G4VRL5_SCHMA Loading...

hydroxymethylbilane synthase

AlphaFold DB , UniProt , Accession G4VRL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 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
1M37.1Very low67.8Low244 Ų244103.8 Ų103.8100%1.20260%0.601SS**  0102.20-68.6-160.2-123.900107.9G3M1-G3 PolarHBondContact O-N 3.01Å
2L37.9Very low70.3Confident184 Ų18495.2 Ų95.296%0.96355%0.551SS**  trans-74.999.6164-74.7161000105.1S4L2-S4 PolarHBondContact O-N 3.18Å
3G41.7Very low72.4Confident70 Ų7087.8 Ų87.872%0.72251%0.508SS*.  trans-59.7110.317500000107.8M1 S5M1-G3 PolarHBondContact O-N 3.01Å; G3-S5 PolarHBondContact O-N 3.1Å; G3-S5 VanDerWaalsContact O-N 3.1Å
4S48Very low74Confident112 Ų11281.6 Ų81.678%0.78347%0.473SS*.PPolyproline II helixtrans-52.8118.7168.248.60000107.1L2L2-S4 PolarHBondContact O-N 3.18Å
5S54.2Low75.2Confident108 Ų10879.1 Ų79.176%0.75545%0.452SS*.PPolyproline II helixtrans-48.2135.1174.8-580000109.1G3 R7G3-S5 PolarHBondContact O-N 3.1Å; G3-S5 VanDerWaalsContact O-N 3.1Å; S5-R7 PolarHBondContact O-N 2.97Å
6P65Low76.1Confident115 Ų11583.6 Ų83.675%0.74746%0.46SS*.PPolyproline II helixtrans-56.7127.8-178.322-31.5000108.9N8P6-N8 PolarHBondContact O-N 3.18Å
7R80.5Confident76.8Confident75 Ų7580.2 Ų80.228%0.28344%0.443SS..  trans-65.7103.2177-178.5173.3178.9176.117.7108.5S5 V9 D80 D228 F230S5-R7 PolarHBondContact O-N 2.97Å; R7-V9 WeakPolarHBondContact CG-O 3.31Å; R7-D80 IonicContact CZ-OD1 3.06Å; R7-D80 IonicContact CZ-OD2 3.46Å; R7-D80 IonicContact NH2-OD1 2.87Å; R7-D80 PolarHBondContact NH2-OD1 3.34Å; R7-D80 IonicContact NH2-OD2 3.41Å; R7-D80 PolarHBondContact NH2-OD2 2.72Å; R7-D228 IonicContact CZ-OD2 3.54Å; R7-D228 IonicContact NH1-OD1 3.31Å; R7-D228 PolarHBondContact NH1-OD1 3.23Å; R7-D228 IonicContact NH1-OD2 2.86Å; R7-D228 PolarHBondContact NH1-OD2 3.46Å; R7-D228 IonicContact NH2-OD2 3.58Å; R7-F230 HydrophobicContact CB-CE1 4.07Å; R7-F230 HydrophobicContact CB-CE2 4.31Å; R7-F230 HydrophobicContact CB-CZ 3.93Å; R7-F230 VanDerWaalsContact CD-CE1 3.48Å; R7-F230 HydrophobicContact CG-CD1 4.37Å; R7-F230 HydrophobicContact CG-CE1 3.82Å; R7-F230 HydrophobicContact CG-CZ 4.1Å; R7-F230 WeakPolarHBondContact O-CZ 3.4Å
8N88.8Confident77.7Confident104 Ų10479.9 Ų79.956%0.55644%0.441SS*.  trans-100.7-3.6-177.863.5-17.4000112.8P6 L39P6-N8 PolarHBondContact O-N 3.18Å; N8-L39 WeakPolarHBondContact O-CB 3.35Å; N8-L39 PolarHBondContact O-N 3.4Å
9V96.1Very high78.6Confident47 Ų4777.6 Ų77.629%0.28543%0.427SS..EExtended strand (participates in β ladder)trans-125131.4176.1-173.90000109.9R7 L39 E41R7-V9 WeakPolarHBondContact CG-O 3.31Å; V9-L39 CarbonylContact C-O 3.57Å; V9-L39 VanDerWaalsContact CA-O 3.31Å; V9-L39 WeakPolarHBondContact CA-O 3.33Å; V9-L39 HydrophobicContact CG2-CB 4.39Å; V9-L39 HydrophobicContact CG2-CD2 4.3Å; V9-E41 HydrophobicContact CG1-CB 4.42Å
10V98Very high79.3Confident0 Ų074.3 Ų74.30%041%0.41CS..EExtended strand (participates in β ladder)trans-122.2117.3172.9173.70000108.5V12 I38 L39 F40 E41 D80 L81 F230 I231 L234V10-V12 HydrophobicContact CG1-CG2 4.27Å; V10-I38 HydrophobicContact CB-CG2 4.18Å; V10-I38 HydrophobicContact CG2-CG2 3.65Å; V10-L39 PolarHBondContact N-O 3.34Å; V10-F40 HydrophobicContact CB-CD1 3.73Å; V10-F40 HydrophobicContact CB-CE1 3.83Å; V10-F40 HydrophobicContact CG1-CD1 3.84Å; V10-F40 HydrophobicContact CG1-CE1 3.91Å; V10-F40 HydrophobicContact CG2-CE1 4.18Å; V10-F40 CarbonylContact O-C 3.59Å; V10-F40 WeakPolarHBondContact O-CA 3.46Å; V10-E41 PolarHBondContact O-N 3.31Å; V10-D80 HydrophobicContact CG1-CB 4.16Å; V10-L81 HydrophobicContact CG1-CD2 3.7Å; V10-L81 HydrophobicContact CG1-CG 4.49Å; V10-F230 HydrophobicContact CG2-CE1 3.79Å; V10-I231 HydrophobicContact CG1-CD1 3.79Å; V10-I231 HydrophobicContact CG2-CD1 3.98Å; V10-L234 HydrophobicContact CG2-CD1 4.03Å
11R98.2Very high80.1Confident83 Ų8372.9 Ų72.931%0.31340%0.402SS..EExtended strand (participates in β ladder)trans-87120.2178.1-66.9165.4-63.3161.98.3109.8E41 V43 G77 E78 D80 L81R11-E41 CarbonylContact C-O 3.51Å; R11-E41 WeakPolarHBondContact CA-O 3.49Å; R11-V43 HydrophobicContact CB-CG2 4.02Å; R11-V43 HydrophobicContact CG-CG2 4.33Å; R11-G77 VanDerWaalsContact CZ-O 3.23Å; R11-G77 PolarHBondContact NH1-O 3.15Å; R11-G77 PolarHBondContact NH2-O 3.22Å; R11-E78 WeakPolarHBondContact CD-O 3.42Å; R11-E78 PolarHBondContact NE-O 3.19Å; R11-E78 PolarHBondContact NH1-O 2.9Å; R11-D80 IonicContact CZ-OD1 3.8Å; R11-D80 PolarHBondContact N-OD2 2.7Å; R11-D80 IonicContact NE-OD1 3.85Å; R11-D80 IonicContact NE-OD2 3.46Å; R11-D80 PolarHBondContact NE-OD2 2.91Å; R11-D80 IonicContact NH2-OD1 2.94Å; R11-D80 PolarHBondContact NH2-OD1 3.03Å; R11-D80 IonicContact NH2-OD2 3.81Å; R11-D80 WeakPolarHBondContact O-CA 3.37Å; R11-D80 WeakPolarHBondContact O-CB 3.13Å; R11-D80 PolarHBondContact O-N 3.12Å; R11-L81 PolarHBondContact O-N 3.28Å
12V98.5Very high83Confident0 Ų064.6 Ų64.60%036%0.362CS..EExtended strand (participates in β ladder)trans-106.7108.5-177-175.70000109.3V10 T24 V28 F40 E41 V42 V43 L81 V83V10-V12 HydrophobicContact CG1-CG2 4.27Å; V12-T24 HydrophobicContact CB-CG2 4.32Å; V12-T24 HydrophobicContact CG1-CG2 3.41Å; V12-T24 VanDerWaalsContact CG1-CG2 3.41Å; V12-V28 HydrophobicContact CB-CG2 4.36Å; V12-V28 HydrophobicContact CG1-CG2 4.38Å; V12-V28 HydrophobicContact CG2-CG2 4.02Å; V12-F40 HydrophobicContact CG2-CB 4.5Å; V12-F40 HydrophobicContact CG2-CD1 4.13Å; V12-E41 PolarHBondContact N-O 2.96Å; V12-V42 CarbonylContact O-C 3.51Å; V12-V42 WeakPolarHBondContact O-CA 3.48Å; V12-V43 PolarHBondContact O-N 3.32Å; V12-L81 CarbonylContact C-O 3.56Å; V12-L81 WeakPolarHBondContact CA-O 3.31Å; V12-L81 HydrophobicContact CB-CD1 4.31Å; V12-L81 HydrophobicContact CG1-CD1 3.58Å; V12-L81 HydrophobicContact CG1-CG 4.29Å; V12-L81 HydrophobicContact CG2-CD1 4.04Å; V12-L81 HydrophobicContact CG2-CD2 4.29Å; V12-L81 HydrophobicContact CG2-CG 4.06Å; V12-V83 HydrophobicContact CG1-CG2 3.99Å
13G97Very high85.8Confident0 Ų056.2 Ų56.20%032%0.318CS..EExtended strand (participates in β ladder)trans-70.6139.517700000111.8L81G13-L81 PolarHBondContact N-O 3.5Å
14S95.2Very high88.4Confident1 Ų152.9 Ų52.91%0.00728%0.284CS..EExtended strand (participates in β ladder)trans-146.2152.7176.7-163.10000112.3A20 T24 V43 M45S14-A20 PolarHBondContact OG-O 3.42Å; S14-T24 WeakPolarHBondContact CB-OG1 3.4Å; S14-T24 PolarHBondContact OG-OG1 3.46Å; S14-V43 PolarHBondContact N-O 3.12Å; S14-M45 PolarHBondContact O-N 2.66Å
15R91.7Very high90.8Very high44 Ų4448.7 Ų48.717%0.16626%0.258CS..EExtended strand (participates in β ladder)trans-73.9145.7166.1-67.3173.157.1-173.63.2109.7S17 A20 T47 D50 F66 L70R15-S17 PolarHBondContact O-N 2.77Å; R15-A20 HydrophobicContact CB-CB 3.78Å; R15-A20 WeakPolarHBondContact O-CB 3.28Å; R15-T47 HydrophobicContact CG-CG2 3.83Å; R15-D50 IonicContact CZ-OD1 3.49Å; R15-D50 IonicContact NE-OD1 2.98Å; R15-D50 IonicContact NE-OD2 3.72Å; R15-D50 IonicContact NH2-OD1 2.66Å; R15-D50 PolarHBondContact NH2-OD1 3.46Å; R15-D50 IonicContact NH2-OD2 2.73Å; R15-F66 VanDerWaalsContact CZ-CD1 3.47Å; R15-F66 VanDerWaalsContact NH1-CD1 3.31Å; R15-F66 VanDerWaalsContact NH2-CD1 3.28Å; R15-L70 HydrophobicContact CG-CD1 3.85Å
16R89.7Confident92.8Very high151 Ų15147.4 Ų47.457%0.5724%0.242SC*.SBendtrans-61.5-12.4173.8-72-179.9-178.4-1710.2115.5N18 E44 M45R16-N18 PolarHBondContact O-N 2.78Å; R16-E44 HydrophobicContact CG-CB 3.9Å; R16-M45 PolarHBondContact N-O 3.49Å
17S88.8Confident94.3Very high25 Ų2542 Ų4218%0.17521%0.206CC..SBendtrans-62.6136.1179.278.50000110.6R15 L19 A20 L21R15-S17 PolarHBondContact O-N 2.77Å; S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.2Å; S17-L19 VanDerWaalsContact O-N 3.14Å; S17-A20 WeakPolarHBondContact O-CB 3.34Å; S17-A20 PolarHBondContact O-N 2.93Å; S17-A20 WeakPolarHBondContact OG-CB 3.48Å; S17-A20 PolarHBondContact OG-N 2.98Å; S17-L21 PolarHBondContact O-N 2.71Å
18N92Very high95.2Very high76 Ų7639.3 Ų39.341%0.40620%0.198SC..Hα-helixtrans-51.4-43.6-176-168.220000113.1R16 A20 L21 L22 M198R16-N18 PolarHBondContact O-N 2.78Å; N18-A20 PolarHBondContact O-N 3.41Å; N18-L21 PolarHBondContact O-N 3.28Å; N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 2.94Å; N18-M198 HydrophobicContact CB-CE 4.33Å; N18-M198 VanDerWaalsContact ND2-CE 3.32Å; N18-M198 WeakPolarHBondContact ND2-CE 3.34Å
19L94.2Very high95.6Very high35 Ų3539.2 Ų39.218%0.18320%0.198CC..Hα-helixtrans-61.8-42.7177.6179.765.4000112.2S17 L22 Q23 L159 R197 M198S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.2Å; S17-L19 VanDerWaalsContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 3.21Å; L19-Q23 HydrophobicContact CD1-CG 4.26Å; L19-Q23 HydrophobicContact CG-CG 4.43Å; L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 WeakPolarHBondContact O-CG 3.35Å; L19-Q23 PolarHBondContact O-N 3.19Å; L19-Q23 PolarHBondContact O-OE1 2.81Å; L19-L159 HydrophobicContact CB-CD1 4.45Å; L19-L159 HydrophobicContact CD1-CD1 4.42Å; L19-L159 HydrophobicContact CD2-CD1 3.81Å; L19-L159 HydrophobicContact CG-CD1 4.44Å; L19-R197 HydrophobicContact CD1-CB 3.76Å; L19-M198 HydrophobicContact CB-SD 4Å; L19-M198 HydrophobicContact CD1-CG 4.11Å; L19-M198 HydrophobicContact CD1-SD 4.21Å
20A93.5Very high95.6Very high11 Ų1139.7 Ų39.79%0.09120%0.198CC..Hα-helixtrans-66.7-40.9179.900000111.9S14 R15 S17 N18 Q23 T24S14-A20 PolarHBondContact OG-O 3.42Å; R15-A20 HydrophobicContact CB-CB 3.78Å; R15-A20 WeakPolarHBondContact O-CB 3.28Å; S17-A20 WeakPolarHBondContact O-CB 3.34Å; S17-A20 PolarHBondContact O-N 2.93Å; S17-A20 WeakPolarHBondContact OG-CB 3.48Å; S17-A20 PolarHBondContact OG-N 2.98Å; N18-A20 PolarHBondContact O-N 3.41Å; A20-Q23 PolarHBondContact O-N 2.85Å; A20-T24 WeakPolarHBondContact O-CB 3.46Å; A20-T24 PolarHBondContact O-N 3.22Å; A20-T24 PolarHBondContact O-OG1 3.42Å
21L96Very high95.5Very high45 Ų4539.7 Ų39.724%0.23620%0.199CC..Hα-helixtrans-61.7-45.4174.4-65.9175.4000111.5S17 N18 Q23 T24 G25 V42 E44S17-L21 PolarHBondContact O-N 2.71Å; N18-L21 PolarHBondContact O-N 3.28Å; L21-Q23 PolarHBondContact O-N 3.01Å; L21-T24 PolarHBondContact O-N 3.17Å; L21-G25 PolarHBondContact O-N 3.38Å; L21-V42 HydrophobicContact CD2-CG1 4.35Å; L21-E44 HydrophobicContact CD2-CG 3.73Å
22L97.3Very high95.4Very high70 Ų7038.5 Ų38.537%0.36620%0.197SC..Hα-helixtrans-58.7-46.8175.1-73.4168.7000111.6N18 L19 T24 G25 M26 M198N18-L22 WeakPolarHBondContact O-CG 3.49Å; N18-L22 PolarHBondContact O-N 2.94Å; L19-L22 PolarHBondContact O-N 3.21Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.12Å; L22-G25 PolarHBondContact O-N 2.94Å; L22-M26 WeakPolarHBondContact O-CG 3.34Å; L22-M26 PolarHBondContact O-N 3.24Å; L22-M198 HydrophobicContact CD1-SD 3.65Å
23Q97.1Very high95.2Very high8 Ų846.3 Ų46.34%0.03723%0.23CC..Hα-helixtrans-63.5-37.6178.1-71.2172.4-54.800112.5L19 A20 L21 M26 A27 S85 L220L19-Q23 HydrophobicContact CD1-CG 4.26Å; L19-Q23 HydrophobicContact CG-CG 4.43Å; L19-Q23 WeakPolarHBondContact O-CB 3.41Å; L19-Q23 WeakPolarHBondContact O-CG 3.35Å; L19-Q23 PolarHBondContact O-N 3.19Å; L19-Q23 PolarHBondContact O-OE1 2.81Å; A20-Q23 PolarHBondContact O-N 2.85Å; L21-Q23 PolarHBondContact O-N 3.01Å; Q23-M26 WeakPolarHBondContact O-CB 3.37Å; Q23-M26 PolarHBondContact O-N 2.98Å; Q23-A27 PolarHBondContact O-N 3.12Å; Q23-S85 PolarHBondContact NE2-OG 3.13Å; Q23-S85 PolarHBondContact OE1-OG 2.8Å; Q23-L220 HydrophobicContact CB-CD1 4.17Å; Q23-L220 HydrophobicContact CB-CD2 4.26Å; Q23-L220 HydrophobicContact CG-CD1 4.01Å; Q23-L220 HydrophobicContact CG-CD2 4.06Å
24T97.6Very high95Very high0 Ų050.9 Ų50.90%025%0.252CS..Hα-helixtrans-65.9-45.6175.5-56.10000110.7V12 S14 A20 L21 L22 M26 A27 V28 V42 V83V12-T24 HydrophobicContact CB-CG2 4.32Å; V12-T24 HydrophobicContact CG1-CG2 3.41Å; V12-T24 VanDerWaalsContact CG1-CG2 3.41Å; S14-T24 WeakPolarHBondContact CB-OG1 3.4Å; S14-T24 PolarHBondContact OG-OG1 3.46Å; A20-T24 WeakPolarHBondContact O-CB 3.46Å; A20-T24 PolarHBondContact O-N 3.22Å; A20-T24 PolarHBondContact O-OG1 3.42Å; L21-T24 PolarHBondContact O-N 3.17Å; L22-T24 VanDerWaalsContact C-N 3.31Å; L22-T24 PolarHBondContact O-N 3.12Å; T24-M26 VanDerWaalsContact C-N 3.27Å; T24-M26 PolarHBondContact O-N 2.93Å; T24-A27 PolarHBondContact O-N 2.98Å; T24-A27 VanDerWaalsContact O-N 3.11Å; T24-V28 HydrophobicContact CG2-CG2 4.41Å; T24-V28 WeakPolarHBondContact O-CG2 3.33Å; T24-V28 PolarHBondContact O-N 3.38Å; T24-V42 HydrophobicContact CG2-CG1 4.12Å; T24-V42 HydrophobicContact CG2-CG2 4.01Å; T24-V83 HydrophobicContact CG2-CG2 4.18Å
25G97.5Very high95Very high24 Ų2451.4 Ų51.425%0.24725%0.254CS..Hα-helixtrans-58.4-37.2173.600000112.7L21 L22 V28 N29L21-G25 PolarHBondContact O-N 3.38Å; L22-G25 PolarHBondContact O-N 2.94Å; G25-V28 PolarHBondContact O-N 3.01Å; G25-N29 WeakPolarHBondContact O-CB 3.38Å; G25-N29 PolarHBondContact O-N 2.85Å; G25-N29 PolarHBondContact O-ND2 2.78Å; G25-N29 VanDerWaalsContact O-ND2 3.09Å
26M97.1Very high95.1Very high82 Ų8254.1 Ų54.140%0.40428%0.278SS..Hα-helixtrans-61.1-46.3173.2-67.2176.878.300112.1L22 Q23 T24 N29 L30 R197L22-M26 WeakPolarHBondContact O-CG 3.34Å; L22-M26 PolarHBondContact O-N 3.24Å; Q23-M26 WeakPolarHBondContact O-CB 3.37Å; Q23-M26 PolarHBondContact O-N 2.98Å; T24-M26 VanDerWaalsContact C-N 3.27Å; T24-M26 PolarHBondContact O-N 2.93Å; M26-N29 PolarHBondContact O-N 3.17Å; M26-L30 WeakPolarHBondContact O-CG 3.19Å; M26-L30 PolarHBondContact O-N 3.38Å; M26-L30 VanDerWaalsContact O-N 3.16Å; M26-R197 HydrophobicContact SD-CG 4.19Å
27A96.4Very high95.3Very high1 Ų153.8 Ų53.81%0.00828%0.282CS..Hα-helixtrans-65.4-45.117800000111.7Q23 T24 N29 L30 L31 V83 F103Q23-A27 PolarHBondContact O-N 3.12Å; T24-A27 PolarHBondContact O-N 2.98Å; T24-A27 VanDerWaalsContact O-N 3.11Å; A27-N29 VanDerWaalsContact C-N 3.31Å; A27-N29 PolarHBondContact O-N 3.11Å; A27-L30 PolarHBondContact O-N 3.08Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 2.66Å; A27-V83 HydrophobicContact CB-CG1 4.17Å; A27-V83 HydrophobicContact CB-CG2 3.64Å; A27-F103 HydrophobicContact CB-CE1 4.31Å; A27-F103 HydrophobicContact CB-CZ 4.16Å
28V97.6Very high95.6Very high19 Ų1952.8 Ų52.812%0.11528%0.275CS..Hα-helixtrans-57.1-44.8175.2167.60000111V12 T24 G25 L30 L31 Q32 F40 V42V12-V28 HydrophobicContact CB-CG2 4.36Å; V12-V28 HydrophobicContact CG1-CG2 4.38Å; V12-V28 HydrophobicContact CG2-CG2 4.02Å; T24-V28 HydrophobicContact CG2-CG2 4.41Å; T24-V28 WeakPolarHBondContact O-CG2 3.33Å; T24-V28 PolarHBondContact O-N 3.38Å; G25-V28 PolarHBondContact O-N 3.01Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.27Å; V28-L31 PolarHBondContact O-N 3.45Å; V28-Q32 WeakPolarHBondContact O-CB 3.43Å; V28-Q32 PolarHBondContact O-N 3.25Å; V28-F40 HydrophobicContact CB-CB 4.45Å; V28-F40 HydrophobicContact CG1-CB 3.64Å; V28-F40 HydrophobicContact CG1-CG 4.26Å; V28-F40 HydrophobicContact CG2-CB 4.13Å; V28-V42 HydrophobicContact CG2-CG2 4.14Å
29N97.1Very high95.8Very high101 Ų10154.2 Ų54.254%0.5428%0.282SS..Hα-helixtrans-62-39.1178.2-75.1-30000112.7G25 M26 A27 K33G25-N29 WeakPolarHBondContact O-CB 3.38Å; G25-N29 PolarHBondContact O-N 2.85Å; G25-N29 PolarHBondContact O-ND2 2.78Å; G25-N29 VanDerWaalsContact O-ND2 3.09Å; M26-N29 PolarHBondContact O-N 3.17Å; A27-N29 VanDerWaalsContact C-N 3.31Å; A27-N29 PolarHBondContact O-N 3.11Å; N29-K33 VanDerWaalsContact O-CG 3.27Å; N29-K33 WeakPolarHBondContact O-CG 3.49Å; N29-K33 PolarHBondContact O-N 3.17Å
30L96.5Very high96Very high57 Ų5753.4 Ų53.430%0.29828%0.277SS..Hα-helixtrans-67.2-46176-68.7171.3000111.1M26 A27 V28 K33 Q34 F103 I238M26-L30 WeakPolarHBondContact O-CG 3.19Å; M26-L30 PolarHBondContact O-N 3.38Å; M26-L30 VanDerWaalsContact O-N 3.16Å; A27-L30 PolarHBondContact O-N 3.08Å; V28-L30 VanDerWaalsContact C-N 3.33Å; V28-L30 PolarHBondContact O-N 3.27Å; L30-K33 PolarHBondContact O-N 2.86Å; L30-Q34 PolarHBondContact O-N 3.17Å; L30-F103 HydrophobicContact CD1-CD2 4.5Å; L30-I238 HydrophobicContact CB-CB 4.36Å; L30-I238 HydrophobicContact CB-CG2 3.62Å
31L96.4Very high96.2Very high1 Ų157.8 Ų57.81%0.00530%0.296CS..Hα-helixtrans-64.4-43.1178.5-69.2168000112A27 V28 K33 Q34 N35 F40 L81 L234 L235 I238A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 2.66Å; V28-L31 PolarHBondContact O-N 3.45Å; L31-K33 PolarHBondContact O-N 3.08Å; L31-Q34 PolarHBondContact O-N 2.88Å; L31-N35 WeakPolarHBondContact O-CB 3.38Å; L31-N35 PolarHBondContact O-N 3.41Å; L31-N35 PolarHBondContact O-ND2 3.03Å; L31-F40 HydrophobicContact CB-CD1 4.42Å; L31-F40 HydrophobicContact CB-CE1 3.76Å; L31-F40 HydrophobicContact CB-CE2 3.99Å; L31-F40 HydrophobicContact CB-CZ 3.53Å; L31-F40 HydrophobicContact CD1-CD1 4.31Å; L31-F40 HydrophobicContact CD1-CE1 3.87Å; L31-F40 HydrophobicContact CD1-CZ 4.48Å; L31-F40 HydrophobicContact CG-CE1 4.36Å; L31-F40 HydrophobicContact CG-CZ 4.5Å; L31-L81 HydrophobicContact CD1-CD2 4.27Å; L31-L234 WeakPolarHBondContact CD2-O 3.41Å; L31-L235 HydrophobicContact CD1-CD2 4.38Å; L31-L235 HydrophobicContact CD2-CD2 4.35Å; L31-I238 HydrophobicContact CD1-CD1 4.36Å; L31-I238 HydrophobicContact CD2-CD1 3.86Å; L31-I238 HydrophobicContact CD2-CG1 3.97Å; L31-I238 HydrophobicContact CD2-CG2 3.9Å; L31-I238 HydrophobicContact CG-CD1 3.92Å; L31-I238 HydrophobicContact CG-CG2 4.25Å
32Q95.8Very high96.3Very high58 Ų5858.4 Ų58.427%0.27130%0.301SS..Hα-helixtrans-63.8-39.5-180-173.670.376.500112.1V28 Q34 N35 P36 I38 F40V28-Q32 WeakPolarHBondContact O-CB 3.43Å; V28-Q32 PolarHBondContact O-N 3.25Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.47Å; Q32-N35 PolarHBondContact NE2-O 2.8Å; Q32-N35 CarbonylContact O-C 3.58Å; Q32-N35 VanDerWaalsContact O-C 3.23Å; Q32-N35 PolarHBondContact O-N 2.88Å; Q32-P36 WeakPolarHBondContact O-CA 3.47Å; Q32-I38 PolarHBondContact NE2-O 2.81Å; Q32-I38 PolarHBondContact OE1-O 2.83Å; Q32-F40 HydrophobicContact CB-CD2 4.22Å; Q32-F40 HydrophobicContact CB-CE2 4.38Å
33K95.7Very high96.3Very high164 Ų16456.5 Ų56.571%0.71329%0.292SS*.Hα-helixtrans-61.1-40.6176.6-79.7176.4179.8-174.50112.2N29 L30 L31N29-K33 VanDerWaalsContact O-CG 3.27Å; N29-K33 WeakPolarHBondContact O-CG 3.49Å; N29-K33 PolarHBondContact O-N 3.17Å; L30-K33 PolarHBondContact O-N 2.86Å; L31-K33 PolarHBondContact O-N 3.08Å
34Q92.4Very high96.2Very high96 Ų9660.9 Ų60.945%0.44931%0.313SS..Hα-helixtrans-82.2-22178.8-61.4-60.5-1900112.6L30 L31 Q32 H237 C314L30-Q34 PolarHBondContact O-N 3.17Å; L31-Q34 PolarHBondContact O-N 2.88Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 3.47Å; Q34-H237 HydrophobicContact CB-CB 4.32Å; Q34-H237 HydrophobicContact CG-CB 4.38Å; Q34-C314 PolarHBondContact NE2-SG 3.06Å; Q34-C314 VanDerWaalsContact NE2-SG 3.42Å
35N94Very high95.8Very high11 Ų1162 Ų626%0.05932%0.318CS..  trans-132.769.6-176.6-49.6-82.5000112L31 Q32 H37 I38 L234L31-N35 WeakPolarHBondContact O-CB 3.38Å; L31-N35 PolarHBondContact O-N 3.41Å; L31-N35 PolarHBondContact O-ND2 3.03Å; Q32-N35 PolarHBondContact NE2-O 2.8Å; Q32-N35 CarbonylContact O-C 3.58Å; Q32-N35 VanDerWaalsContact O-C 3.23Å; Q32-N35 PolarHBondContact O-N 2.88Å; N35-H37 PolarHBondContact O-N 2.74Å; N35-I38 HydrophobicContact CB-CB 4.41Å; N35-I38 HydrophobicContact CB-CD1 3.87Å; N35-I38 HydrophobicContact CB-CG1 4.21Å; N35-I38 PolarHBondContact O-N 2.9Å; N35-L234 HydrophobicContact CB-CD2 4.2Å; N35-L234 WeakPolarHBondContact OD1-CD2 3.27Å
36P93.9Very high95Very high101 Ų10162.9 Ų62.966%0.65632%0.324SS*.THydrogen-bonded Turntrans-63.7-17.8-172.4-24.735.7000115.5Q32Q32-P36 WeakPolarHBondContact O-CA 3.47Å
37H93.8Very high93.9Very high145 Ų14559 Ų5967%0.67131%0.305SS*.THydrogen-bonded Turntrans-90.1-5.5-177.159.1-80.9000113.4N35N35-H37 PolarHBondContact O-N 2.74Å
38I96.1Very high92.7Very high4 Ų462 Ų622%0.02132%0.323CS..SBendtrans-101.5132.4178.3-59.5179.3000108.6V10 Q32 N35 F40 F230 L234V10-I38 HydrophobicContact CB-CG2 4.18Å; V10-I38 HydrophobicContact CG2-CG2 3.65Å; Q32-I38 PolarHBondContact NE2-O 2.81Å; Q32-I38 PolarHBondContact OE1-O 2.83Å; N35-I38 HydrophobicContact CB-CB 4.41Å; N35-I38 HydrophobicContact CB-CD1 3.87Å; N35-I38 HydrophobicContact CB-CG1 4.21Å; N35-I38 PolarHBondContact O-N 2.9Å; I38-F40 HydrophobicContact CB-CE2 3.84Å; I38-F40 HydrophobicContact CB-CZ 4.06Å; I38-F40 HydrophobicContact CG2-CD2 4.21Å; I38-F40 HydrophobicContact CG2-CE1 4.14Å; I38-F40 HydrophobicContact CG2-CE2 3.74Å; I38-F40 HydrophobicContact CG2-CZ 3.69Å; I38-F230 HydrophobicContact CD1-CE2 4.46Å; I38-F230 HydrophobicContact CD1-CZ 3.78Å; I38-L234 HydrophobicContact CD1-CD1 3.79Å; I38-L234 HydrophobicContact CD1-CD2 3.52Å; I38-L234 HydrophobicContact CD1-CG 4.29Å
39L96.5Very high91.2Very high106 Ų10661.5 Ų61.556%0.55532%0.321SS*.EExtended strand (participates in β ladder)trans-87.4123.3168.9178.965.2000109.4N8 V9 V10N8-L39 WeakPolarHBondContact O-CB 3.35Å; N8-L39 PolarHBondContact O-N 3.4Å; V9-L39 CarbonylContact C-O 3.57Å; V9-L39 VanDerWaalsContact CA-O 3.31Å; V9-L39 WeakPolarHBondContact CA-O 3.33Å; V9-L39 HydrophobicContact CG2-CB 4.39Å; V9-L39 HydrophobicContact CG2-CD2 4.3Å; V10-L39 PolarHBondContact N-O 3.34Å
40F97.9Very high89.7Confident17 Ų1759.3 Ų59.38%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-100.3116.2173.9-65.5-88.8000110.1V10 V12 V28 L31 Q32 I38V10-F40 HydrophobicContact CB-CD1 3.73Å; V10-F40 HydrophobicContact CB-CE1 3.83Å; V10-F40 HydrophobicContact CG1-CD1 3.84Å; V10-F40 HydrophobicContact CG1-CE1 3.91Å; V10-F40 HydrophobicContact CG2-CE1 4.18Å; V10-F40 CarbonylContact O-C 3.59Å; V10-F40 WeakPolarHBondContact O-CA 3.46Å; V12-F40 HydrophobicContact CG2-CB 4.5Å; V12-F40 HydrophobicContact CG2-CD1 4.13Å; V28-F40 HydrophobicContact CB-CB 4.45Å; V28-F40 HydrophobicContact CG1-CB 3.64Å; V28-F40 HydrophobicContact CG1-CG 4.26Å; V28-F40 HydrophobicContact CG2-CB 4.13Å; L31-F40 HydrophobicContact CB-CD1 4.42Å; L31-F40 HydrophobicContact CB-CE1 3.76Å; L31-F40 HydrophobicContact CB-CE2 3.99Å; L31-F40 HydrophobicContact CB-CZ 3.53Å; L31-F40 HydrophobicContact CD1-CD1 4.31Å; L31-F40 HydrophobicContact CD1-CE1 3.87Å; L31-F40 HydrophobicContact CD1-CZ 4.48Å; L31-F40 HydrophobicContact CG-CE1 4.36Å; L31-F40 HydrophobicContact CG-CZ 4.5Å; Q32-F40 HydrophobicContact CB-CD2 4.22Å; Q32-F40 HydrophobicContact CB-CE2 4.38Å; I38-F40 HydrophobicContact CB-CE2 3.84Å; I38-F40 HydrophobicContact CB-CZ 4.06Å; I38-F40 HydrophobicContact CG2-CD2 4.21Å; I38-F40 HydrophobicContact CG2-CE1 4.14Å; I38-F40 HydrophobicContact CG2-CE2 3.74Å; I38-F40 HydrophobicContact CG2-CZ 3.69Å
41E97.6Very high88.3Confident103 Ų10364 Ų6448%0.48133%0.327SS..EExtended strand (participates in β ladder)trans-103.2119.9-180-176.8-177.9174.300109.9V9 V10 R11 V12V9-E41 HydrophobicContact CG1-CB 4.42Å; V10-E41 PolarHBondContact O-N 3.31Å; R11-E41 CarbonylContact C-O 3.51Å; R11-E41 WeakPolarHBondContact CA-O 3.49Å; V12-E41 PolarHBondContact N-O 2.96Å
42V97.9Very high86.9Confident59 Ų5966.6 Ų66.636%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-82.9121.1176.81790000110V12 L21 T24 V28V12-V42 CarbonylContact O-C 3.51Å; V12-V42 WeakPolarHBondContact O-CA 3.48Å; L21-V42 HydrophobicContact CD2-CG1 4.35Å; T24-V42 HydrophobicContact CG2-CG1 4.12Å; T24-V42 HydrophobicContact CG2-CG2 4.01Å; V28-V42 HydrophobicContact CG2-CG2 4.14Å
43V96.9Very high85.5Confident29 Ų2968 Ų6818%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-102.6110177-177.30000109R11 V12 S14 M45 V79R11-V43 HydrophobicContact CB-CG2 4.02Å; R11-V43 HydrophobicContact CG-CG2 4.33Å; V12-V43 PolarHBondContact O-N 3.32Å; S14-V43 PolarHBondContact N-O 3.12Å; V43-M45 HydrophobicContact CG1-CG 4.43Å; V43-V79 HydrophobicContact CB-CG1 3.76Å; V43-V79 HydrophobicContact CG1-CG1 4Å; V43-V79 HydrophobicContact CG2-CG1 4.07Å
44E94.8Very high83.6Confident100 Ų10067.6 Ų67.647%0.46736%0.355SS..EExtended strand (participates in β ladder)trans-85.2122.2-177.2-57.7-168.2-161.600113.2R16 L21R16-E44 HydrophobicContact CG-CB 3.9Å; L21-E44 HydrophobicContact CD2-CG 3.73Å
45M90.2Very high82.1Confident23 Ų2366 Ų6611%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-117.4144.3-175-48.8-168.874.800111.2S14 R16 V43 L70 A73 V79S14-M45 PolarHBondContact O-N 2.66Å; R16-M45 PolarHBondContact N-O 3.49Å; V43-M45 HydrophobicContact CG1-CG 4.43Å; M45-L70 HydrophobicContact CB-CD2 4.15Å; M45-L70 HydrophobicContact CG-CD2 4.17Å; M45-L70 HydrophobicContact SD-CD2 3.74Å; M45-A73 HydrophobicContact CE-CB 3.44Å; M45-A73 VanDerWaalsContact CE-CB 3.44Å; M45-A73 HydrophobicContact SD-CB 3.52Å; M45-A73 VanDerWaalsContact SD-CB 3.52Å; M45-V79 HydrophobicContact SD-CG1 4.37Å
46A80Confident80.5Confident44 Ų4467.7 Ų67.736%0.36437%0.365SS..  trans-95.8128.7172.900000109.6
47T74.1Confident78.9Confident1 Ų166.1 Ų66.11%0.00635%0.35CS..  trans-104155.4177.461.70000111.3R15 G49 D50 E69R15-T47 HydrophobicContact CG-CG2 3.83Å; T47-G49 PolarHBondContact O-N 3.04Å; T47-D50 PolarHBondContact N-OD2 3.49Å; T47-D50 WeakPolarHBondContact O-CB 3.36Å; T47-D50 PolarHBondContact O-N 2.86Å; T47-D50 VanDerWaalsContact O-N 3.12Å; T47-D50 VanDerWaalsContact OG1-CG 3.26Å; T47-D50 PolarHBondContact OG1-N 3.44Å; T47-D50 PolarHBondContact OG1-OD2 3.42Å; T47-E69 WeakPolarHBondContact CB-OE2 3.36Å; T47-E69 HydrophobicContact CG2-CB 4.39Å
48V71.4Confident77.3Confident63 Ų6362.1 Ų62.138%0.38234%0.339SS..Hα-helixtrans-57.4-38.2173167.80000111.3D50 K51 I52 L65 E69V48-D50 PolarHBondContact O-N 3.43Å; V48-K51 WeakPolarHBondContact O-CA 3.4Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.87Å; V48-I52 HydrophobicContact CG1-CD1 3.43Å; V48-I52 VanDerWaalsContact CG1-CD1 3.43Å; V48-I52 HydrophobicContact CG1-CG1 3.97Å; V48-I52 PolarHBondContact O-N 3.05Å; V48-I52 VanDerWaalsContact O-N 3.11Å; V48-L65 HydrophobicContact CB-CD1 4.48Å; V48-L65 HydrophobicContact CG1-CD1 3.91Å; V48-E69 WeakPolarHBondContact CB-OE1 3.46Å; V48-E69 WeakPolarHBondContact CG2-OE1 3.2Å; V48-E69 PolarHBondContact N-OE1 2.92Å
49G65.8Low75.4Confident8 Ų870.2 Ų70.28%0.08237%0.374CS..Hα-helixtrans-61-23.517700000115T47 K51 L65T47-G49 PolarHBondContact O-N 3.04Å; G49-K51 VanDerWaalsContact C-N 3.32Å; G49-L65 PolarHBondContact N-O 2.96Å
50D65.5Low73.6Confident55 Ų5567.3 Ų67.329%0.29436%0.358SS..Hα-helixtrans-76.3-21.4172.7-67.4-43.4000112.5R15 T47 V48R15-D50 IonicContact CZ-OD1 3.49Å; R15-D50 IonicContact NE-OD1 2.98Å; R15-D50 IonicContact NE-OD2 3.72Å; R15-D50 IonicContact NH2-OD1 2.66Å; R15-D50 PolarHBondContact NH2-OD1 3.46Å; R15-D50 IonicContact NH2-OD2 2.73Å; T47-D50 PolarHBondContact N-OD2 3.49Å; T47-D50 WeakPolarHBondContact O-CB 3.36Å; T47-D50 PolarHBondContact O-N 2.86Å; T47-D50 VanDerWaalsContact O-N 3.12Å; T47-D50 VanDerWaalsContact OG1-CG 3.26Å; T47-D50 PolarHBondContact OG1-N 3.44Å; T47-D50 PolarHBondContact OG1-OD2 3.42Å; V48-D50 PolarHBondContact O-N 3.43Å
51K67.9Low71.5Confident156 Ų15669.6 Ų69.668%0.67839%0.387SS*.Hα-helixtrans-94.4-30.1-177.7-60.8177.6-177.1174.70113.1V48 G49 L53V48-K51 WeakPolarHBondContact O-CA 3.4Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.87Å; G49-K51 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 3.08Å
52I67.7Low69.5Low55 Ų5568.5 Ų68.528%0.28238%0.384SS..  trans-90.794.2-177.2-56.1179.4000111V48 V55 I60 L65 R156V48-I52 HydrophobicContact CG1-CD1 3.43Å; V48-I52 VanDerWaalsContact CG1-CD1 3.43Å; V48-I52 HydrophobicContact CG1-CG1 3.97Å; V48-I52 PolarHBondContact O-N 3.05Å; V48-I52 VanDerWaalsContact O-N 3.11Å; I52-V55 HydrophobicContact CG2-CB 4.19Å; I52-V55 HydrophobicContact CG2-CG2 4.22Å; I52-I60 HydrophobicContact CG2-CD1 3.88Å; I52-L65 HydrophobicContact CD1-CD1 4.43Å; I52-R156 PolarHBondContact O-NH2 3.25Å
53L64.7Low67.7Low87 Ų8772 Ų7246%0.45540%0.395SS..  trans-94.7-23.6178-63.9178.1000113.6K51 R156K51-L53 PolarHBondContact O-N 3.08Å; L53-R156 PolarHBondContact O-NE 3.21Å
54D57.6Low66.1Low157 Ų15772.1 Ų72.184%0.8440%0.396SS*.SBendtrans-91.3-14.2-159-39.2-27.3000113.4
55V60.5Low65Low63 Ų6367.8 Ų67.838%0.38238%0.377SS..SBendtrans-108.5139-177.4-171.10000110.3I52 K59 I60 R156I52-V55 HydrophobicContact CG2-CB 4.19Å; I52-V55 HydrophobicContact CG2-CG2 4.22Å; V55-K59 HydrophobicContact CG1-CB 4.11Å; V55-I60 HydrophobicContact CB-CD1 4.06Å; V55-I60 HydrophobicContact CB-CG1 3.96Å; V55-I60 HydrophobicContact CG1-CD1 4.31Å; V55-I60 HydrophobicContact CG1-CG1 3.67Å; V55-R156 PolarHBondContact O-NH2 3.34Å
56S60.4Low64.2Low46 Ų4669 Ų6932%0.32238%0.382SS..  trans-61.7134.5172.3-177.30000110.5S58 K59 I60S56-S58 PolarHBondContact O-N 2.92Å; S56-S58 PolarHBondContact OG-N 2.87Å; S56-S58 PolarHBondContact OG-OG 2.79Å; S56-K59 WeakPolarHBondContact O-CB 3.35Å; S56-K59 PolarHBondContact O-N 3.42Å; S56-I60 PolarHBondContact O-N 2.77Å
57L60.8Low64.5Low67 Ų6767 Ų6735%0.35137%0.365SS..Hα-helixtrans-57-34.2176.5-76164.4000112.5K59 I60 L65 F66L57-K59 PolarHBondContact O-N 2.89Å; L57-I60 HydrophobicContact CD2-CD1 4.43Å; L57-I60 PolarHBondContact O-N 3.06Å; L57-L65 HydrophobicContact CD2-CD2 3.58Å; L57-F66 HydrophobicContact CD2-CE2 3.89Å; L57-F66 HydrophobicContact CD2-CZ 3.85Å
58S59.1Low65.2Low62 Ų6272.3 Ų72.343%0.43439%0.387SS..Hα-helixtrans-60.9-25.817657.70000113.2S56S56-S58 PolarHBondContact O-N 2.92Å; S56-S58 PolarHBondContact OG-N 2.87Å; S56-S58 PolarHBondContact OG-OG 2.79Å
