A0A077Z3T5_TRITR Loading...

Diphthine--ammonia ligase

Amidase that catalyzes the last step of diphthamide biosynthesis using ammonium and ATP.

AlphaFold DB , UniProt , Accession A0A077Z3T5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M98.2Very high95.6Very high78 Ų7820.8 Ų20.838%0.38411%0.107SC..  0147.20-72.4178.5-70.400110T26 E123 A124 E149 L151M1-T26 PolarHBondContact O-N 3.28Å; M1-E123 WeakPolarHBondContact CA-OE2 3.44Å; M1-E123 HydrophobicContact CB-CB 4Å; M1-E123 HydrophobicContact CG-CB 4.03Å; M1-E123 HydrophobicContact SD-CB 4.4Å; M1-A124 HydrophobicContact CB-CB 4.4Å; M1-A124 HydrophobicContact CE-CB 4.33Å; M1-A124 HydrophobicContact SD-CB 4.1Å; M1-E149 HydrophobicContact CE-CB 4.39Å; M1-E149 HydrophobicContact SD-CB 4.05Å; M1-E149 HydrophobicContact SD-CG 3.94Å; M1-L151 HydrophobicContact CE-CD1 4.49Å; M1-L151 HydrophobicContact CE-CD2 4.1Å
2K98.8Very high95.6Very high80 Ų8021.1 Ų21.135%0.34811%0.109SC..EExtended strand (participates in β ladder)trans-75.2128163.6-70.7179.5173.5-178.40109.5T26 V28 Q121 E123 A124K2-T26 WeakPolarHBondContact CA-O 2.94Å; K2-V28 HydrophobicContact CB-CG1 4.01Å; K2-V28 HydrophobicContact CB-CG2 4.09Å; K2-V28 HydrophobicContact CD-CG1 4.21Å; K2-V28 HydrophobicContact CG-CG1 3.85Å; K2-Q121 HydrophobicContact CD-CB 4.49Å; K2-Q121 VanDerWaalsContact CD-O 3.27Å; K2-Q121 WeakPolarHBondContact CD-O 3.26Å; K2-E123 PolarHBondContact N-OE2 2.9Å; K2-E123 PolarHBondContact O-N 2.91Å; K2-A124 PolarHBondContact O-N 3.39Å
3V98.8Very high95.6Very high0 Ų020.2 Ų20.20%011%0.105CC..EExtended strand (participates in β ladder)trans-118.1137-171-178.70000110.7L17 H25 T26 P27 V28 A124 A126 L151V3-L17 HydrophobicContact CG1-CD1 4.41Å; V3-H25 HydrophobicContact CG2-CB 3.57Å; V3-T26 PolarHBondContact N-O 3.12Å; V3-P27 WeakPolarHBondContact O-CA 3.2Å; V3-V28 PolarHBondContact O-N 2.7Å; V3-A124 WeakPolarHBondContact CA-O 3.45Å; V3-A124 HydrophobicContact CG2-CB 4.27Å; V3-A126 HydrophobicContact CG1-CB 3.68Å; V3-L151 HydrophobicContact CG1-CD1 4.33Å; V3-L151 HydrophobicContact CG2-CD1 3.79Å
4V98.8Very high95.7Very high0 Ų018.9 Ų18.90%010%0.099CC..EExtended strand (participates in β ladder)trans-94.4127.5159.455.20000109.5C29 A31 M113 A116 V122 A124 V125 A126V4-C29 WeakPolarHBondContact CA-O 3.47Å; V4-A31 HydrophobicContact CG2-CB 3.52Å; V4-M113 HydrophobicContact CG1-SD 3.78Å; V4-M113 HydrophobicContact CG2-CE 4.33Å; V4-A116 HydrophobicContact CB-CB 4.26Å; V4-A116 HydrophobicContact CG1-CB 4.33Å; V4-A116 HydrophobicContact CG2-CB 4.2Å; V4-V122 HydrophobicContact CB-CB 4.45Å; V4-V122 HydrophobicContact CB-CG1 3.96Å; V4-V122 HydrophobicContact CB-CG2 4.41Å; V4-V122 HydrophobicContact CG1-CB 4.35Å; V4-V122 HydrophobicContact CG1-CG1 4.39Å; V4-V122 HydrophobicContact CG1-CG2 3.99Å; V4-A124 PolarHBondContact N-O 2.96Å; V4-V125 HydrophobicContact CG1-CB 4.27Å; V4-V125 HydrophobicContact CG1-CG1 4.32Å; V4-V125 HydrophobicContact CG1-CG2 3.85Å; V4-A126 PolarHBondContact O-N 3.15Å
5G98.4Very high95.9Very high0 Ų018.3 Ų18.30%010%0.095CC..EExtended strand (participates in β ladder)trans-84.8117.5171.200000111.3I7 C29 I30 A31G5-I7 PolarHBondContact O-N 3.09Å; G5-C29 PolarHBondContact N-O 3.48Å; G5-I30 CarbonylContact O-C 3.53Å; G5-I30 VanDerWaalsContact O-CA 3.29Å; G5-I30 WeakPolarHBondContact O-CA 3.43Å; G5-A31 PolarHBondContact O-N 3.45Å
6L96.9Very high96Very high25 Ų2517.1 Ų17.113%0.1319%0.089CC..EExtended strand (participates in β ladder)trans-78.2104.1166.7-174.965.6000108.4S13 L109 V125 A126 V139L6-S13 WeakPolarHBondContact O-CB 3.48Å; L6-L109 HydrophobicContact CD1-CD1 3.93Å; L6-L109 HydrophobicContact CD2-CD1 4.28Å; L6-V125 HydrophobicContact CB-CG1 4.48Å; L6-A126 WeakPolarHBondContact CB-O 3.16Å; L6-A126 PolarHBondContact N-O 3.2Å; L6-V139 HydrophobicContact CD2-CG2 4.49Å
7I95.2Very high96.2Very high4 Ų416.2 Ų16.22%0.0218%0.084CC..  trans-111.8122.4-169.5-60.8-58.4000110.9G5 L17 I30 A31 V71 I74G5-I7 PolarHBondContact O-N 3.09Å; I7-L17 HydrophobicContact CD1-CB 4.46Å; I7-L17 HydrophobicContact CD1-CD2 4.18Å; I7-I30 HydrophobicContact CB-CD1 4.38Å; I7-I30 HydrophobicContact CG1-CB 3.84Å; I7-I30 HydrophobicContact CG1-CD1 4.24Å; I7-I30 HydrophobicContact CG1-CG2 3.82Å; I7-A31 PolarHBondContact N-O 3.4Å; I7-V71 HydrophobicContact CB-CG1 4.24Å; I7-V71 HydrophobicContact CG2-CG1 3.86Å; I7-V71 HydrophobicContact CG2-CG2 4.23Å; I7-I74 HydrophobicContact CG2-CG2 4.25Å
8S90.5Very high96.3Very high34 Ų3415.5 Ų15.524%0.2388%0.081CC..  trans-89.4-21.7168.570.30000112.7G10 S13 Q64 V71S8-G10 PolarHBondContact OG-N 3.43Å; S8-S13 PolarHBondContact N-OG 3.03Å; S8-Q64 PolarHBondContact OG-OE1 2.9Å; S8-V71 VanDerWaalsContact C-CG2 3.48Å; S8-V71 VanDerWaalsContact O-CG2 3.26Å; S8-V71 WeakPolarHBondContact O-CG2 3.39Å
9G87.1Confident96.4Very high1 Ų115.6 Ų15.61%0.018%0.081CC..SBendtrans105-19.3-172.800000113.3I74 V222G9-I74 VanDerWaalsContact CA-CD1 3.46Å; G9-V222 PolarHBondContact O-N 3.41Å
10G92.7Very high96.6Very high2 Ų214.8 Ų14.82%0.0218%0.077CC..SBendtrans-74.8168.8177.200000114.5S8 D12 S13 C14 T220S8-G10 PolarHBondContact OG-N 3.43Å; G10-D12 VanDerWaalsContact C-N 3.3Å; G10-D12 PolarHBondContact O-N 2.93Å; G10-S13 PolarHBondContact O-OG 3.07Å; G10-C14 PolarHBondContact O-N 3.44Å; G10-T220 VanDerWaalsContact CA-O 3.26Å; G10-T220 WeakPolarHBondContact CA-O 3.47Å
11K95.7Very high96.7Very high5 Ų516.8 Ų16.82%0.0229%0.089CC..Hα-helixtrans-55.7-39-176.275.2-167.7-178.1-48.20113.4Y15 L163 M166 L171 A173 L193 C212 Y218 T220 V222K11-Y15 WeakPolarHBondContact O-CB 3.32Å; K11-Y15 PolarHBondContact O-N 3.19Å; K11-L163 HydrophobicContact CD-CD1 4.16Å; K11-M166 HydrophobicContact CB-SD 4.41Å; K11-M166 HydrophobicContact CD-SD 4.1Å; K11-M166 HydrophobicContact CG-SD 4.01Å; K11-L171 HydrophobicContact CB-CD2 4Å; K11-A173 HydrophobicContact CB-CB 4.36Å; K11-L193 HydrophobicContact CB-CD2 4.41Å; K11-L193 HydrophobicContact CD-CD2 3.47Å; K11-L193 VanDerWaalsContact CD-CD2 3.47Å; K11-C212 VanDerWaalsContact CE-O 3.31Å; K11-C212 WeakPolarHBondContact CE-O 3.29Å; K11-C212 PolarHBondContact NZ-O 2.87Å; K11-Y218 WeakPolarHBondContact CE-OH 3.03Å; K11-T220 HydrophobicContact CD-CG2 4.43Å; K11-T220 PolarHBondContact N-OG1 3.28Å; K11-V222 HydrophobicContact CB-CG2 4.34Å
12D95.6Very high96.6Very high24 Ų2419.8 Ų19.813%0.12810%0.103CC..Hα-helixtrans-74.3-46.5-168.1-45-56.7000111.3G10 C14 Y15 N16 G128 I130 L154 M166G10-D12 VanDerWaalsContact C-N 3.3Å; G10-D12 PolarHBondContact O-N 2.93Å; D12-C14 PolarHBondContact O-N 2.98Å; D12-Y15 PolarHBondContact O-N 2.87Å; D12-N16 WeakPolarHBondContact O-CB 3.11Å; D12-N16 PolarHBondContact O-N 2.91Å; D12-G128 VanDerWaalsContact CB-O 3.29Å; D12-G128 WeakPolarHBondContact CB-O 3.37Å; D12-I130 HydrophobicContact CB-CD1 4.43Å; D12-I130 HydrophobicContact CB-CG1 4.5Å; D12-L154 HydrophobicContact CB-CD1 3.99Å; D12-L154 WeakPolarHBondContact O-CD1 3.25Å; D12-M166 WeakPolarHBondContact OD1-CE 3.41Å
13S95.9Very high96.6Very high9 Ų922.8 Ų22.86%0.06311%0.112CC..Hα-helixtrans-61.6-43.4175.965.90000112.4L6 S8 G10 L17L6-S13 WeakPolarHBondContact O-CB 3.48Å; S8-S13 PolarHBondContact N-OG 3.03Å; G10-S13 PolarHBondContact O-OG 3.07Å; S13-L17 PolarHBondContact O-N 3.01Å
14C97.1Very high96.6Very high3 Ų325.6 Ų25.62%0.0214%0.142CC..Hα-helixtrans-67.9-42.9177.4-71.80000112.2G10 D12 L17 C18 V222G10-C14 PolarHBondContact O-N 3.44Å; D12-C14 PolarHBondContact O-N 2.98Å; C14-L17 WeakPolarHBondContact O-CB 3.49Å; C14-L17 PolarHBondContact O-N 3.48Å; C14-C18 PolarHBondContact O-N 3.42Å; C14-C18 PolarHBondContact O-SG 2.87Å; C14-V222 HydrophobicContact CB-CB 4.2Å; C14-V222 HydrophobicContact CB-CG1 4.27Å; C14-V222 HydrophobicContact CB-CG2 3.68Å
15Y98.5Very high96.6Very high9 Ų927.2 Ų27.24%0.03515%0.149CC..Hα-helixtrans-67.8-40.4179.6-172.9-118.7000112.1K11 D12 L17 C18 Q19 L154 L162 M166 S169 L171K11-Y15 WeakPolarHBondContact O-CB 3.32Å; K11-Y15 PolarHBondContact O-N 3.19Å; D12-Y15 PolarHBondContact O-N 2.87Å; Y15-L17 PolarHBondContact O-N 3.2Å; Y15-C18 HydrophobicContact CD2-CB 4.44Å; Y15-C18 WeakPolarHBondContact O-CA 3.07Å; Y15-C18 VanDerWaalsContact O-CB 3.25Å; Y15-C18 WeakPolarHBondContact O-CB 3.37Å; Y15-C18 PolarHBondContact O-N 3.46Å; Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 4.07Å; Y15-Q19 WeakPolarHBondContact O-CG 3.48Å; Y15-Q19 PolarHBondContact O-N 3.07Å; Y15-Q19 PolarHBondContact OH-NE2 2.76Å; Y15-L154 HydrophobicContact CD1-CD1 4.33Å; Y15-L154 HydrophobicContact CD1-CD2 3.58Å; Y15-L154 HydrophobicContact CE1-CD2 3.97Å; Y15-L162 HydrophobicContact CD1-CD1 4.08Å; Y15-L162 HydrophobicContact CE1-CD1 3.69Å; Y15-M166 HydrophobicContact CD1-CE 3.64Å; Y15-M166 HydrophobicContact CD1-CG 3.43Å; Y15-M166 VanDerWaalsContact CD1-CG 3.43Å; Y15-M166 HydrophobicContact CD1-SD 4.37Å; Y15-M166 HydrophobicContact CD2-CB 4.28Å; Y15-M166 HydrophobicContact CD2-CG 3.83Å; Y15-M166 HydrophobicContact CE1-CE 4.47Å; Y15-M166 HydrophobicContact CE1-CG 3.74Å; Y15-M166 HydrophobicContact CE2-CB 4.42Å; Y15-M166 HydrophobicContact CE2-CG 4.13Å; Y15-M166 HydrophobicContact CG-CB 4.39Å; Y15-M166 HydrophobicContact CG-CE 4.09Å; Y15-M166 HydrophobicContact CG-CG 3.49Å; Y15-M166 VanDerWaalsContact CG-CG 3.49Å; Y15-M166 HydrophobicContact CG-SD 4.48Å; Y15-S169 WeakPolarHBondContact CE2-OG 3.22Å; Y15-L171 HydrophobicContact CD2-CD1 4.02Å; Y15-L171 HydrophobicContact CG-CD1 4.27Å
16N98.5Very high96.6Very high0 Ų031.3 Ų31.30%017%0.174CC..Hα-helixtrans-62-33.7174.2-170.370.8000111.8D12 Q19 C20 V127 L151 Y153 L154D12-N16 WeakPolarHBondContact O-CB 3.11Å; D12-N16 PolarHBondContact O-N 2.91Å; N16-Q19 WeakPolarHBondContact O-CB 3.35Å; N16-Q19 PolarHBondContact O-N 2.97Å; N16-C20 PolarHBondContact O-N 2.91Å; N16-C20 PolarHBondContact O-SG 3.23Å; N16-V127 PolarHBondContact ND2-N 3.19Å; N16-V127 VanDerWaalsContact ND2-N 3.14Å; N16-V127 PolarHBondContact ND2-O 3.17Å; N16-L151 PolarHBondContact ND2-O 3.48Å; N16-Y153 WeakPolarHBondContact OD1-CB 3.19Å; N16-Y153 PolarHBondContact OD1-N 2.97Å; N16-L154 HydrophobicContact CB-CD1 4.09Å; N16-L154 HydrophobicContact CB-CD2 4.37Å; N16-L154 HydrophobicContact CB-CG 3.96Å
17L98.6Very high96.7Very high1 Ų131 Ų311%0.00517%0.174CC..Hα-helixtrans-67.5-37.6172-166.266.2000112.1V3 I7 S13 C14 Y15 Q19 C20 V21 P27 I30 L78 A126 I227V3-L17 HydrophobicContact CG1-CD1 4.41Å; I7-L17 HydrophobicContact CD1-CB 4.46Å; I7-L17 HydrophobicContact CD1-CD2 4.18Å; S13-L17 PolarHBondContact O-N 3.01Å; C14-L17 WeakPolarHBondContact O-CB 3.49Å; C14-L17 PolarHBondContact O-N 3.48Å; Y15-L17 PolarHBondContact O-N 3.2Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; L17-C20 WeakPolarHBondContact O-CB 3.3Å; L17-C20 PolarHBondContact O-N 2.96Å; L17-V21 PolarHBondContact O-N 3.1Å; L17-P27 HydrophobicContact CD1-CB 3.97Å; L17-P27 HydrophobicContact CD1-CG 3.67Å; L17-P27 HydrophobicContact CD2-CB 4.44Å; L17-P27 HydrophobicContact CD2-CG 4.49Å; L17-P27 HydrophobicContact CG-CB 4.39Å; L17-P27 HydrophobicContact CG-CG 3.98Å; L17-I30 HydrophobicContact CD2-CG2 4.15Å; L17-L78 HydrophobicContact CD2-CD1 4.12Å; L17-A126 HydrophobicContact CD1-CB 4.04Å; L17-I227 HydrophobicContact CB-CD1 4.18Å; L17-I227 HydrophobicContact CD2-CD1 3.88Å; L17-I227 HydrophobicContact CG-CD1 3.8Å
18C98.6Very high96.9Very high4 Ų432.3 Ų32.33%0.02718%0.182CC..Hα-helixtrans-59.3-45.1170.2-61.50000111.3C14 Y15 C20 V21 E22C14-C18 PolarHBondContact O-N 3.42Å; C14-C18 PolarHBondContact O-SG 2.87Å; Y15-C18 HydrophobicContact CD2-CB 4.44Å; Y15-C18 WeakPolarHBondContact O-CA 3.07Å; Y15-C18 VanDerWaalsContact O-CB 3.25Å; Y15-C18 WeakPolarHBondContact O-CB 3.37Å; Y15-C18 PolarHBondContact O-N 3.46Å; C18-C20 VanDerWaalsContact C-N 3.33Å; C18-C20 PolarHBondContact O-N 3.38Å; C18-V21 WeakPolarHBondContact O-CB 3.25Å; C18-V21 PolarHBondContact O-N 3.25Å; C18-V21 VanDerWaalsContact O-N 3.11Å; C18-E22 PolarHBondContact O-N 3.33Å
19Q98.6Very high97.2Very high17 Ų1730.7 Ų30.78%0.07917%0.171CC..Hα-helixtrans-59.1-43.6175.8-68.9-61.9-64.200111Y15 N16 L17 V21 E22 Y23 Y153 L154Y15-Q19 HydrophobicContact CD1-CG 4.33Å; Y15-Q19 HydrophobicContact CE1-CG 4.07Å; Y15-Q19 WeakPolarHBondContact O-CG 3.48Å; Y15-Q19 PolarHBondContact O-N 3.07Å; Y15-Q19 PolarHBondContact OH-NE2 2.76Å; N16-Q19 WeakPolarHBondContact O-CB 3.35Å; N16-Q19 PolarHBondContact O-N 2.97Å; L17-Q19 VanDerWaalsContact C-N 3.33Å; Q19-V21 PolarHBondContact O-N 2.91Å; Q19-E22 PolarHBondContact NE2-OE2 2.79Å; Q19-E22 WeakPolarHBondContact O-CB 3.23Å; Q19-E22 PolarHBondContact O-N 3.44Å; Q19-Y23 VanDerWaalsContact O-CD2 3.28Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.42Å; Q19-Y23 PolarHBondContact O-N 2.98Å; Q19-Y153 HydrophobicContact CB-CD2 3.76Å; Q19-Y153 HydrophobicContact CB-CG 3.97Å; Q19-L154 HydrophobicContact CG-CD2 4.4Å
20C98.7Very high97.8Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-54.4-41.6174.9-65.60000112.5N16 L17 C18 G24 H25 A126 Y153N16-C20 PolarHBondContact O-N 2.91Å; N16-C20 PolarHBondContact O-SG 3.23Å; L17-C20 WeakPolarHBondContact O-CB 3.3Å; L17-C20 PolarHBondContact O-N 2.96Å; C18-C20 VanDerWaalsContact C-N 3.33Å; C18-C20 PolarHBondContact O-N 3.38Å; C20-G24 PolarHBondContact O-N 2.7Å; C20-H25 HydrophobicContact CB-CB 4.33Å; C20-H25 WeakPolarHBondContact O-CA 3.47Å; C20-H25 WeakPolarHBondContact O-CB 3.46Å; C20-H25 PolarHBondContact O-N 3.38Å; C20-A126 WeakPolarHBondContact SG-CB 3.49Å; C20-Y153 HydrophobicContact CB-CE2 4.45Å
21V98.5Very high98Very high57 Ų5730.6 Ų30.635%0.34517%0.169SC..Hα-helixtrans-67.8-41.9176.4175.10000111.7L17 C18 Q19 Y23 G24 P27 I227L17-V21 PolarHBondContact O-N 3.1Å; C18-V21 WeakPolarHBondContact O-CB 3.25Å; C18-V21 PolarHBondContact O-N 3.25Å; C18-V21 VanDerWaalsContact O-N 3.11Å; Q19-V21 PolarHBondContact O-N 2.91Å; V21-Y23 VanDerWaalsContact C-N 3.29Å; V21-Y23 PolarHBondContact O-N 3.28Å; V21-G24 PolarHBondContact O-N 2.92Å; V21-P27 VanDerWaalsContact CG2-CD 3.44Å; V21-P27 HydrophobicContact CG2-CG 3.54Å; V21-I227 HydrophobicContact CB-CG2 3.87Å; V21-I227 HydrophobicContact CG1-CG2 3.96Å; V21-I227 HydrophobicContact CG2-CD1 4.47Å; V21-I227 HydrophobicContact CG2-CG2 3.84Å
22E98Very high98Very high141 Ų14130.6 Ų30.666%0.65917%0.169SC*.Hα-helixtrans-60.6-37.7177.2-172.4169.3-172.800112.3C18 Q19 G24C18-E22 PolarHBondContact O-N 3.33Å; Q19-E22 PolarHBondContact NE2-OE2 2.79Å; Q19-E22 WeakPolarHBondContact O-CB 3.23Å; Q19-E22 PolarHBondContact O-N 3.44Å; E22-G24 PolarHBondContact O-N 2.61Å
23Y98.3Very high97.8Very high142 Ų14229.8 Ų29.856%0.55717%0.165SC*.THydrogen-bonded Turntrans-79.911.7173.3-77.4-91000113.9Q19 V21 Y153Q19-Y23 VanDerWaalsContact O-CD2 3.28Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.42Å; Q19-Y23 PolarHBondContact O-N 2.98Å; V21-Y23 VanDerWaalsContact C-N 3.29Å; V21-Y23 PolarHBondContact O-N 3.28Å; Y23-Y153 WeakPolarHBondContact CB-OH 3.37Å; Y23-Y153 HydrophobicContact CD1-CE1 4.07Å; Y23-Y153 HydrophobicContact CD2-CD1 4.01Å; Y23-Y153 AromaticContact CD2-CE1 3.61Å; Y23-Y153 HydrophobicContact CD2-CE1 3.61Å; Y23-Y153 HydrophobicContact CD2-CE2 4.41Å; Y23-Y153 AromaticContact CD2-CZ 3.83Å; Y23-Y153 HydrophobicContact CE1-CE1 4.23Å; Y23-Y153 AromaticContact CE2-CD1 3.83Å; Y23-Y153 HydrophobicContact CE2-CD1 3.83Å; Y23-Y153 AromaticContact CE2-CE1 3.81Å; Y23-Y153 HydrophobicContact CE2-CE1 3.81Å; Y23-Y153 AromaticContact CG-CE1 3.76Å; Y23-Y153 HydrophobicContact CG-CE1 3.76Å; Y23-Y153 AromaticContact CG-CZ 3.84Å
24G98.4Very high97.5Very high60 Ų6029.4 Ų29.462%0.61916%0.162SC*.THydrogen-bonded Turntrans80.218.4172.600000114.6C20 V21 E22C20-G24 PolarHBondContact O-N 2.7Å; V21-G24 PolarHBondContact O-N 2.92Å; E22-G24 PolarHBondContact O-N 2.61Å
25H98.7Very high96.8Very high33 Ų3329.3 Ų29.315%0.15316%0.162CC..  trans-89.7160.8171.7-53.3-39.1000112V3 C20 L151 Y153V3-H25 HydrophobicContact CG2-CB 3.57Å; C20-H25 HydrophobicContact CB-CB 4.33Å; C20-H25 WeakPolarHBondContact O-CA 3.47Å; C20-H25 WeakPolarHBondContact O-CB 3.46Å; C20-H25 PolarHBondContact O-N 3.38Å; H25-L151 VanDerWaalsContact CD2-CD1 3.46Å; H25-L151 WeakPolarHBondContact CD2-CD1 3.47Å; H25-Y153 PolarHBondContact CD2-OH 2.91Å; H25-Y153 PolarHBondContact NE2-OH 3.48Å; H25-Y153 VanDerWaalsContact NE2-OH 3.13Å
26T98.7Very high95.8Very high86 Ų8632.6 Ų32.653%0.52818%0.184SC..EExtended strand (participates in β ladder)trans-119.1105-175.9-540000110M1 K2 V3 V28M1-T26 PolarHBondContact O-N 3.28Å; K2-T26 WeakPolarHBondContact CA-O 2.94Å; V3-T26 PolarHBondContact N-O 3.12Å; T26-V28 HydrophobicContact CG2-CG1 4.36Å; T26-V28 PolarHBondContact O-N 3.49Å
27P98.7Very high94.4Very high19 Ų1937.2 Ų37.212%0.12321%0.209CC..EExtended strand (participates in β ladder)trans-58124.3166.6-25.936.6000110.4V3 L17 V21 L80V3-P27 WeakPolarHBondContact O-CA 3.2Å; L17-P27 HydrophobicContact CD1-CB 3.97Å; L17-P27 HydrophobicContact CD1-CG 3.67Å; L17-P27 HydrophobicContact CD2-CB 4.44Å; L17-P27 HydrophobicContact CD2-CG 4.49Å; L17-P27 HydrophobicContact CG-CB 4.39Å; L17-P27 HydrophobicContact CG-CG 3.98Å; V21-P27 VanDerWaalsContact CG2-CD 3.44Å; V21-P27 HydrophobicContact CG2-CG 3.54Å; P27-L80 HydrophobicContact CB-CD1 3.62Å; P27-L80 WeakPolarHBondContact O-CD2 3.43Å
28V98.7Very high92.4Very high32 Ų3237.7 Ų37.719%0.19421%0.214CC..EExtended strand (participates in β ladder)trans-113.1-20.8178.9-65.60000112.9K2 V3 T26 P81 V122K2-V28 HydrophobicContact CB-CG1 4.01Å; K2-V28 HydrophobicContact CB-CG2 4.09Å; K2-V28 HydrophobicContact CD-CG1 4.21Å; K2-V28 HydrophobicContact CG-CG1 3.85Å; V3-V28 PolarHBondContact O-N 2.7Å; T26-V28 HydrophobicContact CG2-CG1 4.36Å; T26-V28 PolarHBondContact O-N 3.49Å; V28-P81 VanDerWaalsContact O-CD 3.27Å; V28-P81 WeakPolarHBondContact O-CD 3.3Å; V28-P81 VanDerWaalsContact O-CG 3.27Å; V28-P81 WeakPolarHBondContact O-CG 3.31Å; V28-V122 HydrophobicContact CG2-CG1 3.45Å; V28-V122 VanDerWaalsContact CG2-CG1 3.45Å
29C98.7Very high90.2Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-156.3165.4171.664.50000109.7V4 G5 P81 Y120V4-C29 WeakPolarHBondContact CA-O 3.47Å; G5-C29 PolarHBondContact N-O 3.48Å; C29-P81 CarbonylContact C-O 3.55Å; C29-P81 VanDerWaalsContact CA-O 3.3Å; C29-P81 WeakPolarHBondContact CA-O 3.43Å; C29-P81 HydrophobicContact CB-CG 3.88Å; C29-P81 WeakPolarHBondContact CB-O 3.4Å; C29-Y120 HydrophobicContact CB-CD2 3.66Å; C29-Y120 HydrophobicContact CB-CE2 3.79Å; C29-Y120 HydrophobicContact CB-CG 4.11Å; C29-Y120 VanDerWaalsContact SG-CD2 3.53Å
30I98.4Very high88Confident0 Ų048.7 Ų48.70%026%0.26CS..EExtended strand (participates in β ladder)trans-114.3155.5163.667.1169.1000109.8G5 I7 L17 V71 I74 L78 L80 P81 I82 L83G5-I30 CarbonylContact O-C 3.53Å; G5-I30 VanDerWaalsContact O-CA 3.29Å; G5-I30 WeakPolarHBondContact O-CA 3.43Å; I7-I30 HydrophobicContact CB-CD1 4.38Å; I7-I30 HydrophobicContact CG1-CB 3.84Å; I7-I30 HydrophobicContact CG1-CD1 4.24Å; I7-I30 HydrophobicContact CG1-CG2 3.82Å; L17-I30 HydrophobicContact CD2-CG2 4.15Å; I30-V71 HydrophobicContact CD1-CG1 3.99Å; I30-I74 HydrophobicContact CD1-CG2 4.42Å; I30-L78 HydrophobicContact CD1-CD1 4.44Å; I30-L78 HydrophobicContact CG2-CD1 3.85Å; I30-L80 HydrophobicContact CG2-CD1 4.18Å; I30-P81 PolarHBondContact N-O 3.07Å; I30-I82 HydrophobicContact CD1-CD1 4.19Å; I30-I82 HydrophobicContact CD1-CG1 4.38Å; I30-I82 HydrophobicContact CG1-CB 3.96Å; I30-I82 HydrophobicContact CG1-CD1 4.28Å; I30-I82 HydrophobicContact CG1-CG1 3.92Å; I30-I82 CarbonylContact O-C 3.54Å; I30-I82 VanDerWaalsContact O-CA 3.3Å; I30-I82 WeakPolarHBondContact O-CA 3.35Å; I30-L83 PolarHBondContact O-N 2.99Å
31A97.8Very high85.3Confident0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-132.7145.6-179.100000110.4V4 G5 I7 L83 L112 M113V4-A31 HydrophobicContact CG2-CB 3.52Å; G5-A31 PolarHBondContact O-N 3.45Å; I7-A31 PolarHBondContact N-O 3.4Å; A31-L83 CarbonylContact C-O 3.56Å; A31-L83 VanDerWaalsContact CA-O 3.24Å; A31-L83 WeakPolarHBondContact CA-O 3.24Å; A31-L83 HydrophobicContact CB-CB 4.46Å; A31-L112 HydrophobicContact CB-CD1 4.35Å; A31-L112 HydrophobicContact CB-CD2 3.97Å; A31-L112 HydrophobicContact CB-CG 4.06Å; A31-M113 HydrophobicContact CB-CE 3.54Å
32Q95.2Very high82.8Confident5 Ų557.6 Ų57.62%0.02330%0.299CS..EExtended strand (participates in β ladder)trans-145.9133.2179.6-175.8-171.834.100110.3V34 H68 V71 L83 R84 R85Q32-V34 HydrophobicContact CG-CG1 3.95Å; Q32-H68 VanDerWaalsContact NE2-CB 3.34Å; Q32-H68 PolarHBondContact NE2-O 2.88Å; Q32-H68 PolarHBondContact OE1-O 2.87Å; Q32-V71 HydrophobicContact CB-CG1 4.26Å; Q32-V71 HydrophobicContact CG-CG1 4.46Å; Q32-L83 PolarHBondContact N-O 2.94Å; Q32-R84 VanDerWaalsContact O-CA 3.3Å; Q32-R84 WeakPolarHBondContact O-CA 3.3Å; Q32-R84 VanDerWaalsContact OE1-CZ 3.3Å; Q32-R85 PolarHBondContact O-N 2.88Å; Q32-R85 VanDerWaalsContact O-N 3.13Å
