A0A096MQI5_PAPAN Loading...

Leucine rich repeat containing 8 VRAC subunit B

AlphaFold DB , UniProt , Accession A0A096MQI5, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC8B, Length 803 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
1M46.7Very low55.5Low214 Ų214103.6 Ų103.6100%1.05455%0.554SS**  0119.70-87.5178164.100106.9T3M1-T3 PolarHBondContact O-N 3.35Å
2I52.8Low55.2Low90 Ų90103.4 Ų103.446%0.46255%0.553SS.*  trans-69.6123.5169.6-61.9166.9000106.1L126I2-L126 HydrophobicContact CD1-CD1 4.19Å; I2-L126 HydrophobicContact CD1-CD2 3.96Å
3T57.3Low55.1Low70 Ų7098.8 Ų98.843%0.42954%0.538SS..  trans-79.5142.8177.952.60000109.7M1 T5 E6M1-T3 PolarHBondContact O-N 3.35Å; T3-T5 WeakPolarHBondContact CB-OG1 3.49Å; T3-T5 PolarHBondContact O-N 3.02Å; T3-T5 PolarHBondContact OG1-OG1 2.8Å; T3-E6 PolarHBondContact O-N 3.3Å
4L57.9Low55.2Low155 Ų15593.7 Ų93.781%0.81251%0.509SS*.Hα-helixtrans-54.3-18.5174.9-99.8123.5000113.5L7 K8L4-L7 WeakPolarHBondContact O-CB 3.43Å; L4-K8 PolarHBondContact O-N 2.83Å
5T54.5Low55.5Low98 Ų9894.4 Ų94.460%0.60152%0.523SS*.Hα-helixtrans-71.1-34.2176.448.60000113.8T3 L7 K8T3-T5 WeakPolarHBondContact CB-OG1 3.49Å; T3-T5 PolarHBondContact O-N 3.02Å; T3-T5 PolarHBondContact OG1-OG1 2.8Å; T5-L7 VanDerWaalsContact C-N 3.27Å; T5-L7 PolarHBondContact O-N 3.41Å; T5-K8 WeakPolarHBondContact O-CB 3.38Å; T5-K8 PolarHBondContact O-N 3.4Å
6E61.3Low55.9Low124 Ų12492.8 Ų92.858%0.57952%0.52SS*.Hα-helixtrans-70.4-29.5176.8-68.7-176.8161.700111.4T3 K8 C9T3-E6 PolarHBondContact O-N 3.3Å; E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.16Å; E6-C9 PolarHBondContact O-N 2.66Å
7L57.5Low56.9Low49 Ų4988.2 Ų88.226%0.25749%0.493SS..Hα-helixtrans-66.5-29.1171.9-100.5153000113.7L4 T5 C9 L10 A11 L36L4-L7 WeakPolarHBondContact O-CB 3.43Å; T5-L7 VanDerWaalsContact C-N 3.27Å; T5-L7 PolarHBondContact O-N 3.41Å; L7-C9 VanDerWaalsContact C-N 3.33Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-A11 PolarHBondContact O-N 3.4Å; L7-L36 HydrophobicContact CD1-CD2 3.53Å; L7-L36 HydrophobicContact CD1-CG 4.32Å; L7-L36 HydrophobicContact CD2-CD2 3.15Å; L7-L36 HydrophobicContact CG-CD2 3.75Å
8K55.8Low58.1Low133 Ų13388.6 Ų88.658%0.57849%0.491SS*.Hα-helixtrans-68-33.7177.1-163.7178.6176.6-178.10112L4 T5 E6 L10 A11 D12L4-K8 PolarHBondContact O-N 2.83Å; T5-K8 WeakPolarHBondContact O-CB 3.38Å; T5-K8 PolarHBondContact O-N 3.4Å; E6-K8 VanDerWaalsContact C-N 3.3Å; E6-K8 PolarHBondContact O-N 3.16Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.06Å; K8-A11 WeakPolarHBondContact O-CB 3.4Å; K8-A11 PolarHBondContact O-N 3.46Å; K8-D12 PolarHBondContact O-N 3.03Å
9C55Low59.3Low92 Ų9284.5 Ų84.562%0.62247%0.468SS*.Hα-helixtrans-64-32.6175.3-72.90000112.9E6 L7 A11 A13E6-C9 PolarHBondContact O-N 2.66Å; L7-C9 VanDerWaalsContact C-N 3.33Å; C9-A11 VanDerWaalsContact C-N 3.28Å; C9-A11 PolarHBondContact O-N 3.02Å; C9-A13 PolarHBondContact O-N 3.43Å
10L56Low60.5Low81 Ų8180.3 Ų80.342%0.42444%0.444SS..Hα-helixtrans-70.8-24173.9-74.4165.7000113L7 K8 Q14L7-L10 PolarHBondContact O-N 3.22Å; K8-L10 VanDerWaalsContact C-N 3.29Å; K8-L10 PolarHBondContact O-N 3.06Å; L10-Q14 WeakPolarHBondContact O-CG 3.3Å; L10-Q14 PolarHBondContact O-NE2 3.24Å
11A55.5Low61.6Low34 Ų3477.4 Ų77.428%0.28143%0.427SS..Hα-helixtrans-84.7-43.4176.900000112L7 K8 C9 A13 Q14 Y29L7-A11 PolarHBondContact O-N 3.4Å; K8-A11 WeakPolarHBondContact O-CB 3.4Å; K8-A11 PolarHBondContact O-N 3.46Å; C9-A11 VanDerWaalsContact C-N 3.28Å; C9-A11 PolarHBondContact O-N 3.02Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.09Å; A11-Q14 WeakPolarHBondContact O-CB 3.5Å; A11-Q14 PolarHBondContact O-N 3.06Å; A11-Y29 VanDerWaalsContact CB-OH 3.25Å; A11-Y29 WeakPolarHBondContact CB-OH 3.34Å
12D52.6Low63.4Low101 Ų10167.3 Ų67.354%0.5438%0.378SS..Hα-helixtrans-69.2-28.5-175.3-73.9-21.3000113.1K8 Q14 S15K8-D12 PolarHBondContact O-N 3.03Å; D12-Q14 PolarHBondContact O-N 3.21Å; D12-Q14 VanDerWaalsContact O-N 3.11Å; D12-S15 PolarHBondContact O-OG 3.19Å
13A53.6Low65.1Low43 Ų4369.4 Ų69.436%0.35538%0.38SS..THydrogen-bonded Turntrans-67.1-6.6176.400000114.7C9 A11C9-A13 PolarHBondContact O-N 3.43Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.09Å
14Q56.9Low66.6Low28 Ų2866.1 Ų66.113%0.13136%0.36CS..THydrogen-bonded Turntrans-97.7-9.5-170-60.5-169.66.900115.4L10 A11 D12 S16 K21 Y29L10-Q14 WeakPolarHBondContact O-CG 3.3Å; L10-Q14 PolarHBondContact O-NE2 3.24Å; A11-Q14 WeakPolarHBondContact O-CB 3.5Å; A11-Q14 PolarHBondContact O-N 3.06Å; D12-Q14 PolarHBondContact O-N 3.21Å; D12-Q14 VanDerWaalsContact O-N 3.11Å; Q14-S16 PolarHBondContact O-N 3.49Å; Q14-K21 VanDerWaalsContact CD-NZ 3.32Å; Q14-K21 VanDerWaalsContact OE1-NZ 3.09Å; Q14-Y29 VanDerWaalsContact NE2-CD2 3.29Å
15S58.9Low68Low104 Ų10459.5 Ų59.573%0.72733%0.325SS*.G310 helixtrans-69.5-31.5-171.154.80000114.2D12 Y17D12-S15 PolarHBondContact O-OG 3.19Å; S15-Y17 PolarHBondContact O-N 2.77Å
16S63Low69.5Low68 Ų6857 Ų5748%0.47631%0.309SS..G310 helixtrans-78.1-16-177.3530000114.9Q14Q14-S16 PolarHBondContact O-N 3.49Å
17Y72.7Confident70.9Confident15 Ų1555 Ų556%0.05930%0.299CS..G310 helixtrans-114.415.4-172.2-61.7-75.7000114.1S15 I19 L20 L140 L149 E150 V153S15-Y17 PolarHBondContact O-N 2.77Å; Y17-I19 PolarHBondContact O-N 3.3Å; Y17-I19 VanDerWaalsContact O-N 3.16Å; Y17-L20 HydrophobicContact CD1-CD1 4.31Å; Y17-L20 PolarHBondContact O-N 3Å; Y17-L140 HydrophobicContact CD1-CD2 4.26Å; Y17-L140 HydrophobicContact CD2-CD2 4.45Å; Y17-L140 HydrophobicContact CG-CD2 4.07Å; Y17-L149 HydrophobicContact CE1-CB 4.2Å; Y17-E150 HydrophobicContact CE1-CG 4.07Å; Y17-E150 WeakPolarHBondContact OH-CG 3.26Å; Y17-E150 PolarHBondContact OH-OE1 2.87Å; Y17-V153 HydrophobicContact CD1-CG2 4.47Å
18H77.7Confident72.4Confident96 Ų9652.7 Ų52.744%0.44429%0.287SS..G310 helixtrans-57.4-33.9-174.4-168.5-92.7000113.2L20 K21 Y376H18-L20 PolarHBondContact O-N 3.44Å; H18-K21 PolarHBondContact O-N 2.96Å; H18-Y376 AromaticContact CE1-CE2 3.46Å; H18-Y376 VanDerWaalsContact CE1-CE2 3.46Å; H18-Y376 WeakPolarHBondContact CE1-CE2 3.3Å; H18-Y376 AromaticContact CE1-CZ 3.86Å; H18-Y376 PolarHBondContact CE1-OH 2.95Å; H18-Y376 AromaticContact ND1-CE2 3.27Å; H18-Y376 VanDerWaalsContact ND1-CE2 3.27Å; H18-Y376 WeakPolarHBondContact ND1-CE2 3.12Å; H18-Y376 AromaticContact ND1-CZ 3.43Å; H18-Y376 PolarHBondContact ND1-OH 3.2Å
19I80.9Confident73.9Confident10 Ų1049.1 Ų49.15%0.05127%0.27CS..G310 helixtrans-65.7-23.3-178.9-57.2163.4000112.5Y17 L156 H157 Y376 Y380Y17-I19 PolarHBondContact O-N 3.3Å; Y17-I19 VanDerWaalsContact O-N 3.16Å; I19-L156 HydrophobicContact CD1-CD2 4.43Å; I19-L156 HydrophobicContact CG2-CD2 3.65Å; I19-H157 VanDerWaalsContact CD1-CE1 3.44Å; I19-H157 WeakPolarHBondContact CD1-CE1 3Å; I19-H157 VanDerWaalsContact CD1-NE2 3.34Å; I19-H157 WeakPolarHBondContact CD1-NE2 3.38Å; I19-Y376 HydrophobicContact CB-CD1 4.47Å; I19-Y376 HydrophobicContact CG1-CE1 4.38Å; I19-Y376 HydrophobicContact CG2-CD1 4.08Å; I19-Y376 WeakPolarHBondContact O-CB 3.26Å; I19-Y380 HydrophobicContact CD1-CE1 4.32Å; I19-Y380 HydrophobicContact CG2-CD2 4.19Å; I19-Y380 HydrophobicContact CG2-CE2 4.13Å
20L82.8Confident75.6Confident0 Ų051.2 Ų51.20%027%0.266CS..G310 helixtrans-96.4-0.2-177.7-68.4173.5000113.4Y17 H18 P22 W139 L149 F152 V153 I369Y17-L20 HydrophobicContact CD1-CD1 4.31Å; Y17-L20 PolarHBondContact O-N 3Å; H18-L20 PolarHBondContact O-N 3.44Å; L20-P22 WeakPolarHBondContact O-CD 3.45Å; L20-W139 HydrophobicContact CB-CH2 4.31Å; L20-L149 HydrophobicContact CD1-CB 4.26Å; L20-L149 HydrophobicContact CD1-CD2 3.95Å; L20-F152 HydrophobicContact CD2-CD1 4.09Å; L20-F152 HydrophobicContact CD2-CE1 3.97Å; L20-V153 HydrophobicContact CD1-CG2 3.59Å; L20-V153 HydrophobicContact CG-CG2 4.08Å; L20-I369 HydrophobicContact CD2-CG2 3.59Å
21K84.1Confident77.2Confident20 Ų2047.7 Ų47.79%0.08725%0.247CC..  trans-102.8108.9-178.2-71.5-175176.5-176.80110.3Q14 H18 D25 V26Q14-K21 VanDerWaalsContact CD-NZ 3.32Å; Q14-K21 VanDerWaalsContact OE1-NZ 3.09Å; H18-K21 PolarHBondContact O-N 2.96Å; K21-D25 HydrophobicContact CB-CB 4.14Å; K21-D25 HydrophobicContact CG-CB 4.33Å; K21-V26 HydrophobicContact CB-CG2 4.34Å
22P85.1Confident78.8Confident2 Ų246.7 Ų46.71%0.01324%0.238CC..  trans-68170.1170.8-17.633.5000111.2L20 W24 D25 V26 L372L20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-W24 HydrophobicContact CB-CD2 3.77Å; P22-W24 HydrophobicContact CB-CE3 4.17Å; P22-W24 HydrophobicContact CB-CG 4.36Å; P22-W24 HydrophobicContact CB-CH2 3.88Å; P22-W24 HydrophobicContact CB-CZ2 3.44Å; P22-W24 VanDerWaalsContact CB-CZ2 3.44Å; P22-W24 HydrophobicContact CB-CZ3 4.22Å; P22-W24 HydrophobicContact CG-CD2 4.45Å; P22-W24 HydrophobicContact CG-CH2 4.21Å; P22-W24 HydrophobicContact CG-CZ2 3.43Å; P22-W24 VanDerWaalsContact CG-CZ2 3.43Å; P22-W24 PolarHBondContact O-N 3.18Å; P22-W24 VanDerWaalsContact O-N 3.09Å; P22-D25 WeakPolarHBondContact CD-OD2 3.33Å; P22-D25 PolarHBondContact O-N 3.31Å; P22-V26 PolarHBondContact O-N 3.3Å; P22-L372 HydrophobicContact CG-CD2 3.85Å
23W87.8Confident80.5Confident135 Ų13545.6 Ų45.651%0.51123%0.232SC..Hα-helixtrans-55.8-31.6-177.465.6-94.6000114F27 Y332W23-F27 WeakPolarHBondContact O-CB 3.37Å; W23-F27 PolarHBondContact O-N 3.15Å; W23-Y332 HydrophobicContact CH2-CD1 4.12Å; W23-Y332 HydrophobicContact CH2-CE1 4.06Å; W23-Y332 AromaticContact CZ2-CD1 3.96Å; W23-Y332 HydrophobicContact CZ2-CD1 3.96Å; W23-Y332 AromaticContact CZ2-CE1 3.44Å; W23-Y332 HydrophobicContact CZ2-CE1 3.44Å; W23-Y332 VanDerWaalsContact CZ2-CE1 3.44Å
24W88.9Confident82.2Confident1 Ų146.7 Ų46.70%0.00423%0.231CC..Hα-helixtrans-69.5-36.1178.152.272000112.9P22 F27 W28 Y258 Y332 W336 Q375P22-W24 HydrophobicContact CB-CD2 3.77Å; P22-W24 HydrophobicContact CB-CE3 4.17Å; P22-W24 HydrophobicContact CB-CG 4.36Å; P22-W24 HydrophobicContact CB-CH2 3.88Å; P22-W24 HydrophobicContact CB-CZ2 3.44Å; P22-W24 VanDerWaalsContact CB-CZ2 3.44Å; P22-W24 HydrophobicContact CB-CZ3 4.22Å; P22-W24 HydrophobicContact CG-CD2 4.45Å; P22-W24 HydrophobicContact CG-CH2 4.21Å; P22-W24 HydrophobicContact CG-CZ2 3.43Å; P22-W24 VanDerWaalsContact CG-CZ2 3.43Å; P22-W24 PolarHBondContact O-N 3.18Å; P22-W24 VanDerWaalsContact O-N 3.09Å; W24-F27 PolarHBondContact O-N 3.15Å; W24-W28 HydrophobicContact CB-CZ2 4.09Å; W24-W28 AromaticContact CD1-CH2 3.55Å; W24-W28 AromaticContact CD1-CZ2 3.94Å; W24-W28 AromaticContact CD1-CZ3 3.83Å; W24-W28 HydrophobicContact CG-CH2 4.27Å; W24-W28 HydrophobicContact CG-CZ2 4.24Å; W24-W28 VanDerWaalsContact O-CD2 3.32Å; W24-W28 PolarHBondContact O-N 2.87Å; W24-Y258 PolarHBondContact NE1-OH 3.06Å; W24-Y258 VanDerWaalsContact NE1-OH 3.16Å; W24-Y332 HydrophobicContact CE3-CD1 4.4Å; W24-Y332 AromaticContact CE3-CE1 3.91Å; W24-Y332 HydrophobicContact CE3-CE1 3.91Å; W24-Y332 HydrophobicContact CZ3-CE1 4.01Å; W24-W336 AromaticContact CH2-CD2 3.93Å; W24-W336 HydrophobicContact CH2-CD2 3.93Å; W24-W336 AromaticContact CH2-CE3 3.89Å; W24-W336 HydrophobicContact CH2-CE3 3.89Å; W24-W336 HydrophobicContact CH2-CH2 4.25Å; W24-W336 HydrophobicContact CH2-CZ2 4.28Å; W24-W336 HydrophobicContact CH2-CZ3 4.05Å; W24-W336 HydrophobicContact CZ2-CD2 4.47Å; W24-W336 AromaticContact CZ2-CE3 3.97Å; W24-W336 HydrophobicContact CZ2-CE3 3.97Å; W24-W336 HydrophobicContact CZ2-CH2 4.37Å; W24-W336 AromaticContact CZ2-CZ3 3.91Å; W24-W336 HydrophobicContact CZ2-CZ3 3.91Å; W24-Q375 HydrophobicContact CH2-CG 4.49Å
25D86.9Confident83.8Confident15 Ų1545.4 Ų45.48%0.0823%0.225CC..Hα-helixtrans-67.9-40.7177.9-87.3-35.7000110.8K21 P22 F27 W28 Y29 Y258K21-D25 HydrophobicContact CB-CB 4.14Å; K21-D25 HydrophobicContact CG-CB 4.33Å; P22-D25 WeakPolarHBondContact CD-OD2 3.33Å; P22-D25 PolarHBondContact O-N 3.31Å; D25-F27 VanDerWaalsContact C-N 3.32Å; D25-W28 HydrophobicContact CB-CE3 4.49Å; D25-W28 PolarHBondContact O-N 2.89Å; D25-W28 WeakPolarHBondContact OD1-CZ3 3.38Å; D25-Y29 PolarHBondContact O-N 3.15Å; D25-Y258 PolarHBondContact OD2-OH 2.68Å
26V87.6Confident85.3Confident45 Ų4541.5 Ų41.527%0.27320%0.195SC..Hα-helixtrans-62-43.6174.1179.50000110.1K21 P22 Y29 Y30K21-V26 HydrophobicContact CB-CG2 4.34Å; P22-V26 PolarHBondContact O-N 3.3Å; V26-Y29 WeakPolarHBondContact O-CB 3.28Å; V26-Y29 PolarHBondContact O-N 3.29Å; V26-Y30 HydrophobicContact CG1-CD2 4.02Å; V26-Y30 HydrophobicContact CG1-CE2 3.54Å; V26-Y30 WeakPolarHBondContact O-CD2 3.47Å; V26-Y30 PolarHBondContact O-N 3.2Å
27F90.2Very high86.5Confident82 Ų8243.7 Ų43.736%0.3620%0.201SC..Hα-helixtrans-64.6-42.3177.5-169-114.2000112.8W23 W24 D25 Y29 Y30 I31 T329W23-F27 WeakPolarHBondContact O-CB 3.37Å; W23-F27 PolarHBondContact O-N 3.15Å; W24-F27 PolarHBondContact O-N 3.15Å; D25-F27 VanDerWaalsContact C-N 3.32Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 2.87Å; F27-Y30 PolarHBondContact O-N 3.18Å; F27-I31 HydrophobicContact CD1-CD1 3.51Å; F27-I31 HydrophobicContact CD1-CG1 4.44Å; F27-I31 HydrophobicContact CE1-CD1 3.18Å; F27-I31 HydrophobicContact CE1-CG1 4.23Å; F27-I31 HydrophobicContact CE2-CD1 4.38Å; F27-I31 HydrophobicContact CG-CD1 4.27Å; F27-I31 HydrophobicContact CZ-CD1 3.66Å; F27-I31 HydrophobicContact CZ-CG1 4.33Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 3.17Å; F27-T329 HydrophobicContact CD1-CG2 3.71Å; F27-T329 HydrophobicContact CE1-CG2 3.7Å