59K57.1Low66.1Low173 Ų17371.4 Ų71.475%0.75238%0.379SS*.Hα-helixtrans-93.2-23179.8-65.9-167.9174.6-165.40113.8V55 S56 L57 G61V55-K59 HydrophobicContact CG1-CB 4.11Å; S56-K59 WeakPolarHBondContact O-CB 3.35Å; S56-K59 PolarHBondContact O-N 3.42Å; L57-K59 PolarHBondContact O-N 2.89Å; K59-G61 VanDerWaalsContact C-N 3.32Å
60I57.6Low67.4Low45 Ų4571.1 Ų71.123%0.23138%0.376CS..Hα-helixtrans-72.3-31.6179.7-61.3170.5000110.2I52 V55 S56 L57 D62 L65I52-I60 HydrophobicContact CG2-CD1 3.88Å; V55-I60 HydrophobicContact CB-CD1 4.06Å; V55-I60 HydrophobicContact CB-CG1 3.96Å; V55-I60 HydrophobicContact CG1-CD1 4.31Å; V55-I60 HydrophobicContact CG1-CG1 3.67Å; S56-I60 PolarHBondContact O-N 2.77Å; L57-I60 HydrophobicContact CD2-CD1 4.43Å; L57-I60 PolarHBondContact O-N 3.06Å; I60-D62 HydrophobicContact CG2-CB 4.09Å; I60-D62 PolarHBondContact O-N 2.79Å; I60-L65 HydrophobicContact CD1-CD2 3.83Å; I60-L65 HydrophobicContact CG2-CD1 4.09Å; I60-L65 HydrophobicContact CG2-CD2 4.09Å
61G53.9Low68.8Low65 Ų6569.1 Ų69.167%0.6737%0.365SS*.  trans66.5-13.7173.700000115.7K59 K63K59-G61 VanDerWaalsContact C-N 3.32Å; G61-K63 PolarHBondContact O-N 2.65Å; G61-K63 VanDerWaalsContact O-N 3.15Å
62D56.1Low70.1Confident80 Ų8065.9 Ų65.943%0.42836%0.355SS..  trans-76.7104.4-176.2-163.8-12.3000110.9I60 S64 L65I60-D62 HydrophobicContact CG2-CB 4.09Å; I60-D62 PolarHBondContact O-N 2.79Å; D62-S64 PolarHBondContact O-N 3.45Å; D62-S64 VanDerWaalsContact O-N 3.09Å; D62-S64 PolarHBondContact OD1-N 2.79Å; D62-L65 HydrophobicContact CB-CB 4.37Å; D62-L65 PolarHBondContact O-N 3.09Å
63K59.4Low71.4Confident134 Ų13463.3 Ų63.358%0.58334%0.342SS*.THydrogen-bonded Turntrans-56.7-20.6174.9-70.2-178.7178.8179.10111.6G61 P90 D258G61-K63 PolarHBondContact O-N 2.65Å; G61-K63 VanDerWaalsContact O-N 3.15Å; K63-P90 HydrophobicContact CB-CG 4.41Å; K63-P90 WeakPolarHBondContact O-CG 3.38Å; K63-D258 IonicContact NZ-OD1 3.92Å
64S64.1Low73Confident30 Ų3059.2 Ų59.221%0.2132%0.32CS..THydrogen-bonded Turntrans-110.514.1-174.4-60.30000114.4D62 F66 T67 K68D62-S64 PolarHBondContact O-N 3.45Å; D62-S64 VanDerWaalsContact O-N 3.09Å; D62-S64 PolarHBondContact OD1-N 2.79Å; S64-F66 PolarHBondContact O-N 3.37Å; S64-T67 PolarHBondContact O-N 3.1Å; S64-T67 VanDerWaalsContact O-N 3.09Å; S64-K68 WeakPolarHBondContact O-CB 3.27Å; S64-K68 PolarHBondContact O-N 3.15Å; S64-K68 VanDerWaalsContact O-N 3.08Å
65L71.8Confident74.9Confident10 Ų1056.1 Ų56.15%0.05230%0.303CS..THydrogen-bonded Turntrans-53-25.4-176.6-173.666000114.5V48 G49 I52 L57 I60 D62V48-L65 HydrophobicContact CB-CD1 4.48Å; V48-L65 HydrophobicContact CG1-CD1 3.91Å; G49-L65 PolarHBondContact N-O 2.96Å; I52-L65 HydrophobicContact CD1-CD1 4.43Å; L57-L65 HydrophobicContact CD2-CD2 3.58Å; I60-L65 HydrophobicContact CD1-CD2 3.83Å; I60-L65 HydrophobicContact CG2-CD1 4.09Å; I60-L65 HydrophobicContact CG2-CD2 4.09Å; D62-L65 HydrophobicContact CB-CB 4.37Å; D62-L65 PolarHBondContact O-N 3.09Å
66F73.9Confident76.6Confident49 Ų4957.2 Ų57.222%0.21531%0.314CS..THydrogen-bonded Turntrans-113.4-6.4-176.9-60.2-61.7000114.7R15 L57 S64R15-F66 VanDerWaalsContact CZ-CD1 3.47Å; R15-F66 VanDerWaalsContact NH1-CD1 3.31Å; R15-F66 VanDerWaalsContact NH2-CD1 3.28Å; L57-F66 HydrophobicContact CD2-CE2 3.89Å; L57-F66 HydrophobicContact CD2-CZ 3.85Å; S64-F66 PolarHBondContact O-N 3.37Å
67T85.3Confident78.3Confident2 Ų256.3 Ų56.31%0.01231%0.311CS..THydrogen-bonded Turntrans-116.8-26.8-173.362.50000112.9S64 E69 L70 E71S64-T67 PolarHBondContact O-N 3.1Å; S64-T67 VanDerWaalsContact O-N 3.09Å; T67-E69 PolarHBondContact O-N 3.5Å; T67-L70 WeakPolarHBondContact O-CB 3.41Å; T67-L70 PolarHBondContact O-N 3.27Å; T67-E71 WeakPolarHBondContact CB-OE1 3.4Å; T67-E71 WeakPolarHBondContact O-CG 3.2Å; T67-E71 PolarHBondContact O-N 2.96Å; T67-E71 PolarHBondContact OG1-OE1 3.4Å
68K88.4Confident80Confident111 Ų11157.6 Ų57.648%0.48332%0.316SS..Hα-helixtrans-54.9-46-170.1-171.6174.4-176.7175.70115S64 L70 E71 N72S64-K68 WeakPolarHBondContact O-CB 3.27Å; S64-K68 PolarHBondContact O-N 3.15Å; S64-K68 VanDerWaalsContact O-N 3.08Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.39Å; K68-E71 PolarHBondContact O-N 3.36Å; K68-N72 VanDerWaalsContact O-CG 3.28Å; K68-N72 PolarHBondContact O-N 2.97Å; K68-N72 PolarHBondContact O-ND2 3.2Å
69E90.6Very high81.8Confident45 Ų4554.7 Ų54.721%0.2130%0.295CS..Hα-helixtrans-68.3-34.6-179.8-63.183.6173.700112.3T47 V48 T67 A73T47-E69 WeakPolarHBondContact CB-OE2 3.36Å; T47-E69 HydrophobicContact CG2-CB 4.39Å; V48-E69 WeakPolarHBondContact CB-OE1 3.46Å; V48-E69 WeakPolarHBondContact CG2-OE1 3.2Å; V48-E69 PolarHBondContact N-OE1 2.92Å; T67-E69 PolarHBondContact O-N 3.5Å; E69-A73 PolarHBondContact O-N 3.46Å; E69-A73 VanDerWaalsContact O-N 3.12Å
70L93.5Very high83.8Confident2 Ų246.6 Ų46.61%0.0126%0.26CS..Hα-helixtrans-70.8-40.9176.5-67.6164.3000111.3R15 M45 T67 K68 N72 A73 L74 V82R15-L70 HydrophobicContact CG-CD1 3.85Å; M45-L70 HydrophobicContact CB-CD2 4.15Å; M45-L70 HydrophobicContact CG-CD2 4.17Å; M45-L70 HydrophobicContact SD-CD2 3.74Å; T67-L70 WeakPolarHBondContact O-CB 3.41Å; T67-L70 PolarHBondContact O-N 3.27Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.39Å; L70-N72 VanDerWaalsContact C-N 3.34Å; L70-N72 PolarHBondContact O-N 3.06Å; L70-A73 WeakPolarHBondContact O-CB 3.49Å; L70-A73 PolarHBondContact O-N 3.29Å; L70-A73 VanDerWaalsContact O-N 3.17Å; L70-L74 PolarHBondContact O-N 2.78Å; L70-V82 HydrophobicContact CB-CG1 3.94Å; L70-V82 HydrophobicContact CB-CG2 4.08Å; L70-V82 HydrophobicContact CD1-CG1 3.76Å; L70-V82 HydrophobicContact CD2-CG1 3.85Å; L70-V82 HydrophobicContact CD2-CG2 4.25Å; L70-V82 HydrophobicContact CG-CG1 4.06Å
71E95.1Very high85.7Confident12 Ų1244.5 Ų44.56%0.05625%0.249CC..Hα-helixtrans-60.8-42.7174-71165.3-171.700111T67 K68 A73 L74 L75 P94 L97T67-E71 WeakPolarHBondContact CB-OE1 3.4Å; T67-E71 WeakPolarHBondContact O-CG 3.2Å; T67-E71 PolarHBondContact O-N 2.96Å; T67-E71 PolarHBondContact OG1-OE1 3.4Å; K68-E71 PolarHBondContact O-N 3.36Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 2.84Å; E71-L74 WeakPolarHBondContact O-CB 3.44Å; E71-L74 PolarHBondContact O-N 3.47Å; E71-L75 WeakPolarHBondContact O-CG 3.44Å; E71-L75 PolarHBondContact O-N 2.87Å; E71-P94 HydrophobicContact CB-CG 4.3Å; E71-P94 HydrophobicContact CG-CG 4.1Å; E71-P94 VanDerWaalsContact OE2-CG 3.31Å; E71-P94 WeakPolarHBondContact OE2-CG 3.16Å; E71-L97 HydrophobicContact CB-CD1 3.78Å; E71-L97 HydrophobicContact CG-CD1 3.92Å
72N94.5Very high87.8Confident89 Ų8941.4 Ų41.448%0.47622%0.218SC..Hα-helixtrans-62.6-37.4174.1-72.1-22.8000112.4K68 L70 L74 L75 S76K68-N72 VanDerWaalsContact O-CG 3.28Å; K68-N72 PolarHBondContact O-N 2.97Å; K68-N72 PolarHBondContact O-ND2 3.2Å; L70-N72 VanDerWaalsContact C-N 3.34Å; L70-N72 PolarHBondContact O-N 3.06Å; N72-L74 VanDerWaalsContact C-N 3.34Å; N72-L75 PolarHBondContact O-N 3.27Å; N72-S76 WeakPolarHBondContact O-CB 3.27Å; N72-S76 PolarHBondContact O-N 2.86Å; N72-S76 PolarHBondContact O-OG 3.17Å
73A95.9Very high89.8Confident1 Ų138 Ų381%0.00820%0.2CC..Hα-helixtrans-66.1-37.5176.300000111.9M45 E69 L70 E71 S76 G77 E78 V79M45-A73 HydrophobicContact CE-CB 3.44Å; M45-A73 VanDerWaalsContact CE-CB 3.44Å; M45-A73 HydrophobicContact SD-CB 3.52Å; M45-A73 VanDerWaalsContact SD-CB 3.52Å; E69-A73 PolarHBondContact O-N 3.46Å; E69-A73 VanDerWaalsContact O-N 3.12Å; L70-A73 WeakPolarHBondContact O-CB 3.49Å; L70-A73 PolarHBondContact O-N 3.29Å; L70-A73 VanDerWaalsContact O-N 3.17Å; E71-A73 VanDerWaalsContact C-N 3.31Å; E71-A73 PolarHBondContact O-N 2.84Å; A73-S76 WeakPolarHBondContact CA-OG 3.34Å; A73-S76 PolarHBondContact O-OG 2.79Å; A73-G77 PolarHBondContact O-N 2.95Å; A73-E78 HydrophobicContact CB-CB 4.21Å; A73-E78 PolarHBondContact O-N 3.38Å; A73-V79 HydrophobicContact CB-CG1 4.34Å; A73-V79 HydrophobicContact CB-CG2 3.64Å; A73-V79 PolarHBondContact O-N 3.24Å
74L97.7Very high91.5Very high0 Ų032.3 Ų32.30%018%0.175CC..Hα-helixtrans-65.6-45.9172.6-74.7171.2000111.7L70 E71 N72 G77 V79 V82 L97 E223 R225L70-L74 PolarHBondContact O-N 2.78Å; E71-L74 WeakPolarHBondContact O-CB 3.44Å; E71-L74 PolarHBondContact O-N 3.47Å; N72-L74 VanDerWaalsContact C-N 3.34Å; L74-G77 PolarHBondContact O-N 3.28Å; L74-V79 HydrophobicContact CD2-CG2 3.96Å; L74-V79 HydrophobicContact CG-CG2 4.1Å; L74-V82 HydrophobicContact CD1-CB 4.22Å; L74-V82 HydrophobicContact CD1-CG2 3.77Å; L74-V82 HydrophobicContact CD2-CG2 3.99Å; L74-V82 HydrophobicContact CG-CG2 3.69Å; L74-L97 HydrophobicContact CB-CD1 4.33Å; L74-L97 HydrophobicContact CB-CD2 3.75Å; L74-L97 HydrophobicContact CD1-CD1 4.31Å; L74-L97 HydrophobicContact CD1-CD2 4.29Å; L74-E223 HydrophobicContact CD1-CB 4.02Å; L74-E223 HydrophobicContact CD1-CG 3.72Å; L74-R225 WeakPolarHBondContact O-CD 3.34Å; L74-R225 PolarHBondContact O-NH1 3.29Å
75L96.8Very high93Very high93 Ų9331.7 Ų31.749%0.48717%0.171SC..Hα-helixtrans-68.1-37.1-178.1-71170.1000112.8E71 N72 G77 L97E71-L75 WeakPolarHBondContact O-CG 3.44Å; E71-L75 PolarHBondContact O-N 2.87Å; N72-L75 PolarHBondContact O-N 3.27Å; L75-G77 VanDerWaalsContact C-N 3.28Å; L75-L97 HydrophobicContact CD1-CD1 4.46Å; L75-L97 HydrophobicContact CD2-CD1 4.4Å; L75-L97 HydrophobicContact CD2-CD2 3.87Å; L75-L97 HydrophobicContact CD2-CG 3.97Å; L75-L97 HydrophobicContact CG-CD1 4.11Å; L75-L97 HydrophobicContact CG-CD2 4.15Å; L75-L97 HydrophobicContact CG-CG 4.22Å
76S96.4Very high94.1Very high85 Ų8531.2 Ų31.259%0.59417%0.169SC*.Hα-helixtrans-77.3-13176.1590000113.7N72 A73 E78N72-S76 WeakPolarHBondContact O-CB 3.27Å; N72-S76 PolarHBondContact O-N 2.86Å; N72-S76 PolarHBondContact O-OG 3.17Å; A73-S76 WeakPolarHBondContact CA-OG 3.34Å; A73-S76 PolarHBondContact O-OG 2.79Å; S76-E78 VanDerWaalsContact C-N 3.3Å
77G95.9Very high95Very high27 Ų2732.3 Ų32.328%0.27817%0.173SC..THydrogen-bonded Turntrans72.821.2-174.200000113.4R11 A73 L74 L75 V79R11-G77 VanDerWaalsContact CZ-O 3.23Å; R11-G77 PolarHBondContact NH1-O 3.15Å; R11-G77 PolarHBondContact NH2-O 3.22Å; A73-G77 PolarHBondContact O-N 2.95Å; L74-G77 PolarHBondContact O-N 3.28Å; L75-G77 VanDerWaalsContact C-N 3.28Å; G77-V79 VanDerWaalsContact C-N 3.34Å
78E96.6Very high95.2Very high95 Ų9535.2 Ų35.244%0.44419%0.189SC..SBendtrans-67.3-38169.1-176.5-178.2164.700111R11 A73 S76R11-E78 WeakPolarHBondContact CD-O 3.42Å; R11-E78 PolarHBondContact NE-O 3.19Å; R11-E78 PolarHBondContact NH1-O 2.9Å; A73-E78 HydrophobicContact CB-CB 4.21Å; A73-E78 PolarHBondContact O-N 3.38Å; S76-E78 VanDerWaalsContact C-N 3.3Å
79V98.1Very high95.4Very high0 Ų030.1 Ų30.10%017%0.167CC..  trans-128164.2172.9-55.40000110.4V43 M45 A73 L74 G77 V82 R225V43-V79 HydrophobicContact CB-CG1 3.76Å; V43-V79 HydrophobicContact CG1-CG1 4Å; V43-V79 HydrophobicContact CG2-CG1 4.07Å; M45-V79 HydrophobicContact SD-CG1 4.37Å; A73-V79 HydrophobicContact CB-CG1 4.34Å; A73-V79 HydrophobicContact CB-CG2 3.64Å; A73-V79 PolarHBondContact O-N 3.24Å; L74-V79 HydrophobicContact CD2-CG2 3.96Å; L74-V79 HydrophobicContact CG-CG2 4.1Å; G77-V79 VanDerWaalsContact C-N 3.34Å; V79-V82 HydrophobicContact CG2-CG2 3.81Å; V79-R225 PolarHBondContact O-NH1 3.47Å
80D98.4Very high95.3Very high3 Ų329 Ų292%0.01616%0.164CC..SBendtrans-108.9-34.8-168.7-56.3-43000113R7 V10 R11 R225 I231R7-D80 IonicContact CZ-OD1 3.06Å; R7-D80 IonicContact CZ-OD2 3.46Å; R7-D80 IonicContact NH2-OD1 2.87Å; R7-D80 PolarHBondContact NH2-OD1 3.34Å; R7-D80 IonicContact NH2-OD2 3.41Å; R7-D80 PolarHBondContact NH2-OD2 2.72Å; V10-D80 HydrophobicContact CG1-CB 4.16Å; R11-D80 IonicContact CZ-OD1 3.8Å; R11-D80 PolarHBondContact N-OD2 2.7Å; R11-D80 IonicContact NE-OD1 3.85Å; R11-D80 IonicContact NE-OD2 3.46Å; R11-D80 PolarHBondContact NE-OD2 2.91Å; R11-D80 IonicContact NH2-OD1 2.94Å; R11-D80 PolarHBondContact NH2-OD1 3.03Å; R11-D80 IonicContact NH2-OD2 3.81Å; R11-D80 WeakPolarHBondContact O-CA 3.37Å; R11-D80 WeakPolarHBondContact O-CB 3.13Å; R11-D80 PolarHBondContact O-N 3.12Å; D80-R225 IonicContact OD1-NH2 2.81Å; D80-R225 PolarHBondContact OD1-NH2 3.04Å; D80-I231 HydrophobicContact CB-CD1 3.93Å; D80-I231 HydrophobicContact CB-CG1 4.32Å
81L98.3Very high94.9Very high1 Ų129.9 Ų29.91%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-145.3160.1168.767.998.3000109.6V10 R11 V12 G13 L31 V83 C222 E223 C224 I231 L235V10-L81 HydrophobicContact CG1-CD2 3.7Å; V10-L81 HydrophobicContact CG1-CG 4.49Å; R11-L81 PolarHBondContact O-N 3.28Å; V12-L81 CarbonylContact C-O 3.56Å; V12-L81 WeakPolarHBondContact CA-O 3.31Å; V12-L81 HydrophobicContact CB-CD1 4.31Å; V12-L81 HydrophobicContact CG1-CD1 3.58Å; V12-L81 HydrophobicContact CG1-CG 4.29Å; V12-L81 HydrophobicContact CG2-CD1 4.04Å; V12-L81 HydrophobicContact CG2-CD2 4.29Å; V12-L81 HydrophobicContact CG2-CG 4.06Å; G13-L81 PolarHBondContact N-O 3.5Å; L31-L81 HydrophobicContact CD1-CD2 4.27Å; L81-V83 HydrophobicContact CD1-CG2 4.07Å; L81-C222 HydrophobicContact CD1-CB 4.43Å; L81-E223 CarbonylContact C-O 3.48Å; L81-E223 WeakPolarHBondContact CA-O 3.49Å; L81-C224 HydrophobicContact CB-CB 4.32Å; L81-I231 HydrophobicContact CB-CG2 4.09Å; L81-I231 HydrophobicContact CD2-CG2 4.24Å; L81-L235 HydrophobicContact CD2-CD2 4.14Å
82V98Very high94.6Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-130.4139.7175.2179.30000109.7L70 L74 V79 H84 C222 E223L70-V82 HydrophobicContact CB-CG1 3.94Å; L70-V82 HydrophobicContact CB-CG2 4.08Å; L70-V82 HydrophobicContact CD1-CG1 3.76Å; L70-V82 HydrophobicContact CD2-CG1 3.85Å; L70-V82 HydrophobicContact CD2-CG2 4.25Å; L70-V82 HydrophobicContact CG-CG1 4.06Å; L74-V82 HydrophobicContact CD1-CB 4.22Å; L74-V82 HydrophobicContact CD1-CG2 3.77Å; L74-V82 HydrophobicContact CD2-CG2 3.99Å; L74-V82 HydrophobicContact CG-CG2 3.69Å; V79-V82 HydrophobicContact CG2-CG2 3.81Å; V82-H84 WeakPolarHBondContact CB-NE2 3.29Å; V82-H84 WeakPolarHBondContact CG1-NE2 3.46Å; V82-C222 CarbonylContact O-C 3.58Å; V82-C222 VanDerWaalsContact O-CA 3.27Å; V82-C222 WeakPolarHBondContact O-CA 3.47Å; V82-E223 PolarHBondContact N-O 2.95Å; V82-E223 PolarHBondContact O-N 2.99Å
83V97.4Very high94.6Very high10 Ų1030.5 Ų30.56%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-99.4124.1178.8-176.40000110.6V12 T24 A27 L81 F103V12-V83 HydrophobicContact CG1-CG2 3.99Å; T24-V83 HydrophobicContact CG2-CG2 4.18Å; A27-V83 HydrophobicContact CB-CG1 4.17Å; A27-V83 HydrophobicContact CB-CG2 3.64Å; L81-V83 HydrophobicContact CD1-CG2 4.07Å; V83-F103 HydrophobicContact CG1-CE1 4.18Å; V83-F103 HydrophobicContact CG1-CZ 4.09Å
84H95Very high94.5Very high13 Ų1332.4 Ų32.46%0.0619%0.189CC..EExtended strand (participates in β ladder)trans-122.4143.4-177.8-62.5-91.3000112.8V82 L86 V89 L220 A221 E223V82-H84 WeakPolarHBondContact CB-NE2 3.29Å; V82-H84 WeakPolarHBondContact CG1-NE2 3.46Å; H84-L86 PolarHBondContact O-N 3.01Å; H84-V89 HydrophobicContact CB-CG2 3.36Å; H84-L220 VanDerWaalsContact O-CA 3.29Å; H84-L220 WeakPolarHBondContact O-CA 3.43Å; H84-L220 WeakPolarHBondContact O-CD2 3.41Å; H84-A221 PolarHBondContact N-O 3.44Å; H84-A221 PolarHBondContact O-N 2.95Å; H84-E223 IonicContact CD2-OE2 3.37Å; H84-E223 IonicContact CE1-OE2 3.11Å; H84-E223 IonicContact NE2-OE2 2.7Å; H84-E223 PolarHBondContact NE2-OE2 3.41Å
85S95.2Very high94.4Very high18 Ų1838.1 Ų38.113%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-64.3113.6154-69.90000108.6Q23 K87 D88Q23-S85 PolarHBondContact NE2-OG 3.13Å; Q23-S85 PolarHBondContact OE1-OG 2.8Å; S85-K87 PolarHBondContact O-N 3.48Å; S85-K87 VanDerWaalsContact O-N 3.09Å; S85-D88 WeakPolarHBondContact CB-OD2 3.42Å; S85-D88 WeakPolarHBondContact O-CB 3.49Å; S85-D88 PolarHBondContact O-N 2.83Å
86L96Very high94.4Very high0 Ų035.4 Ų35.40%022%0.223CC..G310 helixtrans-62.8-26.7-167.2-177.657.2000113.7H84 D88 V89 L99 V102 A219 A221 T247 R251H84-L86 PolarHBondContact O-N 3.01Å; L86-D88 PolarHBondContact O-N 3.39Å; L86-V89 HydrophobicContact CD1-CB 4.28Å; L86-V89 HydrophobicContact CD1-CG2 4.4Å; L86-V89 PolarHBondContact O-N 3.23Å; L86-L99 HydrophobicContact CD1-CD1 3.52Å; L86-V102 HydrophobicContact CD2-CG1 4.18Å; L86-V102 HydrophobicContact CD2-CG2 4.06Å; L86-A219 HydrophobicContact CB-CB 4.09Å; L86-A219 HydrophobicContact CD2-CB 4.07Å; L86-A219 PolarHBondContact N-O 2.87Å; L86-A219 VanDerWaalsContact N-O 3.11Å; L86-A221 HydrophobicContact CB-CB 4.33Å; L86-A221 HydrophobicContact CD1-CB 3.87Å; L86-A221 HydrophobicContact CD2-CB 4.46Å; L86-A221 HydrophobicContact CG-CB 4.44Å; L86-T247 HydrophobicContact CD2-CG2 3.89Å; L86-R251 PolarHBondContact O-NH1 3.27Å
87K93Very high94.4Very high72 Ų7231.8 Ų31.831%0.31320%0.197SC..G310 helixtrans-62.8-21.5173.472.8177-171.1-178.60114.2S85 V215 Q217S85-K87 PolarHBondContact O-N 3.48Å; S85-K87 VanDerWaalsContact O-N 3.09Å; K87-V215 WeakPolarHBondContact CA-O 3.38Å; K87-V215 WeakPolarHBondContact CB-O 3.35Å; K87-Q217 HydrophobicContact CD-CB 4.27Å; K87-Q217 HydrophobicContact CD-CG 4.23Å
88D89.4Confident94.6Very high63 Ų6330.7 Ų30.734%0.33719%0.185SC..G310 helixtrans-97.30.3-178.5-57.9-39.1000111.5S85 L86S85-D88 WeakPolarHBondContact CB-OD2 3.42Å; S85-D88 WeakPolarHBondContact O-CB 3.49Å; S85-D88 PolarHBondContact O-N 2.83Å; L86-D88 PolarHBondContact O-N 3.39Å
89V91.4Very high94.6Very high3 Ų326.1 Ų26.12%0.01816%0.164CC..SBendtrans-96.9126.2177.8-173.90000109.8H84 L86 L93 L99 R251H84-V89 HydrophobicContact CB-CG2 3.36Å; L86-V89 HydrophobicContact CD1-CB 4.28Å; L86-V89 HydrophobicContact CD1-CG2 4.4Å; L86-V89 PolarHBondContact O-N 3.23Å; V89-L93 HydrophobicContact CG1-CD2 4.38Å; V89-L99 HydrophobicContact CG1-CD2 4.36Å; V89-R251 PolarHBondContact O-NH1 3.11Å
90P88.1Confident94.6Very high23 Ų2326.1 Ų26.115%0.14916%0.164CC..  trans-53.8155.8173.4-27.136.3000113.5K63 T92 R251K63-P90 HydrophobicContact CB-CG 4.41Å; K63-P90 WeakPolarHBondContact O-CG 3.38Å; P90-T92 PolarHBondContact O-N 3.19Å; P90-R251 PolarHBondContact O-NH2 2.93Å
91S86.3Confident94.6Very high19 Ų1926 Ų2613%0.13316%0.163CC..SBendtrans-75.2-8.9176.657.80000114.1R255S91-R255 PolarHBondContact O-NH1 3.32Å; S91-R255 VanDerWaalsContact O-NH1 3.1Å
92T89.1Confident94.6Very high87 Ų8726 Ų2653%0.53416%0.163SC..SBendtrans-127.5122.4173.9-59.30000107.5P90 R255P90-T92 PolarHBondContact O-N 3.19Å; T92-R255 PolarHBondContact OG1-NH1 3.09Å
93L93Very high94.4Very high28 Ų2826.3 Ų26.315%0.14717%0.165CC..PPolyproline II helixtrans-96.2160.5177.7-63.794000110.3V89 L99 E223V89-L93 HydrophobicContact CG1-CD2 4.38Å; L93-L99 HydrophobicContact CD1-CG 4.45Å; L93-L99 HydrophobicContact CD2-CD2 4.08Å; L93-L99 HydrophobicContact CD2-CG 4.06Å; L93-E223 HydrophobicContact CD2-CG 3.85Å; L93-E223 WeakPolarHBondContact CD2-OE1 3.25Å
94P94.4Very high94.2Very high41 Ų4127.7 Ų27.727%0.26618%0.177SC..PPolyproline II helixtrans-55.9152.9170.9-2434.7000112.5E71 G96 L97E71-P94 HydrophobicContact CB-CG 4.3Å; E71-P94 HydrophobicContact CG-CG 4.1Å; E71-P94 VanDerWaalsContact OE2-CG 3.31Å; E71-P94 WeakPolarHBondContact OE2-CG 3.16Å; P94-G96 PolarHBondContact O-N 3.42Å; P94-L97 HydrophobicContact CB-CD1 4.15Å; P94-L97 HydrophobicContact CB-CG 4.45Å; P94-L97 HydrophobicContact CG-CD1 4.12Å; P94-L97 PolarHBondContact O-N 3.07Å; P94-L97 VanDerWaalsContact O-N 3.11Å
95S95.1Very high94.3Very high120 Ų12029.1 Ų29.184%0.83918%0.181SC*.THydrogen-bonded Turntrans-59.2134.2178.5-169.70000111L97S95-L97 VanDerWaalsContact C-N 3.31Å
96G96.6Very high94.3Very high36 Ų3630.6 Ų30.637%0.37119%0.19SC..THydrogen-bonded Turntrans85.2-7.8-177.100000115.2P94 R225 L226P94-G96 PolarHBondContact O-N 3.42Å; G96-R225 CarbonylContact O-C 3.58Å; G96-R225 WeakPolarHBondContact O-CA 3.42Å; G96-L226 PolarHBondContact O-N 3.07Å
97L98.1Very high94.4Very high8 Ų831.8 Ų31.84%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-106145174.9-57.3-174.8000111.7E71 L74 L75 P94 S95 E223 C224 R225E71-L97 HydrophobicContact CB-CD1 3.78Å; E71-L97 HydrophobicContact CG-CD1 3.92Å; L74-L97 HydrophobicContact CB-CD1 4.33Å; L74-L97 HydrophobicContact CB-CD2 3.75Å; L74-L97 HydrophobicContact CD1-CD1 4.31Å; L74-L97 HydrophobicContact CD1-CD2 4.29Å; L75-L97 HydrophobicContact CD1-CD1 4.46Å; L75-L97 HydrophobicContact CD2-CD1 4.4Å; L75-L97 HydrophobicContact CD2-CD2 3.87Å; L75-L97 HydrophobicContact CD2-CG 3.97Å; L75-L97 HydrophobicContact CG-CD1 4.11Å; L75-L97 HydrophobicContact CG-CD2 4.15Å; L75-L97 HydrophobicContact CG-CG 4.22Å; P94-L97 HydrophobicContact CB-CD1 4.15Å; P94-L97 HydrophobicContact CB-CG 4.45Å; P94-L97 HydrophobicContact CG-CD1 4.12Å; P94-L97 PolarHBondContact O-N 3.07Å; P94-L97 VanDerWaalsContact O-N 3.11Å; S95-L97 VanDerWaalsContact C-N 3.31Å; L97-E223 HydrophobicContact CB-CG 4.41Å; L97-E223 WeakPolarHBondContact CB-OE1 3.18Å; L97-E223 WeakPolarHBondContact CD1-OE1 3.45Å; L97-C224 WeakPolarHBondContact CA-O 3.33Å; L97-R225 HydrophobicContact CD2-CG 4.1Å
98V98.1Very high94.6Very high4 Ų429 Ų292%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-147.1160.3-179.7-70.70000111.5G100 E223 C224 L226 M232 I362 I367V98-G100 PolarHBondContact O-N 3.29Å; V98-E223 CarbonylContact O-C 3.44Å; V98-E223 VanDerWaalsContact O-CA 3.27Å; V98-E223 WeakPolarHBondContact O-CA 3.17Å; V98-C224 PolarHBondContact N-O 3.15Å; V98-C224 PolarHBondContact O-N 3.27Å; V98-L226 HydrophobicContact CG1-CB 4.18Å; V98-L226 HydrophobicContact CG1-CD1 3.92Å; V98-L226 HydrophobicContact CG1-CG 4.47Å; V98-L226 HydrophobicContact CG2-CB 4.16Å; V98-L226 HydrophobicContact CG2-CD1 4.17Å; V98-M232 HydrophobicContact CG2-SD 4.09Å; V98-I362 HydrophobicContact CG1-CD1 3.73Å; V98-I362 HydrophobicContact CG1-CG1 4.37Å; V98-I367 HydrophobicContact CB-CG2 3.58Å; V98-I367 HydrophobicContact CG1-CG2 3.75Å; V98-I367 HydrophobicContact CG2-CG2 3.67Å
99L98.4Very high95Very high0 Ų028.2 Ų28.20%018%0.182CC..EExtended strand (participates in β ladder)trans-84.999.9166.8-58.8174.7000108.9L86 V89 L93 C101 A221 C222 E223 G365 V366 I367L86-L99 HydrophobicContact CD1-CD1 3.52Å; V89-L99 HydrophobicContact CG1-CD2 4.36Å; L93-L99 HydrophobicContact CD1-CG 4.45Å; L93-L99 HydrophobicContact CD2-CD2 4.08Å; L93-L99 HydrophobicContact CD2-CG 4.06Å; L99-C101 VanDerWaalsContact C-N 3.28Å; L99-C101 PolarHBondContact O-N 2.78Å; L99-A221 HydrophobicContact CD1-CB 4.43Å; L99-A221 HydrophobicContact CD2-CB 3.99Å; L99-C222 CarbonylContact C-O 3.46Å; L99-C222 VanDerWaalsContact CA-O 3.3Å; L99-C222 WeakPolarHBondContact CA-O 3.25Å; L99-E223 HydrophobicContact CD2-CB 4.08Å; L99-E223 HydrophobicContact CD2-CG 4.46Å; L99-G365 WeakPolarHBondContact CB-O 3.37Å; L99-G365 PolarHBondContact N-O 2.97Å; L99-V366 HydrophobicContact CB-CG2 4.13Å; L99-V366 HydrophobicContact CD1-CG2 4.07Å; L99-V366 WeakPolarHBondContact O-CA 3.41Å; L99-I367 PolarHBondContact O-N 3.09Å; L99-I367 VanDerWaalsContact O-N 3.07Å
100G98Very high95.4Very high0 Ų028.4 Ų28.40%018%0.183CC..EExtended strand (participates in β ladder)trans-70.6-21.7-179.200000113.8V98 C222 I367V98-G100 PolarHBondContact O-N 3.29Å; G100-C222 PolarHBondContact N-O 3.37Å; G100-I367 CarbonylContact C-O 3.3Å; G100-I367 WeakPolarHBondContact CA-O 3.38Å
101C97.8Very high95.9Very high0 Ų027.3 Ų27.30%018%0.176CC..EExtended strand (participates in β ladder)trans-156.1156.5169.371.50000112.6L99 A221 C222 L235 H239L99-C101 VanDerWaalsContact C-N 3.28Å; L99-C101 PolarHBondContact O-N 2.78Å; C101-A221 CarbonylContact O-C 3.55Å; C101-A221 WeakPolarHBondContact O-CA 3.36Å; C101-A221 VanDerWaalsContact O-CB 3.29Å; C101-A221 WeakPolarHBondContact O-CB 3.32Å; C101-C222 PolarHBondContact O-N 3.4Å; C101-C222 VanDerWaalsContact SG-CB 3.58Å; C101-C222 VanDerWaalsContact SG-SG 3.63Å; C101-L235 HydrophobicContact CB-CB 4.06Å; C101-L235 VanDerWaalsContact CB-O 3.32Å; C101-L235 WeakPolarHBondContact CB-O 3.32Å; C101-H239 HydrophobicContact CB-CB 4.07Å
102V98.3Very high96.4Very high0 Ų026.4 Ų26.40%017%0.169CC..EExtended strand (participates in β ladder)trans-113.4130.7157.7-177.60000105.7L86 A219 L220 A221 H239 D240 A243 A244 V366L86-V102 HydrophobicContact CD2-CG1 4.18Å; L86-V102 HydrophobicContact CD2-CG2 4.06Å; V102-A219 HydrophobicContact CG1-CB 4.29Å; V102-L220 WeakPolarHBondContact CA-O 3.42Å; V102-L220 WeakPolarHBondContact CG1-O 3.44Å; V102-A221 HydrophobicContact CG2-CB 4.29Å; V102-H239 PolarHBondContact N-ND1 3.16Å; V102-H239 CarbonylContact O-C 3.56Å; V102-H239 WeakPolarHBondContact O-CA 3.46Å; V102-H239 PolarHBondContact O-ND1 3.29Å; V102-D240 PolarHBondContact O-N 3.06Å; V102-A243 HydrophobicContact CG1-CB 3.78Å; V102-A244 HydrophobicContact CB-CB 4.2Å; V102-A244 HydrophobicContact CG2-CB 4.39Å; V102-V366 HydrophobicContact CG2-CG1 4.46Å; V102-V366 HydrophobicContact CG2-CG2 3.94Å
103F92.7Very high96.9Very high8 Ų822.3 Ų22.34%0.03514%0.144CC..EExtended strand (participates in β ladder)trans-105.4172.417955.1-90.1000111.9A27 L30 V83 R105 L220 I238 A243A27-F103 HydrophobicContact CB-CE1 4.31Å; A27-F103 HydrophobicContact CB-CZ 4.16Å; L30-F103 HydrophobicContact CD1-CD2 4.5Å; V83-F103 HydrophobicContact CG1-CE1 4.18Å; V83-F103 HydrophobicContact CG1-CZ 4.09Å; F103-R105 PolarHBondContact O-N 3.15Å; F103-L220 HydrophobicContact CD1-CB 3.88Å; F103-L220 WeakPolarHBondContact CD1-O 3.48Å; F103-L220 HydrophobicContact CD2-CB 3.9Å; F103-L220 HydrophobicContact CD2-CD1 4.3Å; F103-L220 HydrophobicContact CE1-CB 3.24Å; F103-L220 HydrophobicContact CE1-CD1 4.45Å; F103-L220 HydrophobicContact CE1-CG 4.4Å; F103-L220 HydrophobicContact CE2-CB 3.31Å; F103-L220 HydrophobicContact CE2-CD1 3.22Å; F103-L220 HydrophobicContact CE2-CG 3.81Å; F103-L220 HydrophobicContact CG-CB 4.2Å; F103-L220 HydrophobicContact CZ-CB 2.97Å; F103-L220 HydrophobicContact CZ-CD1 3.34Å; F103-L220 HydrophobicContact CZ-CG 3.7Å; F103-L220 PolarHBondContact N-O 2.86Å; F103-I238 VanDerWaalsContact CB-O 3.25Å; F103-I238 WeakPolarHBondContact CB-O 3.37Å; F103-A243 WeakPolarHBondContact O-CB 3.49Å
104A93.6Very high97.2Very high38 Ų3821 Ų2131%0.31414%0.137SC..  trans-45.8124.1-168.800000113D240A104-D240 HydrophobicContact CB-CB 4.33Å
105R96.6Very high97.3Very high43 Ų4319 Ų1916%0.16213%0.125CC..  trans-81.9129.7-175.6-176.2174.4-171.2-178.35.9110.4F103 Y213 Q217 A219 A243 E250F103-R105 PolarHBondContact O-N 3.15Å; R105-Y213 VanDerWaalsContact NH2-CE2 3.31Å; R105-Q217 VanDerWaalsContact CZ-O 3.31Å; R105-Q217 PolarHBondContact NE-O 2.97Å; R105-Q217 PolarHBondContact NH2-O 3.48Å; R105-A219 HydrophobicContact CB-CB 4.49Å; R105-A219 HydrophobicContact CG-CB 4.14Å; R105-A243 HydrophobicContact CB-CB 3.78Å; R105-E250 IonicContact CZ-OE1 3.41Å; R105-E250 IonicContact CZ-OE2 3.86Å; R105-E250 IonicContact NH1-OE1 2.85Å; R105-E250 PolarHBondContact NH1-OE1 2.83Å; R105-E250 IonicContact NH1-OE2 3.98Å; R105-E250 PolarHBondContact NH1-OE2 3.27Å; R105-E250 IonicContact NH2-OE1 2.98Å; R105-E250 PolarHBondContact NH2-OE1 3.16Å; R105-E250 IonicContact NH2-OE2 3.7Å; R105-E250 PolarHBondContact NH2-OE2 2.7Å; R105-E250 VanDerWaalsContact NH2-OE2 3.11Å
106V96.4Very high97.3Very high49 Ų4916.9 Ų16.930%0.29711%0.108SC..  trans-90.6175.6168.7-53.50000110.6P108 A193 G218V106-P108 WeakPolarHBondContact O-CD 3.41Å; V106-P108 VanDerWaalsContact O-N 3.13Å; V106-A193 HydrophobicContact CG2-CB 3.42Å; V106-A193 VanDerWaalsContact CG2-CB 3.42Å; V106-G218 PolarHBondContact N-O 2.87Å
107S97.1Very high97.2Very high26 Ų2620.3 Ų20.318%0.18211%0.114CC..  trans-35.7113178-133.20000113.5E109 K192S107-E109 VanDerWaalsContact C-N 3.27Å; S107-E109 VanDerWaalsContact C-OE2 3.28Å; S107-E109 VanDerWaalsContact CA-OE2 3.29Å; S107-E109 WeakPolarHBondContact CA-OE2 3.06Å; S107-E109 WeakPolarHBondContact CB-OE2 3.48Å; S107-E109 PolarHBondContact O-N 3.01Å; S107-E109 PolarHBondContact OG-OE2 3.43Å; S107-K192 VanDerWaalsContact OG-CD 3.31Å; S107-K192 WeakPolarHBondContact OG-CD 3.44Å; S107-K192 WeakPolarHBondContact OG-CE 3.49Å; S107-K192 PolarHBondContact OG-NZ 3.22Å
108P97.9Very high97.2Very high14 Ų1421.9 Ų21.99%0.09112%0.12CC..  trans-78.8-7.917833.6-38.7000113.5V106 Y213 Q217V106-P108 WeakPolarHBondContact O-CD 3.41Å; V106-P108 VanDerWaalsContact O-N 3.13Å; P108-Y213 HydrophobicContact CB-CD1 3.69Å; P108-Y213 HydrophobicContact CB-CD2 3.8Å; P108-Y213 HydrophobicContact CB-CE1 3.66Å; P108-Y213 HydrophobicContact CB-CE2 3.79Å; P108-Y213 HydrophobicContact CB-CG 3.73Å; P108-Y213 HydrophobicContact CG-CD1 3.65Å; P108-Y213 HydrophobicContact CG-CD2 4.49Å; P108-Y213 HydrophobicContact CG-CE1 3.27Å; P108-Y213 HydrophobicContact CG-CE2 4.2Å; P108-Y213 HydrophobicContact CG-CG 4.23Å; P108-Y213 WeakPolarHBondContact O-CB 3.34Å; P108-Q217 WeakPolarHBondContact CA-O 3.39Å; P108-Q217 VanDerWaalsContact CB-O 3.27Å; P108-Q217 WeakPolarHBondContact CB-O 3.32Å; P108-Q217 WeakPolarHBondContact O-CG 3.35Å; P108-Q217 PolarHBondContact O-NE2 3Å
109E98.3Very high97.1Very high46 Ų4626.7 Ų26.722%0.21514%0.137CC..  trans-68.2157.8-172.6-60.874-167.400113S107 K192 V207 Q217S107-E109 VanDerWaalsContact C-N 3.27Å; S107-E109 VanDerWaalsContact C-OE2 3.28Å; S107-E109 VanDerWaalsContact CA-OE2 3.29Å; S107-E109 WeakPolarHBondContact CA-OE2 3.06Å; S107-E109 WeakPolarHBondContact CB-OE2 3.48Å; S107-E109 PolarHBondContact O-N 3.01Å; S107-E109 PolarHBondContact OG-OE2 3.43Å; E109-K192 VanDerWaalsContact O-CB 3.27Å; E109-K192 WeakPolarHBondContact O-CB 3.26Å; E109-K192 PolarHBondContact O-N 3.4Å; E109-V207 HydrophobicContact CB-CG1 4.04Å; E109-V207 HydrophobicContact CG-CG1 4.38Å; E109-Q217 PolarHBondContact O-NE2 3.41Å