33L92.1Very high79.8Confident8 Ų854.9 Ų54.94%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-85.7135.2161.7-75173.4000109.8F63 R85 I87 D108 L109 L112L33-F63 HydrophobicContact CB-CD1 4.36Å; L33-F63 HydrophobicContact CB-CD2 4.42Å; L33-F63 HydrophobicContact CB-CG 4.24Å; L33-F63 HydrophobicContact CD1-CD1 4.01Å; L33-F63 HydrophobicContact CD1-CD2 3.77Å; L33-F63 HydrophobicContact CD1-CE1 3.58Å; L33-F63 HydrophobicContact CD1-CE2 3.31Å; L33-F63 HydrophobicContact CD1-CG 4.11Å; L33-F63 HydrophobicContact CD1-CZ 3.22Å; L33-R85 CarbonylContact C-O 3.51Å; L33-R85 VanDerWaalsContact CA-O 3.31Å; L33-R85 WeakPolarHBondContact CA-O 3.45Å; L33-R85 HydrophobicContact CD2-CB 3.83Å; L33-R85 HydrophobicContact CD2-CG 3.94Å; L33-R85 WeakPolarHBondContact CD2-O 3.3Å; L33-I87 HydrophobicContact CB-CD1 4.21Å; L33-I87 HydrophobicContact CB-CG1 3.84Å; L33-I87 HydrophobicContact CD2-CG1 4.48Å; L33-D108 HydrophobicContact CD1-CB 4.39Å; L33-D108 HydrophobicContact CD2-CB 3.77Å; L33-L109 HydrophobicContact CD1-CB 3.85Å; L33-L109 HydrophobicContact CD1-CD1 4.38Å; L33-L112 HydrophobicContact CD2-CD2 3.97Å; L33-L112 HydrophobicContact CG-CD2 3.92Å
34V88.4Confident76.7Confident0 Ų056.1 Ų56.10%031%0.311CS..EExtended strand (participates in β ladder)trans-123.5150-174.3-590000110.9Q32 N39 R84 R85 T86 I87Q32-V34 HydrophobicContact CG-CG1 3.95Å; V34-N39 HydrophobicContact CG2-CB 4.5Å; V34-R84 HydrophobicContact CG1-CB 4.37Å; V34-R84 VanDerWaalsContact CG1-NH2 3.33Å; V34-R85 PolarHBondContact N-O 3.31Å; V34-T86 CarbonylContact O-C 3.59Å; V34-T86 WeakPolarHBondContact O-CA 3.4Å; V34-I87 PolarHBondContact O-N 3.49Å
35P83.7Confident73.6Confident2 Ų258.7 Ų58.71%0.01331%0.31CS..  trans-59.5160.6172.323.6-32.7000112N37 G38 D56 L58P35-N37 PolarHBondContact O-N 3.44Å; P35-G38 PolarHBondContact O-N 2.79Å; P35-D56 HydrophobicContact CG-CB 4.42Å; P35-L58 HydrophobicContact CB-CD1 3.55Å; P35-L58 HydrophobicContact CB-CG 4.4Å
36P76.9Confident71.3Confident77 Ų7762.9 Ų62.950%0.534%0.34SS..THydrogen-bonded Turntrans-45.6-33.6174.3-32.637.1000115.3T86P36-T86 HydrophobicContact CB-CG2 4.37Å; P36-T86 HydrophobicContact CG-CG2 4.4Å
37N68.6Low68.6Low98 Ų9863.4 Ų63.452%0.52434%0.343SS..THydrogen-bonded Turntrans-91.3-8.7178.8-64.6-39000114.6P35 N39P35-N37 PolarHBondContact O-N 3.44Å; N37-N39 VanDerWaalsContact C-N 3.32Å; N37-N39 PolarHBondContact O-N 3.04Å
38G57.7Low66.3Low10 Ų1063.9 Ų63.910%0.10334%0.344CS..THydrogen-bonded Turntrans-79.1-5.3-169.800000116.1P35 H68 R84P35-G38 PolarHBondContact O-N 2.79Å; G38-H68 WeakPolarHBondContact CA-NE2 3.37Å; G38-R84 PolarHBondContact O-NH1 3.32Å
39N52.4Low63.4Low73 Ų7369.1 Ų69.139%0.3937%0.367SS..THydrogen-bonded Turntrans-94.213.2179.8-98.1-13.9000114.3V34 N37 Q41 T86V34-N39 HydrophobicContact CG2-CB 4.5Å; N37-N39 VanDerWaalsContact C-N 3.32Å; N37-N39 PolarHBondContact O-N 3.04Å; N39-Q41 PolarHBondContact O-N 2.96Å; N39-Q41 VanDerWaalsContact O-N 3.1Å; N39-T86 PolarHBondContact ND2-OG1 2.79Å
40R51.9Low60.9Low180 Ų18069.5 Ų69.568%0.67937%0.369SS*.  trans-58.2120.1171.1-70.7-175.3-177.2-168.23.5109.5L42R40-L42 PolarHBondContact O-N 3.25Å
41Q40.7Very low58Low191 Ų19172.8 Ų72.889%0.89339%0.392SS*.  trans-60.9105.7-174.9-164.5126.811.500110.5N39 S43N39-Q41 PolarHBondContact O-N 2.96Å; N39-Q41 VanDerWaalsContact O-N 3.1Å; Q41-S43 PolarHBondContact O-N 3.43Å
42L46.1Very low55.1Low52 Ų5274.1 Ų74.127%0.27240%0.4SS..  trans-64.5113.3168.4-82.2145.7000108.2R40 L48 Q49 P72R40-L42 PolarHBondContact O-N 3.25Å; L42-L48 HydrophobicContact CB-CD2 4.29Å; L42-L48 HydrophobicContact CD2-CD2 4.5Å; L42-Q49 WeakPolarHBondContact CD2-O 3.21Å; L42-P72 HydrophobicContact CD1-CB 4.35Å; L42-P72 HydrophobicContact CD1-CG 4.07Å
43S35.3Very low52Low84 Ų8480 Ų8059%0.58743%0.431SS*.  trans-67.9130177.661.50000110.9Q41 L45 L48Q41-S43 PolarHBondContact O-N 3.43Å; S43-L45 PolarHBondContact O-N 3.05Å; S43-L48 WeakPolarHBondContact O-CD2 3.11Å
44L34.1Very low49.3Very low169 Ų16981.6 Ų81.689%0.88545%0.45SS*.  trans-67.679.3-179-65.2166.5000112.8
45L33.7Very low46.6Very low113 Ų11387.7 Ų87.759%0.59249%0.49SS*.  trans-119.3154.5170-73.5176.2000110.4S43 V47S43-L45 PolarHBondContact O-N 3.05Å; L45-V47 CarbonylContact O-C 3.55Å; L45-V47 PolarHBondContact O-N 3.23Å
46P49.3Very low44.6Very low121 Ų12189 Ų8979%0.78650%0.498SS*.SBendtrans-63.3-15.8-172.622.9-33.3000114.6
47V42.4Very low43.1Very low98 Ų9893.2 Ų93.259%0.59451%0.51SS*.SBendtrans-113.1107.9163.6-178.90000106.3L45L45-V47 CarbonylContact O-C 3.55Å; L45-V47 PolarHBondContact O-N 3.23Å
48L50.2Low42.2Very low29 Ų2991.5 Ų91.515%0.15250%0.501CS..EExtended strand (participates in β ladder)trans-93.1113.6175.5-79.6164.2000107.1L42 S43 F73 F258L42-L48 HydrophobicContact CB-CD2 4.29Å; L42-L48 HydrophobicContact CD2-CD2 4.5Å; S43-L48 WeakPolarHBondContact O-CD2 3.11Å; L48-F73 HydrophobicContact CB-CD1 4.17Å; L48-F73 HydrophobicContact CB-CE1 3.14Å; L48-F73 HydrophobicContact CB-CZ 3.35Å; L48-F73 HydrophobicContact CD1-CD1 3.86Å; L48-F73 HydrophobicContact CD1-CE1 3.66Å; L48-F73 HydrophobicContact CD1-CZ 4.22Å; L48-F73 HydrophobicContact CG-CE1 4.03Å; L48-F73 HydrophobicContact CG-CZ 4.36Å; L48-F258 PolarHBondContact O-N 3.48Å
49Q37.9Very low42.2Very low142 Ų14298 Ų9866%0.66453%0.534SS*.EExtended strand (participates in β ladder)trans-97.6124.4179.5-171.5173.214.300109.3L42L42-Q49 WeakPolarHBondContact CD2-O 3.21Å
50C46.5Very low42.6Very low7 Ų795.8 Ų95.85%0.04752%0.523CS..  trans-101.6108.7170.2174.70000109.4V52 E69 N255 L256C50-V52 PolarHBondContact O-N 3.37Å; C50-E69 HydrophobicContact CB-CB 4.32Å; C50-E69 WeakPolarHBondContact SG-CB 3.27Å; C50-E69 WeakPolarHBondContact SG-CG 3.47Å; C50-N255 CarbonylContact O-C 3.55Å; C50-N255 WeakPolarHBondContact O-CA 3.47Å; C50-L256 WeakPolarHBondContact CA-O 3.37Å; C50-L256 HydrophobicContact CB-CB 4.48Å; C50-L256 VanDerWaalsContact CB-O 3.23Å; C50-L256 WeakPolarHBondContact CB-O 3.44Å; C50-L256 PolarHBondContact N-O 2.96Å; C50-L256 PolarHBondContact O-N 2.89Å; C50-L256 VanDerWaalsContact O-O 3.13Å
51S37.5Very low43.3Very low69 Ų6994.5 Ų94.548%0.48352%0.52SS..  trans-81.5107.4167.658.50000109.1L53S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.84Å
52V36.8Very low44.6Very low28 Ų2885.9 Ų85.917%0.1748%0.479CS..  trans-73.991.6169.1176.90000106.6C50 K254C50-V52 PolarHBondContact O-N 3.37Å; V52-K254 HydrophobicContact CB-CB 3.76Å; V52-K254 HydrophobicContact CG1-CB 3.97Å; V52-K254 HydrophobicContact CG2-CB 4.23Å
53L30.4Very low45.8Very low129 Ų12984.6 Ų84.668%0.67547%0.472SS*.  trans-115.898.6177.1-80.3173.7000109.8S51S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 2.84Å
54G35.2Very low47.3Very low42 Ų4282.8 Ų82.843%0.43345%0.454SS..SBendtrans96.4113.8151.300000115.5D56G54-D56 PolarHBondContact O-N 3.45Å
55C31.5Very low48.8Very low127 Ų12775.7 Ų75.786%0.85842%0.418SS*.  trans27.364.4151.260.70000116.8E57C55-E57 PolarHBondContact O-N 2.96Å
56D42.3Very low50.6Low31 Ų3171.9 Ų71.917%0.16640%0.399CS..  trans-83.636.9166.1-70.8-46.4000111.2P35 G54 L58 T65 H68P35-D56 HydrophobicContact CG-CB 4.42Å; G54-D56 PolarHBondContact O-N 3.45Å; D56-L58 PolarHBondContact O-N 3.23Å; D56-T65 WeakPolarHBondContact O-CB 3.38Å; D56-T65 WeakPolarHBondContact O-CG2 3.34Å; D56-T65 PolarHBondContact O-OG1 2.76Å; D56-H68 IonicContact OD2-CE1 2.7Å; D56-H68 PolarHBondContact OD2-CE1 3.17Å
57E45.4Very low51.6Low164 Ų16466.6 Ų66.677%0.76637%0.366SS*.  trans-82.379.1166.1-75.7-177.7172.900107.5C55C55-E57 PolarHBondContact O-N 2.96Å
58L49.5Very low53.3Low62 Ų6262 Ų6233%0.32534%0.339SS..  trans-66.3140.4154.8-80.1162.4000107.7P35 D56 S60 T65 I87P35-L58 HydrophobicContact CB-CD1 3.55Å; P35-L58 HydrophobicContact CB-CG 4.4Å; D56-L58 PolarHBondContact O-N 3.23Å; L58-S60 PolarHBondContact O-N 2.88Å; L58-T65 HydrophobicContact CB-CG2 4.03Å; L58-T65 HydrophobicContact CD1-CG2 4.35Å; L58-I87 HydrophobicContact CD1-CD1 4.08Å
59D57Low54.6Low148 Ų14861.9 Ų61.979%0.79134%0.337SS*.  trans-72.555.5162.5-68-33.6000109.7S91D59-S91 PolarHBondContact O-OG 2.92Å
60S60.9Low56.9Low25 Ų2555.2 Ų55.218%0.17531%0.306CS..  trans-88.3120.2173-176.90000109.2L58 M62 F63 E105L58-S60 PolarHBondContact O-N 2.88Å; S60-M62 PolarHBondContact OG-N 2.95Å; S60-F63 PolarHBondContact OG-N 3.49Å; S60-E105 WeakPolarHBondContact CB-OE2 3.46Å; S60-E105 PolarHBondContact OG-OE2 3.1Å
61Y67.6Low59.1Low154 Ų15454.9 Ų54.960%0.60430%0.304SS*.SBendtrans-79.2-16.4172.9-77.5-117.1000111.5S91Y61-S91 WeakPolarHBondContact CD2-OG 3.45Å; Y61-S91 PolarHBondContact N-OG 3.14Å
62M66.8Low61.7Low9 Ų952.8 Ų52.84%0.04429%0.289CS..SBendtrans-100.9-42.8-173.7-77.7-61.5-69.700114S60 E105 V106 Y134 Q135 R138 V139S60-M62 PolarHBondContact OG-N 2.95Å; M62-E105 HydrophobicContact CG-CG 4.38Å; M62-E105 WeakPolarHBondContact CG-OE1 3.46Å; M62-V106 HydrophobicContact CG-CG2 4.36Å; M62-Y134 HydrophobicContact CG-CD1 4.48Å; M62-Y134 HydrophobicContact CG-CE1 3.76Å; M62-Y134 HydrophobicContact SD-CD1 3.61Å; M62-Y134 HydrophobicContact SD-CE1 3.45Å; M62-Y134 WeakPolarHBondContact SD-CE1 3.45Å; M62-Q135 HydrophobicContact CE-CB 4.27Å; M62-Q135 HydrophobicContact CE-CG 4.21Å; M62-Q135 PolarHBondContact O-NE2 2.83Å; M62-Q135 HydrophobicContact SD-CB 4.22Å; M62-Q135 HydrophobicContact SD-CG 3.79Å; M62-R138 HydrophobicContact CE-CB 3.62Å; M62-R138 HydrophobicContact CE-CG 4.43Å; M62-R138 HydrophobicContact SD-CB 4.01Å; M62-R138 WeakPolarHBondContact SD-CD 3.4Å; M62-R138 HydrophobicContact SD-CG 4.22Å; M62-V139 HydrophobicContact CE-CG2 4.38Å
63F70.9Confident64.3Low26 Ų2651.6 Ų51.611%0.11428%0.281CS..  trans-122.4133.5-159.9-52.6-64.2000112.7L33 S60 I87 E105 L109L33-F63 HydrophobicContact CB-CD1 4.36Å; L33-F63 HydrophobicContact CB-CD2 4.42Å; L33-F63 HydrophobicContact CB-CG 4.24Å; L33-F63 HydrophobicContact CD1-CD1 4.01Å; L33-F63 HydrophobicContact CD1-CD2 3.77Å; L33-F63 HydrophobicContact CD1-CE1 3.58Å; L33-F63 HydrophobicContact CD1-CE2 3.31Å; L33-F63 HydrophobicContact CD1-CG 4.11Å; L33-F63 HydrophobicContact CD1-CZ 3.22Å; S60-F63 PolarHBondContact OG-N 3.49Å; F63-I87 HydrophobicContact CB-CD1 4.03Å; F63-I87 HydrophobicContact CD2-CD1 3.93Å; F63-I87 HydrophobicContact CD2-CG1 4.44Å; F63-I87 HydrophobicContact CG-CD1 4.31Å; F63-E105 HydrophobicContact CE2-CB 4.22Å; F63-E105 HydrophobicContact CE2-CG 4.07Å; F63-L109 HydrophobicContact CE1-CD2 4.45Å; F63-L109 HydrophobicContact CZ-CB 4.12Å; F63-L109 HydrophobicContact CZ-CD2 4.3Å
64Q68.1Low67.4Low45 Ų4545.4 Ų45.421%0.2125%0.249CC..  trans-70.9133.8178.8-175.3177.5-7.800111.3S8 V66 E219S8-Q64 PolarHBondContact OG-OE1 2.9Å; Q64-V66 PolarHBondContact NE2-O 2.97Å; Q64-E219 PolarHBondContact NE2-OE2 3.24Å; Q64-E219 PolarHBondContact OE1-OE2 3.06Å
65T64.9Low70.4Confident21 Ų2144 Ų4413%0.12923%0.233CC..  trans-101.6-25.9178.661.70000113.3D56 L58 H68D56-T65 WeakPolarHBondContact O-CB 3.38Å; D56-T65 WeakPolarHBondContact O-CG2 3.34Å; D56-T65 PolarHBondContact O-OG1 2.76Å; L58-T65 HydrophobicContact CB-CG2 4.03Å; L58-T65 HydrophobicContact CD1-CG2 4.35Å; T65-H68 PolarHBondContact O-ND1 3.34Å
66V70.9Confident73.4Confident33 Ų3340.3 Ų40.320%0.221%0.208CC..THydrogen-bonded Turntrans-85.3128.6-178.3-1790000111.1Q64 H68 K177 H252Q64-V66 PolarHBondContact NE2-O 2.97Å; V66-H68 VanDerWaalsContact C-N 3.27Å; V66-K177 HydrophobicContact CG1-CB 4.36Å; V66-K177 HydrophobicContact CG2-CD 4.12Å; V66-H252 HydrophobicContact CG1-CB 4.44Å
67G70.6Confident76.1Confident9 Ų938.8 Ų38.89%0.09320%0.2CC..THydrogen-bonded Turntrans823.7178.800000114E69 A70G67-E69 WeakPolarHBondContact CA-OE2 3.2Å; G67-E69 PolarHBondContact O-N 2.81Å; G67-E69 VanDerWaalsContact O-N 3.09Å; G67-A70 WeakPolarHBondContact O-CB 3.33Å; G67-A70 PolarHBondContact O-N 2.92Å
68H77.9Confident78.6Confident3 Ų331.5 Ų31.51%0.01417%0.166CC..G310 helixtrans-58.2-25.8179.678.1-86.2000112.3Q32 G38 D56 T65 V66 A70 V71 R84Q32-H68 VanDerWaalsContact NE2-CB 3.34Å; Q32-H68 PolarHBondContact NE2-O 2.88Å; Q32-H68 PolarHBondContact OE1-O 2.87Å; G38-H68 WeakPolarHBondContact CA-NE2 3.37Å; D56-H68 IonicContact OD2-CE1 2.7Å; D56-H68 PolarHBondContact OD2-CE1 3.17Å; T65-H68 PolarHBondContact O-ND1 3.34Å; V66-H68 VanDerWaalsContact C-N 3.27Å; H68-A70 VanDerWaalsContact C-N 3.27Å; H68-A70 PolarHBondContact O-N 2.79Å; H68-V71 PolarHBondContact O-N 2.64Å; H68-R84 PolarHBondContact O-NH2 3.3Å; H68-R84 VanDerWaalsContact O-NH2 3.14Å
69E78.7Confident80.8Confident25 Ų2531.7 Ų31.712%0.11717%0.172CC..G310 helixtrans-73-17.9178.8-4796.4142.500113.5C50 G67 P72 F73C50-E69 HydrophobicContact CB-CB 4.32Å; C50-E69 WeakPolarHBondContact SG-CB 3.27Å; C50-E69 WeakPolarHBondContact SG-CG 3.47Å; G67-E69 WeakPolarHBondContact CA-OE2 3.2Å; G67-E69 PolarHBondContact O-N 2.81Å; G67-E69 VanDerWaalsContact O-N 3.09Å; E69-P72 WeakPolarHBondContact O-CD 3.08Å; E69-F73 WeakPolarHBondContact O-CE2 3.43Å
70A85.9Confident82.8Confident2 Ų226 Ų262%0.01714%0.142CC..G310 helixtrans-83.4-15.3177.600000112.7G67 H68 F73 I74 L221 F258G67-A70 WeakPolarHBondContact O-CB 3.33Å; G67-A70 PolarHBondContact O-N 2.92Å; H68-A70 VanDerWaalsContact C-N 3.27Å; H68-A70 PolarHBondContact O-N 2.79Å; A70-F73 WeakPolarHBondContact O-CA 3.09Å; A70-F73 VanDerWaalsContact O-CB 3.25Å; A70-F73 WeakPolarHBondContact O-CB 3.23Å; A70-F73 WeakPolarHBondContact O-CD2 3.43Å; A70-F73 PolarHBondContact O-N 3.22Å; A70-I74 PolarHBondContact O-N 3.42Å; A70-L221 HydrophobicContact CB-CD1 3.4Å; A70-L221 HydrophobicContact CB-CD2 3.55Å; A70-L221 HydrophobicContact CB-CG 4.13Å; A70-F258 HydrophobicContact CB-CE2 4.15Å; A70-F258 HydrophobicContact CB-CZ 4.18Å
71V91.3Very high84.6Confident0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-63-36.8-177.7179.20000114.3I7 S8 I30 Q32 H68 F73 I74 S75 I82I7-V71 HydrophobicContact CB-CG1 4.24Å; I7-V71 HydrophobicContact CG2-CG1 3.86Å; I7-V71 HydrophobicContact CG2-CG2 4.23Å; S8-V71 VanDerWaalsContact C-CG2 3.48Å; S8-V71 VanDerWaalsContact O-CG2 3.26Å; S8-V71 WeakPolarHBondContact O-CG2 3.39Å; I30-V71 HydrophobicContact CD1-CG1 3.99Å; Q32-V71 HydrophobicContact CB-CG1 4.26Å; Q32-V71 HydrophobicContact CG-CG1 4.46Å; H68-V71 PolarHBondContact O-N 2.64Å; V71-F73 PolarHBondContact O-N 3.04Å; V71-I74 WeakPolarHBondContact O-CA 3.39Å; V71-I74 WeakPolarHBondContact O-CB 3.37Å; V71-I74 PolarHBondContact O-N 3.48Å; V71-S75 PolarHBondContact O-N 3.3Å; V71-I82 HydrophobicContact CG1-CD1 3.78Å
72P93Very high86Confident26 Ų2622.2 Ų22.217%0.16913%0.132CC..Hα-helixtrans-55.6-31.1169.2-28.736.7000114.1L42 E69 S75 S76L42-P72 HydrophobicContact CD1-CB 4.35Å; L42-P72 HydrophobicContact CD1-CG 4.07Å; E69-P72 WeakPolarHBondContact O-CD 3.08Å; P72-S75 WeakPolarHBondContact O-CB 3.32Å; P72-S76 PolarHBondContact O-N 2.87Å; P72-S76 VanDerWaalsContact O-N 3.12Å; P72-S76 PolarHBondContact O-OG 2.83Å
73F92.5Very high87.5Confident2 Ų222 Ų221%0.00913%0.131CC..Hα-helixtrans-74.7-35.6175.2-58.4-105.3000111.6L48 E69 A70 V71 S76 A77 L232 F258L48-F73 HydrophobicContact CB-CD1 4.17Å; L48-F73 HydrophobicContact CB-CE1 3.14Å; L48-F73 HydrophobicContact CB-CZ 3.35Å; L48-F73 HydrophobicContact CD1-CD1 3.86Å; L48-F73 HydrophobicContact CD1-CE1 3.66Å; L48-F73 HydrophobicContact CD1-CZ 4.22Å; L48-F73 HydrophobicContact CG-CE1 4.03Å; L48-F73 HydrophobicContact CG-CZ 4.36Å; E69-F73 WeakPolarHBondContact O-CE2 3.43Å; A70-F73 WeakPolarHBondContact O-CA 3.09Å; A70-F73 VanDerWaalsContact O-CB 3.25Å; A70-F73 WeakPolarHBondContact O-CB 3.23Å; A70-F73 WeakPolarHBondContact O-CD2 3.43Å; A70-F73 PolarHBondContact O-N 3.22Å; V71-F73 PolarHBondContact O-N 3.04Å; F73-S76 WeakPolarHBondContact O-CB 3.27Å; F73-S76 PolarHBondContact O-N 2.86Å; F73-A77 WeakPolarHBondContact O-CB 3.22Å; F73-A77 PolarHBondContact O-N 2.9Å; F73-L232 HydrophobicContact CB-CD1 3.57Å; F73-L232 HydrophobicContact CB-CD2 4.02Å; F73-L232 HydrophobicContact CB-CG 4.46Å; F73-L232 HydrophobicContact CD1-CD1 3.95Å; F73-L232 HydrophobicContact CG-CD1 4.14Å; F73-F258 HydrophobicContact CD1-CB 3.72Å; F73-F258 AromaticContact CD1-CD2 3.98Å; F73-F258 HydrophobicContact CD1-CD2 3.98Å; F73-F258 HydrophobicContact CD1-CG 4.17Å; F73-F258 HydrophobicContact CD2-CD2 4.18Å; F73-F258 HydrophobicContact CE1-CB 3.64Å; F73-F258 AromaticContact CE1-CD2 3.65Å; F73-F258 HydrophobicContact CE1-CD2 3.65Å; F73-F258 HydrophobicContact CE1-CG 4.09Å; F73-F258 AromaticContact CE2-CD2 3.96Å; F73-F258 HydrophobicContact CE2-CD2 3.96Å; F73-F258 HydrophobicContact CE2-CE2 4.4Å; F73-F258 HydrophobicContact CG-CD2 4.18Å; F73-F258 HydrophobicContact CZ-CB 4.49Å; F73-F258 AromaticContact CZ-CD2 3.67Å; F73-F258 HydrophobicContact CZ-CD2 3.67Å; F73-F258 HydrophobicContact CZ-CE2 4.47Å
74I94.8Very high88.6Confident0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-64.3-41.6172-69.6169.9000110.9I7 G9 I30 A70 V71 S76 A77 L78 L221 F228I7-I74 HydrophobicContact CG2-CG2 4.25Å; G9-I74 VanDerWaalsContact CA-CD1 3.46Å; I30-I74 HydrophobicContact CD1-CG2 4.42Å; A70-I74 PolarHBondContact O-N 3.42Å; V71-I74 WeakPolarHBondContact O-CA 3.39Å; V71-I74 WeakPolarHBondContact O-CB 3.37Å; V71-I74 PolarHBondContact O-N 3.48Å; I74-S76 VanDerWaalsContact C-N 3.29Å; I74-S76 PolarHBondContact O-N 3.45Å; I74-A77 PolarHBondContact O-N 3.13Å; I74-L78 HydrophobicContact CG2-CD1 3.65Å; I74-L78 HydrophobicContact CG2-CG 4.3Å; I74-L78 WeakPolarHBondContact O-CB 3.34Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.36Å; I74-L78 PolarHBondContact O-N 2.96Å; I74-L221 HydrophobicContact CD1-CD1 3.84Å; I74-F228 HydrophobicContact CB-CZ 4.37Å; I74-F228 HydrophobicContact CG1-CZ 4.08Å; I74-F228 HydrophobicContact CG2-CE1 4.02Å; I74-F228 HydrophobicContact CG2-CZ 3.84Å
75S97.1Very high89.8Confident13 Ų1324.7 Ų24.79%0.09114%0.139CC..Hα-helixtrans-54.3-46.4170.51630000111.6V71 P72 L78 C79 L80V71-S75 PolarHBondContact O-N 3.3Å; P72-S75 WeakPolarHBondContact O-CB 3.32Å; S75-L78 PolarHBondContact O-N 2.87Å; S75-C79 PolarHBondContact O-N 3.42Å; S75-L80 PolarHBondContact O-N 2.77Å; S75-L80 VanDerWaalsContact O-N 3.1Å; S75-L80 PolarHBondContact OG-O 3.37Å
76S96.4Very high91.1Very high48 Ų4825.9 Ų25.934%0.33615%0.146SC..Hα-helixtrans-65.4-42177-56.60000112.1P72 F73 I74 L78 C79P72-S76 PolarHBondContact O-N 2.87Å; P72-S76 VanDerWaalsContact O-N 3.12Å; P72-S76 PolarHBondContact O-OG 2.83Å; F73-S76 WeakPolarHBondContact O-CB 3.27Å; F73-S76 PolarHBondContact O-N 2.86Å; I74-S76 VanDerWaalsContact C-N 3.29Å; I74-S76 PolarHBondContact O-N 3.45Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.08Å; S76-C79 PolarHBondContact O-N 2.96Å; S76-C79 VanDerWaalsContact O-N 3.11Å; S76-C79 PolarHBondContact O-SG 2.94Å
77A97.3Very high92Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-62-39.3177.100000112.5F73 I74 C79 F228 R229 Y230 L260F73-A77 WeakPolarHBondContact O-CB 3.22Å; F73-A77 PolarHBondContact O-N 2.9Å; I74-A77 PolarHBondContact O-N 3.13Å; A77-C79 VanDerWaalsContact C-N 3.33Å; A77-F228 HydrophobicContact CB-CD1 4.4Å; A77-F228 HydrophobicContact CB-CD2 3.65Å; A77-F228 HydrophobicContact CB-CE2 3.85Å; A77-F228 HydrophobicContact CB-CG 3.97Å; A77-F228 HydrophobicContact CB-CZ 4.32Å; A77-R229 PolarHBondContact O-N 3.45Å; A77-Y230 WeakPolarHBondContact CB-O 3.35Å; A77-Y230 PolarHBondContact O-N 3.08Å; A77-L260 HydrophobicContact CB-CD2 4.17Å
78L97.6Very high92.8Very high10 Ų1028.2 Ų28.25%0.05217%0.166CC..Hα-helixtrans-75.5-20.1175-71.4165.3000113.2L17 I30 I74 S75 S76 L80 I227 F228L17-L78 HydrophobicContact CD2-CD1 4.12Å; I30-L78 HydrophobicContact CD1-CD1 4.44Å; I30-L78 HydrophobicContact CG2-CD1 3.85Å; I74-L78 HydrophobicContact CG2-CD1 3.65Å; I74-L78 HydrophobicContact CG2-CG 4.3Å; I74-L78 WeakPolarHBondContact O-CB 3.34Å; I74-L78 VanDerWaalsContact O-CG 3.3Å; I74-L78 WeakPolarHBondContact O-CG 3.36Å; I74-L78 PolarHBondContact O-N 2.96Å; S75-L78 PolarHBondContact O-N 2.87Å; S76-L78 VanDerWaalsContact C-N 3.33Å; S76-L78 PolarHBondContact O-N 3.08Å; L78-L80 HydrophobicContact CB-CB 4.14Å; L78-L80 HydrophobicContact CB-CD1 3.95Å; L78-L80 HydrophobicContact CB-CG 3.91Å; L78-L80 HydrophobicContact CD1-CD1 4.28Å; L78-L80 PolarHBondContact O-N 2.99Å; L78-I227 HydrophobicContact CD2-CB 4.46Å; L78-I227 HydrophobicContact CD2-CD1 3.6Å; L78-I227 HydrophobicContact CD2-CG1 3.64Å; L78-F228 HydrophobicContact CD1-CE1 4.29Å; L78-F228 HydrophobicContact CD2-CD1 3.51Å; L78-F228 HydrophobicContact CD2-CE1 3.72Å; L78-F228 HydrophobicContact CG-CD1 3.8Å; L78-F228 HydrophobicContact CG-CE1 3.72Å
