact O-CB 3.4Å; L34-N38 PolarHBondContact O-N 3.19Å; L34-N38 PolarHBondContact O-ND2 2.89Å; A35-N38 PolarHBondContact O-N 3.06Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.34Å; N38-R42 VanDerWaalsContact O-CB 3.24Å; N38-R42 WeakPolarHBondContact O-CB 3.27Å; N38-R42 PolarHBondContact O-N 3.43Å; N38-K60 WeakPolarHBondContact OD1-CG 3.44Å; N38-L61 PolarHBondContact ND2-O 3.23Å; N38-L61 WeakPolarHBondContact OD1-CB 3.49Å; N38-L61 PolarHBondContact OD1-N 3.45Å
39A98.8Very high97.8Very high49 Ų4946.6 Ų46.641%0.40525%0.246SC..Hα-helixtrans-64.9-45.3173.400000111.7A35 L36 H37 R42 N43A35-A39 WeakPolarHBondContact O-CB 3.5Å; A35-A39 PolarHBondContact O-N 3.07Å; L36-A39 PolarHBondContact O-N 2.59Å; H37-A39 VanDerWaalsContact C-N 3.34Å; H37-A39 PolarHBondContact O-N 2.98Å; A39-R42 WeakPolarHBondContact O-CB 3.23Å; A39-R42 PolarHBondContact O-N 3.25Å; A39-N43 PolarHBondContact O-N 3.12Å
40Y98.8Very high97.9Very high39 Ų3953.6 Ų53.615%0.15327%0.271CS..Hα-helixtrans-65.3-45.4176.3-69.3-48.9000112.8L36 H37 R42 N43 I44 A110 F114 L139L36-Y40 HydrophobicContact CB-CE2 4.27Å; L36-Y40 WeakPolarHBondContact O-CD2 3.34Å; L36-Y40 PolarHBondContact O-N 3.05Å; H37-Y40 PolarHBondContact O-N 3.44Å; Y40-R42 VanDerWaalsContact C-N 3.25Å; Y40-R42 PolarHBondContact O-N 3.26Å; Y40-N43 WeakPolarHBondContact O-CB 3.45Å; Y40-N43 PolarHBondContact O-N 3.27Å; Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.47Å; Y40-A110 HydrophobicContact CE2-CB 4.12Å; Y40-F114 VanDerWaalsContact CB-CD2 3.49Å; Y40-F114 HydrophobicContact CD1-CB 4.07Å; Y40-F114 AromaticContact CD1-CD1 3.34Å; Y40-F114 HydrophobicContact CD1-CD1 3.34Å; Y40-F114 AromaticContact CD1-CD2 3.5Å; Y40-F114 HydrophobicContact CD1-CD2 3.5Å; Y40-F114 AromaticContact CD1-CE1 3.5Å; Y40-F114 HydrophobicContact CD1-CE1 3.5Å; Y40-F114 VanDerWaalsContact CD1-CE1 3.5Å; Y40-F114 AromaticContact CD1-CE2 3.65Å; Y40-F114 HydrophobicContact CD1-CE2 3.65Å; Y40-F114 AromaticContact CD1-CG 3.32Å; Y40-F114 HydrophobicContact CD1-CG 3.32Å; Y40-F114 AromaticContact CD1-CZ 3.64Å; Y40-F114 HydrophobicContact CD1-CZ 3.64Å; Y40-F114 HydrophobicContact CD2-CB 3.85Å; Y40-F114 HydrophobicContact CD2-CD2 4.14Å; Y40-F114 AromaticContact CD2-CG 3.96Å; Y40-F114 HydrophobicContact CD2-CG 3.96Å; Y40-F114 HydrophobicContact CE1-CB 4.06Å; Y40-F114 AromaticContact CE1-CD1 3.29Å; Y40-F114 HydrophobicContact CE1-CD1 3.29Å; Y40-F114 HydrophobicContact CE1-CD2 4.25Å; Y40-F114 AromaticContact CE1-CE1 3.7Å; Y40-F114 HydrophobicContact CE1-CE1 3.7Å; Y40-F114 AromaticContact CE1-CG 3.59Å; Y40-F114 HydrophobicContact CE1-CG 3.59Å; Y40-F114 HydrophobicContact CE1-CZ 4.32Å; Y40-F114 HydrophobicContact CE2-CB 3.84Å; Y40-F114 HydrophobicContact CE2-CG 4.18Å; Y40-F114 HydrophobicContact CG-CB 3.97Å; Y40-F114 HydrophobicContact CG-CD1 4.07Å; Y40-F114 AromaticContact CG-CD2 3.45Å; Y40-F114 HydrophobicContact CG-CD2 3.45Å; Y40-F114 VanDerWaalsContact CG-CD2 3.45Å; Y40-F114 HydrophobicContact CG-CE1 4.43Å; Y40-F114 AromaticContact CG-CE2 3.87Å; Y40-F114 HydrophobicContact CG-CE2 3.87Å; Y40-F114 AromaticContact CG-CG 3.54Å; Y40-F114 HydrophobicContact CG-CG 3.54Å; Y40-F114 HydrophobicContact CG-CZ 4.33Å; Y40-F114 AromaticContact CZ-CD1 3.98Å; Y40-L139 HydrophobicContact CD2-CD1 4.16Å
41R98.7Very high98Very high4 Ų459.8 Ų59.82%0.01530%0.304CS..Hα-helixtrans-58.2-39.1174-74.7174.174.284.2-3.1111.6H37 I44 K45 M58 L59 L139 F141 A142 T144H37-R41 WeakPolarHBondContact O-CB 3.25Å; H37-R41 VanDerWaalsContact O-CG 3.24Å; H37-R41 WeakPolarHBondContact O-CG 3.27Å; H37-R41 PolarHBondContact O-N 2.9Å; R41-I44 PolarHBondContact O-N 2.95Å; R41-K45 WeakPolarHBondContact O-CB 3.29Å; R41-K45 PolarHBondContact O-N 3.18Å; R41-M58 HydrophobicContact CB-CG 3.63Å; R41-M58 HydrophobicContact CB-SD 4.14Å; R41-M58 HydrophobicContact CG-CG 4.18Å; R41-M58 HydrophobicContact CG-SD 4.02Å; R41-M58 PolarHBondContact NH2-SD 3.28Å; R41-M58 VanDerWaalsContact NH2-SD 3.42Å; R41-M58 WeakPolarHBondContact O-CG 3.36Å; R41-L59 VanDerWaalsContact CZ-O 3.24Å; R41-L59 PolarHBondContact NE-O 2.89Å; R41-L59 PolarHBondContact NH2-O 2.75Å; R41-L139 HydrophobicContact CG-CD2 4.4Å; R41-L139 WeakPolarHBondContact CG-O 3.35Å; R41-L139 PolarHBondContact NH1-O 2.95Å; R41-F141 PolarHBondContact NH1-O 3.21Å; R41-F141 PolarHBondContact NH2-O 3.15Å; R41-A142 PolarHBondContact NH2-O 2.72Å; R41-T144 PolarHBondContact NH2-O 3.01Å
42R98.7Very high98Very high163 Ų16358 Ų5862%0.61529%0.289SS*.Hα-helixtrans-62.4-43.8172.3-178.7-179.9179.4-156.71.3112N38 A39 Y40 I44 K45 Y46N38-R42 VanDerWaalsContact O-CB 3.24Å; N38-R42 WeakPolarHBondContact O-CB 3.27Å; N38-R42 PolarHBondContact O-N 3.43Å; A39-R42 WeakPolarHBondContact O-CB 3.23Å; A39-R42 PolarHBondContact O-N 3.25Å; Y40-R42 VanDerWaalsContact C-N 3.25Å; Y40-R42 PolarHBondContact O-N 3.26Å; R42-I44 VanDerWaalsContact C-N 3.31Å; R42-I44 PolarHBondContact O-N 3.37Å; R42-K45 PolarHBondContact O-N 2.79Å; R42-Y46 HydrophobicContact CG-CD2 3.6Å; R42-Y46 HydrophobicContact CG-CE2 3.65Å; R42-Y46 VanDerWaalsContact O-CD2 3.26Å; R42-Y46 WeakPolarHBondContact O-CD2 3.31Å; R42-Y46 PolarHBondContact O-N 3.48Å; R42-Y46 VanDerWaalsContact O-N 3.1Å
43N98.8Very high98Very high56 Ų5656.3 Ų56.330%0.29928%0.284SS..Hα-helixtrans-60.5-42.2176.6-71.7-13.3000111.6A39 Y40 Y46 G47 N48 V49A39-N43 PolarHBondContact O-N 3.12Å; Y40-N43 WeakPolarHBondContact O-CB 3.45Å; Y40-N43 PolarHBondContact O-N 3.27Å; N43-Y46 CarbonylContact O-C 3.51Å; N43-Y46 PolarHBondContact O-N 3.45Å; N43-G47 PolarHBondContact O-N 2.93Å; N43-G47 VanDerWaalsContact O-N 3.1Å; N43-N48 HydrophobicContact CB-CB 4Å; N43-N48 PolarHBondContact O-N 3.05Å; N43-V49 HydrophobicContact CB-CG2 3.88Å
44I98.3Very high97.9Very high1 Ų159.2 Ų59.21%0.00530%0.298CS..Hα-helixtrans-62-45.7174.9-61.3167.3000110.7Y40 R41 R42 Y46 G47 V49 A55 M58 F114 Y136 L139 A140 Y181Y40-I44 WeakPolarHBondContact O-CG1 3.39Å; Y40-I44 PolarHBondContact O-N 3.47Å; R41-I44 PolarHBondContact O-N 2.95Å; R42-I44 VanDerWaalsContact C-N 3.31Å; R42-I44 PolarHBondContact O-N 3.37Å; I44-Y46 PolarHBondContact O-N 2.89Å; I44-G47 PolarHBondContact O-N 3.45Å; I44-V49 HydrophobicContact CB-CG2 4.4Å; I44-V49 HydrophobicContact CG1-CG2 3.69Å; I44-A55 HydrophobicContact CG2-CB 3.92Å; I44-A55 PolarHBondContact O-N 2.67Å; I44-A55 VanDerWaalsContact O-N 3.08Å; I44-M58 HydrophobicContact CB-CE 4.19Å; I44-M58 HydrophobicContact CG2-CE 3.7Å; I44-F114 HydrophobicContact CD1-CE2 4.33Å; I44-F114 HydrophobicContact CG1-CE2 4.32Å; I44-Y136 HydrophobicContact CD1-CE2 3.97Å; I44-L139 HydrophobicContact CD1-CD2 4.4Å; I44-A140 HydrophobicContact CD1-CB 3.6Å; I44-Y181 HydrophobicContact CG2-CD1 3.88Å; I44-Y181 HydrophobicContact CG2-CE1 3.35Å; I44-Y181 HydrophobicContact CG2-CE2 4.08Å; I44-Y181 HydrophobicContact CG2-CG 4.46Å; I44-Y181 VanDerWaalsContact CG2-CZ 3.44Å
45K97.7Very high97.8Very high54 Ų5457.8 Ų57.824%0.23529%0.29CS..Hα-helixtrans-59-31179.6177.256.1-166.7154.90113.8R41 R42 Q54 A55 M56 M58R41-K45 WeakPolarHBondContact O-CB 3.29Å; R41-K45 PolarHBondContact O-N 3.18Å; R42-K45 PolarHBondContact O-N 2.79Å; K45-Q54 WeakPolarHBondContact O-CG 3.05Å; K45-Q54 PolarHBondContact O-NE2 3.01Å; K45-A55 WeakPolarHBondContact CD-O 3.33Å; K45-A55 PolarHBondContact NZ-O 2.67Å; K45-M56 VanDerWaalsContact NZ-C 3.35Å; K45-M56 PolarHBondContact NZ-O 3.38Å; K45-M58 HydrophobicContact CB-CB 3.85Å; K45-M58 HydrophobicContact CD-CB 4.19Å; K45-M58 HydrophobicContact CG-CB 4.3Å
46Y96.9Very high97.6Very high131 Ų13159.7 Ų59.751%0.51429%0.29SS..THydrogen-bonded Turntrans-107.914.2-178.2-65.7-62.6000113.6R42 N43 I44 N48R42-Y46 HydrophobicContact CG-CD2 3.6Å; R42-Y46 HydrophobicContact CG-CE2 3.65Å; R42-Y46 VanDerWaalsContact O-CD2 3.26Å; R42-Y46 WeakPolarHBondContact O-CD2 3.31Å; R42-Y46 PolarHBondContact O-N 3.48Å; R42-Y46 VanDerWaalsContact O-N 3.1Å; N43-Y46 CarbonylContact O-C 3.51Å; N43-Y46 PolarHBondContact O-N 3.45Å; I44-Y46 PolarHBondContact O-N 2.89Å; Y46-N48 VanDerWaalsContact C-N 3.28Å; Y46-N48 PolarHBondContact O-N 3.4Å
47G96.6Very high97.5Very high36 Ų3660.1 Ų60.137%0.37130%0.297SS..THydrogen-bonded Turntrans70.621.217400000114.4N43 I44 V49N43-G47 PolarHBondContact O-N 2.93Å; N43-G47 VanDerWaalsContact O-N 3.1Å; I44-G47 PolarHBondContact O-N 3.45Å; G47-V49 VanDerWaalsContact C-N 3.25Å; G47-V49 PolarHBondContact O-N 3.3Å
48N98Very high97.4Very high110 Ų11061.4 Ų61.459%0.58830%0.303SS*.  trans-90.922.3-178.7-62.7-37.1000112.7N43 Y46N43-N48 HydrophobicContact CB-CB 4Å; N43-N48 PolarHBondContact O-N 3.05Å; Y46-N48 VanDerWaalsContact C-N 3.28Å; Y46-N48 PolarHBondContact O-N 3.4Å
49V98.1Very high97.4Very high9 Ų964.1 Ų64.16%0.05532%0.317CS..SBendtrans-118.4115.7178.3-173.10000108N43 I44 G47 D51 Q52 F114 H117N43-V49 HydrophobicContact CB-CG2 3.88Å; I44-V49 HydrophobicContact CB-CG2 4.4Å; I44-V49 HydrophobicContact CG1-CG2 3.69Å; G47-V49 VanDerWaalsContact C-N 3.25Å; G47-V49 PolarHBondContact O-N 3.3Å; V49-D51 PolarHBondContact O-N 2.94Å; V49-Q52 HydrophobicContact CB-CB 4.12Å; V49-Q52 HydrophobicContact CB-CG 4.41Å; V49-Q52 HydrophobicContact CG1-CB 4.01Å; V49-Q52 HydrophobicContact CG1-CG 3.75Å; V49-Q52 PolarHBondContact O-N 3.33Å; V49-F114 HydrophobicContact CB-CZ 4.49Å; V49-F114 HydrophobicContact CG1-CZ 3.97Å; V49-F114 HydrophobicContact CG2-CE2 4.16Å; V49-F114 HydrophobicContact CG2-CZ 3.7Å; V49-H117 HydrophobicContact CG1-CB 4.26Å
50R97Very high97.4Very high196 Ų19669.8 Ų69.874%0.7433%0.333SS*.THydrogen-bonded Turntrans-57.9138.8-178-168.5-168.4163.9147.22.9110.7Q52 H117R50-Q52 PolarHBondContact O-N 3.39Å; R50-H117 PolarHBondContact O-ND1 2.99Å
51D95.8Very high97.4Very high131 Ų13168 Ų6870%0.70133%0.326SS*.THydrogen-bonded Turntrans60.321.9176.8-49.5-43.7000113.6V49V49-D51 PolarHBondContact O-N 2.94Å
52Q97Very high97.4Very high17 Ų1771.2 Ų71.28%0.07935%0.346CS..SBendtrans-130.6136.6176.5-61.2-66.5-68.300109.6V49 R50 H117 Y120 Y136V49-Q52 HydrophobicContact CB-CB 4.12Å; V49-Q52 HydrophobicContact CB-CG 4.41Å; V49-Q52 HydrophobicContact CG1-CB 4.01Å; V49-Q52 HydrophobicContact CG1-CG 3.75Å; V49-Q52 PolarHBondContact O-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.39Å; Q52-H117 HydrophobicContact CG-CB 4.31Å; Q52-H117 PolarHBondContact NE2-O 2.8Å; Q52-Y120 PolarHBondContact NE2-O 3.04Å; Q52-Y136 PolarHBondContact OE1-OH 2.97Å
53P96.5Very high97.3Very high28 Ų2866 Ų6618%0.18233%0.327CS..PPolyproline II helixtrans-68.315217827.3-32000110.8F122 Y181 P183 Y185P53-F122 VanDerWaalsContact CD-CG 3.49Å; P53-F122 HydrophobicContact CG-CB 4.14Å; P53-F122 HydrophobicContact CG-CD1 3.39Å; P53-F122 HydrophobicContact CG-CD2 3.76Å; P53-F122 HydrophobicContact CG-CE1 3.58Å; P53-F122 HydrophobicContact CG-CE2 3.98Å; P53-F122 HydrophobicContact CG-CG 3.48Å; P53-F122 VanDerWaalsContact CG-CG 3.48Å; P53-F122 HydrophobicContact CG-CZ 3.85Å; P53-Y181 HydrophobicContact CG-CE2 4.15Å; P53-Y181 VanDerWaalsContact O-CE2 3.27Å; P53-Y181 WeakPolarHBondContact O-CE2 3.47Å; P53-Y181 PolarHBondContact O-OH 2.73Å; P53-P183 HydrophobicContact CB-CB 3.66Å; P53-P183 HydrophobicContact CG-CB 3.7Å; P53-Y185 HydrophobicContact CB-CE1 4.47Å
54Q96.5Very high97.3Very high62 Ų6264.1 Ų64.129%0.2932%0.318SS..EExtended strand (participates in β ladder)trans-61.4137.6170.8-178.6179.4-9.400109.7K45 P183 I184K45-Q54 WeakPolarHBondContact O-CG 3.05Å; K45-Q54 PolarHBondContact O-NE2 3.01Å; Q54-P183 CarbonylContact O-C 3.43Å; Q54-P183 WeakPolarHBondContact O-CA 3.47Å; Q54-I184 HydrophobicContact CB-CB 4.41Å; Q54-I184 HydrophobicContact CG-CD1 4.05Å; Q54-I184 PolarHBondContact O-N 3.37Å
55A96.5Very high97.2Very high0 Ų070.7 Ų70.70%035%0.348CS..EExtended strand (participates in β ladder)trans-79.8134.9175.400000112.7I44 K45 S57 M58 Y181I44-A55 HydrophobicContact CG2-CB 3.92Å; I44-A55 PolarHBondContact O-N 2.67Å; I44-A55 VanDerWaalsContact O-N 3.08Å; K45-A55 WeakPolarHBondContact CD-O 3.33Å; K45-A55 PolarHBondContact NZ-O 2.67Å; A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 WeakPolarHBondContact CB-O 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å; A55-M58 HydrophobicContact CB-CE 3.86Å; A55-Y181 HydrophobicContact CB-CD1 4.44Å; A55-Y181 HydrophobicContact CB-CD2 3.38Å; A55-Y181 HydrophobicContact CB-CE2 3.84Å; A55-Y181 HydrophobicContact CB-CG 3.71Å