110D98.5Very high97.1Very high7 Ų729.8 Ų29.84%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-87.4152.9165.1-71-37.1000110.5R138 R139 I189 L190 L208 Q217D110-R138 IonicContact OD1-NH2 3.57Å; D110-R138 IonicContact OD2-CZ 3.39Å; D110-R138 VanDerWaalsContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH1 3.99Å; D110-R138 PolarHBondContact OD2-NH1 3.15Å; D110-R138 IonicContact OD2-NH2 3.34Å; D110-R138 PolarHBondContact OD2-NH2 3.03Å; D110-R139 VanDerWaalsContact CG-NE 3.3Å; D110-R139 IonicContact OD1-CZ 3.91Å; D110-R139 VanDerWaalsContact OD1-CZ 3.31Å; D110-R139 IonicContact OD1-NE 3.21Å; D110-R139 PolarHBondContact OD1-NE 3.19Å; D110-R139 VanDerWaalsContact OD1-NE 3.14Å; D110-R139 IonicContact OD1-NH2 3.67Å; D110-R139 PolarHBondContact OD1-NH2 2.94Å; D110-R139 IonicContact OD2-NE 2.71Å; D110-R139 PolarHBondContact OD2-NE 3.47Å; D110-R139 VanDerWaalsContact OD2-NE 3.11Å; D110-I189 HydrophobicContact CB-CG2 4.03Å; D110-L190 CarbonylContact C-O 3.23Å; D110-L190 WeakPolarHBondContact CA-O 3.43Å; D110-L208 HydrophobicContact CB-CD1 4.03Å; D110-L208 WeakPolarHBondContact O-CB 3.45Å; D110-L208 PolarHBondContact O-N 2.91Å; D110-Q217 PolarHBondContact OD1-NE2 3.46Å
111V98.7Very high97.1Very high0 Ų035.1 Ų35.10%019%0.189CC..EExtended strand (participates in β ladder)trans-130.5154.3178.3-73.30000111.1L113 I189 L190 K192 V195 I204 Q206 V207V111-L113 HydrophobicContact CG2-CD1 3.94Å; V111-I189 WeakPolarHBondContact O-CA 3.27Å; V111-L190 HydrophobicContact CG2-CB 4.36Å; V111-L190 WeakPolarHBondContact CG2-O 3.29Å; V111-L190 PolarHBondContact N-O 3.17Å; V111-L190 PolarHBondContact O-N 3.47Å; V111-K192 HydrophobicContact CG1-CB 3.66Å; V111-K192 HydrophobicContact CG1-CD 3.89Å; V111-K192 HydrophobicContact CG1-CG 3.79Å; V111-K192 HydrophobicContact CG2-CB 4.29Å; V111-V195 HydrophobicContact CG2-CB 4.42Å; V111-V195 HydrophobicContact CG2-CG2 3.88Å; V111-I204 HydrophobicContact CB-CG1 4.31Å; V111-I204 HydrophobicContact CB-CG2 4Å; V111-I204 HydrophobicContact CG1-CD1 4.12Å; V111-I204 HydrophobicContact CG1-CG1 4.24Å; V111-I204 HydrophobicContact CG1-CG2 3.7Å; V111-I204 HydrophobicContact CG2-CG1 4.3Å; V111-Q206 CarbonylContact C-O 3.53Å; V111-Q206 VanDerWaalsContact CA-O 3.32Å; V111-Q206 WeakPolarHBondContact CA-O 2.97Å; V111-V207 HydrophobicContact CG1-CB 4.36Å; V111-V207 HydrophobicContact CG1-CG1 4.28Å; V111-V207 HydrophobicContact CG1-CG2 4.06Å
112V98.8Very high97.1Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-103.6127.9174.2-168.40000108.2M114 L123 A187 I189 D205 Q206 L208V112-M114 HydrophobicContact CG1-CE 3.86Å; V112-M114 HydrophobicContact CG1-SD 4Å; V112-L123 HydrophobicContact CG1-CD2 3.75Å; V112-L123 HydrophobicContact CG1-CG 4.04Å; V112-L123 HydrophobicContact CG2-CD1 3.77Å; V112-L123 HydrophobicContact CG2-CD2 4.34Å; V112-L123 HydrophobicContact CG2-CG 3.83Å; V112-A187 HydrophobicContact CG1-CB 3.86Å; V112-I189 HydrophobicContact CB-CD1 4.33Å; V112-I189 HydrophobicContact CG1-CD1 4.18Å; V112-I189 HydrophobicContact CG2-CD1 3.82Å; V112-D205 PolarHBondContact O-N 2.68Å; V112-Q206 HydrophobicContact CB-CB 3.94Å; V112-Q206 HydrophobicContact CG2-CB 3.89Å; V112-Q206 HydrophobicContact CG2-CG 4.32Å; V112-Q206 PolarHBondContact N-O 3.32Å; V112-Q206 PolarHBondContact O-N 3.32Å; V112-L208 HydrophobicContact CG2-CD1 4.23Å; V112-L208 HydrophobicContact CG2-CD2 3.88Å; V112-L208 HydrophobicContact CG2-CG 4.07Å
113L98.7Very high97.1Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-108.2123.2165.2-78.963.2000106.7V111 L163 L166 A187 I188 L190 V195 R203V111-L113 HydrophobicContact CG2-CD1 3.94Å; L113-L163 HydrophobicContact CD2-CD1 3.68Å; L113-L166 HydrophobicContact CB-CD2 3.8Å; L113-A187 CarbonylContact O-C 3.52Å; L113-A187 VanDerWaalsContact O-CA 3.26Å; L113-A187 WeakPolarHBondContact O-CA 3.43Å; L113-I188 HydrophobicContact CB-CD1 4.46Å; L113-I188 HydrophobicContact CB-CG1 3.9Å; L113-I188 HydrophobicContact CD2-CD1 4.49Å; L113-I188 PolarHBondContact N-O 2.88Å; L113-I188 PolarHBondContact O-N 2.85Å; L113-L190 HydrophobicContact CD1-CD1 4.25Å; L113-L190 HydrophobicContact CD2-CD1 3.9Å; L113-V195 HydrophobicContact CD1-CG1 4.4Å; L113-V195 HydrophobicContact CD1-CG2 4.11Å; L113-R203 HydrophobicContact CD2-CB 3.84Å; L113-R203 HydrophobicContact CG-CB 4.01Å; L113-R203 WeakPolarHBondContact CG-O 3.48Å
114M98.4Very high97.3Very high0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-86.8150.5178.5-66.1-61.7-172.600111.2V112 Y118 R119 R121 K122 L123 L126 A187 D205V112-M114 HydrophobicContact CG1-CE 3.86Å; V112-M114 HydrophobicContact CG1-SD 4Å; M114-Y118 WeakPolarHBondContact CB-O 3.32Å; M114-Y118 WeakPolarHBondContact CG-O 3.36Å; M114-R119 WeakPolarHBondContact O-CD 3.47Å; M114-R121 HydrophobicContact CE-CB 4.28Å; M114-R121 WeakPolarHBondContact CE-O 3.1Å; M114-K122 WeakPolarHBondContact CE-O 3.3Å; M114-L123 HydrophobicContact CE-CD2 4.41Å; M114-L126 HydrophobicContact CE-CD1 4.26Å; M114-L126 HydrophobicContact CE-CD2 4.44Å; M114-L126 HydrophobicContact CE-CG 4.25Å; M114-L126 HydrophobicContact SD-CD1 4.25Å; M114-L126 HydrophobicContact SD-CD2 4.18Å; M114-L126 HydrophobicContact SD-CG 4.46Å; M114-A187 HydrophobicContact SD-CB 3.6Å; M114-D205 HydrophobicContact CB-CB 4.27Å; M114-D205 WeakPolarHBondContact CB-OD2 3.38Å; M114-D205 HydrophobicContact CG-CB 3.68Å; M114-D205 PolarHBondContact N-OD2 3.48Å
115A97.1Very high97.5Very high1 Ų145 Ų451%0.00824%0.237CC..  trans-59.4156.1169.300000110H117 Y118 R119 L166 Y185 D186A115-H117 PolarHBondContact O-N 2.86Å; A115-Y118 CarbonylContact O-C 3.6Å; A115-Y118 PolarHBondContact O-N 2.81Å; A115-R119 PolarHBondContact O-N 3.15Å; A115-L166 HydrophobicContact CB-CD1 4.02Å; A115-Y185 WeakPolarHBondContact CB-O 3.29Å; A115-D186 WeakPolarHBondContact CB-O 3.29Å; A115-D186 PolarHBondContact N-O 3.19Å
116P95.9Very high97.6Very high74 Ų7443.4 Ų43.448%0.48123%0.232SC..G310 helixtrans-50.2-36.4-175.4-31.736.5000115.1Y118 R119 D167P116-Y118 VanDerWaalsContact C-N 3.35Å; P116-R119 WeakPolarHBondContact O-CG 3.37Å; P116-D167 HydrophobicContact CG-CB 4.33Å
117H94.3Very high97.6Very high109 Ų10944 Ų4451%0.50524%0.237SC..G310 helixtrans-83.3-5.8-179.158.2-83.2000114.5A115 D186A115-H117 PolarHBondContact O-N 2.86Å; H117-D186 IonicContact NE2-OD1 2.59Å
118Y97Very high97.7Very high41 Ų4150 Ų5016%0.16127%0.265CS..G310 helixtrans-118.29.9176.1-70.6-52.4000113.6M114 A115 P116 G120 R121 L126 D186M114-Y118 WeakPolarHBondContact CB-O 3.32Å; M114-Y118 WeakPolarHBondContact CG-O 3.36Å; A115-Y118 CarbonylContact O-C 3.6Å; A115-Y118 PolarHBondContact O-N 2.81Å; P116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-G120 PolarHBondContact O-N 3.49Å; Y118-R121 VanDerWaalsContact O-CB 3.25Å; Y118-R121 WeakPolarHBondContact O-CB 3.18Å; Y118-R121 WeakPolarHBondContact O-CG 3.38Å; Y118-R121 PolarHBondContact O-N 3.29Å; Y118-R121 VanDerWaalsContact O-N 3.12Å; Y118-L126 HydrophobicContact CD1-CD2 4.04Å; Y118-L126 HydrophobicContact CD2-CD2 3.72Å; Y118-L126 HydrophobicContact CE1-CD2 4.36Å; Y118-L126 HydrophobicContact CE2-CD2 4.07Å; Y118-L126 HydrophobicContact CG-CD2 3.71Å; Y118-D186 HydrophobicContact CD2-CB 3.92Å; Y118-D186 HydrophobicContact CE2-CB 3.87Å
119R97.5Very high97.6Very high104 Ų10451.5 Ų51.539%0.39228%0.284SS..THydrogen-bonded Turntrans-50.4140.1177.4-67.8-58.4-51.2-81.3-1.9111.8M114 A115 P116 R121 H202 D205M114-R119 WeakPolarHBondContact O-CD 3.47Å; A115-R119 PolarHBondContact O-N 3.15Å; P116-R119 WeakPolarHBondContact O-CG 3.37Å; R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 2.88Å; R119-H202 PolarHBondContact NH2-O 3.14Å; R119-D205 IonicContact CZ-OD1 3.43Å; R119-D205 IonicContact NE-OD1 3.81Å; R119-D205 PolarHBondContact NE-OD1 3.28Å; R119-D205 IonicContact NE-OD2 3.59Å; R119-D205 PolarHBondContact NE-OD2 3.32Å; R119-D205 IonicContact NH2-OD1 2.84Å; R119-D205 PolarHBondContact NH2-OD1 3.25Å
120G97.2Very high97.5Very high66 Ų6649.7 Ų49.768%0.6828%0.276SS*.THydrogen-bonded Turntrans79.5-5-177.900000115.7Y118 D205Y118-G120 PolarHBondContact O-N 3.49Å; G120-D205 PolarHBondContact N-OD1 3.48Å
121R97.7Very high97.5Very high111 Ų11150.4 Ų50.442%0.41928%0.28SS..  trans-86.4163.5174.9-62.8-166.9-175.7-139.6-1.8112.6M114 Y118 R119 D125M114-R121 HydrophobicContact CE-CB 4.28Å; M114-R121 WeakPolarHBondContact CE-O 3.1Å; Y118-R121 VanDerWaalsContact O-CB 3.25Å; Y118-R121 WeakPolarHBondContact O-CB 3.18Å; Y118-R121 WeakPolarHBondContact O-CG 3.38Å; Y118-R121 PolarHBondContact O-N 3.29Å; Y118-R121 VanDerWaalsContact O-N 3.12Å; R119-R121 VanDerWaalsContact C-N 3.26Å; R119-R121 PolarHBondContact O-N 2.88Å; R121-D125 HydrophobicContact CB-CB 4.16Å; R121-D125 HydrophobicContact CG-CB 4.49Å; R121-D125 PolarHBondContact NH1-O 2.98Å
122K98.1Very high97.5Very high115 Ų11550.4 Ų50.450%0.528%0.28SS..  trans-102.2164.7168.2-61.7178-175.8175.60110.9M114 S124 D125 Q206M114-K122 WeakPolarHBondContact CE-O 3.3Å; K122-S124 PolarHBondContact O-N 3.49Å; K122-D125 WeakPolarHBondContact CB-OD2 3.5Å; K122-D125 PolarHBondContact N-OD2 3.26Å; K122-D125 WeakPolarHBondContact O-CB 3.42Å; K122-D125 PolarHBondContact O-N 3.45Å; K122-Q206 HydrophobicContact CG-CG 4.32Å
123L98.3Very high97.4Very high0 Ų050.4 Ų50.40%028%0.28CS..G310 helixtrans-56-33.3175.8-71.1175.6000112.8V112 M114 D125 L126 V132 L143 Y147 L150 A187 I189 L208V112-L123 HydrophobicContact CG1-CD2 3.75Å; V112-L123 HydrophobicContact CG1-CG 4.04Å; V112-L123 HydrophobicContact CG2-CD1 3.77Å; V112-L123 HydrophobicContact CG2-CD2 4.34Å; V112-L123 HydrophobicContact CG2-CG 3.83Å; M114-L123 HydrophobicContact CE-CD2 4.41Å; L123-D125 PolarHBondContact O-N 3.08Å; L123-L126 HydrophobicContact CD2-CD1 3.98Å; L123-L126 PolarHBondContact O-N 3.27Å; L123-V132 HydrophobicContact CD2-CG1 4.42Å; L123-V132 HydrophobicContact CD2-CG2 4.04Å; L123-L143 HydrophobicContact CD1-CD2 4.32Å; L123-Y147 HydrophobicContact CB-CD1 4.13Å; L123-Y147 HydrophobicContact CB-CD2 4.31Å; L123-Y147 HydrophobicContact CB-CE1 3.93Å; L123-Y147 HydrophobicContact CB-CE2 4.1Å; L123-Y147 HydrophobicContact CB-CG 4.33Å; L123-Y147 HydrophobicContact CD1-CD2 3.98Å; L123-Y147 HydrophobicContact CD1-CE2 3.66Å; L123-L150 HydrophobicContact CB-CD1 4.04Å; L123-L150 HydrophobicContact CD2-CD1 4.06Å; L123-A187 HydrophobicContact CD2-CB 4.2Å; L123-I189 HydrophobicContact CD1-CD1 4.13Å; L123-I189 HydrophobicContact CD2-CD1 4.43Å; L123-L208 HydrophobicContact CD1-CD2 4.27Å
124S97.7Very high97.2Very high65 Ų6550.5 Ų50.546%0.45528%0.281SS..G310 helixtrans-64.1-20.9175.750.30000114.2K122K122-S124 PolarHBondContact O-N 3.49Å
125D97.8Very high96.9Very high75 Ų7552.1 Ų52.140%0.40129%0.292SS..G310 helixtrans-98.5-1.7-172.3-42.8-27.9000111.6R121 K122 L123R121-D125 HydrophobicContact CB-CB 4.16Å; R121-D125 HydrophobicContact CG-CB 4.49Å; R121-D125 PolarHBondContact NH1-O 2.98Å; K122-D125 WeakPolarHBondContact CB-OD2 3.5Å; K122-D125 PolarHBondContact N-OD2 3.26Å; K122-D125 WeakPolarHBondContact O-CB 3.42Å; K122-D125 PolarHBondContact O-N 3.45Å; L123-D125 PolarHBondContact O-N 3.08Å
126L98Very high96.7Very high8 Ų853.7 Ų53.74%0.04231%0.305CS..SBendtrans-78.5139.8177.2-69.2179.7000110.1M114 Y118 L123 V132 L150 D186 A187M114-L126 HydrophobicContact CE-CD1 4.26Å; M114-L126 HydrophobicContact CE-CD2 4.44Å; M114-L126 HydrophobicContact CE-CG 4.25Å; M114-L126 HydrophobicContact SD-CD1 4.25Å; M114-L126 HydrophobicContact SD-CD2 4.18Å; M114-L126 HydrophobicContact SD-CG 4.46Å; Y118-L126 HydrophobicContact CD1-CD2 4.04Å; Y118-L126 HydrophobicContact CD2-CD2 3.72Å; Y118-L126 HydrophobicContact CE1-CD2 4.36Å; Y118-L126 HydrophobicContact CE2-CD2 4.07Å; Y118-L126 HydrophobicContact CG-CD2 3.71Å; L123-L126 HydrophobicContact CD2-CD1 3.98Å; L123-L126 PolarHBondContact O-N 3.27Å; L126-V132 HydrophobicContact CD1-CG2 4.32Å; L126-L150 HydrophobicContact CB-CD2 3.8Å; L126-L150 HydrophobicContact CD1-CD2 4.28Å; L126-D186 HydrophobicContact CD2-CB 4.49Å; L126-A187 HydrophobicContact CD1-CB 4.2Å
127P97.5Very high96.5Very high63 Ų6351.5 Ų51.541%0.40929%0.29SS..PPolyproline II helixtrans-57157.4175.4-25.534000113.6G129 S130P127-G129 PolarHBondContact O-N 2.63Å; P127-S130 VanDerWaalsContact CD-OG 3.32Å; P127-S130 WeakPolarHBondContact CD-OG 3.31Å; P127-S130 VanDerWaalsContact O-CB 3.3Å; P127-S130 WeakPolarHBondContact O-CB 3.37Å; P127-S130 PolarHBondContact O-N 2.94Å; P127-S130 VanDerWaalsContact O-N 3.12Å; P127-S130 PolarHBondContact O-OG 2.91Å
128I98Very high96.5Very high151 Ų15147.1 Ų47.177%0.77427%0.269SS*.THydrogen-bonded Turntrans-56133.8171.4-59.6170.9000109.5S130 H149I128-S130 VanDerWaalsContact C-N 3.32Å; I128-H149 HydrophobicContact CG1-CB 4.14Å; I128-H149 HydrophobicContact CG2-CB 4.48Å
129G96.1Very high96.5Very high46 Ų4645.9 Ų45.947%0.47427%0.265SS..THydrogen-bonded Turntrans83.50.8-179.800000114.9P127 H149P127-G129 PolarHBondContact O-N 2.63Å; G129-H149 PolarHBondContact N-O 3.23Å
130S97.4Very high96.4Very high7 Ų742.8 Ų42.85%0.04926%0.257CS..  trans-57.9140.8175.7-58.70000111.3P127 I128 K151 D186P127-S130 VanDerWaalsContact CD-OG 3.32Å; P127-S130 WeakPolarHBondContact CD-OG 3.31Å; P127-S130 VanDerWaalsContact O-CB 3.3Å; P127-S130 WeakPolarHBondContact O-CB 3.37Å; P127-S130 PolarHBondContact O-N 2.94Å; P127-S130 VanDerWaalsContact O-N 3.12Å; P127-S130 PolarHBondContact O-OG 2.91Å; I128-S130 VanDerWaalsContact C-N 3.32Å; S130-K151 PolarHBondContact O-N 3.44Å; S130-D186 VanDerWaalsContact CA-OD2 3.26Å; S130-D186 WeakPolarHBondContact CA-OD2 2.87Å; S130-D186 WeakPolarHBondContact CB-OD2 3.43Å
131T97.2Very high96.3Very high22 Ų2239.6 Ų39.614%0.13522%0.224CC..EExtended strand (participates in β ladder)trans-95.5116.8-173.2-65.10000111.5K151 V153 S184 Y185 D186 A187T131-K151 CarbonylContact C-O 3.58Å; T131-K151 WeakPolarHBondContact CA-O 3.44Å; T131-V153 HydrophobicContact CG2-CB 3.88Å; T131-V153 HydrophobicContact CG2-CG2 3.61Å; T131-S184 WeakPolarHBondContact CG2-O 3.49Å; T131-Y185 HydrophobicContact CG2-CD1 4.01Å; T131-D186 PolarHBondContact N-OD2 3.5Å; T131-D186 PolarHBondContact O-N 3.22Å; T131-A187 PolarHBondContact O-N 3.43Å
132V98.3Very high96.2Very high0 Ų035.2 Ų35.20%021%0.21CC..EExtended strand (participates in β ladder)trans-108.3122.5178.7-177.10000110.7L123 L126 L150 K151 F152 V153 A187 I189L123-V132 HydrophobicContact CD2-CG1 4.42Å; L123-V132 HydrophobicContact CD2-CG2 4.04Å; L126-V132 HydrophobicContact CD1-CG2 4.32Å; V132-L150 HydrophobicContact CG2-CB 4.27Å; V132-L150 HydrophobicContact CG2-CD1 3.96Å; V132-K151 PolarHBondContact N-O 2.75Å; V132-F152 HydrophobicContact CB-CD1 3.79Å; V132-F152 HydrophobicContact CB-CE1 3.76Å; V132-F152 HydrophobicContact CG1-CD1 3.94Å; V132-F152 HydrophobicContact CG1-CE1 3.74Å; V132-F152 HydrophobicContact CG2-CE1 4.3Å; V132-F152 WeakPolarHBondContact O-CA 3.27Å; V132-V153 PolarHBondContact O-N 3.27Å; V132-A187 CarbonylContact C-O 3.57Å; V132-A187 WeakPolarHBondContact CA-O 3.3Å; V132-A187 HydrophobicContact CG1-CB 4.34Å; V132-A187 HydrophobicContact CG2-CB 4.33Å; V132-I189 HydrophobicContact CG1-CD1 3.81Å; V132-I189 HydrophobicContact CG1-CG1 3.71Å
133G97Very high96.1Very high0 Ų029.9 Ų29.90%019%0.187CC..EExtended strand (participates in β ladder)trans-83.8114.4-177.400000113.6V153 Y185 A187 I188 I189G133-V153 CarbonylContact C-O 3.58Å; G133-V153 VanDerWaalsContact CA-O 3.29Å; G133-V153 WeakPolarHBondContact CA-O 3.32Å; G133-Y185 VanDerWaalsContact CA-CD1 3.41Å; G133-A187 PolarHBondContact N-O 3.21Å; G133-I188 WeakPolarHBondContact O-CA 3.16Å; G133-I189 PolarHBondContact O-N 3.42Å
134T95.7Very high96Very high2 Ų232 Ų321%0.01220%0.2CC..  trans-159.2139.6166.8176.80000110.7A136 R139 V140 F152 V153 I189T134-A136 PolarHBondContact OG1-N 3.03Å; T134-R139 HydrophobicContact CG2-CB 4.15Å; T134-R139 WeakPolarHBondContact OG1-CD 3.47Å; T134-V140 HydrophobicContact CG2-CG2 3.88Å; T134-F152 HydrophobicContact CG2-CD1 3.97Å; T134-V153 PolarHBondContact N-O 3.45Å; T134-I189 HydrophobicContact CG2-CG1 4.45Å
135S91.4Very high95.8Very high35 Ų3534.7 Ų34.725%0.24520%0.2CC..  trans-99.7-3175.2-57.90000113.3S154 I155S135-S154 PolarHBondContact OG-OG 3.32Å; S135-I155 VanDerWaalsContact OG-C 3.28Å; S135-I155 PolarHBondContact OG-N 3.11Å; S135-I155 PolarHBondContact OG-O 3.18Å
136A92Very high95.7Very high33 Ų3334.7 Ų34.727%0.27320%0.196SC..  trans-86.1119.1-176.400000110.5T134 R138 R139 V140T134-A136 PolarHBondContact OG1-N 3.03Å; A136-R138 VanDerWaalsContact C-N 3.29Å; A136-R138 PolarHBondContact O-N 3.46Å; A136-R139 HydrophobicContact CB-CB 4.18Å; A136-R139 HydrophobicContact CB-CG 3.96Å; A136-R139 PolarHBondContact O-N 2.88Å; A136-V140 PolarHBondContact O-N 3.42Å
137V91.9Very high95.6Very high28 Ų2835.2 Ų35.217%0.1720%0.198CC..Hα-helixtrans-56.9-42.7-178.6-165.20000111.4R139 V140 A141 P264 V291V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 2.89Å; V137-V140 PolarHBondContact O-N 3.39Å; V137-A141 PolarHBondContact O-N 3.39Å; V137-P264 HydrophobicContact CB-CG 4.45Å; V137-P264 HydrophobicContact CG1-CG 3.77Å; V137-V291 HydrophobicContact CG1-CG1 3.92Å; V137-V291 HydrophobicContact CG1-CG2 4.47Å
138R95Very high95.6Very high17 Ų1737.1 Ų37.16%0.06421%0.211CC..Hα-helixtrans-49.7-51.4171.8179.2-174.561.177.20.3112.5D110 A136 V140 A141 T142 F212 I265D110-R138 IonicContact OD1-NH2 3.57Å; D110-R138 IonicContact OD2-CZ 3.39Å; D110-R138 VanDerWaalsContact OD2-CZ 3.28Å; D110-R138 IonicContact OD2-NH1 3.99Å; D110-R138 PolarHBondContact OD2-NH1 3.15Å; D110-R138 IonicContact OD2-NH2 3.34Å; D110-R138 PolarHBondContact OD2-NH2 3.03Å; A136-R138 VanDerWaalsContact C-N 3.29Å; A136-R138 PolarHBondContact O-N 3.46Å; R138-V140 VanDerWaalsContact C-N 3.35Å; R138-V140 PolarHBondContact O-N 3.17Å; R138-A141 PolarHBondContact O-N 3.43Å; R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 3.49Å; R138-F212 PolarHBondContact NH1-O 3.45Å; R138-I265 WeakPolarHBondContact CD-O 3.48Å
139R96.3Very high95.5Very high16 Ų1632.7 Ų32.76%0.0619%0.186CC..Hα-helixtrans-66-40.4-177.7-66.9177.1178.6158.8-0.4111.1D110 T134 A136 V137 L143 I189 L190 A191D110-R139 VanDerWaalsContact CG-NE 3.3Å; D110-R139 IonicContact OD1-CZ 3.91Å; D110-R139 VanDerWaalsContact OD1-CZ 3.31Å; D110-R139 IonicContact OD1-NE 3.21Å; D110-R139 PolarHBondContact OD1-NE 3.19Å; D110-R139 VanDerWaalsContact OD1-NE 3.14Å; D110-R139 IonicContact OD1-NH2 3.67Å; D110-R139 PolarHBondContact OD1-NH2 2.94Å; D110-R139 IonicContact OD2-NE 2.71Å; D110-R139 PolarHBondContact OD2-NE 3.47Å; D110-R139 VanDerWaalsContact OD2-NE 3.11Å; T134-R139 HydrophobicContact CG2-CB 4.15Å; T134-R139 WeakPolarHBondContact OG1-CD 3.47Å; A136-R139 HydrophobicContact CB-CB 4.18Å; A136-R139 HydrophobicContact CB-CG 3.96Å; A136-R139 PolarHBondContact O-N 2.88Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 2.89Å; R139-L143 HydrophobicContact CB-CD1 4.37Å; R139-L143 WeakPolarHBondContact O-CB 3.27Å; R139-L143 WeakPolarHBondContact O-CG 3.37Å; R139-L143 PolarHBondContact O-N 3.09Å; R139-I189 HydrophobicContact CG-CG2 4.4Å; R139-I189 PolarHBondContact NH1-O 3.29Å; R139-L190 VanDerWaalsContact NH2-C 3.34Å; R139-A191 VanDerWaalsContact NH2-N 3.13Å
140V95.4Very high95.6Very high38 Ų3831.1 Ų31.123%0.2317%0.167CC..Hα-helixtrans-61.3-51.3176.41770000110.2T134 A136 V137 R138 T142 L143 T144 F152T134-V140 HydrophobicContact CG2-CG2 3.88Å; A136-V140 PolarHBondContact O-N 3.42Å; V137-V140 PolarHBondContact O-N 3.39Å; R138-V140 VanDerWaalsContact C-N 3.35Å; R138-V140 PolarHBondContact O-N 3.17Å; V140-T142 PolarHBondContact O-N 3.16Å; V140-L143 PolarHBondContact O-N 3.39Å; V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 3.42Å; V140-T144 PolarHBondContact O-OG1 3.04Å; V140-F152 HydrophobicContact CG1-CB 4.2Å; V140-F152 HydrophobicContact CG2-CB 4.15Å
141A95Very high95.6Very high0 Ų036.5 Ų36.50%019%0.19CC..Hα-helixtrans-59.8-49.3-179.700000112.1V137 R138 R145 P264 L289 S290 G293V137-A141 PolarHBondContact O-N 3.39Å; R138-A141 PolarHBondContact O-N 3.43Å; A141-R145 PolarHBondContact O-N 3.06Å; A141-P264 HydrophobicContact CB-CB 3.95Å; A141-P264 HydrophobicContact CB-CG 4.26Å; A141-L289 HydrophobicContact CB-CB 3.93Å; A141-L289 HydrophobicContact CB-CD2 4.33Å; A141-S290 WeakPolarHBondContact CB-O 3.47Å; A141-G293 WeakPolarHBondContact O-CA 3.31Å
142T95.9Very high95.5Very high19 Ų1937.1 Ų37.112%0.11719%0.19CC..Hα-helixtrans-64-45179.5-57.50000112.2R138 V140 K146R138-T142 WeakPolarHBondContact O-CB 3.47Å; R138-T142 PolarHBondContact O-N 3.4Å; R138-T142 PolarHBondContact O-OG1 3.49Å; V140-T142 PolarHBondContact O-N 3.16Å; T142-K146 PolarHBondContact O-N 3.36Å
143L96.6Very high95.4Very high3 Ų338.7 Ų38.72%0.01620%0.2CC..Hα-helixtrans-83.2-29.5-172.9-62.3173.3000113.2L123 R139 V140 R145 K146 Y147 F152 I189 L208L123-L143 HydrophobicContact CD1-CD2 4.32Å; R139-L143 HydrophobicContact CB-CD1 4.37Å; R139-L143 WeakPolarHBondContact O-CB 3.27Å; R139-L143 WeakPolarHBondContact O-CG 3.37Å; R139-L143 PolarHBondContact O-N 3.09Å; V140-L143 PolarHBondContact O-N 3.39Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-K146 PolarHBondContact O-N 2.85Å; L143-Y147 HydrophobicContact CB-CD2 4.35Å; L143-Y147 HydrophobicContact CD2-CD2 3.96Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 WeakPolarHBondContact O-CA 3.48Å; L143-Y147 WeakPolarHBondContact O-CB 3.45Å; L143-Y147 PolarHBondContact O-N 2.92Å; L143-F152 HydrophobicContact CB-CD1 4.49Å; L143-F152 HydrophobicContact CB-CE1 3.53Å; L143-F152 HydrophobicContact CB-CE2 4.12Å; L143-F152 HydrophobicContact CB-CZ 3.32Å; L143-F152 HydrophobicContact CD1-CE1 3.86Å; L143-F152 HydrophobicContact CD1-CZ 4.45Å; L143-F152 HydrophobicContact CG-CE1 4.36Å; L143-I189 HydrophobicContact CD1-CD1 3.94Å; L143-I189 HydrophobicContact CD1-CG1 3.69Å; L143-I189 HydrophobicContact CD1-CG2 4.35Å; L143-L208 HydrophobicContact CD1-CD1 4.45Å; L143-L208 HydrophobicContact CD2-CD1 4.03Å
144T95.3Very high95.2Very high44 Ų4441.6 Ų41.627%0.2722%0.22SC..Hα-helixtrans-62.7-42.7172.7-58.20000110.4V140 K146 Y147 P148 F152V140-T144 WeakPolarHBondContact O-CB 3.49Å; V140-T144 PolarHBondContact O-N 3.42Å; V140-T144 PolarHBondContact O-OG1 3.04Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.14Å; T144-Y147 CarbonylContact O-C 3.52Å; T144-P148 WeakPolarHBondContact O-CA 3.2Å; T144-F152 VanDerWaalsContact OG1-CD2 3.29Å; T144-F152 WeakPolarHBondContact OG1-CD2 3.27Å
145R94.2Very high95Very high122 Ų12241.6 Ų41.646%0.4622%0.22SC..Hα-helixtrans-59.6-41.2174.2-172.6-176.5-17591.21.4112.3A141 L143 G293 G294A141-R145 PolarHBondContact O-N 3.06Å; L143-R145 VanDerWaalsContact C-N 3.31Å; R145-G293 PolarHBondContact NH1-O 3.31Å; R145-G294 PolarHBondContact NH1-O 2.67Å
146K95.3Very high94.7Very high75 Ų7541.7 Ų41.733%0.32622%0.215SC..Hα-helixtrans-84.7-31.9-174.4-167.1176.1-178.1-160.50113.8T142 L143 T144 P148 D210T142-K146 PolarHBondContact O-N 3.36Å; L143-K146 PolarHBondContact O-N 2.85Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.14Å; K146-P148 VanDerWaalsContact C-CD 3.49Å; K146-D210 WeakPolarHBondContact CE-OD2 3.48Å; K146-D210 IonicContact NZ-OD1 3.2Å; K146-D210 PolarHBondContact NZ-OD1 3.42Å; K146-D210 IonicContact NZ-OD2 3.52Å; K146-D210 PolarHBondContact NZ-OD2 3.28Å
147Y96.6Very high94.5Very high18 Ų1840.6 Ų40.67%0.07121%0.207CC..  trans-130.366.1-175.6-54.5-74.8000110.2L123 L143 T144 H149 L150L123-Y147 HydrophobicContact CB-CD1 4.13Å; L123-Y147 HydrophobicContact CB-CD2 4.31Å; L123-Y147 HydrophobicContact CB-CE1 3.93Å; L123-Y147 HydrophobicContact CB-CE2 4.1Å; L123-Y147 HydrophobicContact CB-CG 4.33Å; L123-Y147 HydrophobicContact CD1-CD2 3.98Å; L123-Y147 HydrophobicContact CD1-CE2 3.66Å; L143-Y147 HydrophobicContact CB-CD2 4.35Å; L143-Y147 HydrophobicContact CD2-CD2 3.96Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 WeakPolarHBondContact O-CA 3.48Å; L143-Y147 WeakPolarHBondContact O-CB 3.45Å; L143-Y147 PolarHBondContact O-N 2.92Å; T144-Y147 CarbonylContact O-C 3.52Å; Y147-H149 PolarHBondContact O-N 2.72Å; Y147-L150 HydrophobicContact CG-CD1 4.05Å; Y147-L150 PolarHBondContact O-N 2.84Å
148P96.3Very high94.4Very high104 Ų10443.1 Ų43.168%0.67522%0.22SC*.THydrogen-bonded Turntrans-65.4-13.5-173.426.4-36.4000114.2T144 K146 L150T144-P148 WeakPolarHBondContact O-CA 3.2Å; K146-P148 VanDerWaalsContact C-CD 3.49Å; P148-L150 VanDerWaalsContact C-N 3.31Å
149H97.5Very high94.3Very high58 Ų5843.6 Ų43.627%0.26922%0.224SC..THydrogen-bonded Turntrans-81.2-8.8175.562-81.8000113.4I128 G129 Y147I128-H149 HydrophobicContact CG1-CB 4.14Å; I128-H149 HydrophobicContact CG2-CB 4.48Å; G129-H149 PolarHBondContact N-O 3.23Å; Y147-H149 PolarHBondContact O-N 2.72Å
150L98Very high94.2Very high12 Ų1246.1 Ų46.16%0.06324%0.238CC..SBendtrans-98.9149.5-178.1-57.1-179.4000111.5L123 L126 V132 Y147 P148 F152L123-L150 HydrophobicContact CB-CD1 4.04Å; L123-L150 HydrophobicContact CD2-CD1 4.06Å; L126-L150 HydrophobicContact CB-CD2 3.8Å; L126-L150 HydrophobicContact CD1-CD2 4.28Å; V132-L150 HydrophobicContact CG2-CB 4.27Å; V132-L150 HydrophobicContact CG2-CD1 3.96Å; Y147-L150 HydrophobicContact CG-CD1 4.05Å; Y147-L150 PolarHBondContact O-N 2.84Å; P148-L150 VanDerWaalsContact C-N 3.31Å; L150-F152 HydrophobicContact CB-CE2 4.05Å; L150-F152 HydrophobicContact CB-CZ 4.13Å; L150-F152 HydrophobicContact CD1-CZ 4.47Å
151K97Very high94Very high121 Ų12147 Ų4753%0.52624%0.244SC..EExtended strand (participates in β ladder)trans-102.2120175.3-177.2-174.4177.5-178.20109.8S130 T131 V132 V153S130-K151 PolarHBondContact O-N 3.44Å; T131-K151 CarbonylContact C-O 3.58Å; T131-K151 WeakPolarHBondContact CA-O 3.44Å; V132-K151 PolarHBondContact N-O 2.75Å; K151-V153 HydrophobicContact CD-CG2 4.15Å; K151-V153 HydrophobicContact CG-CG2 4.06Å
152F95.9Very high94Very high34 Ų3449.2 Ų49.215%0.14925%0.252CS..EExtended strand (participates in β ladder)trans-93.1124.7176.8-63.9-85.7000111.1V132 T134 V140 L143 T144 L150V132-F152 HydrophobicContact CB-CD1 3.79Å; V132-F152 HydrophobicContact CB-CE1 3.76Å; V132-F152 HydrophobicContact CG1-CD1 3.94Å; V132-F152 HydrophobicContact CG1-CE1 3.74Å; V132-F152 HydrophobicContact CG2-CE1 4.3Å; V132-F152 WeakPolarHBondContact O-CA 3.27Å; T134-F152 HydrophobicContact CG2-CD1 3.97Å; V140-F152 HydrophobicContact CG1-CB 4.2Å; V140-F152 HydrophobicContact CG2-CB 4.15Å; L143-F152 HydrophobicContact CB-CD1 4.49Å; L143-F152 HydrophobicContact CB-CE1 3.53Å; L143-F152 HydrophobicContact CB-CE2 4.12Å; L143-F152 HydrophobicContact CB-CZ 3.32Å; L143-F152 HydrophobicContact CD1-CE1 3.86Å; L143-F152 HydrophobicContact CD1-CZ 4.45Å; L143-F152 HydrophobicContact CG-CE1 4.36Å; T144-F152 VanDerWaalsContact OG1-CD2 3.29Å; T144-F152 WeakPolarHBondContact OG1-CD2 3.27Å; L150-F152 HydrophobicContact CB-CE2 4.05Å; L150-F152 HydrophobicContact CB-CZ 4.13Å; L150-F152 HydrophobicContact CD1-CZ 4.47Å
153V95Very high94Very high34 Ų3449.3 Ų49.321%0.20625%0.252CS..EExtended strand (participates in β ladder)trans-124.3139.4-178.1178.40000109.8T131 V132 G133 T134 K151 P183 Y185T131-V153 HydrophobicContact CG2-CB 3.88Å; T131-V153 HydrophobicContact CG2-CG2 3.61Å; V132-V153 PolarHBondContact O-N 3.27Å; G133-V153 CarbonylContact C-O 3.58Å; G133-V153 VanDerWaalsContact CA-O 3.29Å; G133-V153 WeakPolarHBondContact CA-O 3.32Å; T134-V153 PolarHBondContact N-O 3.45Å; K151-V153 HydrophobicContact CD-CG2 4.15Å; K151-V153 HydrophobicContact CG-CG2 4.06Å; V153-P183 HydrophobicContact CG1-CB 4.33Å; V153-P183 HydrophobicContact CG1-CG 4.05Å; V153-Y185 HydrophobicContact CB-CE1 4.18Å; V153-Y185 HydrophobicContact CG1-CE1 4.17Å
154S92.9Very high93.9Very high61 Ų6151.8 Ų51.843%0.42727%0.272SS..  trans-57.9139176.9-178.10000111.1S135 Y185S135-S154 PolarHBondContact OG-OG 3.32Å; S154-Y185 PolarHBondContact O-OH 2.91Å
155I92.1Very high93.9Very high1 Ų152.5 Ų52.51%0.00527%0.272CS..  trans-133120.7172.9-166.9178.3000110.2S135 R162 K165 Y185 I188S135-I155 VanDerWaalsContact OG-C 3.28Å; S135-I155 PolarHBondContact OG-N 3.11Å; S135-I155 PolarHBondContact OG-O 3.18Å; I155-R162 HydrophobicContact CD1-CB 3.89Å; I155-R162 HydrophobicContact CD1-CG 4.04Å; I155-R162 HydrophobicContact CG1-CB 4.46Å; I155-R162 HydrophobicContact CG1-CG 4.07Å; I155-K165 HydrophobicContact CD1-CB 4.11Å; I155-K165 HydrophobicContact CD1-CD 4.3Å; I155-K165 HydrophobicContact CG1-CD 4.05Å; I155-Y185 HydrophobicContact CB-CE1 3.98Å; I155-Y185 HydrophobicContact CB-CE2 4.39Å; I155-Y185 WeakPolarHBondContact CB-OH 3.31Å; I155-Y185 HydrophobicContact CD1-CD2 4Å; I155-Y185 HydrophobicContact CD1-CE1 4.41Å; I155-Y185 HydrophobicContact CD1-CE2 3.72Å; I155-Y185 HydrophobicContact CD1-CG 4.46Å; I155-Y185 HydrophobicContact CG1-CE1 4.34Å; I155-Y185 HydrophobicContact CG1-CE2 3.85Å; I155-I188 HydrophobicContact CD1-CG2 3.61Å
156R85.7Confident94Very high37 Ų3746.8 Ų46.814%0.1425%0.25CS..  trans-108.7160.7-176.3-60.3-68.1-68.7158.3-3.5111.9I52 L53 V55 K165I52-R156 PolarHBondContact O-NH2 3.25Å; L53-R156 PolarHBondContact O-NE 3.21Å; V55-R156 PolarHBondContact O-NH2 3.34Å; R156-K165 PolarHBondContact O-NZ 3.21Å
157G87Confident94Very high11 Ų1145.9 Ų45.911%0.11325%0.249CC..SBendtrans109.4170.6-175.600000112.8R162G157-R162 PolarHBondContact O-NE 3.23Å; G157-R162 PolarHBondContact O-NH2 3.11Å