28W89.4Confident87.4Confident1 Ų143.3 Ų43.30%0.00420%0.201CC..Hα-helixtrans-59-41.9174.7-67.3-20.8000112.2W24 D25 I31 T32 I262 K265 Y326 T329 S333W24-W28 HydrophobicContact CB-CZ2 4.09Å; W24-W28 AromaticContact CD1-CH2 3.55Å; W24-W28 AromaticContact CD1-CZ2 3.94Å; W24-W28 AromaticContact CD1-CZ3 3.83Å; W24-W28 HydrophobicContact CG-CH2 4.27Å; W24-W28 HydrophobicContact CG-CZ2 4.24Å; W24-W28 VanDerWaalsContact O-CD2 3.32Å; W24-W28 PolarHBondContact O-N 2.87Å; D25-W28 HydrophobicContact CB-CE3 4.49Å; D25-W28 PolarHBondContact O-N 2.89Å; D25-W28 WeakPolarHBondContact OD1-CZ3 3.38Å; W28-I31 PolarHBondContact O-N 3.12Å; W28-T32 WeakPolarHBondContact O-CG2 3.41Å; W28-T32 PolarHBondContact O-N 2.96Å; W28-T32 PolarHBondContact O-OG1 3.06Å; W28-T32 VanDerWaalsContact O-OG1 3.13Å; W28-I262 HydrophobicContact CH2-CD1 4.46Å; W28-I262 HydrophobicContact CH2-CG1 4.31Å; W28-K265 VanDerWaalsContact CZ3-NZ 3.31Å; W28-Y326 HydrophobicContact CB-CD2 4.35Å; W28-Y326 HydrophobicContact CB-CE2 3.7Å; W28-Y326 AromaticContact CD1-CD2 3.9Å; W28-Y326 AromaticContact CD1-CE2 3.83Å; W28-Y326 HydrophobicContact CG-CD2 4.3Å; W28-Y326 AromaticContact CG-CE2 3.79Å; W28-Y326 HydrophobicContact CG-CE2 3.79Å; W28-T329 PolarHBondContact NE1-OG1 3.17Å; W28-S333 VanDerWaalsContact CH2-OG 3.28Å; W28-S333 WeakPolarHBondContact CH2-OG 3.43Å; W28-S333 WeakPolarHBondContact CZ2-OG 3.33Å
29Y87.1Confident88Confident58 Ų5839 Ų3923%0.22718%0.181CC..Hα-helixtrans-57.8-50.9177.3175.2-106000111.7A11 Q14 D25 V26 F27 I31 T32 L33A11-Y29 VanDerWaalsContact CB-OH 3.25Å; A11-Y29 WeakPolarHBondContact CB-OH 3.34Å; Q14-Y29 VanDerWaalsContact NE2-CD2 3.29Å; D25-Y29 PolarHBondContact O-N 3.15Å; V26-Y29 WeakPolarHBondContact O-CB 3.28Å; V26-Y29 PolarHBondContact O-N 3.29Å; F27-Y29 VanDerWaalsContact C-N 3.3Å; F27-Y29 PolarHBondContact O-N 2.87Å; Y29-I31 PolarHBondContact O-N 3.34Å; Y29-T32 PolarHBondContact O-N 3.18Å; Y29-T32 PolarHBondContact O-OG1 3.31Å; Y29-L33 PolarHBondContact O-N 3.27Å
30Y89.1Confident88.4Confident137 Ų13741.9 Ų41.954%0.53720%0.199SC..Hα-helixtrans-63.6-40.8178.5-69.6-64.4000112.9V26 F27 T32 L33 I34V26-Y30 HydrophobicContact CG1-CD2 4.02Å; V26-Y30 HydrophobicContact CG1-CE2 3.54Å; V26-Y30 WeakPolarHBondContact O-CD2 3.47Å; V26-Y30 PolarHBondContact O-N 3.2Å; F27-Y30 PolarHBondContact O-N 3.18Å; Y30-T32 PolarHBondContact O-N 3.11Å; Y30-L33 PolarHBondContact O-N 3.34Å; Y30-I34 WeakPolarHBondContact O-CG1 3.41Å; Y30-I34 PolarHBondContact O-N 3.45Å
31I91Very high88.7Confident7 Ų746 Ų464%0.03622%0.221CC..Hα-helixtrans-62-45.5175.6-69.5170.6000110.8F27 W28 Y29 L33 I34 M35 L322 L325 Y326F27-I31 HydrophobicContact CD1-CD1 3.51Å; F27-I31 HydrophobicContact CD1-CG1 4.44Å; F27-I31 HydrophobicContact CE1-CD1 3.18Å; F27-I31 HydrophobicContact CE1-CG1 4.23Å; F27-I31 HydrophobicContact CE2-CD1 4.38Å; F27-I31 HydrophobicContact CG-CD1 4.27Å; F27-I31 HydrophobicContact CZ-CD1 3.66Å; F27-I31 HydrophobicContact CZ-CG1 4.33Å; F27-I31 WeakPolarHBondContact O-CG1 3.24Å; F27-I31 PolarHBondContact O-N 3.17Å; W28-I31 PolarHBondContact O-N 3.12Å; Y29-I31 PolarHBondContact O-N 3.34Å; I31-L33 VanDerWaalsContact C-N 3.26Å; I31-L33 PolarHBondContact O-N 2.82Å; I31-I34 PolarHBondContact O-N 3.05Å; I31-M35 HydrophobicContact CG2-CG 4.06Å; I31-M35 HydrophobicContact CG2-SD 3.64Å; I31-M35 VanDerWaalsContact O-CG 3.26Å; I31-M35 WeakPolarHBondContact O-CG 3.42Å; I31-M35 PolarHBondContact O-N 3.5Å; I31-L322 HydrophobicContact CG2-CB 4.4Å; I31-L325 HydrophobicContact CD1-CB 4.13Å; I31-Y326 HydrophobicContact CB-CD2 4.32Å; I31-Y326 HydrophobicContact CG2-CD2 4.03Å
32T89.3Confident88.9Confident13 Ų1345 Ų458%0.0822%0.217CC..Hα-helixtrans-61.8-34.9178.354.90000112.5W28 Y29 Y30 M35 L36 F132 Y326W28-T32 WeakPolarHBondContact O-CG2 3.41Å; W28-T32 PolarHBondContact O-N 2.96Å; W28-T32 PolarHBondContact O-OG1 3.06Å; W28-T32 VanDerWaalsContact O-OG1 3.13Å; Y29-T32 PolarHBondContact O-N 3.18Å; Y29-T32 PolarHBondContact O-OG1 3.31Å; Y30-T32 PolarHBondContact O-N 3.11Å; T32-M35 PolarHBondContact O-N 3.19Å; T32-L36 VanDerWaalsContact O-CB 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 PolarHBondContact O-N 3.33Å; T32-F132 HydrophobicContact CG2-CB 3.9Å; T32-Y326 HydrophobicContact CG2-CD2 4.43Å; T32-Y326 HydrophobicContact CG2-CE2 3.82Å
33L87.6Confident89Confident78 Ų7845.5 Ų45.541%0.40822%0.221SC..Hα-helixtrans-66.6-42.6175.6-169.5146.8000111.6Y29 Y30 I31 L36 L37Y29-L33 PolarHBondContact O-N 3.27Å; Y30-L33 PolarHBondContact O-N 3.34Å; I31-L33 VanDerWaalsContact C-N 3.26Å; I31-L33 PolarHBondContact O-N 2.82Å; L33-L36 PolarHBondContact O-N 3Å; L33-L37 PolarHBondContact O-N 3.29Å
34I90.4Very high89Confident66 Ų6641 Ų4134%0.33821%0.213SC..Hα-helixtrans-66.4-44175.7-62.6167000110.6Y30 I31 L36 L37 V38 F318 L322Y30-I34 WeakPolarHBondContact O-CG1 3.41Å; Y30-I34 PolarHBondContact O-N 3.45Å; I31-I34 PolarHBondContact O-N 3.05Å; I34-L36 VanDerWaalsContact C-N 3.25Å; I34-L36 PolarHBondContact O-N 3.04Å; I34-L37 WeakPolarHBondContact O-CB 3.35Å; I34-L37 PolarHBondContact O-N 3.22Å; I34-V38 WeakPolarHBondContact O-CG2 3.06Å; I34-V38 PolarHBondContact O-N 3.11Å; I34-F318 HydrophobicContact CG2-CE1 4.01Å; I34-F318 HydrophobicContact CG2-CZ 4.14Å; I34-L322 HydrophobicContact CB-CD1 4.42Å; I34-L322 HydrophobicContact CG2-CD1 3.64Å; I34-L322 HydrophobicContact CG2-CD2 4.08Å
35M90.6Very high88.8Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-60.6-37.9176.8-67.1166.370.400111.5I31 T32 V38 A39 T129 F132 Y319 L322 V323I31-M35 HydrophobicContact CG2-CG 4.06Å; I31-M35 HydrophobicContact CG2-SD 3.64Å; I31-M35 VanDerWaalsContact O-CG 3.26Å; I31-M35 WeakPolarHBondContact O-CG 3.42Å; I31-M35 PolarHBondContact O-N 3.5Å; T32-M35 PolarHBondContact O-N 3.19Å; M35-V38 WeakPolarHBondContact O-CB 3.28Å; M35-V38 PolarHBondContact O-N 2.66Å; M35-A39 PolarHBondContact O-N 3.34Å; M35-T129 HydrophobicContact CB-CG2 3.33Å; M35-T129 HydrophobicContact CE-CG2 4.04Å; M35-T129 HydrophobicContact CG-CG2 4.48Å; M35-F132 HydrophobicContact CE-CD2 3.84Å; M35-F132 HydrophobicContact CE-CE2 3.93Å; M35-Y319 HydrophobicContact CB-CE2 4.38Å; M35-Y319 HydrophobicContact CE-CD2 4.3Å; M35-Y319 HydrophobicContact CE-CE2 3.37Å; M35-Y319 HydrophobicContact CG-CD2 4.37Å; M35-Y319 HydrophobicContact CG-CE2 4.28Å; M35-L322 HydrophobicContact CG-CB 3.93Å; M35-L322 HydrophobicContact CG-CD1 4Å; M35-V323 HydrophobicContact CE-CG2 3.7Å
36L89.4Confident88.8Confident22 Ų2243.2 Ų43.212%0.11522%0.224CC..Hα-helixtrans-68.2-39.3176.3-17763.7000112L7 T32 L33 I34 V38 A39 V40 L126L7-L36 HydrophobicContact CD1-CD2 3.53Å; L7-L36 HydrophobicContact CD1-CG 4.32Å; L7-L36 HydrophobicContact CD2-CD2 3.15Å; L7-L36 HydrophobicContact CG-CD2 3.75Å; T32-L36 VanDerWaalsContact O-CB 3.3Å; T32-L36 WeakPolarHBondContact O-CB 3.39Å; T32-L36 PolarHBondContact O-N 3.33Å; L33-L36 PolarHBondContact O-N 3Å; I34-L36 VanDerWaalsContact C-N 3.25Å; I34-L36 PolarHBondContact O-N 3.04Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 2.91Å; L36-A39 WeakPolarHBondContact O-CB 3.01Å; L36-A39 PolarHBondContact O-N 3.4Å; L36-V40 HydrophobicContact CD1-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.8Å; L36-L126 HydrophobicContact CD1-CD1 3.32Å
37L89.2Confident88.6Confident115 Ų11546.6 Ų46.660%0.60224%0.24SC*.Hα-helixtrans-59.1-43.4172.7-178.966.3000111.2L33 I34 A39 V40 L41L33-L37 PolarHBondContact O-N 3.29Å; I34-L37 WeakPolarHBondContact O-CB 3.35Å; I34-L37 PolarHBondContact O-N 3.22Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.1Å; L37-V40 PolarHBondContact O-N 2.98Å; L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 PolarHBondContact O-N 2.89Å
38V90.3Very high88.1Confident7 Ų747.5 Ų47.54%0.04225%0.252CS..Hα-helixtrans-60.4-44174.5173.90000110.9I34 M35 L36 L41 A42 L315 F318 L322I34-V38 WeakPolarHBondContact O-CG2 3.06Å; I34-V38 PolarHBondContact O-N 3.11Å; M35-V38 WeakPolarHBondContact O-CB 3.28Å; M35-V38 PolarHBondContact O-N 2.66Å; L36-V38 VanDerWaalsContact C-N 3.31Å; L36-V38 PolarHBondContact O-N 2.91Å; V38-L41 PolarHBondContact O-N 3.34Å; V38-A42 VanDerWaalsContact O-CB 3.23Å; V38-A42 WeakPolarHBondContact O-CB 3.41Å; V38-A42 PolarHBondContact O-N 3.04Å; V38-L315 HydrophobicContact CG1-CB 4.47Å; V38-L315 HydrophobicContact CG1-CD2 4.37Å; V38-F318 HydrophobicContact CG2-CD1 3.64Å; V38-F318 HydrophobicContact CG2-CE1 3.66Å; V38-L322 HydrophobicContact CG2-CD1 4.33Å
39A90.3Very high87.3Confident4 Ų450.5 Ų50.53%0.03327%0.266CS..Hα-helixtrans-60.7-48.217800000112.2M35 L36 L37 A42 G43 V125 L126M35-A39 PolarHBondContact O-N 3.34Å; L36-A39 WeakPolarHBondContact O-CB 3.01Å; L36-A39 PolarHBondContact O-N 3.4Å; L37-A39 VanDerWaalsContact C-N 3.34Å; L37-A39 PolarHBondContact O-N 3.1Å; A39-A42 PolarHBondContact O-N 3.45Å; A39-G43 PolarHBondContact O-N 3.21Å; A39-V125 HydrophobicContact CB-CB 4.11Å; A39-V125 HydrophobicContact CB-CG1 3.63Å; A39-L126 HydrophobicContact CB-CB 4.01Å; A39-L126 HydrophobicContact CB-CD1 4.45Å
40V88.9Confident85.7Confident71 Ų7153.4 Ų53.443%0.4330%0.295SS..Hα-helixtrans-67.3-42.5-178.9173.40000110.8L36 L37 G43 A44L36-V40 HydrophobicContact CD1-CG2 4.42Å; L36-V40 WeakPolarHBondContact O-CG2 3.48Å; L36-V40 PolarHBondContact O-N 2.8Å; L37-V40 PolarHBondContact O-N 2.98Å; V40-G43 PolarHBondContact O-N 3.21Å; V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.44Å; V40-A44 PolarHBondContact O-N 2.76Å
41L89.5Confident84.6Confident87 Ų8752.8 Ų52.846%0.45529%0.292SS..Hα-helixtrans-61.9-47.9176178.763000111.3L37 V38 G43 A44 L45 L315L37-L41 VanDerWaalsContact O-CB 3.25Å; L37-L41 WeakPolarHBondContact O-CB 3.45Å; L37-L41 PolarHBondContact O-N 2.89Å; V38-L41 PolarHBondContact O-N 3.34Å; L41-G43 VanDerWaalsContact C-N 3.32Å; L41-G43 PolarHBondContact O-N 3.38Å; L41-A44 PolarHBondContact O-N 3.17Å; L41-L45 HydrophobicContact CD1-CD1 4.31Å; L41-L45 HydrophobicContact CD1-CG 4.48Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 WeakPolarHBondContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 3.03Å; L41-L315 HydrophobicContact CD2-CD2 4.15Å
42A87.6Confident83.6Confident0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-63.5-39.3178.700000111.5V38 A39 L45 Q46 F121 P122 L315V38-A42 VanDerWaalsContact O-CB 3.23Å; V38-A42 WeakPolarHBondContact O-CB 3.41Å; V38-A42 PolarHBondContact O-N 3.04Å; A39-A42 PolarHBondContact O-N 3.45Å; A42-L45 PolarHBondContact O-N 3.01Å; A42-Q46 WeakPolarHBondContact O-CB 3.37Å; A42-Q46 PolarHBondContact O-N 3.26Å; A42-F121 HydrophobicContact CB-CE1 4.31Å; A42-P122 HydrophobicContact CB-CB 3.84Å; A42-P122 HydrophobicContact CB-CG 3.68Å; A42-L315 HydrophobicContact CB-CD1 4.01Å
43G88.1Confident83Confident11 Ų1153.1 Ų53.111%0.11329%0.294CS..Hα-helixtrans-68.6-39.5176.800000112.8A39 V40 L41 Q46 L47A39-G43 PolarHBondContact O-N 3.21Å; V40-G43 PolarHBondContact O-N 3.21Å; L41-G43 VanDerWaalsContact C-N 3.32Å; L41-G43 PolarHBondContact O-N 3.38Å; G43-Q46 PolarHBondContact O-N 3.35Å; G43-L47 WeakPolarHBondContact O-CB 3.37Å; G43-L47 WeakPolarHBondContact O-CG 3.42Å; G43-L47 PolarHBondContact O-N 2.8Å
44A87.2Confident82.7Confident40 Ų4052.4 Ų52.433%0.33130%0.295SS..Hα-helixtrans-64.6-44.2174.400000111.5V40 L41 Q46 L47 T48V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.44Å; V40-A44 PolarHBondContact O-N 2.76Å; L41-A44 PolarHBondContact O-N 3.17Å; A44-Q46 VanDerWaalsContact C-N 3.29Å; A44-Q46 PolarHBondContact O-N 3.4Å; A44-L47 PolarHBondContact O-N 2.82Å; A44-T48 VanDerWaalsContact O-CB 3.3Å; A44-T48 WeakPolarHBondContact O-CB 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.45Å; A44-T48 PolarHBondContact O-N 2.95Å; A44-T48 PolarHBondContact O-OG1 3.47Å
45L86.3Confident82.3Confident43 Ų4349.4 Ų49.423%0.22528%0.279CS..Hα-helixtrans-59.5-40.9174.4-74.2167.5000111.7L41 A42 T48 Q49 L308 I311 L315L41-L45 HydrophobicContact CD1-CD1 4.31Å; L41-L45 HydrophobicContact CD1-CG 4.48Å; L41-L45 HydrophobicContact CG-CD1 4.14Å; L41-L45 WeakPolarHBondContact O-CB 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.39Å; L41-L45 PolarHBondContact O-N 3.03Å; A42-L45 PolarHBondContact O-N 3.01Å; L45-T48 PolarHBondContact O-OG1 3.26Å; L45-Q49 WeakPolarHBondContact O-CG 3.41Å; L45-Q49 PolarHBondContact O-N 3.37Å; L45-L308 HydrophobicContact CB-CD2 4.39Å; L45-I311 HydrophobicContact CD1-CG2 3.99Å; L45-L315 HydrophobicContact CD1-CD1 4.06Å
46Q85.3Confident82.1Confident21 Ų2154.4 Ų54.410%0.09831%0.306CS..Hα-helixtrans-66-40.4177.7-165.7175.6-24.200113.1A42 G43 A44 K119 P122 F312A42-Q46 WeakPolarHBondContact O-CB 3.37Å; A42-Q46 PolarHBondContact O-N 3.26Å; G43-Q46 PolarHBondContact O-N 3.35Å; A44-Q46 VanDerWaalsContact C-N 3.29Å; A44-Q46 PolarHBondContact O-N 3.4Å; Q46-K119 PolarHBondContact NE2-O 3.38Å; Q46-K119 PolarHBondContact OE1-O 3.17Å; Q46-P122 VanDerWaalsContact OE1-CD 3.24Å; Q46-P122 VanDerWaalsContact OE1-CG 3.23Å; Q46-F312 HydrophobicContact CB-CZ 4.13Å; Q46-F312 HydrophobicContact CG-CZ 4.5Å
47L84Confident81.8Confident115 Ų11553.9 Ų53.960%0.60230%0.304SS*.Hα-helixtrans-82-27.5-176.4-70.3171.8000113.5G43 A44G43-L47 WeakPolarHBondContact O-CB 3.37Å; G43-L47 WeakPolarHBondContact O-CG 3.42Å; G43-L47 PolarHBondContact O-N 2.8Å; A44-L47 PolarHBondContact O-N 2.82Å
48T79.5Confident81.3Confident101 Ų10149.2 Ų49.262%0.6228%0.28SS*.Hα-helixtrans-85.6-28.5-175.752.10000113.3A44 L45 S50A44-T48 VanDerWaalsContact O-CB 3.3Å; A44-T48 WeakPolarHBondContact O-CB 3.28Å; A44-T48 WeakPolarHBondContact O-CG2 3.45Å; A44-T48 PolarHBondContact O-N 2.95Å; A44-T48 PolarHBondContact O-OG1 3.47Å; L45-T48 PolarHBondContact O-OG1 3.26Å; T48-S50 PolarHBondContact O-N 3.28Å; T48-S50 VanDerWaalsContact O-N 3.14Å
49Q72.6Confident80.4Confident64 Ų6454.4 Ų54.430%0.29930%0.303SS..  trans-74.8107.2178-69.8-162.71.200110.6L45 R51 V52 S307 L308L45-Q49 WeakPolarHBondContact O-CG 3.41Å; L45-Q49 PolarHBondContact O-N 3.37Å; Q49-R51 PolarHBondContact O-N 3.39Å; Q49-V52 HydrophobicContact CB-CG2 4.4Å; Q49-V52 WeakPolarHBondContact O-CG2 3.1Å; Q49-S307 PolarHBondContact OE1-OG 2.89Å; Q49-S307 VanDerWaalsContact OE1-OG 3.06Å; Q49-L308 VanDerWaalsContact CD-CD2 3.42Å; Q49-L308 HydrophobicContact CG-CD2 4.42Å; Q49-L308 VanDerWaalsContact OE1-CD2 3.27Å; Q49-L308 VanDerWaalsContact OE1-CG 3.25Å
50S54.7Low79.3Confident119 Ų11956.7 Ų56.783%0.83232%0.316SS*.SBendtrans-67.6-14.418055.20000114.3T48T48-S50 PolarHBondContact O-N 3.28Å; T48-S50 VanDerWaalsContact O-N 3.14Å