56M95.3Very high97.2Very high98 Ų9872.4 Ų72.448%0.48336%0.355SS..SBendtrans-62.9-35.9171.4-173.9-179.2-70.200111.8K45 D182 I184K45-M56 VanDerWaalsContact NZ-C 3.35Å; K45-M56 PolarHBondContact NZ-O 3.38Å; M56-D182 HydrophobicContact CB-CB 4.21Å; M56-D182 WeakPolarHBondContact CB-O 3.41Å; M56-D182 PolarHBondContact N-O 2.92Å; M56-I184 HydrophobicContact CB-CD1 4.48Å; M56-I184 HydrophobicContact CB-CG1 3.97Å; M56-I184 HydrophobicContact CG-CG1 4.45Å
57S95.6Very high97.2Very high53 Ų5366.1 Ų66.137%0.37133%0.331SS..  trans-146.1153.3173.375.10000111A55A55-S57 VanDerWaalsContact C-N 3.28Å; A55-S57 WeakPolarHBondContact CB-O 3.35Å; A55-S57 PolarHBondContact O-N 3.03Å
58M97.7Very high97.3Very high28 Ų2864.4 Ų64.414%0.13831%0.313CS..  trans-156.1107.8176.1-170.663.861.200109.5R41 I44 K45 A55 A140 Y181R41-M58 HydrophobicContact CB-CG 3.63Å; R41-M58 HydrophobicContact CB-SD 4.14Å; R41-M58 HydrophobicContact CG-CG 4.18Å; R41-M58 HydrophobicContact CG-SD 4.02Å; R41-M58 PolarHBondContact NH2-SD 3.28Å; R41-M58 VanDerWaalsContact NH2-SD 3.42Å; R41-M58 WeakPolarHBondContact O-CG 3.36Å; I44-M58 HydrophobicContact CB-CE 4.19Å; I44-M58 HydrophobicContact CG2-CE 3.7Å; K45-M58 HydrophobicContact CB-CB 3.85Å; K45-M58 HydrophobicContact CD-CB 4.19Å; K45-M58 HydrophobicContact CG-CB 4.3Å; A55-M58 HydrophobicContact CB-CE 3.86Å; M58-A140 WeakPolarHBondContact CE-O 3.35Å; M58-Y181 HydrophobicContact CE-CD1 3.9Å; M58-Y181 HydrophobicContact CE-CG 4.13Å
59L97.7Very high97.2Very high82 Ų8263.6 Ų63.643%0.42931%0.306SS..PPolyproline II helixtrans-69.6135.3-178.9-63.5175.6000110.6R41 L61 A142 T145R41-L59 VanDerWaalsContact CZ-O 3.24Å; R41-L59 PolarHBondContact NE-O 2.89Å; R41-L59 PolarHBondContact NH2-O 2.75Å; L59-L61 PolarHBondContact O-N 2.91Å; L59-A142 WeakPolarHBondContact CB-O 3.18Å; L59-A142 PolarHBondContact N-O 3.3Å; L59-T145 HydrophobicContact CD1-CG2 3.53Å
60K98.5Very high97.1Very high167 Ų16763.5 Ų63.573%0.72631%0.305SS*.PPolyproline II helixtrans-69.6130.6170.7-173.1-179.2178.9-179.10108.7N38N38-K60 WeakPolarHBondContact OD1-CG 3.44Å
61L98.8Very high97.2Very high3 Ų354.2 Ų54.22%0.01627%0.27CS..PPolyproline II helixtrans-73.8143.8178.1-57.7-179.7000111.1L34 H37 N38 L59 T144 T145 I147L34-L61 HydrophobicContact CD1-CB 3.76Å; H37-L61 HydrophobicContact CB-CD1 3.82Å; N38-L61 PolarHBondContact ND2-O 3.23Å; N38-L61 WeakPolarHBondContact OD1-CB 3.49Å; N38-L61 PolarHBondContact OD1-N 3.45Å; L59-L61 PolarHBondContact O-N 2.91Å; L61-T144 HydrophobicContact CD2-CG2 3.59Å; L61-T144 VanDerWaalsContact CD2-O 3.25Å; L61-T144 WeakPolarHBondContact CD2-O 3.38Å; L61-T145 WeakPolarHBondContact CA-O 3.29Å; L61-I147 HydrophobicContact CB-CG2 3.99Å; L61-I147 HydrophobicContact CD1-CB 4.1Å; L61-I147 HydrophobicContact CD1-CD1 4.32Å; L61-I147 HydrophobicContact CD1-CG2 3.99Å
62T98.5Very high97.3Very high70 Ų7049.8 Ų49.843%0.42925%0.245SC..EExtended strand (participates in β ladder)trans-113.5157.6166.961.30000110.6T145 H146 I147T62-T145 PolarHBondContact N-O 3.12Å; T62-T145 PolarHBondContact OG1-O 3.34Å; T62-H146 VanDerWaalsContact O-CA 3.28Å; T62-H146 WeakPolarHBondContact O-CA 3.27Å; T62-H146 PolarHBondContact OG1-CD2 3.02Å; T62-I147 PolarHBondContact O-N 3.28Å
63W98.3Very high97.2Very high55 Ų5553.6 Ų53.621%0.20826%0.263CS..EExtended strand (participates in β ladder)trans-75.1140.8178.6-170.2-108.2000111.5W26 N30 L34 H65 A68 I147 C149W26-W63 AromaticContact CH2-CZ2 3.9Å; W26-W63 HydrophobicContact CH2-CZ2 3.9Å; W26-W63 HydrophobicContact CZ2-CZ2 4.32Å; N30-W63 HydrophobicContact CB-CH2 3.33Å; N30-W63 HydrophobicContact CB-CZ2 3.71Å; N30-W63 HydrophobicContact CB-CZ3 3.97Å; N30-W63 VanDerWaalsContact CG-CH2 3.41Å; N30-W63 WeakPolarHBondContact OD1-CH2 3.43Å; L34-W63 HydrophobicContact CB-CE3 4.32Å; L34-W63 HydrophobicContact CD2-CB 4.14Å; W63-H65 AromaticContact CD1-CE1 3.85Å; W63-H65 AromaticContact CD1-ND1 3.98Å; W63-H65 AromaticContact CD1-NE2 3.92Å; W63-H65 AromaticContact NE1-CE1 3.91Å; W63-H65 AromaticContact NE1-ND1 3.73Å; W63-A68 HydrophobicContact CH2-CB 4.07Å; W63-A68 HydrophobicContact CZ2-CB 3.32Å; W63-I147 CarbonylContact C-O 3.52Å; W63-I147 WeakPolarHBondContact CA-O 3.48Å; W63-I147 HydrophobicContact CE3-CG2 4.46Å; W63-C149 HydrophobicContact CH2-CB 3.91Å; W63-C149 HydrophobicContact CZ3-CB 4.25Å
64S97.9Very high97.3Very high16 Ų1652.7 Ų52.711%0.11226%0.256CS..  trans-123.3113.4169178.30000110.8K66 L67 A68 I147S64-K66 VanDerWaalsContact C-N 3.26Å; S64-K66 PolarHBondContact O-N 2.82Å; S64-L67 PolarHBondContact O-N 2.87Å; S64-L67 PolarHBondContact OG-N 3.2Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.96Å; S64-I147 PolarHBondContact N-O 3.12Å
65H96.1Very high97.3Very high139 Ų13949.8 Ų49.864%0.64424%0.242SC*.Hα-helixtrans-58.1-38174.9-68.6-77000112.5W63 A68 E69W63-H65 AromaticContact CD1-CE1 3.85Å; W63-H65 AromaticContact CD1-ND1 3.98Å; W63-H65 AromaticContact CD1-NE2 3.92Å; W63-H65 AromaticContact NE1-CE1 3.91Å; W63-H65 AromaticContact NE1-ND1 3.73Å; H65-A68 WeakPolarHBondContact O-CB 3.36Å; H65-A68 PolarHBondContact O-N 3.23Å; H65-E69 WeakPolarHBondContact O-CB 3.38Å; H65-E69 PolarHBondContact O-N 3.32Å
66K96.9Very high97.3Very high89 Ų8955.1 Ų55.139%0.38727%0.27SS..Hα-helixtrans-66.7-40.5178.8-174.855.8178.5176.60112.5S64 A68 E69 M70S64-K66 VanDerWaalsContact C-N 3.26Å; S64-K66 PolarHBondContact O-N 2.82Å; K66-A68 VanDerWaalsContact C-N 3.31Å; K66-E69 VanDerWaalsContact CD-OE2 3.23Å; K66-E69 WeakPolarHBondContact CD-OE2 3.46Å; K66-E69 IonicContact NZ-OE2 2.67Å; K66-E69 PolarHBondContact NZ-OE2 3.15Å; K66-M70 HydrophobicContact CD-CE 4.15Å; K66-M70 HydrophobicContact CG-CE 4Å; K66-M70 WeakPolarHBondContact O-CG 3.41Å; K66-M70 PolarHBondContact O-N 2.94Å
67L98Very high97.4Very high0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-67.5-35.6175.1-66.9-177.3000111.8S64 A71 W93 V96 H146 N168S64-L67 PolarHBondContact O-N 2.87Å; S64-L67 PolarHBondContact OG-N 3.2Å; L67-A71 WeakPolarHBondContact O-CB 3.24Å; L67-A71 PolarHBondContact O-N 2.99Å; L67-W93 HydrophobicContact CD1-CE3 4.31Å; L67-W93 HydrophobicContact CD1-CH2 4.09Å; L67-W93 HydrophobicContact CD1-CZ3 3.69Å; L67-W93 HydrophobicContact CD2-CE3 4.12Å; L67-W93 HydrophobicContact CD2-CZ3 3.92Å; L67-W93 HydrophobicContact CG-CE3 4.42Å; L67-W93 HydrophobicContact CG-CH2 4.48Å; L67-W93 HydrophobicContact CG-CZ3 3.75Å; L67-V96 HydrophobicContact CD2-CG1 3.74Å; L67-V96 HydrophobicContact CD2-CG2 3.97Å; L67-H146 HydrophobicContact CD1-CB 4.21Å; L67-N168 HydrophobicContact CB-CB 4.04Å; L67-N168 HydrophobicContact CD2-CB 4.22Å; L67-N168 PolarHBondContact O-ND2 3.42Å; L67-N168 VanDerWaalsContact O-ND2 3.12Å
68A97.9Very high97.3Very high0 Ų054.8 Ų54.80%027%0.265CS..Hα-helixtrans-67.9-42.117800000112.2W26 W63 S64 H65 K66 A71 Q72 C149W26-A68 HydrophobicContact CH2-CB 4.24Å; W26-A68 HydrophobicContact CZ2-CB 4.13Å; W63-A68 HydrophobicContact CH2-CB 4.07Å; W63-A68 HydrophobicContact CZ2-CB 3.32Å; S64-A68 WeakPolarHBondContact O-CB 3.49Å; S64-A68 PolarHBondContact O-N 2.96Å; H65-A68 WeakPolarHBondContact O-CB 3.36Å; H65-A68 PolarHBondContact O-N 3.23Å; K66-A68 VanDerWaalsContact C-N 3.31Å; A68-A71 PolarHBondContact O-N 3.33Å; A68-Q72 VanDerWaalsContact O-CB 3.29Å; A68-Q72 WeakPolarHBondContact O-CB 3.49Å; A68-Q72 PolarHBondContact O-N 3.01Å; A68-C149 WeakPolarHBondContact CB-O 3.47Å
69E96.3Very high97.1Very high92 Ų9255.7 Ų55.743%0.4327%0.272SS..Hα-helixtrans-55.9-53.5172.5-178.9-174.2-13500110.9H65 K66 A71 Q72 E73H65-E69 WeakPolarHBondContact O-CB 3.38Å; H65-E69 PolarHBondContact O-N 3.32Å; K66-E69 VanDerWaalsContact CD-OE2 3.23Å; K66-E69 WeakPolarHBondContact CD-OE2 3.46Å; K66-E69 IonicContact NZ-OE2 2.67Å; K66-E69 PolarHBondContact NZ-OE2 3.15Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 2.59Å; E69-Q72 PolarHBondContact O-N 3.29Å; E69-Q72 VanDerWaalsContact O-N 3.15Å; E69-E73 WeakPolarHBondContact O-CG 3.48Å; E69-E73 PolarHBondContact O-N 3.32Å
70M97.1Very high96.8Very high8 Ų856.5 Ų56.54%0.03928%0.282CS..Hα-helixtrans-59.9-36.2176.9-65.4174.8-178.300113K66 W74 K89 N168K66-M70 HydrophobicContact CD-CE 4.15Å; K66-M70 HydrophobicContact CG-CE 4Å; K66-M70 WeakPolarHBondContact O-CG 3.41Å; K66-M70 PolarHBondContact O-N 2.94Å; M70-W74 PolarHBondContact O-N 3.13Å; M70-K89 WeakPolarHBondContact CE-O 3.31Å; M70-N168 WeakPolarHBondContact CB-ND2 3.32Å
71A98Very high96.6Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-70.5-40.4178.400000111L67 A68 E69 W74 A75 V166 N168L67-A71 WeakPolarHBondContact O-CB 3.24Å; L67-A71 PolarHBondContact O-N 2.99Å; A68-A71 PolarHBondContact O-N 3.33Å; E69-A71 VanDerWaalsContact C-N 3.27Å; E69-A71 PolarHBondContact O-N 2.59Å; A71-W74 PolarHBondContact O-N 2.92Å; A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 2.9Å; A71-V166 HydrophobicContact CB-CB 4.18Å; A71-V166 HydrophobicContact CB-CG1 3.93Å; A71-N168 WeakPolarHBondContact CA-ND2 3.46Å; A71-N168 PolarHBondContact N-ND2 3.25Å; A71-N168 VanDerWaalsContact N-ND2 3.16Å
72Q97.1Very high96.4Very high39 Ų3959.4 Ų59.418%0.18229%0.288CS..Hα-helixtrans-65.9-44.8177.2-172.160.262.200111.5W26 A68 E69 W74 A75 L76 Y151W26-Q72 VanDerWaalsContact NE1-OE1 3.15Å; A68-Q72 VanDerWaalsContact O-CB 3.29Å; A68-Q72 WeakPolarHBondContact O-CB 3.49Å; A68-Q72 PolarHBondContact O-N 3.01Å; E69-Q72 PolarHBondContact O-N 3.29Å; E69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-W74 PolarHBondContact O-N 3.04Å; Q72-A75 PolarHBondContact O-N 3.13Å; Q72-L76 VanDerWaalsContact O-CG 3.31Å; Q72-L76 WeakPolarHBondContact O-CG 3.04Å; Q72-L76 PolarHBondContact O-N 2.85Å; Q72-Y151 PolarHBondContact NE2-O 2.93Å; Q72-Y151 VanDerWaalsContact OE1-N 3.15Å; Q72-Y151 PolarHBondContact OE1-O 3.03Å
73E96.9Very high96.2Very high97 Ų9756.4 Ų56.445%0.45327%0.27SS..Hα-helixtrans-56.1-40173.8-74.4176.2-177.100112E69 Q77E69-E73 WeakPolarHBondContact O-CG 3.48Å; E69-E73 PolarHBondContact O-N 3.32Å; E73-Q77 PolarHBondContact O-NE2 3.23Å
74W97.6Very high96Very high9 Ų958.5 Ų58.53%0.03429%0.285CS..Hα-helixtrans-74.1-40.7176.4-172-118.6000113.1M70 A71 Q72 L76 Q77 R81 M87 F164 V166M70-W74 PolarHBondContact O-N 3.13Å; A71-W74 PolarHBondContact O-N 2.92Å; Q72-W74 PolarHBondContact O-N 3.04Å; W74-L76 PolarHBondContact O-N 3.42Å; W74-Q77 HydrophobicContact CD2-CG 4.36Å; W74-Q77 HydrophobicContact CE3-CB 4.26Å; W74-Q77 HydrophobicContact CE3-CG 3.66Å; W74-Q77 HydrophobicContact CZ3-CB 4.34Å; W74-Q77 HydrophobicContact CZ3-CG 3.9Å; W74-Q77 VanDerWaalsContact O-CB 3.31Å; W74-Q77 WeakPolarHBondContact O-CB 3.34Å; W74-Q77 WeakPolarHBondContact O-CG 3.4Å; W74-Q77 PolarHBondContact O-N 2.99Å; W74-R81 HydrophobicContact CZ2-CG 4.06Å; W74-R81 VanDerWaalsContact CZ2-O 3.24Å; W74-R81 WeakPolarHBondContact CZ2-O 3.26Å; W74-R81 PolarHBondContact NE1-O 3.24Å; W74-M87 HydrophobicContact CE3-CE 3.6Å; W74-M87 HydrophobicContact CE3-SD 3.62Å; W74-M87 HydrophobicContact CZ3-CE 3.93Å; W74-M87 HydrophobicContact CZ3-SD 3.48Å; W74-M87 WeakPolarHBondContact CZ3-SD 3.18Å; W74-F164 AromaticContact NE1-CZ 3.97Å; W74-V166 HydrophobicContact CB-CG1 4.44Å; W74-V166 HydrophobicContact CG-CG2 4.47Å
75A97.2Very high95.6Very high0 Ų063.9 Ų63.90%031%0.311CS..Hα-helixtrans-58.3-37.7178.400000111.3A71 Q72 Q77 C78 A152 F164 V166A71-A75 WeakPolarHBondContact O-CB 3.36Å; A71-A75 PolarHBondContact O-N 2.9Å; Q72-A75 PolarHBondContact O-N 3.13Å; A75-Q77 PolarHBondContact O-N 2.8Å; A75-Q77 VanDerWaalsContact O-N 3.14Å; A75-C78 PolarHBondContact O-N 3.38Å; A75-C78 VanDerWaalsContact O-N 3.12Å; A75-A152 HydrophobicContact CB-CB 4.18Å; A75-A152 VanDerWaalsContact O-CB 3.25Å; A75-A152 WeakPolarHBondContact O-CB 3.43Å; A75-F164 HydrophobicContact CB-CD1 4.42Å; A75-F164 WeakPolarHBondContact O-CD1 3.41Å; A75-V166 HydrophobicContact CB-CB 4.43Å; A75-V166 HydrophobicContact CB-CG2 3.88Å
76L96.4Very high95.4Very high112 Ų11261.5 Ų61.559%0.58631%0.306SS*.THydrogen-bonded Turntrans-62.6-18.5176.8-69.3170.2000114.1Q72 W74 C78 A152Q72-L76 VanDerWaalsContact O-CG 3.31Å; Q72-L76 WeakPolarHBondContact O-CG 3.04Å; Q72-L76 PolarHBondContact O-N 2.85Å; W74-L76 PolarHBondContact O-N 3.42Å; L76-C78 VanDerWaalsContact C-N 3.3Å; L76-A152 HydrophobicContact CD2-CB 4.24Å