158N89.1Confident93.7Very high81 Ų8149 Ų4943%0.43327%0.27SS..  trans-70.2175.7170.46431000111.2N160 T161 R162N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 2.95Å; N158-N160 PolarHBondContact OD1-N 2.9Å; N158-T161 PolarHBondContact O-N 2.78Å; N158-T161 PolarHBondContact OD1-N 2.78Å; N158-T161 PolarHBondContact OD1-OG1 3.38Å; N158-R162 WeakPolarHBondContact O-CG 3.5Å; N158-R162 PolarHBondContact O-N 3.47Å
159L93.6Very high92.8Very high27 Ų2749 Ų4914%0.14127%0.27CS..Hα-helixtrans-54.4-43.7-178.1-71.7-176.7000113L19 T161 R162 L163 L190 M198 W200L19-L159 HydrophobicContact CB-CD1 4.45Å; L19-L159 HydrophobicContact CD1-CD1 4.42Å; L19-L159 HydrophobicContact CD2-CD1 3.81Å; L19-L159 HydrophobicContact CG-CD1 4.44Å; L159-T161 PolarHBondContact O-N 3.43Å; L159-R162 PolarHBondContact O-N 2.89Å; L159-L163 WeakPolarHBondContact O-CB 3.49Å; L159-L163 PolarHBondContact O-N 3.34Å; L159-L190 HydrophobicContact CD2-CD1 4.02Å; L159-L190 HydrophobicContact CD2-CD2 3.79Å; L159-L190 HydrophobicContact CD2-CG 4.42Å; L159-M198 HydrophobicContact CD1-CG 3.66Å; L159-M198 HydrophobicContact CD1-SD 4.45Å; L159-W200 HydrophobicContact CB-CH2 3.83Å; L159-W200 HydrophobicContact CB-CZ3 3.75Å
160N93.6Very high91.4Very high68 Ų6850 Ų5036%0.36428%0.281SS..Hα-helixtrans-60.9-45.9179.1-62.5-18.3000111.5N158 R162 L163 A164 M198 W200N158-N160 VanDerWaalsContact C-N 3.3Å; N158-N160 PolarHBondContact O-N 2.95Å; N158-N160 PolarHBondContact OD1-N 2.9Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 3.09Å; N160-L163 PolarHBondContact O-N 2.69Å; N160-A164 WeakPolarHBondContact O-CB 3.21Å; N160-A164 PolarHBondContact O-N 3.06Å; N160-M198 WeakPolarHBondContact OD1-CE 3.37Å; N160-W200 VanDerWaalsContact OD1-CH2 3.29Å; N160-W200 WeakPolarHBondContact OD1-CH2 3.43Å; N160-W200 WeakPolarHBondContact OD1-CZ2 3.44Å
161T92.3Very high89.9Confident56 Ų5652.7 Ų52.734%0.34431%0.306SS..Hα-helixtrans-63.7-40.5179.5-51.60000111.2N158 L159 A164 K165N158-T161 PolarHBondContact O-N 2.78Å; N158-T161 PolarHBondContact OD1-N 2.78Å; N158-T161 PolarHBondContact OD1-OG1 3.38Å; L159-T161 PolarHBondContact O-N 3.43Å; T161-A164 PolarHBondContact O-N 2.93Å; T161-K165 HydrophobicContact CG2-CD 4.45Å; T161-K165 WeakPolarHBondContact O-CG 3.25Å; T161-K165 PolarHBondContact O-N 3.46Å
162R94.8Very high87.7Confident48 Ų4850 Ų5018%0.18130%0.303CS..Hα-helixtrans-68.3-40178.8-66.1-177.3-165.1-165.45.9111.9I155 G157 N158 L159 N160 K165 L166 I188I155-R162 HydrophobicContact CD1-CB 3.89Å; I155-R162 HydrophobicContact CD1-CG 4.04Å; I155-R162 HydrophobicContact CG1-CB 4.46Å; I155-R162 HydrophobicContact CG1-CG 4.07Å; G157-R162 PolarHBondContact O-NE 3.23Å; G157-R162 PolarHBondContact O-NH2 3.11Å; N158-R162 WeakPolarHBondContact O-CG 3.5Å; N158-R162 PolarHBondContact O-N 3.47Å; L159-R162 PolarHBondContact O-N 2.89Å; N160-R162 VanDerWaalsContact C-N 3.32Å; N160-R162 PolarHBondContact O-N 3.09Å; R162-K165 PolarHBondContact O-N 3.01Å; R162-L166 PolarHBondContact O-N 2.97Å; R162-I188 HydrophobicContact CB-CD1 4.27Å
163L96.1Very high85.4Confident21 Ų2158.1 Ų58.111%0.1134%0.338CS..Hα-helixtrans-64.3-44.7175.5-167.963.4000111.1L113 L159 N160 K165 L166 D167 W200 R203L113-L163 HydrophobicContact CD2-CD1 3.68Å; L159-L163 WeakPolarHBondContact O-CB 3.49Å; L159-L163 PolarHBondContact O-N 3.34Å; N160-L163 PolarHBondContact O-N 2.69Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 2.88Å; L163-L166 HydrophobicContact CD1-CD2 4.25Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 3.41Å; L163-L166 VanDerWaalsContact O-N 3.15Å; L163-D167 PolarHBondContact O-N 3.38Å; L163-W200 HydrophobicContact CB-CH2 4.09Å; L163-W200 HydrophobicContact CB-CZ3 4.02Å; L163-W200 HydrophobicContact CD2-CD2 4.01Å; L163-W200 HydrophobicContact CD2-CE3 3.89Å; L163-W200 HydrophobicContact CD2-CH2 3.77Å; L163-W200 HydrophobicContact CD2-CZ2 3.9Å; L163-W200 HydrophobicContact CD2-CZ3 3.76Å; L163-W200 HydrophobicContact CG-CZ3 4.38Å; L163-R203 VanDerWaalsContact CD1-NH1 3.3Å
164A94.7Very high83.1Confident54 Ų5463 Ų6345%0.44636%0.362SS..Hα-helixtrans-59.8-41.5175.800000112.1N160 T161 L166 D167 T168N160-A164 WeakPolarHBondContact O-CB 3.21Å; N160-A164 PolarHBondContact O-N 3.06Å; T161-A164 PolarHBondContact O-N 2.93Å; A164-L166 VanDerWaalsContact C-N 3.34Å; A164-L166 PolarHBondContact O-N 3.22Å; A164-D167 PolarHBondContact O-N 3.25Å; A164-T168 WeakPolarHBondContact O-CB 3.38Å; A164-T168 PolarHBondContact O-N 3.29Å; A164-T168 PolarHBondContact O-OG1 2.86Å
165K94.6Very high80.8Confident60 Ų6065.6 Ų65.626%0.26137%0.372SS..Hα-helixtrans-63.6-36.4175.1-75.9174.6179.61800113.3I155 R156 T161 R162 L163 Y185I155-K165 HydrophobicContact CD1-CB 4.11Å; I155-K165 HydrophobicContact CD1-CD 4.3Å; I155-K165 HydrophobicContact CG1-CD 4.05Å; R156-K165 PolarHBondContact O-NZ 3.21Å; T161-K165 HydrophobicContact CG2-CD 4.45Å; T161-K165 WeakPolarHBondContact O-CG 3.25Å; T161-K165 PolarHBondContact O-N 3.46Å; R162-K165 PolarHBondContact O-N 3.01Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 2.88Å; K165-Y185 HydrophobicContact CB-CD2 4.26Å; K165-Y185 HydrophobicContact CB-CE2 4.14Å
166L96.5Very high78.4Confident2 Ų270 Ų701%0.0140%0.402CS..Hα-helixtrans-67.7-39.8174.3176.174.2000111.7L113 A115 R162 L163 A164 I188L113-L166 HydrophobicContact CB-CD2 3.8Å; A115-L166 HydrophobicContact CB-CD1 4.02Å; R162-L166 PolarHBondContact O-N 2.97Å; L163-L166 HydrophobicContact CD1-CD2 4.25Å; L163-L166 WeakPolarHBondContact O-CB 3.49Å; L163-L166 PolarHBondContact O-N 3.41Å; L163-L166 VanDerWaalsContact O-N 3.15Å; A164-L166 VanDerWaalsContact C-N 3.34Å; A164-L166 PolarHBondContact O-N 3.22Å; L166-I188 HydrophobicContact CB-CD1 4.13Å; L166-I188 HydrophobicContact CB-CG2 4.23Å; L166-I188 HydrophobicContact CD1-CG1 4.42Å; L166-I188 HydrophobicContact CD1-CG2 4.04Å; L166-I188 HydrophobicContact CD2-CD1 3.99Å; L166-I188 HydrophobicContact CD2-CG1 3.92Å
167D95.9Very high76.4Confident55 Ų5574 Ų7429%0.29443%0.434SS..Hα-helixtrans-83.9-13.5-175.8-66.6-19.9000112.8P116 L163 A164 P169 R203P116-D167 HydrophobicContact CG-CB 4.33Å; L163-D167 PolarHBondContact O-N 3.38Å; A164-D167 PolarHBondContact O-N 3.25Å; D167-P169 WeakPolarHBondContact O-CD 3.46Å; D167-R203 IonicContact OD1-CZ 3.61Å; D167-R203 IonicContact OD1-NH1 3.88Å; D167-R203 PolarHBondContact OD1-NH1 3.09Å; D167-R203 IonicContact OD1-NH2 2.74Å; D167-R203 PolarHBondContact OD1-NH2 3.26Å; D167-R203 IonicContact OD2-CZ 3.45Å; D167-R203 IonicContact OD2-NH1 2.73Å; D167-R203 PolarHBondContact OD2-NH1 3.44Å; D167-R203 IonicContact OD2-NH2 3.52Å
168T90.4Very high74.4Confident85 Ų8578 Ų7852%0.52146%0.46SS..SBendtrans-69.3122.6175.6-60.30000109.3A164A164-T168 WeakPolarHBondContact O-CB 3.38Å; A164-T168 PolarHBondContact O-N 3.29Å; A164-T168 PolarHBondContact O-OG1 2.86Å
169P77Confident72.6Confident103 Ų10377.9 Ų77.967%0.66948%0.478SS*.PPolyproline II helixtrans-58.3153.9176.2-22.532.8000111.4D167 A171D167-P169 WeakPolarHBondContact O-CD 3.46Å; P169-A171 PolarHBondContact O-N 2.81Å; P169-A171 VanDerWaalsContact O-N 3.13Å
170P68.4Low70.5Confident78 Ų7883.6 Ų83.651%0.50651%0.509SS..PPolyproline II helixtrans-52.7126.7169.4-15.324.8000108.5S172P170-S172 PolarHBondContact O-N 2.73Å
171A65.5Low68.8Low70 Ų7085.2 Ų85.258%0.57952%0.523SS*.PPolyproline II helixtrans-53.5131.2164.400000106.7P169 K173 N175P169-A171 PolarHBondContact O-N 2.81Å; P169-A171 VanDerWaalsContact O-N 3.13Å; A171-K173 PolarHBondContact O-N 3.11Å; A171-N175 HydrophobicContact CB-CB 4.45Å
172S50.2Low67.5Low65 Ų6587 Ų8746%0.45554%0.538SS..PPolyproline II helixtrans-49.6141168.358.50000107.3P170 D174 N175P170-S172 PolarHBondContact O-N 2.73Å; S172-D174 PolarHBondContact O-N 2.86Å; S172-N175 PolarHBondContact O-N 3.44Å
173K49Very low66.6Low204 Ų20487.6 Ų87.689%0.88755%0.548SS*.THydrogen-bonded Turntrans-52.3-16.5179.6-75.3-178.2175.5178.40112.9A171A171-K173 PolarHBondContact O-N 3.11Å
174D46.4Very low66.3Low135 Ų13588.4 Ų88.472%0.72256%0.555SS**THydrogen-bonded Turntrans-82.6-10.7179.5-53.7-39.2000115.1S172 C176S172-D174 PolarHBondContact O-N 2.86Å; D174-C176 VanDerWaalsContact C-N 3.25Å; D174-C176 PolarHBondContact O-N 3.29Å
175N44.4Very low66.4Low116 Ų11686.2 Ų86.262%0.6254%0.535SS*.  trans-91.240.8176.2-95.7-8000113.1A171 S172 C177A171-N175 HydrophobicContact CB-CB 4.45Å; S172-N175 PolarHBondContact O-N 3.44Å; N175-C177 PolarHBondContact O-N 3.06Å
176C41.4Very low66.5Low94 Ų9484.6 Ų84.664%0.63553%0.529SS*.THydrogen-bonded Turntrans-71.5-6.2179.159.50000114.4D174 S178D174-C176 VanDerWaalsContact C-N 3.25Å; D174-C176 PolarHBondContact O-N 3.29Å; C176-S178 PolarHBondContact O-N 2.87Å
177C42.7Very low66.6Low122 Ų12284.5 Ų84.582%0.82453%0.529SS*.THydrogen-bonded Turntrans-84.4-0.7-173.5-58.40000115.6N175N175-C177 PolarHBondContact O-N 3.06Å
178S46.8Very low66.7Low94 Ų9481.9 Ų81.966%0.65752%0.515SS*.SBendtrans-99.9112166.9-152.50000108.2C176 N180C176-S178 PolarHBondContact O-N 2.87Å; S178-N180 PolarHBondContact O-N 3.16Å
179G49.7Very low67.1Low79 Ų7977.8 Ų77.881%0.81449%0.49SS*.SBendtrans-6322.6-162.600000118.4
180N49.5Very low68.1Low147 Ų14773 Ų7379%0.78646%0.459SS*.SBendtrans-158.484.3166.3-116-33.6000109.5S178 S182S178-N180 PolarHBondContact O-N 3.16Å; N180-S182 PolarHBondContact O-N 3.26Å; N180-S182 VanDerWaalsContact O-N 3.1Å
181P58Low69.5Low102 Ų10269.8 Ų69.866%0.66244%0.439SS*.PPolyproline II helixtrans-63117.5173.623.8-30000108.8
182S65.7Low71.1Confident93 Ų9368.5 Ų68.565%0.6542%0.42SS*.PPolyproline II helixtrans-62.5135.6169.6-720000108.7N180 S184N180-S182 PolarHBondContact O-N 3.26Å; N180-S182 VanDerWaalsContact O-N 3.1Å; S182-S184 PolarHBondContact O-N 3.29Å
183P75.7Confident73.3Confident60 Ų6065.5 Ų65.539%0.3940%0.399SS..PPolyproline II helixtrans-61.6138.3176.326.5-34000109.9V153 Y185V153-P183 HydrophobicContact CG1-CB 4.33Å; V153-P183 HydrophobicContact CG1-CG 4.05Å; P183-Y185 HydrophobicContact CG-CE1 4.2Å; P183-Y185 HydrophobicContact CG-CE2 4.06Å; P183-Y185 WeakPolarHBondContact CG-OH 3.44Å; P183-Y185 WeakPolarHBondContact O-CD2 3.49Å; P183-Y185 VanDerWaalsContact O-CE2 3.32Å; P183-Y185 WeakPolarHBondContact O-CE2 3.45Å
184S89.6Confident75.6Confident38 Ų3856.2 Ų56.227%0.26636%0.361SS..PPolyproline II helixtrans-73.4135.2166.7-173.60000108.9T131 S182T131-S184 WeakPolarHBondContact CG2-O 3.49Å; S182-S184 PolarHBondContact O-N 3.29Å
185Y96.3Very high78.1Confident9 Ų949.8 Ų49.84%0.03533%0.327CS..  trans-110.3132.6178-58.9-83.1000109.7A115 T131 G133 V153 S154 I155 K165 P183 I188A115-Y185 WeakPolarHBondContact CB-O 3.29Å; T131-Y185 HydrophobicContact CG2-CD1 4.01Å; G133-Y185 VanDerWaalsContact CA-CD1 3.41Å; V153-Y185 HydrophobicContact CB-CE1 4.18Å; V153-Y185 HydrophobicContact CG1-CE1 4.17Å; S154-Y185 PolarHBondContact O-OH 2.91Å; I155-Y185 HydrophobicContact CB-CE1 3.98Å; I155-Y185 HydrophobicContact CB-CE2 4.39Å; I155-Y185 WeakPolarHBondContact CB-OH 3.31Å; I155-Y185 HydrophobicContact CD1-CD2 4Å; I155-Y185 HydrophobicContact CD1-CE1 4.41Å; I155-Y185 HydrophobicContact CD1-CE2 3.72Å; I155-Y185 HydrophobicContact CD1-CG 4.46Å; I155-Y185 HydrophobicContact CG1-CE1 4.34Å; I155-Y185 HydrophobicContact CG1-CE2 3.85Å; K165-Y185 HydrophobicContact CB-CD2 4.26Å; K165-Y185 HydrophobicContact CB-CE2 4.14Å; P183-Y185 HydrophobicContact CG-CE1 4.2Å; P183-Y185 HydrophobicContact CG-CE2 4.06Å; P183-Y185 WeakPolarHBondContact CG-OH 3.44Å; P183-Y185 WeakPolarHBondContact O-CD2 3.49Å; P183-Y185 VanDerWaalsContact O-CE2 3.32Å; P183-Y185 WeakPolarHBondContact O-CE2 3.45Å; Y185-I188 HydrophobicContact CG-CG2 4.38Å
186D97.5Very high80.7Confident25 Ų2547.6 Ų47.613%0.13431%0.313CS..SBendtrans-86.1-25.3174.5-57.6-52.8000111.3A115 H117 Y118 L126 S130 T131A115-D186 WeakPolarHBondContact CB-O 3.29Å; A115-D186 PolarHBondContact N-O 3.19Å; H117-D186 IonicContact NE2-OD1 2.59Å; Y118-D186 HydrophobicContact CD2-CB 3.92Å; Y118-D186 HydrophobicContact CE2-CB 3.87Å; L126-D186 HydrophobicContact CD2-CB 4.49Å; S130-D186 VanDerWaalsContact CA-OD2 3.26Å; S130-D186 WeakPolarHBondContact CA-OD2 2.87Å; S130-D186 WeakPolarHBondContact CB-OD2 3.43Å; T131-D186 PolarHBondContact N-OD2 3.5Å; T131-D186 PolarHBondContact O-N 3.22Å
187A98.4Very high83.3Confident0 Ų044.8 Ų44.80%029%0.289CS..EExtended strand (participates in β ladder)trans-153.3161.6171.800000111V112 L113 M114 L123 L126 T131 V132 G133V112-A187 HydrophobicContact CG1-CB 3.86Å; L113-A187 CarbonylContact O-C 3.52Å; L113-A187 VanDerWaalsContact O-CA 3.26Å; L113-A187 WeakPolarHBondContact O-CA 3.43Å; M114-A187 HydrophobicContact SD-CB 3.6Å; L123-A187 HydrophobicContact CD2-CB 4.2Å; L126-A187 HydrophobicContact CD1-CB 4.2Å; T131-A187 PolarHBondContact O-N 3.43Å; V132-A187 CarbonylContact C-O 3.57Å; V132-A187 WeakPolarHBondContact CA-O 3.3Å; V132-A187 HydrophobicContact CG1-CB 4.34Å; V132-A187 HydrophobicContact CG2-CB 4.33Å; G133-A187 PolarHBondContact N-O 3.21Å
188I98.4Very high85.9Confident0 Ų040 Ų400%026%0.255CS..EExtended strand (participates in β ladder)trans-130.3151.8166.463179.2000110.8L113 G133 I155 R162 L166 Y185 L190L113-I188 HydrophobicContact CB-CD1 4.46Å; L113-I188 HydrophobicContact CB-CG1 3.9Å; L113-I188 HydrophobicContact CD2-CD1 4.49Å; L113-I188 PolarHBondContact N-O 2.88Å; L113-I188 PolarHBondContact O-N 2.85Å; G133-I188 WeakPolarHBondContact O-CA 3.16Å; I155-I188 HydrophobicContact CD1-CG2 3.61Å; R162-I188 HydrophobicContact CB-CD1 4.27Å; L166-I188 HydrophobicContact CB-CD1 4.13Å; L166-I188 HydrophobicContact CB-CG2 4.23Å; L166-I188 HydrophobicContact CD1-CG1 4.42Å; L166-I188 HydrophobicContact CD1-CG2 4.04Å; L166-I188 HydrophobicContact CD2-CD1 3.99Å; L166-I188 HydrophobicContact CD2-CG1 3.92Å; Y185-I188 HydrophobicContact CG-CG2 4.38Å; I188-L190 HydrophobicContact CD1-CD1 3.82Å; I188-L190 HydrophobicContact CD1-CD2 4.49Å; I188-L190 HydrophobicContact CD1-CG 4.13Å; I188-L190 HydrophobicContact CG1-CD1 4.35Å; I188-L190 HydrophobicContact CG1-CG 4.28Å
189I98.6Very high88.3Confident0 Ų037.9 Ų37.90%025%0.248CC..EExtended strand (participates in β ladder)trans-107123.3177.3-44.7-62.9000110.1D110 V111 V112 L123 V132 G133 T134 R139 L143 L208D110-I189 HydrophobicContact CB-CG2 4.03Å; V111-I189 WeakPolarHBondContact O-CA 3.27Å; V112-I189 HydrophobicContact CB-CD1 4.33Å; V112-I189 HydrophobicContact CG1-CD1 4.18Å; V112-I189 HydrophobicContact CG2-CD1 3.82Å; L123-I189 HydrophobicContact CD1-CD1 4.13Å; L123-I189 HydrophobicContact CD2-CD1 4.43Å; V132-I189 HydrophobicContact CG1-CD1 3.81Å; V132-I189 HydrophobicContact CG1-CG1 3.71Å; G133-I189 PolarHBondContact O-N 3.42Å; T134-I189 HydrophobicContact CG2-CG1 4.45Å; R139-I189 HydrophobicContact CG-CG2 4.4Å; R139-I189 PolarHBondContact NH1-O 3.29Å; L143-I189 HydrophobicContact CD1-CD1 3.94Å; L143-I189 HydrophobicContact CD1-CG1 3.69Å; L143-I189 HydrophobicContact CD1-CG2 4.35Å; I189-L208 HydrophobicContact CG2-CD1 4.2Å
190L98.1Very high90.6Very high3 Ų335.9 Ų35.92%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-128.7163-178.8-62.8177.9000111.1D110 V111 L113 R139 L159 I188 V195D110-L190 CarbonylContact C-O 3.23Å; D110-L190 WeakPolarHBondContact CA-O 3.43Å; V111-L190 HydrophobicContact CG2-CB 4.36Å; V111-L190 WeakPolarHBondContact CG2-O 3.29Å; V111-L190 PolarHBondContact N-O 3.17Å; V111-L190 PolarHBondContact O-N 3.47Å; L113-L190 HydrophobicContact CD1-CD1 4.25Å; L113-L190 HydrophobicContact CD2-CD1 3.9Å; R139-L190 VanDerWaalsContact NH2-C 3.34Å; L159-L190 HydrophobicContact CD2-CD1 4.02Å; L159-L190 HydrophobicContact CD2-CD2 3.79Å; L159-L190 HydrophobicContact CD2-CG 4.42Å; I188-L190 HydrophobicContact CD1-CD1 3.82Å; I188-L190 HydrophobicContact CD1-CD2 4.49Å; I188-L190 HydrophobicContact CD1-CG 4.13Å; I188-L190 HydrophobicContact CG1-CD1 4.35Å; I188-L190 HydrophobicContact CG1-CG 4.28Å; L190-V195 HydrophobicContact CB-CG2 3.72Å; L190-V195 HydrophobicContact CD1-CG2 3.84Å; L190-V195 HydrophobicContact CG-CG2 4.47Å
191A97.7Very high92.9Very high10 Ų1031.9 Ų31.98%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-77.3129.5171.100000108.2R139 A193 G194 V195 Q217R139-A191 VanDerWaalsContact NH2-N 3.13Å; A191-A193 VanDerWaalsContact C-N 3.25Å; A191-A193 PolarHBondContact O-N 2.94Å; A191-G194 PolarHBondContact O-N 3.47Å; A191-V195 PolarHBondContact O-N 3.36Å; A191-Q217 VanDerWaalsContact CB-CD 3.44Å; A191-Q217 HydrophobicContact CB-CG 4Å; A191-Q217 VanDerWaalsContact CB-OE1 3.31Å
192K98.5Very high94.8Very high42 Ų4233.2 Ų33.218%0.18320%0.196CC..Hα-helixtrans-54.5-44.7-179.3-174.5167.7158-156.60111.8S107 E109 V111 G194 V195 E196 I204 V207S107-K192 VanDerWaalsContact OG-CD 3.31Å; S107-K192 WeakPolarHBondContact OG-CD 3.44Å; S107-K192 WeakPolarHBondContact OG-CE 3.49Å; S107-K192 PolarHBondContact OG-NZ 3.22Å; E109-K192 VanDerWaalsContact O-CB 3.27Å; E109-K192 WeakPolarHBondContact O-CB 3.26Å; E109-K192 PolarHBondContact O-N 3.4Å; V111-K192 HydrophobicContact CG1-CB 3.66Å; V111-K192 HydrophobicContact CG1-CD 3.89Å; V111-K192 HydrophobicContact CG1-CG 3.79Å; V111-K192 HydrophobicContact CG2-CB 4.29Å; K192-G194 VanDerWaalsContact C-N 3.27Å; K192-G194 PolarHBondContact O-N 3.17Å; K192-V195 WeakPolarHBondContact O-CB 3.12Å; K192-V195 PolarHBondContact O-N 3.45Å; K192-E196 WeakPolarHBondContact CE-OE1 3.25Å; K192-E196 HydrophobicContact CG-CG 4.05Å; K192-E196 IonicContact NZ-OE1 2.99Å; K192-E196 PolarHBondContact O-N 2.9Å; K192-I204 HydrophobicContact CG-CD1 4.17Å; K192-V207 HydrophobicContact CD-CG1 4.3Å
193A97.8Very high96.4Very high3 Ų329.9 Ų29.93%0.02517%0.169CC..Hα-helixtrans-49.4-44.2175.900000114.1V106 A191 R197V106-A193 HydrophobicContact CG2-CB 3.42Å; V106-A193 VanDerWaalsContact CG2-CB 3.42Å; A191-A193 VanDerWaalsContact C-N 3.25Å; A191-A193 PolarHBondContact O-N 2.94Å; A193-R197 WeakPolarHBondContact O-CB 3.22Å; A193-R197 WeakPolarHBondContact O-CD 3.46Å; A193-R197 WeakPolarHBondContact O-CG 3.22Å; A193-R197 PolarHBondContact O-N 3.35Å; A193-R197 VanDerWaalsContact O-N 3.12Å
194G96.9Very high97.5Very high8 Ų828.7 Ų28.78%0.08216%0.159CC..Hα-helixtrans-70.7-38.5179.200000112.2A191 K192 M198A191-G194 PolarHBondContact O-N 3.47Å; K192-G194 VanDerWaalsContact C-N 3.27Å; K192-G194 PolarHBondContact O-N 3.17Å; G194-M198 WeakPolarHBondContact O-CG 3.43Å; G194-M198 PolarHBondContact O-N 3.49Å
195V98.3Very high97.9Very high0 Ų028.2 Ų28.20%015%0.154CC..Hα-helixtrans-66.3-46.2178.6177.40000110.8V111 L113 L190 A191 K192 M198 G199 W200 I204V111-V195 HydrophobicContact CG2-CB 4.42Å; V111-V195 HydrophobicContact CG2-CG2 3.88Å; L113-V195 HydrophobicContact CD1-CG1 4.4Å; L113-V195 HydrophobicContact CD1-CG2 4.11Å; L190-V195 HydrophobicContact CB-CG2 3.72Å; L190-V195 HydrophobicContact CD1-CG2 3.84Å; L190-V195 HydrophobicContact CG-CG2 4.47Å; A191-V195 PolarHBondContact O-N 3.36Å; K192-V195 WeakPolarHBondContact O-CB 3.12Å; K192-V195 PolarHBondContact O-N 3.45Å; V195-M198 PolarHBondContact O-N 3.42Å; V195-G199 PolarHBondContact O-N 3.03Å; V195-W200 HydrophobicContact CG1-CB 3.65Å; V195-W200 WeakPolarHBondContact CG1-O 3.38Å; V195-W200 WeakPolarHBondContact O-CB 3.37Å; V195-W200 PolarHBondContact O-N 2.91Å; V195-I204 HydrophobicContact CG1-CD1 3.97Å; V195-I204 HydrophobicContact CG1-CG1 3.69Å
196E98.2Very high98Very high70 Ų7029 Ų2933%0.32716%0.158SC..Hα-helixtrans-67.5-41.6179.7-68.2-176144.500112.2K192 M198 G199 I204K192-E196 WeakPolarHBondContact CE-OE1 3.25Å; K192-E196 HydrophobicContact CG-CG 4.05Å; K192-E196 IonicContact NZ-OE1 2.99Å; K192-E196 PolarHBondContact O-N 2.9Å; E196-M198 PolarHBondContact O-N 3.25Å; E196-G199 PolarHBondContact O-N 3.39Å; E196-I204 HydrophobicContact CG-CD1 4.34Å
197R97.3Very high98.1Very high35 Ų3530.3 Ų30.313%0.13217%0.166CC..Hα-helixtrans-61.2-30.3175.9-74.1167-178.71525.8113L19 M26 A193 G199 G218 L220L19-R197 HydrophobicContact CD1-CB 3.76Å; M26-R197 HydrophobicContact SD-CG 4.19Å; A193-R197 WeakPolarHBondContact O-CB 3.22Å; A193-R197 WeakPolarHBondContact O-CD 3.46Å; A193-R197 WeakPolarHBondContact O-CG 3.22Å; A193-R197 PolarHBondContact O-N 3.35Å; A193-R197 VanDerWaalsContact O-N 3.12Å; R197-G199 PolarHBondContact O-N 2.81Å; R197-G218 PolarHBondContact NH2-O 3.29Å; R197-L220 VanDerWaalsContact CZ-CD1 3.45Å; R197-L220 VanDerWaalsContact NH2-CD1 3.34Å
198M97.1Very high98Very high23 Ų2330.4 Ų30.411%0.11317%0.167CC..THydrogen-bonded Turntrans-80.5-1.7175-66-71-62.200113.2N18 L19 L22 L159 N160 G194 V195 E196 W200N18-M198 HydrophobicContact CB-CE 4.33Å; N18-M198 VanDerWaalsContact ND2-CE 3.32Å; N18-M198 WeakPolarHBondContact ND2-CE 3.34Å; L19-M198 HydrophobicContact CB-SD 4Å; L19-M198 HydrophobicContact CD1-CG 4.11Å; L19-M198 HydrophobicContact CD1-SD 4.21Å; L22-M198 HydrophobicContact CD1-SD 3.65Å; L159-M198 HydrophobicContact CD1-CG 3.66Å; L159-M198 HydrophobicContact CD1-SD 4.45Å; N160-M198 WeakPolarHBondContact OD1-CE 3.37Å; G194-M198 WeakPolarHBondContact O-CG 3.43Å; G194-M198 PolarHBondContact O-N 3.49Å; V195-M198 PolarHBondContact O-N 3.42Å; E196-M198 PolarHBondContact O-N 3.25Å; M198-W200 VanDerWaalsContact C-N 3.33Å; M198-W200 HydrophobicContact CB-CD2 3.71Å; M198-W200 HydrophobicContact CB-CE3 4.22Å; M198-W200 HydrophobicContact CB-CG 3.9Å; M198-W200 HydrophobicContact CB-CZ2 4.26Å; M198-W200 HydrophobicContact CE-CH2 3.96Å; M198-W200 HydrophobicContact CE-CZ2 3.51Å; M198-W200 PolarHBondContact O-NE1 3.27Å
199G97.5Very high97.8Very high49 Ų4934.5 Ų34.551%0.50519%0.192SC..THydrogen-bonded Turntrans75.919.5-175.300000113.8V195 E196 R197 H202V195-G199 PolarHBondContact O-N 3.03Å; E196-G199 PolarHBondContact O-N 3.39Å; R197-G199 PolarHBondContact O-N 2.81Å; G199-H202 PolarHBondContact O-ND1 3.3Å
200W97.8Very high97.3Very high37 Ų3738.8 Ų38.814%0.1422%0.215CC..  trans-99.123.8-173.2-60.1-8.3000113.6L159 N160 L163 V195 M198 H202 R203L159-W200 HydrophobicContact CB-CH2 3.83Å; L159-W200 HydrophobicContact CB-CZ3 3.75Å; N160-W200 VanDerWaalsContact OD1-CH2 3.29Å; N160-W200 WeakPolarHBondContact OD1-CH2 3.43Å; N160-W200 WeakPolarHBondContact OD1-CZ2 3.44Å; L163-W200 HydrophobicContact CB-CH2 4.09Å; L163-W200 HydrophobicContact CB-CZ3 4.02Å; L163-W200 HydrophobicContact CD2-CD2 4.01Å; L163-W200 HydrophobicContact CD2-CE3 3.89Å; L163-W200 HydrophobicContact CD2-CH2 3.77Å; L163-W200 HydrophobicContact CD2-CZ2 3.9Å; L163-W200 HydrophobicContact CD2-CZ3 3.76Å; L163-W200 HydrophobicContact CG-CZ3 4.38Å; V195-W200 HydrophobicContact CG1-CB 3.65Å; V195-W200 WeakPolarHBondContact CG1-O 3.38Å; V195-W200 WeakPolarHBondContact O-CB 3.37Å; V195-W200 PolarHBondContact O-N 2.91Å; M198-W200 VanDerWaalsContact C-N 3.33Å; M198-W200 HydrophobicContact CB-CD2 3.71Å; M198-W200 HydrophobicContact CB-CE3 4.22Å; M198-W200 HydrophobicContact CB-CG 3.9Å; M198-W200 HydrophobicContact CB-CZ2 4.26Å; M198-W200 HydrophobicContact CE-CH2 3.96Å; M198-W200 HydrophobicContact CE-CZ2 3.51Å; M198-W200 PolarHBondContact O-NE1 3.27Å; W200-H202 PolarHBondContact O-N 3.44Å; W200-H202 VanDerWaalsContact O-N 3.12Å; W200-R203 HydrophobicContact CB-CB 4.36Å; W200-R203 HydrophobicContact CB-CG 4.23Å; W200-R203 VanDerWaalsContact O-CB 3.31Å; W200-R203 WeakPolarHBondContact O-CB 3.47Å; W200-R203 PolarHBondContact O-N 3.41Å
201S98.3Very high96.9Very high62 Ų6239.5 Ų39.543%0.43422%0.22SC..G310 helixtrans-56.2-33.2-179.4-49.70000112.6R203 I204S201-R203 PolarHBondContact O-N 3.29Å; S201-I204 WeakPolarHBondContact O-CB 3.23Å; S201-I204 PolarHBondContact O-N 3.36Å
202H97.9Very high96.9Very high130 Ų13040.4 Ų40.460%0.60222%0.222SC*.G310 helixtrans-67.1-12.2175.569.2-85.4000114.5R119 G199 W200R119-H202 PolarHBondContact NH2-O 3.14Å; G199-H202 PolarHBondContact O-ND1 3.3Å; W200-H202 PolarHBondContact O-N 3.44Å; W200-H202 VanDerWaalsContact O-N 3.12Å
203R98.2Very high96.8Very high23 Ų2339 Ų399%0.08722%0.216CC..G310 helixtrans-89.2-13.8175-65.7-59.1-54.7-970.1113L113 L163 D167 W200 S201 D205L113-R203 HydrophobicContact CD2-CB 3.84Å; L113-R203 HydrophobicContact CG-CB 4.01Å; L113-R203 WeakPolarHBondContact CG-O 3.48Å; L163-R203 VanDerWaalsContact CD1-NH1 3.3Å; D167-R203 IonicContact OD1-CZ 3.61Å; D167-R203 IonicContact OD1-NH1 3.88Å; D167-R203 PolarHBondContact OD1-NH1 3.09Å; D167-R203 IonicContact OD1-NH2 2.74Å; D167-R203 PolarHBondContact OD1-NH2 3.26Å; D167-R203 IonicContact OD2-CZ 3.45Å; D167-R203 IonicContact OD2-NH1 2.73Å; D167-R203 PolarHBondContact OD2-NH1 3.44Å; D167-R203 IonicContact OD2-NH2 3.52Å; W200-R203 HydrophobicContact CB-CB 4.36Å; W200-R203 HydrophobicContact CB-CG 4.23Å; W200-R203 VanDerWaalsContact O-CB 3.31Å; W200-R203 WeakPolarHBondContact O-CB 3.47Å; W200-R203 PolarHBondContact O-N 3.41Å; S201-R203 PolarHBondContact O-N 3.29Å; R203-D205 PolarHBondContact O-N 3.18Å; R203-D205 VanDerWaalsContact O-OD2 3.12Å
204I98.6Very high96.8Very high35 Ų3539.9 Ų39.918%0.17922%0.223CC..  trans-72.7116.5-178.7-61.7170.2000109V111 K192 V195 E196 S201 V207V111-I204 HydrophobicContact CB-CG1 4.31Å; V111-I204 HydrophobicContact CB-CG2 4Å; V111-I204 HydrophobicContact CG1-CD1 4.12Å; V111-I204 HydrophobicContact CG1-CG1 4.24Å; V111-I204 HydrophobicContact CG1-CG2 3.7Å; V111-I204 HydrophobicContact CG2-CG1 4.3Å; K192-I204 HydrophobicContact CG-CD1 4.17Å; V195-I204 HydrophobicContact CG1-CD1 3.97Å; V195-I204 HydrophobicContact CG1-CG1 3.69Å; E196-I204 HydrophobicContact CG-CD1 4.34Å; S201-I204 WeakPolarHBondContact O-CB 3.23Å; S201-I204 PolarHBondContact O-N 3.36Å; I204-V207 HydrophobicContact CG2-CG2 3.94Å
205D98.6Very high96.7Very high28 Ų2839.9 Ų39.915%0.1522%0.222CC..  trans-97.5-28.1176.9-61.8-76.8000111.8V112 M114 R119 G120 R203V112-D205 PolarHBondContact O-N 2.68Å; M114-D205 HydrophobicContact CB-CB 4.27Å; M114-D205 WeakPolarHBondContact CB-OD2 3.38Å; M114-D205 HydrophobicContact CG-CB 3.68Å; M114-D205 PolarHBondContact N-OD2 3.48Å; R119-D205 IonicContact CZ-OD1 3.43Å; R119-D205 IonicContact NE-OD1 3.81Å; R119-D205 PolarHBondContact NE-OD1 3.28Å; R119-D205 IonicContact NE-OD2 3.59Å; R119-D205 PolarHBondContact NE-OD2 3.32Å; R119-D205 IonicContact NH2-OD1 2.84Å; R119-D205 PolarHBondContact NH2-OD1 3.25Å; G120-D205 PolarHBondContact N-OD1 3.48Å; R203-D205 PolarHBondContact O-N 3.18Å; R203-D205 VanDerWaalsContact O-OD2 3.12Å
206Q98.4Very high96.7Very high27 Ų2739.9 Ų39.913%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-148.3137.1176-176.1-175.50.400111.1V111 V112 K122 L208V111-Q206 CarbonylContact C-O 3.53Å; V111-Q206 VanDerWaalsContact CA-O 3.32Å; V111-Q206 WeakPolarHBondContact CA-O 2.97Å; V112-Q206 HydrophobicContact CB-CB 3.94Å; V112-Q206 HydrophobicContact CG2-CB 3.89Å; V112-Q206 HydrophobicContact CG2-CG 4.32Å; V112-Q206 PolarHBondContact N-O 3.32Å; V112-Q206 PolarHBondContact O-N 3.32Å; K122-Q206 HydrophobicContact CG-CG 4.32Å; Q206-L208 HydrophobicContact CG-CD2 4.31Å
207V98.4Very high96.6Very high51 Ų5136.7 Ų36.731%0.30921%0.207SC..EExtended strand (participates in β ladder)trans-99.1131.3168.3-172.30000108.8E109 V111 K192 I204 T209E109-V207 HydrophobicContact CB-CG1 4.04Å; E109-V207 HydrophobicContact CG-CG1 4.38Å; V111-V207 HydrophobicContact CG1-CB 4.36Å; V111-V207 HydrophobicContact CG1-CG1 4.28Å; V111-V207 HydrophobicContact CG1-CG2 4.06Å; K192-V207 HydrophobicContact CD-CG1 4.3Å; I204-V207 HydrophobicContact CG2-CG2 3.94Å; V207-T209 HydrophobicContact CB-CG2 4.23Å; V207-T209 HydrophobicContact CG1-CG2 3.73Å; V207-T209 PolarHBondContact O-N 2.94Å
208L97.4Very high96.7Very high2 Ų235.2 Ų35.21%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-91.870.9-178.6-58.2177.6000110.7D110 V112 L123 L143 I189 Q206 D210D110-L208 HydrophobicContact CB-CD1 4.03Å; D110-L208 WeakPolarHBondContact O-CB 3.45Å; D110-L208 PolarHBondContact O-N 2.91Å; V112-L208 HydrophobicContact CG2-CD1 4.23Å; V112-L208 HydrophobicContact CG2-CD2 3.88Å; V112-L208 HydrophobicContact CG2-CG 4.07Å; L123-L208 HydrophobicContact CD1-CD2 4.27Å; L143-L208 HydrophobicContact CD1-CD1 4.45Å; L143-L208 HydrophobicContact CD2-CD1 4.03Å; I189-L208 HydrophobicContact CG2-CD1 4.2Å; Q206-L208 HydrophobicContact CG-CD2 4.31Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 3.29Å
209T93.5Very high96.7Very high86 Ų8634.2 Ų34.253%0.52820%0.198SC..THydrogen-bonded Turntrans-74.5-20.9-173.654.30000114.5V207 S211V207-T209 HydrophobicContact CB-CG2 4.23Å; V207-T209 HydrophobicContact CG1-CG2 3.73Å; V207-T209 PolarHBondContact O-N 2.94Å; T209-S211 VanDerWaalsContact C-N 3.32Å
210D89.2Confident96.7Very high91 Ų9131.9 Ų31.949%0.48717%0.174SC..THydrogen-bonded Turntrans-94.514179.963.7-3.1000112.9K146 L208K146-D210 WeakPolarHBondContact CE-OD2 3.48Å; K146-D210 IonicContact NZ-OD1 3.2Å; K146-D210 PolarHBondContact NZ-OD1 3.42Å; K146-D210 IonicContact NZ-OD2 3.52Å; K146-D210 PolarHBondContact NZ-OD2 3.28Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 3.29Å
211S90.1Very high96.8Very high17 Ų1730.1 Ų30.112%0.11917%0.167CC..SBendtrans-115.2143.1-177.1-60.50000111.2T209T209-S211 VanDerWaalsContact C-N 3.32Å