51R64.6Low78.1Confident125 Ų12557.4 Ų57.447%0.47231%0.314SS..  trans-136.687.3177.5-68.8-177.7177.7-176.1-10.2109.7Q49 R99Q49-R51 PolarHBondContact O-N 3.39Å; R51-R99 VanDerWaalsContact NH2-NH2 3.15Å
52V70Confident76.5Confident21 Ų2160.1 Ų60.113%0.12732%0.323CS..SBendtrans-77.2-30.9-179.1-179.60000111.5Q49 Y110 Y306 S307 L308Q49-V52 HydrophobicContact CB-CG2 4.4Å; Q49-V52 WeakPolarHBondContact O-CG2 3.1Å; V52-Y110 HydrophobicContact CB-CD2 4.42Å; V52-Y110 HydrophobicContact CB-CE2 4.14Å; V52-Y110 HydrophobicContact CG1-CD2 4.18Å; V52-Y110 HydrophobicContact CG1-CE2 3.64Å; V52-Y306 HydrophobicContact CG1-CD2 3.87Å; V52-Y306 HydrophobicContact CG1-CE2 3.42Å; V52-Y306 VanDerWaalsContact CG1-CE2 3.42Å; V52-Y306 WeakPolarHBondContact O-CD2 3.29Å; V52-S307 PolarHBondContact O-N 2.84Å; V52-L308 HydrophobicContact CG1-CD1 4.16Å
53L78.1Confident75Confident6 Ų667.1 Ų67.13%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-131.4134.1-179.6-161.871.2000109.1C55 D106 C109 Y110 I287 C304L53-C55 WeakPolarHBondContact CD2-SG 3.25Å; L53-D106 VanDerWaalsContact O-CG 3.29Å; L53-C109 HydrophobicContact CD2-CB 3.75Å; L53-Y110 HydrophobicContact CB-CD2 4.46Å; L53-I287 HydrophobicContact CD1-CD1 4.2Å; L53-C304 HydrophobicContact CD1-CB 3.8Å; L53-C304 HydrophobicContact CD2-CB 3.97Å; L53-C304 HydrophobicContact CG-CB 3.81Å
54C79.6Confident73.7Confident63 Ų6371.8 Ų71.843%0.42638%0.382SS..EExtended strand (participates in β ladder)trans-117.7109.2173.4-72.90000108.7C304 V305C54-C304 CarbonylContact O-C 3.56Å; C54-C304 VanDerWaalsContact O-CA 3.29Å; C54-C304 WeakPolarHBondContact O-CA 3.16Å; C54-V305 PolarHBondContact N-O 2.81Å; C54-V305 VanDerWaalsContact N-O 3.11Å; C54-V305 PolarHBondContact O-N 3.14Å
55C83.7Confident72.6Confident2 Ų275.7 Ų75.71%0.01439%0.394CS..EExtended strand (participates in β ladder)trans-106.5131.3-177.4-63.70000111.6L53 I105 D106 C109 Q303 C304L53-C55 WeakPolarHBondContact CD2-SG 3.25Å; C55-I105 HydrophobicContact CB-CG2 3.77Å; C55-D106 WeakPolarHBondContact CB-OD1 3.36Å; C55-D106 PolarHBondContact N-OD1 2.97Å; C55-C109 WeakPolarHBondContact SG-CB 3.45Å; C55-Q303 WeakPolarHBondContact CA-O 3.2Å; C55-C304 HydrophobicContact CB-CB 4.14Å; C55-C304 WeakPolarHBondContact CB-SG 3.37Å; C55-C304 WeakPolarHBondContact SG-CB 3.3Å; C55-C304 CovalentContact SG-SG 2.04Å; C55-C304 PolarHBondContact SG-SG 2.95Å
56L85.1Confident71.8Confident105 Ų10574.9 Ų74.955%0.5539%0.391SS..EExtended strand (participates in β ladder)trans-117.5136175.9-67.1171.4000110Y102 Y302 Q303L56-Y102 HydrophobicContact CD2-CE1 3.99Å; L56-Y302 CarbonylContact O-C 3.51Å; L56-Y302 VanDerWaalsContact O-CA 3.23Å; L56-Y302 WeakPolarHBondContact O-CA 3.41Å; L56-Q303 PolarHBondContact N-O 3.27Å; L56-Q303 PolarHBondContact O-N 3.4Å
57P83.5Confident70.6Confident11 Ų1174.9 Ų74.97%0.07140%0.395CS..EExtended strand (participates in β ladder)trans-68.5142.5176.828.8-35.2000111.1N95 L97 Y299 Y302P57-N95 HydrophobicContact CG-CB 4.12Å; P57-L97 HydrophobicContact CB-CD1 4.48Å; P57-L97 HydrophobicContact CG-CD1 3.87Å; P57-Y299 HydrophobicContact CB-CD1 3.66Å; P57-Y299 HydrophobicContact CB-CD2 3.52Å; P57-Y299 HydrophobicContact CB-CE1 4.02Å; P57-Y299 HydrophobicContact CB-CE2 3.92Å; P57-Y299 HydrophobicContact CB-CG 3.4Å; P57-Y299 HydrophobicContact CG-CD2 4.15Å; P57-Y299 HydrophobicContact CG-CE2 4.1Å; P57-Y299 HydrophobicContact CG-CG 4.44Å; P57-Y302 VanDerWaalsContact CA-CD1 3.49Å; P57-Y302 HydrophobicContact CB-CD1 3.89Å; P57-Y302 HydrophobicContact CB-CE1 3.78Å
58C79.6Confident69.4Low17 Ų1772.8 Ų72.812%0.11539%0.387CS..  trans-95.5129.2175.7-570000110.8C66 R301C58-C66 HydrophobicContact CB-CB 3.72Å; C58-C66 WeakPolarHBondContact CB-SG 3.37Å; C58-C66 WeakPolarHBondContact SG-CB 3.36Å; C58-C66 CovalentContact SG-SG 2.01Å; C58-C66 PolarHBondContact SG-SG 3.46Å; C58-R301 PolarHBondContact N-O 2.95Å
59K69.9Low68.2Low117 Ų11770.9 Ų70.951%0.50938%0.376SS..SBendtrans-90.6-26.4176.2-76.2-171178.2-164.40113.8I93 Q94 N95 Y299K59-I93 HydrophobicContact CD-CG2 4.11Å; K59-Q94 PolarHBondContact NZ-O 2.99Å; K59-N95 VanDerWaalsContact CE-OD1 3.26Å; K59-N95 WeakPolarHBondContact CE-OD1 3.14Å; K59-Y299 WeakPolarHBondContact CE-OH 3.28Å; K59-Y299 HydrophobicContact CG-CE1 3.87Å
60V67.4Low67.1Low51 Ų5174.8 Ų74.831%0.30939%0.388SS..  trans-122.5117.3-176.1-1730000108.7A67 I72V60-A67 PolarHBondContact O-N 3.23Å; V60-A67 VanDerWaalsContact O-N 3.1Å; V60-I72 HydrophobicContact CG1-CD1 3.74Å
61E63.2Low67Low86 Ų8673.6 Ų73.640%0.40237%0.373SS..EExtended strand (participates in β ladder)trans-103.6126.4175.9-61.6-172.6179.600108.5R301E61-R301 IonicContact OE2-CZ 2.73Å; E61-R301 IonicContact OE2-NH1 2.8Å; E61-R301 PolarHBondContact OE2-NH1 3.01Å
62F57.3Low66.3Low145 Ų14571.2 Ų71.264%0.63637%0.368SS*.EExtended strand (participates in β ladder)trans-131.1122.3173.1-134.4-87.7000108.1N64 H65 A67F62-N64 PolarHBondContact O-N 3.27Å; F62-H65 PolarHBondContact N-O 3.13Å; F62-H65 PolarHBondContact O-N 2.9Å; F62-H65 VanDerWaalsContact O-O 3.07Å; F62-A67 HydrophobicContact CB-CB 3.91Å
63D55.4Low65.2Low147 Ų14773.6 Ų73.679%0.78638%0.38SS*.THydrogen-bonded Turntrans48.452.1176.6-137.214.4000114.3H65D63-H65 PolarHBondContact O-N 3.21Å; D63-H65 VanDerWaalsContact O-N 3.12Å; D63-H65 PolarHBondContact O-ND1 3.3Å
64N61.4Low63.8Low108 Ų10880.4 Ų80.458%0.57841%0.41SS*.THydrogen-bonded Turntrans62.59.2-178.1-71.6-36.8000117.2F62 R301F62-N64 PolarHBondContact O-N 3.27Å; N64-R301 PolarHBondContact O-NH2 3.39Å; N64-R301 PolarHBondContact OD1-NH2 3.27Å
65H64.4Low62.2Low123 Ų12380.7 Ų80.757%0.56942%0.416SS*.EExtended strand (participates in β ladder)trans-118.4154.3174.3-6479.1000111.3F62 D63 A67F62-H65 PolarHBondContact N-O 3.13Å; F62-H65 PolarHBondContact O-N 2.9Å; F62-H65 VanDerWaalsContact O-O 3.07Å; D63-H65 PolarHBondContact O-N 3.21Å; D63-H65 VanDerWaalsContact O-N 3.12Å; D63-H65 PolarHBondContact O-ND1 3.3Å; H65-A67 PolarHBondContact O-N 3.2Å
66C68.2Low60.4Low25 Ų2583.4 Ų83.417%0.16944%0.435CS..EExtended strand (participates in β ladder)trans-70.7117.3169.3-66.20000110.1C58C58-C66 HydrophobicContact CB-CB 3.72Å; C58-C66 WeakPolarHBondContact CB-SG 3.37Å; C58-C66 WeakPolarHBondContact SG-CB 3.36Å; C58-C66 CovalentContact SG-SG 2.01Å; C58-C66 PolarHBondContact SG-SG 3.46Å
67A59.9Low58.4Low22 Ų2285.1 Ų85.118%0.18244%0.442CS..PPolyproline II helixtrans-94.7127.4174.500000110.1V60 F62 H65V60-A67 PolarHBondContact O-N 3.23Å; V60-A67 VanDerWaalsContact O-N 3.1Å; F62-A67 HydrophobicContact CB-CB 3.91Å; H65-A67 PolarHBondContact O-N 3.2Å
68V59.8Low56.6Low70 Ų7091.8 Ų91.842%0.42448%0.477SS..PPolyproline II helixtrans-73.8134169.7-167.30000107.3W70 D71V68-W70 PolarHBondContact O-N 3.22Å; V68-D71 PolarHBondContact O-N 2.95Å
69P53.1Low55.1Low61 Ų6196.7 Ų96.740%0.39651%0.507SS..Hα-helixtrans-53.6-20.4-175.8-29.134.5000115.8L73P69-L73 PolarHBondContact O-N 3.25Å
70W51.1Low53.7Low146 Ų14695.7 Ų95.755%0.55351%0.514SS*.Hα-helixtrans-70.8-27.8176-80.399.4000114.5V68 I72 L73 K74V68-W70 PolarHBondContact O-N 3.22Å; W70-I72 VanDerWaalsContact C-N 3.32Å; W70-L73 HydrophobicContact CE3-CD1 4.49Å; W70-L73 PolarHBondContact O-N 3.36Å; W70-K74 PolarHBondContact O-N 3.01Å
71D51.2Low52.4Low95 Ų9598.7 Ų98.751%0.50854%0.538SS..Hα-helixtrans-73.5-29.2177.3-67.8-36000111.5V68 K74 A75V68-D71 PolarHBondContact O-N 2.95Å; D71-K74 PolarHBondContact O-N 3.46Å; D71-A75 WeakPolarHBondContact O-CB 3.43Å; D71-A75 PolarHBondContact O-N 3.44Å
72I49.5Very low51.4Low74 Ų74101.6 Ų101.638%0.37956%0.556SS.*Hα-helixtrans-69.2-37.6171.8-58.4170.8000110.3V60 W70 A75 S76V60-I72 HydrophobicContact CG1-CD1 3.74Å; W70-I72 VanDerWaalsContact C-N 3.32Å; I72-A75 PolarHBondContact O-N 3.12Å; I72-S76 WeakPolarHBondContact O-CB 3.39Å; I72-S76 PolarHBondContact O-N 3.01Å; I72-S76 PolarHBondContact O-OG 3.48Å
73L48.3Very low50.9Low72 Ų72101.2 Ų101.238%0.37757%0.568SS.*Hα-helixtrans-67.1-41.5174.2-99.5149.3000112.4P69 W70 S76 M77P69-L73 PolarHBondContact O-N 3.25Å; W70-L73 HydrophobicContact CE3-CD1 4.49Å; W70-L73 PolarHBondContact O-N 3.36Å; L73-S76 WeakPolarHBondContact CA-OG 3.22Å; L73-S76 PolarHBondContact O-N 3.18Å; L73-S76 PolarHBondContact O-OG 3.12Å; L73-M77 PolarHBondContact O-N 3.41Å
74K48.3Very low50.6Low149 Ų14997.8 Ų97.865%0.64857%0.567SS**Hα-helixtrans-64.9-39.5173.3-90179.1179172.10112.9W70 D71 S76 M77W70-K74 PolarHBondContact O-N 3.01Å; D71-K74 PolarHBondContact O-N 3.46Å; K74-S76 VanDerWaalsContact C-N 3.31Å; K74-S76 PolarHBondContact O-N 3.43Å; K74-M77 PolarHBondContact O-N 2.95Å
75A45.2Very low49.7Very low69 Ų6998.6 Ų98.657%0.5758%0.577SS**Hα-helixtrans-64.6-36.8174.100000111.8D71 I72D71-A75 WeakPolarHBondContact O-CB 3.43Å; D71-A75 PolarHBondContact O-N 3.44Å; I72-A75 PolarHBondContact O-N 3.12Å
76S46.3Very low48.9Very low58 Ų5898.5 Ų98.541%0.40659%0.587SS.*Hα-helixtrans-74-27.7175.874.50000114I72 L73 K74 N78 T79I72-S76 WeakPolarHBondContact O-CB 3.39Å; I72-S76 PolarHBondContact O-N 3.01Å; I72-S76 PolarHBondContact O-OG 3.48Å; L73-S76 WeakPolarHBondContact CA-OG 3.22Å; L73-S76 PolarHBondContact O-N 3.18Å; L73-S76 PolarHBondContact O-OG 3.12Å; K74-S76 VanDerWaalsContact C-N 3.31Å; K74-S76 PolarHBondContact O-N 3.43Å; S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 3.19Å; S76-T79 PolarHBondContact O-N 3.41Å; S76-T79 PolarHBondContact O-OG1 3.28Å
77M42.7Very low47.9Very low141 Ų141104.6 Ų104.670%0.69562%0.617SS**Hα-helixtrans-70.6-18.7178-90.8179.9155.500114.1L73 K74 T79L73-M77 PolarHBondContact O-N 3.41Å; K74-M77 PolarHBondContact O-N 2.95Å; M77-T79 PolarHBondContact O-N 3.31Å
78N45.9Very low47.8Very low151 Ų151107.3 Ų107.381%0.80763%0.633SS**THydrogen-bonded Turntrans-76.6-0.9173.5-79.1-8.3000113.5S76S76-N78 VanDerWaalsContact C-N 3.29Å; S76-N78 PolarHBondContact O-N 3.19Å
79T48.3Very low47.5Very low120 Ų120111.3 Ų111.374%0.73665%0.651SS**THydrogen-bonded Turntrans-134.140.9179.741.20000113.7S76 M77S76-T79 PolarHBondContact O-N 3.41Å; S76-T79 PolarHBondContact O-OG1 3.28Å; M77-T79 PolarHBondContact O-N 3.31Å
80S40.2Very low47.7Very low96 Ų96113.9 Ų113.967%0.67167%0.667SS**  trans-171.6111.8150.155.70000111.5N82S80-N82 PolarHBondContact O-N 3.06Å
81S40.3Very low48.1Very low114 Ų114114.5 Ų114.580%0.79768%0.681SS**  trans-72.9109.5165.352.70000110.1
82N42.5Very low48.7Very low148 Ų148120.3 Ų120.379%0.79170%0.696SS**  trans-155.4120.5155.7-96.2-21.1000110S80 G84S80-N82 PolarHBondContact O-N 3.06Å; N82-G84 PolarHBondContact O-N 3.33Å
83P46.5Very low49.7Very low136 Ų136121.7 Ų121.788%0.88370%0.703SS**  trans-88.6109179.333.3-26.9000109.1
84G49.1Very low51Low75 Ų75124.2 Ų124.277%0.77371%0.713SS**  trans149.354.9174.700000115.1N82N82-G84 PolarHBondContact O-N 3.33Å
85T44.1Very low52.2Low126 Ų126118.4 Ų118.477%0.77369%0.689SS**  trans-137.2137.7160.739.30000109.2
86P46.8Very low53.9Low121 Ų121122.2 Ų122.279%0.78670%0.7SS**PPolyproline II helixtrans-65.5139.9177.426.6-31.2000109.7
87L47.6Very low55.7Low153 Ų153120.9 Ų120.980%0.80169%0.688SS**PPolyproline II helixtrans-50.5131.7174.1-77101.5000110L89L87-L89 PolarHBondContact O-N 2.98Å
88P56.5Low57.8Low79 Ų79120.6 Ų120.651%0.51368%0.684SS.*PPolyproline II helixtrans-63.8131.817424.7-30000109.6
89L54.2Low59.8Low153 Ų153121.9 Ų121.980%0.80168%0.678SS**PPolyproline II helixtrans-52.9148170.6-78.6118.9000110.4L87 L91L87-L89 PolarHBondContact O-N 2.98Å; L89-L91 PolarHBondContact O-N 2.76Å
90P56.8Low61.6Low115 Ų115122.9 Ų122.975%0.74767%0.674SS**  trans-58.4114.2-178.823.5-32.7000110.7R92P90-R92 PolarHBondContact O-N 3.47Å; P90-R92 VanDerWaalsContact O-N 3.15Å
91L59.3Low63.7Low160 Ų160120.5 Ų120.584%0.83865%0.653SS**  trans-64.9110171.9-88.6137.6000109L89 I93L89-L91 PolarHBondContact O-N 2.76Å; L91-I93 PolarHBondContact O-N 2.94Å
92R63.7Low65.9Low217 Ų217117.4 Ų117.482%0.81962%0.624SS**PPolyproline II helixtrans-68.2117.6170.4-175.9179.2-178.1-177.51.1108.9P90P90-R92 PolarHBondContact O-N 3.47Å; P90-R92 VanDerWaalsContact O-N 3.15Å
93I70.9Confident68Low103 Ų103112.8 Ų112.853%0.52860%0.603SS.*PPolyproline II helixtrans-81.4120.4176.1-53.1176.5000108.9K59 L91 N95K59-I93 HydrophobicContact CD-CG2 4.11Å; L91-I93 PolarHBondContact O-N 2.94Å; I93-N95 VanDerWaalsContact CG2-OD1 3.24Å; I93-N95 WeakPolarHBondContact CG2-OD1 3.29Å
94Q75.6Confident70Confident124 Ų124111.5 Ų111.558%0.57958%0.581SS**PPolyproline II helixtrans-102.3120.6171.1-70.4-179.9-22.800109.4K59K59-Q94 PolarHBondContact NZ-O 2.99Å
95N74.7Confident71.8Confident28 Ų28108 Ų10815%0.1555%0.545CS..  trans-101.8-2.8-173.1-70.6-19.7000114.2P57 K59 I93 L97 Y102 Y299P57-N95 HydrophobicContact CG-CB 4.12Å; K59-N95 VanDerWaalsContact CE-OD1 3.26Å; K59-N95 WeakPolarHBondContact CE-OD1 3.14Å; I93-N95 VanDerWaalsContact CG2-OD1 3.24Å; I93-N95 WeakPolarHBondContact CG2-OD1 3.29Å; N95-L97 PolarHBondContact O-N 3.05Å; N95-L97 VanDerWaalsContact O-N 3.07Å; N95-Y102 WeakPolarHBondContact CB-OH 3.17Å; N95-Y102 PolarHBondContact ND2-OH 2.88Å; N95-Y299 PolarHBondContact O-OH 2.95Å
96D80.4Confident73.9Confident149 Ų149103.2 Ų103.280%0.79751%0.514SS*.  trans50.729.6178.4-54.9-29.3000115.9
97L84.4Confident75.8Confident30 Ų30100.1 Ų100.116%0.15750%0.499CS..  trans-104.6139.8176.5-73.4177.8000111.9P57 N95 Q101 Y102 I105 T297 Y299P57-L97 HydrophobicContact CB-CD1 4.48Å; P57-L97 HydrophobicContact CG-CD1 3.87Å; N95-L97 PolarHBondContact O-N 3.05Å; N95-L97 VanDerWaalsContact O-N 3.07Å; L97-Q101 HydrophobicContact CD2-CB 4.45Å; L97-Y102 HydrophobicContact CB-CD2 4.06Å; L97-Y102 HydrophobicContact CB-CE2 3.42Å; L97-Y102 VanDerWaalsContact CB-CE2 3.42Å; L97-Y102 HydrophobicContact CD1-CE1 4.28Å; L97-Y102 HydrophobicContact CD1-CE2 4.32Å; L97-I105 HydrophobicContact CD1-CD1 4.15Å; L97-T297 WeakPolarHBondContact CD2-O 3.36Å; L97-Y299 HydrophobicContact CD1-CD2 4.15Å; L97-Y299 HydrophobicContact CD1-CE2 4.09Å; L97-Y299 HydrophobicContact CG-CE2 4.26Å