77Q95.8Very high95Very high108 Ų10860.8 Ų60.851%0.50531%0.305SS..THydrogen-bonded Turntrans-74.3-22.2177.1-53.3-55.3-52.900112.5E73 W74 A75 V79E73-Q77 PolarHBondContact O-NE2 3.23Å; W74-Q77 HydrophobicContact CD2-CG 4.36Å; W74-Q77 HydrophobicContact CE3-CB 4.26Å; W74-Q77 HydrophobicContact CE3-CG 3.66Å; W74-Q77 HydrophobicContact CZ3-CB 4.34Å; W74-Q77 HydrophobicContact CZ3-CG 3.9Å; W74-Q77 VanDerWaalsContact O-CB 3.31Å; W74-Q77 WeakPolarHBondContact O-CB 3.34Å; W74-Q77 WeakPolarHBondContact O-CG 3.4Å; W74-Q77 PolarHBondContact O-N 2.99Å; A75-Q77 PolarHBondContact O-N 2.8Å; A75-Q77 VanDerWaalsContact O-N 3.14Å; Q77-V79 HydrophobicContact CB-CG2 4.04Å; Q77-V79 WeakPolarHBondContact O-CG2 3.24Å; Q77-V79 PolarHBondContact O-N 3.38Å; Q77-V79 VanDerWaalsContact O-N 3.15Å
78C95.3Very high94.7Very high36 Ų3661.8 Ų61.824%0.24331%0.309CS..  trans52.834.3-179.5-72.30000114.5A75 L76 C154A75-C78 PolarHBondContact O-N 3.38Å; A75-C78 VanDerWaalsContact O-N 3.12Å; L76-C78 VanDerWaalsContact C-N 3.3Å; C78-C154 VanDerWaalsContact CA-SG 3.52Å; C78-C154 HydrophobicContact CB-CB 3.67Å; C78-C154 WeakPolarHBondContact CB-SG 3.31Å; C78-C154 WeakPolarHBondContact SG-CA 3.38Å; C78-C154 WeakPolarHBondContact SG-CB 3.48Å; C78-C154 CovalentContact SG-SG 2.03Å; C78-C154 PolarHBondContact SG-SG 3.44Å
79V93.3Very high94.2Very high48 Ų4869 Ų6929%0.29134%0.34SS..  trans-102.9132.3179.5-172.10000110.3Q77 R81 F164Q77-V79 HydrophobicContact CB-CG2 4.04Å; Q77-V79 WeakPolarHBondContact O-CG2 3.24Å; Q77-V79 PolarHBondContact O-N 3.38Å; Q77-V79 VanDerWaalsContact O-N 3.15Å; V79-R81 HydrophobicContact CG1-CG 3.76Å; V79-R81 PolarHBondContact O-N 3.15Å; V79-F164 VanDerWaalsContact O-CZ 3.24Å; V79-F164 WeakPolarHBondContact O-CZ 3.11Å
80P91.2Very high93.8Very high98 Ų9867.6 Ų67.664%0.63635%0.35SS*.SBendtrans-78.253.4-178.534.7-38.1000114.1F102P80-F102 HydrophobicContact CB-CD2 4.5Å; P80-F102 HydrophobicContact CB-CE2 3.69Å; P80-F102 HydrophobicContact CB-CZ 4.36Å
81R94.1Very high93.5Very high126 Ų12668.4 Ų68.448%0.47536%0.357SS..SBendtrans-150.4159.3172.869.7-169177.484.1-3.1111.1W74 V79W74-R81 HydrophobicContact CZ2-CG 4.06Å; W74-R81 VanDerWaalsContact CZ2-O 3.24Å; W74-R81 WeakPolarHBondContact CZ2-O 3.26Å; W74-R81 PolarHBondContact NE1-O 3.24Å; V79-R81 HydrophobicContact CG1-CG 3.76Å; V79-R81 PolarHBondContact O-N 3.15Å
82R94.5Very high93.3Very high105 Ų10575.9 Ų75.940%0.39639%0.389SS..PPolyproline II helixtrans-66.1150.1171-66.6-176.1178.892.84.6110.1Q98 I100 D135R82-Q98 WeakPolarHBondContact CD-O 3.37Å; R82-Q98 PolarHBondContact NE-O 3.39Å; R82-I100 HydrophobicContact CG-CD1 4.37Å; R82-I100 HydrophobicContact CG-CG1 4.23Å; R82-I100 HydrophobicContact CG-CG2 4.34Å; R82-D135 IonicContact CZ-OD1 2.72Å; R82-D135 VanDerWaalsContact NH2-CG 3.33Å; R82-D135 IonicContact NH2-OD1 2.68Å; R82-D135 PolarHBondContact NH2-OD1 2.94Å; R82-D135 IonicContact NH2-OD2 3.39Å; R82-D135 PolarHBondContact NH2-OD2 3.45Å
83S95.1Very high93.1Very high8 Ų876 Ų766%0.05639%0.388CS..PPolyproline II helixtrans-66.1159.6175.3690000111.3R88 Q98S83-R88 PolarHBondContact O-NH1 2.03Å; S83-R88 PolarHBondContact OG-NH1 3.34Å; S83-Q98 PolarHBondContact OG-NE2 3.47Å
84N93.9Very high92.8Very high98 Ų9878.7 Ų78.752%0.52441%0.411SS..PPolyproline II helixtrans-65.4148.2169-80.5-25.9000110T86 M87N84-T86 PolarHBondContact O-N 3.37Å; N84-T86 VanDerWaalsContact O-N 3.09Å; N84-M87 WeakPolarHBondContact O-CB 3.47Å; N84-M87 PolarHBondContact O-N 3.34Å
85M89.7Confident92.6Very high130 Ų13081.4 Ų81.464%0.6442%0.422SS*.G310 helixtrans-56.8-29179.4-67.6-173.6-70.800112.8M87 R88 K89 Y95M85-M87 VanDerWaalsContact C-N 3.27Å; M85-M87 PolarHBondContact O-N 2.98Å; M85-R88 PolarHBondContact O-N 3.31Å; M85-R88 VanDerWaalsContact O-N 3.07Å; M85-K89 PolarHBondContact O-N 3.49Å; M85-Y95 HydrophobicContact SD-CE2 4.32Å
86T90.8Very high92.5Very high89 Ų8981.7 Ų81.755%0.54642%0.424SS..G310 helixtrans-60.8-33.5175.350.90000113N84 R88 K89N84-T86 PolarHBondContact O-N 3.37Å; N84-T86 VanDerWaalsContact O-N 3.09Å; T86-R88 PolarHBondContact O-N 3.31Å; T86-K89 WeakPolarHBondContact O-CB 3.46Å; T86-K89 PolarHBondContact O-N 2.94Å
87M89.7Confident92.5Very high74 Ų7476.4 Ų76.437%0.36540%0.396SS..G310 helixtrans-75-6.2176.6-60-172.370.300113.3W74 N84 M85W74-M87 HydrophobicContact CE3-CE 3.6Å; W74-M87 HydrophobicContact CE3-SD 3.62Å; W74-M87 HydrophobicContact CZ3-CE 3.93Å; W74-M87 HydrophobicContact CZ3-SD 3.48Å; W74-M87 WeakPolarHBondContact CZ3-SD 3.18Å; N84-M87 WeakPolarHBondContact O-CB 3.47Å; N84-M87 PolarHBondContact O-N 3.34Å; M85-M87 VanDerWaalsContact C-N 3.27Å; M85-M87 PolarHBondContact O-N 2.98Å
88R90.3Very high92.6Very high21 Ų2171.7 Ų71.78%0.07937%0.374CS..G310 helixtrans-114.316175.8-54.4-170.5-66.9-86.9-2.7112.1S83 M85 T86 V96 N168S83-R88 PolarHBondContact O-NH1 2.03Å; S83-R88 PolarHBondContact OG-NH1 3.34Å; M85-R88 PolarHBondContact O-N 3.31Å; M85-R88 VanDerWaalsContact O-N 3.07Å; T86-R88 PolarHBondContact O-N 3.31Å; R88-V96 HydrophobicContact CB-CB 3.91Å; R88-V96 HydrophobicContact CB-CG1 4.11Å; R88-V96 PolarHBondContact NE-O 3.47Å; R88-N168 WeakPolarHBondContact CD-OD1 3.48Å
89K88.7Confident92.7Very high151 Ų15170 Ų7066%0.65736%0.362SS*.  trans-81157.5168.9-69.2-175.8176.2-173.70110.1M70 M85 T86M70-K89 WeakPolarHBondContact CE-O 3.31Å; M85-K89 PolarHBondContact O-N 3.49Å; T86-K89 WeakPolarHBondContact O-CB 3.46Å; T86-K89 PolarHBondContact O-N 2.94Å
90G86.5Confident92.9Very high63 Ų6369 Ų6965%0.64936%0.356SS*.SBendtrans93.79.8178.400000114.6
91S90.5Very high93.1Very high25 Ų2564.9 Ų64.918%0.17533%0.329CS..SBendtrans-95.2172.7162.978.30000110W93 V96S91-W93 PolarHBondContact O-N 2.92Å; S91-W93 PolarHBondContact OG-N 3.01Å; S91-V96 VanDerWaalsContact OG-CG2 3.24Å; S91-V96 WeakPolarHBondContact OG-CG2 3.48Å
92K94Very high93.2Very high156 Ų15661 Ų6168%0.67832%0.316SS*.SBendtrans-71.7-6.7175.767.8179.3177.6-176.40114.5H146K92-H146 PolarHBondContact NZ-NE2 2.8Å
93W93.9Very high93.3Very high41 Ų4156.2 Ų56.216%0.15530%0.298CS..SBendtrans-102.9138.5-177.9-58.4-83.6000111.8L67 S91 Y95 V96 H146 G170 P171L67-W93 HydrophobicContact CD1-CE3 4.31Å; L67-W93 HydrophobicContact CD1-CH2 4.09Å; L67-W93 HydrophobicContact CD1-CZ3 3.69Å; L67-W93 HydrophobicContact CD2-CE3 4.12Å; L67-W93 HydrophobicContact CD2-CZ3 3.92Å; L67-W93 HydrophobicContact CG-CE3 4.42Å; L67-W93 HydrophobicContact CG-CH2 4.48Å; L67-W93 HydrophobicContact CG-CZ3 3.75Å; S91-W93 PolarHBondContact O-N 2.92Å; S91-W93 PolarHBondContact OG-N 3.01Å; W93-Y95 PolarHBondContact O-N 2.91Å; W93-V96 HydrophobicContact CB-CG2 4.41Å; W93-H146 HydrophobicContact CH2-CB 3.47Å; W93-H146 VanDerWaalsContact CH2-CB 3.47Å; W93-H146 AromaticContact CH2-CD2 3.77Å; W93-H146 AromaticContact CH2-CG 3.52Å; W93-H146 HydrophobicContact CZ2-CB 3.56Å; W93-H146 AromaticContact CZ2-CD2 3.83Å; W93-H146 AromaticContact CZ2-CE1 3.87Å; W93-H146 AromaticContact CZ2-CG 3.34Å; W93-H146 AromaticContact CZ2-ND1 3.36Å; W93-H146 WeakPolarHBondContact CZ2-ND1 3.48Å; W93-G170 VanDerWaalsContact CD2-CA 3.5Å; W93-P171 VanDerWaalsContact CD1-N 3.34Å
94T91.1Very high93.3Very high154 Ų15458.6 Ų58.695%0.94531%0.314SS*.SBendtrans-62.4-31.3175.1-47.50000112.7
95Y93.1Very high93.3Very high67 Ų6760 Ų6026%0.26332%0.315SS..  trans-134.9129.9177.3-178.7-98.7000110.7M85 W93 G172 K174M85-Y95 HydrophobicContact SD-CE2 4.32Å; W93-Y95 PolarHBondContact O-N 2.91Å; Y95-G172 WeakPolarHBondContact CD1-O 3.34Å; Y95-G172 PolarHBondContact O-N 2.95Å; Y95-K174 HydrophobicContact CD1-CB 3.61Å; Y95-K174 HydrophobicContact CD1-CG 4.2Å; Y95-K174 HydrophobicContact CD2-CG 4.24Å; Y95-K174 VanDerWaalsContact CE1-CA 3.42Å; Y95-K174 HydrophobicContact CE1-CB 3.86Å; Y95-K174 HydrophobicContact CE1-CG 4.45Å; Y95-K174 HydrophobicContact CE2-CG 4.46Å; Y95-K174 HydrophobicContact CG-CB 3.98Å; Y95-K174 HydrophobicContact CG-CD 4.32Å; Y95-K174 HydrophobicContact CG-CG 4.09Å
96V95.8Very high93.7Very high6 Ų653.9 Ų53.94%0.03629%0.285CS..  trans-116.2118.3176.2176.20000108.6L67 R88 S91 W93 N168 Y169L67-V96 HydrophobicContact CD2-CG1 3.74Å; L67-V96 HydrophobicContact CD2-CG2 3.97Å; R88-V96 HydrophobicContact CB-CB 3.91Å; R88-V96 HydrophobicContact CB-CG1 4.11Å; R88-V96 PolarHBondContact NE-O 3.47Å; S91-V96 VanDerWaalsContact OG-CG2 3.24Å; S91-V96 WeakPolarHBondContact OG-CG2 3.48Å; W93-V96 HydrophobicContact CB-CG2 4.41Å; V96-N168 HydrophobicContact CG1-CB 3.76Å; V96-Y169 VanDerWaalsContact CA-O 3.31Å; V96-Y169 WeakPolarHBondContact CA-O 3.31Å
97G95.9Very high93.9Very high0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-76.6161.8176.400000111Q138 N168 Y169 G172G97-Q138 VanDerWaalsContact CA-OE1 3.29Å; G97-N168 CarbonylContact O-C 3.52Å; G97-N168 VanDerWaalsContact O-CA 3.28Å; G97-N168 WeakPolarHBondContact O-CA 3.24Å; G97-Y169 PolarHBondContact N-O 2.93Å; G97-Y169 PolarHBondContact O-N 3.37Å; G97-G172 VanDerWaalsContact N-CA 3.26Å
98Q96.8Very high94.3Very high9 Ų955.7 Ų55.74%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-147.8135179.4-173.4175.179.800112.2R82 S83 I100 V166 C167 N168R82-Q98 WeakPolarHBondContact CD-O 3.37Å; R82-Q98 PolarHBondContact NE-O 3.39Å; S83-Q98 PolarHBondContact OG-NE2 3.47Å; Q98-I100 HydrophobicContact CG-CG2 3.99Å; Q98-V166 HydrophobicContact CG-CG1 3.88Å; Q98-C167 VanDerWaalsContact CA-O 3.3Å; Q98-C167 WeakPolarHBondContact CA-O 3.42Å; Q98-N168 WeakPolarHBondContact CG-OD1 3.46Å; Q98-N168 PolarHBondContact NE2-OD1 3.45Å
99S97.2Very high94.7Very high0 Ų054.7 Ų54.70%028%0.277CS..EExtended strand (participates in β ladder)trans-117.8142.5167.6-63.90000109.7W113 D135 V166 C167S99-W113 VanDerWaalsContact CB-CE2 3.49Å; S99-D135 VanDerWaalsContact CA-OD1 3.25Å; S99-D135 WeakPolarHBondContact CA-OD1 3.45Å; S99-D135 WeakPolarHBondContact CB-OD1 3.23Å; S99-D135 PolarHBondContact OG-OD1 3.25Å; S99-V166 WeakPolarHBondContact O-CA 3.49Å; S99-C167 PolarHBondContact N-O 3.03Å; S99-C167 PolarHBondContact O-N 3.44Å
100I97.1Very high95.2Very high29 Ų2947.5 Ų47.515%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-134.3147.7-179.366.3160.3000110.5R82 Q98 W113 F164 V165 V166R82-I100 HydrophobicContact CG-CD1 4.37Å; R82-I100 HydrophobicContact CG-CG1 4.23Å; R82-I100 HydrophobicContact CG-CG2 4.34Å; Q98-I100 HydrophobicContact CG-CG2 3.99Å; I100-W113 PolarHBondContact O-NE1 2.95Å; I100-F164 HydrophobicContact CB-CE2 3.7Å; I100-F164 HydrophobicContact CB-CZ 4.04Å; I100-F164 HydrophobicContact CD1-CE2 3.99Å; I100-F164 HydrophobicContact CD1-CZ 4.11Å; I100-F164 HydrophobicContact CG1-CE2 4.37Å; I100-F164 HydrophobicContact CG2-CE2 4.22Å; I100-F164 HydrophobicContact CG2-CZ 4.05Å; I100-V165 VanDerWaalsContact CA-O 3.31Å; I100-V165 WeakPolarHBondContact CA-O 3.45Å; I100-V166 HydrophobicContact CG2-CB 4.5Å; I100-V166 HydrophobicContact CG2-CG1 4.21Å; I100-V166 HydrophobicContact CG2-CG2 4.09Å
101A96.8Very high95.7Very high10 Ų1046.7 Ų46.78%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-154.7147.3172.100000110.8V103 A109 V112 W113 F164 V165A101-V103 HydrophobicContact CB-CG1 4.09Å; A101-A109 HydrophobicContact CB-CB 4.18Å; A101-V112 HydrophobicContact CB-CG1 4.46Å; A101-W113 HydrophobicContact CB-CZ2 4.14Å; A101-F164 WeakPolarHBondContact O-CD2 3.37Å; A101-V165 PolarHBondContact N-O 3.44Å; A101-V165 PolarHBondContact O-N 3.25Å
102F96.2Very high96.1Very high46 Ų4648.8 Ų48.820%0.20224%0.242CC..EExtended strand (participates in β ladder)trans-96.6127.8159.9-71.5-85.9000108P80 C154 L157 D161 V163 F164P80-F102 HydrophobicContact CB-CD2 4.5Å; P80-F102 HydrophobicContact CB-CE2 3.69Å; P80-F102 HydrophobicContact CB-CZ 4.36Å; F102-C154 HydrophobicContact CE1-CB 4.32Å; F102-L157 HydrophobicContact CD1-CD1 3.25Å; F102-L157 HydrophobicContact CE1-CD1 3.01Å; F102-L157 HydrophobicContact CE1-CG 4.44Å; F102-L157 HydrophobicContact CG-CD1 4.13Å; F102-L157 HydrophobicContact CZ-CD1 3.75Å; F102-D161 HydrophobicContact CB-CB 4.01Å; F102-V163 WeakPolarHBondContact CA-O 3.14Å; F102-F164 HydrophobicContact CD1-CB 3.89Å; F102-F164 HydrophobicContact CD1-CD2 4.05Å; F102-F164 HydrophobicContact CD1-CG 4.29Å; F102-F164 AromaticContact CD2-CD2 3.92Å; F102-F164 HydrophobicContact CD2-CD2 3.92Å; F102-F164 HydrophobicContact CD2-CE2 4.27Å; F102-F164 HydrophobicContact CE1-CB 3.39Å; F102-F164 HydrophobicContact CE1-CD1 4.45Å; F102-F164 AromaticContact CE1-CD2 3.6Å; F102-F164 HydrophobicContact CE1-CD2 3.6Å; F102-F164 HydrophobicContact CE1-CE2 4.48Å; F102-F164 AromaticContact CE1-CG 3.59Å; F102-F164 HydrophobicContact CE1-CG 3.59Å; F102-F164 AromaticContact CE2-CD2 3.45Å; F102-F164 HydrophobicContact CE2-CD2 3.45Å; F102-F164 VanDerWaalsContact CE2-CD2 3.45Å; F102-F164 AromaticContact CE2-CE2 3.6Å; F102-F164 HydrophobicContact CE2-CE2 3.6Å; F102-F164 HydrophobicContact CE2-CG 4.19Å; F102-F164 HydrophobicContact CE2-CZ 4.48Å; F102-F164 HydrophobicContact CG-CD2 4.2Å; F102-F164 HydrophobicContact CZ-CB 3.92Å; F102-F164 HydrophobicContact CZ-CD1 4.17Å; F102-F164 AromaticContact CZ-CD2 3.29Å; F102-F164 HydrophobicContact CZ-CD2 3.29Å; F102-F164 AromaticContact CZ-CE2 3.74Å; F102-F164 HydrophobicContact CZ-CE2 3.74Å; F102-F164 AromaticContact CZ-CG 3.55Å; F102-F164 HydrophobicContact CZ-CG 3.55Å; F102-F164 HydrophobicContact CZ-CZ 4.39Å