79C97.3Very high93.1Very high66 Ų6628.7 Ų28.745%0.44617%0.172SC..THydrogen-bonded Turntrans55.241.4-165.8-620000112.4S75 S76 A77 Y230S75-C79 PolarHBondContact O-N 3.42Å; S76-C79 PolarHBondContact O-N 2.96Å; S76-C79 VanDerWaalsContact O-N 3.11Å; S76-C79 PolarHBondContact O-SG 2.94Å; A77-C79 VanDerWaalsContact C-N 3.33Å; C79-Y230 VanDerWaalsContact SG-CE2 3.55Å
80L98.4Very high93.5Very high30 Ų3032.9 Ų32.916%0.15720%0.195CC..  trans-116.9142.7176.9-67.5176000110.1P27 I30 S75 L78P27-L80 HydrophobicContact CB-CD1 3.62Å; P27-L80 WeakPolarHBondContact O-CD2 3.43Å; I30-L80 HydrophobicContact CG2-CD1 4.18Å; S75-L80 PolarHBondContact O-N 2.77Å; S75-L80 VanDerWaalsContact O-N 3.1Å; S75-L80 PolarHBondContact OG-O 3.37Å; L78-L80 HydrophobicContact CB-CB 4.14Å; L78-L80 HydrophobicContact CB-CD1 3.95Å; L78-L80 HydrophobicContact CB-CG 3.91Å; L78-L80 HydrophobicContact CD1-CD1 4.28Å; L78-L80 PolarHBondContact O-N 2.99Å
81P98.1Very high93.5Very high52 Ų5234.1 Ų34.134%0.33820%0.204SC..  trans-63.1152.1171.428.9-34.4000110.9V28 C29 I30 Y120V28-P81 VanDerWaalsContact O-CD 3.27Å; V28-P81 WeakPolarHBondContact O-CD 3.3Å; V28-P81 VanDerWaalsContact O-CG 3.27Å; V28-P81 WeakPolarHBondContact O-CG 3.31Å; C29-P81 CarbonylContact C-O 3.55Å; C29-P81 VanDerWaalsContact CA-O 3.3Å; C29-P81 WeakPolarHBondContact CA-O 3.43Å; C29-P81 HydrophobicContact CB-CG 3.88Å; C29-P81 WeakPolarHBondContact CB-O 3.4Å; I30-P81 PolarHBondContact N-O 3.07Å; P81-Y120 HydrophobicContact CB-CE1 4.22Å; P81-Y120 WeakPolarHBondContact CB-OH 3.34Å; P81-Y120 HydrophobicContact CG-CD1 4.41Å; P81-Y120 HydrophobicContact CG-CE1 3.7Å; P81-Y120 HydrophobicContact CG-CE2 4.48Å
82I97.7Very high93.3Very high47 Ų4737 Ų3724%0.24122%0.221CC..EExtended strand (participates in β ladder)trans-115.9136.5177.9-174.6169.5000111.1I30 V71 R84I30-I82 HydrophobicContact CD1-CD1 4.19Å; I30-I82 HydrophobicContact CD1-CG1 4.38Å; I30-I82 HydrophobicContact CG1-CB 3.96Å; I30-I82 HydrophobicContact CG1-CD1 4.28Å; I30-I82 HydrophobicContact CG1-CG1 3.92Å; I30-I82 CarbonylContact O-C 3.54Å; I30-I82 VanDerWaalsContact O-CA 3.3Å; I30-I82 WeakPolarHBondContact O-CA 3.35Å; V71-I82 HydrophobicContact CG1-CD1 3.78Å; I82-R84 HydrophobicContact CD1-CG 3.66Å; I82-R84 HydrophobicContact CG1-CG 3.69Å
83L97.9Very high93.2Very high5 Ų536.7 Ų36.73%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-105.1126.4164.5-64.6176.5000108.7I30 A31 Q32 L112 E115 A116 K119 Y120I30-L83 PolarHBondContact O-N 2.99Å; A31-L83 CarbonylContact C-O 3.56Å; A31-L83 VanDerWaalsContact CA-O 3.24Å; A31-L83 WeakPolarHBondContact CA-O 3.24Å; A31-L83 HydrophobicContact CB-CB 4.46Å; Q32-L83 PolarHBondContact N-O 2.94Å; L83-L112 HydrophobicContact CB-CD1 3.64Å; L83-E115 HydrophobicContact CD1-CB 4.47Å; L83-E115 HydrophobicContact CD1-CG 4.19Å; L83-E115 HydrophobicContact CD2-CG 4.27Å; L83-E115 WeakPolarHBondContact CD2-OE1 3.42Å; L83-A116 VanDerWaalsContact CD1-CA 3.43Å; L83-A116 HydrophobicContact CD1-CB 3.65Å; L83-K119 HydrophobicContact CD2-CD 4.26Å; L83-Y120 HydrophobicContact CD1-CD2 4.08Å; L83-Y120 HydrophobicContact CD1-CE2 3.84Å; L83-Y120 HydrophobicContact CD2-CE2 3.97Å; L83-Y120 HydrophobicContact CG-CE2 3.85Å
84R94.6Very high92.9Very high52 Ų5239.7 Ų39.720%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-123.8133176.1-54.4-178.890-1546.1109Q32 V34 G38 H68 I82Q32-R84 VanDerWaalsContact O-CA 3.3Å; Q32-R84 WeakPolarHBondContact O-CA 3.3Å; Q32-R84 VanDerWaalsContact OE1-CZ 3.3Å; V34-R84 HydrophobicContact CG1-CB 4.37Å; V34-R84 VanDerWaalsContact CG1-NH2 3.33Å; G38-R84 PolarHBondContact O-NH1 3.32Å; H68-R84 PolarHBondContact O-NH2 3.3Å; H68-R84 VanDerWaalsContact O-NH2 3.14Å; I82-R84 HydrophobicContact CD1-CG 3.66Å; I82-R84 HydrophobicContact CG1-CG 3.69Å
85R93.9Very high92.7Very high75 Ų7545.4 Ų45.428%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-127.2134.6173.4171.5177.6-71.1-100.5-3.5109.2Q32 L33 V34 D108 L112Q32-R85 PolarHBondContact O-N 2.88Å; Q32-R85 VanDerWaalsContact O-N 3.13Å; L33-R85 CarbonylContact C-O 3.51Å; L33-R85 VanDerWaalsContact CA-O 3.31Å; L33-R85 WeakPolarHBondContact CA-O 3.45Å; L33-R85 HydrophobicContact CD2-CB 3.83Å; L33-R85 HydrophobicContact CD2-CG 3.94Å; L33-R85 WeakPolarHBondContact CD2-O 3.3Å; V34-R85 PolarHBondContact N-O 3.31Å; R85-D108 WeakPolarHBondContact CD-O 3.43Å; R85-L112 HydrophobicContact CB-CB 4.22Å; R85-L112 HydrophobicContact CB-CD1 3.97Å; R85-L112 HydrophobicContact CB-CD2 4.4Å; R85-L112 HydrophobicContact CB-CG 4.43Å
86T91.5Very high92.3Very high45 Ų4549.2 Ų49.228%0.27629%0.288SS..EExtended strand (participates in β ladder)trans-70.9133.8174-67.40000109.7V34 P36 N39 A88V34-T86 CarbonylContact O-C 3.59Å; V34-T86 WeakPolarHBondContact O-CA 3.4Å; P36-T86 HydrophobicContact CB-CG2 4.37Å; P36-T86 HydrophobicContact CG-CG2 4.4Å; N39-T86 PolarHBondContact ND2-OG1 2.79Å; T86-A88 PolarHBondContact O-N 2.57Å
87I89Confident92Very high9 Ų956.7 Ų56.75%0.04631%0.308CS..  trans-65.8119.1170.4-59.9167.5000107.7L33 V34 L58 F63 G89 E105L33-I87 HydrophobicContact CB-CD1 4.21Å; L33-I87 HydrophobicContact CB-CG1 3.84Å; L33-I87 HydrophobicContact CD2-CG1 4.48Å; V34-I87 PolarHBondContact O-N 3.49Å; L58-I87 HydrophobicContact CD1-CD1 4.08Å; F63-I87 HydrophobicContact CB-CD1 4.03Å; F63-I87 HydrophobicContact CD2-CD1 3.93Å; F63-I87 HydrophobicContact CD2-CG1 4.44Å; F63-I87 HydrophobicContact CG-CD1 4.31Å; I87-G89 WeakPolarHBondContact CG2-O 3.39Å; I87-E105 HydrophobicContact CG2-CB 4.06Å
88A88.9Confident91.9Very high82 Ų8257.1 Ų57.168%0.67831%0.31SS*.  trans-114.3-29.5177.300000111.7T86 D108T86-A88 PolarHBondContact O-N 2.57Å; A88-D108 PolarHBondContact N-OD2 3.33Å
89G84.2Confident91.7Very high14 Ų1460.3 Ų60.314%0.14433%0.333CS..SBendtrans-73.6167172.700000113.1I87 Q103 D108I87-G89 WeakPolarHBondContact CG2-O 3.39Å; G89-Q103 CarbonylContact C-O 3.52Å; G89-Q103 WeakPolarHBondContact CA-O 3.17Å; G89-D108 PolarHBondContact N-OD2 3.38Å
90N86.7Confident91.6Very high112 Ų11260.8 Ų60.860%0.59934%0.335SS*.BIsolated β-bridgetrans-110169.4173-58.3-78000109.6V92 Q103 D104 E105N90-V92 HydrophobicContact CB-CG2 4.1Å; N90-V92 PolarHBondContact O-N 2.87Å; N90-Q103 PolarHBondContact N-O 2.99Å; N90-D104 CarbonylContact O-C 3.38Å; N90-D104 VanDerWaalsContact O-CA 3.25Å; N90-D104 WeakPolarHBondContact O-CA 3.4Å; N90-E105 PolarHBondContact O-N 2.9Å
91S84.9Confident91.5Very high28 Ų2861.9 Ų61.920%0.19634%0.342CS..SBendtrans-7496.1165.8-550000109.2D59 Y61 E105D59-S91 PolarHBondContact O-OG 2.92Å; Y61-S91 WeakPolarHBondContact CD2-OG 3.45Å; Y61-S91 PolarHBondContact N-OG 3.14Å; S91-E105 PolarHBondContact OG-OE1 3.07Å
92V87.8Confident91.2Very high60 Ų6068.6 Ų68.636%0.36437%0.369SS..  trans-104.1-52.2-174178.30000110.7N90 C94 N101 Q103 D104N90-V92 HydrophobicContact CB-CG2 4.1Å; N90-V92 PolarHBondContact O-N 2.87Å; V92-C94 PolarHBondContact O-N 3Å; V92-N101 WeakPolarHBondContact CG1-ND2 3.46Å; V92-Q103 HydrophobicContact CG2-CB 4.12Å; V92-D104 WeakPolarHBondContact CA-OD2 3.37Å; V92-D104 HydrophobicContact CB-CB 4.28Å; V92-D104 PolarHBondContact N-OD2 2.84Å
93V90.6Very high91Very high20 Ų2072.7 Ų72.712%0.12139%0.386CS..  trans-90.696.8176.4-178.50000106.5Y98 N101 D104 R138V93-Y98 HydrophobicContact CB-CD2 4.06Å; V93-Y98 HydrophobicContact CB-CE2 3.97Å; V93-Y98 HydrophobicContact CG1-CD2 3.97Å; V93-Y98 HydrophobicContact CG1-CE2 4.35Å; V93-Y98 HydrophobicContact CG2-CE2 4.43Å; V93-N101 HydrophobicContact CG2-CB 3.69Å; V93-D104 PolarHBondContact N-OD2 3.32Å; V93-R138 PolarHBondContact O-NH2 3.21Å
94C87.2Confident90.8Very high66 Ų6672.5 Ų72.545%0.44639%0.385SS..  trans-95.81.1-179.7-62.20000113.4V92V92-C94 PolarHBondContact O-N 3Å
95D89.1Confident90.6Very high119 Ų11970.1 Ų70.164%0.63638%0.377SS*.SBendtrans-65.2157.9178-71.5-41.2000112.4R97 R138D95-R97 VanDerWaalsContact C-N 3.3Å; D95-R97 PolarHBondContact O-N 2.87Å; D95-R138 PolarHBondContact O-NH2 3.44Å
96M88.8Confident90.7Very high93 Ų9366.6 Ų66.646%0.45836%0.363SS..SBendtrans-67.5-28.5178.6-79-56.2-48.900113.7K133 E137M96-K133 HydrophobicContact CE-CB 3.73Å; M96-K133 HydrophobicContact CE-CD 3.51Å; M96-K133 HydrophobicContact CE-CG 3.43Å; M96-K133 VanDerWaalsContact CE-CG 3.43Å; M96-E137 WeakPolarHBondContact O-CG 3.26Å
97R91.7Very high91Very high205 Ų20565.1 Ų65.177%0.77435%0.353SS*.SBendtrans-97.9127.4168.4-73.8-173.1-177.6-178.20.6107.3D95D95-R97 VanDerWaalsContact C-N 3.3Å; D95-R97 PolarHBondContact O-N 2.87Å
98Y93.7Very high91.3Very high10 Ų1065.4 Ų65.44%0.03936%0.355CS..  trans-85.1135.7178.3-176-104.2000110.5V93 P100 D104 V106 E107 R138 N141V93-Y98 HydrophobicContact CB-CD2 4.06Å; V93-Y98 HydrophobicContact CB-CE2 3.97Å; V93-Y98 HydrophobicContact CG1-CD2 3.97Å; V93-Y98 HydrophobicContact CG1-CE2 4.35Å; V93-Y98 HydrophobicContact CG2-CE2 4.43Å; Y98-P100 HydrophobicContact CE1-CG 4.5Å; Y98-D104 HydrophobicContact CE2-CB 4.39Å; Y98-V106 HydrophobicContact CD1-CG1 4.05Å; Y98-V106 HydrophobicContact CD2-CG2 4.26Å; Y98-V106 HydrophobicContact CE1-CB 4.05Å; Y98-V106 HydrophobicContact CE1-CG1 3.46Å; Y98-V106 VanDerWaalsContact CE1-CG1 3.46Å; Y98-V106 HydrophobicContact CE2-CB 3.72Å; Y98-V106 HydrophobicContact CE2-CG1 3.99Å; Y98-V106 HydrophobicContact CE2-CG2 3.79Å; Y98-V106 VanDerWaalsContact CZ-CB 3.46Å; Y98-V106 VanDerWaalsContact CZ-CG1 3.44Å; Y98-V106 WeakPolarHBondContact OH-CB 3.44Å; Y98-E107 PolarHBondContact OH-OE1 2.63Å; Y98-R138 HydrophobicContact CD2-CG 3.79Å; Y98-R138 HydrophobicContact CG-CG 3.83Å; Y98-N141 HydrophobicContact CD1-CB 3.85Å; Y98-N141 WeakPolarHBondContact CD1-OD1 3.48Å
99S94.2Very high91.7Very high76 Ų7661.6 Ų61.653%0.53132%0.323SS..  trans-123.5132.4168.6-65.40000107.5N101S99-N101 PolarHBondContact O-N 3.27Å
100P95.6Very high92.3Very high76 Ų7662.2 Ų62.249%0.49432%0.322SS..  trans-55.6133.7-176.4-27.835.9000113.1Y98Y98-P100 HydrophobicContact CE1-CG 4.5Å
101N94.9Very high92.9Very high54 Ų5461.3 Ų61.329%0.28931%0.313SS..  trans-140.9123.6173.1-179.1-38.9000108.6V92 V93 S99 Q103 D104 E107V92-N101 WeakPolarHBondContact CG1-ND2 3.46Å; V93-N101 HydrophobicContact CG2-CB 3.69Å; S99-N101 PolarHBondContact O-N 3.27Å; N101-Q103 PolarHBondContact O-N 3.26Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; N101-Q103 PolarHBondContact OD1-N 3.48Å; N101-D104 HydrophobicContact CB-CB 4.18Å; N101-D104 VanDerWaalsContact O-CB 3.3Å; N101-D104 WeakPolarHBondContact O-CB 3.45Å; N101-D104 PolarHBondContact O-N 3.39Å; N101-E107 WeakPolarHBondContact O-CG 3.27Å
102E92.7Very high93.5Very high193 Ų19360 Ų6090%0.90230%0.304SS*.THydrogen-bonded Turntrans-59.6-18.9-174.1-62.8-176.1167.700114.6
103Q92.6Very high94Very high132 Ų13257.2 Ų57.262%0.61729%0.287SS*.THydrogen-bonded Turntrans-93.1-2.3178.4-60.6178.2-5.800112.9G89 N90 V92 N101G89-Q103 CarbonylContact C-O 3.52Å; G89-Q103 WeakPolarHBondContact CA-O 3.17Å; N90-Q103 PolarHBondContact N-O 2.99Å; V92-Q103 HydrophobicContact CG2-CB 4.12Å; N101-Q103 PolarHBondContact O-N 3.26Å; N101-Q103 WeakPolarHBondContact OD1-CB 3.48Å; N101-Q103 PolarHBondContact OD1-N 3.48Å
104D93.6Very high94.4Very high1 Ų160.2 Ų60.21%0.00530%0.298CS..BIsolated β-bridgetrans-88.1140.7-175.8-161.2-79.1000112.4N90 V92 V93 Y98 N101 V106 E107N90-D104 CarbonylContact O-C 3.38Å; N90-D104 VanDerWaalsContact O-CA 3.25Å; N90-D104 WeakPolarHBondContact O-CA 3.4Å; V92-D104 WeakPolarHBondContact CA-OD2 3.37Å; V92-D104 HydrophobicContact CB-CB 4.28Å; V92-D104 PolarHBondContact N-OD2 2.84Å; V93-D104 PolarHBondContact N-OD2 3.32Å; Y98-D104 HydrophobicContact CE2-CB 4.39Å; N101-D104 HydrophobicContact CB-CB 4.18Å; N101-D104 VanDerWaalsContact O-CB 3.3Å; N101-D104 WeakPolarHBondContact O-CB 3.45Å; N101-D104 PolarHBondContact O-N 3.39Å; D104-V106 PolarHBondContact O-N 2.85Å; D104-V106 WeakPolarHBondContact OD1-CB 3.45Å; D104-V106 WeakPolarHBondContact OD1-CG2 3.39Å; D104-V106 PolarHBondContact OD1-N 3.35Å; D104-E107 PolarHBondContact O-N 3.13Å
105E91.9Very high95Very high3 Ų360.3 Ų60.31%0.01429%0.292CS..Hα-helixtrans-56.2-23177.264.2179.9164.900113.5S60 M62 F63 I87 N90 S91 E107 D108 L109S60-E105 WeakPolarHBondContact CB-OE2 3.46Å; S60-E105 PolarHBondContact OG-OE2 3.1Å; M62-E105 HydrophobicContact CG-CG 4.38Å; M62-E105 WeakPolarHBondContact CG-OE1 3.46Å; F63-E105 HydrophobicContact CE2-CB 4.22Å; F63-E105 HydrophobicContact CE2-CG 4.07Å; I87-E105 HydrophobicContact CG2-CB 4.06Å; N90-E105 PolarHBondContact O-N 2.9Å; S91-E105 PolarHBondContact OG-OE1 3.07Å; E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 2.84Å; E105-D108 WeakPolarHBondContact O-CB 3.29Å; E105-D108 PolarHBondContact O-N 3.14Å; E105-L109 PolarHBondContact O-N 2.92Å
106V95Very high95.4Very high0 Ų054.6 Ų54.60%026%0.262CS..Hα-helixtrans-68.5-26.6176.4175.70000112.1M62 Y98 D104 D108 L109 F110 R138 V142M62-V106 HydrophobicContact CG-CG2 4.36Å; Y98-V106 HydrophobicContact CD1-CG1 4.05Å; Y98-V106 HydrophobicContact CD2-CG2 4.26Å; Y98-V106 HydrophobicContact CE1-CB 4.05Å; Y98-V106 HydrophobicContact CE1-CG1 3.46Å; Y98-V106 VanDerWaalsContact CE1-CG1 3.46Å; Y98-V106 HydrophobicContact CE2-CB 3.72Å; Y98-V106 HydrophobicContact CE2-CG1 3.99Å; Y98-V106 HydrophobicContact CE2-CG2 3.79Å; Y98-V106 VanDerWaalsContact CZ-CB 3.46Å; Y98-V106 VanDerWaalsContact CZ-CG1 3.44Å; Y98-V106 WeakPolarHBondContact OH-CB 3.44Å; D104-V106 PolarHBondContact O-N 2.85Å; D104-V106 WeakPolarHBondContact OD1-CB 3.45Å; D104-V106 WeakPolarHBondContact OD1-CG2 3.39Å; D104-V106 PolarHBondContact OD1-N 3.35Å; V106-D108 VanDerWaalsContact C-N 3.31Å; V106-L109 WeakPolarHBondContact O-CB 3.37Å; V106-L109 PolarHBondContact O-N 2.92Å; V106-F110 PolarHBondContact O-N 3.1Å; V106-R138 HydrophobicContact CG1-CB 4.08Å; V106-R138 HydrophobicContact CG1-CG 4.35Å; V106-R138 HydrophobicContact CG2-CB 3.78Å; V106-R138 HydrophobicContact CG2-CG 3.55Å; V106-V142 HydrophobicContact CG1-CG2 3.77Å
107E97.1Very high95.9Very high14 Ų1453.2 Ų53.27%0.06525%0.253CS..Hα-helixtrans-72.9-26.8175-59.6-53.812400111.8Y98 N101 D104 E105 L109 F110 F111 R145Y98-E107 PolarHBondContact OH-OE1 2.63Å; N101-E107 WeakPolarHBondContact O-CG 3.27Å; D104-E107 PolarHBondContact O-N 3.13Å; E105-E107 VanDerWaalsContact C-N 3.27Å; E105-E107 PolarHBondContact O-N 2.84Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.32Å; E107-F110 WeakPolarHBondContact O-CB 3.25Å; E107-F110 PolarHBondContact O-N 3Å; E107-F111 HydrophobicContact CB-CE2 4.47Å; E107-F111 WeakPolarHBondContact O-CD2 3.44Å; E107-F111 PolarHBondContact O-N 2.97Å; E107-R145 VanDerWaalsContact CD-NH1 3.28Å; E107-R145 IonicContact OE1-CZ 3.8Å; E107-R145 IonicContact OE1-NH1 2.98Å; E107-R145 PolarHBondContact OE1-NH1 3.31Å; E107-R145 IonicContact OE1-NH2 3.95Å; E107-R145 IonicContact OE2-CZ 3.29Å; E107-R145 VanDerWaalsContact OE2-CZ 3.29Å; E107-R145 IonicContact OE2-NH1 3.9Å; E107-R145 PolarHBondContact OE2-NH1 3.01Å; E107-R145 IonicContact OE2-NH2 2.7Å; E107-R145 PolarHBondContact OE2-NH2 3.03Å
108D95.7Very high96.2Very high16 Ų1649.6 Ų49.69%0.08625%0.245CC..Hα-helixtrans-62.4-41.3167.9-65.3-49.2000110.6L33 R85 A88 G89 E105 V106 F110 F111 L112L33-D108 HydrophobicContact CD1-CB 4.39Å; L33-D108 HydrophobicContact CD2-CB 3.77Å; R85-D108 WeakPolarHBondContact CD-O 3.43Å; A88-D108 PolarHBondContact N-OD2 3.33Å; G89-D108 PolarHBondContact N-OD2 3.38Å; E105-D108 WeakPolarHBondContact O-CB 3.29Å; E105-D108 PolarHBondContact O-N 3.14Å; V106-D108 VanDerWaalsContact C-N 3.31Å; D108-F110 VanDerWaalsContact C-N 3.34Å; D108-F110 PolarHBondContact O-N 3.49Å; D108-F111 PolarHBondContact O-N 3.23Å; D108-L112 WeakPolarHBondContact O-CB 3.49Å; D108-L112 PolarHBondContact O-N 3Å
109L97.2Very high96.5Very high1 Ų154.6 Ų54.61%0.00527%0.267CS..Hα-helixtrans-62-42.9173.2-179.763.6000111.1L6 L33 F63 E105 V106 E107 F111 L112 M113 V139 V142L6-L109 HydrophobicContact CD1-CD1 3.93Å; L6-L109 HydrophobicContact CD2-CD1 4.28Å; L33-L109 HydrophobicContact CD1-CB 3.85Å; L33-L109 HydrophobicContact CD1-CD1 4.38Å; F63-L109 HydrophobicContact CE1-CD2 4.45Å; F63-L109 HydrophobicContact CZ-CB 4.12Å; F63-L109 HydrophobicContact CZ-CD2 4.3Å; E105-L109 PolarHBondContact O-N 2.92Å; V106-L109 WeakPolarHBondContact O-CB 3.37Å; V106-L109 PolarHBondContact O-N 2.92Å; E107-L109 VanDerWaalsContact C-N 3.29Å; E107-L109 PolarHBondContact O-N 3.32Å; L109-F111 PolarHBondContact O-N 2.95Å; L109-L112 PolarHBondContact O-N 3.19Å; L109-M113 HydrophobicContact CD1-CE 4.05Å; L109-M113 HydrophobicContact CD1-CG 4.02Å; L109-M113 HydrophobicContact CD1-SD 4.42Å; L109-M113 HydrophobicContact CG-CG 4.28Å; L109-M113 WeakPolarHBondContact O-CG 3.19Å; L109-M113 PolarHBondContact O-N 3.32Å; L109-V139 HydrophobicContact CD2-CG2 3.96Å; L109-V142 HydrophobicContact CD2-CG2 4.27Å; L109-V142 HydrophobicContact CG-CG1 4.45Å; L109-V142 HydrophobicContact CG-CG2 4.33Å
110F98.4Very high96.7Very high28 Ų2853.3 Ų53.312%0.12325%0.25CS..Hα-helixtrans-55.1-51.5175.7177.3-92.6000111.7V106 E107 D108 L112 M113 K114 V142 R145 L146V106-F110 PolarHBondContact O-N 3.1Å; E107-F110 WeakPolarHBondContact O-CB 3.25Å; E107-F110 PolarHBondContact O-N 3Å; D108-F110 VanDerWaalsContact C-N 3.34Å; D108-F110 PolarHBondContact O-N 3.49Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 3.24Å; F110-M113 PolarHBondContact O-N 2.83Å; F110-K114 HydrophobicContact CE1-CD 4.35Å; F110-K114 WeakPolarHBondContact O-CB 3.37Å; F110-K114 PolarHBondContact O-N 3.06Å; F110-V142 HydrophobicContact CB-CG1 4.32Å; F110-V142 HydrophobicContact CB-CG2 4.12Å; F110-V142 HydrophobicContact CD2-CG1 4.33Å; F110-R145 HydrophobicContact CD2-CB 4.31Å; F110-R145 HydrophobicContact CE2-CB 3.76Å; F110-L146 HydrophobicContact CD2-CD1 4.07Å; F110-L146 HydrophobicContact CD2-CD2 4.12Å; F110-L146 HydrophobicContact CD2-CG 3.84Å; F110-L146 HydrophobicContact CE1-CD2 4.35Å; F110-L146 HydrophobicContact CE2-CD1 4.18Å; F110-L146 HydrophobicContact CE2-CD2 3.4Å; F110-L146 VanDerWaalsContact CE2-CD2 3.4Å; F110-L146 HydrophobicContact CE2-CG 3.49Å; F110-L146 VanDerWaalsContact CE2-CG 3.49Å; F110-L146 HydrophobicContact CZ-CD2 3.54Å; F110-L146 HydrophobicContact CZ-CG 4.17Å
111F98Very high96.8Very high93 Ų9354.7 Ų54.741%0.40825%0.251SS..Hα-helixtrans-67.5-33-179.9-68.2-62.8000113E107 D108 L109 E115E107-F111 HydrophobicContact CB-CE2 4.47Å; E107-F111 WeakPolarHBondContact O-CD2 3.44Å; E107-F111 PolarHBondContact O-N 2.97Å; D108-F111 PolarHBondContact O-N 3.23Å; L109-F111 PolarHBondContact O-N 2.95Å; F111-E115 PolarHBondContact O-N 3.29Å
112L98.3Very high97Very high0 Ų052.3 Ų52.30%024%0.238CC..Hα-helixtrans-65.6-44.2174.1-179.260000111.8A31 L33 L83 R85 D108 L109 F110 E115 A116A31-L112 HydrophobicContact CB-CD1 4.35Å; A31-L112 HydrophobicContact CB-CD2 3.97Å; A31-L112 HydrophobicContact CB-CG 4.06Å; L33-L112 HydrophobicContact CD2-CD2 3.97Å; L33-L112 HydrophobicContact CG-CD2 3.92Å; L83-L112 HydrophobicContact CB-CD1 3.64Å; R85-L112 HydrophobicContact CB-CB 4.22Å; R85-L112 HydrophobicContact CB-CD1 3.97Å; R85-L112 HydrophobicContact CB-CD2 4.4Å; R85-L112 HydrophobicContact CB-CG 4.43Å; D108-L112 WeakPolarHBondContact O-CB 3.49Å; D108-L112 PolarHBondContact O-N 3Å; L109-L112 PolarHBondContact O-N 3.19Å; F110-L112 VanDerWaalsContact C-N 3.33Å; F110-L112 PolarHBondContact O-N 3.24Å; L112-E115 PolarHBondContact O-N 3.2Å; L112-A116 PolarHBondContact O-N 3.29Å
113M98.7Very high97.3Very high2 Ų247.8 Ų47.81%0.0122%0.217CC..Hα-helixtrans-68.7-36.3176.6-66.5-55.893.500111.9V4 A31 L109 F110 A116 K117 V125 V142 L146 L148V4-M113 HydrophobicContact CG1-SD 3.78Å; V4-M113 HydrophobicContact CG2-CE 4.33Å; A31-M113 HydrophobicContact CB-CE 3.54Å; L109-M113 HydrophobicContact CD1-CE 4.05Å; L109-M113 HydrophobicContact CD1-CG 4.02Å; L109-M113 HydrophobicContact CD1-SD 4.42Å; L109-M113 HydrophobicContact CG-CG 4.28Å; L109-M113 WeakPolarHBondContact O-CG 3.19Å; L109-M113 PolarHBondContact O-N 3.32Å; F110-M113 PolarHBondContact O-N 2.83Å; M113-A116 WeakPolarHBondContact O-CB 3.29Å; M113-A116 PolarHBondContact O-N 2.96Å; M113-K117 PolarHBondContact O-N 3.4Å; M113-V125 HydrophobicContact CG-CG2 4.33Å; M113-V125 HydrophobicContact SD-CB 4.41Å; M113-V125 HydrophobicContact SD-CG1 3.82Å; M113-V125 HydrophobicContact SD-CG2 3.65Å; M113-V142 HydrophobicContact CB-CG1 4Å; M113-V142 HydrophobicContact CG-CG1 3.88Å; M113-L146 HydrophobicContact CB-CD1 3.47Å; M113-L146 VanDerWaalsContact CB-CD1 3.47Å; M113-L148 HydrophobicContact CB-CD1 4.34Å