98H87Confident77.7Confident135 Ų13594.1 Ų94.163%0.62547%0.469SS*.  trans-76.1150.5174.3-165.7-105.2000111.3Q100 Q101 Y102H98-Q100 PolarHBondContact ND1-N 3.04Å; H98-Q100 PolarHBondContact O-N 2.67Å; H98-Q100 VanDerWaalsContact O-N 3.12Å; H98-Q101 HydrophobicContact CB-CG 4.49Å; H98-Q101 WeakPolarHBondContact O-CB 3.31Å; H98-Q101 PolarHBondContact O-N 3.37Å; H98-Y102 WeakPolarHBondContact O-CD2 3.33Å; H98-Y102 PolarHBondContact O-N 3.46Å
99R85.9Confident79.2Confident177 Ų17790.4 Ų90.467%0.66845%0.445SS*.Hα-helixtrans-55.2-35.2-179-176.7174.9176.1173.61.6113.4R51 Q101 Y102 S103R51-R99 VanDerWaalsContact NH2-NH2 3.15Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 3.47Å; R99-Y102 PolarHBondContact O-N 2.91Å; R99-S103 PolarHBondContact O-N 3.04Å; R99-S103 PolarHBondContact O-OG 2.97Å
100Q86.2Confident80.8Confident141 Ų14185.7 Ų85.766%0.65942%0.417SS*.Hα-helixtrans-66.5-33.7177.7-166.167.29.500112.4H98 S103 Y104H98-Q100 PolarHBondContact ND1-N 3.04Å; H98-Q100 PolarHBondContact O-N 2.67Å; H98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-S103 PolarHBondContact O-N 2.93Å; Q100-Y104 PolarHBondContact O-N 3.43Å
101Q86.2Confident82.3Confident47 Ų4786.1 Ų86.122%0.2241%0.409CS..Hα-helixtrans-70-37.5177.1-68171.5-5000111L97 H98 R99 Y104 I105 F296L97-Q101 HydrophobicContact CD2-CB 4.45Å; H98-Q101 HydrophobicContact CB-CG 4.49Å; H98-Q101 WeakPolarHBondContact O-CB 3.31Å; H98-Q101 PolarHBondContact O-N 3.37Å; R99-Q101 VanDerWaalsContact C-N 3.32Å; R99-Q101 PolarHBondContact O-N 3.47Å; Q101-Y104 WeakPolarHBondContact O-CB 3.46Å; Q101-Y104 PolarHBondContact O-N 3.06Å; Q101-I105 WeakPolarHBondContact O-CD1 3.45Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.42Å; Q101-I105 PolarHBondContact O-N 2.99Å; Q101-F296 HydrophobicContact CG-CE1 4Å; Q101-F296 HydrophobicContact CG-CZ 4.48Å; Q101-F296 PolarHBondContact NE2-O 2.65Å
102Y86.5Confident83.6Confident49 Ų4986 Ų8619%0.19240%0.401CS..Hα-helixtrans-58.6-47.3170.8-77.3-79.2000111.8L56 N95 L97 H98 R99 Y104 I105 D106L56-Y102 HydrophobicContact CD2-CE1 3.99Å; N95-Y102 WeakPolarHBondContact CB-OH 3.17Å; N95-Y102 PolarHBondContact ND2-OH 2.88Å; L97-Y102 HydrophobicContact CB-CD2 4.06Å; L97-Y102 HydrophobicContact CB-CE2 3.42Å; L97-Y102 VanDerWaalsContact CB-CE2 3.42Å; L97-Y102 HydrophobicContact CD1-CE1 4.28Å; L97-Y102 HydrophobicContact CD1-CE2 4.32Å; H98-Y102 WeakPolarHBondContact O-CD2 3.33Å; H98-Y102 PolarHBondContact O-N 3.46Å; R99-Y102 PolarHBondContact O-N 2.91Å; Y102-Y104 VanDerWaalsContact C-N 3.26Å; Y102-Y104 PolarHBondContact O-N 2.89Å; Y102-I105 PolarHBondContact O-N 2.9Å; Y102-I105 VanDerWaalsContact O-N 3.15Å; Y102-D106 PolarHBondContact O-N 3.05Å
103S86.7Confident84.6Confident50 Ų5079.2 Ų79.235%0.3538%0.379SS..Hα-helixtrans-63.5-30.8177.2-61.60000113.5R99 Q100 A107R99-S103 PolarHBondContact O-N 3.04Å; R99-S103 PolarHBondContact O-OG 2.97Å; Q100-S103 PolarHBondContact O-N 2.93Å; S103-A107 PolarHBondContact O-N 2.9Å
104Y87.6Confident85.3Confident109 Ų10974.9 Ų74.943%0.42736%0.357SS..Hα-helixtrans-68.5-45.9171.6175.6-101000112Q100 Q101 Y102 D106 A107 V108 V293 F296Q100-Y104 PolarHBondContact O-N 3.43Å; Q101-Y104 WeakPolarHBondContact O-CB 3.46Å; Q101-Y104 PolarHBondContact O-N 3.06Å; Y102-Y104 VanDerWaalsContact C-N 3.26Å; Y102-Y104 PolarHBondContact O-N 2.89Å; Y104-D106 PolarHBondContact O-N 2.93Å; Y104-A107 PolarHBondContact O-N 2.95Å; Y104-V108 HydrophobicContact CD1-CG2 4.27Å; Y104-V108 HydrophobicContact CD2-CG2 4.3Å; Y104-V108 HydrophobicContact CE1-CG2 3.85Å; Y104-V108 HydrophobicContact CE2-CG2 3.88Å; Y104-V108 HydrophobicContact CG-CG2 4.49Å; Y104-V108 WeakPolarHBondContact O-CG2 3.36Å; Y104-V108 PolarHBondContact O-N 3.34Å; Y104-V293 HydrophobicContact CE1-CG1 4.08Å; Y104-F296 AromaticContact CD1-CD1 3.87Å; Y104-F296 HydrophobicContact CD1-CD1 3.87Å; Y104-F296 AromaticContact CD1-CE1 3.94Å; Y104-F296 HydrophobicContact CD1-CE1 3.94Å; Y104-F296 AromaticContact CE1-CD1 3.96Å; Y104-F296 HydrophobicContact CE1-CD1 3.96Å; Y104-F296 HydrophobicContact CE1-CE1 4.35Å; Y104-F296 HydrophobicContact CG-CE1 4.3Å
105I87.4Confident85.9Confident2 Ų271.3 Ų71.31%0.0134%0.34CS..Hα-helixtrans-60.4-46.4176.7-65.4156.8000110.3C55 L97 Q101 Y102 A107 V108 C109 T297 Y302C55-I105 HydrophobicContact CB-CG2 3.77Å; L97-I105 HydrophobicContact CD1-CD1 4.15Å; Q101-I105 WeakPolarHBondContact O-CD1 3.45Å; Q101-I105 VanDerWaalsContact O-CG1 3.26Å; Q101-I105 WeakPolarHBondContact O-CG1 3.42Å; Q101-I105 PolarHBondContact O-N 2.99Å; Y102-I105 PolarHBondContact O-N 2.9Å; Y102-I105 VanDerWaalsContact O-N 3.15Å; I105-A107 VanDerWaalsContact C-N 3.28Å; I105-A107 PolarHBondContact O-N 3.49Å; I105-V108 PolarHBondContact O-N 3.27Å; I105-C109 WeakPolarHBondContact O-CB 3.42Å; I105-C109 PolarHBondContact O-N 3.02Å; I105-T297 HydrophobicContact CD1-CG2 3.76Å; I105-T297 HydrophobicContact CG1-CG2 3.74Å; I105-Y302 HydrophobicContact CD1-CD1 4.29Å; I105-Y302 HydrophobicContact CD1-CE1 3.56Å; I105-Y302 HydrophobicContact CG1-CE1 4.05Å; I105-Y302 HydrophobicContact CG2-CD1 3.61Å; I105-Y302 HydrophobicContact CG2-CD2 4.15Å; I105-Y302 HydrophobicContact CG2-CE1 3.81Å; I105-Y302 HydrophobicContact CG2-CE2 4.33Å; I105-Y302 HydrophobicContact CG2-CG 3.8Å
106D87.7Confident86.6Confident25 Ų2575.4 Ų75.413%0.13435%0.353CS..Hα-helixtrans-54.5-45.5176.8-66.8-24000110.7L53 C55 Y102 Y104 Y110L53-D106 VanDerWaalsContact O-CG 3.29Å; C55-D106 WeakPolarHBondContact CB-OD1 3.36Å; C55-D106 PolarHBondContact N-OD1 2.97Å; Y102-D106 PolarHBondContact O-N 3.05Å; Y104-D106 PolarHBondContact O-N 2.93Å; D106-Y110 WeakPolarHBondContact O-CB 3.1Å; D106-Y110 PolarHBondContact O-N 3.26Å
107A87.2Confident87Confident57 Ų5768.3 Ų68.347%0.47132%0.316SS..Hα-helixtrans-67.3-41.4178.700000113.1S103 Y104 I105 E111S103-A107 PolarHBondContact O-N 2.9Å; Y104-A107 PolarHBondContact O-N 2.95Å; I105-A107 VanDerWaalsContact C-N 3.28Å; I105-A107 PolarHBondContact O-N 3.49Å; A107-E111 WeakPolarHBondContact O-CB 3.3Å; A107-E111 PolarHBondContact O-N 2.78Å
108V87.7Confident87.1Confident26 Ų2667 Ų6716%0.15831%0.309CS..Hα-helixtrans-69.4-44.9180172.10000111.3Y104 I105 E111 K112 V291 V293Y104-V108 HydrophobicContact CD1-CG2 4.27Å; Y104-V108 HydrophobicContact CD2-CG2 4.3Å; Y104-V108 HydrophobicContact CE1-CG2 3.85Å; Y104-V108 HydrophobicContact CE2-CG2 3.88Å; Y104-V108 HydrophobicContact CG-CG2 4.49Å; Y104-V108 WeakPolarHBondContact O-CG2 3.36Å; Y104-V108 PolarHBondContact O-N 3.34Å; I105-V108 PolarHBondContact O-N 3.27Å; V108-E111 PolarHBondContact O-N 2.84Å; V108-K112 WeakPolarHBondContact O-CB 3.5Å; V108-K112 PolarHBondContact O-N 3.49Å; V108-V291 HydrophobicContact CG1-CB 4.32Å; V108-V291 HydrophobicContact CG1-CG1 3.68Å; V108-V291 HydrophobicContact CG1-CG2 4.25Å; V108-V293 HydrophobicContact CG1-CG1 4.35Å
109C87.4Confident87.1Confident2 Ų261.3 Ų61.31%0.01428%0.282CS..Hα-helixtrans-65.9-39.6175.9-73.70000111.6L53 C55 I105 E111 Q113 L114 C289L53-C109 HydrophobicContact CD2-CB 3.75Å; C55-C109 WeakPolarHBondContact SG-CB 3.45Å; I105-C109 WeakPolarHBondContact O-CB 3.42Å; I105-C109 PolarHBondContact O-N 3.02Å; C109-E111 VanDerWaalsContact C-N 3.29Å; C109-E111 PolarHBondContact O-N 3.04Å; C109-Q113 WeakPolarHBondContact O-CB 3.41Å; C109-Q113 PolarHBondContact O-N 3.38Å; C109-L114 PolarHBondContact O-N 3.38Å; C109-C289 WeakPolarHBondContact CA-SG 3.28Å; C109-C289 HydrophobicContact CB-CB 3.85Å; C109-C289 WeakPolarHBondContact CB-SG 2.98Å; C109-C289 WeakPolarHBondContact SG-CB 3.21Å; C109-C289 CovalentContact SG-SG 2.03Å; C109-C289 PolarHBondContact SG-SG 3.21Å
110Y87.9Confident87.3Confident53 Ų5358.1 Ų58.121%0.20827%0.274CS..Hα-helixtrans-57.7-45171.1-177.4-92.5000110.5V52 L53 D106 L114 K119V52-Y110 HydrophobicContact CB-CD2 4.42Å; V52-Y110 HydrophobicContact CB-CE2 4.14Å; V52-Y110 HydrophobicContact CG1-CD2 4.18Å; V52-Y110 HydrophobicContact CG1-CE2 3.64Å; L53-Y110 HydrophobicContact CB-CD2 4.46Å; D106-Y110 WeakPolarHBondContact O-CB 3.1Å; D106-Y110 PolarHBondContact O-N 3.26Å; Y110-L114 HydrophobicContact CD2-CD2 3.51Å; Y110-L114 HydrophobicContact CE2-CD2 3.31Å; Y110-L114 HydrophobicContact CG-CD2 4.4Å; Y110-L114 VanDerWaalsContact O-CB 3.32Å; Y110-L114 WeakPolarHBondContact O-CB 3.35Å; Y110-K119 HydrophobicContact CE1-CD 4.15Å; Y110-K119 HydrophobicContact CE1-CG 4.32Å; Y110-K119 WeakPolarHBondContact O-CE 3.15Å; Y110-K119 PolarHBondContact O-NZ 3.47Å
111E86.9Confident87.4Confident125 Ų12551.5 Ų51.558%0.58424%0.243SC*.Hα-helixtrans-74.9-41.9-175.4-170.357.6-176.500113.9A107 V108 C109 K119A107-E111 WeakPolarHBondContact O-CB 3.3Å; A107-E111 PolarHBondContact O-N 2.78Å; V108-E111 PolarHBondContact O-N 2.84Å; C109-E111 VanDerWaalsContact C-N 3.29Å; C109-E111 PolarHBondContact O-N 3.04Å; E111-K119 VanDerWaalsContact CA-NZ 3.32Å; E111-K119 PolarHBondContact O-NZ 3.27Å; E111-K119 IonicContact OE2-NZ 3.84Å; E111-K119 PolarHBondContact OE2-NZ 2.88Å
112K86.6Confident87.6Confident156 Ų15649.4 Ų49.468%0.67823%0.233SC*.Hα-helixtrans-91.1-33.3-171.6-66.8-66.3-173.6178.80115V108V108-K112 WeakPolarHBondContact O-CB 3.5Å; V108-K112 PolarHBondContact O-N 3.49Å
113Q85.7Confident87.8Confident75 Ų7552 Ų5235%0.3524%0.243SC..THydrogen-bonded Turntrans-112.4-28-168.3-65.9-68.5-0.900113.7C109 H115 I287 C289 S290 V291C109-Q113 WeakPolarHBondContact O-CB 3.41Å; C109-Q113 PolarHBondContact O-N 3.38Å; Q113-H115 PolarHBondContact O-N 3.48Å; Q113-I287 HydrophobicContact CB-CG2 4.45Å; Q113-C289 HydrophobicContact CB-CB 4.43Å; Q113-C289 HydrophobicContact CG-CB 4.17Å; Q113-S290 PolarHBondContact NE2-O 2.65Å; Q113-V291 HydrophobicContact CG-CG2 4.21Å
114L85.8Confident88Confident12 Ų1251.1 Ų51.16%0.06323%0.234CC..SBendtrans-68126.8175.2-174.967.8000110.6C109 Y110 W116 A118 K119 I287 Y306C109-L114 PolarHBondContact O-N 3.38Å; Y110-L114 HydrophobicContact CD2-CD2 3.51Å; Y110-L114 HydrophobicContact CE2-CD2 3.31Å; Y110-L114 HydrophobicContact CG-CD2 4.4Å; Y110-L114 VanDerWaalsContact O-CB 3.32Å; Y110-L114 WeakPolarHBondContact O-CB 3.35Å; L114-W116 PolarHBondContact O-N 3.21Å; L114-A118 HydrophobicContact CD1-CB 4.12Å; L114-A118 HydrophobicContact CG-CB 4.28Å; L114-K119 HydrophobicContact CD2-CG 3.75Å; L114-K119 HydrophobicContact CG-CG 4.21Å; L114-K119 WeakPolarHBondContact O-CE 3.44Å; L114-I287 HydrophobicContact CD1-CD1 3.4Å; L114-Y306 HydrophobicContact CD1-CD1 4.43Å; L114-Y306 HydrophobicContact CD1-CD2 4.49Å; L114-Y306 HydrophobicContact CD1-CG 4.38Å; L114-Y306 HydrophobicContact CD2-CE2 4.42Å
115H88.2Confident88.2Confident49 Ų4946 Ų4623%0.22722%0.215CC..  trans-57.8135.1179.8-170-89.9000111.6Q113 F117 A118 F279Q113-H115 PolarHBondContact O-N 3.48Å; H115-F117 VanDerWaalsContact ND1-CB 3.25Å; H115-F117 WeakPolarHBondContact ND1-CB 3.28Å; H115-F117 PolarHBondContact ND1-N 3.02Å; H115-F117 VanDerWaalsContact ND1-N 3.19Å; H115-F117 PolarHBondContact O-N 3.12Å; H115-F117 VanDerWaalsContact O-N 3.13Å; H115-A118 PolarHBondContact O-N 3.38Å; H115-F279 AromaticContact CE1-CD1 3.59Å
116W89Confident88.3Confident114 Ų11447.6 Ų47.643%0.43222%0.223SC..Hα-helixtrans-55.7-35.9-174.869.5-89.8000112.8L114 A118 K119 F120 F279L114-W116 PolarHBondContact O-N 3.21Å; W116-A118 VanDerWaalsContact C-N 3.32Å; W116-A118 PolarHBondContact O-N 2.95Å; W116-K119 WeakPolarHBondContact O-CB 3.41Å; W116-K119 PolarHBondContact O-N 3Å; W116-K119 VanDerWaalsContact O-N 3.11Å; W116-F120 HydrophobicContact CB-CD2 4.27Å; W116-F120 HydrophobicContact CE3-CD2 4.39Å; W116-F120 VanDerWaalsContact O-CD2 3.23Å; W116-F120 WeakPolarHBondContact O-CD2 3.39Å; W116-F120 PolarHBondContact O-N 3.21Å; W116-F279 HydrophobicContact CH2-CE2 4.4Å; W116-F279 HydrophobicContact CZ2-CD1 4.46Å; W116-F279 HydrophobicContact CZ2-CD2 4.26Å; W116-F279 HydrophobicContact CZ2-CE1 4.13Å; W116-F279 AromaticContact CZ2-CE2 3.93Å; W116-F279 HydrophobicContact CZ2-CE2 3.93Å; W116-F279 AromaticContact CZ2-CZ 3.86Å; W116-F279 HydrophobicContact CZ2-CZ 3.86Å
117F89.5Confident88.5Confident0 Ų050.9 Ų50.90%024%0.24CC..Hα-helixtrans-60.2-40.3179.3-175.7-103.6000112.1H115 K119 F120 F121 L124 Y275 V276 F279 L280 I283H115-F117 VanDerWaalsContact ND1-CB 3.25Å; H115-F117 WeakPolarHBondContact ND1-CB 3.28Å; H115-F117 PolarHBondContact ND1-N 3.02Å; H115-F117 VanDerWaalsContact ND1-N 3.19Å; H115-F117 PolarHBondContact O-N 3.12Å; H115-F117 VanDerWaalsContact O-N 3.13Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 3.2Å; F117-F120 PolarHBondContact O-N 2.94Å; F117-F121 HydrophobicContact CE1-CD2 4.06Å; F117-F121 HydrophobicContact CE2-CD2 4.39Å; F117-F121 AromaticContact CZ-CD2 3.72Å; F117-F121 HydrophobicContact CZ-CD2 3.72Å; F117-F121 HydrophobicContact CZ-CE2 4.42Å; F117-F121 WeakPolarHBondContact O-CA 3.12Å; F117-F121 WeakPolarHBondContact O-CB 3.29Å; F117-F121 PolarHBondContact O-N 2.96Å; F117-L124 HydrophobicContact CD2-CD2 4.16Å; F117-L124 HydrophobicContact CE2-CD2 3.8Å; F117-Y275 HydrophobicContact CE2-CE2 4.36Å; F117-V276 HydrophobicContact CZ-CG1 4.15Å; F117-F279 HydrophobicContact CB-CB 3.98Å; F117-F279 HydrophobicContact CB-CG 4.42Å; F117-F279 HydrophobicContact CD1-CB 3.66Å; F117-F279 HydrophobicContact CD2-CB 3.73Å; F117-F279 HydrophobicContact CD2-CD2 4.26Å; F117-F279 HydrophobicContact CD2-CG 4.24Å; F117-F279 HydrophobicContact CE1-CB 4.03Å; F117-F279 HydrophobicContact CE2-CB 4.09Å; F117-F279 HydrophobicContact CG-CB 3.51Å; F117-F279 HydrophobicContact CG-CG 4.26Å; F117-F279 HydrophobicContact CZ-CB 4.24Å; F117-L280 HydrophobicContact CE1-CD2 3.91Å; F117-L280 HydrophobicContact CE1-CG 4.09Å; F117-I283 HydrophobicContact CD1-CD1 4.02Å; F117-I283 HydrophobicContact CD1-CG1 4.4Å; F117-I283 HydrophobicContact CE1-CD1 4.16Å