103V96.2Very high96.3Very high3 Ų341.3 Ų41.32%0.01821%0.209CC..EExtended strand (participates in β ladder)trans-144.3162-175.6-70.60000111A101 K105 Q108 A109 V112 V163 V165A101-V103 HydrophobicContact CB-CG1 4.09Å; V103-K105 WeakPolarHBondContact CG2-O 3.35Å; V103-Q108 HydrophobicContact CB-CB 4.07Å; V103-Q108 HydrophobicContact CG1-CB 4.1Å; V103-A109 HydrophobicContact CG1-CB 4.44Å; V103-A109 HydrophobicContact CG2-CB 4.25Å; V103-V112 HydrophobicContact CG1-CG2 4.02Å; V103-V163 HydrophobicContact CG2-CB 4.45Å; V103-V163 PolarHBondContact N-O 3.12Å; V103-V163 VanDerWaalsContact O-CB 3.25Å; V103-V163 WeakPolarHBondContact O-CB 3.14Å; V103-V163 PolarHBondContact O-N 2.04Å; V103-V165 HydrophobicContact CG2-CG2 3.76Å
104P95Very high96.5Very high59 Ų5940 Ų4038%0.38321%0.205SC..SBendtrans-70.9-33.8174.7-1932.4000112.9D161P104-D161 WeakPolarHBondContact CD-OD1 3.43Å; P104-D161 VanDerWaalsContact CG-OD1 3.22Å; P104-D161 WeakPolarHBondContact CG-OD1 3.41Å
105K94.9Very high96.8Very high126 Ų12636.2 Ų36.255%0.54818%0.176SC..SBendtrans-137.6140.7179.6-59.9-179.8179.7179.60110.2V103 R107 Q108V103-K105 WeakPolarHBondContact CG2-O 3.35Å; K105-R107 VanDerWaalsContact C-N 3.28Å; K105-R107 HydrophobicContact CB-CG 4.42Å; K105-R107 PolarHBondContact O-N 2.99Å; K105-R107 VanDerWaalsContact O-N 3.13Å; K105-Q108 HydrophobicContact CB-CG 4.42Å; K105-Q108 WeakPolarHBondContact O-CB 3.49Å; K105-Q108 PolarHBondContact O-N 2.97Å
106V96.6Very high97.1Very high2 Ų233.7 Ų33.71%0.01217%0.167CC..THydrogen-bonded Turntrans-49.1-46.9-175.2177.20000112.8Q29 L33 Q108 A109 Y151 V163 V165Q29-V106 HydrophobicContact CB-CB 4.5Å; Q29-V106 HydrophobicContact CB-CG1 4.28Å; L33-V106 HydrophobicContact CD1-CG1 3.6Å; L33-V106 HydrophobicContact CD2-CG1 4.18Å; L33-V106 HydrophobicContact CG-CG1 3.92Å; V106-Q108 PolarHBondContact O-N 3.34Å; V106-A109 WeakPolarHBondContact O-CB 3.19Å; V106-A109 PolarHBondContact O-N 2.86Å; V106-Y151 HydrophobicContact CG1-CD1 4.19Å; V106-Y151 HydrophobicContact CG1-CG 4.45Å; V106-Y151 HydrophobicContact CG2-CD1 3.85Å; V106-Y151 HydrophobicContact CG2-CD2 3.67Å; V106-Y151 HydrophobicContact CG2-CE1 4.29Å; V106-Y151 HydrophobicContact CG2-CE2 4.13Å; V106-Y151 HydrophobicContact CG2-CG 3.53Å; V106-V163 HydrophobicContact CG2-CG1 3.71Å; V106-V165 HydrophobicContact CB-CG2 4.28Å; V106-V165 HydrophobicContact CG1-CG1 4.27Å; V106-V165 HydrophobicContact CG1-CG2 4.07Å; V106-V165 HydrophobicContact CG2-CG2 4.32Å
107R96.1Very high97.2Very high132 Ų13234.1 Ų34.150%0.49817%0.168SC..THydrogen-bonded Turntrans-55-26.9-179.475179.6-167.2133.25.5114.6E32 L36 K105 A109E32-R107 HydrophobicContact CG-CB 4.3Å; E32-R107 WeakPolarHBondContact OE1-CB 3.38Å; E32-R107 WeakPolarHBondContact OE1-CD 3.06Å; E32-R107 WeakPolarHBondContact OE2-CB 3.15Å; L36-R107 HydrophobicContact CD1-CB 4.14Å; L36-R107 WeakPolarHBondContact CD1-O 3.44Å; K105-R107 VanDerWaalsContact C-N 3.28Å; K105-R107 HydrophobicContact CB-CG 4.42Å; K105-R107 PolarHBondContact O-N 2.99Å; K105-R107 VanDerWaalsContact O-N 3.13Å; R107-A109 VanDerWaalsContact C-N 3.27Å; R107-A109 PolarHBondContact O-N 2.72Å
108Q97.7Very high97.3Very high70 Ų7040 Ų4033%0.32719%0.194SC..Hα-helixtrans-72.1-22-178.2-66.5175.1-91.700112.1V103 K105 V106 A110 S111 V112V103-Q108 HydrophobicContact CB-CB 4.07Å; V103-Q108 HydrophobicContact CG1-CB 4.1Å; K105-Q108 HydrophobicContact CB-CG 4.42Å; K105-Q108 WeakPolarHBondContact O-CB 3.49Å; K105-Q108 PolarHBondContact O-N 2.97Å; V106-Q108 PolarHBondContact O-N 3.34Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 3.4Å; Q108-S111 PolarHBondContact O-N 2.89Å; Q108-S111 VanDerWaalsContact O-N 3.15Å; Q108-V112 WeakPolarHBondContact O-CG2 3.28Å; Q108-V112 PolarHBondContact O-N 3.25Å
109A98.3Very high97.3Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-58.7-44.2179.600000112A101 V103 V106 R107 S111 V112 W113 V165A101-A109 HydrophobicContact CB-CB 4.18Å; V103-A109 HydrophobicContact CG1-CB 4.44Å; V103-A109 HydrophobicContact CG2-CB 4.25Å; V106-A109 WeakPolarHBondContact O-CB 3.19Å; V106-A109 PolarHBondContact O-N 2.86Å; R107-A109 VanDerWaalsContact C-N 3.27Å; R107-A109 PolarHBondContact O-N 2.72Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 3Å; A109-V112 PolarHBondContact O-N 2.89Å; A109-W113 HydrophobicContact CB-CH2 3.96Å; A109-W113 HydrophobicContact CB-CZ2 3.97Å; A109-W113 HydrophobicContact CB-CZ3 4.32Å; A109-W113 VanDerWaalsContact O-CD2 3.23Å; A109-W113 VanDerWaalsContact O-CG 3.28Å; A109-W113 PolarHBondContact O-N 2.82Å; A109-V165 HydrophobicContact CB-CB 3.66Å; A109-V165 HydrophobicContact CB-CG1 3.72Å; A109-V165 HydrophobicContact CB-CG2 3.9Å
110A98.5Very high97.3Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-62.3-3817800000112.4L33 L36 Y40 Q108 F114L33-A110 HydrophobicContact CD2-CB 4.2Å; L36-A110 HydrophobicContact CB-CB 3.84Å; L36-A110 HydrophobicContact CD1-CB 4.1Å; Y40-A110 HydrophobicContact CE2-CB 4.12Å; Q108-A110 VanDerWaalsContact C-N 3.33Å; Q108-A110 PolarHBondContact O-N 3.4Å; A110-F114 VanDerWaalsContact O-CB 3.27Å; A110-F114 WeakPolarHBondContact O-CB 3.31Å; A110-F114 PolarHBondContact O-N 3.47Å
111S98.2Very high97.3Very high45 Ų4543 Ų4332%0.31521%0.21SC..Hα-helixtrans-67.7-46.7174.3174.20000111.4Q108 A109 W113 F114 E115Q108-S111 PolarHBondContact O-N 2.89Å; Q108-S111 VanDerWaalsContact O-N 3.15Å; A109-S111 VanDerWaalsContact C-N 3.31Å; A109-S111 PolarHBondContact O-N 3Å; S111-W113 VanDerWaalsContact C-N 3.28Å; S111-W113 PolarHBondContact O-N 3.35Å; S111-F114 PolarHBondContact O-N 2.88Å; S111-F114 VanDerWaalsContact O-N 3.13Å; S111-E115 WeakPolarHBondContact O-CB 3.25Å; S111-E115 WeakPolarHBondContact O-CG 3.38Å; S111-E115 PolarHBondContact O-N 3.22Å
112V98Very high97.2Very high69 Ų6942.9 Ų42.942%0.41821%0.208SC..Hα-helixtrans-55.5-43.2177.1167.60000111.7A101 V103 Q108 A109A101-V112 HydrophobicContact CB-CG1 4.46Å; V103-V112 HydrophobicContact CG1-CG2 4.02Å; Q108-V112 WeakPolarHBondContact O-CG2 3.28Å; Q108-V112 PolarHBondContact O-N 3.25Å; A109-V112 PolarHBondContact O-N 2.89Å
113W98.2Very high97.1Very high0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-69.7-43.2176.7-60-31.8000112.5H37 S99 I100 A101 A109 S111 Q116 D135 Y136 V165 C167H37-W113 AromaticContact CE1-CE3 3.96Å; H37-W113 AromaticContact CE1-CZ3 3.76Å; H37-W113 AromaticContact NE2-CE3 3.76Å; H37-W113 AromaticContact NE2-CZ3 3.81Å; S99-W113 VanDerWaalsContact CB-CE2 3.49Å; I100-W113 PolarHBondContact O-NE1 2.95Å; A101-W113 HydrophobicContact CB-CZ2 4.14Å; A109-W113 HydrophobicContact CB-CH2 3.96Å; A109-W113 HydrophobicContact CB-CZ2 3.97Å; A109-W113 HydrophobicContact CB-CZ3 4.32Å; A109-W113 VanDerWaalsContact O-CD2 3.23Å; A109-W113 VanDerWaalsContact O-CG 3.28Å; A109-W113 PolarHBondContact O-N 2.82Å; S111-W113 VanDerWaalsContact C-N 3.28Å; S111-W113 PolarHBondContact O-N 3.35Å; W113-Q116 WeakPolarHBondContact O-CB 3.45Å; W113-Q116 PolarHBondContact O-N 2.97Å; W113-D135 HydrophobicContact CB-CB 3.69Å; W113-D135 HydrophobicContact CG-CB 3.6Å; W113-Y136 WeakPolarHBondContact O-CA 3.39Å; W113-Y136 WeakPolarHBondContact O-CB 3.02Å; W113-Y136 PolarHBondContact O-N 2.9Å; W113-V165 HydrophobicContact CH2-CG1 4.07Å; W113-C167 HydrophobicContact CH2-CB 3.77Å; W113-C167 VanDerWaalsContact CH2-SG 3.56Å; W113-C167 HydrophobicContact CZ3-CB 3.78Å; W113-C167 WeakPolarHBondContact CZ3-SG 3.39Å
114F98.6Very high97Very high14 Ų1452.3 Ų52.36%0.06126%0.255CS..Hα-helixtrans-63.2-43.5179.8-178.3-106.5000112.2Y40 I44 V49 A110 S111 Q116 H117 Y136 L139Y40-F114 VanDerWaalsContact CB-CD2 3.49Å; Y40-F114 HydrophobicContact CD1-CB 4.07Å; Y40-F114 AromaticContact CD1-CD1 3.34Å; Y40-F114 HydrophobicContact CD1-CD1 3.34Å; Y40-F114 AromaticContact CD1-CD2 3.5Å; Y40-F114 HydrophobicContact CD1-CD2 3.5Å; Y40-F114 AromaticContact CD1-CE1 3.5Å; Y40-F114 HydrophobicContact CD1-CE1 3.5Å; Y40-F114 VanDerWaalsContact CD1-CE1 3.5Å; Y40-F114 AromaticContact CD1-CE2 3.65Å; Y40-F114 HydrophobicContact CD1-CE2 3.65Å; Y40-F114 AromaticContact CD1-CG 3.32Å; Y40-F114 HydrophobicContact CD1-CG 3.32Å; Y40-F114 AromaticContact CD1-CZ 3.64Å; Y40-F114 HydrophobicContact CD1-CZ 3.64Å; Y40-F114 HydrophobicContact CD2-CB 3.85Å; Y40-F114 HydrophobicContact CD2-CD2 4.14Å; Y40-F114 AromaticContact CD2-CG 3.96Å; Y40-F114 HydrophobicContact CD2-CG 3.96Å; Y40-F114 HydrophobicContact CE1-CB 4.06Å; Y40-F114 AromaticContact CE1-CD1 3.29Å; Y40-F114 HydrophobicContact CE1-CD1 3.29Å; Y40-F114 HydrophobicContact CE1-CD2 4.25Å; Y40-F114 AromaticContact CE1-CE1 3.7Å; Y40-F114 HydrophobicContact CE1-CE1 3.7Å; Y40-F114 AromaticContact CE1-CG 3.59Å; Y40-F114 HydrophobicContact CE1-CG 3.59Å; Y40-F114 HydrophobicContact CE1-CZ 4.32Å; Y40-F114 HydrophobicContact CE2-CB 3.84Å; Y40-F114 HydrophobicContact CE2-CG 4.18Å; Y40-F114 HydrophobicContact CG-CB 3.97Å; Y40-F114 HydrophobicContact CG-CD1 4.07Å; Y40-F114 AromaticContact CG-CD2 3.45Å; Y40-F114 HydrophobicContact CG-CD2 3.45Å; Y40-F114 VanDerWaalsContact CG-CD2 3.45Å; Y40-F114 HydrophobicContact CG-CE1 4.43Å; Y40-F114 AromaticContact CG-CE2 3.87Å; Y40-F114 HydrophobicContact CG-CE2 3.87Å; Y40-F114 AromaticContact CG-CG 3.54Å; Y40-F114 HydrophobicContact CG-CG 3.54Å; Y40-F114 HydrophobicContact CG-CZ 4.33Å; Y40-F114 AromaticContact CZ-CD1 3.98Å; I44-F114 HydrophobicContact CD1-CE2 4.33Å; I44-F114 HydrophobicContact CG1-CE2 4.32Å; V49-F114 HydrophobicContact CB-CZ 4.49Å; V49-F114 HydrophobicContact CG1-CZ 3.97Å; V49-F114 HydrophobicContact CG2-CE2 4.16Å; V49-F114 HydrophobicContact CG2-CZ 3.7Å; A110-F114 VanDerWaalsContact O-CB 3.27Å; A110-F114 WeakPolarHBondContact O-CB 3.31Å; A110-F114 PolarHBondContact O-N 3.47Å; S111-F114 PolarHBondContact O-N 2.88Å; S111-F114 VanDerWaalsContact O-N 3.13Å; F114-Q116 PolarHBondContact O-N 3.28Å; F114-H117 AromaticContact CE1-CD2 3.98Å; F114-H117 WeakPolarHBondContact O-CB 3.15Å; F114-H117 PolarHBondContact O-CD2 2.92Å; F114-H117 PolarHBondContact O-N 2.96Å; F114-Y136 HydrophobicContact CD2-CD2 4.28Å; F114-Y136 HydrophobicContact CD2-CE2 4.3Å; F114-Y136 HydrophobicContact CE2-CE2 4.23Å; F114-L139 HydrophobicContact CB-CD1 4.2Å; F114-L139 HydrophobicContact CD2-CD2 4.03Å
115E98.4Very high96.9Very high73 Ų7350.9 Ų50.934%0.34124%0.244SC..G310 helixtrans-59.9-17.7-179.9-72.8-66.8138.500113.6S111 H117 K118S111-E115 WeakPolarHBondContact O-CB 3.25Å; S111-E115 WeakPolarHBondContact O-CG 3.38Å; S111-E115 PolarHBondContact O-N 3.22Å; E115-H117 PolarHBondContact O-N 2.87Å; E115-H117 VanDerWaalsContact O-N 3.13Å; E115-K118 PolarHBondContact O-N 3.22Å; E115-K118 WeakPolarHBondContact OE2-CE 3.09Å; E115-K118 IonicContact OE2-NZ 2.59Å; E115-K118 PolarHBondContact OE2-NZ 2.68Å
116Q97.8Very high96.9Very high15 Ų1548 Ų487%0.0724%0.237CC..G310 helixtrans-64.8-9.7170.7-60.2-179.24.800113.4W113 F114 K118 N119 T132 C133 D135W113-Q116 WeakPolarHBondContact O-CB 3.45Å; W113-Q116 PolarHBondContact O-N 2.97Å; F114-Q116 PolarHBondContact O-N 3.28Å; Q116-K118 PolarHBondContact O-N 3.27Å; Q116-N119 PolarHBondContact O-N 3.49Å; Q116-T132 WeakPolarHBondContact CB-O 3.29Å; Q116-T132 WeakPolarHBondContact CG-O 3.37Å; Q116-T132 PolarHBondContact NE2-OG1 3.16Å; Q116-C133 VanDerWaalsContact OE1-C 3.23Å; Q116-C133 VanDerWaalsContact OE1-CA 3.3Å; Q116-D135 PolarHBondContact NE2-OD2 2.89Å