212F96.3Very high96.8Very high30 Ų3027.1 Ų27.113%0.13215%0.146CC..PPolyproline II helixtrans-67.6134.7169.6-70.6-98.2000110.7R138 R268 H285 N287 E298R138-F212 PolarHBondContact NH1-O 3.45Å; F212-R268 HydrophobicContact CD1-CB 4.29Å; F212-R268 HydrophobicContact CE1-CB 4.48Å; F212-H285 HydrophobicContact CE1-CB 3.63Å; F212-H285 HydrophobicContact CZ-CB 4.25Å; F212-N287 HydrophobicContact CD2-CB 4.32Å; F212-N287 WeakPolarHBondContact CD2-ND2 3.32Å; F212-N287 HydrophobicContact CE1-CB 4.46Å; F212-N287 HydrophobicContact CE2-CB 4.18Å; F212-N287 HydrophobicContact CZ-CB 4.26Å; F212-E298 WeakPolarHBondContact CE2-OE1 3.42Å; F212-E298 WeakPolarHBondContact CE2-OE2 3.2Å
213Y97.6Very high96.8Very high12 Ų1221 Ų215%0.04712%0.118CC..BIsolated β-bridgetrans-95.3170.3-179.847.4-108.7000112.3R105 P108 G266 V267 R268 S269R105-Y213 VanDerWaalsContact NH2-CE2 3.31Å; P108-Y213 HydrophobicContact CB-CD1 3.69Å; P108-Y213 HydrophobicContact CB-CD2 3.8Å; P108-Y213 HydrophobicContact CB-CE1 3.66Å; P108-Y213 HydrophobicContact CB-CE2 3.79Å; P108-Y213 HydrophobicContact CB-CG 3.73Å; P108-Y213 HydrophobicContact CG-CD1 3.65Å; P108-Y213 HydrophobicContact CG-CD2 4.49Å; P108-Y213 HydrophobicContact CG-CE1 3.27Å; P108-Y213 HydrophobicContact CG-CE2 4.2Å; P108-Y213 HydrophobicContact CG-CG 4.23Å; P108-Y213 WeakPolarHBondContact O-CB 3.34Å; Y213-G266 WeakPolarHBondContact O-CA 3.4Å; Y213-V267 HydrophobicContact CD2-CG2 3.76Å; Y213-V267 VanDerWaalsContact CD2-O 3.22Å; Y213-V267 WeakPolarHBondContact CD2-O 3.33Å; Y213-V267 HydrophobicContact CE2-CG2 3.76Å; Y213-V267 WeakPolarHBondContact CE2-O 3.45Å; Y213-V267 PolarHBondContact N-O 3.35Å; Y213-V267 PolarHBondContact O-N 2.93Å; Y213-R268 HydrophobicContact CE1-CB 4.27Å; Y213-R268 HydrophobicContact CE1-CG 4Å; Y213-S269 PolarHBondContact OH-N 3.25Å
214A96.2Very high96.8Very high21 Ų2119.9 Ų19.917%0.17411%0.113CC..PPolyproline II helixtrans-70.5145.3174.600000110.8S216 Q217A214-S216 PolarHBondContact O-N 3.47Å; A214-Q217 HydrophobicContact CB-CB 4.13Å; A214-Q217 WeakPolarHBondContact O-CB 3.41Å; A214-Q217 PolarHBondContact O-N 2.77Å
215V96.7Very high96.8Very high9 Ų920.1 Ų20.16%0.05511%0.112CC..THydrogen-bonded Turntrans-48.5128.7173.7168.20000110.6K87 Q217 E250 R251 M254 V267K87-V215 WeakPolarHBondContact CA-O 3.38Å; K87-V215 WeakPolarHBondContact CB-O 3.35Å; V215-Q217 PolarHBondContact O-N 3.42Å; V215-Q217 VanDerWaalsContact O-N 3.08Å; V215-E250 HydrophobicContact CB-CB 4.48Å; V215-E250 HydrophobicContact CG1-CB 3.92Å; V215-E250 HydrophobicContact CG2-CB 4.42Å; V215-R251 HydrophobicContact CG1-CG 3.9Å; V215-M254 HydrophobicContact CB-SD 3.95Å; V215-M254 HydrophobicContact CG1-CB 4.29Å; V215-M254 HydrophobicContact CG1-CE 4.03Å; V215-M254 HydrophobicContact CG1-SD 3.98Å; V215-M254 HydrophobicContact CG2-CB 4.09Å; V215-M254 HydrophobicContact CG2-CG 4.46Å; V215-M254 HydrophobicContact CG2-SD 4.1Å; V215-V267 HydrophobicContact CB-CG2 4.48Å; V215-V267 HydrophobicContact CG2-CG1 3.78Å; V215-V267 HydrophobicContact CG2-CG2 3.95Å
216S97.1Very high96.7Very high0 Ų021.9 Ų21.90%012%0.121CC..THydrogen-bonded Turntrans58.914.6-178.7-54.20000115.8A214 G218 A219 E250 R251A214-S216 PolarHBondContact O-N 3.47Å; S216-G218 PolarHBondContact O-N 3.42Å; S216-A219 WeakPolarHBondContact O-CB 3.16Å; S216-A219 PolarHBondContact O-N 2.9Å; S216-A219 VanDerWaalsContact O-N 3.12Å; S216-E250 WeakPolarHBondContact CA-OE2 3.47Å; S216-E250 PolarHBondContact N-OE2 3.12Å; S216-R251 WeakPolarHBondContact OG-CD 3.22Å; S216-R251 VanDerWaalsContact OG-CG 3.25Å; S216-R251 WeakPolarHBondContact OG-CG 3.48Å
217Q97.4Very high96.5Very high2 Ų226.5 Ų26.51%0.00915%0.151CC..THydrogen-bonded Turntrans-60.9136.5176-175.3158.9-86.500110.5K87 R105 P108 E109 D110 A191 A214 V215 A219K87-Q217 HydrophobicContact CD-CB 4.27Å; K87-Q217 HydrophobicContact CD-CG 4.23Å; R105-Q217 VanDerWaalsContact CZ-O 3.31Å; R105-Q217 PolarHBondContact NE-O 2.97Å; R105-Q217 PolarHBondContact NH2-O 3.48Å; P108-Q217 WeakPolarHBondContact CA-O 3.39Å; P108-Q217 VanDerWaalsContact CB-O 3.27Å; P108-Q217 WeakPolarHBondContact CB-O 3.32Å; P108-Q217 WeakPolarHBondContact O-CG 3.35Å; P108-Q217 PolarHBondContact O-NE2 3Å; E109-Q217 PolarHBondContact O-NE2 3.41Å; D110-Q217 PolarHBondContact OD1-NE2 3.46Å; A191-Q217 VanDerWaalsContact CB-CD 3.44Å; A191-Q217 HydrophobicContact CB-CG 4Å; A191-Q217 VanDerWaalsContact CB-OE1 3.31Å; A214-Q217 HydrophobicContact CB-CB 4.13Å; A214-Q217 WeakPolarHBondContact O-CB 3.41Å; A214-Q217 PolarHBondContact O-N 2.77Å; V215-Q217 PolarHBondContact O-N 3.42Å; V215-Q217 VanDerWaalsContact O-N 3.08Å; Q217-A219 VanDerWaalsContact C-N 3.25Å; Q217-A219 PolarHBondContact O-N 3.18Å
218G97.6Very high96.4Very high4 Ų425.1 Ų25.14%0.04114%0.142CC..THydrogen-bonded Turntrans86.7-20.7-176.200000114.4V106 R197 S216V106-G218 PolarHBondContact N-O 2.87Å; R197-G218 PolarHBondContact NH2-O 3.29Å; S216-G218 PolarHBondContact O-N 3.42Å
219A98.1Very high96.3Very high2 Ų230.6 Ų30.62%0.01717%0.171CC..  trans-82.8153175.800000111.8L86 V102 R105 S216 Q217 T247L86-A219 HydrophobicContact CB-CB 4.09Å; L86-A219 HydrophobicContact CD2-CB 4.07Å; L86-A219 PolarHBondContact N-O 2.87Å; L86-A219 VanDerWaalsContact N-O 3.11Å; V102-A219 HydrophobicContact CG1-CB 4.29Å; R105-A219 HydrophobicContact CB-CB 4.49Å; R105-A219 HydrophobicContact CG-CB 4.14Å; S216-A219 WeakPolarHBondContact O-CB 3.16Å; S216-A219 PolarHBondContact O-N 2.9Å; S216-A219 VanDerWaalsContact O-N 3.12Å; Q217-A219 VanDerWaalsContact C-N 3.25Å; Q217-A219 PolarHBondContact O-N 3.18Å; A219-T247 HydrophobicContact CB-CG2 3.54Å
220L98.1Very high96.4Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-129.5148.8172.6-66.7170.4000108.5Q23 H84 V102 F103 R197Q23-L220 HydrophobicContact CB-CD1 4.17Å; Q23-L220 HydrophobicContact CB-CD2 4.26Å; Q23-L220 HydrophobicContact CG-CD1 4.01Å; Q23-L220 HydrophobicContact CG-CD2 4.06Å; H84-L220 VanDerWaalsContact O-CA 3.29Å; H84-L220 WeakPolarHBondContact O-CA 3.43Å; H84-L220 WeakPolarHBondContact O-CD2 3.41Å; V102-L220 WeakPolarHBondContact CA-O 3.42Å; V102-L220 WeakPolarHBondContact CG1-O 3.44Å; F103-L220 HydrophobicContact CD1-CB 3.88Å; F103-L220 WeakPolarHBondContact CD1-O 3.48Å; F103-L220 HydrophobicContact CD2-CB 3.9Å; F103-L220 HydrophobicContact CD2-CD1 4.3Å; F103-L220 HydrophobicContact CE1-CB 3.24Å; F103-L220 HydrophobicContact CE1-CD1 4.45Å; F103-L220 HydrophobicContact CE1-CG 4.4Å; F103-L220 HydrophobicContact CE2-CB 3.31Å; F103-L220 HydrophobicContact CE2-CD1 3.22Å; F103-L220 HydrophobicContact CE2-CG 3.81Å; F103-L220 HydrophobicContact CG-CB 4.2Å; F103-L220 HydrophobicContact CZ-CB 2.97Å; F103-L220 HydrophobicContact CZ-CD1 3.34Å; F103-L220 HydrophobicContact CZ-CG 3.7Å; F103-L220 PolarHBondContact N-O 2.86Å; R197-L220 VanDerWaalsContact CZ-CD1 3.45Å; R197-L220 VanDerWaalsContact NH2-CD1 3.34Å
221A98.1Very high96.8Very high0 Ų025.6 Ų25.60%014%0.138CC..EExtended strand (participates in β ladder)trans-141155-178.700000110.7H84 L86 L99 C101 V102H84-A221 PolarHBondContact N-O 3.44Å; H84-A221 PolarHBondContact O-N 2.95Å; L86-A221 HydrophobicContact CB-CB 4.33Å; L86-A221 HydrophobicContact CD1-CB 3.87Å; L86-A221 HydrophobicContact CD2-CB 4.46Å; L86-A221 HydrophobicContact CG-CB 4.44Å; L99-A221 HydrophobicContact CD1-CB 4.43Å; L99-A221 HydrophobicContact CD2-CB 3.99Å; C101-A221 CarbonylContact O-C 3.55Å; C101-A221 WeakPolarHBondContact O-CA 3.36Å; C101-A221 VanDerWaalsContact O-CB 3.29Å; C101-A221 WeakPolarHBondContact O-CB 3.32Å; V102-A221 HydrophobicContact CG2-CB 4.29Å
222C98.4Very high97.2Very high0 Ų024.9 Ų24.90%013%0.133CC..EExtended strand (participates in β ladder)trans-105.8123.3173.5-64.10000109.2L81 V82 L99 G100 C101 L235L81-C222 HydrophobicContact CD1-CB 4.43Å; V82-C222 CarbonylContact O-C 3.58Å; V82-C222 VanDerWaalsContact O-CA 3.27Å; V82-C222 WeakPolarHBondContact O-CA 3.47Å; L99-C222 CarbonylContact C-O 3.46Å; L99-C222 VanDerWaalsContact CA-O 3.3Å; L99-C222 WeakPolarHBondContact CA-O 3.25Å; G100-C222 PolarHBondContact N-O 3.37Å; C101-C222 PolarHBondContact O-N 3.4Å; C101-C222 VanDerWaalsContact SG-CB 3.58Å; C101-C222 VanDerWaalsContact SG-SG 3.63Å; C222-L235 HydrophobicContact CB-CD1 3.75Å; C222-L235 HydrophobicContact CB-CD2 3.45Å; C222-L235 VanDerWaalsContact CB-CD2 3.45Å; C222-L235 HydrophobicContact CB-CG 4.23Å
223E98.3Very high97.2Very high0 Ų026.9 Ų26.90%015%0.145CC..EExtended strand (participates in β ladder)trans-93.8137.3172.6-168.6177.9171.300110.1L74 L81 V82 H84 L93 L97 V98 L99L74-E223 HydrophobicContact CD1-CB 4.02Å; L74-E223 HydrophobicContact CD1-CG 3.72Å; L81-E223 CarbonylContact C-O 3.48Å; L81-E223 WeakPolarHBondContact CA-O 3.49Å; V82-E223 PolarHBondContact N-O 2.95Å; V82-E223 PolarHBondContact O-N 2.99Å; H84-E223 IonicContact CD2-OE2 3.37Å; H84-E223 IonicContact CE1-OE2 3.11Å; H84-E223 IonicContact NE2-OE2 2.7Å; H84-E223 PolarHBondContact NE2-OE2 3.41Å; L93-E223 HydrophobicContact CD2-CG 3.85Å; L93-E223 WeakPolarHBondContact CD2-OE1 3.25Å; L97-E223 HydrophobicContact CB-CG 4.41Å; L97-E223 WeakPolarHBondContact CB-OE1 3.18Å; L97-E223 WeakPolarHBondContact CD1-OE1 3.45Å; V98-E223 CarbonylContact O-C 3.44Å; V98-E223 VanDerWaalsContact O-CA 3.27Å; V98-E223 WeakPolarHBondContact O-CA 3.17Å; L99-E223 HydrophobicContact CD2-CB 4.08Å; L99-E223 HydrophobicContact CD2-CG 4.46Å
224C98.2Very high97.1Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-152177.1178.862.80000111.3L81 L97 V98 I231 M232 L235L81-C224 HydrophobicContact CB-CB 4.32Å; L97-C224 WeakPolarHBondContact CA-O 3.33Å; V98-C224 PolarHBondContact N-O 3.15Å; V98-C224 PolarHBondContact O-N 3.27Å; C224-I231 HydrophobicContact CB-CG2 3.63Å; C224-M232 PolarHBondContact SG-SD 3.24Å; C224-L235 HydrophobicContact CB-CD1 4.16Å
225R98.2Very high97.1Very high40 Ų4025.5 Ų25.515%0.15114%0.135CC..EExtended strand (participates in β ladder)trans-75.9133.9174.2-65.6168.7-67.1-86.4-0.7110.4L74 V79 D80 G96 L97 V227 D228L74-R225 WeakPolarHBondContact O-CD 3.34Å; L74-R225 PolarHBondContact O-NH1 3.29Å; V79-R225 PolarHBondContact O-NH1 3.47Å; D80-R225 IonicContact OD1-NH2 2.81Å; D80-R225 PolarHBondContact OD1-NH2 3.04Å; G96-R225 CarbonylContact O-C 3.58Å; G96-R225 WeakPolarHBondContact O-CA 3.42Å; L97-R225 HydrophobicContact CD2-CG 4.1Å; R225-V227 PolarHBondContact O-N 3.34Å; R225-V227 VanDerWaalsContact O-N 3.17Å; R225-D228 HydrophobicContact CB-CB 4.15Å; R225-D228 IonicContact CZ-OD2 2.69Å; R225-D228 IonicContact NE-OD2 3.54Å; R225-D228 IonicContact NH2-OD2 3.91Å; R225-D228 PolarHBondContact NH2-OD2 3.38Å; R225-D228 PolarHBondContact O-N 2.89Å; R225-D228 VanDerWaalsContact O-N 3.12Å
226L96.9Very high97.1Very high65 Ų6526.2 Ų26.234%0.3414%0.141SC..THydrogen-bonded Turntrans-56.6-32.9179.6177.760.1000113.3G96 V98 I362 I367G96-L226 PolarHBondContact O-N 3.07Å; V98-L226 HydrophobicContact CG1-CB 4.18Å; V98-L226 HydrophobicContact CG1-CD1 3.92Å; V98-L226 HydrophobicContact CG1-CG 4.47Å; V98-L226 HydrophobicContact CG2-CB 4.16Å; V98-L226 HydrophobicContact CG2-CD1 4.17Å; L226-I362 HydrophobicContact CD1-CD1 4.41Å; L226-I362 HydrophobicContact CD2-CD1 4.41Å; L226-I367 HydrophobicContact CD1-CD1 4.17Å; L226-I367 HydrophobicContact CD1-CG2 4.26Å
227V94.1Very high97Very high124 Ų12429.9 Ų29.975%0.75216%0.158SC*.THydrogen-bonded Turntrans-90.8-0.9-176.4-60.40000113.9R225 N229R225-V227 PolarHBondContact O-N 3.34Å; R225-V227 VanDerWaalsContact O-N 3.17Å; V227-N229 PolarHBondContact O-N 3.25Å; V227-N229 VanDerWaalsContact O-N 3.15Å
228D96.5Very high96.9Very high23 Ų2330.4 Ų30.412%0.12316%0.16CC..  trans-88.774.6-179.6-163.4-24.1000110.4R7 R225 F230 I231 M232R7-D228 IonicContact CZ-OD2 3.54Å; R7-D228 IonicContact NH1-OD1 3.31Å; R7-D228 PolarHBondContact NH1-OD1 3.23Å; R7-D228 IonicContact NH1-OD2 2.86Å; R7-D228 PolarHBondContact NH1-OD2 3.46Å; R7-D228 IonicContact NH2-OD2 3.58Å; R225-D228 HydrophobicContact CB-CB 4.15Å; R225-D228 IonicContact CZ-OD2 2.69Å; R225-D228 IonicContact NE-OD2 3.54Å; R225-D228 IonicContact NH2-OD2 3.91Å; R225-D228 PolarHBondContact NH2-OD2 3.38Å; R225-D228 PolarHBondContact O-N 2.89Å; R225-D228 VanDerWaalsContact O-N 3.12Å; D228-F230 PolarHBondContact O-N 3.4Å; D228-F230 VanDerWaalsContact O-N 3.13Å; D228-I231 HydrophobicContact CB-CB 4.19Å; D228-I231 HydrophobicContact CB-CG1 4.29Å; D228-I231 PolarHBondContact O-N 3.38Å; D228-I231 WeakPolarHBondContact OD1-CG1 3.34Å; D228-I231 PolarHBondContact OD1-N 3.31Å; D228-I231 VanDerWaalsContact OD2-CG1 3.28Å; D228-I231 WeakPolarHBondContact OD2-CG1 3.17Å; D228-M232 WeakPolarHBondContact O-CG 3.26Å; D228-M232 PolarHBondContact O-N 2.77Å
229N95.4Very high96.9Very high117 Ų11731 Ų3163%0.62616%0.162SC*.Hα-helixtrans-54.4-32.9-176.7-70.3-33.7000113.4V227 D233V227-N229 PolarHBondContact O-N 3.25Å; V227-N229 VanDerWaalsContact O-N 3.15Å; N229-D233 WeakPolarHBondContact O-CB 3.5Å; N229-D233 PolarHBondContact O-N 3.12Å
230F96.3Very high96.8Very high72 Ų7231.9 Ų31.932%0.31617%0.167SC..Hα-helixtrans-64.9-46.7176.3172.8-93.2000111.4R7 V10 I38 D228 L234R7-F230 HydrophobicContact CB-CE1 4.07Å; R7-F230 HydrophobicContact CB-CE2 4.31Å; R7-F230 HydrophobicContact CB-CZ 3.93Å; R7-F230 VanDerWaalsContact CD-CE1 3.48Å; R7-F230 HydrophobicContact CG-CD1 4.37Å; R7-F230 HydrophobicContact CG-CE1 3.82Å; R7-F230 HydrophobicContact CG-CZ 4.1Å; R7-F230 WeakPolarHBondContact O-CZ 3.4Å; V10-F230 HydrophobicContact CG2-CE1 3.79Å; I38-F230 HydrophobicContact CD1-CE2 4.46Å; I38-F230 HydrophobicContact CD1-CZ 3.78Å; D228-F230 PolarHBondContact O-N 3.4Å; D228-F230 VanDerWaalsContact O-N 3.13Å; F230-L234 HydrophobicContact CD1-CD1 3.93Å; F230-L234 HydrophobicContact CE1-CD1 3.4Å; F230-L234 HydrophobicContact CE1-CG 4.38Å; F230-L234 HydrophobicContact CE2-CD1 4.47Å; F230-L234 HydrophobicContact CZ-CD1 3.73Å; F230-L234 HydrophobicContact CZ-CG 4.47Å; F230-L234 WeakPolarHBondContact O-CG 3.35Å; F230-L234 PolarHBondContact O-N 2.82Å
231I97.7Very high96.6Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-67.8-40.4176.9-63.7-63000110.9V10 D80 L81 C224 D228 D233 L234 L235V10-I231 HydrophobicContact CG1-CD1 3.79Å; V10-I231 HydrophobicContact CG2-CD1 3.98Å; D80-I231 HydrophobicContact CB-CD1 3.93Å; D80-I231 HydrophobicContact CB-CG1 4.32Å; L81-I231 HydrophobicContact CB-CG2 4.09Å; L81-I231 HydrophobicContact CD2-CG2 4.24Å; C224-I231 HydrophobicContact CB-CG2 3.63Å; D228-I231 HydrophobicContact CB-CB 4.19Å; D228-I231 HydrophobicContact CB-CG1 4.29Å; D228-I231 PolarHBondContact O-N 3.38Å; D228-I231 WeakPolarHBondContact OD1-CG1 3.34Å; D228-I231 PolarHBondContact OD1-N 3.31Å; D228-I231 VanDerWaalsContact OD2-CG1 3.28Å; D228-I231 WeakPolarHBondContact OD2-CG1 3.17Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.08Å; I231-L234 HydrophobicContact CD1-CD1 4.38Å; I231-L234 PolarHBondContact O-N 3.05Å; I231-L235 HydrophobicContact CG2-CD1 3.85Å; I231-L235 HydrophobicContact CG2-CG 4.14Å; I231-L235 WeakPolarHBondContact O-CB 3.25Å; I231-L235 VanDerWaalsContact O-CG 3.27Å; I231-L235 WeakPolarHBondContact O-CG 3.2Å; I231-L235 PolarHBondContact O-N 3.06Å
232M97.3Very high96.5Very high1 Ų134 Ų341%0.00518%0.181CC..Hα-helixtrans-57.6-46.4176.8-69.3-64.6-64.700112V98 C224 D228 L235 S236 I367 T369V98-M232 HydrophobicContact CG2-SD 4.09Å; C224-M232 PolarHBondContact SG-SD 3.24Å; D228-M232 WeakPolarHBondContact O-CG 3.26Å; D228-M232 PolarHBondContact O-N 2.77Å; M232-L235 PolarHBondContact O-N 3.05Å; M232-S236 PolarHBondContact O-N 2.96Å; M232-I367 HydrophobicContact CE-CB 4.45Å; M232-I367 HydrophobicContact CE-CG1 4.18Å; M232-I367 HydrophobicContact CE-CG2 3.89Å; M232-I367 WeakPolarHBondContact CE-O 3.43Å; M232-T369 CarbonylContact C-O 3.53Å; M232-T369 VanDerWaalsContact C-O 3.3Å; M232-T369 VanDerWaalsContact O-O 3.11Å
233D96.2Very high96.5Very high73 Ų7334.1 Ų34.139%0.3918%0.182SC..Hα-helixtrans-60.4-48.3177.4-173.364.7000111.5N229 I231 L235 S236 T369 P370N229-D233 WeakPolarHBondContact O-CB 3.5Å; N229-D233 PolarHBondContact O-N 3.12Å; I231-D233 VanDerWaalsContact C-N 3.34Å; I231-D233 PolarHBondContact O-N 3.08Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 3.22Å; D233-S236 WeakPolarHBondContact O-CB 3.45Å; D233-S236 PolarHBondContact O-N 3.31Å; D233-S236 VanDerWaalsContact O-N 3.12Å; D233-S236 PolarHBondContact O-OG 2.75Å; D233-T369 WeakPolarHBondContact CA-O 3.36Å; D233-T369 PolarHBondContact N-O 2.94Å; D233-P370 WeakPolarHBondContact OD1-CD 3.41Å
234L96Very high96.5Very high4 Ų434.1 Ų34.12%0.02118%0.182CC..Hα-helixtrans-58.3-42.4176.1-70.3176.6000113.2V10 L31 N35 I38 F230 I231 S236 H237V10-L234 HydrophobicContact CG2-CD1 4.03Å; L31-L234 WeakPolarHBondContact CD2-O 3.41Å; N35-L234 HydrophobicContact CB-CD2 4.2Å; N35-L234 WeakPolarHBondContact OD1-CD2 3.27Å; I38-L234 HydrophobicContact CD1-CD1 3.79Å; I38-L234 HydrophobicContact CD1-CD2 3.52Å; I38-L234 HydrophobicContact CD1-CG 4.29Å; F230-L234 HydrophobicContact CD1-CD1 3.93Å; F230-L234 HydrophobicContact CE1-CD1 3.4Å; F230-L234 HydrophobicContact CE1-CG 4.38Å; F230-L234 HydrophobicContact CE2-CD1 4.47Å; F230-L234 HydrophobicContact CZ-CD1 3.73Å; F230-L234 HydrophobicContact CZ-CG 4.47Å; F230-L234 WeakPolarHBondContact O-CG 3.35Å; F230-L234 PolarHBondContact O-N 2.82Å; I231-L234 HydrophobicContact CD1-CD1 4.38Å; I231-L234 PolarHBondContact O-N 3.05Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.48Å; L234-H237 PolarHBondContact O-N 3.08Å
235L97.5Very high96.5Very high0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-69-28.6-179.9-70.5-179.6000112L31 L81 C101 C222 C224 I231 M232 D233 H237 I238 H239L31-L235 HydrophobicContact CD1-CD2 4.38Å; L31-L235 HydrophobicContact CD2-CD2 4.35Å; L81-L235 HydrophobicContact CD2-CD2 4.14Å; C101-L235 HydrophobicContact CB-CB 4.06Å; C101-L235 VanDerWaalsContact CB-O 3.32Å; C101-L235 WeakPolarHBondContact CB-O 3.32Å; C222-L235 HydrophobicContact CB-CD1 3.75Å; C222-L235 HydrophobicContact CB-CD2 3.45Å; C222-L235 VanDerWaalsContact CB-CD2 3.45Å; C222-L235 HydrophobicContact CB-CG 4.23Å; C224-L235 HydrophobicContact CB-CD1 4.16Å; I231-L235 HydrophobicContact CG2-CD1 3.85Å; I231-L235 HydrophobicContact CG2-CG 4.14Å; I231-L235 WeakPolarHBondContact O-CB 3.25Å; I231-L235 VanDerWaalsContact O-CG 3.27Å; I231-L235 WeakPolarHBondContact O-CG 3.2Å; I231-L235 PolarHBondContact O-N 3.06Å; M232-L235 PolarHBondContact O-N 3.05Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 3.22Å; L235-H237 PolarHBondContact O-N 3.46Å; L235-I238 HydrophobicContact CD2-CD1 4.36Å; L235-I238 WeakPolarHBondContact O-CG1 3.47Å; L235-I238 PolarHBondContact O-N 3.14Å; L235-H239 PolarHBondContact O-N 2.8Å
236S95.9Very high96.5Very high23 Ų2332.8 Ų32.816%0.16118%0.178CC..Hα-helixtrans-59.4-31.2176.783.30000112.5M232 D233 L234 I238 H239M232-S236 PolarHBondContact O-N 2.96Å; D233-S236 WeakPolarHBondContact O-CB 3.45Å; D233-S236 PolarHBondContact O-N 3.31Å; D233-S236 VanDerWaalsContact O-N 3.12Å; D233-S236 PolarHBondContact O-OG 2.75Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.48Å; S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 PolarHBondContact O-N 2.86Å; S236-H239 WeakPolarHBondContact O-CB 3.48Å; S236-H239 PolarHBondContact O-N 3.49Å
237H94.2Very high96.6Very high78 Ų7829.7 Ų29.736%0.36116%0.161SC..THydrogen-bonded Turntrans-69.1-20-178.7-59167.5000114.2Q34 L234 L235Q34-H237 HydrophobicContact CB-CB 4.32Å; Q34-H237 HydrophobicContact CG-CB 4.38Å; L234-H237 PolarHBondContact O-N 3.08Å; L235-H237 PolarHBondContact O-N 3.46Å
238I95.7Very high96.8Very high13 Ų1323.8 Ų23.87%0.06713%0.126CC..THydrogen-bonded Turntrans-112.26.5179.265.1160.2000112.2L30 L31 F103 L235 S236L30-I238 HydrophobicContact CB-CB 4.36Å; L30-I238 HydrophobicContact CB-CG2 3.62Å; L31-I238 HydrophobicContact CD1-CD1 4.36Å; L31-I238 HydrophobicContact CD2-CD1 3.86Å; L31-I238 HydrophobicContact CD2-CG1 3.97Å; L31-I238 HydrophobicContact CD2-CG2 3.9Å; L31-I238 HydrophobicContact CG-CD1 3.92Å; L31-I238 HydrophobicContact CG-CG2 4.25Å; F103-I238 VanDerWaalsContact CB-O 3.25Å; F103-I238 WeakPolarHBondContact CB-O 3.37Å; L235-I238 HydrophobicContact CD2-CD1 4.36Å; L235-I238 WeakPolarHBondContact O-CG1 3.47Å; L235-I238 PolarHBondContact O-N 3.14Å; S236-I238 VanDerWaalsContact C-N 3.26Å; S236-I238 PolarHBondContact O-N 2.86Å
239H96.9Very high96.9Very high15 Ų1522.7 Ų22.77%0.06912%0.12CC..  trans-69.8127.7179-176.371.9000111.3C101 V102 L235 S236 A244 N312 V368C101-H239 HydrophobicContact CB-CB 4.07Å; V102-H239 PolarHBondContact N-ND1 3.16Å; V102-H239 CarbonylContact O-C 3.56Å; V102-H239 WeakPolarHBondContact O-CA 3.46Å; V102-H239 PolarHBondContact O-ND1 3.29Å; L235-H239 PolarHBondContact O-N 2.8Å; S236-H239 WeakPolarHBondContact O-CB 3.48Å; S236-H239 PolarHBondContact O-N 3.49Å; H239-A244 WeakPolarHBondContact CE1-CB 3.4Å; H239-N312 PolarHBondContact O-ND2 2.79Å; H239-V368 HydrophobicContact CB-CG1 4.3Å; H239-V368 WeakPolarHBondContact CE1-CG2 3.29Å; H239-V368 WeakPolarHBondContact ND1-CG2 3.5Å
240D96.3Very high97Very high22 Ų2217.1 Ų17.112%0.1189%0.09CC..  trans-106.9106.6171.9-173.976.3000110.4V102 A104 S242 A243 A244 N312V102-D240 PolarHBondContact O-N 3.06Å; A104-D240 HydrophobicContact CB-CB 4.33Å; D240-S242 VanDerWaalsContact C-N 3.25Å; D240-S242 PolarHBondContact O-N 3.01Å; D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 PolarHBondContact O-N 3.11Å; D240-A243 VanDerWaalsContact OD2-CB 3.25Å; D240-A243 WeakPolarHBondContact OD2-CB 3.43Å; D240-A243 PolarHBondContact OD2-N 3.04Å; D240-A244 PolarHBondContact O-N 3.48Å; D240-N312 WeakPolarHBondContact CA-ND2 3.4Å; D240-N312 PolarHBondContact OD1-ND2 2.91Å
241E95.6Very high97.1Very high8 Ų813.7 Ų13.74%0.0378%0.075CC..Hα-helixtrans-63.7-33.6-175-162.6179.7-163.200111.1A244 L245 M309 P310 S375 R378E241-A244 PolarHBondContact O-N 3.32Å; E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 HydrophobicContact CG-CG 4.19Å; E241-L245 VanDerWaalsContact O-CG 3.26Å; E241-L245 WeakPolarHBondContact O-CG 3.32Å; E241-L245 PolarHBondContact O-N 3.41Å; E241-M309 VanDerWaalsContact C-CE 3.41Å; E241-M309 HydrophobicContact CB-CE 3.58Å; E241-M309 HydrophobicContact CG-CE 3.56Å; E241-P310 WeakPolarHBondContact OE2-CD 3.44Å; E241-S375 VanDerWaalsContact OE1-CA 3.27Å; E241-S375 WeakPolarHBondContact OE1-CA 3.45Å; E241-S375 VanDerWaalsContact OE1-CB 3.3Å; E241-S375 WeakPolarHBondContact OE1-CB 3.35Å; E241-S375 PolarHBondContact OE1-OG 3.34Å; E241-R378 IonicContact OE1-CZ 2.85Å; E241-R378 IonicContact OE1-NE 2.75Å; E241-R378 PolarHBondContact OE1-NE 3.01Å; E241-R378 IonicContact OE1-NH2 3.28Å; E241-R378 PolarHBondContact OE1-NH2 2.92Å; E241-R378 IonicContact OE2-CZ 3.67Å; E241-R378 IonicContact OE2-NE 3.14Å; E241-R378 PolarHBondContact OE2-NE 3.43Å; E241-R378 IonicContact OE2-NH2 3.11Å; E241-R378 PolarHBondContact OE2-NH2 3.31Å
242S96Very high97.1Very high37 Ų3713.9 Ų13.926%0.2598%0.076SC..Hα-helixtrans-62.6-46.6176.9-67.90000112.2D240 A244 T246D240-S242 VanDerWaalsContact C-N 3.25Å; D240-S242 PolarHBondContact O-N 3.01Å; S242-A244 VanDerWaalsContact C-N 3.34Å; S242-T246 WeakPolarHBondContact O-CG2 3.45Å; S242-T246 PolarHBondContact O-N 2.95Å; S242-T246 PolarHBondContact O-OG1 3.22Å; S242-T246 VanDerWaalsContact O-OG1 3.05Å
243A97.8Very high97.1Very high2 Ų213.8 Ų13.82%0.0178%0.076CC..Hα-helixtrans-62.9-41.417300000111.6V102 F103 R105 D240 T246 T247V102-A243 HydrophobicContact CG1-CB 3.78Å; F103-A243 WeakPolarHBondContact O-CB 3.49Å; R105-A243 HydrophobicContact CB-CB 3.78Å; D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 PolarHBondContact O-N 3.11Å; D240-A243 VanDerWaalsContact OD2-CB 3.25Å; D240-A243 WeakPolarHBondContact OD2-CB 3.43Å; D240-A243 PolarHBondContact OD2-N 3.04Å; A243-T246 PolarHBondContact O-OG1 3Å; A243-T246 VanDerWaalsContact O-OG1 3.06Å; A243-T247 WeakPolarHBondContact O-CB 3.31Å; A243-T247 WeakPolarHBondContact O-CG2 3.45Å; A243-T247 PolarHBondContact O-N 2.8Å; A243-T247 PolarHBondContact O-OG1 3.17Å
244A98Very high97.1Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-62-51.4178.600000112V102 H239 D240 E241 S242 T246 T247 I248V102-A244 HydrophobicContact CB-CB 4.2Å; V102-A244 HydrophobicContact CG2-CB 4.39Å; H239-A244 WeakPolarHBondContact CE1-CB 3.4Å; D240-A244 PolarHBondContact O-N 3.48Å; E241-A244 PolarHBondContact O-N 3.32Å; S242-A244 VanDerWaalsContact C-N 3.34Å; A244-T246 PolarHBondContact O-N 3.05Å; A244-T247 PolarHBondContact O-N 3.42Å; A244-T247 PolarHBondContact O-OG1 3.43Å; A244-T247 VanDerWaalsContact O-OG1 3.11Å; A244-I248 HydrophobicContact CB-CD1 4.42Å; A244-I248 VanDerWaalsContact O-CB 3.29Å; A244-I248 WeakPolarHBondContact O-CB 3.17Å; A244-I248 WeakPolarHBondContact O-CD1 3.29Å; A244-I248 WeakPolarHBondContact O-CG1 3.17Å; A244-I248 PolarHBondContact O-N 3.45Å
245L98Very high97Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-61.9-45.7-178-64.5-178.3000112.3E241 T247 A249 F305 M309 R378 M379 A382E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 HydrophobicContact CG-CG 4.19Å; E241-L245 VanDerWaalsContact O-CG 3.26Å; E241-L245 WeakPolarHBondContact O-CG 3.32Å; E241-L245 PolarHBondContact O-N 3.41Å; L245-T247 PolarHBondContact O-N 3.27Å; L245-A249 PolarHBondContact O-N 3.07Å; L245-A249 VanDerWaalsContact O-N 3.17Å; L245-F305 HydrophobicContact CB-CE2 4.07Å; L245-F305 HydrophobicContact CB-CZ 3.9Å; L245-F305 HydrophobicContact CD1-CD1 4.4Å; L245-F305 HydrophobicContact CD1-CD2 3.74Å; L245-F305 HydrophobicContact CD1-CE1 4.16Å; L245-F305 HydrophobicContact CD1-CE2 3.44Å; L245-F305 VanDerWaalsContact CD1-CE2 3.44Å; L245-F305 HydrophobicContact CD1-CG 4.22Å; L245-F305 HydrophobicContact CD1-CZ 3.68Å; L245-F305 HydrophobicContact CD2-CE1 4.46Å; L245-F305 HydrophobicContact CD2-CZ 4.34Å; L245-F305 HydrophobicContact CG-CE2 4.3Å; L245-F305 HydrophobicContact CG-CZ 4.18Å; L245-M309 HydrophobicContact CD1-CE 3.33Å; L245-M309 HydrophobicContact CD1-SD 3.85Å; L245-M309 HydrophobicContact CG-CE 4.14Å; L245-R378 HydrophobicContact CD1-CB 3.94Å; L245-R378 VanDerWaalsContact CD2-C 3.4Å; L245-R378 HydrophobicContact CD2-CB 3.74Å; L245-R378 WeakPolarHBondContact CD2-O 3.4Å; L245-M379 HydrophobicContact CD2-CB 4.37Å; L245-M379 HydrophobicContact CD2-CG 3.88Å; L245-A382 HydrophobicContact CB-CB 4.32Å; L245-A382 HydrophobicContact CD2-CB 4.06Å; L245-A382 WeakPolarHBondContact O-CB 3.31Å
246T98.4Very high96.9Very high11 Ų1122.1 Ų22.17%0.06711%0.107CC..Hα-helixtrans-61.7-45.4177.554.70000111.4S242 A243 A244 A249 E250 L271 L282S242-T246 WeakPolarHBondContact O-CG2 3.45Å; S242-T246 PolarHBondContact O-N 2.95Å; S242-T246 PolarHBondContact O-OG1 3.22Å; S242-T246 VanDerWaalsContact O-OG1 3.05Å; A243-T246 PolarHBondContact O-OG1 3Å; A243-T246 VanDerWaalsContact O-OG1 3.06Å; A244-T246 PolarHBondContact O-N 3.05Å; T246-A249 PolarHBondContact O-N 3.38Å; T246-E250 VanDerWaalsContact O-CG 3.25Å; T246-E250 WeakPolarHBondContact O-CG 3.12Å; T246-E250 PolarHBondContact O-N 3.01Å; T246-E250 VanDerWaalsContact O-N 3.14Å; T246-L271 HydrophobicContact CG2-CB 4.11Å; T246-L271 HydrophobicContact CG2-CD2 4.46Å; T246-L282 HydrophobicContact CG2-CD1 3.84Å
247T98.5Very high96.7Very high0 Ų021.2 Ų21.20%010%0.101CC..Hα-helixtrans-73.8-34.1-177.658.10000113L86 A219 A243 A244 L245 E250 R251L86-T247 HydrophobicContact CD2-CG2 3.89Å; A219-T247 HydrophobicContact CB-CG2 3.54Å; A243-T247 WeakPolarHBondContact O-CB 3.31Å; A243-T247 WeakPolarHBondContact O-CG2 3.45Å; A243-T247 PolarHBondContact O-N 2.8Å; A243-T247 PolarHBondContact O-OG1 3.17Å; A244-T247 PolarHBondContact O-N 3.42Å; A244-T247 PolarHBondContact O-OG1 3.43Å; A244-T247 VanDerWaalsContact O-OG1 3.11Å; L245-T247 PolarHBondContact O-N 3.27Å; T247-E250 PolarHBondContact O-N 2.83Å; T247-R251 VanDerWaalsContact O-CB 3.25Å; T247-R251 WeakPolarHBondContact O-CB 3.48Å; T247-R251 WeakPolarHBondContact O-CD 3.1Å; T247-R251 WeakPolarHBondContact O-CG 3.37Å; T247-R251 PolarHBondContact O-N 2.86Å
248I98.6Very high96.3Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-60-46.5173-74165.2000110.3A244 R251 S252 F363 M364 V366 M379 A382 Q383A244-I248 HydrophobicContact CB-CD1 4.42Å; A244-I248 VanDerWaalsContact O-CB 3.29Å; A244-I248 WeakPolarHBondContact O-CB 3.17Å; A244-I248 WeakPolarHBondContact O-CD1 3.29Å; A244-I248 WeakPolarHBondContact O-CG1 3.17Å; A244-I248 PolarHBondContact O-N 3.45Å; I248-R251 PolarHBondContact O-N 3.47Å; I248-S252 WeakPolarHBondContact O-CB 3.26Å; I248-S252 PolarHBondContact O-N 2.94Å; I248-F363 HydrophobicContact CD1-CB 3.99Å; I248-F363 HydrophobicContact CG1-CB 4.43Å; I248-F363 HydrophobicContact CG2-CB 4.22Å; I248-M364 HydrophobicContact CG2-CG 4.09Å; I248-V366 HydrophobicContact CD1-CB 4.21Å; I248-V366 HydrophobicContact CD1-CG1 4.47Å; I248-V366 HydrophobicContact CD1-CG2 4.43Å; I248-V366 HydrophobicContact CG1-CB 4.43Å; I248-V366 HydrophobicContact CG1-CG2 4.18Å; I248-M379 HydrophobicContact CD1-CB 3.93Å; I248-M379 HydrophobicContact CD1-CG 3.69Å; I248-M379 HydrophobicContact CD1-SD 3.99Å; I248-A382 HydrophobicContact CB-CB 4.36Å; I248-A382 HydrophobicContact CG2-CB 4.04Å; I248-Q383 HydrophobicContact CG2-CB 3.87Å