118A85.6Confident88.7Confident2 Ų248.7 Ų48.72%0.01722%0.22CC..Hα-helixtrans-65.4-33.2177.700000112L114 H115 W116 I283 Y306 F312L114-A118 HydrophobicContact CD1-CB 4.12Å; L114-A118 HydrophobicContact CG-CB 4.28Å; H115-A118 PolarHBondContact O-N 3.38Å; W116-A118 VanDerWaalsContact C-N 3.32Å; W116-A118 PolarHBondContact O-N 2.95Å; A118-I283 HydrophobicContact CB-CD1 4.34Å; A118-I283 HydrophobicContact CB-CG1 4.23Å; A118-Y306 HydrophobicContact CB-CE1 4.32Å; A118-F312 WeakPolarHBondContact O-CE2 3.48Å
119K87.2Confident88.8Confident16 Ų1647.5 Ų47.57%0.0721%0.213CC..Hα-helixtrans-74.3-38.4176.3-57.8-179.4-175.7178.30112.9Q46 Y110 E111 L114 W116 F117Q46-K119 PolarHBondContact NE2-O 3.38Å; Q46-K119 PolarHBondContact OE1-O 3.17Å; Y110-K119 HydrophobicContact CE1-CD 4.15Å; Y110-K119 HydrophobicContact CE1-CG 4.32Å; Y110-K119 WeakPolarHBondContact O-CE 3.15Å; Y110-K119 PolarHBondContact O-NZ 3.47Å; E111-K119 VanDerWaalsContact CA-NZ 3.32Å; E111-K119 PolarHBondContact O-NZ 3.27Å; E111-K119 IonicContact OE2-NZ 3.84Å; E111-K119 PolarHBondContact OE2-NZ 2.88Å; L114-K119 HydrophobicContact CD2-CG 3.75Å; L114-K119 HydrophobicContact CG-CG 4.21Å; L114-K119 WeakPolarHBondContact O-CE 3.44Å; W116-K119 WeakPolarHBondContact O-CB 3.41Å; W116-K119 PolarHBondContact O-N 3Å; W116-K119 VanDerWaalsContact O-N 3.11Å; F117-K119 VanDerWaalsContact C-N 3.28Å; F117-K119 PolarHBondContact O-N 3.2Å
120F89.9Confident88.9Confident111 Ų11151.3 Ų51.349%0.48723%0.233SC..Hα-helixtrans-105-0.9-170.7-64-67.2000114W116 F117 Y123 L124W116-F120 HydrophobicContact CB-CD2 4.27Å; W116-F120 HydrophobicContact CE3-CD2 4.39Å; W116-F120 VanDerWaalsContact O-CD2 3.23Å; W116-F120 WeakPolarHBondContact O-CD2 3.39Å; W116-F120 PolarHBondContact O-N 3.21Å; F117-F120 PolarHBondContact O-N 2.94Å; F120-Y123 HydrophobicContact CD1-CD2 4.35Å; F120-Y123 PolarHBondContact O-N 3.03Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; F120-L124 WeakPolarHBondContact O-CB 3.4Å; F120-L124 PolarHBondContact O-N 2.94Å
121F89.5Confident89Confident1 Ų151.6 Ų51.60%0.00424%0.237CC..Hα-helixtrans-49.6-51.6-176.9167.9-101.7000113.7A42 F117 Y123 L124 V125 F312 A316A42-F121 HydrophobicContact CB-CE1 4.31Å; F117-F121 HydrophobicContact CE1-CD2 4.06Å; F117-F121 HydrophobicContact CE2-CD2 4.39Å; F117-F121 AromaticContact CZ-CD2 3.72Å; F117-F121 HydrophobicContact CZ-CD2 3.72Å; F117-F121 HydrophobicContact CZ-CE2 4.42Å; F117-F121 WeakPolarHBondContact O-CA 3.12Å; F117-F121 WeakPolarHBondContact O-CB 3.29Å; F117-F121 PolarHBondContact O-N 2.96Å; F121-Y123 VanDerWaalsContact C-N 3.32Å; F121-Y123 PolarHBondContact O-N 3.23Å; F121-L124 WeakPolarHBondContact O-CB 3.41Å; F121-L124 PolarHBondContact O-N 3.13Å; F121-V125 HydrophobicContact CD2-CG2 3.96Å; F121-V125 HydrophobicContact CE1-CG2 4.2Å; F121-V125 HydrophobicContact CE2-CG2 3.46Å; F121-V125 VanDerWaalsContact CE2-CG2 3.46Å; F121-V125 HydrophobicContact CZ-CG2 3.58Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.16Å; F121-F312 HydrophobicContact CD1-CD2 4.22Å; F121-A316 HydrophobicContact CD2-CB 4.37Å; F121-A316 HydrophobicContact CE1-CB 4.21Å; F121-A316 HydrophobicContact CE2-CB 3.53Å; F121-A316 HydrophobicContact CZ-CB 3.44Å; F121-A316 VanDerWaalsContact CZ-CB 3.44Å
122P89.5Confident89.1Confident3 Ų345.7 Ų45.72%0.01921%0.21CC..Hα-helixtrans-64.3-36.4-178.3-24.337.2000113.5A42 Q46 L126 F312A42-P122 HydrophobicContact CB-CB 3.84Å; A42-P122 HydrophobicContact CB-CG 3.68Å; Q46-P122 VanDerWaalsContact OE1-CD 3.24Å; Q46-P122 VanDerWaalsContact OE1-CG 3.23Å; P122-L126 WeakPolarHBondContact O-CB 3.42Å; P122-L126 PolarHBondContact O-N 2.82Å; P122-F312 HydrophobicContact CG-CE2 4.16Å; P122-F312 HydrophobicContact CG-CZ 4.13Å
123Y90.1Very high89.1Confident103 Ų10339.4 Ų39.440%0.40419%0.187SC..Hα-helixtrans-70.7-34.9177.7-57.2-78.6000111.8F120 F121 L126 L127F120-Y123 HydrophobicContact CD1-CD2 4.35Å; F120-Y123 PolarHBondContact O-N 3.03Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; F121-Y123 VanDerWaalsContact C-N 3.32Å; F121-Y123 PolarHBondContact O-N 3.23Å; Y123-L126 PolarHBondContact O-N 3.02Å; Y123-L127 WeakPolarHBondContact O-CB 3.27Å; Y123-L127 PolarHBondContact O-N 3.01Å
124L91.4Very high89.1Confident32 Ų3238.8 Ų38.817%0.16820%0.195CC..Hα-helixtrans-68.7-44.7175.9-167.569.3000111.3F117 F120 F121 L126 L127 H128 Y275F117-L124 HydrophobicContact CD2-CD2 4.16Å; F117-L124 HydrophobicContact CE2-CD2 3.8Å; F120-L124 WeakPolarHBondContact O-CB 3.4Å; F120-L124 PolarHBondContact O-N 2.94Å; F121-L124 WeakPolarHBondContact O-CB 3.41Å; F121-L124 PolarHBondContact O-N 3.13Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 2.85Å; L124-L127 PolarHBondContact O-N 3.2Å; L124-H128 PolarHBondContact O-CD2 2.93Å; L124-H128 VanDerWaalsContact O-CG 3.23Å; L124-H128 PolarHBondContact O-N 2.92Å; L124-H128 PolarHBondContact O-ND1 2.78Å; L124-Y275 HydrophobicContact CD2-CE2 3.7Å; L124-Y275 VanDerWaalsContact CD2-OH 3.25Å; L124-Y275 WeakPolarHBondContact CD2-OH 3.17Å; L124-Y275 WeakPolarHBondContact CG-OH 3.45Å
125V91.3Very high89.2Confident2 Ų239.5 Ų39.51%0.01220%0.2CC..Hα-helixtrans-58.8-46.9172.21750000110.1A39 F121 L127 H128 T129 Y319A39-V125 HydrophobicContact CB-CB 4.11Å; A39-V125 HydrophobicContact CB-CG1 3.63Å; F121-V125 HydrophobicContact CD2-CG2 3.96Å; F121-V125 HydrophobicContact CE1-CG2 4.2Å; F121-V125 HydrophobicContact CE2-CG2 3.46Å; F121-V125 VanDerWaalsContact CE2-CG2 3.46Å; F121-V125 HydrophobicContact CZ-CG2 3.58Å; F121-V125 WeakPolarHBondContact O-CG2 3.41Å; F121-V125 PolarHBondContact O-N 3.16Å; V125-L127 PolarHBondContact O-N 3.22Å; V125-H128 PolarHBondContact O-N 3.36Å; V125-T129 HydrophobicContact CG1-CG2 4.37Å; V125-T129 VanDerWaalsContact O-CG2 3.27Å; V125-T129 WeakPolarHBondContact O-CG2 3.32Å; V125-T129 PolarHBondContact O-N 3.38Å; V125-T129 PolarHBondContact O-OG1 3.5Å; V125-Y319 HydrophobicContact CB-CE2 4.33Å; V125-Y319 HydrophobicContact CG1-CD2 3.67Å; V125-Y319 HydrophobicContact CG1-CE2 3.53Å; V125-Y319 HydrophobicContact CG1-CG 4.38Å; V125-Y319 HydrophobicContact CG2-CD1 4.07Å; V125-Y319 HydrophobicContact CG2-CD2 4.19Å; V125-Y319 HydrophobicContact CG2-CE1 4.05Å; V125-Y319 HydrophobicContact CG2-CE2 4.17Å; V125-Y319 HydrophobicContact CG2-CG 4.13Å
126L90.1Very high89Confident36 Ų3638 Ų3819%0.18820%0.195CC..Hα-helixtrans-56.8-48.6176.5-179.964.5000111.3I2 L36 A39 P122 Y123 L124 H128 T129 L130I2-L126 HydrophobicContact CD1-CD1 4.19Å; I2-L126 HydrophobicContact CD1-CD2 3.96Å; L36-L126 HydrophobicContact CD1-CD1 3.32Å; A39-L126 HydrophobicContact CB-CB 4.01Å; A39-L126 HydrophobicContact CB-CD1 4.45Å; P122-L126 WeakPolarHBondContact O-CB 3.42Å; P122-L126 PolarHBondContact O-N 2.82Å; Y123-L126 PolarHBondContact O-N 3.02Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 2.85Å; L126-H128 PolarHBondContact O-N 2.89Å; L126-T129 WeakPolarHBondContact CA-OG1 3.21Å; L126-T129 PolarHBondContact O-N 3Å; L126-T129 PolarHBondContact O-OG1 3.01Å; L126-L130 HydrophobicContact CD1-CD1 4.36Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.02Å
127L91.4Very high88.7Confident94 Ų9433.7 Ų33.749%0.49218%0.181SC..Hα-helixtrans-57.5-47.7177.6179.564000111.7Y123 L124 V125 T129 L130 I131Y123-L127 WeakPolarHBondContact O-CB 3.27Å; Y123-L127 PolarHBondContact O-N 3.01Å; L124-L127 PolarHBondContact O-N 3.2Å; V125-L127 PolarHBondContact O-N 3.22Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 2.86Å; L127-L130 PolarHBondContact O-N 3.39Å; L127-I131 HydrophobicContact CD1-CD1 4.12Å; L127-I131 HydrophobicContact CD1-CG1 4.44Å; L127-I131 HydrophobicContact CG-CD1 3.94Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.24Å
128H91.8Very high88.6Confident10 Ų1038.8 Ų38.85%0.04620%0.203CC..Hα-helixtrans-60.6-43.2176.8-59.7156.4000112.6L124 V125 L126 L130 I131 F132 I272 Y275 Y319L124-H128 PolarHBondContact O-CD2 2.93Å; L124-H128 VanDerWaalsContact O-CG 3.23Å; L124-H128 PolarHBondContact O-N 2.92Å; L124-H128 PolarHBondContact O-ND1 2.78Å; V125-H128 PolarHBondContact O-N 3.36Å; L126-H128 PolarHBondContact O-N 2.89Å; H128-L130 VanDerWaalsContact C-N 3.32Å; H128-L130 PolarHBondContact O-N 3.31Å; H128-I131 PolarHBondContact O-N 3.14Å; H128-F132 HydrophobicContact CB-CD2 4.47Å; H128-F132 HydrophobicContact CB-CE2 4.4Å; H128-F132 WeakPolarHBondContact O-CD2 3.27Å; H128-F132 PolarHBondContact O-N 3.14Å; H128-I272 HydrophobicContact CB-CD1 3.87Å; H128-Y275 AromaticContact CE1-CZ 3.7Å; H128-Y275 PolarHBondContact CE1-OH 3.07Å; H128-Y275 AromaticContact NE2-CZ 3.82Å; H128-Y275 PolarHBondContact NE2-OH 2.89Å; H128-Y319 WeakPolarHBondContact CB-OH 3.43Å; H128-Y319 AromaticContact ND1-CZ 3.9Å; H128-Y319 PolarHBondContact ND1-OH 2.96Å
129T90.8Very high88.6Confident2 Ų238.9 Ų38.91%0.01220%0.203CC..Hα-helixtrans-63.3-40-179.956.60000112M35 V125 L126 L127 F132 A133M35-T129 HydrophobicContact CB-CG2 3.33Å; M35-T129 HydrophobicContact CE-CG2 4.04Å; M35-T129 HydrophobicContact CG-CG2 4.48Å; V125-T129 HydrophobicContact CG1-CG2 4.37Å; V125-T129 VanDerWaalsContact O-CG2 3.27Å; V125-T129 WeakPolarHBondContact O-CG2 3.32Å; V125-T129 PolarHBondContact O-N 3.38Å; V125-T129 PolarHBondContact O-OG1 3.5Å; L126-T129 WeakPolarHBondContact CA-OG1 3.21Å; L126-T129 PolarHBondContact O-N 3Å; L126-T129 PolarHBondContact O-OG1 3.01Å; L127-T129 VanDerWaalsContact C-N 3.33Å; L127-T129 PolarHBondContact O-N 2.86Å; T129-F132 PolarHBondContact O-N 3.15Å; T129-A133 VanDerWaalsContact O-CB 3.32Å; T129-A133 WeakPolarHBondContact O-CB 3.44Å; T129-A133 PolarHBondContact O-N 2.84Å
130L88.9Confident88.4Confident81 Ų8138.4 Ų38.442%0.42420%0.201SC..Hα-helixtrans-65.5-41.1174.8-68.7175.3000111.5L126 L127 H128 A133 A134L126-L130 HydrophobicContact CD1-CD1 4.36Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.19Å; L126-L130 WeakPolarHBondContact O-CG 3.36Å; L126-L130 PolarHBondContact O-N 3.02Å; L127-L130 PolarHBondContact O-N 3.39Å; H128-L130 VanDerWaalsContact C-N 3.32Å; H128-L130 PolarHBondContact O-N 3.31Å; L130-A133 PolarHBondContact O-N 3.08Å; L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 2.75Å
131I89.1Confident88Confident60 Ų6038.5 Ų38.531%0.30820%0.203SC..Hα-helixtrans-63.7-45.5175.6-63.8163.7000110.6L127 H128 A133 A134 C135 L268L127-I131 HydrophobicContact CD1-CD1 4.12Å; L127-I131 HydrophobicContact CD1-CG1 4.44Å; L127-I131 HydrophobicContact CG-CD1 3.94Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.44Å; L127-I131 PolarHBondContact O-N 3.24Å; H128-I131 PolarHBondContact O-N 3.14Å; I131-A133 PolarHBondContact O-N 3.13Å; I131-A134 PolarHBondContact O-N 3.06Å; I131-C135 VanDerWaalsContact O-CB 3.25Å; I131-C135 WeakPolarHBondContact O-CB 3.35Å; I131-C135 PolarHBondContact O-N 2.97Å; I131-C135 PolarHBondContact O-SG 3.25Å; I131-L268 HydrophobicContact CB-CD2 4.01Å; I131-L268 HydrophobicContact CG2-CD2 3.48Å; I131-L268 VanDerWaalsContact CG2-CD2 3.48Å
132F90.1Very high87.9Confident1 Ų143.3 Ų43.30%0.00422%0.222CC..Hα-helixtrans-63.1-40177.1-75.2-52000112.7T32 M35 H128 T129 S136 K265 L268 I272 Y326T32-F132 HydrophobicContact CG2-CB 3.9Å; M35-F132 HydrophobicContact CE-CD2 3.84Å; M35-F132 HydrophobicContact CE-CE2 3.93Å; H128-F132 HydrophobicContact CB-CD2 4.47Å; H128-F132 HydrophobicContact CB-CE2 4.4Å; H128-F132 WeakPolarHBondContact O-CD2 3.27Å; H128-F132 PolarHBondContact O-N 3.14Å; T129-F132 PolarHBondContact O-N 3.15Å; F132-S136 WeakPolarHBondContact O-CB 3.39Å; F132-S136 PolarHBondContact O-N 3.18Å; F132-S136 PolarHBondContact O-OG 3.09Å; F132-K265 HydrophobicContact CD1-CG 4.41Å; F132-L268 HydrophobicContact CD1-CD2 3.89Å; F132-L268 HydrophobicContact CD2-CD2 4.47Å; F132-L268 HydrophobicContact CE1-CB 4Å; F132-L268 HydrophobicContact CE1-CD2 3.58Å; F132-L268 HydrophobicContact CE1-CG 3.9Å; F132-L268 HydrophobicContact CE2-CD2 4.2Å; F132-L268 HydrophobicContact CE2-CG 4.48Å; F132-L268 HydrophobicContact CG-CD2 4.33Å; F132-L268 HydrophobicContact CZ-CB 4.22Å; F132-L268 HydrophobicContact CZ-CD2 3.75Å; F132-L268 HydrophobicContact CZ-CG 3.78Å; F132-I272 HydrophobicContact CE2-CD1 3.6Å; F132-I272 HydrophobicContact CZ-CD1 3.74Å; F132-Y326 HydrophobicContact CD1-CD1 4.19Å; F132-Y326 AromaticContact CD1-CE1 3.39Å; F132-Y326 HydrophobicContact CD1-CE1 3.39Å; F132-Y326 AromaticContact CD1-CZ 3.68Å; F132-Y326 AromaticContact CE1-CD1 3.97Å; F132-Y326 HydrophobicContact CE1-CD1 3.97Å; F132-Y326 AromaticContact CE1-CE1 3.49Å; F132-Y326 HydrophobicContact CE1-CE1 3.49Å; F132-Y326 VanDerWaalsContact CE1-CE1 3.49Å; F132-Y326 HydrophobicContact CG-CE1 4.03Å; F132-Y326 HydrophobicContact CZ-CD1 4.23Å; F132-Y326 HydrophobicContact CZ-CE1 4.19Å
133A86.4Confident87.7Confident23 Ų2347.9 Ų47.919%0.1925%0.251CS..Hα-helixtrans-66.9-47176.400000112T129 L130 I131 S136 N137T129-A133 VanDerWaalsContact O-CB 3.32Å; T129-A133 WeakPolarHBondContact O-CB 3.44Å; T129-A133 PolarHBondContact O-N 2.84Å; L130-A133 PolarHBondContact O-N 3.08Å; I131-A133 PolarHBondContact O-N 3.13Å; A133-S136 PolarHBondContact O-N 3.08Å; A133-N137 PolarHBondContact O-N 2.92Å; A133-N137 PolarHBondContact O-ND2 2.91Å
134A85.9Confident87.3Confident63 Ų6344.9 Ų44.952%0.52125%0.245SC..Hα-helixtrans-63.1-45.9178.200000111.7L130 I131 S136 N137 F138L130-A134 WeakPolarHBondContact O-CB 3.4Å; L130-A134 PolarHBondContact O-N 2.75Å; I131-A134 PolarHBondContact O-N 3.06Å; A134-S136 VanDerWaalsContact C-N 3.3Å; A134-S136 PolarHBondContact O-N 3.07Å; A134-N137 PolarHBondContact O-N 3.42Å; A134-F138 PolarHBondContact O-N 3Å
135C87.3Confident87.1Confident26 Ų2643.3 Ų43.318%0.17624%0.237CC..Hα-helixtrans-57.1-46.6174.3-75.70000110.2I131 N137 F138 Q261 K265I131-C135 VanDerWaalsContact O-CB 3.25Å; I131-C135 WeakPolarHBondContact O-CB 3.35Å; I131-C135 PolarHBondContact O-N 2.97Å; I131-C135 PolarHBondContact O-SG 3.25Å; C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.17Å; C135-F138 PolarHBondContact O-N 2.99Å; C135-Q261 HydrophobicContact CB-CG 4.49Å; C135-Q261 WeakPolarHBondContact O-CG 3.44Å; C135-Q261 PolarHBondContact O-NE2 3.32Å; C135-Q261 VanDerWaalsContact O-NE2 3.14Å; C135-Q261 PolarHBondContact O-OE1 2.77Å; C135-K265 HydrophobicContact CB-CG 4.39Å