117H98.1Very high96.8Very high14 Ų1450.3 Ų50.37%0.06525%0.253CS..G310 helixtrans-54.9-34170.782.784.7000112V49 R50 Q52 F114 E115 N119 Y120 Y136V49-H117 HydrophobicContact CG1-CB 4.26Å; R50-H117 PolarHBondContact O-ND1 2.99Å; Q52-H117 HydrophobicContact CG-CB 4.31Å; Q52-H117 PolarHBondContact NE2-O 2.8Å; F114-H117 AromaticContact CE1-CD2 3.98Å; F114-H117 WeakPolarHBondContact O-CB 3.15Å; F114-H117 PolarHBondContact O-CD2 2.92Å; F114-H117 PolarHBondContact O-N 2.96Å; E115-H117 PolarHBondContact O-N 2.87Å; E115-H117 VanDerWaalsContact O-N 3.13Å; H117-N119 PolarHBondContact O-N 3.28Å; H117-Y120 PolarHBondContact O-N 3.12Å; H117-Y120 VanDerWaalsContact O-N 3.08Å; H117-Y136 HydrophobicContact CB-CD1 4.09Å; H117-Y136 HydrophobicContact CB-CD2 3.5Å; H117-Y136 VanDerWaalsContact CB-CD2 3.5Å; H117-Y136 HydrophobicContact CB-CE1 3.97Å; H117-Y136 HydrophobicContact CB-CE2 3.36Å; H117-Y136 HydrophobicContact CB-CG 3.86Å
118K98.4Very high96.8Very high125 Ų12548.2 Ų48.254%0.54325%0.249SC..G310 helixtrans-63.3-27.4179.1-63.9175.5176.2172.30112.4E115 Q116 E128E115-K118 PolarHBondContact O-N 3.22Å; E115-K118 WeakPolarHBondContact OE2-CE 3.09Å; E115-K118 IonicContact OE2-NZ 2.59Å; E115-K118 PolarHBondContact OE2-NZ 2.68Å; Q116-K118 PolarHBondContact O-N 3.27Å; K118-E128 VanDerWaalsContact O-OE1 3.05Å
119N97.5Very high96.7Very high29 Ų2949 Ų4916%0.15527%0.267CS..G310 helixtrans-94.12.6-179.5-50.1-35.7000112.1Q116 H117 C127 E128 K131 T132Q116-N119 PolarHBondContact O-N 3.49Å; H117-N119 PolarHBondContact O-N 3.28Å; N119-C127 CarbonylContact O-C 3.51Å; N119-C127 VanDerWaalsContact O-CA 3.24Å; N119-C127 WeakPolarHBondContact O-CA 3.32Å; N119-E128 HydrophobicContact CB-CB 4.38Å; N119-E128 PolarHBondContact O-N 2.91Å; N119-K131 HydrophobicContact CB-CB 4Å; N119-K131 HydrophobicContact CB-CD 4.1Å; N119-K131 VanDerWaalsContact CG-CD 3.44Å; N119-K131 WeakPolarHBondContact OD1-CD 3.49Å; N119-K131 PolarHBondContact OD1-NZ 3.44Å; N119-T132 PolarHBondContact ND2-O 3.31Å
120Y97.2Very high96.5Very high8 Ų857.5 Ų57.53%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-110.1118.3-173.9-178.4-123.8000111.2Q52 H117 F122 N125 T126 C133 Y136 K137 P180Q52-Y120 PolarHBondContact NE2-O 3.04Å; H117-Y120 PolarHBondContact O-N 3.12Å; H117-Y120 VanDerWaalsContact O-N 3.08Å; Y120-F122 HydrophobicContact CD1-CB 4.46Å; Y120-F122 HydrophobicContact CD1-CD2 4.44Å; Y120-F122 HydrophobicContact CE1-CB 4.07Å; Y120-F122 AromaticContact CE1-CD2 3.66Å; Y120-F122 HydrophobicContact CE1-CD2 3.66Å; Y120-F122 HydrophobicContact CE1-CE2 4.48Å; Y120-F122 HydrophobicContact CE1-CG 4.17Å; Y120-N125 WeakPolarHBondContact CE2-OD1 3.42Å; Y120-N125 PolarHBondContact OH-OD1 2.91Å; Y120-T126 VanDerWaalsContact CD2-O 3.26Å; Y120-T126 WeakPolarHBondContact CD2-O 3.34Å; Y120-C133 HydrophobicContact CD2-CB 4.24Å; Y120-C133 WeakPolarHBondContact CD2-SG 3.44Å; Y120-C133 HydrophobicContact CG-CB 4.35Å; Y120-Y136 AromaticContact CD1-CD1 3.97Å; Y120-Y136 HydrophobicContact CD1-CD1 3.97Å; Y120-Y136 AromaticContact CD1-CE1 3.58Å; Y120-Y136 HydrophobicContact CD1-CE1 3.58Å; Y120-Y136 HydrophobicContact CE1-CE1 4.26Å; Y120-Y136 HydrophobicContact CG-CD1 4.24Å; Y120-Y136 HydrophobicContact CG-CE1 4.28Å; Y120-K137 HydrophobicContact CD2-CD 4.14Å; Y120-K137 HydrophobicContact CD2-CG 4.29Å; Y120-K137 HydrophobicContact CE1-CG 4.46Å; Y120-K137 HydrophobicContact CE2-CD 3.71Å; Y120-K137 HydrophobicContact CE2-CG 4.11Å; Y120-P180 HydrophobicContact CE1-CG 4.08Å; Y120-P180 WeakPolarHBondContact OH-CD 3.47Å
121N96.2Very high96.4Very high64 Ų6462.3 Ų62.334%0.34233%0.333SS..EExtended strand (participates in β ladder)trans-87.1113.8166.6-179.1-47.6000108.6E123 N124 N125 T126N121-E123 PolarHBondContact OD1-N 3.13Å; N121-N124 VanDerWaalsContact CB-OD1 3.23Å; N121-N124 WeakPolarHBondContact CB-OD1 3.28Å; N121-N124 VanDerWaalsContact CG-CG 3.46Å; N121-N124 PolarHBondContact O-OD1 3.38Å; N121-N124 VanDerWaalsContact OD1-CG 3.31Å; N121-N124 PolarHBondContact OD1-N 3.06Å; N121-N124 PolarHBondContact OD1-OD1 3.04Å; N121-N124 VanDerWaalsContact OD1-OD1 3.07Å; N121-N125 VanDerWaalsContact O-CA 3.27Å; N121-N125 WeakPolarHBondContact O-CA 3.26Å; N121-N125 PolarHBondContact O-N 3.4Å; N121-T126 PolarHBondContact N-O 3.07Å; N121-T126 PolarHBondContact O-N 2.67Å
122F95.5Very high96.1Very high7 Ų764.3 Ų64.33%0.03134%0.344CS..THydrogen-bonded Turntrans-69.3-44.4-177.1-168.4-79.3000112.1P53 Y120 N124 N125 Q179 P180 Y181 P183P53-F122 VanDerWaalsContact CD-CG 3.49Å; P53-F122 HydrophobicContact CG-CB 4.14Å; P53-F122 HydrophobicContact CG-CD1 3.39Å; P53-F122 HydrophobicContact CG-CD2 3.76Å; P53-F122 HydrophobicContact CG-CE1 3.58Å; P53-F122 HydrophobicContact CG-CE2 3.98Å; P53-F122 HydrophobicContact CG-CG 3.48Å; P53-F122 VanDerWaalsContact CG-CG 3.48Å; P53-F122 HydrophobicContact CG-CZ 3.85Å; Y120-F122 HydrophobicContact CD1-CB 4.46Å; Y120-F122 HydrophobicContact CD1-CD2 4.44Å; Y120-F122 HydrophobicContact CE1-CB 4.07Å; Y120-F122 AromaticContact CE1-CD2 3.66Å; Y120-F122 HydrophobicContact CE1-CD2 3.66Å; Y120-F122 HydrophobicContact CE1-CE2 4.48Å; Y120-F122 HydrophobicContact CE1-CG 4.17Å; F122-N124 PolarHBondContact O-N 3.38Å; F122-N125 PolarHBondContact O-N 3.22Å; F122-Q179 HydrophobicContact CD1-CG 4.09Å; F122-Q179 VanDerWaalsContact CD1-NE2 3.34Å; F122-Q179 HydrophobicContact CE1-CB 4.1Å; F122-Q179 HydrophobicContact CE1-CG 3.76Å; F122-Q179 VanDerWaalsContact CE1-NE2 3.29Å; F122-Q179 HydrophobicContact CE2-CB 4.17Å; F122-Q179 HydrophobicContact CE2-CG 4.41Å; F122-Q179 HydrophobicContact CZ-CB 3.78Å; F122-Q179 HydrophobicContact CZ-CG 3.95Å; F122-Q179 PolarHBondContact O-NE2 2.95Å; F122-P180 HydrophobicContact CE2-CG 4.14Å; F122-Y181 HydrophobicContact CD2-CE1 4.29Å; F122-Y181 HydrophobicContact CD2-CE2 4.11Å; F122-Y181 AromaticContact CD2-CZ 3.78Å; F122-Y181 HydrophobicContact CE2-CD1 4.08Å; F122-Y181 AromaticContact CE2-CD2 3.67Å; F122-Y181 HydrophobicContact CE2-CD2 3.67Å; F122-Y181 AromaticContact CE2-CE1 3.65Å; F122-Y181 HydrophobicContact CE2-CE1 3.65Å; F122-Y181 AromaticContact CE2-CE2 3.23Å; F122-Y181 HydrophobicContact CE2-CE2 3.23Å; F122-Y181 HydrophobicContact CE2-CG 4.08Å; F122-Y181 AromaticContact CE2-CZ 3.22Å; F122-Y181 AromaticContact CZ-CD2 3.71Å; F122-Y181 HydrophobicContact CZ-CD2 3.71Å; F122-Y181 AromaticContact CZ-CE2 3.55Å; F122-Y181 HydrophobicContact CZ-CE2 3.55Å; F122-Y181 HydrophobicContact CZ-CG 4.36Å; F122-Y181 VanDerWaalsContact CZ-O 3.25Å; F122-Y181 WeakPolarHBondContact CZ-O 3.27Å; F122-P183 HydrophobicContact CE1-CB 3.7Å; F122-P183 HydrophobicContact CE1-CG 3.71Å; F122-P183 HydrophobicContact CZ-CB 4.04Å; F122-P183 HydrophobicContact CZ-CG 4.25Å
123E93.3Very high96Very high156 Ų15661 Ų6173%0.72932%0.324SS*.THydrogen-bonded Turntrans-58.5-48.8-174.2-63.6177.4172.800112.3N121N121-E123 PolarHBondContact OD1-N 3.13Å
124N93.7Very high95.8Very high90 Ų9063.4 Ų63.448%0.48134%0.343SS..THydrogen-bonded Turntrans-94.9-1.618069.416.2000113.2N121 F122 T126N121-N124 VanDerWaalsContact CB-OD1 3.23Å; N121-N124 WeakPolarHBondContact CB-OD1 3.28Å; N121-N124 VanDerWaalsContact CG-CG 3.46Å; N121-N124 PolarHBondContact O-OD1 3.38Å; N121-N124 VanDerWaalsContact OD1-CG 3.31Å; N121-N124 PolarHBondContact OD1-N 3.06Å; N121-N124 PolarHBondContact OD1-OD1 3.04Å; N121-N124 VanDerWaalsContact OD1-OD1 3.07Å; F122-N124 PolarHBondContact O-N 3.38Å; N124-T126 VanDerWaalsContact C-N 3.33Å; N124-T126 HydrophobicContact CB-CG2 4.42Å; N124-T126 PolarHBondContact ND2-OG1 3.13Å; N124-T126 PolarHBondContact O-N 3.01Å; N124-T126 WeakPolarHBondContact OD1-CB 3.3Å; N124-T126 WeakPolarHBondContact OD1-CG2 3.48Å; N124-T126 PolarHBondContact OD1-N 3.04Å; N124-T126 PolarHBondContact OD1-OG1 2.93Å
125N94.5Very high95.7Very high29 Ų2963.2 Ų63.216%0.15534%0.343CS..THydrogen-bonded Turntrans5542.6-178.6-178.344.8000113.8Y120 N121 F122 K137 A176 N177 R178 Q179Y120-N125 WeakPolarHBondContact CE2-OD1 3.42Å; Y120-N125 PolarHBondContact OH-OD1 2.91Å; N121-N125 VanDerWaalsContact O-CA 3.27Å; N121-N125 WeakPolarHBondContact O-CA 3.26Å; N121-N125 PolarHBondContact O-N 3.4Å; F122-N125 PolarHBondContact O-N 3.22Å; N125-K137 PolarHBondContact OD1-NZ 3.21Å; N125-A176 PolarHBondContact ND2-O 2.03Å; N125-N177 WeakPolarHBondContact ND2-CA 3.5Å; N125-N177 PolarHBondContact ND2-O 3.33Å; N125-R178 PolarHBondContact ND2-N 2.91Å; N125-R178 PolarHBondContact OD1-O 2.85Å; N125-Q179 HydrophobicContact CB-CG 4.26Å
126T94.6Very high95.6Very high65 Ų6559.8 Ų59.840%0.39933%0.327SS..EExtended strand (participates in β ladder)trans-116.1154178.665.50000112.3Y120 N121 N124Y120-T126 VanDerWaalsContact CD2-O 3.26Å; Y120-T126 WeakPolarHBondContact CD2-O 3.34Å; N121-T126 PolarHBondContact N-O 3.07Å; N121-T126 PolarHBondContact O-N 2.67Å; N124-T126 VanDerWaalsContact C-N 3.33Å; N124-T126 HydrophobicContact CB-CG2 4.42Å; N124-T126 PolarHBondContact ND2-OG1 3.13Å; N124-T126 PolarHBondContact O-N 3.01Å; N124-T126 WeakPolarHBondContact OD1-CB 3.3Å; N124-T126 WeakPolarHBondContact OD1-CG2 3.48Å; N124-T126 PolarHBondContact OD1-N 3.04Å; N124-T126 PolarHBondContact OD1-OG1 2.93Å
127C94.8Very high95.5Very high52 Ų5260.2 Ų60.235%0.35133%0.329SS..EExtended strand (participates in β ladder)trans-91.4149163.4-460000109.2N119 C133N119-C127 CarbonylContact O-C 3.51Å; N119-C127 VanDerWaalsContact O-CA 3.24Å; N119-C127 WeakPolarHBondContact O-CA 3.32Å; C127-C133 VanDerWaalsContact CA-SG 3.58Å; C127-C133 HydrophobicContact CB-CB 3.84Å; C127-C133 WeakPolarHBondContact CB-SG 3.48Å; C127-C133 WeakPolarHBondContact SG-CB 3.4Å; C127-C133 PolarHBondContact SG-N 3.45Å; C127-C133 CovalentContact SG-SG 2.03Å; C127-C133 PolarHBondContact SG-SG 2.85Å
128E96.1Very high95.5Very high88 Ų8860.1 Ų60.141%0.41133%0.329SS..PPolyproline II helixtrans-50.9144.5166.8-75.9-175.4-137.200111.6K118 N119 N130 K131K118-E128 VanDerWaalsContact O-OE1 3.05Å; N119-E128 HydrophobicContact CB-CB 4.38Å; N119-E128 PolarHBondContact O-N 2.91Å; E128-N130 PolarHBondContact O-N 3.39Å; E128-K131 HydrophobicContact CB-CB 4.15Å; E128-K131 HydrophobicContact CB-CD 4.03Å; E128-K131 HydrophobicContact CB-CG 4.24Å; E128-K131 PolarHBondContact O-N 2.78Å; E128-K131 IonicContact OE1-NZ 3.8Å; E128-K131 WeakPolarHBondContact OE2-CD 3.29Å; E128-K131 WeakPolarHBondContact OE2-CE 3.49Å; E128-K131 IonicContact OE2-NZ 3.69Å; E128-K131 PolarHBondContact OE2-NZ 3.35Å
129A95.4Very high95.4Very high85 Ų8554.2 Ų54.270%0.70230%0.303SS*.THydrogen-bonded Turntrans-55134.8-179.700000111.4K131A129-K131 PolarHBondContact O-N 3.04Å; A129-K131 VanDerWaalsContact O-N 3.13Å
130N94.3Very high95.5Very high179 Ų17952.9 Ų52.996%0.95730%0.296SS*.THydrogen-bonded Turntrans60.313.3-178.3-53.9-46.5000115.6E128E128-N130 PolarHBondContact O-N 3.39Å
131K95.2Very high95.5Very high101 Ų10152.9 Ų52.944%0.43930%0.296SS..  trans-116.8161.8174.4-59.6-166.8-174167.20111.5N119 E128 A129N119-K131 HydrophobicContact CB-CB 4Å; N119-K131 HydrophobicContact CB-CD 4.1Å; N119-K131 VanDerWaalsContact CG-CD 3.44Å; N119-K131 WeakPolarHBondContact OD1-CD 3.49Å; N119-K131 PolarHBondContact OD1-NZ 3.44Å; E128-K131 HydrophobicContact CB-CB 4.15Å; E128-K131 HydrophobicContact CB-CD 4.03Å; E128-K131 HydrophobicContact CB-CG 4.24Å; E128-K131 PolarHBondContact O-N 2.78Å; E128-K131 IonicContact OE1-NZ 3.8Å; E128-K131 WeakPolarHBondContact OE2-CD 3.29Å; E128-K131 WeakPolarHBondContact OE2-CE 3.49Å; E128-K131 IonicContact OE2-NZ 3.69Å; E128-K131 PolarHBondContact OE2-NZ 3.35Å; A129-K131 PolarHBondContact O-N 3.04Å; A129-K131 VanDerWaalsContact O-N 3.13Å
132T92.5Very high95.5Very high87 Ų8750 Ų5053%0.53428%0.281SS..  trans-103.9141.217758.80000110.8Q116 N119Q116-T132 WeakPolarHBondContact CB-O 3.29Å; Q116-T132 WeakPolarHBondContact CG-O 3.37Å; Q116-T132 PolarHBondContact NE2-OG1 3.16Å; N119-T132 PolarHBondContact ND2-O 3.31Å
133C95.6Very high95.5Very high0 Ų053.5 Ų53.50%030%0.3CS..  trans-132.53.2168.2750000114.3Q116 Y120 C127 D135 Y136 K137Q116-C133 VanDerWaalsContact OE1-C 3.23Å; Q116-C133 VanDerWaalsContact OE1-CA 3.3Å; Y120-C133 HydrophobicContact CD2-CB 4.24Å; Y120-C133 WeakPolarHBondContact CD2-SG 3.44Å; Y120-C133 HydrophobicContact CG-CB 4.35Å; C127-C133 VanDerWaalsContact CA-SG 3.58Å; C127-C133 HydrophobicContact CB-CB 3.84Å; C127-C133 WeakPolarHBondContact CB-SG 3.48Å; C127-C133 WeakPolarHBondContact SG-CB 3.4Å; C127-C133 PolarHBondContact SG-N 3.45Å; C127-C133 CovalentContact SG-SG 2.03Å; C127-C133 PolarHBondContact SG-SG 2.85Å; C133-D135 VanDerWaalsContact C-N 3.32Å; C133-D135 PolarHBondContact O-N 3.5Å; C133-Y136 PolarHBondContact O-N 2.97Å; C133-K137 WeakPolarHBondContact O-CG 3.42Å; C133-K137 PolarHBondContact O-N 3.24Å
134A94.2Very high95.7Very high50 Ų5046.1 Ų46.141%0.41327%0.265SS..Hα-helixtrans-63.9-33.6-175.100000113.3Q138A134-Q138 WeakPolarHBondContact O-CB 3.18Å; A134-Q138 PolarHBondContact O-N 2.95Å