114K98.7Very high97.6Very high83 Ų8341.5 Ų41.536%0.36119%0.187SC..Hα-helixtrans-59.5-46.8173-175.5177.3174.6179.60111.3F110 A116 K117 E118 L146F110-K114 HydrophobicContact CE1-CD 4.35Å; F110-K114 WeakPolarHBondContact O-CB 3.37Å; F110-K114 PolarHBondContact O-N 3.06Å; K114-A116 VanDerWaalsContact C-N 3.32Å; K114-A116 PolarHBondContact O-N 3.19Å; K114-K117 PolarHBondContact O-N 3.24Å; K114-E118 WeakPolarHBondContact CE-OE1 3.28Å; K114-E118 WeakPolarHBondContact O-CG 3.43Å; K114-E118 PolarHBondContact O-N 3.11Å; K114-L146 HydrophobicContact CB-CD1 4.33Å; K114-L146 HydrophobicContact CB-CD2 4.01Å; K114-L146 HydrophobicContact CG-CD2 4.29Å
115E98.7Very high97.8Very high67 Ų6741.5 Ų41.531%0.31319%0.187SC..Hα-helixtrans-60.7-41.3175.4-175.6179.7167.900111.7L83 F111 L112 K117 E118 K119L83-E115 HydrophobicContact CD1-CB 4.47Å; L83-E115 HydrophobicContact CD1-CG 4.19Å; L83-E115 HydrophobicContact CD2-CG 4.27Å; L83-E115 WeakPolarHBondContact CD2-OE1 3.42Å; F111-E115 PolarHBondContact O-N 3.29Å; L112-E115 PolarHBondContact O-N 3.2Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 3.47Å; E115-E118 PolarHBondContact O-N 3.36Å; E115-K119 WeakPolarHBondContact O-CB 3.46Å; E115-K119 PolarHBondContact O-N 2.86Å
116A98.7Very high98.1Very high0 Ų041.5 Ų41.50%019%0.188CC..Hα-helixtrans-60.4-43.9174.800000112V4 L83 L112 M113 K114 Y120 V122V4-A116 HydrophobicContact CB-CB 4.26Å; V4-A116 HydrophobicContact CG1-CB 4.33Å; V4-A116 HydrophobicContact CG2-CB 4.2Å; L83-A116 VanDerWaalsContact CD1-CA 3.43Å; L83-A116 HydrophobicContact CD1-CB 3.65Å; L112-A116 PolarHBondContact O-N 3.29Å; M113-A116 WeakPolarHBondContact O-CB 3.29Å; M113-A116 PolarHBondContact O-N 2.96Å; K114-A116 VanDerWaalsContact C-N 3.32Å; K114-A116 PolarHBondContact O-N 3.19Å; A116-Y120 PolarHBondContact O-N 2.96Å; A116-V122 HydrophobicContact CB-CG2 3.97Å
117K98.7Very high98.2Very high63 Ų6341.9 Ų41.927%0.27419%0.19SC..Hα-helixtrans-63.6-46.8178.4-171.2169.4-176.11630111.1M113 K114 E115 Q121 V122 L146 D147 L148M113-K117 PolarHBondContact O-N 3.4Å; K114-K117 PolarHBondContact O-N 3.24Å; E115-K117 VanDerWaalsContact C-N 3.35Å; E115-K117 PolarHBondContact O-N 3.47Å; K117-Q121 WeakPolarHBondContact O-CA 3.36Å; K117-Q121 PolarHBondContact O-N 3.49Å; K117-V122 HydrophobicContact CB-CG2 4.16Å; K117-L146 WeakPolarHBondContact CD-O 3.46Å; K117-L146 PolarHBondContact NZ-O 2.92Å; K117-D147 PolarHBondContact NZ-O 2.82Å; K117-D147 IonicContact NZ-OD2 2.76Å; K117-L148 HydrophobicContact CD-CD2 3.88Å; K117-L148 HydrophobicContact CD-CG 4.2Å; K117-L148 HydrophobicContact CG-CD2 4.3Å
118E98.6Very high98.1Very high129 Ų12941.7 Ų41.760%0.60319%0.192SC*.Hα-helixtrans-67.1-47.3-179.5-69.8171.6174.200111.9K114 E115 Q121K114-E118 WeakPolarHBondContact CE-OE1 3.28Å; K114-E118 WeakPolarHBondContact O-CG 3.43Å; K114-E118 PolarHBondContact O-N 3.11Å; E115-E118 PolarHBondContact O-N 3.36Å; E118-Q121 PolarHBondContact O-NE2 3.02Å; E118-Q121 VanDerWaalsContact O-NE2 3.07Å
119K98.5Very high97.9Very high116 Ų11641.3 Ų41.350%0.50419%0.191SC..Hα-helixtrans-79.2-38.2-172.3-169.7171.6-178.8174.70114L83 E115 Q121L83-K119 HydrophobicContact CD2-CD 4.26Å; E115-K119 WeakPolarHBondContact O-CB 3.46Å; E115-K119 PolarHBondContact O-N 2.86Å; K119-Q121 VanDerWaalsContact C-NE2 3.29Å; K119-Q121 PolarHBondContact O-NE2 3.33Å
120Y98.5Very high97.7Very high48 Ų4841.3 Ų41.319%0.18819%0.191CC..Hα-helixtrans-117.3-0.4-173.3-57.9-68.2000114.1C29 P81 L83 A116 V122C29-Y120 HydrophobicContact CB-CD2 3.66Å; C29-Y120 HydrophobicContact CB-CE2 3.79Å; C29-Y120 HydrophobicContact CB-CG 4.11Å; C29-Y120 VanDerWaalsContact SG-CD2 3.53Å; P81-Y120 HydrophobicContact CB-CE1 4.22Å; P81-Y120 WeakPolarHBondContact CB-OH 3.34Å; P81-Y120 HydrophobicContact CG-CD1 4.41Å; P81-Y120 HydrophobicContact CG-CE1 3.7Å; P81-Y120 HydrophobicContact CG-CE2 4.48Å; L83-Y120 HydrophobicContact CD1-CD2 4.08Å; L83-Y120 HydrophobicContact CD1-CE2 3.84Å; L83-Y120 HydrophobicContact CD2-CE2 3.97Å; L83-Y120 HydrophobicContact CG-CE2 3.85Å; A116-Y120 PolarHBondContact O-N 2.96Å; Y120-V122 VanDerWaalsContact C-N 3.26Å; Y120-V122 PolarHBondContact O-N 3.04Å
121Q98.4Very high97.3Very high106 Ų10642.9 Ų42.950%0.49521%0.205SC..  trans54.245-179.1-54.782.160.300111.3K2 K117 E118 K119K2-Q121 HydrophobicContact CD-CB 4.49Å; K2-Q121 VanDerWaalsContact CD-O 3.27Å; K2-Q121 WeakPolarHBondContact CD-O 3.26Å; K117-Q121 WeakPolarHBondContact O-CA 3.36Å; K117-Q121 PolarHBondContact O-N 3.49Å; E118-Q121 PolarHBondContact O-NE2 3.02Å; E118-Q121 VanDerWaalsContact O-NE2 3.07Å; K119-Q121 VanDerWaalsContact C-NE2 3.29Å; K119-Q121 PolarHBondContact O-NE2 3.33Å
122V98.7Very high96.9Very high3 Ų340.2 Ų40.22%0.01820%0.198CC..  trans-67.5145.1175.1-60.10000109.8V4 V28 A116 K117 Y120 L148V4-V122 HydrophobicContact CB-CB 4.45Å; V4-V122 HydrophobicContact CB-CG1 3.96Å; V4-V122 HydrophobicContact CB-CG2 4.41Å; V4-V122 HydrophobicContact CG1-CB 4.35Å; V4-V122 HydrophobicContact CG1-CG1 4.39Å; V4-V122 HydrophobicContact CG1-CG2 3.99Å; V28-V122 HydrophobicContact CG2-CG1 3.45Å; V28-V122 VanDerWaalsContact CG2-CG1 3.45Å; A116-V122 HydrophobicContact CB-CG2 3.97Å; K117-V122 HydrophobicContact CB-CG2 4.16Å; Y120-V122 VanDerWaalsContact C-N 3.26Å; Y120-V122 PolarHBondContact O-N 3.04Å; V122-L148 HydrophobicContact CG2-CD2 4.15Å; V122-L148 VanDerWaalsContact O-CD2 3.23Å; V122-L148 WeakPolarHBondContact O-CD2 3.35Å
123E98.8Very high96.6Very high99 Ų9946.2 Ų46.246%0.46322%0.224SC..  trans-111.8-15.9179.1-61.8166.5103.900110.8M1 K2 E149M1-E123 WeakPolarHBondContact CA-OE2 3.44Å; M1-E123 HydrophobicContact CB-CB 4Å; M1-E123 HydrophobicContact CG-CB 4.03Å; M1-E123 HydrophobicContact SD-CB 4.4Å; K2-E123 PolarHBondContact N-OE2 2.9Å; K2-E123 PolarHBondContact O-N 2.91Å; E123-E149 PolarHBondContact O-N 3.25Å
124A98.8Very high96.1Very high0 Ų047.5 Ų47.50%023%0.229CC..EExtended strand (participates in β ladder)trans-148.7155.8-177.500000113.3M1 K2 V3 V4 E149 L151M1-A124 HydrophobicContact CB-CB 4.4Å; M1-A124 HydrophobicContact CE-CB 4.33Å; M1-A124 HydrophobicContact SD-CB 4.1Å; K2-A124 PolarHBondContact O-N 3.39Å; V3-A124 WeakPolarHBondContact CA-O 3.45Å; V3-A124 HydrophobicContact CG2-CB 4.27Å; V4-A124 PolarHBondContact N-O 2.96Å; A124-E149 CarbonylContact C-O 3.6Å; A124-E149 WeakPolarHBondContact CA-O 3.26Å; A124-E149 HydrophobicContact CB-CB 3.87Å; A124-E149 VanDerWaalsContact CB-O 3.32Å; A124-E149 WeakPolarHBondContact CB-O 3.37Å; A124-L151 HydrophobicContact CB-CD1 3.7Å; A124-L151 HydrophobicContact CB-CG 3.95Å
125V98.8Very high95.8Very high1 Ų146 Ų461%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-113.5122.1176.3-1760000109.4V4 L6 M113 V139 L148 E149 L151V4-V125 HydrophobicContact CG1-CB 4.27Å; V4-V125 HydrophobicContact CG1-CG1 4.32Å; V4-V125 HydrophobicContact CG1-CG2 3.85Å; L6-V125 HydrophobicContact CB-CG1 4.48Å; M113-V125 HydrophobicContact CG-CG2 4.33Å; M113-V125 HydrophobicContact SD-CB 4.41Å; M113-V125 HydrophobicContact SD-CG1 3.82Å; M113-V125 HydrophobicContact SD-CG2 3.65Å; V125-V139 HydrophobicContact CG1-CG1 4.45Å; V125-L148 HydrophobicContact CG2-CB 4.4Å; V125-L148 HydrophobicContact CG2-CD1 3.9Å; V125-E149 PolarHBondContact N-O 2.84Å; V125-L151 PolarHBondContact O-N 3.4Å
126A98.6Very high95.5Very high2 Ų245.7 Ų45.72%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-86.3125.6170.900000110.3V3 V4 L6 L17 C20 L151V3-A126 HydrophobicContact CG1-CB 3.68Å; V4-A126 PolarHBondContact O-N 3.15Å; L6-A126 WeakPolarHBondContact CB-O 3.16Å; L6-A126 PolarHBondContact N-O 3.2Å; L17-A126 HydrophobicContact CD1-CB 4.04Å; C20-A126 WeakPolarHBondContact SG-CB 3.49Å; A126-L151 WeakPolarHBondContact CA-O 3.48Å
127V97.2Very high95.3Very high8 Ų848.8 Ų48.85%0.04824%0.235CC..  trans-127.3130.6-177.9590000111.5N16 A129 V139 M150 L151 A152N16-V127 PolarHBondContact ND2-N 3.19Å; N16-V127 VanDerWaalsContact ND2-N 3.14Å; N16-V127 PolarHBondContact ND2-O 3.17Å; V127-A129 HydrophobicContact CG2-CB 4.1Å; V127-V139 HydrophobicContact CB-CG1 4.31Å; V127-V139 HydrophobicContact CG1-CG1 4.44Å; V127-V139 HydrophobicContact CG2-CG1 4.43Å; V127-V139 HydrophobicContact CG2-CG2 4.17Å; V127-M150 HydrophobicContact CG1-CG 3.74Å; V127-M150 HydrophobicContact CG1-SD 4.03Å; V127-L151 PolarHBondContact N-O 3.26Å; V127-A152 HydrophobicContact CG1-CB 3.6Å
128G94.6Very high95.2Very high11 Ų1145.8 Ų45.811%0.11322%0.222CC..  trans-85.52.4-176.200000116.1D12 I130D12-G128 VanDerWaalsContact CB-O 3.29Å; D12-G128 WeakPolarHBondContact CB-O 3.37Å; G128-I130 PolarHBondContact O-N 3.48Å
129A92Very high95.2Very high8 Ų839.9 Ų39.97%0.06620%0.195CC..  trans-65.2126.3-17700000111.3V127 Q135V127-A129 HydrophobicContact CG2-CB 4.1Å; A129-Q135 HydrophobicContact CB-CB 4.2Å
130I92.4Very high95.1Very high0 Ų035.9 Ų35.90%018%0.183CC..SBendtrans-92.2-54.6-175.7-48.4174.5000110.4D12 G128 L154 W155 Q156 L162 C212 E214D12-I130 HydrophobicContact CB-CD1 4.43Å; D12-I130 HydrophobicContact CB-CG1 4.5Å; G128-I130 PolarHBondContact O-N 3.48Å; I130-L154 HydrophobicContact CG1-CB 4.06Å; I130-L154 HydrophobicContact CG1-CD1 4.33Å; I130-L154 HydrophobicContact CG2-CB 4.49Å; I130-L154 VanDerWaalsContact CG2-O 3.26Å; I130-L154 WeakPolarHBondContact CG2-O 3.23Å; I130-W155 CarbonylContact O-C 3.43Å; I130-W155 WeakPolarHBondContact O-CA 3.48Å; I130-Q156 PolarHBondContact O-N 3.2Å; I130-L162 HydrophobicContact CD1-CD2 3.77Å; I130-L162 HydrophobicContact CG1-CD2 4.19Å; I130-L162 HydrophobicContact CG2-CD2 3.95Å; I130-C212 HydrophobicContact CD1-CB 3.76Å; I130-E214 HydrophobicContact CB-CG 4.1Å; I130-E214 WeakPolarHBondContact CB-OE2 3.41Å; I130-E214 HydrophobicContact CD1-CG 3.99Å; I130-E214 HydrophobicContact CG1-CG 4.36Å; I130-E214 PolarHBondContact N-OE2 3.16Å
131C90.5Very high95.1Very high62 Ų6234.6 Ų34.642%0.41918%0.18SC..SBendtrans-129.1-10-174.2-75.20000114.2K133 Q159 E214C131-K133 PolarHBondContact O-N 3.2Å; C131-Q159 PolarHBondContact SG-NE2 3.03Å; C131-E214 PolarHBondContact N-OE2 3.01Å
132S89.9Confident95.1Very high36 Ų3629.6 Ų29.625%0.25216%0.156SC..  trans-68.295.5177.8-176.80000112Y134 Q135 K136S132-Y134 PolarHBondContact O-N 2.98Å; S132-Q135 PolarHBondContact O-N 3.12Å; S132-Q135 WeakPolarHBondContact OG-CG 3.44Å; S132-Q135 PolarHBondContact OG-N 3.45Å; S132-Q135 PolarHBondContact OG-OE1 3.49Å; S132-K136 PolarHBondContact O-N 3.38Å
133K90.7Very high95.1Very high126 Ų12629.7 Ų29.755%0.54816%0.157SC..Hα-helixtrans-61.1-32.1174.1-175.4176.8170.5-1770111.7M96 C131 K136 E137 W155M96-K133 HydrophobicContact CE-CB 3.73Å; M96-K133 HydrophobicContact CE-CD 3.51Å; M96-K133 HydrophobicContact CE-CG 3.43Å; M96-K133 VanDerWaalsContact CE-CG 3.43Å; C131-K133 PolarHBondContact O-N 3.2Å; K133-K136 PolarHBondContact O-N 3.23Å; K133-E137 WeakPolarHBondContact O-CB 3.49Å; K133-E137 PolarHBondContact O-N 3.01Å; K133-W155 HydrophobicContact CB-CH2 4.08Å
134Y89.3Confident95.1Very high29 Ų2932.3 Ų32.311%0.11417%0.169CC..Hα-helixtrans-59.1-49.4175.3-179.2-87.6000111.8M62 S132 R138M62-Y134 HydrophobicContact CG-CD1 4.48Å; M62-Y134 HydrophobicContact CG-CE1 3.76Å; M62-Y134 HydrophobicContact SD-CD1 3.61Å; M62-Y134 HydrophobicContact SD-CE1 3.45Å; M62-Y134 WeakPolarHBondContact SD-CE1 3.45Å; S132-Y134 PolarHBondContact O-N 2.98Å; Y134-R138 VanDerWaalsContact CD2-CZ 3.5Å; Y134-R138 VanDerWaalsContact CZ-NH2 3.35Å; Y134-R138 PolarHBondContact O-N 3.25Å; Y134-R138 PolarHBondContact O-NH1 3.42Å; Y134-R138 PolarHBondContact OH-NE 2.73Å; Y134-R138 PolarHBondContact OH-NH2 2.98Å
135Q90.6Very high95Very high52 Ų5236.6 Ų36.624%0.24319%0.186CC..Hα-helixtrans-67.2-46.1177.4-74.7172.7-29.400111.5M62 A129 S132 E137 R138 V139M62-Q135 HydrophobicContact CE-CB 4.27Å; M62-Q135 HydrophobicContact CE-CG 4.21Å; M62-Q135 PolarHBondContact O-NE2 2.83Å; M62-Q135 HydrophobicContact SD-CB 4.22Å; M62-Q135 HydrophobicContact SD-CG 3.79Å; A129-Q135 HydrophobicContact CB-CB 4.2Å; S132-Q135 PolarHBondContact O-N 3.12Å; S132-Q135 WeakPolarHBondContact OG-CG 3.44Å; S132-Q135 PolarHBondContact OG-N 3.45Å; S132-Q135 PolarHBondContact OG-OE1 3.49Å; Q135-E137 PolarHBondContact O-N 3.11Å; Q135-R138 PolarHBondContact O-N 3.35Å; Q135-V139 WeakPolarHBondContact O-CG2 3.47Å; Q135-V139 PolarHBondContact O-N 2.89Å; Q135-V139 VanDerWaalsContact O-N 3.08Å
136K93.6Very high95Very high61 Ų6137.5 Ų37.527%0.26519%0.19SC..Hα-helixtrans-57.4-46.7179.9-174.4-175-179.5-175.90112.2S132 K133 R138 V139 A140 M150 W155S132-K136 PolarHBondContact O-N 3.38Å; K133-K136 PolarHBondContact O-N 3.23Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-R138 PolarHBondContact O-N 3.09Å; K136-V139 PolarHBondContact O-N 3.02Å; K136-A140 WeakPolarHBondContact O-CB 3.37Å; K136-A140 PolarHBondContact O-N 3.42Å; K136-M150 HydrophobicContact CD-CE 4.34Å; K136-M150 HydrophobicContact CG-CE 3.71Å; K136-M150 HydrophobicContact CG-SD 4.4Å; K136-W155 HydrophobicContact CB-CE3 4.37Å; K136-W155 HydrophobicContact CB-CH2 4.17Å; K136-W155 HydrophobicContact CB-CZ3 3.89Å; K136-W155 HydrophobicContact CD-CD2 3.58Å; K136-W155 HydrophobicContact CD-CE3 3.68Å; K136-W155 HydrophobicContact CD-CG 4.31Å; K136-W155 HydrophobicContact CD-CH2 3.72Å; K136-W155 HydrophobicContact CD-CZ2 3.6Å; K136-W155 HydrophobicContact CD-CZ3 3.74Å; K136-W155 HydrophobicContact CG-CE3 4.44Å; K136-W155 HydrophobicContact CG-CZ3 4.37Å; K136-W155 VanDerWaalsContact NZ-CE2 3.33Å
137E94.9Very high95Very high65 Ų6543.8 Ų43.830%0.30422%0.224SC..Hα-helixtrans-59.8-43.6-178.7-176.674.6174.600111.9M96 K133 Q135 A140 N141M96-E137 WeakPolarHBondContact O-CG 3.26Å; K133-E137 WeakPolarHBondContact O-CB 3.49Å; K133-E137 PolarHBondContact O-N 3.01Å; Q135-E137 PolarHBondContact O-N 3.11Å; E137-A140 PolarHBondContact O-N 2.85Å; E137-N141 WeakPolarHBondContact O-CB 3.3Å; E137-N141 PolarHBondContact O-N 3.19Å
138R96.8Very high95.1Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-68.4-43.4-178.2-77165.2177.168.86.8112M62 V93 D95 Y98 V106 Y134 Q135 K136 A140 N141 V142M62-R138 HydrophobicContact CE-CB 3.62Å; M62-R138 HydrophobicContact CE-CG 4.43Å; M62-R138 HydrophobicContact SD-CB 4.01Å; M62-R138 WeakPolarHBondContact SD-CD 3.4Å; M62-R138 HydrophobicContact SD-CG 4.22Å; V93-R138 PolarHBondContact O-NH2 3.21Å; D95-R138 PolarHBondContact O-NH2 3.44Å; Y98-R138 HydrophobicContact CD2-CG 3.79Å; Y98-R138 HydrophobicContact CG-CG 3.83Å; V106-R138 HydrophobicContact CG1-CB 4.08Å; V106-R138 HydrophobicContact CG1-CG 4.35Å; V106-R138 HydrophobicContact CG2-CB 3.78Å; V106-R138 HydrophobicContact CG2-CG 3.55Å; Y134-R138 VanDerWaalsContact CD2-CZ 3.5Å; Y134-R138 VanDerWaalsContact CZ-NH2 3.35Å; Y134-R138 PolarHBondContact O-N 3.25Å; Y134-R138 PolarHBondContact O-NH1 3.42Å; Y134-R138 PolarHBondContact OH-NE 2.73Å; Y134-R138 PolarHBondContact OH-NH2 2.98Å; Q135-R138 PolarHBondContact O-N 3.35Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-R138 PolarHBondContact O-N 3.09Å; R138-A140 VanDerWaalsContact C-N 3.34Å; R138-N141 PolarHBondContact O-N 2.8Å; R138-V142 WeakPolarHBondContact O-CG2 2.89Å; R138-V142 PolarHBondContact O-N 2.96Å; R138-V142 VanDerWaalsContact O-N 3.12Å
139V97Very high95.3Very high5 Ų549.2 Ų49.23%0.0325%0.246CC..Hα-helixtrans-64.2-42.5174.21800000110.4L6 M62 L109 V125 V127 Q135 K136 N141 V142 C143 M150L6-V139 HydrophobicContact CD2-CG2 4.49Å; M62-V139 HydrophobicContact CE-CG2 4.38Å; L109-V139 HydrophobicContact CD2-CG2 3.96Å; V125-V139 HydrophobicContact CG1-CG1 4.45Å; V127-V139 HydrophobicContact CB-CG1 4.31Å; V127-V139 HydrophobicContact CG1-CG1 4.44Å; V127-V139 HydrophobicContact CG2-CG1 4.43Å; V127-V139 HydrophobicContact CG2-CG2 4.17Å; Q135-V139 WeakPolarHBondContact O-CG2 3.47Å; Q135-V139 PolarHBondContact O-N 2.89Å; Q135-V139 VanDerWaalsContact O-N 3.08Å; K136-V139 PolarHBondContact O-N 3.02Å; V139-N141 PolarHBondContact O-N 2.98Å; V139-V142 PolarHBondContact O-N 3.44Å; V139-C143 WeakPolarHBondContact O-CB 3.42Å; V139-C143 PolarHBondContact O-N 3.26Å; V139-C143 PolarHBondContact O-SG 3.24Å; V139-C143 VanDerWaalsContact O-SG 3.34Å; V139-M150 HydrophobicContact CB-SD 4.02Å; V139-M150 HydrophobicContact CG1-CG 4.15Å; V139-M150 HydrophobicContact CG1-SD 3.76Å
140A97.4Very high95.6Very high31 Ų3151 Ų5126%0.25625%0.253SS..Hα-helixtrans-60.6-42.8176.900000112.2K136 E137 R138 V142 C143 E144 M150K136-A140 WeakPolarHBondContact O-CB 3.37Å; K136-A140 PolarHBondContact O-N 3.42Å; E137-A140 PolarHBondContact O-N 2.85Å; R138-A140 VanDerWaalsContact C-N 3.34Å; A140-V142 PolarHBondContact O-N 2.98Å; A140-C143 PolarHBondContact O-N 3.39Å; A140-E144 WeakPolarHBondContact O-CB 3.17Å; A140-E144 PolarHBondContact O-N 3.28Å; A140-M150 HydrophobicContact CB-CE 4.05Å; A140-M150 HydrophobicContact CB-SD 4.06Å
141N97.9Very high95.9Very high22 Ų2251.8 Ų51.812%0.11826%0.257CS..Hα-helixtrans-61.8-43.4176.4-176-92.1000112.4Y98 E137 R138 V139 E144 R145Y98-N141 HydrophobicContact CD1-CB 3.85Å; Y98-N141 WeakPolarHBondContact CD1-OD1 3.48Å; E137-N141 WeakPolarHBondContact O-CB 3.3Å; E137-N141 PolarHBondContact O-N 3.19Å; R138-N141 PolarHBondContact O-N 2.8Å; V139-N141 PolarHBondContact O-N 2.98Å; N141-E144 PolarHBondContact O-N 2.78Å; N141-R145 WeakPolarHBondContact O-CD 3.43Å; N141-R145 WeakPolarHBondContact O-CG 3.25Å; N141-R145 PolarHBondContact O-N 2.82Å; N141-R145 VanDerWaalsContact O-N 3.09Å; N141-R145 WeakPolarHBondContact OD1-CD 3.4Å
142V98.5Very high96.2Very high1 Ų149.9 Ų49.91%0.00625%0.246CC..Hα-helixtrans-61.6-46.4175.2168.50000110.8V106 L109 F110 M113 R138 V139 A140 R145 L146V106-V142 HydrophobicContact CG1-CG2 3.77Å; L109-V142 HydrophobicContact CD2-CG2 4.27Å; L109-V142 HydrophobicContact CG-CG1 4.45Å; L109-V142 HydrophobicContact CG-CG2 4.33Å; F110-V142 HydrophobicContact CB-CG1 4.32Å; F110-V142 HydrophobicContact CB-CG2 4.12Å; F110-V142 HydrophobicContact CD2-CG1 4.33Å; M113-V142 HydrophobicContact CB-CG1 4Å; M113-V142 HydrophobicContact CG-CG1 3.88Å; R138-V142 WeakPolarHBondContact O-CG2 2.89Å; R138-V142 PolarHBondContact O-N 2.96Å; R138-V142 VanDerWaalsContact O-N 3.12Å; V139-V142 PolarHBondContact O-N 3.44Å; A140-V142 PolarHBondContact O-N 2.98Å; V142-R145 PolarHBondContact O-N 2.76Å; V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 WeakPolarHBondContact O-CB 3.38Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.39Å; V142-L146 VanDerWaalsContact O-N 3.1Å
143C98.6Very high96.6Very high4 Ų450.9 Ų50.93%0.02725%0.245CC..Hα-helixtrans-60.4-46.1178.3-75.90000112.2V139 A140 L146 D147 L148 M150V139-C143 WeakPolarHBondContact O-CB 3.42Å; V139-C143 PolarHBondContact O-N 3.26Å; V139-C143 PolarHBondContact O-SG 3.24Å; V139-C143 VanDerWaalsContact O-SG 3.34Å; A140-C143 PolarHBondContact O-N 3.39Å; C143-L146 CarbonylContact O-C 3.32Å; C143-L146 PolarHBondContact O-N 2.97Å; C143-D147 PolarHBondContact O-N 2.91Å; C143-L148 HydrophobicContact CB-CB 4.32Å; C143-L148 WeakPolarHBondContact CB-O 3.11Å; C143-L148 PolarHBondContact O-N 3.46Å; C143-M150 HydrophobicContact CB-CB 4.4Å
144E98.3Very high97Very high155 Ų15544.9 Ų44.972%0.72422%0.219SC*.Hα-helixtrans-59.3-49.1177.8-178.2179.5-166.200111.6A140 N141 L146 D147A140-E144 WeakPolarHBondContact O-CB 3.17Å; A140-E144 PolarHBondContact O-N 3.28Å; N141-E144 PolarHBondContact O-N 2.78Å; E144-L146 PolarHBondContact O-N 3.44Å; E144-D147 PolarHBondContact O-N 2.88Å
145R98.4Very high97.3Very high90 Ų9046 Ų4634%0.3422%0.223SC..Hα-helixtrans-64.8-25.8179.6-71165.254.1-170.7-2.3113.6E107 F110 N141 V142E107-R145 VanDerWaalsContact CD-NH1 3.28Å; E107-R145 IonicContact OE1-CZ 3.8Å; E107-R145 IonicContact OE1-NH1 2.98Å; E107-R145 PolarHBondContact OE1-NH1 3.31Å; E107-R145 IonicContact OE1-NH2 3.95Å; E107-R145 IonicContact OE2-CZ 3.29Å; E107-R145 VanDerWaalsContact OE2-CZ 3.29Å; E107-R145 IonicContact OE2-NH1 3.9Å; E107-R145 PolarHBondContact OE2-NH1 3.01Å; E107-R145 IonicContact OE2-NH2 2.7Å; E107-R145 PolarHBondContact OE2-NH2 3.03Å; F110-R145 HydrophobicContact CD2-CB 4.31Å; F110-R145 HydrophobicContact CE2-CB 3.76Å; N141-R145 WeakPolarHBondContact O-CD 3.43Å; N141-R145 WeakPolarHBondContact O-CG 3.25Å; N141-R145 PolarHBondContact O-N 2.82Å; N141-R145 VanDerWaalsContact O-N 3.09Å; N141-R145 WeakPolarHBondContact OD1-CD 3.4Å; V142-R145 PolarHBondContact O-N 2.76Å