136S83.9Confident86.9Confident17 Ų1744 Ų4412%0.11924%0.242CC..Hα-helixtrans-60.3-35.8-177.4-59.70000114F132 A133 A134 Q261 K265F132-S136 WeakPolarHBondContact O-CB 3.39Å; F132-S136 PolarHBondContact O-N 3.18Å; F132-S136 PolarHBondContact O-OG 3.09Å; A133-S136 PolarHBondContact O-N 3.08Å; A134-S136 VanDerWaalsContact C-N 3.3Å; A134-S136 PolarHBondContact O-N 3.07Å; S136-Q261 VanDerWaalsContact CA-NE2 3.3Å; S136-Q261 PolarHBondContact O-NE2 2.84Å; S136-K265 WeakPolarHBondContact OG-CE 3.39Å; S136-K265 PolarHBondContact OG-NZ 3.43Å
137N83.2Confident86.7Confident25 Ų2544.8 Ų44.813%0.13425%0.251CS..Hα-helixtrans-98.4-6.4-175-64.4-31.2000114A133 A134 C135 W139 L140 H141A133-N137 PolarHBondContact O-N 2.92Å; A133-N137 PolarHBondContact O-ND2 2.91Å; A134-N137 PolarHBondContact O-N 3.42Å; C135-N137 VanDerWaalsContact C-N 3.3Å; C135-N137 PolarHBondContact O-N 3.17Å; N137-W139 PolarHBondContact O-N 3.1Å; N137-L140 PolarHBondContact O-N 3.01Å; N137-L140 VanDerWaalsContact O-N 3.12Å; N137-H141 PolarHBondContact O-CD2 2.84Å; N137-H141 PolarHBondContact O-N 2.99Å
138F86.4Confident86.6Confident107 Ų10741.1 Ų41.147%0.46923%0.23SC..Hα-helixtrans-55.9-47.4-173.4179.2-100.6000112.8A134 C135 L140 H141 Y142 V257A134-F138 PolarHBondContact O-N 3Å; C135-F138 PolarHBondContact O-N 2.99Å; F138-L140 PolarHBondContact O-N 3.45Å; F138-H141 PolarHBondContact O-N 3.02Å; F138-Y142 HydrophobicContact CE1-CD2 4.39Å; F138-Y142 HydrophobicContact CE1-CG 4.3Å; F138-Y142 HydrophobicContact CE2-CD2 4.25Å; F138-Y142 AromaticContact CZ-CD2 3.76Å; F138-Y142 HydrophobicContact CZ-CD2 3.76Å; F138-Y142 HydrophobicContact CZ-CE2 4.24Å; F138-Y142 HydrophobicContact CZ-CG 4.12Å; F138-Y142 VanDerWaalsContact O-CB 3.3Å; F138-Y142 WeakPolarHBondContact O-CB 3.23Å; F138-Y142 PolarHBondContact O-N 2.9Å; F138-V257 HydrophobicContact CD1-CG1 3.76Å; F138-V257 HydrophobicContact CE1-CG1 3.9Å
139W86.6Confident86.4Confident3 Ų340.6 Ų40.61%0.01123%0.228CC..Hα-helixtrans-67.7-22.3-177.678.1-74.6000114.1L20 N137 T145 L149 I254 V257 Y258 L372L20-W139 HydrophobicContact CB-CH2 4.31Å; N137-W139 PolarHBondContact O-N 3.1Å; W139-T145 WeakPolarHBondContact O-CB 3.4Å; W139-T145 PolarHBondContact O-OG1 3.16Å; W139-L149 HydrophobicContact CD2-CD1 4.45Å; W139-L149 HydrophobicContact CE3-CD1 3.45Å; W139-L149 VanDerWaalsContact CE3-CD1 3.45Å; W139-L149 HydrophobicContact CE3-CD2 4.46Å; W139-L149 HydrophobicContact CH2-CD1 4.26Å; W139-L149 HydrophobicContact CH2-CD2 4.48Å; W139-L149 HydrophobicContact CZ3-CD1 3.34Å; W139-L149 HydrophobicContact CZ3-CD2 3.67Å; W139-L149 HydrophobicContact CZ3-CG 4.15Å; W139-I254 HydrophobicContact CE3-CG2 4.16Å; W139-I254 HydrophobicContact CZ3-CG2 4.18Å; W139-V257 HydrophobicContact CB-CG1 3.69Å; W139-Y258 AromaticContact CD2-CD2 3.99Å; W139-Y258 HydrophobicContact CD2-CD2 3.99Å; W139-Y258 AromaticContact CE2-CD2 3.84Å; W139-Y258 HydrophobicContact CG-CD2 4.22Å; W139-Y258 HydrophobicContact CZ2-CD2 4.26Å; W139-Y258 HydrophobicContact CZ2-CE2 4.2Å; W139-Y258 AromaticContact NE1-CD2 3.96Å; W139-L372 HydrophobicContact CH2-CD1 4.24Å
140L82.9Confident86.2Confident6 Ų645.5 Ų45.53%0.03125%0.25CS..Hα-helixtrans-79.3-34.7178.5-66.7173.7000112.4Y17 N137 F138 S146 L149Y17-L140 HydrophobicContact CD1-CD2 4.26Å; Y17-L140 HydrophobicContact CD2-CD2 4.45Å; Y17-L140 HydrophobicContact CG-CD2 4.07Å; N137-L140 PolarHBondContact O-N 3.01Å; N137-L140 VanDerWaalsContact O-N 3.12Å; F138-L140 PolarHBondContact O-N 3.45Å; L140-S146 WeakPolarHBondContact O-CB 2.93Å; L140-S146 PolarHBondContact O-OG 2.69Å; L140-S146 VanDerWaalsContact O-OG 3.07Å; L140-L149 HydrophobicContact CD2-CD1 4.33Å
141H82.4Confident86.2Confident113 Ų11347.1 Ų47.152%0.52326%0.256SS..Hα-helixtrans-98.3-14.9-177.2-67.7-69.5000114.2N137 F138 P143N137-H141 PolarHBondContact O-CD2 2.84Å; N137-H141 PolarHBondContact O-N 2.99Å; F138-H141 PolarHBondContact O-N 3.02Å; H141-P143 WeakPolarHBondContact O-CD 3.42Å
142Y85.9Confident86.3Confident103 Ų10344.3 Ų44.340%0.40424%0.241SC..SBendtrans-66.6121.1-179.5-173.9-113.9000110.8F138 S144 T145 S146F138-Y142 HydrophobicContact CE1-CD2 4.39Å; F138-Y142 HydrophobicContact CE1-CG 4.3Å; F138-Y142 HydrophobicContact CE2-CD2 4.25Å; F138-Y142 AromaticContact CZ-CD2 3.76Å; F138-Y142 HydrophobicContact CZ-CD2 3.76Å; F138-Y142 HydrophobicContact CZ-CE2 4.24Å; F138-Y142 HydrophobicContact CZ-CG 4.12Å; F138-Y142 VanDerWaalsContact O-CB 3.3Å; F138-Y142 WeakPolarHBondContact O-CB 3.23Å; F138-Y142 PolarHBondContact O-N 2.9Å; Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 VanDerWaalsContact CD1-OG 3.24Å; Y142-S144 WeakPolarHBondContact CD1-OG 3.4Å; Y142-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y142-S144 PolarHBondContact O-N 3.2Å; Y142-S144 VanDerWaalsContact O-N 3.07Å; Y142-T145 WeakPolarHBondContact CB-OG1 3.32Å; Y142-T145 HydrophobicContact CD1-CG2 4.22Å; Y142-T145 PolarHBondContact O-N 3.21Å; Y142-T145 PolarHBondContact O-OG1 2.82Å; Y142-S146 VanDerWaalsContact O-CB 3.31Å; Y142-S146 WeakPolarHBondContact O-CB 3.36Å; Y142-S146 PolarHBondContact O-N 3.25Å
143P84.8Confident86.2Confident98 Ų9844.8 Ų44.864%0.63624%0.244SC*.Hα-helixtrans-56.6-35.8-165-29.934.9000115.5H141 T145 S147H141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-T145 VanDerWaalsContact C-N 3.31Å; P143-T145 PolarHBondContact O-N 3.22Å; P143-S147 PolarHBondContact O-N 2.95Å; P143-S147 PolarHBondContact O-OG 3.26Å
144S82.4Confident86.4Confident40 Ų4046 Ų4628%0.2825%0.254SS..Hα-helixtrans-74.3-21.1-178.873.90000113.9Y142Y142-S144 VanDerWaalsContact C-N 3.29Å; Y142-S144 VanDerWaalsContact CD1-OG 3.24Å; Y142-S144 WeakPolarHBondContact CD1-OG 3.4Å; Y142-S144 WeakPolarHBondContact CE1-OG 3.47Å; Y142-S144 PolarHBondContact O-N 3.2Å; Y142-S144 VanDerWaalsContact O-N 3.07Å
145T86.9Confident86.6Confident0 Ų043.8 Ų43.80%023%0.234CC..Hα-helixtrans-97.9-46.3175.749.50000110.6W139 Y142 P143 S147 R148 L149 I253 I254 V257W139-T145 WeakPolarHBondContact O-CB 3.4Å; W139-T145 PolarHBondContact O-OG1 3.16Å; Y142-T145 WeakPolarHBondContact CB-OG1 3.32Å; Y142-T145 HydrophobicContact CD1-CG2 4.22Å; Y142-T145 PolarHBondContact O-N 3.21Å; Y142-T145 PolarHBondContact O-OG1 2.82Å; P143-T145 VanDerWaalsContact C-N 3.31Å; P143-T145 PolarHBondContact O-N 3.22Å; T145-S147 PolarHBondContact O-N 2.69Å; T145-R148 PolarHBondContact O-N 3.2Å; T145-R148 VanDerWaalsContact O-N 3.09Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 2.88Å; T145-L149 VanDerWaalsContact O-N 3.1Å; T145-I253 HydrophobicContact CG2-CG2 3.91Å; T145-I254 HydrophobicContact CG2-CG1 3.77Å; T145-V257 HydrophobicContact CG2-CG2 4.33Å
146S87Confident86.7Confident16 Ų1642.7 Ų42.711%0.11223%0.226CC..Hα-helixtrans-51-51.6179.7-176.70000112.5L140 Y142 R148 L149 E150L140-S146 WeakPolarHBondContact O-CB 2.93Å; L140-S146 PolarHBondContact O-OG 2.69Å; L140-S146 VanDerWaalsContact O-OG 3.07Å; Y142-S146 VanDerWaalsContact O-CB 3.31Å; Y142-S146 WeakPolarHBondContact O-CB 3.36Å; Y142-S146 PolarHBondContact O-N 3.25Å; S146-R148 VanDerWaalsContact C-N 3.26Å; S146-R148 PolarHBondContact O-N 3.25Å; S146-R148 VanDerWaalsContact O-N 3.14Å; S146-L149 PolarHBondContact O-N 3.07Å; S146-E150 WeakPolarHBondContact O-CG 3.4Å; S146-E150 PolarHBondContact O-N 3.25Å
147S87.1Confident86.9Confident53 Ų5345.6 Ų45.637%0.37124%0.237SC..Hα-helixtrans-53.8-39178.751.80000113.8P143 T145 H151P143-S147 PolarHBondContact O-N 2.95Å; P143-S147 PolarHBondContact O-OG 3.26Å; T145-S147 PolarHBondContact O-N 2.69Å; S147-H151 PolarHBondContact O-N 3.08Å; S147-H151 PolarHBondContact O-ND1 3.41Å
148R87.9Confident87.3Confident16 Ų1649.4 Ų49.46%0.0625%0.253CS..Hα-helixtrans-75-37.1178.5-65.3-172.5-172147.424.1112.6T145 S146 F152 I254 D365T145-R148 PolarHBondContact O-N 3.2Å; T145-R148 VanDerWaalsContact O-N 3.09Å; S146-R148 VanDerWaalsContact C-N 3.26Å; S146-R148 PolarHBondContact O-N 3.25Å; S146-R148 VanDerWaalsContact O-N 3.14Å; R148-F152 WeakPolarHBondContact O-CB 3.47Å; R148-F152 PolarHBondContact O-N 3.41Å; R148-I254 HydrophobicContact CB-CD1 4.01Å; R148-D365 IonicContact NH1-OD2 2.74Å; R148-D365 PolarHBondContact NH1-OD2 2.76Å
149L87.9Confident87.4Confident0 Ų044.4 Ų44.40%023%0.231CC..Hα-helixtrans-68.5-42.1178.1-63168.5000110.9Y17 L20 W139 L140 T145 S146 F152 V153 I254 I369Y17-L149 HydrophobicContact CE1-CB 4.2Å; L20-L149 HydrophobicContact CD1-CB 4.26Å; L20-L149 HydrophobicContact CD1-CD2 3.95Å; W139-L149 HydrophobicContact CD2-CD1 4.45Å; W139-L149 HydrophobicContact CE3-CD1 3.45Å; W139-L149 VanDerWaalsContact CE3-CD1 3.45Å; W139-L149 HydrophobicContact CE3-CD2 4.46Å; W139-L149 HydrophobicContact CH2-CD1 4.26Å; W139-L149 HydrophobicContact CH2-CD2 4.48Å; W139-L149 HydrophobicContact CZ3-CD1 3.34Å; W139-L149 HydrophobicContact CZ3-CD2 3.67Å; W139-L149 HydrophobicContact CZ3-CG 4.15Å; L140-L149 HydrophobicContact CD2-CD1 4.33Å; T145-L149 WeakPolarHBondContact O-CG 3.43Å; T145-L149 PolarHBondContact O-N 2.88Å; T145-L149 VanDerWaalsContact O-N 3.1Å; S146-L149 PolarHBondContact O-N 3.07Å; L149-F152 WeakPolarHBondContact O-CB 3.29Å; L149-F152 PolarHBondContact O-N 3.43Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 WeakPolarHBondContact O-CG2 3.31Å; L149-V153 PolarHBondContact O-N 3.18Å; L149-I254 HydrophobicContact CD2-CD1 4.11Å; L149-I254 HydrophobicContact CD2-CG2 4.36Å; L149-I254 HydrophobicContact CG-CD1 4.37Å; L149-I369 HydrophobicContact CD2-CD1 4.09Å; L149-I369 HydrophobicContact CD2-CG1 4.13Å
150E88.2Confident87.4Confident104 Ų10447 Ų4749%0.48624%0.243SC..Hα-helixtrans-60.4-46.6174.2-70.8-178.8168.800111.7Y17 S146 F152 V153 A154Y17-E150 HydrophobicContact CE1-CG 4.07Å; Y17-E150 WeakPolarHBondContact OH-CG 3.26Å; Y17-E150 PolarHBondContact OH-OE1 2.87Å; S146-E150 WeakPolarHBondContact O-CG 3.4Å; S146-E150 PolarHBondContact O-N 3.25Å; E150-F152 VanDerWaalsContact C-N 3.33Å; E150-F152 PolarHBondContact O-N 3.25Å; E150-V153 PolarHBondContact O-N 2.84Å; E150-A154 VanDerWaalsContact O-CB 3.26Å; E150-A154 WeakPolarHBondContact O-CB 3.14Å; E150-A154 PolarHBondContact O-N 2.81Å
151H88.2Confident87.6Confident115 Ų11552.4 Ų52.453%0.53227%0.271SS..Hα-helixtrans-62.6-41.2176.2-8074.5000111.7S147 I155 F244S147-H151 PolarHBondContact O-N 3.08Å; S147-H151 PolarHBondContact O-ND1 3.41Å; H151-I155 WeakPolarHBondContact O-CB 3.45Å; H151-I155 WeakPolarHBondContact O-CD1 3.39Å; H151-I155 WeakPolarHBondContact O-CG1 3.33Å; H151-I155 PolarHBondContact O-N 3.31Å; H151-F244 HydrophobicContact CB-CD2 4.02Å; H151-F244 HydrophobicContact CB-CE2 3.65Å
152F90.1Very high87.9Confident1 Ų147.5 Ų47.50%0.00425%0.25CS..Hα-helixtrans-60.6-52.7176179.4-102.1000111.6L20 R148 L149 E150 A154 I155 L156 F244 I369 L370 A373L20-F152 HydrophobicContact CD2-CD1 4.09Å; L20-F152 HydrophobicContact CD2-CE1 3.97Å; R148-F152 WeakPolarHBondContact O-CB 3.47Å; R148-F152 PolarHBondContact O-N 3.41Å; L149-F152 WeakPolarHBondContact O-CB 3.29Å; L149-F152 PolarHBondContact O-N 3.43Å; E150-F152 VanDerWaalsContact C-N 3.33Å; E150-F152 PolarHBondContact O-N 3.25Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 3.37Å; F152-I155 PolarHBondContact O-N 3.02Å; F152-I155 VanDerWaalsContact O-N 3.16Å; F152-L156 HydrophobicContact CE1-CD1 4.17Å; F152-L156 HydrophobicContact CE1-CD2 4.28Å; F152-L156 HydrophobicContact CE2-CD1 4.45Å; F152-L156 HydrophobicContact CZ-CD1 3.83Å; F152-L156 WeakPolarHBondContact O-CB 3.3Å; F152-L156 PolarHBondContact O-N 2.86Å; F152-F244 HydrophobicContact CB-CE1 4.2Å; F152-F244 HydrophobicContact CB-CZ 3.68Å; F152-F244 AromaticContact CD2-CE1 3.8Å; F152-F244 HydrophobicContact CD2-CE1 3.8Å; F152-F244 HydrophobicContact CD2-CZ 4.14Å; F152-F244 HydrophobicContact CG-CZ 4.42Å; F152-I369 HydrophobicContact CD1-CG2 3.33Å; F152-I369 HydrophobicContact CD2-CG2 4.04Å; F152-I369 HydrophobicContact CE1-CG2 3.31Å; F152-I369 HydrophobicContact CE2-CG2 4.01Å; F152-I369 HydrophobicContact CG-CG2 3.7Å; F152-I369 HydrophobicContact CZ-CG2 3.65Å; F152-L370 HydrophobicContact CE2-CD2 4.18Å; F152-L370 HydrophobicContact CE2-CG 4.47Å; F152-L370 HydrophobicContact CZ-CD2 3.99Å; F152-L370 HydrophobicContact CZ-CG 4.49Å; F152-A373 HydrophobicContact CE1-CB 4.47Å
153V89.7Confident88Confident12 Ų1244.9 Ų44.97%0.07325%0.246CC..Hα-helixtrans-62-41.3-178.5171.50000110.8Y17 L20 L149 E150 I155 L156 H157Y17-V153 HydrophobicContact CD1-CG2 4.47Å; L20-V153 HydrophobicContact CD1-CG2 3.59Å; L20-V153 HydrophobicContact CG-CG2 4.08Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 WeakPolarHBondContact O-CG2 3.31Å; L149-V153 PolarHBondContact O-N 3.18Å; E150-V153 PolarHBondContact O-N 2.84Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 2.9Å; V153-L156 PolarHBondContact O-N 3.01Å; V153-H157 PolarHBondContact O-CD2 3.19Å; V153-H157 VanDerWaalsContact O-CD2 3.28Å; V153-H157 PolarHBondContact O-N 2.84Å
154A89.7Confident88Confident48 Ų4840.3 Ų40.340%0.39722%0.216SC..Hα-helixtrans-63.7-37.3176.100000113E150 F152 K158E150-A154 VanDerWaalsContact O-CB 3.26Å; E150-A154 WeakPolarHBondContact O-CB 3.14Å; E150-A154 PolarHBondContact O-N 2.81Å; F152-A154 VanDerWaalsContact C-N 3.32Å; F152-A154 PolarHBondContact O-N 3.37Å; A154-K158 VanDerWaalsContact O-CG 3.3Å; A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 2.89Å
155I90.4Very high88.2Confident17 Ų1738.4 Ų38.49%0.08720%0.202CC..Hα-helixtrans-69.7-45.3174.2-69.3166.2000109.9H151 F152 V153 H157 K158 C159 V241 F244 F384H151-I155 WeakPolarHBondContact O-CB 3.45Å; H151-I155 WeakPolarHBondContact O-CD1 3.39Å; H151-I155 WeakPolarHBondContact O-CG1 3.33Å; H151-I155 PolarHBondContact O-N 3.31Å; F152-I155 PolarHBondContact O-N 3.02Å; F152-I155 VanDerWaalsContact O-N 3.16Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 2.9Å; I155-H157 VanDerWaalsContact C-N 3.34Å; I155-H157 PolarHBondContact O-N 2.95Å; I155-K158 PolarHBondContact O-N 2.96Å; I155-K158 VanDerWaalsContact O-N 3.13Å; I155-C159 PolarHBondContact O-N 2.91Å; I155-C159 PolarHBondContact O-SG 2.78Å; I155-V241 HydrophobicContact CG2-CG2 3.65Å; I155-F244 HydrophobicContact CD1-CB 3.54Å; I155-F244 HydrophobicContact CD1-CD1 3.89Å; I155-F244 HydrophobicContact CD1-CD2 3.76Å; I155-F244 HydrophobicContact CD1-CE2 4.46Å; I155-F244 HydrophobicContact CD1-CG 3.43Å; I155-F244 VanDerWaalsContact CD1-CG 3.43Å; I155-F384 HydrophobicContact CG2-CE2 3.97Å