135D95.8Very high95.9Very high11 Ų1143.8 Ų43.86%0.05926%0.255CS..Hα-helixtrans-77.1-38.8179.8-57.3-62.4000111.5R82 S99 W113 Q116 C133 K137 Q138 L139R82-D135 IonicContact CZ-OD1 2.72Å; R82-D135 VanDerWaalsContact NH2-CG 3.33Å; R82-D135 IonicContact NH2-OD1 2.68Å; R82-D135 PolarHBondContact NH2-OD1 2.94Å; R82-D135 IonicContact NH2-OD2 3.39Å; R82-D135 PolarHBondContact NH2-OD2 3.45Å; S99-D135 VanDerWaalsContact CA-OD1 3.25Å; S99-D135 WeakPolarHBondContact CA-OD1 3.45Å; S99-D135 WeakPolarHBondContact CB-OD1 3.23Å; S99-D135 PolarHBondContact OG-OD1 3.25Å; W113-D135 HydrophobicContact CB-CB 3.69Å; W113-D135 HydrophobicContact CG-CB 3.6Å; Q116-D135 PolarHBondContact NE2-OD2 2.89Å; C133-D135 VanDerWaalsContact C-N 3.32Å; C133-D135 PolarHBondContact O-N 3.5Å; D135-K137 VanDerWaalsContact C-N 3.35Å; D135-Q138 PolarHBondContact O-N 3.42Å; D135-L139 WeakPolarHBondContact O-CB 3.46Å; D135-L139 PolarHBondContact O-N 3.32Å
136Y97.1Very high96.1Very high0 Ų044.2 Ų44.20%026%0.256CS..Hα-helixtrans-57.7-49.7169.2167.4-106.9000110.6I44 Q52 W113 F114 H117 Y120 C133 Q138 L139 A140I44-Y136 HydrophobicContact CD1-CE2 3.97Å; Q52-Y136 PolarHBondContact OE1-OH 2.97Å; W113-Y136 WeakPolarHBondContact O-CA 3.39Å; W113-Y136 WeakPolarHBondContact O-CB 3.02Å; W113-Y136 PolarHBondContact O-N 2.9Å; F114-Y136 HydrophobicContact CD2-CD2 4.28Å; F114-Y136 HydrophobicContact CD2-CE2 4.3Å; F114-Y136 HydrophobicContact CE2-CE2 4.23Å; H117-Y136 HydrophobicContact CB-CD1 4.09Å; H117-Y136 HydrophobicContact CB-CD2 3.5Å; H117-Y136 VanDerWaalsContact CB-CD2 3.5Å; H117-Y136 HydrophobicContact CB-CE1 3.97Å; H117-Y136 HydrophobicContact CB-CE2 3.36Å; H117-Y136 HydrophobicContact CB-CG 3.86Å; Y120-Y136 AromaticContact CD1-CD1 3.97Å; Y120-Y136 HydrophobicContact CD1-CD1 3.97Å; Y120-Y136 AromaticContact CD1-CE1 3.58Å; Y120-Y136 HydrophobicContact CD1-CE1 3.58Å; Y120-Y136 HydrophobicContact CE1-CE1 4.26Å; Y120-Y136 HydrophobicContact CG-CD1 4.24Å; Y120-Y136 HydrophobicContact CG-CE1 4.28Å; C133-Y136 PolarHBondContact O-N 2.97Å; Y136-Q138 VanDerWaalsContact C-N 3.26Å; Y136-Q138 PolarHBondContact O-N 3.36Å; Y136-L139 PolarHBondContact O-N 3.48Å; Y136-L139 VanDerWaalsContact O-N 3.12Å; Y136-A140 HydrophobicContact CD2-CB 4.45Å; Y136-A140 HydrophobicContact CE1-CB 4.32Å; Y136-A140 HydrophobicContact CE2-CB 4.06Å; Y136-A140 WeakPolarHBondContact O-CB 3.35Å; Y136-A140 PolarHBondContact O-N 2.91Å
137K96.3Very high96.3Very high25 Ų2541.1 Ų41.111%0.10924%0.237CC..Hα-helixtrans-57.5-39.6178.7-73.9-174.964.4164.30112.5Y120 N125 C133 D135 F141 A176 R178 P180Y120-K137 HydrophobicContact CD2-CD 4.14Å; Y120-K137 HydrophobicContact CD2-CG 4.29Å; Y120-K137 HydrophobicContact CE1-CG 4.46Å; Y120-K137 HydrophobicContact CE2-CD 3.71Å; Y120-K137 HydrophobicContact CE2-CG 4.11Å; N125-K137 PolarHBondContact OD1-NZ 3.21Å; C133-K137 WeakPolarHBondContact O-CG 3.42Å; C133-K137 PolarHBondContact O-N 3.24Å; D135-K137 VanDerWaalsContact C-N 3.35Å; K137-F141 WeakPolarHBondContact O-CB 3.42Å; K137-F141 PolarHBondContact O-N 3.24Å; K137-F141 VanDerWaalsContact O-N 3.08Å; K137-A176 PolarHBondContact NZ-O 3.15Å; K137-R178 WeakPolarHBondContact CE-O 3.02Å; K137-R178 PolarHBondContact NZ-O 3.49Å; K137-P180 WeakPolarHBondContact O-CB 3.44Å
138Q96.9Very high96.5Very high12 Ų1238.7 Ų38.76%0.05622%0.22CC..Hα-helixtrans-67.8-43.8176.3178.956.978.900112G97 A134 D135 Y136 A140 F141 Y169G97-Q138 VanDerWaalsContact CA-OE1 3.29Å; A134-Q138 WeakPolarHBondContact O-CB 3.18Å; A134-Q138 PolarHBondContact O-N 2.95Å; D135-Q138 PolarHBondContact O-N 3.42Å; Y136-Q138 VanDerWaalsContact C-N 3.26Å; Y136-Q138 PolarHBondContact O-N 3.36Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.32Å; Q138-F141 WeakPolarHBondContact O-CB 3.09Å; Q138-F141 PolarHBondContact O-N 2.9Å; Q138-Y169 HydrophobicContact CG-CD1 4.26Å; Q138-Y169 HydrophobicContact CG-CD2 3.24Å; Q138-Y169 HydrophobicContact CG-CE1 4.39Å; Q138-Y169 HydrophobicContact CG-CE2 3.4Å; Q138-Y169 VanDerWaalsContact CG-CE2 3.4Å; Q138-Y169 HydrophobicContact CG-CG 3.69Å; Q138-Y169 VanDerWaalsContact NE2-CB 3.29Å
139L97.8Very high96.6Very high1 Ų134.5 Ų34.51%0.00520%0.2CC..Hα-helixtrans-61.6-42176.1179.2157.1000111.4Y40 R41 I44 F114 D135 Y136 F141Y40-L139 HydrophobicContact CD2-CD1 4.16Å; R41-L139 HydrophobicContact CG-CD2 4.4Å; R41-L139 WeakPolarHBondContact CG-O 3.35Å; R41-L139 PolarHBondContact NH1-O 2.95Å; I44-L139 HydrophobicContact CD1-CD2 4.4Å; F114-L139 HydrophobicContact CB-CD1 4.2Å; F114-L139 HydrophobicContact CD2-CD2 4.03Å; D135-L139 WeakPolarHBondContact O-CB 3.46Å; D135-L139 PolarHBondContact O-N 3.32Å; Y136-L139 PolarHBondContact O-N 3.48Å; Y136-L139 VanDerWaalsContact O-N 3.12Å; L139-F141 VanDerWaalsContact C-N 3.25Å; L139-F141 PolarHBondContact O-N 3.07Å
140A97.7Very high96.7Very high0 Ų030.4 Ų30.40%017%0.167CC..THydrogen-bonded Turntrans-79-1.8179.900000113.5I44 M58 Y136 Q138 A142 P180 Y181I44-A140 HydrophobicContact CD1-CB 3.6Å; M58-A140 WeakPolarHBondContact CE-O 3.35Å; Y136-A140 HydrophobicContact CD2-CB 4.45Å; Y136-A140 HydrophobicContact CE1-CB 4.32Å; Y136-A140 HydrophobicContact CE2-CB 4.06Å; Y136-A140 WeakPolarHBondContact O-CB 3.35Å; Y136-A140 PolarHBondContact O-N 2.91Å; Q138-A140 VanDerWaalsContact C-N 3.31Å; Q138-A140 PolarHBondContact O-N 3.32Å; A140-A142 PolarHBondContact O-N 3.33Å; A140-A142 VanDerWaalsContact O-N 3.08Å; A140-P180 HydrophobicContact CB-CB 3.81Å; A140-P180 HydrophobicContact CB-CG 4.03Å; A140-Y181 HydrophobicContact CB-CD1 4.17Å; A140-Y181 HydrophobicContact CB-CE1 4.13Å
141F97.5Very high96.9Very high9 Ų923.9 Ų23.94%0.03913%0.129CC..  trans-70108.9-171.8-171.2-116.9000111.6R41 K137 Q138 L139 D143 T144 G173 R178 P180R41-F141 PolarHBondContact NH1-O 3.21Å; R41-F141 PolarHBondContact NH2-O 3.15Å; K137-F141 WeakPolarHBondContact O-CB 3.42Å; K137-F141 PolarHBondContact O-N 3.24Å; K137-F141 VanDerWaalsContact O-N 3.08Å; Q138-F141 WeakPolarHBondContact O-CB 3.09Å; Q138-F141 PolarHBondContact O-N 2.9Å; L139-F141 VanDerWaalsContact C-N 3.25Å; L139-F141 PolarHBondContact O-N 3.07Å; F141-D143 VanDerWaalsContact C-N 3.35Å; F141-D143 HydrophobicContact CE1-CB 3.69Å; F141-D143 HydrophobicContact CZ-CB 3.78Å; F141-D143 WeakPolarHBondContact CZ-OD2 3.31Å; F141-D143 PolarHBondContact O-N 2.84Å; F141-T144 VanDerWaalsContact CD1-OG1 3.29Å; F141-T144 WeakPolarHBondContact CD1-OG1 3.19Å; F141-T144 WeakPolarHBondContact O-CB 3.36Å; F141-T144 PolarHBondContact O-N 3.24Å; F141-T144 VanDerWaalsContact O-N 3.09Å; F141-T144 PolarHBondContact O-OG1 2.77Å; F141-T144 VanDerWaalsContact O-OG1 3.11Å; F141-G173 VanDerWaalsContact CD1-CA 3.49Å; F141-R178 VanDerWaalsContact CE2-NH2 3.27Å; F141-R178 VanDerWaalsContact CZ-CZ 3.44Å; F141-P180 CarbonylContact C-O 3.6Å; F141-P180 VanDerWaalsContact CA-O 3.29Å; F141-P180 WeakPolarHBondContact CA-O 2.97Å; F141-P180 WeakPolarHBondContact CD2-O 3.35Å
142A96.9Very high96.9Very high4 Ų419.5 Ų19.53%0.03311%0.112CC..THydrogen-bonded Turntrans-55.6-44.1-166.700000113.4R41 L59 A140 T144 P180R41-A142 PolarHBondContact NH2-O 2.72Å; L59-A142 WeakPolarHBondContact CB-O 3.18Å; L59-A142 PolarHBondContact N-O 3.3Å; A140-A142 PolarHBondContact O-N 3.33Å; A140-A142 VanDerWaalsContact O-N 3.08Å; A142-T144 PolarHBondContact O-N 2.95Å; A142-P180 PolarHBondContact N-O 3.02Å
143D95.6Very high97Very high80 Ų8019.9 Ų19.943%0.42811%0.109SC..THydrogen-bonded Turntrans-76.4-9.1-175.6-53-27.8000113.6F141 T145 P171F141-D143 VanDerWaalsContact C-N 3.35Å; F141-D143 HydrophobicContact CE1-CB 3.69Å; F141-D143 HydrophobicContact CZ-CB 3.78Å; F141-D143 WeakPolarHBondContact CZ-OD2 3.31Å; F141-D143 PolarHBondContact O-N 2.84Å; D143-T145 PolarHBondContact O-N 3.09Å; D143-P171 HydrophobicContact CB-CG 4.48Å; D143-P171 WeakPolarHBondContact O-CD 3.43Å; D143-P171 WeakPolarHBondContact O-CG 3.42Å
144T97.9Very high96.9Very high0 Ų020 Ų200%011%0.11CC..  trans-61.9126.6174.6-52.70000108.7R41 L61 F141 A142 H146 Y169 P171R41-T144 PolarHBondContact NH2-O 3.01Å; L61-T144 HydrophobicContact CD2-CG2 3.59Å; L61-T144 VanDerWaalsContact CD2-O 3.25Å; L61-T144 WeakPolarHBondContact CD2-O 3.38Å; F141-T144 VanDerWaalsContact CD1-OG1 3.29Å; F141-T144 WeakPolarHBondContact CD1-OG1 3.19Å; F141-T144 WeakPolarHBondContact O-CB 3.36Å; F141-T144 PolarHBondContact O-N 3.24Å; F141-T144 VanDerWaalsContact O-N 3.09Å; F141-T144 PolarHBondContact O-OG1 2.77Å; F141-T144 VanDerWaalsContact O-OG1 3.11Å; A142-T144 PolarHBondContact O-N 2.95Å; T144-H146 WeakPolarHBondContact CG2-O 3.44Å; T144-Y169 HydrophobicContact CG2-CD1 4.15Å; T144-Y169 HydrophobicContact CG2-CG 4.47Å; T144-P171 PolarHBondContact OG1-O 3.17Å
145T97.8Very high96.6Very high42 Ų4225 Ų2526%0.25812%0.122SC..  trans-110.9-28.2179.347.40000112.4L59 L61 T62 D143 G170L59-T145 HydrophobicContact CD1-CG2 3.53Å; L61-T145 WeakPolarHBondContact CA-O 3.29Å; T62-T145 PolarHBondContact N-O 3.12Å; T62-T145 PolarHBondContact OG1-O 3.34Å; D143-T145 PolarHBondContact O-N 3.09Å; T145-G170 PolarHBondContact N-O 3.01Å; T145-G170 VanDerWaalsContact N-O 3.1Å; T145-G170 PolarHBondContact OG1-O 2.94Å; T145-G170 VanDerWaalsContact OG1-O 3.13Å
146H98.4Very high96Very high38 Ų3832.3 Ų32.318%0.17616%0.161CC..EExtended strand (participates in β ladder)trans-129.9146.1-174.6-58.859.5000111.5T62 L67 K92 W93 T144 Y169 G170T62-H146 VanDerWaalsContact O-CA 3.28Å; T62-H146 WeakPolarHBondContact O-CA 3.27Å; T62-H146 PolarHBondContact OG1-CD2 3.02Å; L67-H146 HydrophobicContact CD1-CB 4.21Å; K92-H146 PolarHBondContact NZ-NE2 2.8Å; W93-H146 HydrophobicContact CH2-CB 3.47Å; W93-H146 VanDerWaalsContact CH2-CB 3.47Å; W93-H146 AromaticContact CH2-CD2 3.77Å; W93-H146 AromaticContact CH2-CG 3.52Å; W93-H146 HydrophobicContact CZ2-CB 3.56Å; W93-H146 AromaticContact CZ2-CD2 3.83Å; W93-H146 AromaticContact CZ2-CE1 3.87Å; W93-H146 AromaticContact CZ2-CG 3.34Å; W93-H146 AromaticContact CZ2-ND1 3.36Å; W93-H146 WeakPolarHBondContact CZ2-ND1 3.48Å; T144-H146 WeakPolarHBondContact CG2-O 3.44Å; H146-Y169 WeakPolarHBondContact O-CA 3.41Å; H146-G170 PolarHBondContact N-O 2.95Å; H146-G170 PolarHBondContact O-N 2.87Å
147I98.5Very high95.1Very high0 Ų034.9 Ų34.90%018%0.175CC..EExtended strand (participates in β ladder)trans-133145.3174-173.1177.2000109.4L34 H37 L61 T62 W63 S64 C167 N168 Y169L34-I147 HydrophobicContact CD1-CG2 3.42Å; L34-I147 VanDerWaalsContact CD1-CG2 3.42Å; H37-I147 HydrophobicContact CB-CD1 4.49Å; L61-I147 HydrophobicContact CB-CG2 3.99Å; L61-I147 HydrophobicContact CD1-CB 4.1Å; L61-I147 HydrophobicContact CD1-CD1 4.32Å; L61-I147 HydrophobicContact CD1-CG2 3.99Å; T62-I147 PolarHBondContact O-N 3.28Å; W63-I147 CarbonylContact C-O 3.52Å; W63-I147 WeakPolarHBondContact CA-O 3.48Å; W63-I147 HydrophobicContact CE3-CG2 4.46Å; S64-I147 PolarHBondContact N-O 3.12Å; I147-C167 HydrophobicContact CD1-CB 4.17Å; I147-C167 HydrophobicContact CG1-CB 4.31Å; I147-N168 WeakPolarHBondContact CA-O 3.28Å; I147-Y169 HydrophobicContact CB-CD1 4.37Å; I147-Y169 HydrophobicContact CD1-CD1 4.12Å; I147-Y169 HydrophobicContact CD1-CE1 3.54Å; I147-Y169 HydrophobicContact CG1-CD1 4.02Å; I147-Y169 HydrophobicContact CG1-CE1 3.93Å
148G98.4Very high94.1Very high0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-144.5135.616600000109.4N168G148-N168 PolarHBondContact N-O 3.14Å; G148-N168 PolarHBondContact O-N 2.81Å
149C98.7Very high93.4Very high0 Ų042.4 Ų42.40%023%0.234CC..EExtended strand (participates in β ladder)trans-124.7160.6-174.2-52.70000111.4N30 L33 W63 A68 V166 C167N30-C149 WeakPolarHBondContact OD1-CB 3.5Å; N30-C149 PolarHBondContact OD1-O 3.34Å; L33-C149 HydrophobicContact CD1-CB 3.61Å; W63-C149 HydrophobicContact CH2-CB 3.91Å; W63-C149 HydrophobicContact CZ3-CB 4.25Å; A68-C149 WeakPolarHBondContact CB-O 3.47Å; C149-V166 CarbonylContact C-O 3.59Å; C149-V166 WeakPolarHBondContact CA-O 3.31Å; C149-V166 WeakPolarHBondContact CB-O 3.25Å; C149-C167 HydrophobicContact CB-CB 4.12Å; C149-C167 WeakPolarHBondContact CB-SG 3.24Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.04Å; C149-C167 PolarHBondContact SG-SG 3.27Å
150G97.9Very high92.8Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-150160.5172.800000109.7V166G150-V166 PolarHBondContact N-O 2.98Å; G150-V166 PolarHBondContact O-N 3.28Å