146L98.5Very high97.6Very high20 Ų2050.3 Ų50.311%0.10524%0.243CC..Hα-helixtrans-99.10.3179.6-70.2177000113.3F110 M113 K114 K117 V142 C143 E144 L148F110-L146 HydrophobicContact CD2-CD1 4.07Å; F110-L146 HydrophobicContact CD2-CD2 4.12Å; F110-L146 HydrophobicContact CD2-CG 3.84Å; F110-L146 HydrophobicContact CE1-CD2 4.35Å; F110-L146 HydrophobicContact CE2-CD1 4.18Å; F110-L146 HydrophobicContact CE2-CD2 3.4Å; F110-L146 VanDerWaalsContact CE2-CD2 3.4Å; F110-L146 HydrophobicContact CE2-CG 3.49Å; F110-L146 VanDerWaalsContact CE2-CG 3.49Å; F110-L146 HydrophobicContact CZ-CD2 3.54Å; F110-L146 HydrophobicContact CZ-CG 4.17Å; M113-L146 HydrophobicContact CB-CD1 3.47Å; M113-L146 VanDerWaalsContact CB-CD1 3.47Å; K114-L146 HydrophobicContact CB-CD1 4.33Å; K114-L146 HydrophobicContact CB-CD2 4.01Å; K114-L146 HydrophobicContact CG-CD2 4.29Å; K117-L146 WeakPolarHBondContact CD-O 3.46Å; K117-L146 PolarHBondContact NZ-O 2.92Å; V142-L146 HydrophobicContact CG1-CD1 3.92Å; V142-L146 WeakPolarHBondContact O-CB 3.38Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.39Å; V142-L146 VanDerWaalsContact O-N 3.1Å; C143-L146 CarbonylContact O-C 3.32Å; C143-L146 PolarHBondContact O-N 2.97Å; E144-L146 PolarHBondContact O-N 3.44Å; L146-L148 HydrophobicContact CB-CD1 3.85Å; L146-L148 HydrophobicContact CB-CG 4.01Å; L146-L148 HydrophobicContact CD1-CD1 4.11Å
147D98.6Very high97.8Very high134 Ų13450 Ų5072%0.71724%0.24SC*.THydrogen-bonded Turntrans52.458.1-173.5-175.650.8000110.8K117 C143 E144K117-D147 PolarHBondContact NZ-O 2.82Å; K117-D147 IonicContact NZ-OD2 2.76Å; C143-D147 PolarHBondContact O-N 2.91Å; E144-D147 PolarHBondContact O-N 2.88Å
148L98.8Very high97.9Very high13 Ų1351.3 Ų51.37%0.06825%0.249CC..  trans-124.8144.1176.5-68.3172.3000109.4M113 K117 V122 V125 C143 L146M113-L148 HydrophobicContact CB-CD1 4.34Å; K117-L148 HydrophobicContact CD-CD2 3.88Å; K117-L148 HydrophobicContact CD-CG 4.2Å; K117-L148 HydrophobicContact CG-CD2 4.3Å; V122-L148 HydrophobicContact CG2-CD2 4.15Å; V122-L148 VanDerWaalsContact O-CD2 3.23Å; V122-L148 WeakPolarHBondContact O-CD2 3.35Å; V125-L148 HydrophobicContact CG2-CB 4.4Å; V125-L148 HydrophobicContact CG2-CD1 3.9Å; C143-L148 HydrophobicContact CB-CB 4.32Å; C143-L148 WeakPolarHBondContact CB-O 3.11Å; C143-L148 PolarHBondContact O-N 3.46Å; L146-L148 HydrophobicContact CB-CD1 3.85Å; L146-L148 HydrophobicContact CB-CG 4.01Å; L146-L148 HydrophobicContact CD1-CD1 4.11Å
149E98.5Very high97.8Very high119 Ų11952.6 Ų52.656%0.55626%0.255SS*.EExtended strand (participates in β ladder)trans-79.5138.9172.3-71.9-66168.600111.2M1 E123 A124 V125M1-E149 HydrophobicContact CE-CB 4.39Å; M1-E149 HydrophobicContact SD-CB 4.05Å; M1-E149 HydrophobicContact SD-CG 3.94Å; E123-E149 PolarHBondContact O-N 3.25Å; A124-E149 CarbonylContact C-O 3.6Å; A124-E149 WeakPolarHBondContact CA-O 3.26Å; A124-E149 HydrophobicContact CB-CB 3.87Å; A124-E149 VanDerWaalsContact CB-O 3.32Å; A124-E149 WeakPolarHBondContact CB-O 3.37Å; V125-E149 PolarHBondContact N-O 2.84Å
150M98.4Very high97.8Very high45 Ų4553.1 Ų53.122%0.22226%0.26CS..EExtended strand (participates in β ladder)trans-98.1118.8174.7-173.218067.100110.6V127 K136 V139 A140 C143V127-M150 HydrophobicContact CG1-CG 3.74Å; V127-M150 HydrophobicContact CG1-SD 4.03Å; K136-M150 HydrophobicContact CD-CE 4.34Å; K136-M150 HydrophobicContact CG-CE 3.71Å; K136-M150 HydrophobicContact CG-SD 4.4Å; V139-M150 HydrophobicContact CB-SD 4.02Å; V139-M150 HydrophobicContact CG1-CG 4.15Å; V139-M150 HydrophobicContact CG1-SD 3.76Å; A140-M150 HydrophobicContact CB-CE 4.05Å; A140-M150 HydrophobicContact CB-SD 4.06Å; C143-M150 HydrophobicContact CB-CB 4.4Å
151L98.6Very high97.8Very high17 Ų1756.4 Ų56.49%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-103.698179.5-58.6175.6000110.2M1 V3 N16 H25 A124 V125 A126 V127 Y153M1-L151 HydrophobicContact CE-CD1 4.49Å; M1-L151 HydrophobicContact CE-CD2 4.1Å; V3-L151 HydrophobicContact CG1-CD1 4.33Å; V3-L151 HydrophobicContact CG2-CD1 3.79Å; N16-L151 PolarHBondContact ND2-O 3.48Å; H25-L151 VanDerWaalsContact CD2-CD1 3.46Å; H25-L151 WeakPolarHBondContact CD2-CD1 3.47Å; A124-L151 HydrophobicContact CB-CD1 3.7Å; A124-L151 HydrophobicContact CB-CG 3.95Å; V125-L151 PolarHBondContact O-N 3.4Å; A126-L151 WeakPolarHBondContact CA-O 3.48Å; V127-L151 PolarHBondContact N-O 3.26Å; L151-Y153 HydrophobicContact CB-CD2 4.49Å; L151-Y153 HydrophobicContact CB-CE2 3.96Å; L151-Y153 HydrophobicContact CD2-CE2 4.47Å
152A97.7Very high97.8Very high22 Ų2255.3 Ų55.318%0.18226%0.264CS..  trans-121.966.4-176.500000111.1V127 L154 W155V127-A152 HydrophobicContact CG1-CB 3.6Å; A152-L154 PolarHBondContact O-N 3.32Å; A152-W155 HydrophobicContact CB-CB 4.35Å; A152-W155 VanDerWaalsContact O-CB 3.26Å; A152-W155 WeakPolarHBondContact O-CB 3.47Å; A152-W155 PolarHBondContact O-N 3.45Å; A152-W155 VanDerWaalsContact O-N 3.15Å
153Y98.1Very high97.8Very high58 Ų5855.3 Ų55.323%0.22726%0.264CS..THydrogen-bonded Turntrans-66.2-17.9-173.6-65.8-75.7000114N16 Q19 C20 Y23 H25 L151 W155 R157N16-Y153 WeakPolarHBondContact OD1-CB 3.19Å; N16-Y153 PolarHBondContact OD1-N 2.97Å; Q19-Y153 HydrophobicContact CB-CD2 3.76Å; Q19-Y153 HydrophobicContact CB-CG 3.97Å; C20-Y153 HydrophobicContact CB-CE2 4.45Å; Y23-Y153 WeakPolarHBondContact CB-OH 3.37Å; Y23-Y153 HydrophobicContact CD1-CE1 4.07Å; Y23-Y153 HydrophobicContact CD2-CD1 4.01Å; Y23-Y153 AromaticContact CD2-CE1 3.61Å; Y23-Y153 HydrophobicContact CD2-CE1 3.61Å; Y23-Y153 HydrophobicContact CD2-CE2 4.41Å; Y23-Y153 AromaticContact CD2-CZ 3.83Å; Y23-Y153 HydrophobicContact CE1-CE1 4.23Å; Y23-Y153 AromaticContact CE2-CD1 3.83Å; Y23-Y153 HydrophobicContact CE2-CD1 3.83Å; Y23-Y153 AromaticContact CE2-CE1 3.81Å; Y23-Y153 HydrophobicContact CE2-CE1 3.81Å; Y23-Y153 AromaticContact CG-CE1 3.76Å; Y23-Y153 HydrophobicContact CG-CE1 3.76Å; Y23-Y153 AromaticContact CG-CZ 3.84Å; H25-Y153 PolarHBondContact CD2-OH 2.91Å; H25-Y153 PolarHBondContact NE2-OH 3.48Å; H25-Y153 VanDerWaalsContact NE2-OH 3.13Å; L151-Y153 HydrophobicContact CB-CD2 4.49Å; L151-Y153 HydrophobicContact CB-CE2 3.96Å; L151-Y153 HydrophobicContact CD2-CE2 4.47Å; Y153-W155 VanDerWaalsContact C-N 3.31Å; Y153-R157 WeakPolarHBondContact O-CD 3.14Å
154L97.8Very high97.8Very high0 Ų060 Ų600%028%0.281CS..THydrogen-bonded Turntrans-85.5-9.9179.9-44.7-166.8000112.2D12 Y15 N16 Q19 I130 A152 Q156 R157 L162 M166D12-L154 HydrophobicContact CB-CD1 3.99Å; D12-L154 WeakPolarHBondContact O-CD1 3.25Å; Y15-L154 HydrophobicContact CD1-CD1 4.33Å; Y15-L154 HydrophobicContact CD1-CD2 3.58Å; Y15-L154 HydrophobicContact CE1-CD2 3.97Å; N16-L154 HydrophobicContact CB-CD1 4.09Å; N16-L154 HydrophobicContact CB-CD2 4.37Å; N16-L154 HydrophobicContact CB-CG 3.96Å; Q19-L154 HydrophobicContact CG-CD2 4.4Å; I130-L154 HydrophobicContact CG1-CB 4.06Å; I130-L154 HydrophobicContact CG1-CD1 4.33Å; I130-L154 HydrophobicContact CG2-CB 4.49Å; I130-L154 VanDerWaalsContact CG2-O 3.26Å; I130-L154 WeakPolarHBondContact CG2-O 3.23Å; A152-L154 PolarHBondContact O-N 3.32Å; L154-Q156 PolarHBondContact O-N 2.72Å; L154-R157 WeakPolarHBondContact O-CB 3.37Å; L154-R157 WeakPolarHBondContact O-CG 3.49Å; L154-R157 PolarHBondContact O-N 2.9Å; L154-L162 HydrophobicContact CB-CD2 4.1Å; L154-L162 HydrophobicContact CD1-CD2 4.46Å; L154-L162 HydrophobicContact CD2-CD1 4.02Å; L154-M166 HydrophobicContact CD1-CE 3.84Å
155W97.5Very high97.8Very high52 Ų5255.6 Ų55.620%0.19726%0.26CS..THydrogen-bonded Turntrans-55.8125.2-170-177.6-108.1000112.9I130 K133 K136 A152 Y153 R157I130-W155 CarbonylContact O-C 3.43Å; I130-W155 WeakPolarHBondContact O-CA 3.48Å; K133-W155 HydrophobicContact CB-CH2 4.08Å; K136-W155 HydrophobicContact CB-CE3 4.37Å; K136-W155 HydrophobicContact CB-CH2 4.17Å; K136-W155 HydrophobicContact CB-CZ3 3.89Å; K136-W155 HydrophobicContact CD-CD2 3.58Å; K136-W155 HydrophobicContact CD-CE3 3.68Å; K136-W155 HydrophobicContact CD-CG 4.31Å; K136-W155 HydrophobicContact CD-CH2 3.72Å; K136-W155 HydrophobicContact CD-CZ2 3.6Å; K136-W155 HydrophobicContact CD-CZ3 3.74Å; K136-W155 HydrophobicContact CG-CE3 4.44Å; K136-W155 HydrophobicContact CG-CZ3 4.37Å; K136-W155 VanDerWaalsContact NZ-CE2 3.33Å; A152-W155 HydrophobicContact CB-CB 4.35Å; A152-W155 VanDerWaalsContact O-CB 3.26Å; A152-W155 WeakPolarHBondContact O-CB 3.47Å; A152-W155 PolarHBondContact O-N 3.45Å; A152-W155 VanDerWaalsContact O-N 3.15Å; Y153-W155 VanDerWaalsContact C-N 3.31Å; W155-R157 PolarHBondContact O-N 2.76Å; W155-R157 VanDerWaalsContact O-N 3.16Å
156Q95.7Very high97.8Very high142 Ų14251.3 Ų51.366%0.66424%0.244SC*.THydrogen-bonded Turntrans5819.8177.8-71.1177.6-2.900115.7I130 L154I130-Q156 PolarHBondContact O-N 3.2Å; L154-Q156 PolarHBondContact O-N 2.72Å
157R97.4Very high97.8Very high56 Ų5651.5 Ų51.521%0.21125%0.245CC..  trans-71.7155173.9-65-166.965.5-169-3.8111.9Y153 L154 W155 Q159 L162 E165Y153-R157 WeakPolarHBondContact O-CD 3.14Å; L154-R157 WeakPolarHBondContact O-CB 3.37Å; L154-R157 WeakPolarHBondContact O-CG 3.49Å; L154-R157 PolarHBondContact O-N 2.9Å; W155-R157 PolarHBondContact O-N 2.76Å; W155-R157 VanDerWaalsContact O-N 3.16Å; R157-Q159 PolarHBondContact O-N 2.88Å; R157-Q159 PolarHBondContact O-NE2 3.4Å; R157-L162 HydrophobicContact CB-CB 4.37Å; R157-L162 HydrophobicContact CB-CD2 4.2Å; R157-E165 IonicContact CZ-OE1 3.35Å; R157-E165 IonicContact CZ-OE2 2.76Å; R157-E165 IonicContact NH1-OE2 3.14Å; R157-E165 PolarHBondContact NH1-OE2 3.04Å; R157-E165 IonicContact NH2-OE1 3.88Å; R157-E165 PolarHBondContact NH2-OE1 3.01Å; R157-E165 IonicContact NH2-OE2 2.77Å; R157-E165 PolarHBondContact NH2-OE2 3.28Å
158D96.7Very high97.8Very high92 Ų9251.8 Ų51.849%0.49225%0.247SC..  trans-64.5130.1170.6178.3-93.5000110.1A160 E161 L162D158-A160 PolarHBondContact O-N 2.84Å; D158-A160 PolarHBondContact OD1-N 3.19Å; D158-E161 HydrophobicContact CB-CB 4.01Å; D158-E161 WeakPolarHBondContact OD1-CB 3.37Å; D158-E161 PolarHBondContact OD1-N 3.04Å; D158-L162 WeakPolarHBondContact O-CB 3.48Å; D158-L162 PolarHBondContact O-N 2.99Å
159Q95.3Very high97.7Very high27 Ų2753.5 Ų53.513%0.12626%0.26CS..Hα-helixtrans-71-36-170.4-53.3-57.5-52.500112.2C131 R157 L163 V211 C212C131-Q159 PolarHBondContact SG-NE2 3.03Å; R157-Q159 PolarHBondContact O-N 2.88Å; R157-Q159 PolarHBondContact O-NE2 3.4Å; Q159-L163 WeakPolarHBondContact O-CB 3.44Å; Q159-L163 PolarHBondContact O-N 2.97Å; Q159-V211 HydrophobicContact CB-CB 4.33Å; Q159-C212 HydrophobicContact CB-CB 4.29Å; Q159-C212 PolarHBondContact O-SG 3.41Å; Q159-C212 PolarHBondContact OE1-SG 3.2Å
160A96.7Very high97.6Very high15 Ų1549.6 Ų49.612%0.12425%0.251CS..Hα-helixtrans-77.3-37.8-177.800000111.6D158 R164 L201 V211D158-A160 PolarHBondContact O-N 2.84Å; D158-A160 PolarHBondContact OD1-N 3.19Å; A160-R164 VanDerWaalsContact C-NH1 3.34Å; A160-R164 VanDerWaalsContact O-CG 3.3Å; A160-R164 WeakPolarHBondContact O-CG 3.13Å; A160-R164 PolarHBondContact O-N 3.34Å; A160-R164 PolarHBondContact O-NH1 3.11Å; A160-L201 HydrophobicContact CB-CD2 3.95Å; A160-V211 HydrophobicContact CB-CG2 4.44Å
161E97.8Very high97.6Very high100 Ų10047.4 Ų47.447%0.46724%0.241SC..Hα-helixtrans-63.6-51.1170.1-176.1-179.4-163.100110.7D158 L163 R164 E165D158-E161 HydrophobicContact CB-CB 4.01Å; D158-E161 WeakPolarHBondContact OD1-CB 3.37Å; D158-E161 PolarHBondContact OD1-N 3.04Å; E161-L163 PolarHBondContact O-N 3.03Å; E161-R164 WeakPolarHBondContact O-CB 3.34Å; E161-R164 PolarHBondContact O-N 2.77Å; E161-R164 VanDerWaalsContact O-N 3.1Å; E161-E165 PolarHBondContact O-N 2.96Å
162L98.3Very high97.6Very high0 Ų051.5 Ų51.50%026%0.255CS..Hα-helixtrans-58.5-46.4-178.3176.159.2000112Y15 I130 L154 R157 D158 R164 E165 M166Y15-L162 HydrophobicContact CD1-CD1 4.08Å; Y15-L162 HydrophobicContact CE1-CD1 3.69Å; I130-L162 HydrophobicContact CD1-CD2 3.77Å; I130-L162 HydrophobicContact CG1-CD2 4.19Å; I130-L162 HydrophobicContact CG2-CD2 3.95Å; L154-L162 HydrophobicContact CB-CD2 4.1Å; L154-L162 HydrophobicContact CD1-CD2 4.46Å; L154-L162 HydrophobicContact CD2-CD1 4.02Å; R157-L162 HydrophobicContact CB-CB 4.37Å; R157-L162 HydrophobicContact CB-CD2 4.2Å; D158-L162 WeakPolarHBondContact O-CB 3.48Å; D158-L162 PolarHBondContact O-N 2.99Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.19Å; L162-E165 PolarHBondContact O-N 3.14Å; L162-M166 HydrophobicContact CD1-CE 3.93Å; L162-M166 HydrophobicContact CD1-CG 4.48Å; L162-M166 HydrophobicContact CD2-CE 3.96Å; L162-M166 HydrophobicContact CG-CE 3.72Å; L162-M166 WeakPolarHBondContact O-CG 3.43Å; L162-M166 PolarHBondContact O-N 2.81Å
163L98.3Very high97.6Very high0 Ų050.4 Ų50.40%025%0.246CC..Hα-helixtrans-63.4-38.3178.1-178.858.2000111.8K11 Q159 E161 E165 M166 L167 L193 L197 F200 V211K11-L163 HydrophobicContact CD-CD1 4.16Å; Q159-L163 WeakPolarHBondContact O-CB 3.44Å; Q159-L163 PolarHBondContact O-N 2.97Å; E161-L163 PolarHBondContact O-N 3.03Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-M166 HydrophobicContact CD1-SD 4.23Å; L163-M166 PolarHBondContact O-N 3.39Å; L163-L167 HydrophobicContact CD1-CD1 4.31Å; L163-L167 HydrophobicContact CD1-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 4.2Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.48Å; L163-L167 PolarHBondContact O-N 2.91Å; L163-L167 VanDerWaalsContact O-N 3.15Å; L163-L193 HydrophobicContact CD1-CD1 4.39Å; L163-L193 HydrophobicContact CD1-CD2 3.47Å; L163-L193 VanDerWaalsContact CD1-CD2 3.47Å; L163-L193 HydrophobicContact CD1-CG 3.89Å; L163-L193 HydrophobicContact CD2-CD1 4.44Å; L163-L197 HydrophobicContact CD2-CD1 3.69Å; L163-L197 HydrophobicContact CG-CD1 4.08Å; L163-F200 HydrophobicContact CD2-CD2 4.2Å; L163-V211 HydrophobicContact CB-CG1 4.14Å; L163-V211 HydrophobicContact CD2-CG1 3.53Å; L163-V211 WeakPolarHBondContact CD2-O 3.44Å; L163-V211 HydrophobicContact CG-CG1 4.43Å
164R98.4Very high97.5Very high103 Ų10348.2 Ų48.239%0.38924%0.238SC..Hα-helixtrans-62.7-42.5174.8-75.4-179.4-168.7102.9-8111.4A160 E161 L162 L167 N168 L197 L201A160-R164 VanDerWaalsContact C-NH1 3.34Å; A160-R164 VanDerWaalsContact O-CG 3.3Å; A160-R164 WeakPolarHBondContact O-CG 3.13Å; A160-R164 PolarHBondContact O-N 3.34Å; A160-R164 PolarHBondContact O-NH1 3.11Å; E161-R164 WeakPolarHBondContact O-CB 3.34Å; E161-R164 PolarHBondContact O-N 2.77Å; E161-R164 VanDerWaalsContact O-N 3.1Å; L162-R164 VanDerWaalsContact C-N 3.31Å; L162-R164 PolarHBondContact O-N 3.19Å; R164-L167 PolarHBondContact O-N 3.24Å; R164-N168 VanDerWaalsContact O-CB 3.28Å; R164-N168 WeakPolarHBondContact O-CB 3.5Å; R164-N168 PolarHBondContact O-N 3.04Å; R164-N168 PolarHBondContact O-ND2 3.22Å; R164-L197 HydrophobicContact CG-CD2 3.82Å; R164-L201 VanDerWaalsContact NH2-CD1 3.31Å
165E98.3Very high97.4Very high62 Ų6248.2 Ų48.229%0.2924%0.238SC..Hα-helixtrans-63.8-43.4177.2-74.4-178-163.900113.1R157 E161 L162 L163 L167 N168 S169R157-E165 IonicContact CZ-OE1 3.35Å; R157-E165 IonicContact CZ-OE2 2.76Å; R157-E165 IonicContact NH1-OE2 3.14Å; R157-E165 PolarHBondContact NH1-OE2 3.04Å; R157-E165 IonicContact NH2-OE1 3.88Å; R157-E165 PolarHBondContact NH2-OE1 3.01Å; R157-E165 IonicContact NH2-OE2 2.77Å; R157-E165 PolarHBondContact NH2-OE2 3.28Å; E161-E165 PolarHBondContact O-N 2.96Å; L162-E165 PolarHBondContact O-N 3.14Å; L163-E165 VanDerWaalsContact C-N 3.34Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 2.63Å; E165-N168 PolarHBondContact O-N 3.33Å; E165-S169 WeakPolarHBondContact O-CB 3.43Å; E165-S169 PolarHBondContact O-N 2.95Å
166M98.5Very high97.2Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-52.2-51.9173.3-71.4173.2176.100110.6K11 D12 Y15 L154 L162 L163 S169 L171K11-M166 HydrophobicContact CB-SD 4.41Å; K11-M166 HydrophobicContact CD-SD 4.1Å; K11-M166 HydrophobicContact CG-SD 4.01Å; D12-M166 WeakPolarHBondContact OD1-CE 3.41Å; Y15-M166 HydrophobicContact CD1-CE 3.64Å; Y15-M166 HydrophobicContact CD1-CG 3.43Å; Y15-M166 VanDerWaalsContact CD1-CG 3.43Å; Y15-M166 HydrophobicContact CD1-SD 4.37Å; Y15-M166 HydrophobicContact CD2-CB 4.28Å; Y15-M166 HydrophobicContact CD2-CG 3.83Å; Y15-M166 HydrophobicContact CE1-CE 4.47Å; Y15-M166 HydrophobicContact CE1-CG 3.74Å; Y15-M166 HydrophobicContact CE2-CB 4.42Å; Y15-M166 HydrophobicContact CE2-CG 4.13Å; Y15-M166 HydrophobicContact CG-CB 4.39Å; Y15-M166 HydrophobicContact CG-CE 4.09Å; Y15-M166 HydrophobicContact CG-CG 3.49Å; Y15-M166 VanDerWaalsContact CG-CG 3.49Å; Y15-M166 HydrophobicContact CG-SD 4.48Å; L154-M166 HydrophobicContact CD1-CE 3.84Å; L162-M166 HydrophobicContact CD1-CE 3.93Å; L162-M166 HydrophobicContact CD1-CG 4.48Å; L162-M166 HydrophobicContact CD2-CE 3.96Å; L162-M166 HydrophobicContact CG-CE 3.72Å; L162-M166 WeakPolarHBondContact O-CG 3.43Å; L162-M166 PolarHBondContact O-N 2.81Å; L163-M166 HydrophobicContact CD1-SD 4.23Å; L163-M166 PolarHBondContact O-N 3.39Å; M166-S169 PolarHBondContact O-N 2.86Å; M166-S169 PolarHBondContact O-OG 3.44Å; M166-L171 WeakPolarHBondContact O-CB 3.1Å; M166-L171 PolarHBondContact O-N 3.01Å; M166-L171 VanDerWaalsContact O-N 3.14Å
167L98.3Very high97.1Very high24 Ų2441.4 Ų41.413%0.12621%0.208CC..Hα-helixtrans-66.8-41.1-177.8-63.4172.4000111.8L163 R164 E165 S169 G170 L193 N194 L197L163-L167 HydrophobicContact CD1-CD1 4.31Å; L163-L167 HydrophobicContact CD1-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 4.2Å; L163-L167 VanDerWaalsContact O-CG 3.27Å; L163-L167 WeakPolarHBondContact O-CG 3.48Å; L163-L167 PolarHBondContact O-N 2.91Å; L163-L167 VanDerWaalsContact O-N 3.15Å; R164-L167 PolarHBondContact O-N 3.24Å; E165-L167 VanDerWaalsContact C-N 3.3Å; E165-L167 PolarHBondContact O-N 2.63Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 2.84Å; L167-G170 PolarHBondContact O-N 3.21Å; L167-G170 VanDerWaalsContact O-N 3.07Å; L167-L193 HydrophobicContact CD2-CB 4.06Å; L167-L193 HydrophobicContact CD2-CD2 4.3Å; L167-L193 HydrophobicContact CD2-CG 4.12Å; L167-N194 HydrophobicContact CD1-CB 4.31Å; L167-N194 HydrophobicContact CD2-CB 4.09Å; L167-L197 HydrophobicContact CD1-CB 4.04Å; L167-L197 HydrophobicContact CD1-CD2 3.88Å; L167-L197 HydrophobicContact CD1-CG 4.43Å
168N98.1Very high97Very high141 Ų14138.7 Ų38.775%0.75420%0.198SC*.Hα-helixtrans-67.9-27178.3-71.2-20.1000112.8R164 E165 G170R164-N168 VanDerWaalsContact O-CB 3.28Å; R164-N168 WeakPolarHBondContact O-CB 3.5Å; R164-N168 PolarHBondContact O-N 3.04Å; R164-N168 PolarHBondContact O-ND2 3.22Å; E165-N168 PolarHBondContact O-N 3.33Å; N168-G170 PolarHBondContact O-N 3.22Å
169S97.6Very high96.8Very high48 Ų4835.9 Ų35.934%0.33619%0.185SC..THydrogen-bonded Turntrans-74.10.9173.188.30000113Y15 E165 M166 L167Y15-S169 WeakPolarHBondContact CE2-OG 3.22Å; E165-S169 WeakPolarHBondContact O-CB 3.43Å; E165-S169 PolarHBondContact O-N 2.95Å; M166-S169 PolarHBondContact O-N 2.86Å; M166-S169 PolarHBondContact O-OG 3.44Å; L167-S169 VanDerWaalsContact C-N 3.29Å; L167-S169 PolarHBondContact O-N 2.84Å
170G96.4Very high96.6Very high37 Ų3735.7 Ų35.738%0.38119%0.187SC..THydrogen-bonded Turntrans81.115.2-176.300000114.2L167 N168 R172L167-G170 PolarHBondContact O-N 3.21Å; L167-G170 VanDerWaalsContact O-N 3.07Å; N168-G170 PolarHBondContact O-N 3.22Å; G170-R172 PolarHBondContact O-N 3.38Å
171L98.4Very high96.4Very high0 Ų038.5 Ų38.50%020%0.199CC..  trans-67.8126.9169.5-172.5150.8000109.2K11 Y15 M166 A173 V222 D224 C225K11-L171 HydrophobicContact CB-CD2 4Å; Y15-L171 HydrophobicContact CD2-CD1 4.02Å; Y15-L171 HydrophobicContact CG-CD1 4.27Å; M166-L171 WeakPolarHBondContact O-CB 3.1Å; M166-L171 PolarHBondContact O-N 3.01Å; M166-L171 VanDerWaalsContact O-N 3.14Å; L171-A173 HydrophobicContact CD2-CB 3.88Å; L171-V222 HydrophobicContact CD2-CG2 4.26Å; L171-V222 HydrophobicContact CG-CG1 4.44Å; L171-D224 WeakPolarHBondContact CA-O 3.3Å; L171-C225 HydrophobicContact CG-CB 4.34Å
172R98Very high96.2Very high102 Ų10235.1 Ų35.139%0.38519%0.192SC..EExtended strand (participates in β ladder)trans-115.2129.3175.5-57.2-64.9-80.8-86.7-7.2108.6G170 E192 V222 T223 D224G170-R172 PolarHBondContact O-N 3.38Å; R172-E192 IonicContact CZ-OE1 3.85Å; R172-E192 IonicContact CZ-OE2 3.04Å; R172-E192 IonicContact NE-OE1 3.87Å; R172-E192 IonicContact NE-OE2 2.68Å; R172-E192 PolarHBondContact NE-OE2 2.93Å; R172-E192 VanDerWaalsContact NH2-CD 3.26Å; R172-E192 IonicContact NH2-OE1 3.05Å; R172-E192 PolarHBondContact NH2-OE1 2.82Å; R172-E192 IonicContact NH2-OE2 2.64Å; R172-E192 PolarHBondContact NH2-OE2 2.81Å; R172-V222 CarbonylContact O-C 3.51Å; R172-V222 WeakPolarHBondContact O-CA 3.47Å; R172-T223 PolarHBondContact O-N 3.36Å; R172-T223 PolarHBondContact O-OG1 2.86Å; R172-D224 HydrophobicContact CB-CB 4.15Å; R172-D224 HydrophobicContact CG-CB 4.29Å; R172-D224 PolarHBondContact N-O 3.41Å; R172-D224 PolarHBondContact O-N 3.45Å