156L88.9Confident88.1Confident2 Ų241.4 Ų41.41%0.0122%0.221CC..Hα-helixtrans-59.4-44.4-178.4-160.784.7000111.7I19 F152 V153 C159 F160 Y380 F384I19-L156 HydrophobicContact CD1-CD2 4.43Å; I19-L156 HydrophobicContact CG2-CD2 3.65Å; F152-L156 HydrophobicContact CE1-CD1 4.17Å; F152-L156 HydrophobicContact CE1-CD2 4.28Å; F152-L156 HydrophobicContact CE2-CD1 4.45Å; F152-L156 HydrophobicContact CZ-CD1 3.83Å; F152-L156 WeakPolarHBondContact O-CB 3.3Å; F152-L156 PolarHBondContact O-N 2.86Å; V153-L156 PolarHBondContact O-N 3.01Å; L156-C159 PolarHBondContact O-N 3.41Å; L156-F160 WeakPolarHBondContact O-CB 3.46Å; L156-F160 PolarHBondContact O-N 3.23Å; L156-Y380 HydrophobicContact CD1-CD1 4.44Å; L156-Y380 HydrophobicContact CD2-CD1 3.46Å; L156-Y380 VanDerWaalsContact CD2-CD1 3.46Å; L156-Y380 HydrophobicContact CD2-CE1 3.99Å; L156-Y380 HydrophobicContact CD2-CG 3.8Å; L156-Y380 HydrophobicContact CG-CD1 3.67Å; L156-Y380 HydrophobicContact CG-CE1 4.37Å; L156-Y380 HydrophobicContact CG-CG 4.29Å; L156-F384 HydrophobicContact CD1-CB 4.46Å; L156-F384 HydrophobicContact CD1-CD2 4.18Å; L156-F384 HydrophobicContact CD1-CG 4.47Å
157H88.9Confident87.9Confident79 Ų7943.5 Ų43.537%0.36623%0.226SC..Hα-helixtrans-60.9-45.9173.6-82.9-63.1000112.1I19 V153 I155 C159 F160 D161I19-H157 VanDerWaalsContact CD1-CE1 3.44Å; I19-H157 WeakPolarHBondContact CD1-CE1 3Å; I19-H157 VanDerWaalsContact CD1-NE2 3.34Å; I19-H157 WeakPolarHBondContact CD1-NE2 3.38Å; V153-H157 PolarHBondContact O-CD2 3.19Å; V153-H157 VanDerWaalsContact O-CD2 3.28Å; V153-H157 PolarHBondContact O-N 2.84Å; I155-H157 VanDerWaalsContact C-N 3.34Å; I155-H157 PolarHBondContact O-N 2.95Å; H157-C159 VanDerWaalsContact C-N 3.32Å; H157-C159 PolarHBondContact O-N 2.85Å; H157-F160 WeakPolarHBondContact O-CB 3.41Å; H157-F160 PolarHBondContact O-N 2.75Å; H157-F160 VanDerWaalsContact O-N 3.09Å; H157-D161 PolarHBondContact O-N 2.73Å
158K90.7Very high87.6Confident104 Ų10441 Ų4145%0.45221%0.209SC..Hα-helixtrans-63.4-37.7177.4-72.9176.2-176.6179.10112.8A154 I155 F160 S162 I237A154-K158 VanDerWaalsContact O-CG 3.3Å; A154-K158 WeakPolarHBondContact O-CG 3.29Å; A154-K158 PolarHBondContact O-N 2.89Å; I155-K158 PolarHBondContact O-N 2.96Å; I155-K158 VanDerWaalsContact O-N 3.13Å; K158-F160 VanDerWaalsContact C-N 3.3Å; K158-S162 WeakPolarHBondContact O-CB 3.33Å; K158-S162 PolarHBondContact O-N 3.5Å; K158-S162 VanDerWaalsContact O-N 3.16Å; K158-I237 HydrophobicContact CB-CD1 4.2Å; K158-I237 HydrophobicContact CB-CG1 4.41Å
159C88.9Confident87.1Confident2 Ų242.9 Ų42.91%0.01422%0.22CC..Hα-helixtrans-64.5-39173.7-69.70000111.2I155 L156 H157 T165 F384 F387I155-C159 PolarHBondContact O-N 2.91Å; I155-C159 PolarHBondContact O-SG 2.78Å; L156-C159 PolarHBondContact O-N 3.41Å; H157-C159 VanDerWaalsContact C-N 3.32Å; H157-C159 PolarHBondContact O-N 2.85Å; C159-T165 WeakPolarHBondContact O-CG2 3.12Å; C159-F384 HydrophobicContact CB-CD2 4.38Å; C159-F387 HydrophobicContact CB-CD2 3.82Å; C159-F387 HydrophobicContact CB-CE2 3.75Å; C159-F387 VanDerWaalsContact SG-CD2 3.53Å
160F86.4Confident86.7Confident59 Ų5946 Ų4626%0.25924%0.241SC..Hα-helixtrans-69.6-42.2178.7-168-90.3000112.4L156 H157 K158 S162 Y380 R383L156-F160 WeakPolarHBondContact O-CB 3.46Å; L156-F160 PolarHBondContact O-N 3.23Å; H157-F160 WeakPolarHBondContact O-CB 3.41Å; H157-F160 PolarHBondContact O-N 2.75Å; H157-F160 VanDerWaalsContact O-N 3.09Å; K158-F160 VanDerWaalsContact C-N 3.3Å; F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 2.76Å; F160-Y380 HydrophobicContact CB-CD1 4.42Å; F160-Y380 HydrophobicContact CB-CE1 4.12Å; F160-Y380 AromaticContact CD2-CD1 3.88Å; F160-Y380 HydrophobicContact CD2-CD1 3.88Å; F160-Y380 AromaticContact CD2-CE1 3.7Å; F160-Y380 HydrophobicContact CD2-CE1 3.7Å; F160-Y380 HydrophobicContact CE2-CE1 4.35Å; F160-Y380 HydrophobicContact CG-CD1 4.44Å; F160-Y380 AromaticContact CG-CE1 3.99Å; F160-Y380 HydrophobicContact CG-CE1 3.99Å; F160-R383 PolarHBondContact O-NH1 2.73Å
161D88.1Confident85.8Confident118 Ų11843.2 Ų43.263%0.63123%0.228SC*.Hα-helixtrans-74.4-19.1-178.6-68.1-20.4000113.1H157 P163H157-D161 PolarHBondContact O-N 2.73Å; D161-P163 VanDerWaalsContact O-CD 3.27Å; D161-P163 WeakPolarHBondContact O-CD 3.12Å
162S88.1Confident84.7Confident11 Ų1138.1 Ų38.18%0.07721%0.205CC..  trans-68118-175.4176.70000112.7K158 F160 W164 T165K158-S162 WeakPolarHBondContact O-CB 3.33Å; K158-S162 PolarHBondContact O-N 3.5Å; K158-S162 VanDerWaalsContact O-N 3.16Å; F160-S162 VanDerWaalsContact C-N 3.29Å; F160-S162 PolarHBondContact O-N 2.76Å; S162-W164 PolarHBondContact O-N 3.1Å; S162-W164 VanDerWaalsContact O-N 3.12Å; S162-T165 PolarHBondContact O-N 2.83Å; S162-T165 PolarHBondContact O-OG1 2.96Å
163P86.9Confident83.2Confident48 Ų4842.4 Ų42.431%0.31223%0.231SC..Hα-helixtrans-59.7-25.7177.7-2434.8000114D161 T165 T166 R167D161-P163 VanDerWaalsContact O-CD 3.27Å; D161-P163 WeakPolarHBondContact O-CD 3.12Å; P163-T165 VanDerWaalsContact C-N 3.26Å; P163-T165 PolarHBondContact O-N 2.91Å; P163-T166 PolarHBondContact O-N 3.34Å; P163-T166 PolarHBondContact O-OG1 3.24Å; P163-R167 PolarHBondContact O-N 3.03Å
164W86.6Confident81.6Confident1 Ų144.4 Ų44.40%0.00425%0.249CC..Hα-helixtrans-54.4-40.5173.5175.7-111.1000113S162 T166 R167 A168 L226 A234 F238 S392 K395 L396 I399S162-W164 PolarHBondContact O-N 3.1Å; S162-W164 VanDerWaalsContact O-N 3.12Å; W164-T166 PolarHBondContact O-N 3.47Å; W164-R167 PolarHBondContact O-N 3.48Å; W164-A168 WeakPolarHBondContact O-CB 3.31Å; W164-A168 PolarHBondContact O-N 3.21Å; W164-L226 HydrophobicContact CE3-CD1 4.15Å; W164-L226 HydrophobicContact CE3-CD2 4.18Å; W164-A234 HydrophobicContact CB-CB 3.96Å; W164-A234 HydrophobicContact CG-CB 4.16Å; W164-F238 AromaticContact NE1-CE2 3.79Å; W164-F238 AromaticContact NE1-CZ 3.94Å; W164-S392 WeakPolarHBondContact CZ2-O 3.37Å; W164-K395 HydrophobicContact CH2-CB 4.23Å; W164-K395 HydrophobicContact CZ2-CB 4.39Å; W164-L396 HydrophobicContact CD2-CD1 3.88Å; W164-L396 HydrophobicContact CE3-CD1 3.74Å; W164-L396 HydrophobicContact CH2-CB 3.95Å; W164-L396 HydrophobicContact CH2-CD1 4.24Å; W164-L396 HydrophobicContact CZ2-CB 3.66Å; W164-L396 HydrophobicContact CZ2-CD1 4.36Å; W164-L396 HydrophobicContact CZ3-CB 4.5Å; W164-L396 HydrophobicContact CZ3-CD1 3.93Å; W164-I399 HydrophobicContact CH2-CD1 3.78Å; W164-I399 HydrophobicContact CZ3-CD1 3.57Å
165T85.4Confident79.8Confident0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-66.9-40.8-177.558.80000112C159 S162 P163 R167 A168 L169 R383 I386 F387C159-T165 WeakPolarHBondContact O-CG2 3.12Å; S162-T165 PolarHBondContact O-N 2.83Å; S162-T165 PolarHBondContact O-OG1 2.96Å; P163-T165 VanDerWaalsContact C-N 3.26Å; P163-T165 PolarHBondContact O-N 2.91Å; T165-R167 VanDerWaalsContact C-N 3.3Å; T165-R167 PolarHBondContact O-N 3.01Å; T165-A168 PolarHBondContact O-N 3.32Å; T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 VanDerWaalsContact O-CG 3.25Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.38Å; T165-R383 HydrophobicContact CG2-CB 4.39Å; T165-I386 HydrophobicContact CG2-CD1 4.26Å; T165-F387 HydrophobicContact CG2-CD2 3.82Å; T165-F387 HydrophobicContact CG2-CE2 3.05Å; T165-F387 HydrophobicContact CG2-CZ 3.64Å
166T84.8Confident77.7Confident64 Ų6448.6 Ų48.639%0.39326%0.26SS..Hα-helixtrans-63.7-39.5177.139.90000111.3P163 W164 S170P163-T166 PolarHBondContact O-N 3.34Å; P163-T166 PolarHBondContact O-OG1 3.24Å; W164-T166 PolarHBondContact O-N 3.47Å; T166-S170 WeakPolarHBondContact O-CB 3.43Å; T166-S170 PolarHBondContact O-N 2.8Å; T166-S170 PolarHBondContact O-OG 2.88Å
167R82.8Confident75.6Confident59 Ų5953.2 Ų53.222%0.22329%0.293CS..Hα-helixtrans-65.5-53.1175.3-179.5177.8174.7148.20.3111.8P163 W164 T165 L169 S170 E171 S224P163-R167 PolarHBondContact O-N 3.03Å; W164-R167 PolarHBondContact O-N 3.48Å; T165-R167 VanDerWaalsContact C-N 3.3Å; T165-R167 PolarHBondContact O-N 3.01Å; R167-L169 PolarHBondContact O-N 3.27Å; R167-S170 WeakPolarHBondContact CA-OG 3.09Å; R167-S170 PolarHBondContact O-N 2.82Å; R167-S170 PolarHBondContact O-OG 3.12Å; R167-E171 IonicContact CZ-OE1 3.67Å; R167-E171 IonicContact NE-OE1 3.81Å; R167-E171 PolarHBondContact NE-OE1 3.24Å; R167-E171 IonicContact NH2-OE1 2.94Å; R167-E171 PolarHBondContact O-N 3.27Å; R167-S224 PolarHBondContact NH1-O 2.84Å
168A80.5Confident73.2Confident0 Ų054.9 Ų54.90%031%0.308CS..Hα-helixtrans-57.5-35.8-179.700000112.1W164 T165 T172 I386W164-A168 WeakPolarHBondContact O-CB 3.31Å; W164-A168 PolarHBondContact O-N 3.21Å; T165-A168 PolarHBondContact O-N 3.32Å; A168-T172 PolarHBondContact O-N 3.14Å; A168-I386 HydrophobicContact CB-CD1 4.35Å; A168-I386 HydrophobicContact CB-CG2 3.78Å
169L78.7Confident70.4Confident56 Ų5657 Ų5729%0.29331%0.313SS..Hα-helixtrans-70-43.2172.6-70.1169.4000112.3T165 R167 E171 T172 V173 R383 I386T165-L169 WeakPolarHBondContact O-CB 3.46Å; T165-L169 VanDerWaalsContact O-CG 3.25Å; T165-L169 WeakPolarHBondContact O-CG 3.29Å; T165-L169 PolarHBondContact O-N 3.38Å; R167-L169 PolarHBondContact O-N 3.27Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3.33Å; L169-T172 PolarHBondContact O-N 2.74Å; L169-T172 PolarHBondContact O-OG1 2.83Å; L169-V173 WeakPolarHBondContact O-CG2 3.24Å; L169-V173 PolarHBondContact O-N 3.07Å; L169-V173 VanDerWaalsContact O-N 3.15Å; L169-R383 HydrophobicContact CD1-CG 4.02Å; L169-I386 HydrophobicContact CD1-CD1 3.92Å; L169-I386 HydrophobicContact CD2-CD1 3.74Å; L169-I386 HydrophobicContact CD2-CG1 4.36Å; L169-I386 HydrophobicContact CG-CD1 3.47Å; L169-I386 VanDerWaalsContact CG-CD1 3.47Å
170S79.3Confident67.8Low65 Ų6562.7 Ų62.746%0.45535%0.35SS..Hα-helixtrans-61.2-38177.767.20000112.9T166 R167 T172 V173 A174T166-S170 WeakPolarHBondContact O-CB 3.43Å; T166-S170 PolarHBondContact O-N 2.8Å; T166-S170 PolarHBondContact O-OG 2.88Å; R167-S170 WeakPolarHBondContact CA-OG 3.09Å; R167-S170 PolarHBondContact O-N 2.82Å; R167-S170 PolarHBondContact O-OG 3.12Å; S170-T172 PolarHBondContact O-N 3.45Å; S170-V173 PolarHBondContact O-N 2.65Å; S170-A174 PolarHBondContact O-N 3.31Å
171E68.5Low65Low46 Ų4668 Ų6822%0.21538%0.381CS..Hα-helixtrans-63.5-42.7176.7-72.1175.9-169.600110.9R167 L169 V173 A174 E175 K395R167-E171 IonicContact CZ-OE1 3.67Å; R167-E171 IonicContact NE-OE1 3.81Å; R167-E171 PolarHBondContact NE-OE1 3.24Å; R167-E171 IonicContact NH2-OE1 2.94Å; R167-E171 PolarHBondContact O-N 3.27Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3.33Å; E171-V173 VanDerWaalsContact C-N 3.27Å; E171-V173 PolarHBondContact O-N 2.97Å; E171-A174 PolarHBondContact O-N 2.77Å; E171-E175 WeakPolarHBondContact O-CG 3.23Å; E171-E175 PolarHBondContact O-N 2.94Å; E171-E175 VanDerWaalsContact O-N 3.07Å; E171-K395 IonicContact OE2-NZ 2.83Å
172T64.8Low62.3Low8 Ų872.2 Ų72.25%0.04939%0.393CS..Hα-helixtrans-64.7-29.6175.357.70000113.8A168 L169 S170 Q176 Y356A168-T172 PolarHBondContact O-N 3.14Å; L169-T172 PolarHBondContact O-N 2.74Å; L169-T172 PolarHBondContact O-OG1 2.83Å; S170-T172 PolarHBondContact O-N 3.45Å; T172-Q176 VanDerWaalsContact O-CG 3.26Å; T172-Q176 WeakPolarHBondContact O-CG 3.14Å; T172-Q176 PolarHBondContact O-N 3.49Å; T172-Y356 HydrophobicContact CG2-CD2 3.87Å; T172-Y356 HydrophobicContact CG2-CE2 3.38Å
173V58.6Low59.4Low91 Ų9180 Ų8055%0.55243%0.433SS*.Hα-helixtrans-78.8-39.8178.41750000111L169 S170 E171 Q176 S177L169-V173 WeakPolarHBondContact O-CG2 3.24Å; L169-V173 PolarHBondContact O-N 3.07Å; L169-V173 VanDerWaalsContact O-N 3.15Å; S170-V173 PolarHBondContact O-N 2.65Å; E171-V173 VanDerWaalsContact C-N 3.27Å; E171-V173 PolarHBondContact O-N 2.97Å; V173-Q176 PolarHBondContact O-N 2.82Å; V173-S177 PolarHBondContact O-N 2.96Å
174A55.9Low56.6Low54 Ų5482.3 Ų82.345%0.44645%0.451SS..Hα-helixtrans-64.1-40.5176.500000112.1S170 E171 Q176 S177S170-A174 PolarHBondContact O-N 3.31Å; E171-A174 PolarHBondContact O-N 2.77Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 2.66Å; A174-S177 PolarHBondContact O-N 3.32Å; A174-S177 PolarHBondContact O-OG 3.2Å
175E52Low53.9Low81 Ų8192.8 Ų92.838%0.37950%0.496SS..Hα-helixtrans-67.7-27.9175.3-70.9172.5-176.200112.5E171 V178 N355E171-E175 WeakPolarHBondContact O-CG 3.23Å; E171-E175 PolarHBondContact O-N 2.94Å; E171-E175 VanDerWaalsContact O-N 3.07Å; E175-V178 PolarHBondContact O-N 3.19Å; E175-N355 PolarHBondContact OE2-ND2 2.84Å
176Q47.9Very low51.2Low73 Ų7397.1 Ų97.134%0.34153%0.527SS..Hα-helixtrans-73.1-31.6176.6-80.4176.63.400113.7T172 V173 A174 V178 R179 K353T172-Q176 VanDerWaalsContact O-CG 3.26Å; T172-Q176 WeakPolarHBondContact O-CG 3.14Å; T172-Q176 PolarHBondContact O-N 3.49Å; V173-Q176 PolarHBondContact O-N 2.82Å; A174-Q176 VanDerWaalsContact C-N 3.29Å; A174-Q176 PolarHBondContact O-N 2.66Å; Q176-V178 PolarHBondContact O-N 3.11Å; Q176-R179 PolarHBondContact O-N 3.08Å; Q176-K353 PolarHBondContact NE2-O 2.96Å
177S43.3Very low48.7Very low99 Ų99104.2 Ų104.269%0.69255%0.552SS**THydrogen-bonded Turntrans-65-13.8174.143.10000113.9V173 A174V173-S177 PolarHBondContact O-N 2.96Å; A174-S177 PolarHBondContact O-N 3.32Å; A174-S177 PolarHBondContact O-OG 3.2Å
178V38.6Very low46.1Very low113 Ų113108.8 Ų108.869%0.68558%0.579SS**THydrogen-bonded Turntrans-92.5-7.5178.8-174.50000112.4E175 Q176 P180E175-V178 PolarHBondContact O-N 3.19Å; Q176-V178 PolarHBondContact O-N 3.11Å; V178-P180 WeakPolarHBondContact O-CD 3.39Å