249A98.6Very high95.4Very high0 Ų021.8 Ų21.80%011%0.108CC..Hα-helixtrans-61.7-47.2177.600000112.1L245 T246 R251 S252 L253 L282 L284 A382 L385 G386L245-A249 PolarHBondContact O-N 3.07Å; L245-A249 VanDerWaalsContact O-N 3.17Å; T246-A249 PolarHBondContact O-N 3.38Å; A249-R251 PolarHBondContact O-N 3.36Å; A249-S252 PolarHBondContact O-N 3.36Å; A249-L253 PolarHBondContact O-N 3.47Å; A249-L253 VanDerWaalsContact O-N 3.09Å; A249-L282 HydrophobicContact CB-CD2 3.97Å; A249-L284 HydrophobicContact CB-CD2 4.18Å; A249-A382 WeakPolarHBondContact CA-O 3.17Å; A249-A382 HydrophobicContact CB-CB 4.37Å; A249-A382 VanDerWaalsContact CB-O 3.26Å; A249-A382 WeakPolarHBondContact CB-O 3.32Å; A249-L385 HydrophobicContact CB-CD2 4.15Å; A249-G386 VanDerWaalsContact O-CA 3.23Å; A249-G386 WeakPolarHBondContact O-CA 3.41Å
250E98.4Very high94.4Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-61.9-44.1177.7-66.7168.9-163.600112.3R105 V215 S216 T246 T247 L253 M254 V267 S269 L284R105-E250 IonicContact CZ-OE1 3.41Å; R105-E250 IonicContact CZ-OE2 3.86Å; R105-E250 IonicContact NH1-OE1 2.85Å; R105-E250 PolarHBondContact NH1-OE1 2.83Å; R105-E250 IonicContact NH1-OE2 3.98Å; R105-E250 PolarHBondContact NH1-OE2 3.27Å; R105-E250 IonicContact NH2-OE1 2.98Å; R105-E250 PolarHBondContact NH2-OE1 3.16Å; R105-E250 IonicContact NH2-OE2 3.7Å; R105-E250 PolarHBondContact NH2-OE2 2.7Å; R105-E250 VanDerWaalsContact NH2-OE2 3.11Å; V215-E250 HydrophobicContact CB-CB 4.48Å; V215-E250 HydrophobicContact CG1-CB 3.92Å; V215-E250 HydrophobicContact CG2-CB 4.42Å; S216-E250 WeakPolarHBondContact CA-OE2 3.47Å; S216-E250 PolarHBondContact N-OE2 3.12Å; T246-E250 VanDerWaalsContact O-CG 3.25Å; T246-E250 WeakPolarHBondContact O-CG 3.12Å; T246-E250 PolarHBondContact O-N 3.01Å; T246-E250 VanDerWaalsContact O-N 3.14Å; T247-E250 PolarHBondContact O-N 2.83Å; E250-L253 PolarHBondContact O-N 3.47Å; E250-M254 PolarHBondContact O-N 3.3Å; E250-M254 VanDerWaalsContact O-N 3.08Å; E250-V267 HydrophobicContact CB-CG2 4.23Å; E250-V267 HydrophobicContact CG-CB 4.12Å; E250-V267 HydrophobicContact CG-CG1 4.46Å; E250-V267 HydrophobicContact CG-CG2 3.76Å; E250-S269 WeakPolarHBondContact CG-OG 3.32Å; E250-S269 WeakPolarHBondContact OE1-CB 3.4Å; E250-S269 PolarHBondContact OE1-OG 2.72Å; E250-L284 HydrophobicContact CG-CD1 3.84Å
251R97.6Very high93.4Very high1 Ų126.7 Ų26.70%0.00415%0.148CC..Hα-helixtrans-68.3-38.8-180-70.6168.264.673.4-0.4111.6L86 V89 P90 V215 S216 T247 I248 A249 M254 R255 M364L86-R251 PolarHBondContact O-NH1 3.27Å; V89-R251 PolarHBondContact O-NH1 3.11Å; P90-R251 PolarHBondContact O-NH2 2.93Å; V215-R251 HydrophobicContact CG1-CG 3.9Å; S216-R251 WeakPolarHBondContact OG-CD 3.22Å; S216-R251 VanDerWaalsContact OG-CG 3.25Å; S216-R251 WeakPolarHBondContact OG-CG 3.48Å; T247-R251 VanDerWaalsContact O-CB 3.25Å; T247-R251 WeakPolarHBondContact O-CB 3.48Å; T247-R251 WeakPolarHBondContact O-CD 3.1Å; T247-R251 WeakPolarHBondContact O-CG 3.37Å; T247-R251 PolarHBondContact O-N 2.86Å; I248-R251 PolarHBondContact O-N 3.47Å; A249-R251 PolarHBondContact O-N 3.36Å; R251-M254 PolarHBondContact O-N 3.01Å; R251-R255 PolarHBondContact O-N 3.41Å; R251-M364 VanDerWaalsContact C-CE 3.44Å; R251-M364 HydrophobicContact CB-CB 4.06Å; R251-M364 HydrophobicContact CB-CE 3.92Å; R251-M364 HydrophobicContact CB-CG 4.24Å; R251-M364 PolarHBondContact NE-O 3.46Å; R251-M364 PolarHBondContact NH2-O 2.46Å; R251-M364 VanDerWaalsContact NH2-O 3.16Å; R251-M364 VanDerWaalsContact O-CE 3.27Å; R251-M364 WeakPolarHBondContact O-CE 3.19Å
252S97.8Very high92.6Very high3 Ų328.3 Ų28.32%0.02116%0.16CC..Hα-helixtrans-61.3-45.7176.2177.80000111.2I248 A249 M254 R255 Q256 M364 Q383 C387I248-S252 WeakPolarHBondContact O-CB 3.26Å; I248-S252 PolarHBondContact O-N 2.94Å; A249-S252 PolarHBondContact O-N 3.36Å; S252-M254 PolarHBondContact O-N 3.33Å; S252-R255 PolarHBondContact O-N 3.48Å; S252-Q256 WeakPolarHBondContact O-CG 3.38Å; S252-Q256 PolarHBondContact O-N 3.23Å; S252-M364 VanDerWaalsContact CA-SD 3.54Å; S252-Q383 WeakPolarHBondContact CB-O 3.47Å; S252-Q383 PolarHBondContact OG-O 3.36Å; S252-C387 PolarHBondContact OG-SG 3.2Å; S252-C387 VanDerWaalsContact OG-SG 3.36Å
253L97.6Very high92.2Very high0 Ų027.1 Ų27.10%015%0.151CC..Hα-helixtrans-55.7-50.3172.2172.1137.4000111.6A249 E250 R255 Q256 L257 I265 V267 L284 A286 G386 V389 A390 L393A249-L253 PolarHBondContact O-N 3.47Å; A249-L253 VanDerWaalsContact O-N 3.09Å; E250-L253 PolarHBondContact O-N 3.47Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.15Å; L253-Q256 PolarHBondContact O-N 3.47Å; L253-L257 HydrophobicContact CD2-CD1 3.73Å; L253-L257 HydrophobicContact CG-CD1 3.94Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 2.93Å; L253-L257 VanDerWaalsContact O-N 3.14Å; L253-I265 HydrophobicContact CD2-CG2 3.84Å; L253-V267 HydrophobicContact CD2-CG1 3.93Å; L253-L284 HydrophobicContact CB-CD2 4.23Å; L253-L284 HydrophobicContact CD1-CD2 4.13Å; L253-A286 HydrophobicContact CD1-CB 3.38Å; L253-A286 HydrophobicContact CD2-CB 4.12Å; L253-A286 HydrophobicContact CG-CB 4.42Å; L253-G386 WeakPolarHBondContact CA-O 3.13Å; L253-V389 HydrophobicContact CD1-CB 3.7Å; L253-V389 HydrophobicContact CD1-CG1 3.41Å; L253-V389 VanDerWaalsContact CD1-CG1 3.41Å; L253-A390 HydrophobicContact CG-CB 4.31Å; L253-L393 HydrophobicContact CD1-CD1 4.09Å
254M95.1Very high91.9Very high33 Ų3327 Ų2716%0.16315%0.151CC..Hα-helixtrans-60.8-41.9-178.9-170.6175.965.700112.1V215 E250 R251 S252 L257 D258 G259V215-M254 HydrophobicContact CB-SD 3.95Å; V215-M254 HydrophobicContact CG1-CB 4.29Å; V215-M254 HydrophobicContact CG1-CE 4.03Å; V215-M254 HydrophobicContact CG1-SD 3.98Å; V215-M254 HydrophobicContact CG2-CB 4.09Å; V215-M254 HydrophobicContact CG2-CG 4.46Å; V215-M254 HydrophobicContact CG2-SD 4.1Å; E250-M254 PolarHBondContact O-N 3.3Å; E250-M254 VanDerWaalsContact O-N 3.08Å; R251-M254 PolarHBondContact O-N 3.01Å; S252-M254 PolarHBondContact O-N 3.33Å; M254-L257 PolarHBondContact O-N 2.99Å; M254-D258 PolarHBondContact O-N 3.24Å; M254-G259 WeakPolarHBondContact O-CA 3.45Å; M254-G259 PolarHBondContact O-N 2.94Å
255R94.5Very high91.8Very high120 Ų12027.6 Ų27.645%0.45315%0.153SC..Hα-helixtrans-64.1-41178.1-178.5172.4178155.5-5112S91 T92 R251 S252 L253 L257 D258 M364S91-R255 PolarHBondContact O-NH1 3.32Å; S91-R255 VanDerWaalsContact O-NH1 3.1Å; T92-R255 PolarHBondContact OG1-NH1 3.09Å; R251-R255 PolarHBondContact O-N 3.41Å; S252-R255 PolarHBondContact O-N 3.48Å; L253-R255 VanDerWaalsContact C-N 3.33Å; L253-R255 PolarHBondContact O-N 3.15Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.01Å; R255-D258 PolarHBondContact O-N 3.27Å; R255-D258 VanDerWaalsContact O-N 3.08Å; R255-M364 HydrophobicContact CB-CE 3.7Å; R255-M364 HydrophobicContact CG-CE 4.29Å
256Q94.6Very high91.7Very high98 Ų9827.6 Ų27.646%0.45815%0.153SC..Hα-helixtrans-71.1-25.8-179.8-71.2-65.552.500114.3S252 L253 D258 C387 A390S252-Q256 WeakPolarHBondContact O-CG 3.38Å; S252-Q256 PolarHBondContact O-N 3.23Å; L253-Q256 PolarHBondContact O-N 3.47Å; Q256-D258 PolarHBondContact O-N 3.12Å; Q256-C387 HydrophobicContact CG-CB 4.43Å; Q256-A390 HydrophobicContact CB-CB 3.64Å
257L92.8Very high91.7Very high4 Ų427 Ų272%0.02115%0.15CC..THydrogen-bonded Turntrans-80.6-0.4172.5-63.5168.7000112.5L253 M254 R255 G259 I265 I288 A390 L393 L394 L402 R406L253-L257 HydrophobicContact CD2-CD1 3.73Å; L253-L257 HydrophobicContact CG-CD1 3.94Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 2.93Å; L253-L257 VanDerWaalsContact O-N 3.14Å; M254-L257 PolarHBondContact O-N 2.99Å; R255-L257 VanDerWaalsContact C-N 3.31Å; R255-L257 PolarHBondContact O-N 3.01Å; L257-G259 PolarHBondContact O-N 3.44Å; L257-I265 HydrophobicContact CB-CD1 4.15Å; L257-I265 HydrophobicContact CD1-CD1 3.96Å; L257-I265 HydrophobicContact CD1-CG1 4.49Å; L257-I265 HydrophobicContact CD1-CG2 4.43Å; L257-I288 HydrophobicContact CD1-CD1 3.7Å; L257-I288 HydrophobicContact CD1-CG1 4.29Å; L257-I288 HydrophobicContact CD2-CD1 3.82Å; L257-I288 HydrophobicContact CG-CD1 4.33Å; L257-A390 HydrophobicContact CD2-CB 4.14Å; L257-A390 HydrophobicContact CG-CB 4.04Å; L257-L393 HydrophobicContact CD1-CD1 4.08Å; L257-L393 HydrophobicContact CD2-CB 4.47Å; L257-L394 HydrophobicContact CD2-CD1 4.46Å; L257-L394 HydrophobicContact CD2-CD2 4.07Å; L257-L394 HydrophobicContact CD2-CG 3.98Å; L257-L402 HydrophobicContact CD2-CD1 4.36Å; L257-R406 PolarHBondContact O-NH2 3.11Å
258D85.4Confident91.7Very high95 Ų9530.9 Ų30.951%0.50816%0.164SC..THydrogen-bonded Turntrans43.149-161.5-175.738.1000110.5K63 M254 R255 Q256 I263 R406K63-D258 IonicContact NZ-OD1 3.92Å; M254-D258 PolarHBondContact O-N 3.24Å; R255-D258 PolarHBondContact O-N 3.27Å; R255-D258 VanDerWaalsContact O-N 3.08Å; Q256-D258 PolarHBondContact O-N 3.12Å; D258-I263 WeakPolarHBondContact O-CD1 3.44Å; D258-R406 PolarHBondContact O-NH2 3.4Å; D258-R406 VanDerWaalsContact O-NH2 3.12Å; D258-R406 IonicContact OD2-NH2 3.52Å
259G77.5Confident91.6Very high8 Ų831.6 Ų31.68%0.08217%0.169CC..  trans-75.6146179.900000111.8M254 L257M254-G259 WeakPolarHBondContact O-CA 3.45Å; M254-G259 PolarHBondContact O-N 2.94Å; L257-G259 PolarHBondContact O-N 3.44Å
260G75.8Confident91.5Very high22 Ų2234.4 Ų34.423%0.22718%0.184CC..  trans-150.1-176.2172.100000111.1S262 I263G260-S262 PolarHBondContact O-N 3.28Å; G260-I263 PolarHBondContact O-N 3Å
261C74.7Confident91.3Very high118 Ų11835.9 Ų35.980%0.79719%0.192SC*.THydrogen-bonded Turntrans-61.2-15.5-176.5-59.80000114.7
262S79.2Confident91.1Very high42 Ų4238.5 Ų38.529%0.29421%0.208SC..THydrogen-bonded Turntrans-87-15.917850.30000114.1G260G260-S262 PolarHBondContact O-N 3.28Å
263I86.8Confident90.7Very high13 Ų1342.5 Ų42.57%0.06723%0.229CC..SBendtrans-97.8130.1-175.2-58.2170.4000109.2D258 G260 I265 L402 I405D258-I263 WeakPolarHBondContact O-CD1 3.44Å; G260-I263 PolarHBondContact O-N 3Å; I263-I265 HydrophobicContact CB-CD1 4.27Å; I263-I265 HydrophobicContact CB-CG1 4.21Å; I263-I265 HydrophobicContact CG2-CD1 3.93Å; I263-I265 HydrophobicContact CG2-CG1 3.63Å; I263-I265 PolarHBondContact O-N 2.86Å; I263-L402 HydrophobicContact CD1-CD2 3.96Å; I263-L402 HydrophobicContact CG1-CD2 4.5Å; I263-L402 HydrophobicContact CG2-CD2 3.5Å; I263-L402 VanDerWaalsContact CG2-CD2 3.5Å; I263-I405 HydrophobicContact CG1-CG2 4.35Å; I263-I405 HydrophobicContact CG2-CD1 4.15Å
264P92.6Very high90Very high0 Ų046.1 Ų46.10%025%0.245CC..  trans-70.863.4178.1-17.933.7000113.7V137 A141 L289 I405V137-P264 HydrophobicContact CB-CG 4.45Å; V137-P264 HydrophobicContact CG1-CG 3.77Å; A141-P264 HydrophobicContact CB-CB 3.95Å; A141-P264 HydrophobicContact CB-CG 4.26Å; P264-L289 HydrophobicContact CB-CB 4.04Å; P264-L289 HydrophobicContact CB-CD1 4.48Å; P264-L289 WeakPolarHBondContact CB-O 3.22Å; P264-L289 WeakPolarHBondContact CG-O 3.08Å; P264-L289 PolarHBondContact O-N 3.46Å; P264-L289 VanDerWaalsContact O-N 3.16Å; P264-I405 HydrophobicContact CG-CD1 4.42Å
265I94.6Very high88.8Confident11 Ų1147.2 Ų47.26%0.05626%0.264CS..EExtended strand (participates in β ladder)trans-93.9120.3175.7-56.7172.1000109.2R138 L253 L257 I263 N287 I288R138-I265 WeakPolarHBondContact CD-O 3.48Å; L253-I265 HydrophobicContact CD2-CG2 3.84Å; L257-I265 HydrophobicContact CB-CD1 4.15Å; L257-I265 HydrophobicContact CD1-CD1 3.96Å; L257-I265 HydrophobicContact CD1-CG1 4.49Å; L257-I265 HydrophobicContact CD1-CG2 4.43Å; I263-I265 HydrophobicContact CB-CD1 4.27Å; I263-I265 HydrophobicContact CB-CG1 4.21Å; I263-I265 HydrophobicContact CG2-CD1 3.93Å; I263-I265 HydrophobicContact CG2-CG1 3.63Å; I263-I265 PolarHBondContact O-N 2.86Å; I265-N287 WeakPolarHBondContact CA-O 3.43Å; I265-I288 HydrophobicContact CG1-CG1 4.28Å
266G96.9Very high87.8Confident0 Ų049.3 Ų49.30%028%0.284CS..EExtended strand (participates in β ladder)trans-110149.317000000111.9Y213 A286 N287Y213-G266 WeakPolarHBondContact O-CA 3.4Å; G266-A286 CarbonylContact O-C 3.59Å; G266-A286 VanDerWaalsContact O-CA 3.23Å; G266-A286 WeakPolarHBondContact O-CA 3.12Å; G266-N287 WeakPolarHBondContact CA-OD1 3.42Å; G266-N287 PolarHBondContact N-O 2.86Å; G266-N287 PolarHBondContact N-OD1 2.92Å; G266-N287 PolarHBondContact O-N 3.37Å; G266-N287 PolarHBondContact O-OD1 3.17Å
267V98.1Very high86.3Confident0 Ų051.8 Ų51.80%030%0.3CS..EExtended strand (participates in β ladder)trans-132.6157.5175.2-63.90000111.8Y213 V215 E250 L253 L284 H285 A286Y213-V267 HydrophobicContact CD2-CG2 3.76Å; Y213-V267 VanDerWaalsContact CD2-O 3.22Å; Y213-V267 WeakPolarHBondContact CD2-O 3.33Å; Y213-V267 HydrophobicContact CE2-CG2 3.76Å; Y213-V267 WeakPolarHBondContact CE2-O 3.45Å; Y213-V267 PolarHBondContact N-O 3.35Å; Y213-V267 PolarHBondContact O-N 2.93Å; V215-V267 HydrophobicContact CB-CG2 4.48Å; V215-V267 HydrophobicContact CG2-CG1 3.78Å; V215-V267 HydrophobicContact CG2-CG2 3.95Å; E250-V267 HydrophobicContact CB-CG2 4.23Å; E250-V267 HydrophobicContact CG-CB 4.12Å; E250-V267 HydrophobicContact CG-CG1 4.46Å; E250-V267 HydrophobicContact CG-CG2 3.76Å; L253-V267 HydrophobicContact CD2-CG1 3.93Å; V267-L284 HydrophobicContact CB-CD1 4.24Å; V267-L284 HydrophobicContact CG1-CD1 4.4Å; V267-H285 CarbonylContact C-O 3.59Å; V267-H285 VanDerWaalsContact CA-O 3.28Å; V267-H285 WeakPolarHBondContact CA-O 3.45Å; V267-A286 HydrophobicContact CG1-CB 4.15Å
268R98.1Very high85.4Confident80 Ų8055.6 Ų55.630%0.30232%0.32SS..EExtended strand (participates in β ladder)trans-143.3127.6164.3-172.3-175.375.9-167.8-7.2109F212 Y213 D270 H285F212-R268 HydrophobicContact CD1-CB 4.29Å; F212-R268 HydrophobicContact CE1-CB 4.48Å; Y213-R268 HydrophobicContact CE1-CB 4.27Å; Y213-R268 HydrophobicContact CE1-CG 4Å; R268-D270 IonicContact CZ-OD2 3.21Å; R268-D270 IonicContact NE-OD1 3.82Å; R268-D270 IonicContact NE-OD2 3.81Å; R268-D270 PolarHBondContact NE-OD2 2.94Å; R268-D270 IonicContact NH2-OD2 2.77Å; R268-H285 HydrophobicContact CB-CB 4.24Å; R268-H285 PolarHBondContact N-O 3.23Å; R268-H285 PolarHBondContact NH2-CD2 2.9Å; R268-H285 PolarHBondContact NH2-CE1 3.19Å; R268-H285 PolarHBondContact NH2-NE2 3.05Å; R268-H285 PolarHBondContact O-N 3.29Å
269S98Very high85.3Confident15 Ų1554.6 Ų54.611%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-114.5125178.8-61.70000110.4Y213 E250 T283Y213-S269 PolarHBondContact OH-N 3.25Å; E250-S269 WeakPolarHBondContact CG-OG 3.32Å; E250-S269 WeakPolarHBondContact OE1-CB 3.4Å; E250-S269 PolarHBondContact OE1-OG 2.72Å; S269-T283 WeakPolarHBondContact CA-O 3.24Å
270D95.9Very high85.9Confident59 Ų5956.8 Ų56.832%0.31632%0.316SS..EExtended strand (participates in β ladder)trans-116.3103.5178.3-62.9-66.7000108.5R268 L282 T283 H285R268-D270 IonicContact CZ-OD2 3.21Å; R268-D270 IonicContact NE-OD1 3.82Å; R268-D270 IonicContact NE-OD2 3.81Å; R268-D270 PolarHBondContact NE-OD2 2.94Å; R268-D270 IonicContact NH2-OD2 2.77Å; D270-L282 WeakPolarHBondContact O-CA 3.16Å; D270-T283 PolarHBondContact N-O 2.9Å; D270-T283 PolarHBondContact O-N 2.7Å; D270-H285 IonicContact OD2-CD2 3.62Å; D270-H285 PolarHBondContact OD2-CD2 2.91Å; D270-H285 IonicContact OD2-NE2 3.56Å; D270-H285 PolarHBondContact OD2-NE2 3.19Å
271L94.8Very high86.8Confident32 Ų3256.9 Ų56.917%0.16831%0.311CS..EExtended strand (participates in β ladder)trans-100.2111.6176.4-174.967.2000109.2T246 Y280 Q281 L282 F305 M309T246-L271 HydrophobicContact CG2-CB 4.11Å; T246-L271 HydrophobicContact CG2-CD2 4.46Å; L271-Y280 HydrophobicContact CD1-CD1 4.3Å; L271-Y280 HydrophobicContact CD2-CD1 4.42Å; L271-Y280 HydrophobicContact CG-CD1 4.03Å; L271-Q281 WeakPolarHBondContact CA-O 3.28Å; L271-L282 HydrophobicContact CB-CD1 4.24Å; L271-L282 HydrophobicContact CD1-CB 3.92Å; L271-L282 HydrophobicContact CD1-CD1 4.33Å; L271-F305 HydrophobicContact CD1-CD2 4.13Å; L271-F305 HydrophobicContact CD1-CE2 3.77Å; L271-M309 HydrophobicContact CD2-SD 4.27Å
272V92.3Very high87.8Confident55 Ų5551.3 Ų51.333%0.33327%0.273SS..EExtended strand (participates in β ladder)trans-125.3135.9-172.4-56.60000111.5K274 Y280 Q281V272-K274 HydrophobicContact CG2-CD 4.02Å; V272-K274 HydrophobicContact CG2-CG 4.15Å; V272-Y280 WeakPolarHBondContact O-CA 3.43Å; V272-Q281 HydrophobicContact CG2-CB 4.03Å; V272-Q281 PolarHBondContact N-O 2.78Å; V272-Q281 PolarHBondContact O-N 3.27Å
273L89.3Confident88.7Confident87 Ų8750.1 Ų50.146%0.45526%0.264SS..EExtended strand (participates in β ladder)trans-70.7134.1168-168.867.9000109N278 Y280L273-N278 HydrophobicContact CD1-CB 4.31Å; L273-Y280 HydrophobicContact CB-CE1 4.26Å; L273-Y280 HydrophobicContact CD1-CD1 4.36Å; L273-Y280 HydrophobicContact CD1-CD2 4.04Å; L273-Y280 HydrophobicContact CD1-CE1 4.06Å; L273-Y280 HydrophobicContact CD1-CE2 3.69Å; L273-Y280 HydrophobicContact CD1-CG 4.37Å
274K82.5Confident89.3Confident76 Ų7649.5 Ų49.533%0.3326%0.261SS..EExtended strand (participates in β ladder)trans-123.8129.2-176.3-71.9-63.7-163.8-175.60111.3V272 Y279 Q281V272-K274 HydrophobicContact CG2-CD 4.02Å; V272-K274 HydrophobicContact CG2-CG 4.15Å; K274-Y279 HydrophobicContact CB-CD2 3.65Å; K274-Y279 HydrophobicContact CB-CE1 4.19Å; K274-Y279 HydrophobicContact CB-CE2 3.14Å; K274-Y279 HydrophobicContact CB-CG 4.39Å; K274-Y279 VanDerWaalsContact CB-CZ 3.42Å; K274-Y279 HydrophobicContact CG-CD2 4.36Å; K274-Y279 HydrophobicContact CG-CE2 3.83Å; K274-Y279 PolarHBondContact N-O 3Å; K274-Y279 WeakPolarHBondContact O-CD1 3.34Å; K274-Y279 VanDerWaalsContact O-CE1 3.24Å; K274-Y279 WeakPolarHBondContact O-CE1 3.38Å; K274-Q281 VanDerWaalsContact CE-OE1 3.25Å; K274-Q281 HydrophobicContact CG-CB 3.8Å
275G70.4Confident89.6Confident56 Ų5651.4 Ų51.458%0.57727%0.27SS*.THydrogen-bonded Turntrans62-177173.900000114.3L277G275-L277 PolarHBondContact O-N 3.41Å
276D72.9Confident89.7Confident164 Ų16450.9 Ų50.988%0.87727%0.267SS*.THydrogen-bonded Turntrans-74.5-15.2-179.2-55.8-33.9000112.8N278D276-N278 VanDerWaalsContact C-N 3.27Å; D276-N278 PolarHBondContact O-N 3.48Å
277L63.5Low89.7Confident151 Ų15151.1 Ų51.179%0.79127%0.268SS*.THydrogen-bonded Turntrans-82.64.9-175.4-64.9176.8000114.2G275 Y279G275-L277 PolarHBondContact O-N 3.41Å; L277-Y279 VanDerWaalsContact C-N 3.3Å; L277-Y279 HydrophobicContact CB-CD1 3.94Å; L277-Y279 HydrophobicContact CB-CE1 4.26Å; L277-Y279 PolarHBondContact O-N 2.69Å
278N74.1Confident89.7Confident83 Ų8351.1 Ų51.144%0.44427%0.268SS..THydrogen-bonded Turntrans55.433.2175-67.6-35.9000116.1L273 D276 K308L273-N278 HydrophobicContact CD1-CB 4.31Å; D276-N278 VanDerWaalsContact C-N 3.27Å; D276-N278 PolarHBondContact O-N 3.48Å; N278-K308 HydrophobicContact CB-CB 4.5Å
279Y82.9Confident89.5Confident74 Ų7447.4 Ų47.429%0.2926%0.255SS..EExtended strand (participates in β ladder)trans-90.6151.217164-91.1000111.4K274 L277 V304K274-Y279 HydrophobicContact CB-CD2 3.65Å; K274-Y279 HydrophobicContact CB-CE1 4.19Å; K274-Y279 HydrophobicContact CB-CE2 3.14Å; K274-Y279 HydrophobicContact CB-CG 4.39Å; K274-Y279 VanDerWaalsContact CB-CZ 3.42Å; K274-Y279 HydrophobicContact CG-CD2 4.36Å; K274-Y279 HydrophobicContact CG-CE2 3.83Å; K274-Y279 PolarHBondContact N-O 3Å; K274-Y279 WeakPolarHBondContact O-CD1 3.34Å; K274-Y279 VanDerWaalsContact O-CE1 3.24Å; K274-Y279 WeakPolarHBondContact O-CE1 3.38Å; L277-Y279 VanDerWaalsContact C-N 3.3Å; L277-Y279 HydrophobicContact CB-CD1 3.94Å; L277-Y279 HydrophobicContact CB-CE1 4.26Å; L277-Y279 PolarHBondContact O-N 2.69Å; Y279-V304 HydrophobicContact CD2-CG1 3.4Å; Y279-V304 HydrophobicContact CD2-CG2 4.42Å; Y279-V304 HydrophobicContact CE2-CG1 3.97Å; Y279-V304 HydrophobicContact CE2-CG2 4.29Å; Y279-V304 HydrophobicContact CG-CG1 4.12Å
280Y91Very high89.3Confident55 Ų5547.1 Ų47.122%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-103.5134.4178.9-73.1-94.9000111L271 V272 L273 F305 M309L271-Y280 HydrophobicContact CD1-CD1 4.3Å; L271-Y280 HydrophobicContact CD2-CD1 4.42Å; L271-Y280 HydrophobicContact CG-CD1 4.03Å; V272-Y280 WeakPolarHBondContact O-CA 3.43Å; L273-Y280 HydrophobicContact CB-CE1 4.26Å; L273-Y280 HydrophobicContact CD1-CD1 4.36Å; L273-Y280 HydrophobicContact CD1-CD2 4.04Å; L273-Y280 HydrophobicContact CD1-CE1 4.06Å; L273-Y280 HydrophobicContact CD1-CE2 3.69Å; L273-Y280 HydrophobicContact CD1-CG 4.37Å; Y280-F305 PolarHBondContact O-N 2.84Å; Y280-M309 HydrophobicContact CD1-SD 4.27Å; Y280-M309 HydrophobicContact CD2-CB 4.1Å; Y280-M309 HydrophobicContact CD2-CG 3.66Å; Y280-M309 HydrophobicContact CD2-SD 3.83Å; Y280-M309 HydrophobicContact CE2-CB 3.85Å; Y280-M309 HydrophobicContact CE2-CG 3.95Å; Y280-M309 HydrophobicContact CE2-SD 4.25Å; Y280-M309 HydrophobicContact CG-CG 4.26Å; Y280-M309 HydrophobicContact CG-SD 3.83Å
281Q93.8Very high89.1Confident24 Ų2446.9 Ų46.911%0.11225%0.253CS..EExtended strand (participates in β ladder)trans-105.5127.3168.4-175.2-171.9-58.500109.1L271 V272 K274 T283 V303 V304L271-Q281 WeakPolarHBondContact CA-O 3.28Å; V272-Q281 HydrophobicContact CG2-CB 4.03Å; V272-Q281 PolarHBondContact N-O 2.78Å; V272-Q281 PolarHBondContact O-N 3.27Å; K274-Q281 VanDerWaalsContact CE-OE1 3.25Å; K274-Q281 HydrophobicContact CG-CB 3.8Å; Q281-T283 PolarHBondContact NE2-OG1 2.8Å; Q281-V303 CarbonylContact C-O 3.55Å; Q281-V303 WeakPolarHBondContact CA-O 3.49Å; Q281-V303 WeakPolarHBondContact CG-O 3.37Å; Q281-V304 HydrophobicContact CB-CG2 4.32Å; Q281-V304 HydrophobicContact CG-CG2 4.23Å
282L96.6Very high88.8Confident0 Ų050.6 Ų50.60%027%0.273CS..EExtended strand (participates in β ladder)trans-102.8123.4169.9177.958.9000109.3T246 A249 D270 L271 S302 V303 F305 L385T246-L282 HydrophobicContact CG2-CD1 3.84Å; A249-L282 HydrophobicContact CB-CD2 3.97Å; D270-L282 WeakPolarHBondContact O-CA 3.16Å; L271-L282 HydrophobicContact CB-CD1 4.24Å; L271-L282 HydrophobicContact CD1-CB 3.92Å; L271-L282 HydrophobicContact CD1-CD1 4.33Å; L282-S302 CarbonylContact O-C 3.51Å; L282-S302 WeakPolarHBondContact O-CA 3.34Å; L282-V303 HydrophobicContact CB-CG2 4.17Å; L282-V303 PolarHBondContact N-O 3.03Å; L282-V303 PolarHBondContact O-N 2.79Å; L282-F305 HydrophobicContact CB-CE2 3.64Å; L282-F305 HydrophobicContact CB-CZ 3.86Å; L282-F305 HydrophobicContact CD2-CE2 4.15Å; L282-F305 HydrophobicContact CD2-CZ 3.76Å; L282-F305 HydrophobicContact CG-CZ 4.48Å; L282-L385 HydrophobicContact CB-CD2 4.34Å; L282-L385 HydrophobicContact CD2-CD2 3.74Å; L282-L385 HydrophobicContact CG-CD2 3.71Å
283T98.1Very high88.7Confident18 Ų1848.1 Ų48.111%0.1126%0.258CS..EExtended strand (participates in β ladder)trans-107125.5166.8-55.30000109S269 D270 Q281 H285 A301 S302S269-T283 WeakPolarHBondContact CA-O 3.24Å; D270-T283 PolarHBondContact N-O 2.9Å; D270-T283 PolarHBondContact O-N 2.7Å; Q281-T283 PolarHBondContact NE2-OG1 2.8Å; T283-H285 VanDerWaalsContact CG2-NE2 3.32Å; T283-H285 WeakPolarHBondContact CG2-NE2 3.34Å; T283-A301 WeakPolarHBondContact CA-O 3.19Å; T283-S302 WeakPolarHBondContact CB-OG 3.33Å; T283-S302 WeakPolarHBondContact CG2-OG 3.45Å; T283-S302 PolarHBondContact OG1-OG 2.63Å
284L98.6Very high88.9Confident0 Ų046.4 Ų46.40%026%0.262CS..EExtended strand (participates in β ladder)trans-107.1117.5172.4176.664.5000108.6A249 E250 L253 V267 S300 A301 L385 V389A249-L284 HydrophobicContact CB-CD2 4.18Å; E250-L284 HydrophobicContact CG-CD1 3.84Å; L253-L284 HydrophobicContact CB-CD2 4.23Å; L253-L284 HydrophobicContact CD1-CD2 4.13Å; V267-L284 HydrophobicContact CB-CD1 4.24Å; V267-L284 HydrophobicContact CG1-CD1 4.4Å; L284-S300 WeakPolarHBondContact O-CA 3.4Å; L284-S300 WeakPolarHBondContact O-CB 3.19Å; L284-A301 PolarHBondContact N-O 2.88Å; L284-A301 PolarHBondContact O-N 2.73Å; L284-A301 VanDerWaalsContact O-N 3.1Å; L284-L385 HydrophobicContact CB-CD1 4.41Å; L284-L385 HydrophobicContact CB-CD2 3.69Å; L284-L385 HydrophobicContact CB-CG 3.99Å; L284-L385 HydrophobicContact CD2-CG 4.46Å; L284-V389 HydrophobicContact CB-CG2 4.29Å; L284-V389 HydrophobicContact CD2-CB 4.31Å; L284-V389 HydrophobicContact CD2-CG2 4.15Å; L284-V389 HydrophobicContact CG-CG2 4.31Å
285H98.5Very high89.5Confident40 Ų4047 Ų4719%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-99.5142166.4-54.5-97.1000109F212 V267 R268 D270 T283 R299 S300F212-H285 HydrophobicContact CE1-CB 3.63Å; F212-H285 HydrophobicContact CZ-CB 4.25Å; V267-H285 CarbonylContact C-O 3.59Å; V267-H285 VanDerWaalsContact CA-O 3.28Å; V267-H285 WeakPolarHBondContact CA-O 3.45Å; R268-H285 HydrophobicContact CB-CB 4.24Å; R268-H285 PolarHBondContact N-O 3.23Å; R268-H285 PolarHBondContact NH2-CD2 2.9Å; R268-H285 PolarHBondContact NH2-CE1 3.19Å; R268-H285 PolarHBondContact NH2-NE2 3.05Å; R268-H285 PolarHBondContact O-N 3.29Å; D270-H285 IonicContact OD2-CD2 3.62Å; D270-H285 PolarHBondContact OD2-CD2 2.91Å; D270-H285 IonicContact OD2-NE2 3.56Å; D270-H285 PolarHBondContact OD2-NE2 3.19Å; T283-H285 VanDerWaalsContact CG2-NE2 3.32Å; T283-H285 WeakPolarHBondContact CG2-NE2 3.34Å; H285-R299 WeakPolarHBondContact CA-O 3.23Å; H285-S300 VanDerWaalsContact ND1-CB 3.27Å; H285-S300 WeakPolarHBondContact ND1-CB 3.47Å
286A98.2Very high90.7Very high0 Ų046.1 Ų46.10%025%0.249CC..EExtended strand (participates in β ladder)trans-145.4150.5174.600000111.5L253 G266 V267 E298 R299 V389 L393L253-A286 HydrophobicContact CD1-CB 3.38Å; L253-A286 HydrophobicContact CD2-CB 4.12Å; L253-A286 HydrophobicContact CG-CB 4.42Å; G266-A286 CarbonylContact O-C 3.59Å; G266-A286 VanDerWaalsContact O-CA 3.23Å; G266-A286 WeakPolarHBondContact O-CA 3.12Å; V267-A286 HydrophobicContact CG1-CB 4.15Å; A286-E298 WeakPolarHBondContact O-CA 3.37Å; A286-R299 PolarHBondContact N-O 2.9Å; A286-R299 PolarHBondContact O-N 3.11Å; A286-V389 HydrophobicContact CB-CG1 3.9Å; A286-L393 HydrophobicContact CB-CD1 3.98Å
287N96.8Very high91.8Very high4 Ų439.5 Ų39.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-134154.9170.871-6.3000112.7F212 I265 G266 I297 E298F212-N287 HydrophobicContact CD2-CB 4.32Å; F212-N287 WeakPolarHBondContact CD2-ND2 3.32Å; F212-N287 HydrophobicContact CE1-CB 4.46Å; F212-N287 HydrophobicContact CE2-CB 4.18Å; F212-N287 HydrophobicContact CZ-CB 4.26Å; I265-N287 WeakPolarHBondContact CA-O 3.43Å; G266-N287 WeakPolarHBondContact CA-OD1 3.42Å; G266-N287 PolarHBondContact N-O 2.86Å; G266-N287 PolarHBondContact N-OD1 2.92Å; G266-N287 PolarHBondContact O-N 3.37Å; G266-N287 PolarHBondContact O-OD1 3.17Å; N287-I297 CarbonylContact C-O 3.57Å; N287-I297 WeakPolarHBondContact CA-O 3.27Å; N287-E298 HydrophobicContact CB-CB 4.16Å; N287-E298 HydrophobicContact CB-CG 3.62Å; N287-E298 PolarHBondContact ND2-OE1 2.73Å; N287-E298 VanDerWaalsContact ND2-OE1 3.1Å
288I96.3Very high93.4Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-128.2127.5173.2-62.4169.7000107L257 I265 S296 I297 L393 A398 I401L257-I288 HydrophobicContact CD1-CD1 3.7Å; L257-I288 HydrophobicContact CD1-CG1 4.29Å; L257-I288 HydrophobicContact CD2-CD1 3.82Å; L257-I288 HydrophobicContact CG-CD1 4.33Å; I265-I288 HydrophobicContact CG1-CG1 4.28Å; I288-S296 WeakPolarHBondContact O-CA 3.37Å; I288-I297 PolarHBondContact N-O 3.49Å; I288-I297 PolarHBondContact O-N 2.85Å; I288-L393 HydrophobicContact CD1-CB 4.13Å; I288-L393 HydrophobicContact CD1-CD1 3.88Å; I288-L393 HydrophobicContact CD1-CD2 4.46Å; I288-L393 HydrophobicContact CD1-CG 4.39Å; I288-L393 HydrophobicContact CG1-CD1 4.21Å; I288-A398 HydrophobicContact CD1-CB 3.58Å; I288-I401 HydrophobicContact CG2-CB 4.36Å; I288-I401 HydrophobicContact CG2-CG2 3.9Å
289L95.4Very high94.6Very high3 Ų336.6 Ų36.62%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-115.3153177.7-55.894.6000111.5A141 P264 K295A141-L289 HydrophobicContact CB-CB 3.93Å; A141-L289 HydrophobicContact CB-CD2 4.33Å; P264-L289 HydrophobicContact CB-CB 4.04Å; P264-L289 HydrophobicContact CB-CD1 4.48Å; P264-L289 WeakPolarHBondContact CB-O 3.22Å; P264-L289 WeakPolarHBondContact CG-O 3.08Å; P264-L289 PolarHBondContact O-N 3.46Å; P264-L289 VanDerWaalsContact O-N 3.16Å; L289-K295 VanDerWaalsContact CA-O 3.27Å; L289-K295 WeakPolarHBondContact CA-O 3.48Å
290S94Very high95.3Very high8 Ų836.1 Ų36.16%0.05620%0.198CC..  trans-64.5157.8160.956.20000110.3A141 D292 G293 G294 K295A141-S290 WeakPolarHBondContact CB-O 3.47Å; S290-D292 VanDerWaalsContact CB-OD1 3.3Å; S290-D292 WeakPolarHBondContact CB-OD1 3.22Å; S290-D292 PolarHBondContact O-N 3.22Å; S290-D292 PolarHBondContact OG-OD1 3.38Å; S290-G293 PolarHBondContact O-N 3Å; S290-G294 PolarHBondContact OG-N 2.93Å; S290-K295 PolarHBondContact N-O 2.89Å; S290-K295 PolarHBondContact OG-N 2.86Å
291V90.2Very high95.6Very high54 Ų5434.8 Ų34.833%0.32720%0.198SC..THydrogen-bonded Turntrans-56.6-36.5-176.6-179.80000112.4V137 G293 I405V137-V291 HydrophobicContact CG1-CG1 3.92Å; V137-V291 HydrophobicContact CG1-CG2 4.47Å; V291-G293 VanDerWaalsContact C-N 3.32Å; V291-I405 HydrophobicContact CG2-CG1 3.84Å; V291-I405 HydrophobicContact CG2-CG2 4.37Å
292D90.2Very high95.8Very high111 Ų11136.7 Ų36.759%0.59421%0.214SC*.THydrogen-bonded Turntrans-80.8-8177.665.2-2.8000113.8S290 G294S290-D292 VanDerWaalsContact CB-OD1 3.3Å; S290-D292 WeakPolarHBondContact CB-OD1 3.22Å; S290-D292 PolarHBondContact O-N 3.22Å; S290-D292 PolarHBondContact OG-OD1 3.38Å; D292-G294 VanDerWaalsContact C-N 3.26Å; D292-G294 PolarHBondContact O-N 3.36Å; D292-G294 PolarHBondContact OD1-N 3.05Å
293G90.3Very high95.7Very high2 Ų237.9 Ų37.92%0.02122%0.221CC..SBendtrans763.9-17600000115.4A141 R145 S290 V291A141-G293 WeakPolarHBondContact O-CA 3.31Å; R145-G293 PolarHBondContact NH1-O 3.31Å; S290-G293 PolarHBondContact O-N 3Å; V291-G293 VanDerWaalsContact C-N 3.32Å