173A97.2Very high96Very high0 Ų035.5 Ų35.50%019%0.193CC..EExtended strand (participates in β ladder)trans-143.7145.3-178.600000109.2K11 L171 E192 L193 T220 L221 V222K11-A173 HydrophobicContact CB-CB 4.36Å; L171-A173 HydrophobicContact CD2-CB 3.88Å; A173-E192 CarbonylContact O-C 3.44Å; A173-E192 WeakPolarHBondContact O-CA 3.13Å; A173-L193 HydrophobicContact CB-CB 4.25Å; A173-L193 HydrophobicContact CB-CD2 4.1Å; A173-L193 WeakPolarHBondContact O-CB 3.44Å; A173-L193 PolarHBondContact O-N 3.41Å; A173-T220 HydrophobicContact CB-CG2 4.42Å; A173-L221 CarbonylContact C-O 3.49Å; A173-L221 VanDerWaalsContact CA-O 3.24Å; A173-L221 WeakPolarHBondContact CA-O 3.27Å; A173-V222 HydrophobicContact CB-CG2 4.3Å
174I96.2Very high95.8Very high12 Ų1238.2 Ų38.26%0.06221%0.208CC..EExtended strand (participates in β ladder)trans-109.3148.7177.353.5167.1000110V176 K191 E192 T220 L221 T223 M234I174-V176 HydrophobicContact CD1-CG1 4.04Å; I174-V176 HydrophobicContact CG1-CG1 4.05Å; I174-V176 PolarHBondContact O-N 3.45Å; I174-K191 WeakPolarHBondContact CA-O 3.26Å; I174-E192 HydrophobicContact CG2-CG 4.13Å; I174-T220 CarbonylContact O-C 3.45Å; I174-T220 WeakPolarHBondContact O-CA 3.48Å; I174-L221 HydrophobicContact CD1-CB 4.35Å; I174-L221 HydrophobicContact CD1-CD2 4.43Å; I174-L221 HydrophobicContact CG1-CB 4Å; I174-L221 WeakPolarHBondContact CG1-O 3.44Å; I174-L221 PolarHBondContact N-O 3.05Å; I174-L221 PolarHBondContact O-N 3.48Å; I174-T223 HydrophobicContact CD1-CG2 4.27Å; I174-T223 HydrophobicContact CG1-CG2 4.12Å; I174-T223 HydrophobicContact CG2-CG2 4.23Å; I174-M234 HydrophobicContact CD1-CE 3.04Å; I174-M234 HydrophobicContact CD1-SD 3.64Å
175L95.9Very high95.6Very high0 Ų033.3 Ų33.30%019%0.19CC..EExtended strand (participates in β ladder)trans-72.8121.5171.1-89.164000110.1T178 H188 G190 K191 L193 M196 F200 Y218L175-T178 HydrophobicContact CD2-CG2 3.98Å; L175-H188 HydrophobicContact CD2-CB 4.13Å; L175-G190 PolarHBondContact O-N 2.95Å; L175-K191 PolarHBondContact N-O 3.21Å; L175-L193 HydrophobicContact CD1-CD1 4.03Å; L175-M196 HydrophobicContact CD1-CB 4.3Å; L175-M196 HydrophobicContact CD1-CG 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.28Å; L175-M196 HydrophobicContact CD2-CG 3.99Å; L175-F200 HydrophobicContact CD1-CZ 4.15Å; L175-F200 HydrophobicContact CD2-CE1 4.48Å; L175-F200 HydrophobicContact CD2-CZ 4.02Å; L175-F200 HydrophobicContact CG-CZ 4.47Å; L175-Y218 HydrophobicContact CD1-CD2 4.44Å; L175-Y218 HydrophobicContact CG-CD2 4.27Å
176V93.8Very high95.4Very high2 Ų234.4 Ų34.41%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-113.3-13.9178.4-58.50000113.5I174 L189 E219 L221 H252 L253I174-V176 HydrophobicContact CD1-CG1 4.04Å; I174-V176 HydrophobicContact CG1-CG1 4.05Å; I174-V176 PolarHBondContact O-N 3.45Å; V176-L189 VanDerWaalsContact C-CD2 3.49Å; V176-E219 HydrophobicContact CG2-CB 3.9Å; V176-E219 PolarHBondContact N-O 3.27Å; V176-L221 HydrophobicContact CG1-CB 3.56Å; V176-H252 CarbonylContact O-C 3.57Å; V176-H252 WeakPolarHBondContact O-CA 3.36Å; V176-H252 WeakPolarHBondContact O-CB 3.33Å; V176-L253 HydrophobicContact CG1-CD1 4.26Å; V176-L253 PolarHBondContact O-N 2.91Å
177K93.6Very high95.2Very high48 Ų4839.2 Ų39.221%0.20923%0.229CC..EExtended strand (participates in β ladder)trans-144.2147.2169.5-175.2178.8172.3178.40109.5V66 S179 Y218 E219 G251 H252V66-K177 HydrophobicContact CG1-CB 4.36Å; V66-K177 HydrophobicContact CG2-CD 4.12Å; K177-S179 WeakPolarHBondContact CE-OG 3.31Å; K177-Y218 CarbonylContact O-C 3.56Å; K177-Y218 WeakPolarHBondContact O-CA 3.16Å; K177-Y218 VanDerWaalsContact O-CB 3.29Å; K177-Y218 WeakPolarHBondContact O-CB 3.13Å; K177-E219 HydrophobicContact CB-CB 3.64Å; K177-E219 HydrophobicContact CB-CG 3.78Å; K177-E219 HydrophobicContact CD-CG 3.85Å; K177-E219 HydrophobicContact CG-CG 4.36Å; K177-E219 PolarHBondContact N-O 3.44Å; K177-E219 PolarHBondContact O-N 2.83Å; K177-G251 WeakPolarHBondContact CA-O 3.48Å; K177-H252 HydrophobicContact CB-CB 4.29Å; K177-H252 HydrophobicContact CG-CB 4.37Å
178T94.2Very high95.2Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-134.1136.9168.756.60000109.3L175 L183 P185 H188 L189 V250 G251L175-T178 HydrophobicContact CD2-CG2 3.98Å; T178-L183 HydrophobicContact CG2-CB 4.14Å; T178-L183 HydrophobicContact CG2-CD1 4.03Å; T178-P185 WeakPolarHBondContact OG1-CG 3.29Å; T178-H188 HydrophobicContact CG2-CB 4.37Å; T178-L189 HydrophobicContact CG2-CD2 3.98Å; T178-L189 HydrophobicContact CG2-CG 4.37Å; T178-V250 WeakPolarHBondContact O-CA 3.4Å; T178-G251 PolarHBondContact N-O 2.84Å; T178-G251 PolarHBondContact O-N 2.98Å; T178-G251 VanDerWaalsContact O-N 3.14Å
179S92.5Very high95.1Very high33 Ų3333.1 Ų33.123%0.23120%0.196CC..  trans-150.224.5-173.6-53.40000113.6K177 E217 V250K177-S179 WeakPolarHBondContact CE-OG 3.31Å; S179-E217 PolarHBondContact N-O 2.92Å; S179-V250 WeakPolarHBondContact OG-CG1 3.48Å
180S92.4Very high95Very high22 Ų2232.6 Ų32.615%0.15420%0.198CC..SBendtrans-128.4150.9-176.9175.30000112.1G182 L183 C248S180-G182 PolarHBondContact O-N 2.7Å; S180-L183 WeakPolarHBondContact O-CB 3.36Å; S180-L183 PolarHBondContact O-N 2.94Å; S180-C248 VanDerWaalsContact C-SG 3.59Å
181L91.7Very high95.1Very high74 Ų7434.8 Ų34.839%0.38720%0.197SC..THydrogen-bonded Turntrans-47.6135.1164.7176.564.4000110.3L183 Y207 V247L181-L183 VanDerWaalsContact C-N 3.28Å; L181-Y207 HydrophobicContact CD2-CD1 4.16Å; L181-Y207 HydrophobicContact CD2-CE1 4.36Å; L181-Y207 HydrophobicContact CD2-CG 4.33Å; L181-V247 HydrophobicContact CD1-CG1 3.66Å; L181-V247 VanDerWaalsContact CD1-O 3.28Å; L181-V247 WeakPolarHBondContact CD1-O 3.43Å
182G93.3Very high95Very high30 Ų3037.1 Ų37.131%0.30921%0.208SC..THydrogen-bonded Turntrans85-4.9-178.700000114.4S180 H188 H199S180-G182 PolarHBondContact O-N 2.7Å; G182-H188 PolarHBondContact O-CE1 3.45Å; G182-H199 PolarHBondContact O-NE2 3.1Å
183L95Very high95Very high7 Ų732.3 Ų32.34%0.03719%0.19CC..  trans-107.2123.7169.5-57.5-177.7000111T178 S180 L181 H188 M196 F200 L203 F209 E217T178-L183 HydrophobicContact CG2-CB 4.14Å; T178-L183 HydrophobicContact CG2-CD1 4.03Å; S180-L183 WeakPolarHBondContact O-CB 3.36Å; S180-L183 PolarHBondContact O-N 2.94Å; L181-L183 VanDerWaalsContact C-N 3.28Å; L183-H188 WeakPolarHBondContact CA-ND1 3.37Å; L183-M196 HydrophobicContact CD2-CE 4.29Å; L183-F200 HydrophobicContact CD2-CD1 4.28Å; L183-F200 HydrophobicContact CD2-CE1 3.73Å; L183-L203 HydrophobicContact CD2-CD1 3.86Å; L183-L203 HydrophobicContact CG-CD1 4.32Å; L183-F209 HydrophobicContact CD1-CE2 3.75Å; L183-F209 HydrophobicContact CD1-CZ 3.97Å; L183-F209 HydrophobicContact CD2-CE2 4.4Å; L183-F209 HydrophobicContact CG-CE2 4.02Å; L183-F209 HydrophobicContact CG-CZ 4.46Å; L183-E217 WeakPolarHBondContact CD1-O 3.38Å
184D94Very high95Very high58 Ų5835.7 Ų35.731%0.3121%0.208SC..  trans-103.9119172.5-178.6-25.6000109.7S186 L187 H188D184-S186 VanDerWaalsContact CG-OG 3.27Å; D184-S186 PolarHBondContact O-N 2.83Å; D184-S186 WeakPolarHBondContact OD1-CA 3.44Å; D184-S186 WeakPolarHBondContact OD1-CB 3.03Å; D184-S186 PolarHBondContact OD1-N 3.26Å; D184-S186 PolarHBondContact OD1-OG 3.03Å; D184-S186 PolarHBondContact OD2-OG 3.5Å; D184-L187 HydrophobicContact CB-CB 4.03Å; D184-L187 HydrophobicContact CB-CD1 3.97Å; D184-L187 HydrophobicContact CB-CG 4.01Å; D184-L187 PolarHBondContact O-N 2.88Å; D184-L187 VanDerWaalsContact O-N 3.08Å; D184-H188 PolarHBondContact N-ND1 3.43Å; D184-H188 WeakPolarHBondContact O-CB 3.46Å; D184-H188 PolarHBondContact O-N 2.82Å
185P94.8Very high95.1Very high0 Ų040.7 Ų40.70%023%0.231CC..Hα-helixtrans-53.9-37.1177.4-25.632.6000113.9T178 L187 L189 V239 V241 A249T178-P185 WeakPolarHBondContact OG1-CG 3.29Å; P185-L187 VanDerWaalsContact C-N 3.29Å; P185-L187 PolarHBondContact O-N 3.41Å; P185-L189 HydrophobicContact CB-CD1 3.7Å; P185-L189 HydrophobicContact CB-CG 4.26Å; P185-L189 VanDerWaalsContact O-CB 3.28Å; P185-L189 WeakPolarHBondContact O-CB 3.44Å; P185-L189 WeakPolarHBondContact O-CG 3.47Å; P185-L189 PolarHBondContact O-N 3.09Å; P185-V239 HydrophobicContact CB-CG1 4.42Å; P185-V241 HydrophobicContact CB-CG2 4.32Å; P185-A249 HydrophobicContact CG-CB 3.98Å
186S93.4Very high95.2Very high84 Ų8440.9 Ų40.959%0.58723%0.232SC*.Hα-helixtrans-72.8-21.8-17973.40000113.3D184D184-S186 VanDerWaalsContact CG-OG 3.27Å; D184-S186 PolarHBondContact O-N 2.83Å; D184-S186 WeakPolarHBondContact OD1-CA 3.44Å; D184-S186 WeakPolarHBondContact OD1-CB 3.03Å; D184-S186 PolarHBondContact OD1-N 3.26Å; D184-S186 PolarHBondContact OD1-OG 3.03Å; D184-S186 PolarHBondContact OD2-OG 3.5Å
187L95Very high95.4Very high101 Ų10141.9 Ų41.953%0.52924%0.238SC..Hα-helixtrans-105.2-25.4-178.4-59.6179.5000113.9D184 P185 K191D184-L187 HydrophobicContact CB-CB 4.03Å; D184-L187 HydrophobicContact CB-CD1 3.97Å; D184-L187 HydrophobicContact CB-CG 4.01Å; D184-L187 PolarHBondContact O-N 2.88Å; D184-L187 VanDerWaalsContact O-N 3.08Å; P185-L187 VanDerWaalsContact C-N 3.29Å; P185-L187 PolarHBondContact O-N 3.41Å; L187-K191 WeakPolarHBondContact O-CD 3.34Å; L187-K191 WeakPolarHBondContact O-CE 3.48Å; L187-K191 PolarHBondContact O-NZ 3.01Å
188H97.2Very high95.6Very high19 Ų1943.4 Ų43.49%0.08825%0.252CS..Hα-helixtrans-116.1-26.3-169.1-58.7144000114.9L175 T178 G182 L183 D184 G190 K191 M196 H199L175-H188 HydrophobicContact CD2-CB 4.13Å; T178-H188 HydrophobicContact CG2-CB 4.37Å; G182-H188 PolarHBondContact O-CE1 3.45Å; L183-H188 WeakPolarHBondContact CA-ND1 3.37Å; D184-H188 PolarHBondContact N-ND1 3.43Å; D184-H188 WeakPolarHBondContact O-CB 3.46Å; D184-H188 PolarHBondContact O-N 2.82Å; H188-G190 PolarHBondContact O-N 2.81Å; H188-K191 WeakPolarHBondContact O-CB 3.04Å; H188-K191 PolarHBondContact O-N 2.78Å; H188-M196 HydrophobicContact CB-CE 4Å; H188-M196 HydrophobicContact CB-SD 4.35Å; H188-H199 AromaticContact CE1-CD2 3.97Å; H188-H199 AromaticContact CE1-NE2 3.56Å; H188-H199 AromaticContact NE2-NE2 3.92Å
189L96.3Very high95.8Very high18 Ų1846.4 Ų46.49%0.09427%0.266CS..THydrogen-bonded Turntrans-63.9138.1177-71172.5000110.8V176 T178 P185 K191 V239 L253V176-L189 VanDerWaalsContact C-CD2 3.49Å; T178-L189 HydrophobicContact CG2-CD2 3.98Å; T178-L189 HydrophobicContact CG2-CG 4.37Å; P185-L189 HydrophobicContact CB-CD1 3.7Å; P185-L189 HydrophobicContact CB-CG 4.26Å; P185-L189 VanDerWaalsContact O-CB 3.28Å; P185-L189 WeakPolarHBondContact O-CB 3.44Å; P185-L189 WeakPolarHBondContact O-CG 3.47Å; P185-L189 PolarHBondContact O-N 3.09Å; L189-K191 VanDerWaalsContact C-N 3.25Å; L189-K191 PolarHBondContact O-N 3.2Å; L189-V239 HydrophobicContact CB-CG2 4.17Å; L189-V239 HydrophobicContact CD1-CG1 3.86Å; L189-V239 HydrophobicContact CD1-CG2 4.25Å; L189-L253 HydrophobicContact CB-CD2 3.74Å; L189-L253 HydrophobicContact CB-CG 4.17Å; L189-L253 HydrophobicContact CD1-CD2 4.37Å; L189-L253 HydrophobicContact CD2-CG 4.44Å
190G96Very high96.1Very high38 Ų3844.8 Ų44.839%0.39226%0.255SS..THydrogen-bonded Turntrans82.1-10.3-176.400000115.1L175 H188L175-G190 PolarHBondContact O-N 2.95Å; H188-G190 PolarHBondContact O-N 2.81Å
191K97.7Very high96.3Very high82 Ų8245.4 Ų45.436%0.35726%0.256SS..  trans-69.5149.2171.2-71.5-171.8171.5163.50111.2I174 L175 L187 H188 L189 M196I174-K191 WeakPolarHBondContact CA-O 3.26Å; L175-K191 PolarHBondContact N-O 3.21Å; L187-K191 WeakPolarHBondContact O-CD 3.34Å; L187-K191 WeakPolarHBondContact O-CE 3.48Å; L187-K191 PolarHBondContact O-NZ 3.01Å; H188-K191 WeakPolarHBondContact O-CB 3.04Å; H188-K191 PolarHBondContact O-N 2.78Å; L189-K191 VanDerWaalsContact C-N 3.25Å; L189-K191 PolarHBondContact O-N 3.2Å; K191-M196 HydrophobicContact CB-CG 3.96Å; K191-M196 HydrophobicContact CB-SD 3.93Å; K191-M196 HydrophobicContact CD-SD 3.57Å; K191-M196 VanDerWaalsContact CD-SD 3.57Å; K191-M196 HydrophobicContact CG-SD 4.38Å
192E97.6Very high96.6Very high50 Ų5044.6 Ų44.623%0.23425%0.254CS..BIsolated β-bridgetrans-78.2149.8174.1-64.8-167.9-175.200111.9R172 A173 I174 N194 E195 M196R172-E192 IonicContact CZ-OE1 3.85Å; R172-E192 IonicContact CZ-OE2 3.04Å; R172-E192 IonicContact NE-OE1 3.87Å; R172-E192 IonicContact NE-OE2 2.68Å; R172-E192 PolarHBondContact NE-OE2 2.93Å; R172-E192 VanDerWaalsContact NH2-CD 3.26Å; R172-E192 IonicContact NH2-OE1 3.05Å; R172-E192 PolarHBondContact NH2-OE1 2.82Å; R172-E192 IonicContact NH2-OE2 2.64Å; R172-E192 PolarHBondContact NH2-OE2 2.81Å; A173-E192 CarbonylContact O-C 3.44Å; A173-E192 WeakPolarHBondContact O-CA 3.13Å; I174-E192 HydrophobicContact CG2-CG 4.13Å; E192-N194 VanDerWaalsContact C-N 3.29Å; E192-N194 WeakPolarHBondContact CB-OD1 3.21Å; E192-N194 PolarHBondContact O-N 2.87Å; E192-N194 PolarHBondContact OE2-OD1 3.43Å; E192-N194 VanDerWaalsContact OE2-OD1 3.06Å; E192-E195 HydrophobicContact CB-CG 4.27Å; E192-E195 PolarHBondContact N-OE2 2.85Å; E192-E195 WeakPolarHBondContact O-CB 3.3Å; E192-E195 PolarHBondContact O-N 3.41Å; E192-M196 PolarHBondContact O-N 2.93Å; E192-M196 VanDerWaalsContact O-N 3.16Å
193L97.6Very high96.8Very high0 Ų043.5 Ų43.50%024%0.242CC..Hα-helixtrans-65-30.6-173.3-171.259.8000113.3K11 L163 L167 A173 L175 E195 M196 L197 F200 Y218 T220K11-L193 HydrophobicContact CB-CD2 4.41Å; K11-L193 HydrophobicContact CD-CD2 3.47Å; K11-L193 VanDerWaalsContact CD-CD2 3.47Å; L163-L193 HydrophobicContact CD1-CD1 4.39Å; L163-L193 HydrophobicContact CD1-CD2 3.47Å; L163-L193 VanDerWaalsContact CD1-CD2 3.47Å; L163-L193 HydrophobicContact CD1-CG 3.89Å; L163-L193 HydrophobicContact CD2-CD1 4.44Å; L167-L193 HydrophobicContact CD2-CB 4.06Å; L167-L193 HydrophobicContact CD2-CD2 4.3Å; L167-L193 HydrophobicContact CD2-CG 4.12Å; A173-L193 HydrophobicContact CB-CB 4.25Å; A173-L193 HydrophobicContact CB-CD2 4.1Å; A173-L193 WeakPolarHBondContact O-CB 3.44Å; A173-L193 PolarHBondContact O-N 3.41Å; L175-L193 HydrophobicContact CD1-CD1 4.03Å; L193-E195 VanDerWaalsContact C-N 3.32Å; L193-M196 PolarHBondContact O-N 3.27Å; L193-L197 PolarHBondContact O-N 2.74Å; L193-F200 HydrophobicContact CD1-CD2 4.26Å; L193-F200 HydrophobicContact CD1-CE2 3.45Å; L193-F200 VanDerWaalsContact CD1-CE2 3.45Å; L193-F200 HydrophobicContact CD1-CZ 4.27Å; L193-Y218 HydrophobicContact CD1-CE2 3.83Å; L193-T220 HydrophobicContact CD1-CG2 4.42Å; L193-T220 HydrophobicContact CD2-CG2 4.32Å
194N97Very high96.8Very high72 Ų7246.3 Ų46.339%0.38526%0.257SS..Hα-helixtrans-67.3-31172.460.7-50000112.8L167 E192 M196L167-N194 HydrophobicContact CD1-CB 4.31Å; L167-N194 HydrophobicContact CD2-CB 4.09Å; E192-N194 VanDerWaalsContact C-N 3.29Å; E192-N194 WeakPolarHBondContact CB-OD1 3.21Å; E192-N194 PolarHBondContact O-N 2.87Å; E192-N194 PolarHBondContact OE2-OD1 3.43Å; E192-N194 VanDerWaalsContact OE2-OD1 3.06Å; N194-M196 VanDerWaalsContact C-N 3.32Å
195E97.7Very high97Very high116 Ų11651.3 Ų51.354%0.54228%0.278SS..Hα-helixtrans-73-31.4173.5-55177.710000111E192 L193E192-E195 HydrophobicContact CB-CG 4.27Å; E192-E195 PolarHBondContact N-OE2 2.85Å; E192-E195 WeakPolarHBondContact O-CB 3.3Å; E192-E195 PolarHBondContact O-N 3.41Å; L193-E195 VanDerWaalsContact C-N 3.32Å
196M98.2Very high97Very high4 Ų457.9 Ų57.92%0.0231%0.307CS..Hα-helixtrans-84.7-23.3-176.8-67.7-54.4-56.900114.3L175 L183 H188 K191 E192 L193 N194 H199 F200L175-M196 HydrophobicContact CD1-CB 4.3Å; L175-M196 HydrophobicContact CD1-CG 3.85Å; L175-M196 HydrophobicContact CD2-CE 4.28Å; L175-M196 HydrophobicContact CD2-CG 3.99Å; L183-M196 HydrophobicContact CD2-CE 4.29Å; H188-M196 HydrophobicContact CB-CE 4Å; H188-M196 HydrophobicContact CB-SD 4.35Å; K191-M196 HydrophobicContact CB-CG 3.96Å; K191-M196 HydrophobicContact CB-SD 3.93Å; K191-M196 HydrophobicContact CD-SD 3.57Å; K191-M196 VanDerWaalsContact CD-SD 3.57Å; K191-M196 HydrophobicContact CG-SD 4.38Å; E192-M196 PolarHBondContact O-N 2.93Å; E192-M196 VanDerWaalsContact O-N 3.16Å; L193-M196 PolarHBondContact O-N 3.27Å; N194-M196 VanDerWaalsContact C-N 3.32Å; M196-H199 HydrophobicContact CE-CB 4.22Å; M196-H199 WeakPolarHBondContact O-CA 3.33Å; M196-H199 WeakPolarHBondContact O-CB 3.08Å; M196-H199 PolarHBondContact O-N 2.84Å; M196-F200 HydrophobicContact CB-CD1 4.35Å; M196-F200 HydrophobicContact CB-CD2 4.42Å; M196-F200 HydrophobicContact CB-CE1 3.83Å; M196-F200 HydrophobicContact CB-CE2 3.93Å; M196-F200 HydrophobicContact CB-CZ 3.62Å; M196-F200 HydrophobicContact CE-CD1 4.3Å; M196-F200 HydrophobicContact CE-CE1 3.62Å; M196-F200 HydrophobicContact CE-CZ 4.3Å; M196-F200 HydrophobicContact CG-CE1 4.49Å; M196-F200 HydrophobicContact CG-CZ 4.31Å; M196-F200 WeakPolarHBondContact O-CG 3.34Å; M196-F200 PolarHBondContact O-N 2.77Å
197L98.1Very high97Very high24 Ų2460.7 Ų60.713%0.12631%0.306CS..Hα-helixtrans-50.4-48.7-176.817269000113.8L163 R164 L167 L193 H199 F200 L201 V211L163-L197 HydrophobicContact CD2-CD1 3.69Å; L163-L197 HydrophobicContact CG-CD1 4.08Å; R164-L197 HydrophobicContact CG-CD2 3.82Å; L167-L197 HydrophobicContact CD1-CB 4.04Å; L167-L197 HydrophobicContact CD1-CD2 3.88Å; L167-L197 HydrophobicContact CD1-CG 4.43Å; L193-L197 PolarHBondContact O-N 2.74Å; L197-H199 VanDerWaalsContact C-N 3.26Å; L197-H199 PolarHBondContact O-N 2.92Å; L197-F200 PolarHBondContact O-N 3.34Å; L197-L201 HydrophobicContact CD1-CD1 4.13Å; L197-L201 HydrophobicContact CD1-CD2 4.35Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CG-CD1 4.15Å; L197-L201 HydrophobicContact CG-CG 4.45Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 2.84Å; L197-V211 HydrophobicContact CD1-CG1 4.28Å
198P98Very high96.9Very high80 Ų8058.7 Ų58.752%0.51931%0.309SS..Hα-helixtrans-59.9-36.5178.6-23.835000113.3T202P198-T202 PolarHBondContact O-N 3.14Å; P198-T202 VanDerWaalsContact O-N 3.17Å; P198-T202 PolarHBondContact O-OG1 2.92Å
199H98Very high96.8Very high62 Ų6258.1 Ų58.129%0.28731%0.306SS..Hα-helixtrans-67-43.9176.2-172.961.5000111G182 H188 M196 L197 L201 T202 L203G182-H199 PolarHBondContact O-NE2 3.1Å; H188-H199 AromaticContact CE1-CD2 3.97Å; H188-H199 AromaticContact CE1-NE2 3.56Å; H188-H199 AromaticContact NE2-NE2 3.92Å; M196-H199 HydrophobicContact CE-CB 4.22Å; M196-H199 WeakPolarHBondContact O-CA 3.33Å; M196-H199 WeakPolarHBondContact O-CB 3.08Å; M196-H199 PolarHBondContact O-N 2.84Å; L197-H199 VanDerWaalsContact C-N 3.26Å; L197-H199 PolarHBondContact O-N 2.92Å; H199-L201 PolarHBondContact O-N 2.94Å; H199-T202 WeakPolarHBondContact O-CB 3.32Å; H199-T202 PolarHBondContact O-N 3.3Å; H199-T202 VanDerWaalsContact O-N 3.17Å; H199-L203 WeakPolarHBondContact O-CG 3.42Å; H199-L203 PolarHBondContact O-N 2.84Å
200F98.2Very high96.7Very high0 Ų059.1 Ų59.10%031%0.312CS..Hα-helixtrans-63.3-40.1178.2-64.4-9.6000112.9L163 L175 L183 L193 M196 L197 T202 L203 N204 F209 V211 Y218L163-F200 HydrophobicContact CD2-CD2 4.2Å; L175-F200 HydrophobicContact CD1-CZ 4.15Å; L175-F200 HydrophobicContact CD2-CE1 4.48Å; L175-F200 HydrophobicContact CD2-CZ 4.02Å; L175-F200 HydrophobicContact CG-CZ 4.47Å; L183-F200 HydrophobicContact CD2-CD1 4.28Å; L183-F200 HydrophobicContact CD2-CE1 3.73Å; L193-F200 HydrophobicContact CD1-CD2 4.26Å; L193-F200 HydrophobicContact CD1-CE2 3.45Å; L193-F200 VanDerWaalsContact CD1-CE2 3.45Å; L193-F200 HydrophobicContact CD1-CZ 4.27Å; M196-F200 HydrophobicContact CB-CD1 4.35Å; M196-F200 HydrophobicContact CB-CD2 4.42Å; M196-F200 HydrophobicContact CB-CE1 3.83Å; M196-F200 HydrophobicContact CB-CE2 3.93Å; M196-F200 HydrophobicContact CB-CZ 3.62Å; M196-F200 HydrophobicContact CE-CD1 4.3Å; M196-F200 HydrophobicContact CE-CE1 3.62Å; M196-F200 HydrophobicContact CE-CZ 4.3Å; M196-F200 HydrophobicContact CG-CE1 4.49Å; M196-F200 HydrophobicContact CG-CZ 4.31Å; M196-F200 WeakPolarHBondContact O-CG 3.34Å; M196-F200 PolarHBondContact O-N 2.77Å; L197-F200 PolarHBondContact O-N 3.34Å; F200-T202 VanDerWaalsContact C-N 3.32Å; F200-T202 PolarHBondContact O-N 2.98Å; F200-L203 PolarHBondContact O-N 2.84Å; F200-N204 WeakPolarHBondContact O-CB 3.24Å; F200-N204 PolarHBondContact O-N 2.88Å; F200-F209 HydrophobicContact CB-CD1 4.22Å; F200-F209 HydrophobicContact CB-CE1 3.8Å; F200-F209 AromaticContact CD1-CE1 3.74Å; F200-F209 HydrophobicContact CD1-CE1 3.74Å; F200-F209 AromaticContact CD1-CZ 3.8Å; F200-F209 HydrophobicContact CD1-CZ 3.8Å; F200-F209 HydrophobicContact CD2-CE1 4.18Å; F200-F209 HydrophobicContact CE1-CE1 4.32Å; F200-F209 AromaticContact CE1-CZ 3.99Å; F200-F209 HydrophobicContact CE1-CZ 3.99Å; F200-F209 AromaticContact CG-CE1 3.66Å; F200-F209 HydrophobicContact CG-CE1 3.66Å; F200-F209 HydrophobicContact CG-CZ 4.17Å; F200-F209 HydrophobicContact CZ-CZ 4.48Å; F200-V211 HydrophobicContact CB-CG1 4.45Å; F200-Y218 AromaticContact CD2-CE1 3.98Å; F200-Y218 HydrophobicContact CD2-CE1 3.98Å; F200-Y218 AromaticContact CE2-CD1 4Å; F200-Y218 HydrophobicContact CE2-CD1 4Å; F200-Y218 HydrophobicContact CE2-CD2 4.4Å; F200-Y218 AromaticContact CE2-CE1 3.45Å; F200-Y218 HydrophobicContact CE2-CE1 3.45Å; F200-Y218 VanDerWaalsContact CE2-CE1 3.45Å; F200-Y218 AromaticContact CE2-CE2 3.92Å; F200-Y218 HydrophobicContact CE2-CE2 3.92Å; F200-Y218 HydrophobicContact CE2-CG 4.43Å; F200-Y218 AromaticContact CE2-CZ 3.41Å; F200-Y218 VanDerWaalsContact CE2-CZ 3.41Å; F200-Y218 AromaticContact CZ-CD1 3.87Å; F200-Y218 HydrophobicContact CZ-CD1 3.87Å; F200-Y218 HydrophobicContact CZ-CD2 4.33Å; F200-Y218 AromaticContact CZ-CE1 3.82Å; F200-Y218 HydrophobicContact CZ-CE1 3.82Å; F200-Y218 HydrophobicContact CZ-CE2 4.3Å; F200-Y218 HydrophobicContact CZ-CG 4.12Å