151Y97.3Very high92.3Very high41 Ų4153.3 Ų53.316%0.16129%0.292CS..EExtended strand (participates in β ladder)trans-147.5154.2-179.465.3-89.9000112Q29 Q72 V106 V163 F164Q29-Y151 HydrophobicContact CB-CE1 3.79Å; Q29-Y151 HydrophobicContact CG-CE1 4.21Å; Q72-Y151 PolarHBondContact NE2-O 2.93Å; Q72-Y151 VanDerWaalsContact OE1-N 3.15Å; Q72-Y151 PolarHBondContact OE1-O 3.03Å; V106-Y151 HydrophobicContact CG1-CD1 4.19Å; V106-Y151 HydrophobicContact CG1-CG 4.45Å; V106-Y151 HydrophobicContact CG2-CD1 3.85Å; V106-Y151 HydrophobicContact CG2-CD2 3.67Å; V106-Y151 HydrophobicContact CG2-CE1 4.29Å; V106-Y151 HydrophobicContact CG2-CE2 4.13Å; V106-Y151 HydrophobicContact CG2-CG 3.53Å; Y151-V163 HydrophobicContact CD2-CG1 4.27Å; Y151-F164 CarbonylContact C-O 3.5Å; Y151-F164 WeakPolarHBondContact CA-O 3.25Å; Y151-F164 WeakPolarHBondContact CB-O 3.49Å
152A95.7Very high92.1Very high10 Ų1056.3 Ų56.38%0.08331%0.305CS..EExtended strand (participates in β ladder)trans-140.6146.8175.300000110.9A75 L76 V163 F164A75-A152 HydrophobicContact CB-CB 4.18Å; A75-A152 VanDerWaalsContact O-CB 3.25Å; A75-A152 WeakPolarHBondContact O-CB 3.43Å; L76-A152 HydrophobicContact CD2-CB 4.24Å; A152-V163 WeakPolarHBondContact O-CA 3.22Å; A152-F164 PolarHBondContact N-O 3.28Å; A152-F164 PolarHBondContact O-N 2.99Å
153M94.4Very high92.1Very high95 Ų9556.9 Ų56.947%0.46831%0.308SS..EExtended strand (participates in β ladder)trans-83118.4168.2-170.369160.700108.6F155 K162 V163M153-F155 HydrophobicContact CB-CE2 4.15Å; M153-F155 HydrophobicContact CB-CZ 4.07Å; M153-F155 HydrophobicContact CE-CE1 4.23Å; M153-F155 HydrophobicContact CG-CD1 4.18Å; M153-F155 HydrophobicContact CG-CD2 4.46Å; M153-F155 HydrophobicContact CG-CE1 3.61Å; M153-F155 HydrophobicContact CG-CE2 3.93Å; M153-F155 HydrophobicContact CG-CZ 3.47Å; M153-F155 VanDerWaalsContact CG-CZ 3.47Å; M153-K162 HydrophobicContact CE-CB 3.8Å; M153-K162 HydrophobicContact CE-CD 4.14Å; M153-K162 HydrophobicContact SD-CB 3.69Å; M153-V163 HydrophobicContact SD-CG2 3.99Å
154C95.2Very high92.1Very high2 Ų253.1 Ų53.11%0.01429%0.288CS..  trans-105.287.8-174.6-61.40000110.2C78 F102 N156 L157 K162 F164C78-C154 VanDerWaalsContact CA-SG 3.52Å; C78-C154 HydrophobicContact CB-CB 3.67Å; C78-C154 WeakPolarHBondContact CB-SG 3.31Å; C78-C154 WeakPolarHBondContact SG-CA 3.38Å; C78-C154 WeakPolarHBondContact SG-CB 3.48Å; C78-C154 CovalentContact SG-SG 2.03Å; C78-C154 PolarHBondContact SG-SG 3.44Å; F102-C154 HydrophobicContact CE1-CB 4.32Å; C154-N156 PolarHBondContact O-N 3.45Å; C154-L157 HydrophobicContact CB-CD1 3.81Å; C154-L157 HydrophobicContact CB-CG 4.11Å; C154-L157 PolarHBondContact O-N 2.93Å; C154-K162 PolarHBondContact N-O 3.24Å; C154-F164 VanDerWaalsContact SG-CB 3.55Å
155F87Confident92.1Very high154 Ų15453.1 Ų53.168%0.67529%0.288SS*.THydrogen-bonded Turntrans-66.5-21-175.2-61.7-75.3000114.5M153 L157M153-F155 HydrophobicContact CB-CE2 4.15Å; M153-F155 HydrophobicContact CB-CZ 4.07Å; M153-F155 HydrophobicContact CE-CE1 4.23Å; M153-F155 HydrophobicContact CG-CD1 4.18Å; M153-F155 HydrophobicContact CG-CD2 4.46Å; M153-F155 HydrophobicContact CG-CE1 3.61Å; M153-F155 HydrophobicContact CG-CE2 3.93Å; M153-F155 HydrophobicContact CG-CZ 3.47Å; M153-F155 VanDerWaalsContact CG-CZ 3.47Å; F155-L157 PolarHBondContact O-N 2.88Å
156N83.2Confident92.2Very high165 Ų16551.1 Ų51.188%0.88228%0.275SS*.THydrogen-bonded Turntrans-74.9-8.6178.7-64.8-10.1000113.2C154C154-N156 PolarHBondContact O-N 3.45Å
157L77.3Confident92.2Very high54 Ų5449.3 Ų49.328%0.28327%0.267SS..SBendtrans-89.9136.4177.7-60.8179000111.2F102 C154 F155F102-L157 HydrophobicContact CD1-CD1 3.25Å; F102-L157 HydrophobicContact CE1-CD1 3.01Å; F102-L157 HydrophobicContact CE1-CG 4.44Å; F102-L157 HydrophobicContact CG-CD1 4.13Å; F102-L157 HydrophobicContact CZ-CD1 3.75Å; C154-L157 HydrophobicContact CB-CD1 3.81Å; C154-L157 HydrophobicContact CB-CG 4.11Å; C154-L157 PolarHBondContact O-N 2.93Å; F155-L157 PolarHBondContact O-N 2.88Å
158T76.5Confident92.2Very high143 Ų14349.3 Ų49.388%0.87727%0.267SS*.  trans-80.4150.3172.154.60000110.1
159G81.9Confident92.1Very high52 Ų5249.3 Ų49.354%0.53627%0.267SS..SBendtrans95.9-168.8179.700000115.3K162G159-K162 WeakPolarHBondContact O-CE 3.09Å
160L84.8Confident92Very high151 Ų15149.3 Ų49.379%0.79127%0.267SS*.SBendtrans-88.2-22.9-175.5-64.1177.1000113.4K162L160-K162 PolarHBondContact O-N 3.24Å
161D88.4Confident91.9Very high80 Ų8051.2 Ų51.243%0.42828%0.28SS..  trans-83.364.9-175.6-63.3-23.4000111.5F102 P104F102-D161 HydrophobicContact CB-CB 4.01Å; P104-D161 WeakPolarHBondContact CD-OD1 3.43Å; P104-D161 VanDerWaalsContact CG-OD1 3.22Å; P104-D161 WeakPolarHBondContact CG-OD1 3.41Å
162K92.6Very high91.8Very high71 Ų7149.5 Ų49.531%0.30927%0.274SS..  trans-89.8-7.6-174.3-63.3-167.3177.4-170.50114.2M153 C154 G159 L160M153-K162 HydrophobicContact CE-CB 3.8Å; M153-K162 HydrophobicContact CE-CD 4.14Å; M153-K162 HydrophobicContact SD-CB 3.69Å; C154-K162 PolarHBondContact N-O 3.24Å; G159-K162 WeakPolarHBondContact O-CE 3.09Å; L160-K162 PolarHBondContact O-N 3.24Å
163V95.8Very high91.2Very high17 Ų1750 Ų5010%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-98.9111.9-179.5-1710000109.7F102 V103 V106 Y151 A152 M153 V165F102-V163 WeakPolarHBondContact CA-O 3.14Å; V103-V163 HydrophobicContact CG2-CB 4.45Å; V103-V163 PolarHBondContact N-O 3.12Å; V103-V163 VanDerWaalsContact O-CB 3.25Å; V103-V163 WeakPolarHBondContact O-CB 3.14Å; V103-V163 PolarHBondContact O-N 2.04Å; V106-V163 HydrophobicContact CG2-CG1 3.71Å; Y151-V163 HydrophobicContact CD2-CG1 4.27Å; A152-V163 WeakPolarHBondContact O-CA 3.22Å; M153-V163 HydrophobicContact SD-CG2 3.99Å; V163-V165 HydrophobicContact CG1-CG2 4Å
164F97.2Very high90Very high0 Ų050.9 Ų50.90%028%0.282CS..EExtended strand (participates in β ladder)trans-83.5119170.5-169.1-148.2000109.5W74 A75 V79 I100 A101 F102 Y151 A152 C154 V166W74-F164 AromaticContact NE1-CZ 3.97Å; A75-F164 HydrophobicContact CB-CD1 4.42Å; A75-F164 WeakPolarHBondContact O-CD1 3.41Å; V79-F164 VanDerWaalsContact O-CZ 3.24Å; V79-F164 WeakPolarHBondContact O-CZ 3.11Å; I100-F164 HydrophobicContact CB-CE2 3.7Å; I100-F164 HydrophobicContact CB-CZ 4.04Å; I100-F164 HydrophobicContact CD1-CE2 3.99Å; I100-F164 HydrophobicContact CD1-CZ 4.11Å; I100-F164 HydrophobicContact CG1-CE2 4.37Å; I100-F164 HydrophobicContact CG2-CE2 4.22Å; I100-F164 HydrophobicContact CG2-CZ 4.05Å; A101-F164 WeakPolarHBondContact O-CD2 3.37Å; F102-F164 HydrophobicContact CD1-CB 3.89Å; F102-F164 HydrophobicContact CD1-CD2 4.05Å; F102-F164 HydrophobicContact CD1-CG 4.29Å; F102-F164 AromaticContact CD2-CD2 3.92Å; F102-F164 HydrophobicContact CD2-CD2 3.92Å; F102-F164 HydrophobicContact CD2-CE2 4.27Å; F102-F164 HydrophobicContact CE1-CB 3.39Å; F102-F164 HydrophobicContact CE1-CD1 4.45Å; F102-F164 AromaticContact CE1-CD2 3.6Å; F102-F164 HydrophobicContact CE1-CD2 3.6Å; F102-F164 HydrophobicContact CE1-CE2 4.48Å; F102-F164 AromaticContact CE1-CG 3.59Å; F102-F164 HydrophobicContact CE1-CG 3.59Å; F102-F164 AromaticContact CE2-CD2 3.45Å; F102-F164 HydrophobicContact CE2-CD2 3.45Å; F102-F164 VanDerWaalsContact CE2-CD2 3.45Å; F102-F164 AromaticContact CE2-CE2 3.6Å; F102-F164 HydrophobicContact CE2-CE2 3.6Å; F102-F164 HydrophobicContact CE2-CG 4.19Å; F102-F164 HydrophobicContact CE2-CZ 4.48Å; F102-F164 HydrophobicContact CG-CD2 4.2Å; F102-F164 HydrophobicContact CZ-CB 3.92Å; F102-F164 HydrophobicContact CZ-CD1 4.17Å; F102-F164 AromaticContact CZ-CD2 3.29Å; F102-F164 HydrophobicContact CZ-CD2 3.29Å; F102-F164 AromaticContact CZ-CE2 3.74Å; F102-F164 HydrophobicContact CZ-CE2 3.74Å; F102-F164 AromaticContact CZ-CG 3.55Å; F102-F164 HydrophobicContact CZ-CG 3.55Å; F102-F164 HydrophobicContact CZ-CZ 4.39Å; Y151-F164 CarbonylContact C-O 3.5Å; Y151-F164 WeakPolarHBondContact CA-O 3.25Å; Y151-F164 WeakPolarHBondContact CB-O 3.49Å; A152-F164 PolarHBondContact N-O 3.28Å; A152-F164 PolarHBondContact O-N 2.99Å; C154-F164 VanDerWaalsContact SG-CB 3.55Å; F164-V166 HydrophobicContact CD1-CG2 4.11Å; F164-V166 HydrophobicContact CE1-CG2 3.71Å; F164-V166 HydrophobicContact CE2-CG2 4.32Å; F164-V166 HydrophobicContact CZ-CG2 3.82Å
165V98.2Very high88.3Confident0 Ų056.4 Ų56.40%030%0.303CS..EExtended strand (participates in β ladder)trans-112.4132.6177.6-173.50000109L33 I100 A101 V103 V106 A109 W113 V163L33-V165 HydrophobicContact CD1-CG1 3.95Å; I100-V165 VanDerWaalsContact CA-O 3.31Å; I100-V165 WeakPolarHBondContact CA-O 3.45Å; A101-V165 PolarHBondContact N-O 3.44Å; A101-V165 PolarHBondContact O-N 3.25Å; V103-V165 HydrophobicContact CG2-CG2 3.76Å; V106-V165 HydrophobicContact CB-CG2 4.28Å; V106-V165 HydrophobicContact CG1-CG1 4.27Å; V106-V165 HydrophobicContact CG1-CG2 4.07Å; V106-V165 HydrophobicContact CG2-CG2 4.32Å; A109-V165 HydrophobicContact CB-CB 3.66Å; A109-V165 HydrophobicContact CB-CG1 3.72Å; A109-V165 HydrophobicContact CB-CG2 3.9Å; W113-V165 HydrophobicContact CH2-CG1 4.07Å; V163-V165 HydrophobicContact CG1-CG2 4Å
166V98.3Very high87Confident0 Ų052.6 Ų52.60%030%0.3CS..EExtended strand (participates in β ladder)trans-125.5130.1177.8-177.80000107.7A71 W74 A75 Q98 S99 I100 C149 G150 F164A71-V166 HydrophobicContact CB-CB 4.18Å; A71-V166 HydrophobicContact CB-CG1 3.93Å; W74-V166 HydrophobicContact CB-CG1 4.44Å; W74-V166 HydrophobicContact CG-CG2 4.47Å; A75-V166 HydrophobicContact CB-CB 4.43Å; A75-V166 HydrophobicContact CB-CG2 3.88Å; Q98-V166 HydrophobicContact CG-CG1 3.88Å; S99-V166 WeakPolarHBondContact O-CA 3.49Å; I100-V166 HydrophobicContact CG2-CB 4.5Å; I100-V166 HydrophobicContact CG2-CG1 4.21Å; I100-V166 HydrophobicContact CG2-CG2 4.09Å; C149-V166 CarbonylContact C-O 3.59Å; C149-V166 WeakPolarHBondContact CA-O 3.31Å; C149-V166 WeakPolarHBondContact CB-O 3.25Å; G150-V166 PolarHBondContact N-O 2.98Å; G150-V166 PolarHBondContact O-N 3.28Å; F164-V166 HydrophobicContact CD1-CG2 4.11Å; F164-V166 HydrophobicContact CE1-CG2 3.71Å; F164-V166 HydrophobicContact CE2-CG2 4.32Å; F164-V166 HydrophobicContact CZ-CG2 3.82Å
167C98.5Very high86.6Confident0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-123.4132.6168.4-71.70000109.8Q98 S99 W113 I147 C149 Y169Q98-C167 VanDerWaalsContact CA-O 3.3Å; Q98-C167 WeakPolarHBondContact CA-O 3.42Å; S99-C167 PolarHBondContact N-O 3.03Å; S99-C167 PolarHBondContact O-N 3.44Å; W113-C167 HydrophobicContact CH2-CB 3.77Å; W113-C167 VanDerWaalsContact CH2-SG 3.56Å; W113-C167 HydrophobicContact CZ3-CB 3.78Å; W113-C167 WeakPolarHBondContact CZ3-SG 3.39Å; I147-C167 HydrophobicContact CD1-CB 4.17Å; I147-C167 HydrophobicContact CG1-CB 4.31Å; C149-C167 HydrophobicContact CB-CB 4.12Å; C149-C167 WeakPolarHBondContact CB-SG 3.24Å; C149-C167 WeakPolarHBondContact SG-CB 3.29Å; C149-C167 CovalentContact SG-SG 2.04Å; C149-C167 PolarHBondContact SG-SG 3.27Å; C167-Y169 HydrophobicContact CB-CE2 3.99Å; C167-Y169 VanDerWaalsContact O-CE2 3.26Å; C167-Y169 WeakPolarHBondContact O-CE2 3.41Å
168N98.2Very high87.1Confident0 Ų054 Ų540%030%0.3CS..EExtended strand (participates in β ladder)trans-106.7143.8175.2-72.5-30.3000110L67 M70 A71 R88 V96 G97 Q98 I147 G148L67-N168 HydrophobicContact CB-CB 4.04Å; L67-N168 HydrophobicContact CD2-CB 4.22Å; L67-N168 PolarHBondContact O-ND2 3.42Å; L67-N168 VanDerWaalsContact O-ND2 3.12Å; M70-N168 WeakPolarHBondContact CB-ND2 3.32Å; A71-N168 WeakPolarHBondContact CA-ND2 3.46Å; A71-N168 PolarHBondContact N-ND2 3.25Å; A71-N168 VanDerWaalsContact N-ND2 3.16Å; R88-N168 WeakPolarHBondContact CD-OD1 3.48Å; V96-N168 HydrophobicContact CG1-CB 3.76Å; G97-N168 CarbonylContact O-C 3.52Å; G97-N168 VanDerWaalsContact O-CA 3.28Å; G97-N168 WeakPolarHBondContact O-CA 3.24Å; Q98-N168 WeakPolarHBondContact CG-OD1 3.46Å; Q98-N168 PolarHBondContact NE2-OD1 3.45Å; I147-N168 WeakPolarHBondContact CA-O 3.28Å; G148-N168 PolarHBondContact N-O 3.14Å; G148-N168 PolarHBondContact O-N 2.81Å