294G92.4Very high95.4Very high52 Ų5238.3 Ų38.354%0.53622%0.224SC..SBendtrans-65.7-43.2-178.400000113.3R145 S290 D292R145-G294 PolarHBondContact NH1-O 2.67Å; S290-G294 PolarHBondContact OG-N 2.93Å; D292-G294 VanDerWaalsContact C-N 3.26Å; D292-G294 PolarHBondContact O-N 3.36Å; D292-G294 PolarHBondContact OD1-N 3.05Å
295K94.6Very high95.2Very high89 Ų8938.3 Ų38.339%0.38722%0.224SC..  trans-100.4143.4174.3-59.1178.3-175.11730110.3L289 S290 I401 E404L289-K295 VanDerWaalsContact CA-O 3.27Å; L289-K295 WeakPolarHBondContact CA-O 3.48Å; S290-K295 PolarHBondContact N-O 2.89Å; S290-K295 PolarHBondContact OG-N 2.86Å; K295-I401 HydrophobicContact CB-CD1 3.86Å; K295-I401 HydrophobicContact CB-CG1 4.26Å; K295-I401 HydrophobicContact CD-CG1 4.26Å; K295-E404 IonicContact NZ-OE1 3.59Å; K295-E404 PolarHBondContact NZ-OE1 2.81Å; K295-E404 IonicContact NZ-OE2 3.55Å; K295-E404 PolarHBondContact NZ-OE2 2.89Å
296S95.2Very high94.6Very high36 Ų3637.6 Ų37.625%0.25222%0.223SC..EExtended strand (participates in β ladder)trans-149.5136.8172.6-174.90000109.8I288I288-S296 WeakPolarHBondContact O-CA 3.37Å
297I96.9Very high93.7Very high26 Ų2642.2 Ų42.213%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-124.3129.2170.5-62.8164.5000107.4N287 I288 L393 S396 G397 A398 I401N287-I297 CarbonylContact C-O 3.57Å; N287-I297 WeakPolarHBondContact CA-O 3.27Å; I288-I297 PolarHBondContact N-O 3.49Å; I288-I297 PolarHBondContact O-N 2.85Å; I297-L393 HydrophobicContact CB-CD2 4.49Å; I297-L393 HydrophobicContact CG2-CD2 3.91Å; I297-S396 VanDerWaalsContact CD1-O 3.24Å; I297-S396 WeakPolarHBondContact CD1-O 3.34Å; I297-G397 WeakPolarHBondContact CD1-O 3.37Å; I297-A398 HydrophobicContact CD1-CB 4.23Å; I297-A398 VanDerWaalsContact CD1-N 3.3Å; I297-I401 HydrophobicContact CD1-CD1 3.83Å; I297-I401 HydrophobicContact CG1-CD1 4.08Å
298E97.3Very high92.9Very high95 Ų9548.6 Ų48.644%0.44428%0.275SS..EExtended strand (participates in β ladder)trans-122.5136.2-179.8-43.2-155.9151.200110.7F212 A286 N287F212-E298 WeakPolarHBondContact CE2-OE1 3.42Å; F212-E298 WeakPolarHBondContact CE2-OE2 3.2Å; A286-E298 WeakPolarHBondContact O-CA 3.37Å; N287-E298 HydrophobicContact CB-CB 4.16Å; N287-E298 HydrophobicContact CB-CG 3.62Å; N287-E298 PolarHBondContact ND2-OE1 2.73Å; N287-E298 VanDerWaalsContact ND2-OE1 3.1Å
299R98.2Very high92.1Very high77 Ų7749 Ų4929%0.29128%0.277SS..EExtended strand (participates in β ladder)trans-140.5159.9176.1-67.2-64.5177.1-108.77.4110.7H285 A286 V389 S392 L393 S396H285-R299 WeakPolarHBondContact CA-O 3.23Å; A286-R299 PolarHBondContact N-O 2.9Å; A286-R299 PolarHBondContact O-N 3.11Å; R299-V389 HydrophobicContact CB-CG1 4.34Å; R299-S392 WeakPolarHBondContact CD-OG 3.45Å; R299-S392 WeakPolarHBondContact CG-OG 3.37Å; R299-L393 HydrophobicContact CB-CD2 3.88Å; R299-L393 HydrophobicContact CB-CG 4Å; R299-L393 HydrophobicContact CG-CD2 3.78Å; R299-L393 HydrophobicContact CG-CG 4.08Å; R299-S396 PolarHBondContact NE-OG 2.81Å; R299-S396 PolarHBondContact NH2-OG 3.17Å
300S98Very high91Very high65 Ų6552.7 Ų52.746%0.45530%0.301SS..EExtended strand (participates in β ladder)trans-150.9153.6174.660.70000111.3L284 H285L284-S300 WeakPolarHBondContact O-CA 3.4Å; L284-S300 WeakPolarHBondContact O-CB 3.19Å; H285-S300 VanDerWaalsContact ND1-CB 3.27Å; H285-S300 WeakPolarHBondContact ND1-CB 3.47Å
301A98Very high89.5Confident27 Ų2759.1 Ų59.122%0.22333%0.334CS..EExtended strand (participates in β ladder)trans-144.9164.1169.200000109.4T283 L284 L385 T388 V389T283-A301 WeakPolarHBondContact CA-O 3.19Å; L284-A301 PolarHBondContact N-O 2.88Å; L284-A301 PolarHBondContact O-N 2.73Å; L284-A301 VanDerWaalsContact O-N 3.1Å; A301-L385 HydrophobicContact CB-CD1 3.7Å; A301-L385 WeakPolarHBondContact O-CD1 3.26Å; A301-T388 HydrophobicContact CB-CG2 4.37Å; A301-V389 HydrophobicContact CB-CG2 3.64Å
302S97Very high87.8Confident63 Ų6359.2 Ų59.244%0.44133%0.332SS..EExtended strand (participates in β ladder)trans-131148.5178.9-54.20000110.8L282 T283L282-S302 CarbonylContact O-C 3.51Å; L282-S302 WeakPolarHBondContact O-CA 3.34Å; T283-S302 WeakPolarHBondContact CB-OG 3.33Å; T283-S302 WeakPolarHBondContact CG2-OG 3.45Å; T283-S302 PolarHBondContact OG1-OG 2.63Å
303V95.5Very high85.3Confident25 Ų2561 Ų6115%0.15234%0.341CS..EExtended strand (participates in β ladder)trans-130.4152.2169.6-66.30000109.5Q281 L282 F305 I381 L385Q281-V303 CarbonylContact C-O 3.55Å; Q281-V303 WeakPolarHBondContact CA-O 3.49Å; Q281-V303 WeakPolarHBondContact CG-O 3.37Å; L282-V303 HydrophobicContact CB-CG2 4.17Å; L282-V303 PolarHBondContact N-O 3.03Å; L282-V303 PolarHBondContact O-N 2.79Å; V303-F305 HydrophobicContact CG2-CE1 4.1Å; V303-F305 HydrophobicContact CG2-CZ 4.28Å; V303-I381 HydrophobicContact CB-CG2 3.76Å; V303-I381 HydrophobicContact CG1-CG2 4.02Å; V303-I381 HydrophobicContact CG2-CG2 3.73Å; V303-L385 HydrophobicContact CG1-CB 4.05Å; V303-L385 HydrophobicContact CG1-CD1 4.1Å; V303-L385 HydrophobicContact CG2-CB 4.25Å; V303-L385 HydrophobicContact CG2-CD2 3.95Å
304V92.6Very high82.9Confident27 Ų2764.3 Ų64.316%0.16436%0.364CS..EExtended strand (participates in β ladder)trans-104.5127.9169.3172.60000107.5Y279 Q281 L345Y279-V304 HydrophobicContact CD2-CG1 3.4Å; Y279-V304 HydrophobicContact CD2-CG2 4.42Å; Y279-V304 HydrophobicContact CE2-CG1 3.97Å; Y279-V304 HydrophobicContact CE2-CG2 4.29Å; Y279-V304 HydrophobicContact CG-CG1 4.12Å; Q281-V304 HydrophobicContact CB-CG2 4.32Å; Q281-V304 HydrophobicContact CG-CG2 4.23Å; V304-L345 HydrophobicContact CB-CD2 4.37Å; V304-L345 HydrophobicContact CB-CG 4.32Å; V304-L345 HydrophobicContact CG1-CD2 3.77Å; V304-L345 HydrophobicContact CG1-CG 4.02Å
305F92.6Very high80.3Confident0 Ų063.3 Ų63.30%035%0.347CS..  trans-78.8140176.3-69.3-51.2000111L245 L271 Y280 L282 V303 R378 I381 A382L245-F305 HydrophobicContact CB-CE2 4.07Å; L245-F305 HydrophobicContact CB-CZ 3.9Å; L245-F305 HydrophobicContact CD1-CD1 4.4Å; L245-F305 HydrophobicContact CD1-CD2 3.74Å; L245-F305 HydrophobicContact CD1-CE1 4.16Å; L245-F305 HydrophobicContact CD1-CE2 3.44Å; L245-F305 VanDerWaalsContact CD1-CE2 3.44Å; L245-F305 HydrophobicContact CD1-CG 4.22Å; L245-F305 HydrophobicContact CD1-CZ 3.68Å; L245-F305 HydrophobicContact CD2-CE1 4.46Å; L245-F305 HydrophobicContact CD2-CZ 4.34Å; L245-F305 HydrophobicContact CG-CE2 4.3Å; L245-F305 HydrophobicContact CG-CZ 4.18Å; L271-F305 HydrophobicContact CD1-CD2 4.13Å; L271-F305 HydrophobicContact CD1-CE2 3.77Å; Y280-F305 PolarHBondContact O-N 2.84Å; L282-F305 HydrophobicContact CB-CE2 3.64Å; L282-F305 HydrophobicContact CB-CZ 3.86Å; L282-F305 HydrophobicContact CD2-CE2 4.15Å; L282-F305 HydrophobicContact CD2-CZ 3.76Å; L282-F305 HydrophobicContact CG-CZ 4.48Å; V303-F305 HydrophobicContact CG2-CE1 4.1Å; V303-F305 HydrophobicContact CG2-CZ 4.28Å; F305-R378 HydrophobicContact CB-CG 3.89Å; F305-R378 HydrophobicContact CD1-CB 3.93Å; F305-R378 HydrophobicContact CD1-CG 3.94Å; F305-R378 HydrophobicContact CE1-CB 4.36Å; F305-R378 WeakPolarHBondContact CE1-O 3.49Å; F305-R378 HydrophobicContact CG-CB 4.39Å; F305-R378 HydrophobicContact CG-CG 4.06Å; F305-I381 HydrophobicContact CD1-CB 4.28Å; F305-I381 HydrophobicContact CD1-CG2 4.01Å; F305-I381 HydrophobicContact CE1-CB 4.16Å; F305-I381 HydrophobicContact CE1-CG2 3.89Å; F305-A382 HydrophobicContact CE1-CB 4.13Å; F305-A382 HydrophobicContact CZ-CB 4.07Å
306P86.7Confident77.1Confident26 Ų2668 Ų6817%0.16937%0.371CS..SBendtrans-68.5140.3169.929.2-34.4000110.4M374 L377 R378 I381P306-M374 HydrophobicContact CB-CE 4.49Å; P306-M374 HydrophobicContact CB-SD 3.68Å; P306-M374 HydrophobicContact CG-SD 3.62Å; P306-L377 HydrophobicContact CB-CD2 4.47Å; P306-L377 HydrophobicContact CG-CD2 3.73Å; P306-L377 HydrophobicContact CG-CG 4Å; P306-R378 HydrophobicContact CG-CG 4.3Å; P306-R378 PolarHBondContact O-NH1 3.1Å; P306-R378 VanDerWaalsContact O-NH1 3.16Å; P306-I381 VanDerWaalsContact CD-CD1 3.45Å; P306-I381 HydrophobicContact CG-CD1 3.95Å
307D80.3Confident74.2Confident97 Ų9772.1 Ų72.152%0.51940%0.399SS..SBendtrans60.2169.8176.7-160.711.5000114.6M374D307-M374 HydrophobicContact CB-CE 4.17Å; D307-M374 HydrophobicContact CB-CG 3.9Å; D307-M374 HydrophobicContact CB-SD 3.99Å
308K80.3Confident71.2Confident138 Ų13875.6 Ų75.660%0.643%0.426SS*.PPolyproline II helixtrans-69.4148.3172.765.6-178.3179.5178.50110.8N278 R378N278-K308 HydrophobicContact CB-CB 4.5Å; K308-R378 PolarHBondContact O-NH1 2.89Å
309M79.4Confident67.9Low7 Ų774.9 Ų74.93%0.03443%0.43CS..PPolyproline II helixtrans-78.6148.2165.9-61.4-17971.500109E241 L245 L271 Y280E241-M309 VanDerWaalsContact C-CE 3.41Å; E241-M309 HydrophobicContact CB-CE 3.58Å; E241-M309 HydrophobicContact CG-CE 3.56Å; L245-M309 HydrophobicContact CD1-CE 3.33Å; L245-M309 HydrophobicContact CD1-SD 3.85Å; L245-M309 HydrophobicContact CG-CE 4.14Å; L271-M309 HydrophobicContact CD2-SD 4.27Å; Y280-M309 HydrophobicContact CD1-SD 4.27Å; Y280-M309 HydrophobicContact CD2-CB 4.1Å; Y280-M309 HydrophobicContact CD2-CG 3.66Å; Y280-M309 HydrophobicContact CD2-SD 3.83Å; Y280-M309 HydrophobicContact CE2-CB 3.85Å; Y280-M309 HydrophobicContact CE2-CG 3.95Å; Y280-M309 HydrophobicContact CE2-SD 4.25Å; Y280-M309 HydrophobicContact CG-CG 4.26Å; Y280-M309 HydrophobicContact CG-SD 3.83Å
310P72.4Confident64.5Low81 Ų8180.7 Ų80.753%0.52646%0.458SS..PPolyproline II helixtrans-62.4139.1171.128.4-28.6000109.1E241 N312E241-P310 WeakPolarHBondContact OE2-CD 3.44Å; P310-N312 PolarHBondContact O-N 2.89Å
311I62.2Low61.4Low144 Ų14483.9 Ų83.974%0.73847%0.469SS*.PPolyproline II helixtrans-79.2118.3170.5-59.8171.7000105.9D313I311-D313 PolarHBondContact O-N 2.89Å
312N54.5Low58.1Low56 Ų5687.9 Ų87.930%0.29949%0.49SS..  trans-78.9108.3169.9-84.3-15000109.1H239 D240 P310 C314 V315H239-N312 PolarHBondContact O-ND2 2.79Å; D240-N312 WeakPolarHBondContact CA-ND2 3.4Å; D240-N312 PolarHBondContact OD1-ND2 2.91Å; P310-N312 PolarHBondContact O-N 2.89Å; N312-C314 PolarHBondContact O-N 2.97Å; N312-V315 HydrophobicContact CB-CG2 3.93Å; N312-V315 PolarHBondContact O-N 3.2Å
313D37.2Very low54.6Low147 Ų14794.2 Ų94.279%0.78651%0.513SS*.G310 helixtrans-60.9-13.7176-68.2-23.1000113I311 V315I311-D313 PolarHBondContact O-N 2.89Å; D313-V315 PolarHBondContact O-N 3.16Å; D313-V315 VanDerWaalsContact O-N 3.15Å
314C40.6Very low51.3Low72 Ų72101.4 Ų101.449%0.48654%0.542SS..G310 helixtrans-68.5-6.7176.1-67.40000114.4Q34 N312Q34-C314 PolarHBondContact NE2-SG 3.06Å; Q34-C314 VanDerWaalsContact NE2-SG 3.42Å; N312-C314 PolarHBondContact O-N 2.97Å
315V36.3Very low48Very low31 Ų31106.2 Ų106.219%0.18858%0.577CS.*G310 helixtrans-115.222.7-166.8-150.40000114.5N312 D313 S317 C319N312-V315 HydrophobicContact CB-CG2 3.93Å; N312-V315 PolarHBondContact O-N 3.2Å; D313-V315 PolarHBondContact O-N 3.16Å; D313-V315 VanDerWaalsContact O-N 3.15Å; V315-S317 PolarHBondContact O-N 2.89Å; V315-C319 HydrophobicContact CG1-CB 3.67Å
316E28.2Very low44.9Very low189 Ų189108.4 Ų108.488%0.88360%0.6SS**THydrogen-bonded Turntrans-61.9-3.8170.2-81.1-161.7156.100114
317S33.3Very low41.9Very low121 Ų121112.5 Ų112.585%0.84663%0.629SS**THydrogen-bonded Turntrans-123.67.9-176.6-61.40000117.7V315V315-S317 PolarHBondContact O-N 2.89Å
318S33.8Very low39.5Very low100 Ų100115.6 Ų115.670%0.69964%0.635SS**THydrogen-bonded Turntrans-153.2-3.9177.539.60000119.3K320S318-K320 PolarHBondContact O-N 3.45Å
319C29Very low36.9Very low79 Ų79116.3 Ų116.353%0.53465%0.645SS.*  trans-102.275.8177.7-128.70000112.4V315V315-C319 HydrophobicContact CG1-CB 3.67Å
320K25.7Very low34.4Very low200 Ų200122.9 Ų122.987%0.8768%0.68SS**  trans-100.472.3148.2-71.7-172.9-178.7-1800107.1S318 V322S318-K320 PolarHBondContact O-N 3.45Å; K320-V322 PolarHBondContact O-N 2.85Å; K320-V322 VanDerWaalsContact O-N 3.12Å
321L33.8Very low32.3Very low131 Ų131125.5 Ų125.569%0.68669%0.694SS**  trans-58.8118.8160.6-80.2168.3000106.5Q323L321-Q323 PolarHBondContact O-N 3.1Å
322V28.4Very low30.4Very low111 Ų111123.5 Ų123.567%0.67369%0.693SS**  trans-58.1108.2-163.4173.70000110K320 K324K320-V322 PolarHBondContact O-N 2.85Å; K320-V322 VanDerWaalsContact O-N 3.12Å; V322-K324 HydrophobicContact CG1-CB 3.67Å; V322-K324 HydrophobicContact CG1-CD 4.11Å; V322-K324 HydrophobicContact CG1-CG 3.65Å; V322-K324 PolarHBondContact O-N 2.93Å
323Q24Very low29.2Very low197 Ų197125.8 Ų125.892%0.92171%0.709SS**  trans-64.982.8154.3-73.2-176.6-17.500107.9L321L321-Q323 PolarHBondContact O-N 3.1Å
324K25Very low28.6Very low175 Ų175126.7 Ų126.776%0.76171%0.714SS**  trans-134.3100158.3-75.4-171176.1-177.80108.1V322 G326V322-K324 HydrophobicContact CG1-CB 3.67Å; V322-K324 HydrophobicContact CG1-CD 4.11Å; V322-K324 HydrophobicContact CG1-CG 3.65Å; V322-K324 PolarHBondContact O-N 2.93Å; K324-G326 PolarHBondContact O-N 2.8Å
325S25.3Very low28Very low128 Ų128127.7 Ų127.790%0.89572%0.718SS**  trans-60.182.3153.651.50000108.5
326G25.8Very low27.4Very low47 Ų47131.7 Ų131.749%0.48575%0.745SS.*  trans-79.2112.8162.800000107.9K324 Y328K324-G326 PolarHBondContact O-N 2.8Å; G326-Y328 WeakPolarHBondContact O-CD2 3.24Å; G326-Y328 PolarHBondContact O-N 3.31Å
327S23.5Very low27.3Very low111 Ų111128.2 Ų128.278%0.77673%0.731SS**  trans-61.9111.2162.149.90000107.7
328Y31.3Very low26.9Very low163 Ų163129.6 Ų129.664%0.63973%0.727SS**  trans-90.8115.2172.7-80.4-87.9000108.2G326G326-Y328 WeakPolarHBondContact O-CD2 3.24Å; G326-Y328 PolarHBondContact O-N 3.31Å
329D25.1Very low26.5Very low152 Ų152132.8 Ų132.881%0.81373%0.729SS**  trans-75.1134.4168.9-71-37.4000109.9V331D329-V331 PolarHBondContact O-N 3.05Å
330D26.1Very low26.5Very low146 Ų146136.2 Ų136.278%0.78174%0.741SS**  trans-55.1118.4-175.4-84.9-45.1000112.3
331V28.3Very low26.5Very low135 Ų135136.7 Ų136.782%0.81874%0.744SS**  trans-87.9111154.6178.60000106.8D329 T333D329-V331 PolarHBondContact O-N 3.05Å; V331-T333 PolarHBondContact O-N 2.99Å; V331-T333 VanDerWaalsContact O-N 3.11Å
332S23.4Very low26.4Very low102 Ų102133.6 Ų133.671%0.71374%0.743SS**  trans-53.1110.1-175.764.10000113
333T28.1Very low26.8Very low104 Ų104134.3 Ų134.364%0.63875%0.748SS**  trans-121.9115.6145.152.20000107V331 T335V331-T333 PolarHBondContact O-N 2.99Å; V331-T333 VanDerWaalsContact O-N 3.11Å; T333-T335 VanDerWaalsContact C-N 3.34Å; T333-T335 PolarHBondContact O-N 2.99Å
334N25.2Very low27.6Very low167 Ų167129.3 Ų129.389%0.89374%0.735SS**  trans-58.289.3-178.8-79.7-24.7000111.4
335T28Very low28.9Very low92 Ų92126.4 Ų126.456%0.56473%0.727SS**SBendtrans-152.7128.9156.2-38.80000108.2T333 I337T333-T335 VanDerWaalsContact C-N 3.34Å; T333-T335 PolarHBondContact O-N 2.99Å; T335-I337 PolarHBondContact O-N 2.91Å
336P24.2Very low30.8Very low116 Ų116125.8 Ų125.875%0.75372%0.718SS**  trans-62121.9-175.1-17.929.3000111I338P336-I338 PolarHBondContact O-N 2.91Å
337I26.9Very low33.5Very low116 Ų116128.7 Ų128.760%0.59573%0.731SS**  trans-63.4106163.6-57.3173.2000106.1T335 K339T335-I337 PolarHBondContact O-N 2.91Å; I337-K339 HydrophobicContact CB-CG 4.49Å; I337-K339 HydrophobicContact CG2-CG 3.69Å; I337-K339 PolarHBondContact O-N 3.32Å
338I24.5Very low36.7Very low149 Ų149125.5 Ų125.576%0.76471%0.707SS**  trans-67.485.3162.3-57.8176.8000106P336 N340P336-I338 PolarHBondContact O-N 2.91Å; I338-N340 VanDerWaalsContact C-N 3.3Å; I338-N340 PolarHBondContact O-N 2.98Å
339K25Very low39.7Very low168 Ų168121 Ų12173%0.7370%0.697SS**  trans-67.396.9162.2-71-176.5179.81740105.2I337 K341I337-K339 HydrophobicContact CB-CG 4.49Å; I337-K339 HydrophobicContact CG2-CG 3.69Å; I337-K339 PolarHBondContact O-N 3.32Å; K339-K341 VanDerWaalsContact C-N 3.26Å; K339-K341 PolarHBondContact O-N 2.7Å
340N28.3Very low43.1Very low150 Ų150122.7 Ų122.780%0.80270%0.697SS**  trans-58.599.1165.6-101.3-10.1000107.4I338 G342I338-N340 VanDerWaalsContact C-N 3.3Å; I338-N340 PolarHBondContact O-N 2.98Å; N340-G342 PolarHBondContact O-N 2.82Å
341K26.3Very low46.4Very low210 Ų210121.9 Ų121.991%0.91369%0.693SS**  trans-64.8113.2167.1-79.3-179.2173.5179.40106.7K339K339-K341 VanDerWaalsContact C-N 3.26Å; K339-K341 PolarHBondContact O-N 2.7Å
342G30.9Very low49.7Very low66 Ų66116.2 Ų116.268%0.6866%0.658SS**  trans12986.9170.600000113N340 S344N340-G342 PolarHBondContact O-N 2.82Å; G342-S344 PolarHBondContact O-N 2.81Å
343T37.9Very low53.2Low126 Ų126114.8 Ų114.877%0.77364%0.642SS**  trans-68.276.1157.645.20000108.7
344S41.4Very low56.5Low92 Ų92117.2 Ų117.264%0.64364%0.643SS**  trans-84.4130.3157.9-171.70000106.2G342 T346G342-S344 PolarHBondContact O-N 2.81Å; S344-T346 PolarHBondContact O-N 3.32Å
345L51.5Low59.9Low114 Ų114110.3 Ų110.360%0.59761%0.61SS**  trans-55.599161.5-86.2115.1000105.8V304 S347V304-L345 HydrophobicContact CB-CD2 4.37Å; V304-L345 HydrophobicContact CB-CG 4.32Å; V304-L345 HydrophobicContact CG1-CD2 3.77Å; V304-L345 HydrophobicContact CG1-CG 4.02Å; L345-S347 PolarHBondContact O-N 2.66Å
346T65.5Low63.2Low116 Ų116106 Ų10671%0.71258%0.583SS**PPolyproline II helixtrans-66.7119.8172.841.20000105.7S344S344-T346 PolarHBondContact O-N 3.32Å
347S82.8Confident66.6Low107 Ų107106 Ų10675%0.74858%0.576SS**PPolyproline II helixtrans-53.2139.1175.1-57.10000109L345 T349L345-S347 PolarHBondContact O-N 2.66Å; S347-T349 PolarHBondContact O-N 3.28Å
348P90.8Very high70Confident44 Ų44103.7 Ų103.729%0.28657%0.565SS.*PPolyproline II helixtrans-53.7141.8178.6-25.333000111.8E352 L353 L377 I381P348-E352 WeakPolarHBondContact CA-OE2 3.47Å; P348-E352 HydrophobicContact CB-CB 4.38Å; P348-L353 HydrophobicContact CB-CD2 3.96Å; P348-L353 HydrophobicContact CB-CG 3.98Å; P348-L353 HydrophobicContact CG-CD2 4.39Å; P348-L377 HydrophobicContact CB-CD1 3.9Å; P348-L377 HydrophobicContact CG-CD1 4.18Å; P348-L377 HydrophobicContact CG-CD2 4.17Å; P348-I381 HydrophobicContact CG-CD1 4.35Å
349T94Very high73.3Confident70 Ų7099.4 Ų99.443%0.42955%0.552SS.*PPolyproline II helixtrans-66.716017665.10000110.8S347 D351 E352 L353S347-T349 PolarHBondContact O-N 3.28Å; T349-D351 PolarHBondContact O-N 2.93Å; T349-E352 PolarHBondContact N-OE2 3.39Å; T349-E352 PolarHBondContact O-N 2.92Å; T349-E352 WeakPolarHBondContact OG1-CB 3.42Å; T349-E352 WeakPolarHBondContact OG1-CG 3.34Å; T349-E352 PolarHBondContact OG1-N 3.46Å; T349-E352 PolarHBondContact OG1-OE2 3.4Å; T349-L353 WeakPolarHBondContact O-CG 3.44Å; T349-L353 PolarHBondContact O-N 3.02Å
350K95.2Very high76.6Confident186 Ų18696.2 Ų96.281%0.80955%0.546SS*.Hα-helixtrans-58.1-36.2176.6-68.5-176178.8-179.70112.4K354K350-K354 WeakPolarHBondContact O-CB 3.38Å; K350-K354 PolarHBondContact O-N 3.27Å
351D96.2Very high79.9Confident129 Ų12990 Ų9069%0.6951%0.514SS*.Hα-helixtrans-71.4-38179.7-66.8-27000111.8T349 K354 A355T349-D351 PolarHBondContact O-N 2.93Å; D351-K354 PolarHBondContact O-N 3.48Å; D351-A355 WeakPolarHBondContact O-CB 3.33Å; D351-A355 PolarHBondContact O-N 2.68Å
352E97.3Very high83.2Confident17 Ų1783.4 Ų83.48%0.07949%0.489CS..Hα-helixtrans-65-44.1174.3-73160.616500111.9P348 T349 K354 A355 A356 L377 A380 I381 S384P348-E352 WeakPolarHBondContact CA-OE2 3.47Å; P348-E352 HydrophobicContact CB-CB 4.38Å; T349-E352 PolarHBondContact N-OE2 3.39Å; T349-E352 PolarHBondContact O-N 2.92Å; T349-E352 WeakPolarHBondContact OG1-CB 3.42Å; T349-E352 WeakPolarHBondContact OG1-CG 3.34Å; T349-E352 PolarHBondContact OG1-N 3.46Å; T349-E352 PolarHBondContact OG1-OE2 3.4Å; E352-K354 VanDerWaalsContact C-N 3.34Å; E352-A355 PolarHBondContact O-N 2.91Å; E352-A356 WeakPolarHBondContact O-CB 3.48Å; E352-A356 PolarHBondContact O-N 3.49Å; E352-L377 HydrophobicContact CB-CD1 4.12Å; E352-A380 HydrophobicContact CB-CB 3.97Å; E352-A380 HydrophobicContact CG-CB 3.93Å; E352-I381 HydrophobicContact CG-CG1 4.38Å; E352-S384 WeakPolarHBondContact OE1-CB 3.47Å; E352-S384 PolarHBondContact OE1-OG 3.02Å
353L96.8Very high86.4Confident72 Ų7280.6 Ų80.638%0.37746%0.458SS..Hα-helixtrans-63-41.5175.4-68.1170.8000111.6P348 T349 A356 L357 L377P348-L353 HydrophobicContact CB-CD2 3.96Å; P348-L353 HydrophobicContact CB-CG 3.98Å; P348-L353 HydrophobicContact CG-CD2 4.39Å; T349-L353 WeakPolarHBondContact O-CG 3.44Å; T349-L353 PolarHBondContact O-N 3.02Å; L353-A356 WeakPolarHBondContact O-CB 3.41Å; L353-A356 PolarHBondContact O-N 2.95Å; L353-L357 WeakPolarHBondContact O-CG 3.48Å; L353-L357 PolarHBondContact O-N 3.06Å; L353-L377 HydrophobicContact CD2-CD1 4.13Å; L353-L377 HydrophobicContact CD2-CD2 4.42Å
354K97.5Very high89.2Confident155 Ų15575 Ų7567%0.67442%0.423SS*.Hα-helixtrans-61.7-45.3176.4-176.4-177.2175.9-174.10111.6K350 D351 E352 A356 L357 D358K350-K354 WeakPolarHBondContact O-CB 3.38Å; K350-K354 PolarHBondContact O-N 3.27Å; D351-K354 PolarHBondContact O-N 3.48Å; E352-K354 VanDerWaalsContact C-N 3.34Å; K354-A356 VanDerWaalsContact C-N 3.31Å; K354-A356 PolarHBondContact O-N 3.15Å; K354-L357 PolarHBondContact O-N 3.48Å; K354-D358 PolarHBondContact O-N 2.88Å
355A96.8Very high91.9Very high22 Ų2271 Ų7118%0.18240%0.396CS..Hα-helixtrans-66.5-32.817700000112.3D351 E352 S361 F363 A380D351-A355 WeakPolarHBondContact O-CB 3.33Å; D351-A355 PolarHBondContact O-N 2.68Å; E352-A355 PolarHBondContact O-N 2.91Å; A355-S361 VanDerWaalsContact O-CB 3.29Å; A355-S361 WeakPolarHBondContact O-CB 3.27Å; A355-S361 PolarHBondContact O-OG 2.9Å; A355-F363 HydrophobicContact CB-CE1 3.91Å; A355-F363 HydrophobicContact CB-CZ 4Å; A355-A380 HydrophobicContact CB-CB 4.29Å
356A96.3Very high94.1Very high0 Ų065.6 Ų65.60%037%0.368CS..Hα-helixtrans-65.9-41.3175.100000112.7E352 L353 K354 D358 E373 R376 L377E352-A356 WeakPolarHBondContact O-CB 3.48Å; E352-A356 PolarHBondContact O-N 3.49Å; L353-A356 WeakPolarHBondContact O-CB 3.41Å; L353-A356 PolarHBondContact O-N 2.95Å; K354-A356 VanDerWaalsContact C-N 3.31Å; K354-A356 PolarHBondContact O-N 3.15Å; A356-D358 VanDerWaalsContact C-N 3.3Å; A356-D358 PolarHBondContact O-N 3Å; A356-E373 HydrophobicContact CB-CG 4.06Å; A356-R376 PolarHBondContact O-NE 2.96Å; A356-R376 PolarHBondContact O-NH2 3.41Å; A356-R376 VanDerWaalsContact O-NH2 3.09Å; A356-L377 HydrophobicContact CB-CB 3.67Å; A356-L377 HydrophobicContact CB-CD1 4Å; A356-L377 HydrophobicContact CB-CG 4.39Å
357L96.9Very high95.6Very high117 Ų11760.5 Ų60.561%0.61334%0.336SS*.Hα-helixtrans-69.8-27179.5-71.3168.3000113L353 K354 A359 E373L353-L357 WeakPolarHBondContact O-CG 3.48Å; L353-L357 PolarHBondContact O-N 3.06Å; K354-L357 PolarHBondContact O-N 3.48Å; L357-A359 PolarHBondContact O-N 3.12Å; L357-E373 WeakPolarHBondContact CD2-OE1 2.83Å
358D97Very high96.2Very high67 Ų6755.8 Ų55.836%0.35830%0.303SS..  trans-84.3106.4177.2173.520.4000111.5K354 A356 T360 S361 R376K354-D358 PolarHBondContact O-N 2.88Å; A356-D358 VanDerWaalsContact C-N 3.3Å; A356-D358 PolarHBondContact O-N 3Å; D358-T360 PolarHBondContact O-N 3.48Å; D358-T360 VanDerWaalsContact O-N 3.08Å; D358-T360 WeakPolarHBondContact OD1-CA 3.33Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.46Å; D358-T360 PolarHBondContact OD1-OG1 3.1Å; D358-T360 PolarHBondContact OD2-OG1 2.82Å; D358-S361 WeakPolarHBondContact CB-OG 3.34Å; D358-S361 WeakPolarHBondContact O-CB 3.32Å; D358-S361 PolarHBondContact O-N 2.97Å; D358-S361 VanDerWaalsContact O-N 3.08Å; D358-S361 PolarHBondContact OD2-OG 3.29Å; D358-R376 WeakPolarHBondContact O-CD 3.37Å
359A94.3Very high96.3Very high59 Ų5956.1 Ų56.149%0.48830%0.304SS..THydrogen-bonded Turntrans-62.6-13.4177.600000114.1L357L357-A359 PolarHBondContact O-N 3.12Å
360T94.9Very high96.2Very high101 Ų10156.9 Ų56.962%0.6231%0.31SS*.THydrogen-bonded Turntrans-96.90.8177.872.50000113.5D358 I362D358-T360 PolarHBondContact O-N 3.48Å; D358-T360 VanDerWaalsContact O-N 3.08Å; D358-T360 WeakPolarHBondContact OD1-CA 3.33Å; D358-T360 WeakPolarHBondContact OD1-CB 3.47Å; D358-T360 PolarHBondContact OD1-N 3.46Å; D358-T360 PolarHBondContact OD1-OG1 3.1Å; D358-T360 PolarHBondContact OD2-OG1 2.82Å; T360-I362 PolarHBondContact O-N 3.46Å
361S97Very high96.1Very high19 Ų1949.7 Ų49.713%0.13328%0.283CS..  trans-63.5132.3-179.9-82.30000112.5A355 D358A355-S361 VanDerWaalsContact O-CB 3.29Å; A355-S361 WeakPolarHBondContact O-CB 3.27Å; A355-S361 PolarHBondContact O-OG 2.9Å; D358-S361 WeakPolarHBondContact CB-OG 3.34Å; D358-S361 WeakPolarHBondContact O-CB 3.32Å; D358-S361 PolarHBondContact O-N 2.97Å; D358-S361 VanDerWaalsContact O-N 3.08Å; D358-S361 PolarHBondContact OD2-OG 3.29Å
362I97Very high96Very high72 Ų7246.6 Ų46.637%0.36927%0.272SS..  trans-113.8125.5-179.2-60.2166.7000109V98 L226 T360 G365 I367V98-I362 HydrophobicContact CG1-CD1 3.73Å; V98-I362 HydrophobicContact CG1-CG1 4.37Å; L226-I362 HydrophobicContact CD1-CD1 4.41Å; L226-I362 HydrophobicContact CD2-CD1 4.41Å; T360-I362 PolarHBondContact O-N 3.46Å; I362-G365 VanDerWaalsContact CG2-C 3.43Å; I362-I367 HydrophobicContact CG1-CB 4.07Å; I362-I367 HydrophobicContact CG1-CD1 4.2Å; I362-I367 HydrophobicContact CG1-CG2 4.07Å
363F97.8Very high95.9Very high7 Ų750.4 Ų50.43%0.03129%0.29CS..BIsolated β-bridgetrans-109.2105.2-176.8-56.5-80.9000110.5I248 A355 G365 V366 R376 M379 A380 Q383I248-F363 HydrophobicContact CD1-CB 3.99Å; I248-F363 HydrophobicContact CG1-CB 4.43Å; I248-F363 HydrophobicContact CG2-CB 4.22Å; A355-F363 HydrophobicContact CB-CE1 3.91Å; A355-F363 HydrophobicContact CB-CZ 4Å; F363-G365 PolarHBondContact O-N 2.87Å; F363-G365 VanDerWaalsContact O-N 3.15Å; F363-V366 PolarHBondContact N-O 2.67Å; F363-V366 VanDerWaalsContact O-CB 3.31Å; F363-V366 WeakPolarHBondContact O-CB 3.29Å; F363-V366 PolarHBondContact O-N 3.04Å; F363-R376 HydrophobicContact CE2-CB 4.01Å; F363-R376 HydrophobicContact CE2-CG 4.18Å; F363-R376 HydrophobicContact CZ-CB 4.21Å; F363-R376 WeakPolarHBondContact CZ-O 3.31Å; F363-M379 HydrophobicContact CB-CB 4.03Å; F363-M379 HydrophobicContact CD1-CB 4.08Å; F363-M379 HydrophobicContact CD2-CB 3.46Å; F363-M379 VanDerWaalsContact CD2-CB 3.46Å; F363-M379 HydrophobicContact CD2-CG 4.25Å; F363-M379 HydrophobicContact CD2-SD 3.81Å; F363-M379 HydrophobicContact CE1-CB 4.45Å; F363-M379 HydrophobicContact CE2-CB 3.87Å; F363-M379 HydrophobicContact CE2-SD 4.42Å; F363-M379 HydrophobicContact CG-CB 3.57Å; F363-M379 HydrophobicContact CZ-CB 4.34Å; F363-A380 HydrophobicContact CD1-CB 4.33Å; F363-A380 VanDerWaalsContact CE1-CA 3.45Å; F363-A380 HydrophobicContact CE1-CB 3.52Å; F363-A380 HydrophobicContact CZ-CB 4.1Å; F363-Q383 VanDerWaalsContact CA-OE1 3.28Å
364M96.8Very high95.8Very high10 Ų1049.9 Ų49.95%0.04929%0.286CS..THydrogen-bonded Turntrans53.234.7-177.8-58.9-53.2-52.900114.7I248 R251 S252 R255 Q383I248-M364 HydrophobicContact CG2-CG 4.09Å; R251-M364 VanDerWaalsContact C-CE 3.44Å; R251-M364 HydrophobicContact CB-CB 4.06Å; R251-M364 HydrophobicContact CB-CE 3.92Å; R251-M364 HydrophobicContact CB-CG 4.24Å; R251-M364 PolarHBondContact NE-O 3.46Å; R251-M364 PolarHBondContact NH2-O 2.46Å; R251-M364 VanDerWaalsContact NH2-O 3.16Å; R251-M364 VanDerWaalsContact O-CE 3.27Å; R251-M364 WeakPolarHBondContact O-CE 3.19Å; S252-M364 VanDerWaalsContact CA-SD 3.54Å; R255-M364 HydrophobicContact CB-CE 3.7Å; R255-M364 HydrophobicContact CG-CE 4.29Å; M364-Q383 HydrophobicContact CG-CG 4.26Å; M364-Q383 HydrophobicContact SD-CG 4.28Å
365G96.7Very high95.7Very high8 Ų843.1 Ų43.18%0.08226%0.259CS..THydrogen-bonded Turntrans92.4-14.5-175.600000114.3L99 I362 F363L99-G365 WeakPolarHBondContact CB-O 3.37Å; L99-G365 PolarHBondContact N-O 2.97Å; I362-G365 VanDerWaalsContact CG2-C 3.43Å; F363-G365 PolarHBondContact O-N 2.87Å; F363-G365 VanDerWaalsContact O-N 3.15Å
366V98Very high95.7Very high0 Ų043.3 Ų43.30%025%0.254CS..BIsolated β-bridgetrans-86.1129.5-177-175.10000110.9L99 V102 I248 F363 V368L99-V366 HydrophobicContact CB-CG2 4.13Å; L99-V366 HydrophobicContact CD1-CG2 4.07Å; L99-V366 WeakPolarHBondContact O-CA 3.41Å; V102-V366 HydrophobicContact CG2-CG1 4.46Å; V102-V366 HydrophobicContact CG2-CG2 3.94Å; I248-V366 HydrophobicContact CD1-CB 4.21Å; I248-V366 HydrophobicContact CD1-CG1 4.47Å; I248-V366 HydrophobicContact CD1-CG2 4.43Å; I248-V366 HydrophobicContact CG1-CB 4.43Å; I248-V366 HydrophobicContact CG1-CG2 4.18Å; F363-V366 PolarHBondContact N-O 2.67Å; F363-V366 VanDerWaalsContact O-CB 3.31Å; F363-V366 WeakPolarHBondContact O-CB 3.29Å; F363-V366 PolarHBondContact O-N 3.04Å; V366-V368 HydrophobicContact CG1-CG2 4.31Å
367I97.4Very high95.7Very high9 Ų943.9 Ų43.95%0.04626%0.258CS..  trans-142.8137167.3173.6165.7000107.3V98 L99 G100 L226 M232 I362V98-I367 HydrophobicContact CB-CG2 3.58Å; V98-I367 HydrophobicContact CG1-CG2 3.75Å; V98-I367 HydrophobicContact CG2-CG2 3.67Å; L99-I367 PolarHBondContact O-N 3.09Å; L99-I367 VanDerWaalsContact O-N 3.07Å; G100-I367 CarbonylContact C-O 3.3Å; G100-I367 WeakPolarHBondContact CA-O 3.38Å; L226-I367 HydrophobicContact CD1-CD1 4.17Å; L226-I367 HydrophobicContact CD1-CG2 4.26Å; M232-I367 HydrophobicContact CE-CB 4.45Å; M232-I367 HydrophobicContact CE-CG1 4.18Å; M232-I367 HydrophobicContact CE-CG2 3.89Å; M232-I367 WeakPolarHBondContact CE-O 3.43Å; I362-I367 HydrophobicContact CG1-CB 4.07Å; I362-I367 HydrophobicContact CG1-CD1 4.2Å; I362-I367 HydrophobicContact CG1-CG2 4.07Å
368V95.5Very high95.7Very high8 Ų838.7 Ų38.75%0.04823%0.23CC..  trans-122.5131.1179.7-175.10000107.6H239 V366 S371 M379H239-V368 HydrophobicContact CB-CG1 4.3Å; H239-V368 WeakPolarHBondContact CE1-CG2 3.29Å; H239-V368 WeakPolarHBondContact ND1-CG2 3.5Å; V366-V368 HydrophobicContact CG1-CG2 4.31Å; V368-S371 WeakPolarHBondContact O-CB 3.16Å; V368-S371 PolarHBondContact O-OG 3.28Å; V368-M379 HydrophobicContact CG2-CE 4Å