201L97.9Very high96.8Very high34 Ų3457.4 Ų57.418%0.17829%0.293CS..Hα-helixtrans-61.8-42174.2-65.6172.7000111.1A160 R164 L197 H199 L203 N204 E205 V211A160-L201 HydrophobicContact CB-CD2 3.95Å; R164-L201 VanDerWaalsContact NH2-CD1 3.31Å; L197-L201 HydrophobicContact CD1-CD1 4.13Å; L197-L201 HydrophobicContact CD1-CD2 4.35Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CG-CD1 4.15Å; L197-L201 HydrophobicContact CG-CG 4.45Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 2.84Å; H199-L201 PolarHBondContact O-N 2.94Å; L201-L203 PolarHBondContact O-N 2.94Å; L201-N204 PolarHBondContact O-N 3.44Å; L201-E205 WeakPolarHBondContact O-CG 3.12Å; L201-E205 PolarHBondContact O-N 3.16Å; L201-V211 HydrophobicContact CD2-CG1 4.46Å; L201-V211 HydrophobicContact CD2-CG2 4.3Å
202T97.8Very high96.7Very high57 Ų5753.5 Ų53.535%0.3528%0.276SS..Hα-helixtrans-63.3-41.4175.4-57.10000112.1P198 H199 F200 K206P198-T202 PolarHBondContact O-N 3.14Å; P198-T202 VanDerWaalsContact O-N 3.17Å; P198-T202 PolarHBondContact O-OG1 2.92Å; H199-T202 WeakPolarHBondContact O-CB 3.32Å; H199-T202 PolarHBondContact O-N 3.3Å; H199-T202 VanDerWaalsContact O-N 3.17Å; F200-T202 VanDerWaalsContact C-N 3.32Å; F200-T202 PolarHBondContact O-N 2.98Å; T202-K206 HydrophobicContact CG2-CD 4.08Å; T202-K206 WeakPolarHBondContact O-CB 3.4Å; T202-K206 WeakPolarHBondContact O-CG 3.24Å; T202-K206 PolarHBondContact O-N 3.46Å
203L96.5Very high96.5Very high8 Ų851.5 Ų51.54%0.04227%0.27CS..Hα-helixtrans-68.3-35.3176.1-67-178.4000112L183 H199 F200 L201 K206 Y207 F209L183-L203 HydrophobicContact CD2-CD1 3.86Å; L183-L203 HydrophobicContact CG-CD1 4.32Å; H199-L203 WeakPolarHBondContact O-CG 3.42Å; H199-L203 PolarHBondContact O-N 2.84Å; F200-L203 PolarHBondContact O-N 2.84Å; L201-L203 PolarHBondContact O-N 2.94Å; L203-K206 PolarHBondContact O-N 3.4Å; L203-Y207 HydrophobicContact CD2-CD2 3.88Å; L203-Y207 HydrophobicContact CD2-CE2 4Å; L203-Y207 WeakPolarHBondContact O-CA 3.37Å; L203-Y207 WeakPolarHBondContact O-CB 3.25Å; L203-Y207 PolarHBondContact O-N 2.81Å; L203-F209 HydrophobicContact CB-CB 3.62Å; L203-F209 HydrophobicContact CB-CD1 4.27Å; L203-F209 HydrophobicContact CB-CD2 4.12Å; L203-F209 HydrophobicContact CB-CG 3.77Å; L203-F209 HydrophobicContact CD1-CD2 3.89Å; L203-F209 HydrophobicContact CD1-CE2 3.97Å; L203-F209 HydrophobicContact CD1-CG 4.3Å; L203-F209 HydrophobicContact CD1-CZ 4.47Å
204N96.9Very high96.1Very high65 Ų6554.3 Ų54.335%0.34828%0.283SS..Hα-helixtrans-63.8-49177.5177.1-105.8000110.7F200 L201 K206 G208 F209 V211F200-N204 WeakPolarHBondContact O-CB 3.24Å; F200-N204 PolarHBondContact O-N 2.88Å; L201-N204 PolarHBondContact O-N 3.44Å; N204-K206 VanDerWaalsContact C-N 3.3Å; N204-K206 PolarHBondContact O-N 2.99Å; N204-G208 WeakPolarHBondContact O-CA 3.43Å; N204-G208 PolarHBondContact O-N 2.81Å; N204-F209 WeakPolarHBondContact CB-O 3.32Å; N204-F209 PolarHBondContact ND2-O 3.14Å; N204-V211 HydrophobicContact CB-CG2 3.68Å
205E96.6Very high95.6Very high164 Ų16453.8 Ų53.877%0.76630%0.295SS*.Hα-helixtrans-61.5-36.6177.7-71.8175.7-172.100112.9L201L201-E205 WeakPolarHBondContact O-CG 3.12Å; L201-E205 PolarHBondContact O-N 3.16Å
206K95.1Very high95.2Very high137 Ų13749.9 Ų49.960%0.59629%0.285SS*.Hα-helixtrans-86.5-37.4-175.5-71.4179.7-179.2178.30114.4T202 L203 N204T202-K206 HydrophobicContact CG2-CD 4.08Å; T202-K206 WeakPolarHBondContact O-CB 3.4Å; T202-K206 WeakPolarHBondContact O-CG 3.24Å; T202-K206 PolarHBondContact O-N 3.46Å; L203-K206 PolarHBondContact O-N 3.4Å; N204-K206 VanDerWaalsContact C-N 3.3Å; N204-K206 PolarHBondContact O-N 2.99Å
207Y93.4Very high94.9Very high144 Ų14451 Ų5157%0.56529%0.29SS*.Hα-helixtrans-132.81.2-165.6-53.1-63.8000113.8L181 L203 F209L181-Y207 HydrophobicContact CD2-CD1 4.16Å; L181-Y207 HydrophobicContact CD2-CE1 4.36Å; L181-Y207 HydrophobicContact CD2-CG 4.33Å; L203-Y207 HydrophobicContact CD2-CD2 3.88Å; L203-Y207 HydrophobicContact CD2-CE2 4Å; L203-Y207 WeakPolarHBondContact O-CA 3.37Å; L203-Y207 WeakPolarHBondContact O-CB 3.25Å; L203-Y207 PolarHBondContact O-N 2.81Å; Y207-F209 VanDerWaalsContact C-N 3.28Å; Y207-F209 PolarHBondContact O-N 3.4Å
208G93.1Very high94.8Very high58 Ų5850 Ų5060%0.59829%0.285SS*.  trans7219.8-177.100000114.3N204 N210N204-G208 WeakPolarHBondContact O-CA 3.43Å; N204-G208 PolarHBondContact O-N 2.81Å; G208-N210 PolarHBondContact O-N 2.84Å
209F95.2Very high94.5Very high7 Ų748.4 Ų48.43%0.03127%0.27CS..  trans-50.3130.4175.6179.6-88.9000112.1L183 F200 L203 N204 Y207 V211 E217 Y218L183-F209 HydrophobicContact CD1-CE2 3.75Å; L183-F209 HydrophobicContact CD1-CZ 3.97Å; L183-F209 HydrophobicContact CD2-CE2 4.4Å; L183-F209 HydrophobicContact CG-CE2 4.02Å; L183-F209 HydrophobicContact CG-CZ 4.46Å; F200-F209 HydrophobicContact CB-CD1 4.22Å; F200-F209 HydrophobicContact CB-CE1 3.8Å; F200-F209 AromaticContact CD1-CE1 3.74Å; F200-F209 HydrophobicContact CD1-CE1 3.74Å; F200-F209 AromaticContact CD1-CZ 3.8Å; F200-F209 HydrophobicContact CD1-CZ 3.8Å; F200-F209 HydrophobicContact CD2-CE1 4.18Å; F200-F209 HydrophobicContact CE1-CE1 4.32Å; F200-F209 AromaticContact CE1-CZ 3.99Å; F200-F209 HydrophobicContact CE1-CZ 3.99Å; F200-F209 AromaticContact CG-CE1 3.66Å; F200-F209 HydrophobicContact CG-CE1 3.66Å; F200-F209 HydrophobicContact CG-CZ 4.17Å; F200-F209 HydrophobicContact CZ-CZ 4.48Å; L203-F209 HydrophobicContact CB-CB 3.62Å; L203-F209 HydrophobicContact CB-CD1 4.27Å; L203-F209 HydrophobicContact CB-CD2 4.12Å; L203-F209 HydrophobicContact CB-CG 3.77Å; L203-F209 HydrophobicContact CD1-CD2 3.89Å; L203-F209 HydrophobicContact CD1-CE2 3.97Å; L203-F209 HydrophobicContact CD1-CG 4.3Å; L203-F209 HydrophobicContact CD1-CZ 4.47Å; N204-F209 WeakPolarHBondContact CB-O 3.32Å; N204-F209 PolarHBondContact ND2-O 3.14Å; Y207-F209 VanDerWaalsContact C-N 3.28Å; Y207-F209 PolarHBondContact O-N 3.4Å; F209-V211 PolarHBondContact O-N 2.63Å; F209-E217 HydrophobicContact CD2-CB 4.07Å; F209-E217 HydrophobicContact CD2-CG 3.82Å; F209-E217 HydrophobicContact CE2-CB 3.45Å; F209-E217 VanDerWaalsContact CE2-CB 3.45Å; F209-E217 HydrophobicContact CE2-CG 3.75Å; F209-E217 HydrophobicContact CG-CG 4.48Å; F209-E217 HydrophobicContact CZ-CB 3.79Å; F209-E217 HydrophobicContact CZ-CG 4.35Å; F209-Y218 HydrophobicContact CE1-CD1 4.24Å; F209-Y218 HydrophobicContact CE1-CE1 4.01Å; F209-Y218 AromaticContact CZ-CD1 3.68Å; F209-Y218 HydrophobicContact CZ-CD1 3.68Å; F209-Y218 AromaticContact CZ-CE1 3.93Å; F209-Y218 HydrophobicContact CZ-CE1 3.93Å
210N95.2Very high94.4Very high39 Ų3945.6 Ų45.621%0.20926%0.258CS..  trans-73114.2175-166.5-55.7000110.4G208 C212 G213 E214 E217G208-N210 PolarHBondContact O-N 2.84Å; N210-C212 PolarHBondContact O-N 3.03Å; N210-C212 PolarHBondContact OD1-N 3.4Å; N210-G213 PolarHBondContact O-N 3.36Å; N210-G213 PolarHBondContact OD1-N 3.15Å; N210-E214 PolarHBondContact OD1-N 3.21Å; N210-E217 WeakPolarHBondContact CB-OE1 3.48Å; N210-E217 PolarHBondContact N-OE1 2.84Å
211V96.7Very high94.2Very high2 Ų245.7 Ų45.71%0.01226%0.258CS..THydrogen-bonded Turntrans-60.3-34.1-175.6177.80000112.2Q159 A160 L163 L197 F200 L201 N204 F209 Y218Q159-V211 HydrophobicContact CB-CB 4.33Å; A160-V211 HydrophobicContact CB-CG2 4.44Å; L163-V211 HydrophobicContact CB-CG1 4.14Å; L163-V211 HydrophobicContact CD2-CG1 3.53Å; L163-V211 WeakPolarHBondContact CD2-O 3.44Å; L163-V211 HydrophobicContact CG-CG1 4.43Å; L197-V211 HydrophobicContact CD1-CG1 4.28Å; F200-V211 HydrophobicContact CB-CG1 4.45Å; L201-V211 HydrophobicContact CD2-CG1 4.46Å; L201-V211 HydrophobicContact CD2-CG2 4.3Å; N204-V211 HydrophobicContact CB-CG2 3.68Å; F209-V211 PolarHBondContact O-N 2.63Å; V211-Y218 WeakPolarHBondContact O-CE1 3.37Å; V211-Y218 PolarHBondContact O-OH 2.75Å
212C96.4Very high94.2Very high0 Ų044.1 Ų44.10%025%0.25CS..THydrogen-bonded Turntrans-880.4173.6-72.10000113.3K11 I130 Q159 N210 E214 Y218K11-C212 VanDerWaalsContact CE-O 3.31Å; K11-C212 WeakPolarHBondContact CE-O 3.29Å; K11-C212 PolarHBondContact NZ-O 2.87Å; I130-C212 HydrophobicContact CD1-CB 3.76Å; Q159-C212 HydrophobicContact CB-CB 4.29Å; Q159-C212 PolarHBondContact O-SG 3.41Å; Q159-C212 PolarHBondContact OE1-SG 3.2Å; N210-C212 PolarHBondContact O-N 3.03Å; N210-C212 PolarHBondContact OD1-N 3.4Å; C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 HydrophobicContact CB-CG 4.46Å; C212-E214 PolarHBondContact O-N 3.07Å; C212-Y218 WeakPolarHBondContact CA-OH 3.5Å
213G93.9Very high94.1Very high9 Ų942.2 Ų42.29%0.09324%0.238CC..  trans70.817.1178.100000115.1N210 G215 G216 E217N210-G213 PolarHBondContact O-N 3.36Å; N210-G213 PolarHBondContact OD1-N 3.15Å; G213-G215 PolarHBondContact O-N 3.33Å; G213-G215 VanDerWaalsContact O-N 3.11Å; G213-G216 PolarHBondContact O-N 3.24Å; G213-E217 VanDerWaalsContact C-OE2 3.25Å; G213-E217 VanDerWaalsContact CA-OE2 3.29Å; G213-E217 WeakPolarHBondContact CA-OE2 3.17Å
214E88.8Confident94.1Very high58 Ų5842.9 Ų42.927%0.27124%0.242SC..THydrogen-bonded Turntrans-61.4-17.7178.4-70.8-87.5110.200113.1I130 C131 N210 C212 G216I130-E214 HydrophobicContact CB-CG 4.1Å; I130-E214 WeakPolarHBondContact CB-OE2 3.41Å; I130-E214 HydrophobicContact CD1-CG 3.99Å; I130-E214 HydrophobicContact CG1-CG 4.36Å; I130-E214 PolarHBondContact N-OE2 3.16Å; C131-E214 PolarHBondContact N-OE2 3.01Å; N210-E214 PolarHBondContact OD1-N 3.21Å; C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 HydrophobicContact CB-CG 4.46Å; C212-E214 PolarHBondContact O-N 3.07Å; E214-G216 VanDerWaalsContact C-N 3.26Å
215G86Confident94.2Very high62 Ų6239.9 Ų39.964%0.63923%0.226SC*.THydrogen-bonded Turntrans-84.33.5173.400000113.6G213 E217G213-G215 PolarHBondContact O-N 3.33Å; G213-G215 VanDerWaalsContact O-N 3.11Å; G215-E217 VanDerWaalsContact C-OE2 3.25Å; G215-E217 WeakPolarHBondContact CA-OE2 3.39Å; G215-E217 PolarHBondContact N-OE2 3.3Å
216G88.7Confident94.2Very high33 Ų3335.6 Ų35.634%0.3421%0.214SC..SBendtrans82.215.8-174.900000113.6G213 E214 Y218G213-G216 PolarHBondContact O-N 3.24Å; E214-G216 VanDerWaalsContact C-N 3.26Å; G216-Y218 VanDerWaalsContact C-N 3.27Å; G216-Y218 PolarHBondContact O-N 3.45Å
217E92.7Very high94.3Very high27 Ų2730.8 Ų30.813%0.12620%0.195CC..SBendtrans-62.2-36.1-177.1-67.191.1157.700112.8S179 L183 F209 N210 G213 G215S179-E217 PolarHBondContact N-O 2.92Å; L183-E217 WeakPolarHBondContact CD1-O 3.38Å; F209-E217 HydrophobicContact CD2-CB 4.07Å; F209-E217 HydrophobicContact CD2-CG 3.82Å; F209-E217 HydrophobicContact CE2-CB 3.45Å; F209-E217 VanDerWaalsContact CE2-CB 3.45Å; F209-E217 HydrophobicContact CE2-CG 3.75Å; F209-E217 HydrophobicContact CG-CG 4.48Å; F209-E217 HydrophobicContact CZ-CB 3.79Å; F209-E217 HydrophobicContact CZ-CG 4.35Å; N210-E217 WeakPolarHBondContact CB-OE1 3.48Å; N210-E217 PolarHBondContact N-OE1 2.84Å; G213-E217 VanDerWaalsContact C-OE2 3.25Å; G213-E217 VanDerWaalsContact CA-OE2 3.29Å; G213-E217 WeakPolarHBondContact CA-OE2 3.17Å; G215-E217 VanDerWaalsContact C-OE2 3.25Å; G215-E217 WeakPolarHBondContact CA-OE2 3.39Å; G215-E217 PolarHBondContact N-OE2 3.3Å
218Y94.7Very high94.5Very high4 Ų424.3 Ų24.32%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-153.6155.9175.167.4-85.6000110.7K11 L175 K177 L193 F200 F209 V211 C212 G216 T220K11-Y218 WeakPolarHBondContact CE-OH 3.03Å; L175-Y218 HydrophobicContact CD1-CD2 4.44Å; L175-Y218 HydrophobicContact CG-CD2 4.27Å; K177-Y218 CarbonylContact O-C 3.56Å; K177-Y218 WeakPolarHBondContact O-CA 3.16Å; K177-Y218 VanDerWaalsContact O-CB 3.29Å; K177-Y218 WeakPolarHBondContact O-CB 3.13Å; L193-Y218 HydrophobicContact CD1-CE2 3.83Å; F200-Y218 AromaticContact CD2-CE1 3.98Å; F200-Y218 HydrophobicContact CD2-CE1 3.98Å; F200-Y218 AromaticContact CE2-CD1 4Å; F200-Y218 HydrophobicContact CE2-CD1 4Å; F200-Y218 HydrophobicContact CE2-CD2 4.4Å; F200-Y218 AromaticContact CE2-CE1 3.45Å; F200-Y218 HydrophobicContact CE2-CE1 3.45Å; F200-Y218 VanDerWaalsContact CE2-CE1 3.45Å; F200-Y218 AromaticContact CE2-CE2 3.92Å; F200-Y218 HydrophobicContact CE2-CE2 3.92Å; F200-Y218 HydrophobicContact CE2-CG 4.43Å; F200-Y218 AromaticContact CE2-CZ 3.41Å; F200-Y218 VanDerWaalsContact CE2-CZ 3.41Å; F200-Y218 AromaticContact CZ-CD1 3.87Å; F200-Y218 HydrophobicContact CZ-CD1 3.87Å; F200-Y218 HydrophobicContact CZ-CD2 4.33Å; F200-Y218 AromaticContact CZ-CE1 3.82Å; F200-Y218 HydrophobicContact CZ-CE1 3.82Å; F200-Y218 HydrophobicContact CZ-CE2 4.3Å; F200-Y218 HydrophobicContact CZ-CG 4.12Å; F209-Y218 HydrophobicContact CE1-CD1 4.24Å; F209-Y218 HydrophobicContact CE1-CE1 4.01Å; F209-Y218 AromaticContact CZ-CD1 3.68Å; F209-Y218 HydrophobicContact CZ-CD1 3.68Å; F209-Y218 AromaticContact CZ-CE1 3.93Å; F209-Y218 HydrophobicContact CZ-CE1 3.93Å; V211-Y218 WeakPolarHBondContact O-CE1 3.37Å; V211-Y218 PolarHBondContact O-OH 2.75Å; C212-Y218 WeakPolarHBondContact CA-OH 3.5Å; G216-Y218 VanDerWaalsContact C-N 3.27Å; G216-Y218 PolarHBondContact O-N 3.45Å; Y218-T220 HydrophobicContact CD2-CG2 3.68Å; Y218-T220 HydrophobicContact CE2-CG2 3.53Å
219E93.7Very high94.8Very high46 Ų4629.6 Ų29.622%0.21517%0.171CC..EExtended strand (participates in β ladder)trans-114.8152.6170.5-62.4-74-171.600109.8Q64 V176 K177Q64-E219 PolarHBondContact NE2-OE2 3.24Å; Q64-E219 PolarHBondContact OE1-OE2 3.06Å; V176-E219 HydrophobicContact CG2-CB 3.9Å; V176-E219 PolarHBondContact N-O 3.27Å; K177-E219 HydrophobicContact CB-CB 3.64Å; K177-E219 HydrophobicContact CB-CG 3.78Å; K177-E219 HydrophobicContact CD-CG 3.85Å; K177-E219 HydrophobicContact CG-CG 4.36Å; K177-E219 PolarHBondContact N-O 3.44Å; K177-E219 PolarHBondContact O-N 2.83Å
220T94.9Very high94.9Very high4 Ų433 Ų333%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-124.1158.3179.953.70000112.7G10 K11 A173 I174 L193 Y218G10-T220 VanDerWaalsContact CA-O 3.26Å; G10-T220 WeakPolarHBondContact CA-O 3.47Å; K11-T220 HydrophobicContact CD-CG2 4.43Å; K11-T220 PolarHBondContact N-OG1 3.28Å; A173-T220 HydrophobicContact CB-CG2 4.42Å; I174-T220 CarbonylContact O-C 3.45Å; I174-T220 WeakPolarHBondContact O-CA 3.48Å; L193-T220 HydrophobicContact CD1-CG2 4.42Å; L193-T220 HydrophobicContact CD2-CG2 4.32Å; Y218-T220 HydrophobicContact CD2-CG2 3.68Å; Y218-T220 HydrophobicContact CE2-CG2 3.53Å
221L94.5Very high95Very high2 Ų234.8 Ų34.81%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-122.9126.1162.7174.562.6000109.3A70 I74 A173 I174 V176 L232 M234 F258A70-L221 HydrophobicContact CB-CD1 3.4Å; A70-L221 HydrophobicContact CB-CD2 3.55Å; A70-L221 HydrophobicContact CB-CG 4.13Å; I74-L221 HydrophobicContact CD1-CD1 3.84Å; A173-L221 CarbonylContact C-O 3.49Å; A173-L221 VanDerWaalsContact CA-O 3.24Å; A173-L221 WeakPolarHBondContact CA-O 3.27Å; I174-L221 HydrophobicContact CD1-CB 4.35Å; I174-L221 HydrophobicContact CD1-CD2 4.43Å; I174-L221 HydrophobicContact CG1-CB 4Å; I174-L221 WeakPolarHBondContact CG1-O 3.44Å; I174-L221 PolarHBondContact N-O 3.05Å; I174-L221 PolarHBondContact O-N 3.48Å; V176-L221 HydrophobicContact CG1-CB 3.56Å; L221-L232 HydrophobicContact CD2-CD2 4.4Å; L221-M234 HydrophobicContact CD2-CE 4.35Å; L221-F258 HydrophobicContact CD2-CE1 3.44Å; L221-F258 VanDerWaalsContact CD2-CE1 3.44Å; L221-F258 HydrophobicContact CD2-CE2 4.33Å; L221-F258 HydrophobicContact CD2-CZ 3.22Å
222V96.6Very high94.9Very high0 Ų034.9 Ų34.90%019%0.191CC..EExtended strand (participates in β ladder)trans-74.1128175.7177.20000110.7G9 K11 C14 L171 R172 A173 C225 F228G9-V222 PolarHBondContact O-N 3.41Å; K11-V222 HydrophobicContact CB-CG2 4.34Å; C14-V222 HydrophobicContact CB-CB 4.2Å; C14-V222 HydrophobicContact CB-CG1 4.27Å; C14-V222 HydrophobicContact CB-CG2 3.68Å; L171-V222 HydrophobicContact CD2-CG2 4.26Å; L171-V222 HydrophobicContact CG-CG1 4.44Å; R172-V222 CarbonylContact O-C 3.51Å; R172-V222 WeakPolarHBondContact O-CA 3.47Å; A173-V222 HydrophobicContact CB-CG2 4.3Å; V222-C225 HydrophobicContact CG1-CB 4.33Å; V222-F228 HydrophobicContact CG1-CE2 4.04Å; V222-F228 HydrophobicContact CG1-CZ 3.86Å
223T96.4Very high94.8Very high17 Ų1738 Ų3810%0.10421%0.207CC..EExtended strand (participates in β ladder)trans-106.5-25.6179.352.70000113R172 I174 L232R172-T223 PolarHBondContact O-N 3.36Å; R172-T223 PolarHBondContact O-OG1 2.86Å; I174-T223 HydrophobicContact CD1-CG2 4.27Å; I174-T223 HydrophobicContact CG1-CG2 4.12Å; I174-T223 HydrophobicContact CG2-CG2 4.23Å; T223-L232 WeakPolarHBondContact CB-O 3.4Å; T223-L232 PolarHBondContact O-N 3.19Å
224D97.7Very high94.7Very high22 Ų2240.3 Ų40.312%0.11822%0.216CC..EExtended strand (participates in β ladder)trans-154.4149.4172.1-165.810.1000110.4L171 R172 K231 K263L171-D224 WeakPolarHBondContact CA-O 3.3Å; R172-D224 HydrophobicContact CB-CB 4.15Å; R172-D224 HydrophobicContact CG-CB 4.29Å; R172-D224 PolarHBondContact N-O 3.41Å; R172-D224 PolarHBondContact O-N 3.45Å; D224-K231 HydrophobicContact CB-CG 4.33Å; D224-K231 VanDerWaalsContact OD2-CE 3.24Å; D224-K231 WeakPolarHBondContact OD2-CE 3.33Å; D224-K263 WeakPolarHBondContact OD1-CE 3.28Å; D224-K263 IonicContact OD1-NZ 3.64Å; D224-K263 PolarHBondContact OD1-NZ 3.05Å; D224-K263 IonicContact OD2-NZ 2.72Å
225C97.7Very high94.9Very high2 Ų241.6 Ų41.61%0.01423%0.228CC..  trans-155.4174.8167.574.70000110.6L171 V222 I227 F228 K263L171-C225 HydrophobicContact CG-CB 4.34Å; V222-C225 HydrophobicContact CG1-CB 4.33Å; C225-I227 PolarHBondContact O-N 3.24Å; C225-I227 VanDerWaalsContact O-N 3.14Å; C225-I227 VanDerWaalsContact SG-CG1 3.57Å; C225-F228 PolarHBondContact O-N 2.77Å; C225-F228 WeakPolarHBondContact SG-CD1 3.48Å; C225-F228 WeakPolarHBondContact SG-CE1 3.39Å; C225-K263 PolarHBondContact O-NZ 3.42Å
226S96.9Very high95.2Very high74 Ų7441.7 Ų41.752%0.51721%0.214SC..THydrogen-bonded Turntrans-57.5-30.7-174.354.10000114.1
227I97.5Very high95.4Very high36 Ų3642 Ų4219%0.18521%0.214CC..THydrogen-bonded Turntrans-98-5-176.464.2168.8000114.1L17 V21 L78 C225L17-I227 HydrophobicContact CB-CD1 4.18Å; L17-I227 HydrophobicContact CD2-CD1 3.88Å; L17-I227 HydrophobicContact CG-CD1 3.8Å; V21-I227 HydrophobicContact CB-CG2 3.87Å; V21-I227 HydrophobicContact CG1-CG2 3.96Å; V21-I227 HydrophobicContact CG2-CD1 4.47Å; V21-I227 HydrophobicContact CG2-CG2 3.84Å; L78-I227 HydrophobicContact CD2-CB 4.46Å; L78-I227 HydrophobicContact CD2-CD1 3.6Å; L78-I227 HydrophobicContact CD2-CG1 3.64Å; C225-I227 PolarHBondContact O-N 3.24Å; C225-I227 VanDerWaalsContact O-N 3.14Å; C225-I227 VanDerWaalsContact SG-CG1 3.57Å
228F97.8Very high95.4Very high9 Ų944.6 Ų44.64%0.03923%0.226CC..  trans-68.9138.5173.4-80.717.3000109.9I74 A77 L78 V222 C225 Y230 K263I74-F228 HydrophobicContact CB-CZ 4.37Å; I74-F228 HydrophobicContact CG1-CZ 4.08Å; I74-F228 HydrophobicContact CG2-CE1 4.02Å; I74-F228 HydrophobicContact CG2-CZ 3.84Å; A77-F228 HydrophobicContact CB-CD1 4.4Å; A77-F228 HydrophobicContact CB-CD2 3.65Å; A77-F228 HydrophobicContact CB-CE2 3.85Å; A77-F228 HydrophobicContact CB-CG 3.97Å; A77-F228 HydrophobicContact CB-CZ 4.32Å; L78-F228 HydrophobicContact CD1-CE1 4.29Å; L78-F228 HydrophobicContact CD2-CD1 3.51Å; L78-F228 HydrophobicContact CD2-CE1 3.72Å; L78-F228 HydrophobicContact CG-CD1 3.8Å; L78-F228 HydrophobicContact CG-CE1 3.72Å; V222-F228 HydrophobicContact CG1-CE2 4.04Å; V222-F228 HydrophobicContact CG1-CZ 3.86Å; C225-F228 PolarHBondContact O-N 2.77Å; C225-F228 WeakPolarHBondContact SG-CD1 3.48Å; C225-F228 WeakPolarHBondContact SG-CE1 3.39Å; F228-Y230 WeakPolarHBondContact CB-O 3.4Å; F228-Y230 WeakPolarHBondContact CD2-O 3.28Å; F228-K263 HydrophobicContact CB-CD 4.49Å; F228-K263 WeakPolarHBondContact O-CD 3.5Å