169Y97.8Very high87.9Confident1 Ų149.9 Ų49.90%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-128.1133.2-171.2-55.6-93.4000111.6H37 V96 G97 Q138 T144 H146 I147 C167 P171 G172H37-Y169 AromaticContact CD2-CE1 3.84Å; H37-Y169 AromaticContact NE2-CE1 3.86Å; H37-Y169 AromaticContact NE2-CZ 3.86Å; H37-Y169 PolarHBondContact NE2-OH 2.88Å; V96-Y169 VanDerWaalsContact CA-O 3.31Å; V96-Y169 WeakPolarHBondContact CA-O 3.31Å; G97-Y169 PolarHBondContact N-O 2.93Å; G97-Y169 PolarHBondContact O-N 3.37Å; Q138-Y169 HydrophobicContact CG-CD1 4.26Å; Q138-Y169 HydrophobicContact CG-CD2 3.24Å; Q138-Y169 HydrophobicContact CG-CE1 4.39Å; Q138-Y169 HydrophobicContact CG-CE2 3.4Å; Q138-Y169 VanDerWaalsContact CG-CE2 3.4Å; Q138-Y169 HydrophobicContact CG-CG 3.69Å; Q138-Y169 VanDerWaalsContact NE2-CB 3.29Å; T144-Y169 HydrophobicContact CG2-CD1 4.15Å; T144-Y169 HydrophobicContact CG2-CG 4.47Å; H146-Y169 WeakPolarHBondContact O-CA 3.41Å; I147-Y169 HydrophobicContact CB-CD1 4.37Å; I147-Y169 HydrophobicContact CD1-CD1 4.12Å; I147-Y169 HydrophobicContact CD1-CE1 3.54Å; I147-Y169 HydrophobicContact CG1-CD1 4.02Å; I147-Y169 HydrophobicContact CG1-CE1 3.93Å; C167-Y169 HydrophobicContact CB-CE2 3.99Å; C167-Y169 VanDerWaalsContact O-CE2 3.26Å; C167-Y169 WeakPolarHBondContact O-CE2 3.41Å; Y169-P171 CarbonylContact O-C 3.46Å; Y169-G172 WeakPolarHBondContact O-CA 3.07Å; Y169-G172 PolarHBondContact O-N 3.44Å; Y169-G172 VanDerWaalsContact O-N 3.15Å
170G96.8Very high88.6Confident0 Ų047.5 Ų47.50%025%0.247CC..EExtended strand (participates in β ladder)trans-128.4118.5-176.400000112.9W93 T145 H146W93-G170 VanDerWaalsContact CD2-CA 3.5Å; T145-G170 PolarHBondContact N-O 3.01Å; T145-G170 VanDerWaalsContact N-O 3.1Å; T145-G170 PolarHBondContact OG1-O 2.94Å; T145-G170 VanDerWaalsContact OG1-O 3.13Å; H146-G170 PolarHBondContact N-O 2.95Å; H146-G170 PolarHBondContact O-N 2.87Å
171P95.5Very high89.2Confident40 Ų4040.6 Ų40.626%0.2621%0.21SC..SBendcis-64.9152.2-15.130.5-36.1000111.4W93 D143 T144 Y169W93-P171 VanDerWaalsContact CD1-N 3.34Å; D143-P171 HydrophobicContact CB-CG 4.48Å; D143-P171 WeakPolarHBondContact O-CD 3.43Å; D143-P171 WeakPolarHBondContact O-CG 3.42Å; T144-P171 PolarHBondContact OG1-O 3.17Å; Y169-P171 CarbonylContact O-C 3.46Å
172G93.8Very high89.5Confident4 Ų441.8 Ų41.84%0.04122%0.216CC..  trans-74.3155.8172.500000113.1Y95 G97 Y169 K174Y95-G172 WeakPolarHBondContact CD1-O 3.34Å; Y95-G172 PolarHBondContact O-N 2.95Å; G97-G172 VanDerWaalsContact N-CA 3.26Å; Y169-G172 WeakPolarHBondContact O-CA 3.07Å; Y169-G172 PolarHBondContact O-N 3.44Å; Y169-G172 VanDerWaalsContact O-N 3.15Å; G172-K174 VanDerWaalsContact C-N 3.26Å; G172-K174 PolarHBondContact O-N 2.77Å
173G84.7Confident89.6Confident21 Ų2139.4 Ų39.422%0.21621%0.208CC..  trans-71.180.7168.500000110.2F141 Y175F141-G173 VanDerWaalsContact CD1-CA 3.49Å; G173-Y175 PolarHBondContact O-N 2.93Å
174K68Low89.4Confident114 Ų11439.2 Ų39.250%0.49621%0.206SC..  trans-62.9-22.9-172.4-177.2177.4172.3-168.80114.6Y95 G172Y95-K174 HydrophobicContact CD1-CB 3.61Å; Y95-K174 HydrophobicContact CD1-CG 4.2Å; Y95-K174 HydrophobicContact CD2-CG 4.24Å; Y95-K174 VanDerWaalsContact CE1-CA 3.42Å; Y95-K174 HydrophobicContact CE1-CB 3.86Å; Y95-K174 HydrophobicContact CE1-CG 4.45Å; Y95-K174 HydrophobicContact CE2-CG 4.46Å; Y95-K174 HydrophobicContact CG-CB 3.98Å; Y95-K174 HydrophobicContact CG-CD 4.32Å; Y95-K174 HydrophobicContact CG-CG 4.09Å; G172-K174 VanDerWaalsContact C-N 3.26Å; G172-K174 PolarHBondContact O-N 2.77Å
175Y59.2Low88.4Confident118 Ų11844.1 Ų44.146%0.46323%0.226SC..  trans-117.2101.7-163.3-55.6-83.4000111.2G173 N177 R178G173-Y175 PolarHBondContact O-N 2.93Å; Y175-N177 PolarHBondContact O-N 3.24Å; Y175-N177 VanDerWaalsContact O-N 3.12Å; Y175-R178 PolarHBondContact O-N 3.25Å
176A61Low87Confident74 Ų7450.1 Ų50.161%0.61227%0.265SS*.THydrogen-bonded Turntrans-55.2-25.8166.200000111.6N125 K137 R178N125-A176 PolarHBondContact ND2-O 2.03Å; K137-A176 PolarHBondContact NZ-O 3.15Å; A176-R178 PolarHBondContact O-N 2.91Å
177N73.3Confident85.6Confident153 Ų15359 Ų5982%0.81831%0.306SS*.THydrogen-bonded Turntrans-86.23.8-176.2-59.50.5000114.8N125 Y175N125-N177 WeakPolarHBondContact ND2-CA 3.5Å; N125-N177 PolarHBondContact ND2-O 3.33Å; Y175-N177 PolarHBondContact O-N 3.24Å; Y175-N177 VanDerWaalsContact O-N 3.12Å
178R87.8Confident83.9Confident94 Ų9462.5 Ų62.536%0.35533%0.325SS..SBendtrans-122.6157171.179.4-173.5176.7171.7-13.7112.1N125 K137 F141 Y175 A176N125-R178 PolarHBondContact ND2-N 2.91Å; N125-R178 PolarHBondContact OD1-O 2.85Å; K137-R178 WeakPolarHBondContact CE-O 3.02Å; K137-R178 PolarHBondContact NZ-O 3.49Å; F141-R178 VanDerWaalsContact CE2-NH2 3.27Å; F141-R178 VanDerWaalsContact CZ-CZ 3.44Å; Y175-R178 PolarHBondContact O-N 3.25Å; A176-R178 PolarHBondContact O-N 2.91Å
179Q94.7Very high82.2Confident57 Ų5768.1 Ų68.127%0.26636%0.361SS..  trans-64.2147.8169.6-72.3163.1-24.800110.7F122 N125 Y181F122-Q179 HydrophobicContact CD1-CG 4.09Å; F122-Q179 VanDerWaalsContact CD1-NE2 3.34Å; F122-Q179 HydrophobicContact CE1-CB 4.1Å; F122-Q179 HydrophobicContact CE1-CG 3.76Å; F122-Q179 VanDerWaalsContact CE1-NE2 3.29Å; F122-Q179 HydrophobicContact CE2-CB 4.17Å; F122-Q179 HydrophobicContact CE2-CG 4.41Å; F122-Q179 HydrophobicContact CZ-CB 3.78Å; F122-Q179 HydrophobicContact CZ-CG 3.95Å; F122-Q179 PolarHBondContact O-NE2 2.95Å; N125-Q179 HydrophobicContact CB-CG 4.26Å; Q179-Y181 PolarHBondContact O-N 3.4Å
180P96.3Very high80.8Confident3 Ų377.7 Ų77.72%0.01940%0.399CS..SBendtrans-68.9-20.4-17725.9-33.1000113.7Y120 F122 K137 A140 F141 A142Y120-P180 HydrophobicContact CE1-CG 4.08Å; Y120-P180 WeakPolarHBondContact OH-CD 3.47Å; F122-P180 HydrophobicContact CE2-CG 4.14Å; K137-P180 WeakPolarHBondContact O-CB 3.44Å; A140-P180 HydrophobicContact CB-CB 3.81Å; A140-P180 HydrophobicContact CB-CG 4.03Å; F141-P180 CarbonylContact C-O 3.6Å; F141-P180 VanDerWaalsContact CA-O 3.29Å; F141-P180 WeakPolarHBondContact CA-O 2.97Å; F141-P180 WeakPolarHBondContact CD2-O 3.35Å; A142-P180 PolarHBondContact N-O 3.02Å
181Y96.4Very high78.9Confident6 Ų681.9 Ų81.92%0.02442%0.415CS..SBendtrans-154.9166.5-179.651.8-96.5000109.6I44 P53 A55 M58 F122 A140 Q179I44-Y181 HydrophobicContact CG2-CD1 3.88Å; I44-Y181 HydrophobicContact CG2-CE1 3.35Å; I44-Y181 HydrophobicContact CG2-CE2 4.08Å; I44-Y181 HydrophobicContact CG2-CG 4.46Å; I44-Y181 VanDerWaalsContact CG2-CZ 3.44Å; P53-Y181 HydrophobicContact CG-CE2 4.15Å; P53-Y181 VanDerWaalsContact O-CE2 3.27Å; P53-Y181 WeakPolarHBondContact O-CE2 3.47Å; P53-Y181 PolarHBondContact O-OH 2.73Å; A55-Y181 HydrophobicContact CB-CD1 4.44Å; A55-Y181 HydrophobicContact CB-CD2 3.38Å; A55-Y181 HydrophobicContact CB-CE2 3.84Å; A55-Y181 HydrophobicContact CB-CG 3.71Å; M58-Y181 HydrophobicContact CE-CD1 3.9Å; M58-Y181 HydrophobicContact CE-CG 4.13Å; F122-Y181 HydrophobicContact CD2-CE1 4.29Å; F122-Y181 HydrophobicContact CD2-CE2 4.11Å; F122-Y181 AromaticContact CD2-CZ 3.78Å; F122-Y181 HydrophobicContact CE2-CD1 4.08Å; F122-Y181 AromaticContact CE2-CD2 3.67Å; F122-Y181 HydrophobicContact CE2-CD2 3.67Å; F122-Y181 AromaticContact CE2-CE1 3.65Å; F122-Y181 HydrophobicContact CE2-CE1 3.65Å; F122-Y181 AromaticContact CE2-CE2 3.23Å; F122-Y181 HydrophobicContact CE2-CE2 3.23Å; F122-Y181 HydrophobicContact CE2-CG 4.08Å; F122-Y181 AromaticContact CE2-CZ 3.22Å; F122-Y181 AromaticContact CZ-CD2 3.71Å; F122-Y181 HydrophobicContact CZ-CD2 3.71Å; F122-Y181 AromaticContact CZ-CE2 3.55Å; F122-Y181 HydrophobicContact CZ-CE2 3.55Å; F122-Y181 HydrophobicContact CZ-CG 4.36Å; F122-Y181 VanDerWaalsContact CZ-O 3.25Å; F122-Y181 WeakPolarHBondContact CZ-O 3.27Å; A140-Y181 HydrophobicContact CB-CD1 4.17Å; A140-Y181 HydrophobicContact CB-CE1 4.13Å; Q179-Y181 PolarHBondContact O-N 3.4Å
182D94.9Very high77.2Confident104 Ų10487.4 Ų87.456%0.55644%0.442SS*.PPolyproline II helixtrans-81.2127.7170.8-60.9-40.7000109.5M56M56-D182 HydrophobicContact CB-CB 4.21Å; M56-D182 WeakPolarHBondContact CB-O 3.41Å; M56-D182 PolarHBondContact N-O 2.92Å
183P95.1Very high75.6Confident21 Ų2195.3 Ų95.314%0.13649%0.492CS..EExtended strand (participates in β ladder)trans-77.7152.1179.733.7-37000111.9P53 Q54 F122 Y185P53-P183 HydrophobicContact CB-CB 3.66Å; P53-P183 HydrophobicContact CG-CB 3.7Å; Q54-P183 CarbonylContact O-C 3.43Å; Q54-P183 WeakPolarHBondContact O-CA 3.47Å; F122-P183 HydrophobicContact CE1-CB 3.7Å; F122-P183 HydrophobicContact CE1-CG 3.71Å; F122-P183 HydrophobicContact CZ-CB 4.04Å; F122-P183 HydrophobicContact CZ-CG 4.25Å; P183-Y185 HydrophobicContact CB-CD2 4.41Å; P183-Y185 HydrophobicContact CB-CE1 4.24Å; P183-Y185 HydrophobicContact CB-CE2 3.9Å; P183-Y185 HydrophobicContact CG-CD2 4.06Å; P183-Y185 HydrophobicContact CG-CE1 4.42Å; P183-Y185 HydrophobicContact CG-CE2 3.29Å
184I90.7Very high75.1Confident13 Ų1399 Ų997%0.06751%0.506CS..EExtended strand (participates in β ladder)trans-95.6120.3157.8-65.3163.5000106.8Q54 M56 Y191Q54-I184 HydrophobicContact CB-CB 4.41Å; Q54-I184 HydrophobicContact CG-CD1 4.05Å; Q54-I184 PolarHBondContact O-N 3.37Å; M56-I184 HydrophobicContact CB-CD1 4.48Å; M56-I184 HydrophobicContact CB-CG1 3.97Å; M56-I184 HydrophobicContact CG-CG1 4.45Å; I184-Y191 HydrophobicContact CB-CE2 4.13Å; I184-Y191 HydrophobicContact CD1-CE2 3.47Å; I184-Y191 VanDerWaalsContact CD1-CE2 3.47Å; I184-Y191 WeakPolarHBondContact CD1-OH 3.05Å; I184-Y191 HydrophobicContact CG1-CD2 4.19Å; I184-Y191 HydrophobicContact CG1-CE2 3.56Å; I184-Y191 HydrophobicContact CG2-CD1 4.43Å; I184-Y191 HydrophobicContact CG2-CD2 3.63Å; I184-Y191 HydrophobicContact CG2-CE1 4.26Å; I184-Y191 HydrophobicContact CG2-CE2 3.43Å; I184-Y191 VanDerWaalsContact CG2-CE2 3.43Å; I184-Y191 HydrophobicContact CG2-CG 4.14Å
185Y78.1Confident75.5Confident103 Ų10398.2 Ų98.240%0.40451%0.507SS..PPolyproline II helixtrans-98.8124.5167.9-64.5-66.1000108.7P53 P183 E187 D188P53-Y185 HydrophobicContact CB-CE1 4.47Å; P183-Y185 HydrophobicContact CB-CD2 4.41Å; P183-Y185 HydrophobicContact CB-CE1 4.24Å; P183-Y185 HydrophobicContact CB-CE2 3.9Å; P183-Y185 HydrophobicContact CG-CD2 4.06Å; P183-Y185 HydrophobicContact CG-CE1 4.42Å; P183-Y185 HydrophobicContact CG-CE2 3.29Å; Y185-E187 PolarHBondContact O-N 3.22Å; Y185-D188 WeakPolarHBondContact O-CB 3.32Å; Y185-D188 PolarHBondContact O-N 3.03Å
186P66.9Low76.4Confident127 Ų12797.1 Ų97.183%0.82551%0.509SS*.THydrogen-bonded Turntrans-57.3-21.2-179.4-26.234.1000114.7
187E68.8Low77.3Confident187 Ų18798.5 Ų98.587%0.87450%0.503SS*.THydrogen-bonded Turntrans-92.21.8-178.9-60-176.3-17700113.5Y185 P189Y185-E187 PolarHBondContact O-N 3.22Å; E187-P189 VanDerWaalsContact O-CD 3.27Å; E187-P189 WeakPolarHBondContact O-CD 3.5Å
188D63.8Low77.6Confident72 Ų7295.1 Ų95.139%0.38548%0.483SS..  trans-75.1113.4176.3-173.5-11.1000110.8Y185 Y190 Y191Y185-D188 WeakPolarHBondContact O-CB 3.32Å; Y185-D188 PolarHBondContact O-N 3.03Å; D188-Y190 PolarHBondContact O-N 3.4Å; D188-Y190 WeakPolarHBondContact OD1-CD2 3.43Å; D188-Y190 PolarHBondContact OD1-N 3.17Å; D188-Y191 WeakPolarHBondContact O-CB 3.47Å; D188-Y191 PolarHBondContact O-N 3.03Å; D188-Y191 VanDerWaalsContact O-N 3.13Å
189P63.2Low76.9Confident118 Ų11895.1 Ų95.177%0.76649%0.492SS*.THydrogen-bonded Turntrans-65.7-9.5-177.927.8-35.1000114.1E187E187-P189 VanDerWaalsContact O-CD 3.27Å; E187-P189 WeakPolarHBondContact O-CD 3.5Å
190Y68.3Low75.6Confident203 Ų20397.9 Ų97.980%0.79651%0.508SS*.THydrogen-bonded Turntrans-964.4177-61-79.2000113.8D188 L192D188-Y190 PolarHBondContact O-N 3.4Å; D188-Y190 WeakPolarHBondContact OD1-CD2 3.43Å; D188-Y190 PolarHBondContact OD1-N 3.17Å; Y190-L192 PolarHBondContact O-N 3.34Å
191Y56.3Low74Confident88 Ų88105.2 Ų105.235%0.34555%0.546SS..  trans-76113.2178.8-172.4-105000112I184 D188 P193I184-Y191 HydrophobicContact CB-CE2 4.13Å; I184-Y191 HydrophobicContact CD1-CE2 3.47Å; I184-Y191 VanDerWaalsContact CD1-CE2 3.47Å; I184-Y191 WeakPolarHBondContact CD1-OH 3.05Å; I184-Y191 HydrophobicContact CG1-CD2 4.19Å; I184-Y191 HydrophobicContact CG1-CE2 3.56Å; I184-Y191 HydrophobicContact CG2-CD1 4.43Å; I184-Y191 HydrophobicContact CG2-CD2 3.63Å; I184-Y191 HydrophobicContact CG2-CE1 4.26Å; I184-Y191 HydrophobicContact CG2-CE2 3.43Å; I184-Y191 VanDerWaalsContact CG2-CE2 3.43Å; I184-Y191 HydrophobicContact CG2-CG 4.14Å; D188-Y191 WeakPolarHBondContact O-CB 3.47Å; D188-Y191 PolarHBondContact O-N 3.03Å; D188-Y191 VanDerWaalsContact O-N 3.13Å; Y191-P193 HydrophobicContact CE1-CB 4.33Å
192L60.7Low72.1Confident155 Ų155113.4 Ų113.481%0.81259%0.589SS**  trans-105.4128.8164.5-67.1173.5000108.7Y190Y190-L192 PolarHBondContact O-N 3.34Å
193P58.9Low70.1Confident170 Ų170114.3 Ų114.3100%1.10459%0.592SS**  trans-66.10-172.325.3-33.5000115.2Y191Y191-P193 HydrophobicContact CE1-CB 4.33Å

Retrieved 193 of 193 residues in 186.8 ms (Link to these results)

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