369T93.3Very high95.7Very high50 Ų5035.7 Ų35.731%0.30721%0.214SC..SBendtrans-139.1123.8-178.6-53.20000108.8M232 D233M232-T369 CarbonylContact C-O 3.53Å; M232-T369 VanDerWaalsContact C-O 3.3Å; M232-T369 VanDerWaalsContact O-O 3.11Å; D233-T369 WeakPolarHBondContact CA-O 3.36Å; D233-T369 PolarHBondContact N-O 2.94Å
370P92.3Very high95.9Very high86 Ų8633.1 Ų33.156%0.55819%0.192SC*.SBendcis-67.7151-3.629.7-35.2000112.9D233D233-P370 WeakPolarHBondContact OD1-CD 3.41Å
371S92.6Very high96Very high35 Ų3528.9 Ų28.925%0.24517%0.166CC..  trans-141.8149.716956.40000110.8V368 R376V368-S371 WeakPolarHBondContact O-CB 3.16Å; V368-S371 PolarHBondContact O-OG 3.28Å; S371-R376 PolarHBondContact O-NH1 3.01Å; S371-R376 PolarHBondContact OG-NH1 3.11Å
372S94.2Very high96Very high65 Ų6528 Ų2846%0.45516%0.159SC..  trans-77.8155.6173.568.60000111.2M374 S375 R376S372-M374 PolarHBondContact O-N 2.75Å; S372-S375 PolarHBondContact O-N 2.91Å; S372-S375 VanDerWaalsContact O-N 3.15Å; S372-S375 WeakPolarHBondContact OG-CB 3.15Å; S372-S375 PolarHBondContact OG-N 3.14Å; S372-S375 VanDerWaalsContact OG-N 3.07Å; S372-R376 PolarHBondContact O-N 2.68Å; S372-R376 VanDerWaalsContact O-N 3.16Å; S372-R376 PolarHBondContact O-NH1 3.4Å
373E95.1Very high96.1Very high96 Ų9627.4 Ų27.445%0.44916%0.155SC..Hα-helixtrans-54-40.9169.9-177.9-177.1153.400111.4A356 L357 S375 R376 L377A356-E373 HydrophobicContact CB-CG 4.06Å; L357-E373 WeakPolarHBondContact CD2-OE1 2.83Å; E373-S375 PolarHBondContact O-N 3.34Å; E373-R376 VanDerWaalsContact CA-NH2 3.34Å; E373-R376 PolarHBondContact O-N 2.83Å; E373-L377 WeakPolarHBondContact O-CB 3.16Å; E373-L377 PolarHBondContact O-N 2.85Å
374M94.4Very high96.1Very high62 Ų6229 Ų2931%0.30517%0.167SC..Hα-helixtrans-63.1-39178.4-17059.16800112.7P306 D307 S372 L377 R378P306-M374 HydrophobicContact CB-CE 4.49Å; P306-M374 HydrophobicContact CB-SD 3.68Å; P306-M374 HydrophobicContact CG-SD 3.62Å; D307-M374 HydrophobicContact CB-CE 4.17Å; D307-M374 HydrophobicContact CB-CG 3.9Å; D307-M374 HydrophobicContact CB-SD 3.99Å; S372-M374 PolarHBondContact O-N 2.75Å; M374-L377 WeakPolarHBondContact O-CB 3.44Å; M374-L377 PolarHBondContact O-N 3.49Å; M374-L377 HydrophobicContact SD-CD2 4.13Å; M374-R378 VanDerWaalsContact CG-NH1 3.31Å; M374-R378 PolarHBondContact O-N 3.18Å
375S94.9Very high96.2Very high13 Ų1328.7 Ų28.79%0.09117%0.166CC..Hα-helixtrans-64.7-44.3175.8-174.30000111.5E241 S372 E373 L377 R378 M379E241-S375 VanDerWaalsContact OE1-CA 3.27Å; E241-S375 WeakPolarHBondContact OE1-CA 3.45Å; E241-S375 VanDerWaalsContact OE1-CB 3.3Å; E241-S375 WeakPolarHBondContact OE1-CB 3.35Å; E241-S375 PolarHBondContact OE1-OG 3.34Å; S372-S375 PolarHBondContact O-N 2.91Å; S372-S375 VanDerWaalsContact O-N 3.15Å; S372-S375 WeakPolarHBondContact OG-CB 3.15Å; S372-S375 PolarHBondContact OG-N 3.14Å; S372-S375 VanDerWaalsContact OG-N 3.07Å; E373-S375 PolarHBondContact O-N 3.34Å; S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 2.87Å; S375-R378 PolarHBondContact O-N 2.99Å; S375-M379 WeakPolarHBondContact O-CG 3.39Å; S375-M379 PolarHBondContact O-N 3.39Å
376R97Very high96.3Very high25 Ų2528.3 Ų28.39%0.09416%0.162CC..Hα-helixtrans-62.7-37.6174.4-68-171.5-64.3-81.30.8112.2A356 D358 F363 S371 S372 E373 R378 M379 A380A356-R376 PolarHBondContact O-NE 2.96Å; A356-R376 PolarHBondContact O-NH2 3.41Å; A356-R376 VanDerWaalsContact O-NH2 3.09Å; D358-R376 WeakPolarHBondContact O-CD 3.37Å; F363-R376 HydrophobicContact CE2-CB 4.01Å; F363-R376 HydrophobicContact CE2-CG 4.18Å; F363-R376 HydrophobicContact CZ-CB 4.21Å; F363-R376 WeakPolarHBondContact CZ-O 3.31Å; S371-R376 PolarHBondContact O-NH1 3.01Å; S371-R376 PolarHBondContact OG-NH1 3.11Å; S372-R376 PolarHBondContact O-N 2.68Å; S372-R376 VanDerWaalsContact O-N 3.16Å; S372-R376 PolarHBondContact O-NH1 3.4Å; E373-R376 VanDerWaalsContact CA-NH2 3.34Å; E373-R376 PolarHBondContact O-N 2.83Å; R376-R378 PolarHBondContact O-N 3.42Å; R376-M379 PolarHBondContact O-N 3.48Å; R376-A380 WeakPolarHBondContact O-CB 3.27Å; R376-A380 PolarHBondContact O-N 3.4Å
377L96.5Very high96.3Very high13 Ų1329.5 Ų29.57%0.06817%0.17CC..Hα-helixtrans-61.1-44174.6-175.857.3000111.8P306 P348 E352 L353 A356 E373 M374 S375 A380 I381P306-L377 HydrophobicContact CB-CD2 4.47Å; P306-L377 HydrophobicContact CG-CD2 3.73Å; P306-L377 HydrophobicContact CG-CG 4Å; P348-L377 HydrophobicContact CB-CD1 3.9Å; P348-L377 HydrophobicContact CG-CD1 4.18Å; P348-L377 HydrophobicContact CG-CD2 4.17Å; E352-L377 HydrophobicContact CB-CD1 4.12Å; L353-L377 HydrophobicContact CD2-CD1 4.13Å; L353-L377 HydrophobicContact CD2-CD2 4.42Å; A356-L377 HydrophobicContact CB-CB 3.67Å; A356-L377 HydrophobicContact CB-CD1 4Å; A356-L377 HydrophobicContact CB-CG 4.39Å; E373-L377 WeakPolarHBondContact O-CB 3.16Å; E373-L377 PolarHBondContact O-N 2.85Å; M374-L377 WeakPolarHBondContact O-CB 3.44Å; M374-L377 PolarHBondContact O-N 3.49Å; M374-L377 HydrophobicContact SD-CD2 4.13Å; S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 2.87Å; L377-A380 WeakPolarHBondContact O-CB 3.3Å; L377-A380 PolarHBondContact O-N 3.09Å; L377-I381 HydrophobicContact CD1-CD1 4.29Å; L377-I381 HydrophobicContact CG-CD1 4.08Å; L377-I381 VanDerWaalsContact O-CG1 3.31Å; L377-I381 WeakPolarHBondContact O-CG1 3.12Å; L377-I381 PolarHBondContact O-N 3.02Å
378R96.2Very high96.3Very high7 Ų732.7 Ų32.73%0.02619%0.19CC..Hα-helixtrans-62.3-42.3174.7-71.1-172-74-105.77.6112.1E241 L245 F305 P306 K308 M374 S375 R376 A380 I381 A382E241-R378 IonicContact OE1-CZ 2.85Å; E241-R378 IonicContact OE1-NE 2.75Å; E241-R378 PolarHBondContact OE1-NE 3.01Å; E241-R378 IonicContact OE1-NH2 3.28Å; E241-R378 PolarHBondContact OE1-NH2 2.92Å; E241-R378 IonicContact OE2-CZ 3.67Å; E241-R378 IonicContact OE2-NE 3.14Å; E241-R378 PolarHBondContact OE2-NE 3.43Å; E241-R378 IonicContact OE2-NH2 3.11Å; E241-R378 PolarHBondContact OE2-NH2 3.31Å; L245-R378 HydrophobicContact CD1-CB 3.94Å; L245-R378 VanDerWaalsContact CD2-C 3.4Å; L245-R378 HydrophobicContact CD2-CB 3.74Å; L245-R378 WeakPolarHBondContact CD2-O 3.4Å; F305-R378 HydrophobicContact CB-CG 3.89Å; F305-R378 HydrophobicContact CD1-CB 3.93Å; F305-R378 HydrophobicContact CD1-CG 3.94Å; F305-R378 HydrophobicContact CE1-CB 4.36Å; F305-R378 WeakPolarHBondContact CE1-O 3.49Å; F305-R378 HydrophobicContact CG-CB 4.39Å; F305-R378 HydrophobicContact CG-CG 4.06Å; P306-R378 HydrophobicContact CG-CG 4.3Å; P306-R378 PolarHBondContact O-NH1 3.1Å; P306-R378 VanDerWaalsContact O-NH1 3.16Å; K308-R378 PolarHBondContact O-NH1 2.89Å; M374-R378 VanDerWaalsContact CG-NH1 3.31Å; M374-R378 PolarHBondContact O-N 3.18Å; S375-R378 PolarHBondContact O-N 2.99Å; R376-R378 PolarHBondContact O-N 3.42Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-A380 PolarHBondContact O-N 3.44Å; R378-I381 PolarHBondContact O-N 2.54Å; R378-A382 WeakPolarHBondContact O-CB 3.33Å; R378-A382 PolarHBondContact O-N 3.43Å
379M97.3Very high96.4Very high4 Ų432.3 Ų32.32%0.0219%0.188CC..Hα-helixtrans-62.6-40.1175.6-67.1-174.9-171.400112.1L245 I248 F363 V368 S375 R376 A382 Q383L245-M379 HydrophobicContact CD2-CB 4.37Å; L245-M379 HydrophobicContact CD2-CG 3.88Å; I248-M379 HydrophobicContact CD1-CB 3.93Å; I248-M379 HydrophobicContact CD1-CG 3.69Å; I248-M379 HydrophobicContact CD1-SD 3.99Å; F363-M379 HydrophobicContact CB-CB 4.03Å; F363-M379 HydrophobicContact CD1-CB 4.08Å; F363-M379 HydrophobicContact CD2-CB 3.46Å; F363-M379 VanDerWaalsContact CD2-CB 3.46Å; F363-M379 HydrophobicContact CD2-CG 4.25Å; F363-M379 HydrophobicContact CD2-SD 3.81Å; F363-M379 HydrophobicContact CE1-CB 4.45Å; F363-M379 HydrophobicContact CE2-CB 3.87Å; F363-M379 HydrophobicContact CE2-SD 4.42Å; F363-M379 HydrophobicContact CG-CB 3.57Å; F363-M379 HydrophobicContact CZ-CB 4.34Å; V368-M379 HydrophobicContact CG2-CE 4Å; S375-M379 WeakPolarHBondContact O-CG 3.39Å; S375-M379 PolarHBondContact O-N 3.39Å; R376-M379 PolarHBondContact O-N 3.48Å; M379-A382 PolarHBondContact O-N 3.2Å; M379-Q383 PolarHBondContact O-N 2.89Å
380A98Very high96.7Very high5 Ų530 Ų304%0.04117%0.173CC..Hα-helixtrans-61.3-47.8175.100000111.7E352 A355 F363 R376 L377 R378 A382 Q383 S384E352-A380 HydrophobicContact CB-CB 3.97Å; E352-A380 HydrophobicContact CG-CB 3.93Å; A355-A380 HydrophobicContact CB-CB 4.29Å; F363-A380 HydrophobicContact CD1-CB 4.33Å; F363-A380 VanDerWaalsContact CE1-CA 3.45Å; F363-A380 HydrophobicContact CE1-CB 3.52Å; F363-A380 HydrophobicContact CZ-CB 4.1Å; R376-A380 WeakPolarHBondContact O-CB 3.27Å; R376-A380 PolarHBondContact O-N 3.4Å; L377-A380 WeakPolarHBondContact O-CB 3.3Å; L377-A380 PolarHBondContact O-N 3.09Å; R378-A380 VanDerWaalsContact C-N 3.34Å; R378-A380 PolarHBondContact O-N 3.44Å; A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 3.18Å; A380-Q383 WeakPolarHBondContact O-CB 3.41Å; A380-Q383 PolarHBondContact O-N 2.92Å; A380-S384 PolarHBondContact O-N 2.92Å; A380-S384 PolarHBondContact O-OG 2.8Å
381I97.8Very high96.9Very high12 Ų1232.1 Ų32.16%0.06217%0.174CC..Hα-helixtrans-61.6-42176.9-68.3165.5000111.2V303 F305 P306 P348 E352 L377 R378 Q383 S384 L385V303-I381 HydrophobicContact CB-CG2 3.76Å; V303-I381 HydrophobicContact CG1-CG2 4.02Å; V303-I381 HydrophobicContact CG2-CG2 3.73Å; F305-I381 HydrophobicContact CD1-CB 4.28Å; F305-I381 HydrophobicContact CD1-CG2 4.01Å; F305-I381 HydrophobicContact CE1-CB 4.16Å; F305-I381 HydrophobicContact CE1-CG2 3.89Å; P306-I381 VanDerWaalsContact CD-CD1 3.45Å; P306-I381 HydrophobicContact CG-CD1 3.95Å; P348-I381 HydrophobicContact CG-CD1 4.35Å; E352-I381 HydrophobicContact CG-CG1 4.38Å; L377-I381 HydrophobicContact CD1-CD1 4.29Å; L377-I381 HydrophobicContact CG-CD1 4.08Å; L377-I381 VanDerWaalsContact O-CG1 3.31Å; L377-I381 WeakPolarHBondContact O-CG1 3.12Å; L377-I381 PolarHBondContact O-N 3.02Å; R378-I381 PolarHBondContact O-N 2.54Å; I381-Q383 VanDerWaalsContact C-N 3.33Å; I381-Q383 PolarHBondContact O-N 3.27Å; I381-S384 PolarHBondContact O-N 3.04Å; I381-L385 PolarHBondContact O-N 2.79Å
382A98.2Very high97.2Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-61.2-42.7175.300000111.6L245 I248 A249 F305 R378 M379 A380 L385 G386L245-A382 HydrophobicContact CB-CB 4.32Å; L245-A382 HydrophobicContact CD2-CB 4.06Å; L245-A382 WeakPolarHBondContact O-CB 3.31Å; I248-A382 HydrophobicContact CB-CB 4.36Å; I248-A382 HydrophobicContact CG2-CB 4.04Å; A249-A382 WeakPolarHBondContact CA-O 3.17Å; A249-A382 HydrophobicContact CB-CB 4.37Å; A249-A382 VanDerWaalsContact CB-O 3.26Å; A249-A382 WeakPolarHBondContact CB-O 3.32Å; F305-A382 HydrophobicContact CE1-CB 4.13Å; F305-A382 HydrophobicContact CZ-CB 4.07Å; R378-A382 WeakPolarHBondContact O-CB 3.33Å; R378-A382 PolarHBondContact O-N 3.43Å; M379-A382 PolarHBondContact O-N 3.2Å; A380-A382 VanDerWaalsContact C-N 3.34Å; A380-A382 PolarHBondContact O-N 3.18Å; A382-L385 WeakPolarHBondContact O-CB 3.43Å; A382-L385 PolarHBondContact O-N 2.77Å; A382-G386 PolarHBondContact O-N 3.12Å
383Q98.4Very high97.3Very high61 Ų6129.4 Ų29.429%0.28516%0.155SC..Hα-helixtrans-62.8-43.2175.9-174.4169.6-64.200111.5I248 S252 F363 M364 M379 A380 I381 L385 G386 C387I248-Q383 HydrophobicContact CG2-CB 3.87Å; S252-Q383 WeakPolarHBondContact CB-O 3.47Å; S252-Q383 PolarHBondContact OG-O 3.36Å; F363-Q383 VanDerWaalsContact CA-OE1 3.28Å; M364-Q383 HydrophobicContact CG-CG 4.26Å; M364-Q383 HydrophobicContact SD-CG 4.28Å; M379-Q383 PolarHBondContact O-N 2.89Å; A380-Q383 WeakPolarHBondContact O-CB 3.41Å; A380-Q383 PolarHBondContact O-N 2.92Å; I381-Q383 VanDerWaalsContact C-N 3.33Å; I381-Q383 PolarHBondContact O-N 3.27Å; Q383-L385 VanDerWaalsContact C-N 3.34Å; Q383-L385 PolarHBondContact O-N 3.45Å; Q383-G386 PolarHBondContact O-N 3.13Å; Q383-C387 PolarHBondContact O-N 3.24Å
384S98.2Very high97.4Very high40 Ų4027.7 Ų27.728%0.2815%0.148SC..Hα-helixtrans-62.8-37175.4-65.80000113.3E352 A380 I381 G386 C387 T388E352-S384 WeakPolarHBondContact OE1-CB 3.47Å; E352-S384 PolarHBondContact OE1-OG 3.02Å; A380-S384 PolarHBondContact O-N 2.92Å; A380-S384 PolarHBondContact O-OG 2.8Å; I381-S384 PolarHBondContact O-N 3.04Å; S384-G386 VanDerWaalsContact C-N 3.34Å; S384-G386 PolarHBondContact O-N 2.73Å; S384-C387 WeakPolarHBondContact O-CB 3.32Å; S384-C387 PolarHBondContact O-N 2.95Å; S384-T388 WeakPolarHBondContact O-CB 3.46Å; S384-T388 PolarHBondContact O-N 3.4Å; S384-T388 PolarHBondContact O-OG1 2.76Å
385L98.4Very high97.5Very high3 Ų332.2 Ų32.22%0.01617%0.173CC..Hα-helixtrans-57.8-48.5174.1172.565.5000110.7A249 L282 L284 A301 V303 I381 A382 Q383 C387 T388 V389A249-L385 HydrophobicContact CB-CD2 4.15Å; L282-L385 HydrophobicContact CB-CD2 4.34Å; L282-L385 HydrophobicContact CD2-CD2 3.74Å; L282-L385 HydrophobicContact CG-CD2 3.71Å; L284-L385 HydrophobicContact CB-CD1 4.41Å; L284-L385 HydrophobicContact CB-CD2 3.69Å; L284-L385 HydrophobicContact CB-CG 3.99Å; L284-L385 HydrophobicContact CD2-CG 4.46Å; A301-L385 HydrophobicContact CB-CD1 3.7Å; A301-L385 WeakPolarHBondContact O-CD1 3.26Å; V303-L385 HydrophobicContact CG1-CB 4.05Å; V303-L385 HydrophobicContact CG1-CD1 4.1Å; V303-L385 HydrophobicContact CG2-CB 4.25Å; V303-L385 HydrophobicContact CG2-CD2 3.95Å; I381-L385 PolarHBondContact O-N 2.79Å; A382-L385 WeakPolarHBondContact O-CB 3.43Å; A382-L385 PolarHBondContact O-N 2.77Å; Q383-L385 VanDerWaalsContact C-N 3.34Å; Q383-L385 PolarHBondContact O-N 3.45Å; L385-C387 VanDerWaalsContact C-N 3.34Å; L385-C387 PolarHBondContact O-N 3.02Å; L385-T388 WeakPolarHBondContact O-CB 3.34Å; L385-T388 PolarHBondContact O-N 2.86Å; L385-T388 VanDerWaalsContact O-N 3.11Å; L385-V389 HydrophobicContact CD1-CG2 4.16Å; L385-V389 PolarHBondContact O-N 3.21Å
386G98.2Very high97.6Very high0 Ų033.4 Ų33.40%018%0.181CC..Hα-helixtrans-57.3-45.2176.700000112.9A249 L253 A382 Q383 S384 T388 V389 A390A249-G386 VanDerWaalsContact O-CA 3.23Å; A249-G386 WeakPolarHBondContact O-CA 3.41Å; L253-G386 WeakPolarHBondContact CA-O 3.13Å; A382-G386 PolarHBondContact O-N 3.12Å; Q383-G386 PolarHBondContact O-N 3.13Å; S384-G386 VanDerWaalsContact C-N 3.34Å; S384-G386 PolarHBondContact O-N 2.73Å; G386-T388 VanDerWaalsContact C-N 3.32Å; G386-T388 PolarHBondContact O-N 3.17Å; G386-V389 PolarHBondContact O-N 3.29Å; G386-A390 WeakPolarHBondContact O-CB 3.35Å; G386-A390 PolarHBondContact O-N 3.26Å
387C97.9Very high97.5Very high25 Ų2533.1 Ų33.117%0.16919%0.186CC..Hα-helixtrans-59.6-41174.3-72.50000112.6S252 Q256 Q383 S384 L385 A390 K391S252-C387 PolarHBondContact OG-SG 3.2Å; S252-C387 VanDerWaalsContact OG-SG 3.36Å; Q256-C387 HydrophobicContact CG-CB 4.43Å; Q383-C387 PolarHBondContact O-N 3.24Å; S384-C387 WeakPolarHBondContact O-CB 3.32Å; S384-C387 PolarHBondContact O-N 2.95Å; L385-C387 VanDerWaalsContact C-N 3.34Å; L385-C387 PolarHBondContact O-N 3.02Å; C387-A390 PolarHBondContact O-N 2.88Å; C387-K391 WeakPolarHBondContact O-CG 3.48Å; C387-K391 PolarHBondContact O-N 3.46Å
388T98.2Very high97.4Very high77 Ų7732.5 Ų32.547%0.47218%0.182SC..Hα-helixtrans-65.9-46.6-178.5-61.10000111.2A301 S384 L385 G386 K391 S392A301-T388 HydrophobicContact CB-CG2 4.37Å; S384-T388 WeakPolarHBondContact O-CB 3.46Å; S384-T388 PolarHBondContact O-N 3.4Å; S384-T388 PolarHBondContact O-OG1 2.76Å; L385-T388 WeakPolarHBondContact O-CB 3.34Å; L385-T388 PolarHBondContact O-N 2.86Å; L385-T388 VanDerWaalsContact O-N 3.11Å; G386-T388 VanDerWaalsContact C-N 3.32Å; G386-T388 PolarHBondContact O-N 3.17Å; T388-K391 PolarHBondContact O-N 3.48Å; T388-S392 PolarHBondContact O-N 2.84Å
389V98.4Very high97.2Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-65.6-41177.6-179.40000110.8L253 L284 A286 R299 A301 L385 G386 S392 L393L253-V389 HydrophobicContact CD1-CB 3.7Å; L253-V389 HydrophobicContact CD1-CG1 3.41Å; L253-V389 VanDerWaalsContact CD1-CG1 3.41Å; L284-V389 HydrophobicContact CB-CG2 4.29Å; L284-V389 HydrophobicContact CD2-CB 4.31Å; L284-V389 HydrophobicContact CD2-CG2 4.15Å; L284-V389 HydrophobicContact CG-CG2 4.31Å; A286-V389 HydrophobicContact CB-CG1 3.9Å; R299-V389 HydrophobicContact CB-CG1 4.34Å; A301-V389 HydrophobicContact CB-CG2 3.64Å; L385-V389 HydrophobicContact CD1-CG2 4.16Å; L385-V389 PolarHBondContact O-N 3.21Å; G386-V389 PolarHBondContact O-N 3.29Å; V389-S392 WeakPolarHBondContact O-CB 3.37Å; V389-S392 PolarHBondContact O-N 2.92Å; V389-L393 HydrophobicContact CG1-CD1 4.41Å; V389-L393 WeakPolarHBondContact O-CG 3.35Å; V389-L393 PolarHBondContact O-N 2.79Å
390A97.7Very high97.1Very high0 Ų042 Ų420%023%0.23CC..Hα-helixtrans-60.1-46.4175.400000112.5L253 Q256 L257 G386 C387 S392 L393 L394L253-A390 HydrophobicContact CG-CB 4.31Å; Q256-A390 HydrophobicContact CB-CB 3.64Å; L257-A390 HydrophobicContact CD2-CB 4.14Å; L257-A390 HydrophobicContact CG-CB 4.04Å; G386-A390 WeakPolarHBondContact O-CB 3.35Å; G386-A390 PolarHBondContact O-N 3.26Å; C387-A390 PolarHBondContact O-N 2.88Å; A390-S392 VanDerWaalsContact C-N 3.31Å; A390-S392 PolarHBondContact O-N 2.92Å; A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.24Å; A390-L394 WeakPolarHBondContact O-CG 3.35Å; A390-L394 PolarHBondContact O-N 3.41Å
391K97.5Very high96.8Very high132 Ų13242 Ų4257%0.57423%0.229SC*.Hα-helixtrans-59.7-41.7174.6-74.2174.5-178.3179.80111.9C387 T388 L393 L394 L395C387-K391 WeakPolarHBondContact O-CG 3.48Å; C387-K391 PolarHBondContact O-N 3.46Å; T388-K391 PolarHBondContact O-N 3.48Å; K391-L393 VanDerWaalsContact C-N 3.34Å; K391-L393 PolarHBondContact O-N 2.88Å; K391-L394 PolarHBondContact O-N 3.24Å; K391-L395 WeakPolarHBondContact O-CB 3.42Å; K391-L395 VanDerWaalsContact O-CG 3.31Å; K391-L395 WeakPolarHBondContact O-CG 3.29Å; K391-L395 PolarHBondContact O-N 2.87Å
392S98Very high96.6Very high42 Ų4241.5 Ų41.529%0.29423%0.227SC..Hα-helixtrans-62.7-40.1177.4-173.60000112.3R299 T388 V389 A390 S396R299-S392 WeakPolarHBondContact CD-OG 3.45Å; R299-S392 WeakPolarHBondContact CG-OG 3.37Å; T388-S392 PolarHBondContact O-N 2.84Å; V389-S392 WeakPolarHBondContact O-CB 3.37Å; V389-S392 PolarHBondContact O-N 2.92Å; A390-S392 VanDerWaalsContact C-N 3.31Å; A390-S392 PolarHBondContact O-N 2.92Å; S392-S396 WeakPolarHBondContact O-CB 3.44Å; S392-S396 PolarHBondContact O-N 2.87Å; S392-S396 PolarHBondContact O-OG 2.82Å
393L97.8Very high96.3Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-61.9-49.4173.7-74.3166000111.3L253 L257 A286 I288 I297 R299 V389 A390 K391 L395 S396 A398L253-L393 HydrophobicContact CD1-CD1 4.09Å; L257-L393 HydrophobicContact CD1-CD1 4.08Å; L257-L393 HydrophobicContact CD2-CB 4.47Å; A286-L393 HydrophobicContact CB-CD1 3.98Å; I288-L393 HydrophobicContact CD1-CB 4.13Å; I288-L393 HydrophobicContact CD1-CD1 3.88Å; I288-L393 HydrophobicContact CD1-CD2 4.46Å; I288-L393 HydrophobicContact CD1-CG 4.39Å; I288-L393 HydrophobicContact CG1-CD1 4.21Å; I297-L393 HydrophobicContact CB-CD2 4.49Å; I297-L393 HydrophobicContact CG2-CD2 3.91Å; R299-L393 HydrophobicContact CB-CD2 3.88Å; R299-L393 HydrophobicContact CB-CG 4Å; R299-L393 HydrophobicContact CG-CD2 3.78Å; R299-L393 HydrophobicContact CG-CG 4.08Å; V389-L393 HydrophobicContact CG1-CD1 4.41Å; V389-L393 WeakPolarHBondContact O-CG 3.35Å; V389-L393 PolarHBondContact O-N 2.79Å; A390-L393 WeakPolarHBondContact O-CB 3.42Å; A390-L393 PolarHBondContact O-N 3.24Å; K391-L393 VanDerWaalsContact C-N 3.34Å; K391-L393 PolarHBondContact O-N 2.88Å; L393-L395 PolarHBondContact O-N 2.87Å; L393-S396 WeakPolarHBondContact O-CA 3.39Å; L393-S396 WeakPolarHBondContact O-CB 3.36Å; L393-S396 PolarHBondContact O-N 2.74Å; L393-A398 HydrophobicContact CB-CB 4.01Å; L393-A398 WeakPolarHBondContact O-CB 3.11Å; L393-A398 PolarHBondContact O-N 3.22Å
394L96.3Very high95.9Very high61 Ų6150.2 Ų50.232%0.31926%0.261SS..Iπ-helixtrans-59.8-46179.5-68.5170.2000111.9L257 A390 K391 S396 G397 D399 L402L257-L394 HydrophobicContact CD2-CD1 4.46Å; L257-L394 HydrophobicContact CD2-CD2 4.07Å; L257-L394 HydrophobicContact CD2-CG 3.98Å; A390-L394 WeakPolarHBondContact O-CG 3.35Å; A390-L394 PolarHBondContact O-N 3.41Å; K391-L394 PolarHBondContact O-N 3.24Å; L394-S396 PolarHBondContact O-N 3.33Å; L394-G397 PolarHBondContact O-N 2.75Å; L394-G397 VanDerWaalsContact O-N 3.15Å; L394-D399 HydrophobicContact CD2-CB 4.23Å; L394-L402 HydrophobicContact CD2-CD1 4.07Å
395L96.7Very high95.4Very high157 Ų15748.6 Ų48.682%0.82225%0.249SC*.Iπ-helixtrans-62.5-11.8175.2-71.8172.1000114K391 L393K391-L395 WeakPolarHBondContact O-CB 3.42Å; K391-L395 VanDerWaalsContact O-CG 3.31Å; K391-L395 WeakPolarHBondContact O-CG 3.29Å; K391-L395 PolarHBondContact O-N 2.87Å; L393-L395 PolarHBondContact O-N 2.87Å
396S96.6Very high94.8Very high38 Ų3852.9 Ų52.927%0.26627%0.265SS..Iπ-helixtrans-105.111.2-178.6-56.40000113.4I297 R299 S392 L393 L394I297-S396 VanDerWaalsContact CD1-O 3.24Å; I297-S396 WeakPolarHBondContact CD1-O 3.34Å; R299-S396 PolarHBondContact NE-OG 2.81Å; R299-S396 PolarHBondContact NH2-OG 3.17Å; S392-S396 WeakPolarHBondContact O-CB 3.44Å; S392-S396 PolarHBondContact O-N 2.87Å; S392-S396 PolarHBondContact O-OG 2.82Å; L393-S396 WeakPolarHBondContact O-CA 3.39Å; L393-S396 WeakPolarHBondContact O-CB 3.36Å; L393-S396 PolarHBondContact O-N 2.74Å; L394-S396 PolarHBondContact O-N 3.33Å
397G94.6Very high94.1Very high18 Ų1855.9 Ų55.919%0.18629%0.286CS..Iπ-helixtrans94.913.3178.100000114.8I297 L394 D399 E400I297-G397 WeakPolarHBondContact CD1-O 3.37Å; L394-G397 PolarHBondContact O-N 2.75Å; L394-G397 VanDerWaalsContact O-N 3.15Å; G397-D399 VanDerWaalsContact CA-OD1 3.26Å; G397-D399 WeakPolarHBondContact CA-OD1 3.39Å; G397-D399 PolarHBondContact O-N 2.88Å; G397-E400 PolarHBondContact O-N 3.22Å
398A94.7Very high93.1Very high0 Ų060.8 Ų60.80%031%0.307CS..Iπ-helixtrans-67.6-24177.800000113.1I288 I297 L393 E400 I401 L402I288-A398 HydrophobicContact CD1-CB 3.58Å; I297-A398 HydrophobicContact CD1-CB 4.23Å; I297-A398 VanDerWaalsContact CD1-N 3.3Å; L393-A398 HydrophobicContact CB-CB 4.01Å; L393-A398 WeakPolarHBondContact O-CB 3.11Å; L393-A398 PolarHBondContact O-N 3.22Å; A398-E400 VanDerWaalsContact C-N 3.32Å; A398-I401 PolarHBondContact O-N 3.03Å; A398-L402 WeakPolarHBondContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CG 3.3Å; A398-L402 PolarHBondContact O-N 3.2Å
399D93.2Very high91.6Very high86 Ų8660.8 Ų60.846%0.4631%0.31SS..Hα-helixtrans-59.3-39.817359.5-33.3000112.5L394 G397 L402 Y403L394-D399 HydrophobicContact CD2-CB 4.23Å; G397-D399 VanDerWaalsContact CA-OD1 3.26Å; G397-D399 WeakPolarHBondContact CA-OD1 3.39Å; G397-D399 PolarHBondContact O-N 2.88Å; D399-L402 PolarHBondContact O-N 2.78Å; D399-Y403 VanDerWaalsContact O-CB 3.32Å; D399-Y403 WeakPolarHBondContact O-CB 3.46Å; D399-Y403 PolarHBondContact O-N 2.84Å
400E93.7Very high89.5Confident124 Ų12465.9 Ų65.958%0.57935%0.346SS*.Hα-helixtrans-62-47.2175-62.7-178.3179.300111.6G397 A398 L402 Y403 E404G397-E400 PolarHBondContact O-N 3.22Å; A398-E400 VanDerWaalsContact C-N 3.32Å; E400-L402 VanDerWaalsContact C-N 3.35Å; E400-L402 PolarHBondContact O-N 3.43Å; E400-Y403 PolarHBondContact O-N 2.86Å; E400-E404 WeakPolarHBondContact O-CG 3.41Å; E400-E404 PolarHBondContact O-N 2.81Å
401I93.5Very high86.9Confident6 Ų671.8 Ų71.83%0.03141%0.406CS..Hα-helixtrans-62.2-44.3177.3-61178.9000110.4I288 K295 I297 A398 Y403 E404 I405I288-I401 HydrophobicContact CG2-CB 4.36Å; I288-I401 HydrophobicContact CG2-CG2 3.9Å; K295-I401 HydrophobicContact CB-CD1 3.86Å; K295-I401 HydrophobicContact CB-CG1 4.26Å; K295-I401 HydrophobicContact CD-CG1 4.26Å; I297-I401 HydrophobicContact CD1-CD1 3.83Å; I297-I401 HydrophobicContact CG1-CD1 4.08Å; A398-I401 PolarHBondContact O-N 3.03Å; I401-Y403 VanDerWaalsContact C-N 3.33Å; I401-Y403 PolarHBondContact O-N 2.98Å; I401-E404 PolarHBondContact O-N 3.35Å; I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 WeakPolarHBondContact O-CD1 3.33Å; I401-I405 VanDerWaalsContact O-CG1 3.27Å; I401-I405 WeakPolarHBondContact O-CG1 3.4Å; I401-I405 PolarHBondContact O-N 2.71Å; I401-I405 VanDerWaalsContact O-N 3.07Å
402L92.2Very high86.3Confident2 Ų268.8 Ų68.81%0.0140%0.398CS..Hα-helixtrans-63.1-40178.5-72.1170.3000111.8L257 I263 L394 A398 D399 E400 I405 R406L257-L402 HydrophobicContact CD2-CD1 4.36Å; I263-L402 HydrophobicContact CD1-CD2 3.96Å; I263-L402 HydrophobicContact CG1-CD2 4.5Å; I263-L402 HydrophobicContact CG2-CD2 3.5Å; I263-L402 VanDerWaalsContact CG2-CD2 3.5Å; L394-L402 HydrophobicContact CD2-CD1 4.07Å; A398-L402 WeakPolarHBondContact O-CB 3.26Å; A398-L402 WeakPolarHBondContact O-CG 3.3Å; A398-L402 PolarHBondContact O-N 3.2Å; D399-L402 PolarHBondContact O-N 2.78Å; E400-L402 VanDerWaalsContact C-N 3.35Å; E400-L402 PolarHBondContact O-N 3.43Å; L402-I405 PolarHBondContact O-N 2.85Å; L402-R406 WeakPolarHBondContact O-CB 3.39Å; L402-R406 WeakPolarHBondContact O-CD 3.32Å; L402-R406 WeakPolarHBondContact O-CG 3.25Å; L402-R406 PolarHBondContact O-N 3.02Å
403Y91.2Very high85.7Confident173 Ų17370.2 Ų70.268%0.67840%0.403SS*.Hα-helixtrans-63.5-45.9176.4-179.3-96.3000111.8D399 E400 I401 I405 R406 S407D399-Y403 VanDerWaalsContact O-CB 3.32Å; D399-Y403 WeakPolarHBondContact O-CB 3.46Å; D399-Y403 PolarHBondContact O-N 2.84Å; E400-Y403 PolarHBondContact O-N 2.86Å; I401-Y403 VanDerWaalsContact C-N 3.33Å; I401-Y403 PolarHBondContact O-N 2.98Å; Y403-I405 PolarHBondContact O-N 2.8Å; Y403-R406 PolarHBondContact O-N 2.59Å; Y403-S407 WeakPolarHBondContact O-CB 3.44Å; Y403-S407 PolarHBondContact O-N 3.46Å; Y403-S407 PolarHBondContact O-OG 3.12Å
404E90.1Very high85Confident70 Ų7074.1 Ų74.133%0.32743%0.426SS..Hα-helixtrans-57.5-45.8175.1-72.9175.4175.200111.8K295 E400 I401 R406 S407 Q408K295-E404 IonicContact NZ-OE1 3.59Å; K295-E404 PolarHBondContact NZ-OE1 2.81Å; K295-E404 IonicContact NZ-OE2 3.55Å; K295-E404 PolarHBondContact NZ-OE2 2.89Å; E400-E404 WeakPolarHBondContact O-CG 3.41Å; E400-E404 PolarHBondContact O-N 2.81Å; I401-E404 PolarHBondContact O-N 3.35Å; E404-R406 PolarHBondContact O-N 3.21Å; E404-S407 PolarHBondContact O-OG 2.81Å; E404-Q408 WeakPolarHBondContact O-CG 3.45Å; E404-Q408 PolarHBondContact O-N 2.63Å
405I87.9Confident84.4Confident6 Ų674.8 Ų74.83%0.03143%0.432CS..Hα-helixtrans-64.2-43.5179.5-65.5160.4000111.7I263 P264 V291 I401 L402 Y403 Q408 S409I263-I405 HydrophobicContact CG1-CG2 4.35Å; I263-I405 HydrophobicContact CG2-CD1 4.15Å; P264-I405 HydrophobicContact CG-CD1 4.42Å; V291-I405 HydrophobicContact CG2-CG1 3.84Å; V291-I405 HydrophobicContact CG2-CG2 4.37Å; I401-I405 HydrophobicContact CG2-CD1 3.8Å; I401-I405 WeakPolarHBondContact O-CD1 3.33Å; I401-I405 VanDerWaalsContact O-CG1 3.27Å; I401-I405 WeakPolarHBondContact O-CG1 3.4Å; I401-I405 PolarHBondContact O-N 2.71Å; I401-I405 VanDerWaalsContact O-N 3.07Å; L402-I405 PolarHBondContact O-N 2.85Å; Y403-I405 PolarHBondContact O-N 2.8Å; I405-Q408 PolarHBondContact O-N 3.12Å; I405-S409 PolarHBondContact O-N 3.42Å; I405-S409 PolarHBondContact O-OG 3.28Å; I405-S409 VanDerWaalsContact O-OG 3.04Å
406R85.8Confident83.6Confident93 Ų9369.7 Ų69.735%0.35141%0.407SS..Hα-helixtrans-69.5-38.3-177-72.3168.3178.8151.94.3111.8L257 D258 L402 Y403 E404 Q408 S409 S410L257-R406 PolarHBondContact O-NH2 3.11Å; D258-R406 PolarHBondContact O-NH2 3.4Å; D258-R406 VanDerWaalsContact O-NH2 3.12Å; D258-R406 IonicContact OD2-NH2 3.52Å; L402-R406 WeakPolarHBondContact O-CB 3.39Å; L402-R406 WeakPolarHBondContact O-CD 3.32Å; L402-R406 WeakPolarHBondContact O-CG 3.25Å; L402-R406 PolarHBondContact O-N 3.02Å; Y403-R406 PolarHBondContact O-N 2.59Å; E404-R406 PolarHBondContact O-N 3.21Å; R406-Q408 VanDerWaalsContact C-N 3.33Å; R406-Q408 PolarHBondContact O-N 3.05Å; R406-S409 PolarHBondContact O-N 3.34Å; R406-S410 PolarHBondContact O-N 3.2Å; R406-S410 PolarHBondContact O-OG 3.37Å
407S84.7Confident82.7Confident63 Ų6371.8 Ų71.844%0.44142%0.417SS..Hα-helixtrans-63.3-37.7175.4620000112.5Y403 E404 S409 S410Y403-S407 WeakPolarHBondContact O-CB 3.44Å; Y403-S407 PolarHBondContact O-N 3.46Å; Y403-S407 PolarHBondContact O-OG 3.12Å; E404-S407 PolarHBondContact O-OG 2.81Å; S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 2.94Å; S407-S410 PolarHBondContact O-N 3.38Å
408Q76.7Confident81.9Confident128 Ų12875.6 Ų75.660%0.59843%0.433SS*.Hα-helixtrans-69.6-24.6175.9-69.8176.33.500114.2E404 I405 R406E404-Q408 WeakPolarHBondContact O-CG 3.45Å; E404-Q408 PolarHBondContact O-N 2.63Å; I405-Q408 PolarHBondContact O-N 3.12Å; R406-Q408 VanDerWaalsContact C-N 3.33Å; R406-Q408 PolarHBondContact O-N 3.05Å
409S65.5Low80.9Confident77 Ų7781.5 Ų81.554%0.53847%0.467SS..Hα-helixtrans-84.6-13-179.5-55.80000113.1I405 R406 S407I405-S409 PolarHBondContact O-N 3.42Å; I405-S409 PolarHBondContact O-OG 3.28Å; I405-S409 VanDerWaalsContact O-OG 3.04Å; R406-S409 PolarHBondContact O-N 3.34Å; S407-S409 VanDerWaalsContact C-N 3.32Å; S407-S409 PolarHBondContact O-N 2.94Å
410S56Low79.9Confident108 Ų10881.1 Ų81.176%0.75547%0.467SS*.  trans-95.6-10.9-175.9-51.40000113.5R406 S407R406-S410 PolarHBondContact O-N 3.2Å; R406-S410 PolarHBondContact O-OG 3.37Å; S407-S410 PolarHBondContact O-N 3.38Å
411G41.6Very low78.7Confident123 Ų12377.2 Ų77.2100%1.26846%0.457SS*.  trans-104.30172.500000111.1

Retrieved 411 of 411 residues in 87.7 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).