229R97.9Very high95.3Very high169 Ų16947.6 Ų47.664%0.63824%0.244SC*.SBendtrans-90.5-23.9168.8-61.6-165.2-178.7-143.5-0.4112.4A77 K263A77-R229 PolarHBondContact O-N 3.45Å; R229-K263 PolarHBondContact O-N 3.28Å
230Y98.1Very high95.2Very high77 Ų7746.1 Ų46.130%0.30224%0.24SC..EExtended strand (participates in β ladder)trans-127.8140.4173.9-59.5-102.5000109.9A77 C79 F228 L260 E261 K262A77-Y230 WeakPolarHBondContact CB-O 3.35Å; A77-Y230 PolarHBondContact O-N 3.08Å; C79-Y230 VanDerWaalsContact SG-CE2 3.55Å; F228-Y230 WeakPolarHBondContact CB-O 3.4Å; F228-Y230 WeakPolarHBondContact CD2-O 3.28Å; Y230-L260 HydrophobicContact CD1-CB 4.18Å; Y230-L260 HydrophobicContact CG-CB 4.36Å; Y230-E261 CarbonylContact C-O 3.59Å; Y230-E261 WeakPolarHBondContact CA-O 3.34Å; Y230-E261 WeakPolarHBondContact CB-O 3.35Å; Y230-K262 HydrophobicContact CD1-CB 3.8Å; Y230-K262 HydrophobicContact CD1-CG 4.29Å; Y230-K262 HydrophobicContact CE1-CB 3.62Å; Y230-K262 HydrophobicContact CE1-CD 4.46Å; Y230-K262 HydrophobicContact CE1-CG 3.88Å
231K97Very high95.1Very high78 Ų7849.6 Ų49.634%0.33926%0.261SS..EExtended strand (participates in β ladder)trans-75.1145.8166.1-56.4-173.1179.4175.30109.5D224 L233 L260 E261 K263D224-K231 HydrophobicContact CB-CG 4.33Å; D224-K231 VanDerWaalsContact OD2-CE 3.24Å; D224-K231 WeakPolarHBondContact OD2-CE 3.33Å; K231-L233 HydrophobicContact CB-CD2 4.48Å; K231-L260 WeakPolarHBondContact O-CA 3.47Å; K231-E261 HydrophobicContact CB-CB 4.45Å; K231-E261 PolarHBondContact N-O 2.87Å; K231-E261 PolarHBondContact O-N 2.64Å; K231-K263 HydrophobicContact CG-CD 4.34Å; K231-K263 HydrophobicContact CG-CG 3.85Å
232L94.7Very high94.7Very high3 Ų353.6 Ų53.62%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-99.1106.2173.3-173.567000109.3F73 L221 T223 F258 L260F73-L232 HydrophobicContact CB-CD1 3.57Å; F73-L232 HydrophobicContact CB-CD2 4.02Å; F73-L232 HydrophobicContact CB-CG 4.46Å; F73-L232 HydrophobicContact CD1-CD1 3.95Å; F73-L232 HydrophobicContact CG-CD1 4.14Å; L221-L232 HydrophobicContact CD2-CD2 4.4Å; T223-L232 WeakPolarHBondContact CB-O 3.4Å; T223-L232 PolarHBondContact O-N 3.19Å; L232-F258 HydrophobicContact CD1-CB 3.4Å; L232-F258 HydrophobicContact CD1-CD1 3.86Å; L232-F258 HydrophobicContact CD1-CG 3.75Å; L232-F258 HydrophobicContact CD2-CD1 3.71Å; L232-F258 HydrophobicContact CD2-CE1 3.89Å; L232-F258 HydrophobicContact CD2-CG 4.18Å; L232-F258 HydrophobicContact CG-CB 4.04Å; L232-F258 HydrophobicContact CG-CD1 3.5Å; L232-F258 HydrophobicContact CG-CE1 4.16Å; L232-F258 HydrophobicContact CG-CG 3.94Å; L232-L260 HydrophobicContact CD1-CD2 4Å
233L94.3Very high94.2Very high67 Ų6757.4 Ų57.435%0.35131%0.306SS..EExtended strand (participates in β ladder)trans-93.7116.8178.5-57.3-178.9000109.3K231 T235 F258 R259 E261K231-L233 HydrophobicContact CB-CD2 4.48Å; L233-T235 PolarHBondContact O-N 3.16Å; L233-F258 CarbonylContact O-C 3.58Å; L233-F258 WeakPolarHBondContact O-CA 3.01Å; L233-R259 PolarHBondContact N-O 3.33Å; L233-R259 PolarHBondContact O-N 2.98Å; L233-E261 HydrophobicContact CD1-CB 3.81Å; L233-E261 HydrophobicContact CD1-CG 4.5Å; L233-E261 HydrophobicContact CG-CB 4.18Å
234M92Very high93.6Very high57 Ų5760.9 Ų60.928%0.28134%0.336SS..EExtended strand (participates in β ladder)trans-72.3119.9172.5-178.3171.9-79.200109.8I174 L221 A237 L253 L256 S257 F258I174-M234 HydrophobicContact CD1-CE 3.04Å; I174-M234 HydrophobicContact CD1-SD 3.64Å; L221-M234 HydrophobicContact CD2-CE 4.35Å; M234-A237 HydrophobicContact CG-CB 4.29Å; M234-A237 HydrophobicContact SD-CB 3.53Å; M234-A237 VanDerWaalsContact SD-CB 3.53Å; M234-L253 HydrophobicContact CE-CD1 4.4Å; M234-L253 HydrophobicContact SD-CD1 4.23Å; M234-L256 HydrophobicContact CE-CD1 4.29Å; M234-L256 HydrophobicContact CE-CD2 3.61Å; M234-L256 HydrophobicContact CE-CG 4.4Å; M234-L256 HydrophobicContact SD-CD2 4.23Å; M234-S257 CarbonylContact C-O 3.58Å; M234-S257 WeakPolarHBondContact CA-O 3.46Å; M234-F258 HydrophobicContact CB-CD1 4.05Å; M234-F258 HydrophobicContact CB-CE1 4.01Å; M234-F258 HydrophobicContact CE-CE1 3.45Å; M234-F258 VanDerWaalsContact CE-CE1 3.45Å; M234-F258 HydrophobicContact CE-CZ 3.66Å; M234-F258 HydrophobicContact CG-CE1 4.25Å
235T92.7Very high93Very high84 Ų8463.2 Ų63.252%0.51535%0.349SS..EExtended strand (participates in β ladder)trans-104.2-20.5-17856.60000113.2L233 S257 R259L233-T235 PolarHBondContact O-N 3.16Å; T235-S257 PolarHBondContact N-O 3.2Å; T235-S257 VanDerWaalsContact OG1-C 3.3Å; T235-S257 VanDerWaalsContact OG1-CB 3.3Å; T235-S257 WeakPolarHBondContact OG1-CB 3.33Å; T235-S257 PolarHBondContact OG1-O 3.17Å; T235-R259 HydrophobicContact CG2-CB 3.99Å
236N92.9Very high92.1Very high65 Ų6568.9 Ų68.935%0.34839%0.389SS..EExtended strand (participates in β ladder)trans-146.4141173.5-168.661.3000109.9N255 L256 S257N236-N255 PolarHBondContact ND2-O 3.17Å; N236-L256 WeakPolarHBondContact O-CA 3.46Å; N236-S257 PolarHBondContact N-O 3.04Å; N236-S257 PolarHBondContact O-N 3.49Å
237A91.7Very high91.2Very high40 Ų4069.9 Ų69.933%0.33139%0.391SS..EExtended strand (participates in β ladder)trans-159.4141.1167.100000109.5M234 L253 L256M234-A237 HydrophobicContact CG-CB 4.29Å; M234-A237 HydrophobicContact SD-CB 3.53Å; M234-A237 VanDerWaalsContact SD-CB 3.53Å; A237-L253 HydrophobicContact CB-CB 4.45Å; A237-L253 HydrophobicContact CB-CD1 4.07Å; A237-L253 HydrophobicContact CB-CD2 4.22Å; A237-L253 HydrophobicContact CB-CG 4.5Å; A237-L256 HydrophobicContact CB-CD2 3.61Å
238E93.1Very high90.6Very high80 Ų8070 Ų7037%0.37439%0.394SS..EExtended strand (participates in β ladder)trans-119.6141174.1-69.8168-138.400109.6L253 K254 N255E238-L253 CarbonylContact O-C 3.51Å; E238-L253 WeakPolarHBondContact O-CA 3.39Å; E238-K254 HydrophobicContact CB-CG 3.86Å; E238-K254 PolarHBondContact N-O 3.45Å; E238-K254 PolarHBondContact O-N 3.17Å; E238-K254 WeakPolarHBondContact OE2-CE 3.4Å; E238-N255 PolarHBondContact OE1-ND2 3.3Å; E238-N255 PolarHBondContact OE2-ND2 3Å; E238-N255 VanDerWaalsContact OE2-ND2 3.09Å
239V93.8Very high90.3Very high67 Ų6770.5 Ų70.541%0.40640%0.401SS..EExtended strand (participates in β ladder)trans-79126.9173.6173.50000109.6P185 L189 V241 L253P185-V239 HydrophobicContact CB-CG1 4.42Å; L189-V239 HydrophobicContact CB-CG2 4.17Å; L189-V239 HydrophobicContact CD1-CG1 3.86Å; L189-V239 HydrophobicContact CD1-CG2 4.25Å; V239-V241 HydrophobicContact CG1-CG2 4.15Å; V239-L253 HydrophobicContact CG2-CD2 3.93Å
240A91.3Very high90Very high15 Ų1563.9 Ų63.912%0.12438%0.379CS..EExtended strand (participates in β ladder)trans-114.4112168.900000109.6G251 H252 K254A240-G251 CarbonylContact O-C 3.57Å; A240-G251 WeakPolarHBondContact O-CA 3.34Å; A240-H252 PolarHBondContact N-O 3Å; A240-H252 PolarHBondContact O-N 3.29Å; A240-K254 HydrophobicContact CB-CB 4.49Å; A240-K254 HydrophobicContact CB-CD 3.84Å; A240-K254 HydrophobicContact CB-CG 4.06Å
241V91.9Very high89.8Confident77 Ų7760.3 Ų60.347%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-85.2119.6172.7-1780000108.2P185 V239 N243 A244 V250P185-V241 HydrophobicContact CB-CG2 4.32Å; V239-V241 HydrophobicContact CG1-CG2 4.15Å; V241-N243 WeakPolarHBondContact CG1-O 3.34Å; V241-A244 HydrophobicContact CG1-CB 4.11Å; V241-V250 CarbonylContact C-O 3.57Å
242T87.2Confident89.5Confident86 Ų8658.6 Ų58.653%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-97.8-29.6-179.653.10000112.3V250 H252T242-V250 PolarHBondContact N-O 2.91Å; T242-V250 VanDerWaalsContact OG1-CG1 3.32Å; T242-V250 WeakPolarHBondContact OG1-CG1 3.08Å; T242-V250 PolarHBondContact OG1-O 3.06Å; T242-H252 VanDerWaalsContact CG2-CE1 3.43Å; T242-H252 WeakPolarHBondContact CG2-CE1 3.46Å
243N86.2Confident89.4Confident81 Ų8158.9 Ų58.943%0.43336%0.36SS..EExtended strand (participates in β ladder)trans-132.3120.4168.9-172.8-10.4000108.8V241 D245 A249 V250V241-N243 WeakPolarHBondContact CG1-O 3.34Å; N243-D245 VanDerWaalsContact C-N 3.31Å; N243-D245 WeakPolarHBondContact OD1-CB 3.31Å; N243-D245 PolarHBondContact OD1-N 2.85Å; N243-A249 CarbonylContact O-C 3.58Å; N243-A249 VanDerWaalsContact O-CA 3.25Å; N243-A249 WeakPolarHBondContact O-CA 3.27Å; N243-V250 HydrophobicContact CB-CB 3.84Å; N243-V250 HydrophobicContact CB-CG2 3.95Å; N243-V250 PolarHBondContact N-O 2.64Å; N243-V250 VanDerWaalsContact N-O 3.16Å; N243-V250 PolarHBondContact O-N 2.68Å
244A83.7Confident89.1Confident89 Ų8959 Ų5974%0.73636%0.357SS*.  trans-95.124.1-179.500000112.8V241 S246V241-A244 HydrophobicContact CG1-CB 4.11Å; A244-S246 PolarHBondContact O-N 2.76Å
245D84.9Confident88.8Confident72 Ų7258.2 Ų58.239%0.38535%0.354SS..  trans-54.1133.7175.3-176.2-85.7000111.2N243 V247 C248 A249N243-D245 VanDerWaalsContact C-N 3.31Å; N243-D245 WeakPolarHBondContact OD1-CB 3.31Å; N243-D245 PolarHBondContact OD1-N 2.85Å; D245-V247 PolarHBondContact O-N 3.18Å; D245-V247 VanDerWaalsContact OD1-CA 3.31Å; D245-V247 WeakPolarHBondContact OD1-CA 3.4Å; D245-V247 VanDerWaalsContact OD1-CB 3.27Å; D245-V247 WeakPolarHBondContact OD1-CB 3.28Å; D245-V247 PolarHBondContact OD1-N 3.49Å; D245-C248 PolarHBondContact OD1-N 3.02Å; D245-A249 PolarHBondContact O-N 3.17Å
246S77.4Confident88.6Confident121 Ų12154.4 Ų54.485%0.84633%0.331SS*.SBendtrans-67.4-15.6-175.352.80000114.2A244A244-S246 PolarHBondContact O-N 2.76Å
247V79.4Confident88.4Confident94 Ų9451.7 Ų51.757%0.5732%0.317SS*.SBendtrans-107-42.5-176.8-177.90000110.5L181 D245L181-V247 HydrophobicContact CD1-CG1 3.66Å; L181-V247 VanDerWaalsContact CD1-O 3.28Å; L181-V247 WeakPolarHBondContact CD1-O 3.43Å; D245-V247 PolarHBondContact O-N 3.18Å; D245-V247 VanDerWaalsContact OD1-CA 3.31Å; D245-V247 WeakPolarHBondContact OD1-CA 3.4Å; D245-V247 VanDerWaalsContact OD1-CB 3.27Å; D245-V247 WeakPolarHBondContact OD1-CB 3.28Å; D245-V247 PolarHBondContact OD1-N 3.49Å
248C85.6Confident88.3Confident38 Ų3849.9 Ų49.926%0.25730%0.302SS..SBendtrans-13474.2179.8-1680000111.3S180 D245 V250S180-C248 VanDerWaalsContact C-SG 3.59Å; D245-C248 PolarHBondContact OD1-N 3.02Å; C248-V250 PolarHBondContact O-N 3.25Å
249A90.1Very high88.3Confident21 Ų2153.8 Ų53.817%0.17431%0.313CS..  trans-66.1132.2172.500000110.5P185 N243 D245P185-A249 HydrophobicContact CG-CB 3.98Å; N243-A249 CarbonylContact O-C 3.58Å; N243-A249 VanDerWaalsContact O-CA 3.25Å; N243-A249 WeakPolarHBondContact O-CA 3.27Å; D245-A249 PolarHBondContact O-N 3.17Å
250V92.4Very high88.4Confident30 Ų3053.3 Ų53.318%0.18231%0.308CS..EExtended strand (participates in β ladder)trans-111.3134.4177.9-1760000108.7T178 S179 V241 T242 N243 C248T178-V250 WeakPolarHBondContact O-CA 3.4Å; S179-V250 WeakPolarHBondContact OG-CG1 3.48Å; V241-V250 CarbonylContact C-O 3.57Å; T242-V250 PolarHBondContact N-O 2.91Å; T242-V250 VanDerWaalsContact OG1-CG1 3.32Å; T242-V250 WeakPolarHBondContact OG1-CG1 3.08Å; T242-V250 PolarHBondContact OG1-O 3.06Å; N243-V250 HydrophobicContact CB-CB 3.84Å; N243-V250 HydrophobicContact CB-CG2 3.95Å; N243-V250 PolarHBondContact N-O 2.64Å; N243-V250 VanDerWaalsContact N-O 3.16Å; N243-V250 PolarHBondContact O-N 2.68Å; C248-V250 PolarHBondContact O-N 3.25Å
251G92.4Very high88.6Confident1 Ų157 Ų571%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-160.8166.6175.100000112.9K177 T178 A240K177-G251 WeakPolarHBondContact CA-O 3.48Å; T178-G251 PolarHBondContact N-O 2.84Å; T178-G251 PolarHBondContact O-N 2.98Å; T178-G251 VanDerWaalsContact O-N 3.14Å; A240-G251 CarbonylContact O-C 3.57Å; A240-G251 WeakPolarHBondContact O-CA 3.34Å
252H92.5Very high88.8Confident42 Ų4260.7 Ų60.719%0.19433%0.332CS..EExtended strand (participates in β ladder)trans-144.3162.9178.361.8-81.1000111.1V66 V176 K177 A240 T242V66-H252 HydrophobicContact CG1-CB 4.44Å; V176-H252 CarbonylContact O-C 3.57Å; V176-H252 WeakPolarHBondContact O-CA 3.36Å; V176-H252 WeakPolarHBondContact O-CB 3.33Å; K177-H252 HydrophobicContact CB-CB 4.29Å; K177-H252 HydrophobicContact CG-CB 4.37Å; A240-H252 PolarHBondContact N-O 3Å; A240-H252 PolarHBondContact O-N 3.29Å; T242-H252 VanDerWaalsContact CG2-CE1 3.43Å; T242-H252 WeakPolarHBondContact CG2-CE1 3.46Å
253L92.5Very high89.1Confident9 Ų959.4 Ų59.45%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-82.5135.9170.3-63.7-177.7000110.7V176 L189 M234 A237 E238 V239 L256V176-L253 HydrophobicContact CG1-CD1 4.26Å; V176-L253 PolarHBondContact O-N 2.91Å; L189-L253 HydrophobicContact CB-CD2 3.74Å; L189-L253 HydrophobicContact CB-CG 4.17Å; L189-L253 HydrophobicContact CD1-CD2 4.37Å; L189-L253 HydrophobicContact CD2-CG 4.44Å; M234-L253 HydrophobicContact CE-CD1 4.4Å; M234-L253 HydrophobicContact SD-CD1 4.23Å; A237-L253 HydrophobicContact CB-CB 4.45Å; A237-L253 HydrophobicContact CB-CD1 4.07Å; A237-L253 HydrophobicContact CB-CD2 4.22Å; A237-L253 HydrophobicContact CB-CG 4.5Å; E238-L253 CarbonylContact O-C 3.51Å; E238-L253 WeakPolarHBondContact O-CA 3.39Å; V239-L253 HydrophobicContact CG2-CD2 3.93Å; L253-L256 HydrophobicContact CB-CD2 3.64Å; L253-L256 HydrophobicContact CD1-CD2 4.36Å
254K88.1Confident89Confident69 Ų6962.9 Ų62.930%0.337%0.374SS..EExtended strand (participates in β ladder)trans-124.4171.5175.369.2169.4176.5-177.70111.4V52 E238 A240 L256V52-K254 HydrophobicContact CB-CB 3.76Å; V52-K254 HydrophobicContact CG1-CB 3.97Å; V52-K254 HydrophobicContact CG2-CB 4.23Å; E238-K254 HydrophobicContact CB-CG 3.86Å; E238-K254 PolarHBondContact N-O 3.45Å; E238-K254 PolarHBondContact O-N 3.17Å; E238-K254 WeakPolarHBondContact OE2-CE 3.4Å; A240-K254 HydrophobicContact CB-CB 4.49Å; A240-K254 HydrophobicContact CB-CD 3.84Å; A240-K254 HydrophobicContact CB-CG 4.06Å; K254-L256 PolarHBondContact O-N 3Å
255N85.8Confident89.2Confident41 Ų4161.6 Ų61.622%0.21936%0.356CS..EExtended strand (participates in β ladder)trans54.937.3179.1-64-22000113.4C50 N236 E238 S257C50-N255 CarbonylContact O-C 3.55Å; C50-N255 WeakPolarHBondContact O-CA 3.47Å; N236-N255 PolarHBondContact ND2-O 3.17Å; E238-N255 PolarHBondContact OE1-ND2 3.3Å; E238-N255 PolarHBondContact OE2-ND2 3Å; E238-N255 VanDerWaalsContact OE2-ND2 3.09Å; N255-S257 PolarHBondContact O-N 2.98Å
256L87.4Confident89.5Confident4 Ų461 Ų612%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-63.1133.3-175.5-58.1-176.1000111C50 M234 N236 A237 L253 K254 F258C50-L256 WeakPolarHBondContact CA-O 3.37Å; C50-L256 HydrophobicContact CB-CB 4.48Å; C50-L256 VanDerWaalsContact CB-O 3.23Å; C50-L256 WeakPolarHBondContact CB-O 3.44Å; C50-L256 PolarHBondContact N-O 2.96Å; C50-L256 PolarHBondContact O-N 2.89Å; C50-L256 VanDerWaalsContact O-O 3.13Å; M234-L256 HydrophobicContact CE-CD1 4.29Å; M234-L256 HydrophobicContact CE-CD2 3.61Å; M234-L256 HydrophobicContact CE-CG 4.4Å; M234-L256 HydrophobicContact SD-CD2 4.23Å; N236-L256 WeakPolarHBondContact O-CA 3.46Å; A237-L256 HydrophobicContact CB-CD2 3.61Å; L253-L256 HydrophobicContact CB-CD2 3.64Å; L253-L256 HydrophobicContact CD1-CD2 4.36Å; K254-L256 PolarHBondContact O-N 3Å; L256-F258 HydrophobicContact CB-CE2 3.64Å; L256-F258 HydrophobicContact CB-CZ 3.84Å; L256-F258 HydrophobicContact CD1-CE2 4.42Å; L256-F258 HydrophobicContact CD1-CZ 4.03Å; L256-F258 HydrophobicContact CG-CZ 4.46Å
257S88.7Confident90.1Very high8 Ų857.7 Ų57.76%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-130.3146.7169.8-60.20000109.6M234 T235 N236 N255M234-S257 CarbonylContact C-O 3.58Å; M234-S257 WeakPolarHBondContact CA-O 3.46Å; T235-S257 PolarHBondContact N-O 3.2Å; T235-S257 VanDerWaalsContact OG1-C 3.3Å; T235-S257 VanDerWaalsContact OG1-CB 3.3Å; T235-S257 WeakPolarHBondContact OG1-CB 3.33Å; T235-S257 PolarHBondContact OG1-O 3.17Å; N236-S257 PolarHBondContact N-O 3.04Å; N236-S257 PolarHBondContact O-N 3.49Å; N255-S257 PolarHBondContact O-N 2.98Å
258F90.2Very high90.8Very high3 Ų355.5 Ų55.51%0.01331%0.313CS..EExtended strand (participates in β ladder)trans-137.8156.8-177.9-50.8-92.9000113.5L48 A70 F73 L221 L232 L233 M234 L256L48-F258 PolarHBondContact O-N 3.48Å; A70-F258 HydrophobicContact CB-CE2 4.15Å; A70-F258 HydrophobicContact CB-CZ 4.18Å; F73-F258 HydrophobicContact CD1-CB 3.72Å; F73-F258 AromaticContact CD1-CD2 3.98Å; F73-F258 HydrophobicContact CD1-CD2 3.98Å; F73-F258 HydrophobicContact CD1-CG 4.17Å; F73-F258 HydrophobicContact CD2-CD2 4.18Å; F73-F258 HydrophobicContact CE1-CB 3.64Å; F73-F258 AromaticContact CE1-CD2 3.65Å; F73-F258 HydrophobicContact CE1-CD2 3.65Å; F73-F258 HydrophobicContact CE1-CG 4.09Å; F73-F258 AromaticContact CE2-CD2 3.96Å; F73-F258 HydrophobicContact CE2-CD2 3.96Å; F73-F258 HydrophobicContact CE2-CE2 4.4Å; F73-F258 HydrophobicContact CG-CD2 4.18Å; F73-F258 HydrophobicContact CZ-CB 4.49Å; F73-F258 AromaticContact CZ-CD2 3.67Å; F73-F258 HydrophobicContact CZ-CD2 3.67Å; F73-F258 HydrophobicContact CZ-CE2 4.47Å; L221-F258 HydrophobicContact CD2-CE1 3.44Å; L221-F258 VanDerWaalsContact CD2-CE1 3.44Å; L221-F258 HydrophobicContact CD2-CE2 4.33Å; L221-F258 HydrophobicContact CD2-CZ 3.22Å; L232-F258 HydrophobicContact CD1-CB 3.4Å; L232-F258 HydrophobicContact CD1-CD1 3.86Å; L232-F258 HydrophobicContact CD1-CG 3.75Å; L232-F258 HydrophobicContact CD2-CD1 3.71Å; L232-F258 HydrophobicContact CD2-CE1 3.89Å; L232-F258 HydrophobicContact CD2-CG 4.18Å; L232-F258 HydrophobicContact CG-CB 4.04Å; L232-F258 HydrophobicContact CG-CD1 3.5Å; L232-F258 HydrophobicContact CG-CE1 4.16Å; L232-F258 HydrophobicContact CG-CG 3.94Å; L233-F258 CarbonylContact O-C 3.58Å; L233-F258 WeakPolarHBondContact O-CA 3.01Å; M234-F258 HydrophobicContact CB-CD1 4.05Å; M234-F258 HydrophobicContact CB-CE1 4.01Å; M234-F258 HydrophobicContact CE-CE1 3.45Å; M234-F258 VanDerWaalsContact CE-CE1 3.45Å; M234-F258 HydrophobicContact CE-CZ 3.66Å; M234-F258 HydrophobicContact CG-CE1 4.25Å; L256-F258 HydrophobicContact CB-CE2 3.64Å; L256-F258 HydrophobicContact CB-CZ 3.84Å; L256-F258 HydrophobicContact CD1-CE2 4.42Å; L256-F258 HydrophobicContact CD1-CZ 4.03Å; L256-F258 HydrophobicContact CG-CZ 4.46Å
259R93.6Very high91.1Very high162 Ų16256.6 Ų56.661%0.61132%0.316SS*.EExtended strand (participates in β ladder)trans-125.3141168.8-179.6178.2176.3-176.1-0.7109.6L233 T235L233-R259 PolarHBondContact N-O 3.33Å; L233-R259 PolarHBondContact O-N 2.98Å; T235-R259 HydrophobicContact CG2-CB 3.99Å
260L95.1Very high91.2Very high57 Ų5759 Ų5930%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-87.6131.3170.8-65.3168.5000110.1A77 Y230 K231 L232A77-L260 HydrophobicContact CB-CD2 4.17Å; Y230-L260 HydrophobicContact CD1-CB 4.18Å; Y230-L260 HydrophobicContact CG-CB 4.36Å; K231-L260 WeakPolarHBondContact O-CA 3.47Å; L232-L260 HydrophobicContact CD1-CD2 4Å
261E96.1Very high91.1Very high91 Ų9161.1 Ų61.143%0.42534%0.336SS..EExtended strand (participates in β ladder)trans-118.6123.1173.4-179.1-179.5-96.500109.7Y230 K231 L233 K263Y230-E261 CarbonylContact C-O 3.59Å; Y230-E261 WeakPolarHBondContact CA-O 3.34Å; Y230-E261 WeakPolarHBondContact CB-O 3.35Å; K231-E261 HydrophobicContact CB-CB 4.45Å; K231-E261 PolarHBondContact N-O 2.87Å; K231-E261 PolarHBondContact O-N 2.64Å; L233-E261 HydrophobicContact CD1-CB 3.81Å; L233-E261 HydrophobicContact CD1-CG 4.5Å; L233-E261 HydrophobicContact CG-CB 4.18Å; E261-K263 PolarHBondContact O-N 2.95Å
262K95.7Very high91Very high155 Ų15565.7 Ų65.767%0.67436%0.361SS*.EExtended strand (participates in β ladder)trans-65.7132.4-178.7-168.9178.9176-176.10110.1Y230Y230-K262 HydrophobicContact CD1-CB 3.8Å; Y230-K262 HydrophobicContact CD1-CG 4.29Å; Y230-K262 HydrophobicContact CE1-CB 3.62Å; Y230-K262 HydrophobicContact CE1-CD 4.46Å; Y230-K262 HydrophobicContact CE1-CG 3.88Å
263K94.1Very high90.9Very high60 Ų6067.7 Ų67.726%0.26138%0.375SS..  trans-71.4136.8171.9-64.4175.582.7162.90109.5D224 C225 F228 R229 K231 E261D224-K263 WeakPolarHBondContact OD1-CE 3.28Å; D224-K263 IonicContact OD1-NZ 3.64Å; D224-K263 PolarHBondContact OD1-NZ 3.05Å; D224-K263 IonicContact OD2-NZ 2.72Å; C225-K263 PolarHBondContact O-NZ 3.42Å; F228-K263 HydrophobicContact CB-CD 4.49Å; F228-K263 WeakPolarHBondContact O-CD 3.5Å; R229-K263 PolarHBondContact O-N 3.28Å; K231-K263 HydrophobicContact CG-CD 4.34Å; K231-K263 HydrophobicContact CG-CG 3.85Å; E261-K263 PolarHBondContact O-N 2.95Å
264G83.2Confident90.7Very high153 Ų15373 Ų73100%1.57741%0.405SS*.  trans-66.4017900000113.3

Retrieved 264 of 264 residues in 147.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).