179R31.9Very low43.6Very low148 Ų148116.5 Ų116.556%0.55862%0.62SS**SBendtrans-83119.4175.3-71.9-174177.5160.77.5110.8Q176 L181 N355Q176-R179 PolarHBondContact O-N 3.08Å; R179-L181 PolarHBondContact O-N 2.94Å; R179-N355 PolarHBondContact NH2-OD1 3.29Å
180P34Very low41.1Very low122 Ų122122 Ų12279%0.79265%0.649SS**PPolyproline II helixtrans-65.6125.3171.625.6-29.9000109.5V178 K182V178-P180 WeakPolarHBondContact O-CD 3.39Å; P180-K182 PolarHBondContact O-N 2.74Å
181L28.7Very low38.5Very low172 Ų172124.1 Ų124.190%0.90166%0.663SS**PPolyproline II helixtrans-52.5121.6177.4-81.7131.2000111.2R179 L183R179-L181 PolarHBondContact O-N 2.94Å; L181-L183 PolarHBondContact O-N 2.83Å
182K30.6Very low36.3Very low206 Ų206127 Ų12790%0.89669%0.688SS**  trans-68.4109.5164.6-77.6-178.1178.8175.80108.8P180 S184P180-K182 PolarHBondContact O-N 2.74Å; K182-S184 PolarHBondContact O-N 2.74Å
183L26.9Very low34.4Very low173 Ų173132.7 Ų132.791%0.90673%0.729SS**  trans-63.7115.2174.3-15081.2000109.8L181L181-L183 PolarHBondContact O-N 2.83Å
184S27.8Very low32.6Very low98 Ų98131.5 Ų131.569%0.68574%0.735SS**  trans-67.7136.317292.30000109.8K182 S186K182-S184 PolarHBondContact O-N 2.74Å; S184-S186 PolarHBondContact O-N 3.13Å; S184-S186 VanDerWaalsContact O-N 3.1Å
185K31.4Very low31Very low220 Ų220135.3 Ų135.396%0.95776%0.757SS**  trans-63.4107174.1-74.9176.3175.61760110.1
186S28.2Very low29.6Very low92 Ų92136.7 Ų136.764%0.64378%0.775SS**  trans-119.5120158.155.70000109.8S184 I188S184-S186 PolarHBondContact O-N 3.13Å; S184-S186 VanDerWaalsContact O-N 3.1Å; S186-I188 PolarHBondContact O-N 3.01Å
187K32.5Very low28.5Very low212 Ų212137.3 Ų137.392%0.92279%0.793SS**  trans-49.2123.5171.1-73.7169.5171.6175.50110.9
188I27.3Very low27.5Very low155 Ų155139.7 Ų139.780%0.79580%0.798SS**  trans-135.9138.8158.6-62.7-176.9000109.1S186S186-I188 PolarHBondContact O-N 3.01Å
189L28.2Very low27Very low163 Ų163141.3 Ų141.385%0.85380%0.801SS**  trans-63.8157.8-171.1-74.592.6000114.7
190L27.1Very low26.5Very low172 Ų172141.4 Ų141.490%0.90181%0.813SS**  trans-54.7143.2168.6-71.689.3000113.3
191S23.5Very low26Very low108 Ų108140.5 Ų140.576%0.75581%0.809SS**  -167.3110.3127.858.10000112.8
192S22.3Very low25.6Very low107 Ų107137.2 Ų137.275%0.74880%0.801SS**  trans46.6142135.962.10000124.8
193S24.8Very low25.3Very low128 Ų128135.8 Ų135.890%0.89579%0.794SS**  trans92.1130.3158.474.90000115.8
194G22.8Very low25.2Very low66 Ų66135.5 Ų135.568%0.6879%0.788SS**  cis165.9144.3-1.300000109.2
195C20.4Very low25Very low134 Ų134135.9 Ų135.991%0.90579%0.791SS**  trans73.9139.6170-57.20000117.7
196S23.2Very low24.5Very low109 Ų109134 Ų13476%0.76279%0.79SS**  cis-174.51461.543.10000109.5
197A25.1Very low24.4Very low86 Ų86135 Ų13571%0.71180%0.795SS**  trans33.3146.3146.500000120.8
198D21.7Very low24Very low150 Ų150135.4 Ų135.480%0.80279%0.792SS**  cis-171.4174.1-2.9-98.9-31.1000105.8
199I28.3Very low23.8Very low147 Ų147134.1 Ų134.175%0.75479%0.794SS**  trans107.9101.7151.6-49.9-175.5000118.4
200D22.8Very low23.6Very low150 Ų150134.9 Ų134.980%0.80279%0.793SS**  trans71.6126.3134-63-16.7000125.6
201S22.5Very low23.4Very low102 Ų102133.4 Ų133.471%0.71379%0.794SS**  trans-50.9145.3167.253.10000116.7
202S21.1Very low23.4Very low104 Ų104131.3 Ų131.373%0.72779%0.79SS**  177.1142105.253.60000114.1
203K24.5Very low23.5Very low176 Ų176134 Ų13477%0.76579%0.794SS**  trans83.9113.1150.9-72170.9-176.4179.10121.6
204Q24.2Very low23.5Very low166 Ų166137.2 Ų137.278%0.77680%0.796SS**  88.8101.9122.5-76.7173-23.100120.5
205S23.2Very low23.5Very low107 Ų107138.8 Ų138.875%0.74880%0.796SS**  49.4101.1127.259.60000118.8
206L21.5Very low23.8Very low179 Ų179137.5 Ų137.594%0.93780%0.795SS**  trans-65.6136.8156.9-70.2148.6000111.4
207P26.3Very low23.9Very low113 Ų113135.7 Ų135.773%0.73479%0.794SS**  trans-122.2133138.526.1-10.8000111.5
208Y22.4Very low24.1Very low221 Ų221139 Ų13987%0.86780%0.797SS**  trans30.2122.7154.3-78.8-90.1000120.4Q210Y208-Q210 PolarHBondContact O-N 3.06Å
209P24.5Very low24.2Very low128 Ų128140.7 Ų140.783%0.83180%0.801SS**  trans-77.4120.6177.730.7-30.6000112.2
210Q24.2Very low24.2Very low179 Ų179138.8 Ų138.884%0.83680%0.801SS**  trans-76.3144159.2-69.8-178.9-15.800109.6Y208 G212Y208-Q210 PolarHBondContact O-N 3.06Å; Q210-G212 PolarHBondContact O-N 3.23Å
211P22.6Very low24.5Very low141 Ų141136.6 Ų136.692%0.91680%0.795SS**SBendtrans-81.1100.6-179.731.4-29.3000109.9
212G22.5Very low24.8Very low65 Ų65138.1 Ų138.167%0.6780%0.799SS**  trans-163.190.2171.600000109.8Q210Q210-G212 PolarHBondContact O-N 3.23Å
213L24.3Very low25.7Very low162 Ų162137.8 Ų137.885%0.84880%0.797SS**  trans-162.688.4158.8-14879.4000109.9
214E24.6Very low26.6Very low197 Ų197133.8 Ų133.892%0.92179%0.792SS**  trans-114.6101.1149.4-79.6-173.8168.900106.4
215S23.9Very low28.2Very low99 Ų99129.9 Ų129.969%0.69278%0.779SS**  trans-79.6119.917553.60000109.8
216A26.9Very low30.3Very low107 Ų107125.2 Ų125.288%0.88475%0.745SS**  trans38.8120.5135.200000119.2
217G25.6Very low32.8Very low71 Ų71121.6 Ų121.673%0.73273%0.727SS**  trans130.981.2154.500000113.3
218I28Very low35.4Very low154 Ų154121.6 Ų121.679%0.7972%0.715SS**  trans-114.595.1156.3-60.9177.6000106.2S220I218-S220 PolarHBondContact O-N 3.29Å
219E24.7Very low38.4Very low187 Ų187118.6 Ų118.687%0.87471%0.707SS**  trans-54.1125.3148.3-71-179.1157.600107.2P221E219-P221 VanDerWaalsContact O-CD 3.26Å; E219-P221 WeakPolarHBondContact O-CD 3.42Å
220S27.2Very low41.2Very low107 Ų107115.6 Ų115.675%0.74868%0.682SS**  trans-52.2115.7176.1510000111I218 T222I218-S220 PolarHBondContact O-N 3.29Å; S220-T222 PolarHBondContact O-N 3.07Å
221P31Very low44.1Very low104 Ų104107 Ų10768%0.67564%0.642SS**  trans-73.1116.3160.329.8-25.8000106.3E219 S223E219-P221 VanDerWaalsContact O-CD 3.26Å; E219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-S223 PolarHBondContact O-N 2.84Å
222T28.8Very low47.2Very low133 Ų133105 Ų10582%0.81662%0.62SS**  trans-15.7111169.143.60000113.9S220 S224S220-T222 PolarHBondContact O-N 3.07Å; T222-S224 VanDerWaalsContact C-N 3.34Å; T222-S224 PolarHBondContact O-N 2.85Å
223S38.3Very low50.4Low98 Ų98107.6 Ų107.669%0.68562%0.615SS**  trans-58.890.6171.244.20000110.5P221 V225P221-S223 PolarHBondContact O-N 2.84Å; S223-V225 PolarHBondContact O-N 2.87Å
224S44.8Very low53.5Low92 Ų9299.9 Ų99.964%0.64357%0.574SS**  trans-68.687.5143.354.60000105.6R167 T222 L226R167-S224 PolarHBondContact NH1-O 2.84Å; T222-S224 VanDerWaalsContact C-N 3.34Å; T222-S224 PolarHBondContact O-N 2.85Å; S224-L226 PolarHBondContact O-N 3.39Å
225V57.4Low56.6Low84 Ų8496 Ų9651%0.50955%0.554SS.*  trans-53.5115.9172.3176.70000105.5S223 D227 N403S223-V225 PolarHBondContact O-N 2.87Å; V225-D227 PolarHBondContact O-N 3.06Å; V225-N403 WeakPolarHBondContact CG1-OD1 3.48Å
226L66.6Low59.8Low8 Ų893.2 Ų93.24%0.04254%0.537CS..  trans-59.5119.2175.2-160.898.6000105.6W164 S224 K228 E230 G231 L396 I399 N403W164-L226 HydrophobicContact CE3-CD1 4.15Å; W164-L226 HydrophobicContact CE3-CD2 4.18Å; S224-L226 PolarHBondContact O-N 3.39Å; L226-K228 PolarHBondContact O-N 3.04Å; L226-E230 HydrophobicContact CD2-CB 4.05Å; L226-E230 HydrophobicContact CG-CB 3.89Å; L226-G231 VanDerWaalsContact CD2-N 3.34Å; L226-L396 HydrophobicContact CD2-CD1 4.1Å; L226-I399 HydrophobicContact CB-CG2 4.41Å; L226-N403 PolarHBondContact O-ND2 3.32Å
227D74.1Confident62.8Low104 Ų10489 Ų8956%0.55650%0.5SS*.  trans-57.6142.8-176.9-92.5-11.9000108.8V225 K229 E230 G231V225-D227 PolarHBondContact O-N 3.06Å; D227-K229 PolarHBondContact O-N 3.43Å; D227-E230 HydrophobicContact CB-CG 4.2Å; D227-E230 WeakPolarHBondContact O-CA 3.15Å; D227-E230 WeakPolarHBondContact O-CB 3.2Å; D227-E230 PolarHBondContact O-N 2.61Å; D227-G231 PolarHBondContact O-N 2.89Å; D227-G231 VanDerWaalsContact O-N 3.07Å
228K81.2Confident65.9Low112 Ų11286 Ų8649%0.48747%0.467SS..Hα-helixtrans-48.1-37.2-179.5-175.5179.2177.8-178.80112.3L226 G231 E232L226-K228 PolarHBondContact O-N 3.04Å; K228-G231 PolarHBondContact O-N 2.85Å; K228-E232 VanDerWaalsContact CE-OE1 3.24Å; K228-E232 WeakPolarHBondContact CE-OE1 3.5Å; K228-E232 WeakPolarHBondContact O-CG 3.48Å; K228-E232 PolarHBondContact O-N 3.06Å; K228-E232 VanDerWaalsContact O-N 3.1Å
229K84.5Confident68.9Low159 Ų15983.5 Ų83.569%0.69145%0.452SS*.Hα-helixtrans-63.7-43.7176.8-67.4-178.8180175.40112.8D227 G231 Q233D227-K229 PolarHBondContact O-N 3.43Å; K229-G231 VanDerWaalsContact C-N 3.34Å; K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 WeakPolarHBondContact O-CG 3.5Å; K229-Q233 PolarHBondContact O-N 3.37Å
230E84.6Confident72.1Confident64 Ų6479.7 Ų79.730%0.29943%0.432SS..Hα-helixtrans-68.7-36.7179.7-63.7-174.8166.900111.2L226 D227 Q233 A234L226-E230 HydrophobicContact CD2-CB 4.05Å; L226-E230 HydrophobicContact CG-CB 3.89Å; D227-E230 HydrophobicContact CB-CG 4.2Å; D227-E230 WeakPolarHBondContact O-CA 3.15Å; D227-E230 WeakPolarHBondContact O-CB 3.2Å; D227-E230 PolarHBondContact O-N 2.61Å; E230-Q233 PolarHBondContact O-N 2.78Å; E230-A234 WeakPolarHBondContact O-CB 3.46Å; E230-A234 PolarHBondContact O-N 3.42Å
231G85.3Confident75.1Confident0 Ų074.7 Ų74.70%040%0.397CS..Hα-helixtrans-66.4-41176.900000113.6L226 D227 K228 K229 K235 N400L226-G231 VanDerWaalsContact CD2-N 3.34Å; D227-G231 PolarHBondContact O-N 2.89Å; D227-G231 VanDerWaalsContact O-N 3.07Å; K228-G231 PolarHBondContact O-N 2.85Å; K229-G231 VanDerWaalsContact C-N 3.34Å; G231-K235 WeakPolarHBondContact O-CB 3.28Å; G231-K235 PolarHBondContact O-N 2.91Å; G231-N400 VanDerWaalsContact CA-OD1 3.26Å; G231-N400 WeakPolarHBondContact CA-OD1 3.39Å; G231-N400 PolarHBondContact O-ND2 3.05Å
232E86.6Confident77.9Confident99 Ų9977.9 Ų77.946%0.46340%0.396SS..Hα-helixtrans-67.9-39.6173-73.3178.7-169.300111.9K228 K235 A236K228-E232 VanDerWaalsContact CE-OE1 3.24Å; K228-E232 WeakPolarHBondContact CE-OE1 3.5Å; K228-E232 WeakPolarHBondContact O-CG 3.48Å; K228-E232 PolarHBondContact O-N 3.06Å; K228-E232 VanDerWaalsContact O-N 3.1Å; E232-K235 PolarHBondContact O-N 3.14Å; E232-A236 PolarHBondContact O-N 2.88Å
233Q89.3Confident80.7Confident119 Ų11979.7 Ų79.756%0.55639%0.388SS*.Hα-helixtrans-60.4-47173.8-76.5173.76.200111.5K229 E230 K235 A236 I237K229-Q233 WeakPolarHBondContact O-CB 3.28Å; K229-Q233 WeakPolarHBondContact O-CG 3.5Å; K229-Q233 PolarHBondContact O-N 3.37Å; E230-Q233 PolarHBondContact O-N 2.78Å; Q233-K235 PolarHBondContact O-N 3.04Å; Q233-A236 PolarHBondContact O-N 2.81Å; Q233-I237 WeakPolarHBondContact O-CG1 3.27Å; Q233-I237 PolarHBondContact O-N 2.5Å
234A89.1Confident83.1Confident0 Ų075.9 Ų75.90%036%0.359CS..Hα-helixtrans-61-43.5176.900000111.4W164 E230 A236 I237 F238 F387 L396W164-A234 HydrophobicContact CB-CB 3.96Å; W164-A234 HydrophobicContact CG-CB 4.16Å; E230-A234 WeakPolarHBondContact O-CB 3.46Å; E230-A234 PolarHBondContact O-N 3.42Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 2.78Å; A234-I237 WeakPolarHBondContact O-CA 3.08Å; A234-I237 WeakPolarHBondContact O-CB 3.31Å; A234-I237 PolarHBondContact O-N 3.49Å; A234-F238 VanDerWaalsContact O-CD2 3.26Å; A234-F238 WeakPolarHBondContact O-CD2 3.21Å; A234-F238 PolarHBondContact O-N 3.39Å; A234-F387 HydrophobicContact CB-CE1 4.46Å; A234-L396 HydrophobicContact CB-CD1 4.2Å; A234-L396 HydrophobicContact CB-CD2 3.59Å
235K89.7Confident85.2Confident114 Ų11474.3 Ų74.350%0.49634%0.339SS..Hα-helixtrans-58.2-43.4175.3-176.2-178.3178.1-1780112G231 E232 Q233 I237 F238 E239 L396G231-K235 WeakPolarHBondContact O-CB 3.28Å; G231-K235 PolarHBondContact O-N 2.91Å; E232-K235 PolarHBondContact O-N 3.14Å; Q233-K235 PolarHBondContact O-N 3.04Å; K235-I237 VanDerWaalsContact C-N 3.28Å; K235-I237 PolarHBondContact O-N 3.32Å; K235-F238 PolarHBondContact O-N 3.16Å; K235-E239 PolarHBondContact O-N 3.13Å; K235-E239 VanDerWaalsContact O-N 3.17Å; K235-L396 HydrophobicContact CB-CD2 4.46Å
236A91Very high86.5Confident41 Ų4175.7 Ų75.734%0.33934%0.341SS..Hα-helixtrans-65.5-31.317600000112.5E232 Q233 A234 K240E232-A236 PolarHBondContact O-N 2.88Å; Q233-A236 PolarHBondContact O-N 2.81Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 2.78Å; A236-K240 WeakPolarHBondContact O-CB 3.47Å; A236-K240 VanDerWaalsContact O-CG 3.25Å; A236-K240 WeakPolarHBondContact O-CG 3.22Å; A236-K240 PolarHBondContact O-N 2.97Å; A236-K240 VanDerWaalsContact O-N 3.1Å
237I91.3Very high87.4Confident18 Ų1880.2 Ų80.29%0.09236%0.362CS..Hα-helixtrans-68.8-46.6174.1-66164.7000110.5K158 Q233 A234 K235 E239 K240 V241 F387K158-I237 HydrophobicContact CB-CD1 4.2Å; K158-I237 HydrophobicContact CB-CG1 4.41Å; Q233-I237 WeakPolarHBondContact O-CG1 3.27Å; Q233-I237 PolarHBondContact O-N 2.5Å; A234-I237 WeakPolarHBondContact O-CA 3.08Å; A234-I237 WeakPolarHBondContact O-CB 3.31Å; A234-I237 PolarHBondContact O-N 3.49Å; K235-I237 VanDerWaalsContact C-N 3.28Å; K235-I237 PolarHBondContact O-N 3.32Å; I237-E239 VanDerWaalsContact C-N 3.3Å; I237-E239 PolarHBondContact O-N 2.62Å; I237-K240 PolarHBondContact O-N 3.02Å; I237-K240 VanDerWaalsContact O-N 3.14Å; I237-V241 HydrophobicContact CG2-CG2 4.09Å; I237-V241 VanDerWaalsContact O-CG2 3.3Å; I237-V241 WeakPolarHBondContact O-CG2 3.49Å; I237-V241 PolarHBondContact O-N 2.81Å; I237-F387 HydrophobicContact CB-CD1 4.41Å; I237-F387 HydrophobicContact CB-CE1 4.04Å; I237-F387 HydrophobicContact CB-CZ 4.44Å; I237-F387 HydrophobicContact CD1-CZ 4.43Å; I237-F387 HydrophobicContact CG2-CD1 3.82Å; I237-F387 HydrophobicContact CG2-CD2 4.36Å; I237-F387 HydrophobicContact CG2-CE1 3.73Å; I237-F387 HydrophobicContact CG2-CE2 4.22Å; I237-F387 HydrophobicContact CG2-CG 4.15Å; I237-F387 HydrophobicContact CG2-CZ 3.93Å
238F91.1Very high87.8Confident10 Ų1075.3 Ų75.34%0.04434%0.335CS..Hα-helixtrans-53-47.6175.2-85.9-81000111.9W164 A234 K235 K240 V241 R242 F387 S392 E393 L396W164-F238 AromaticContact NE1-CE2 3.79Å; W164-F238 AromaticContact NE1-CZ 3.94Å; A234-F238 VanDerWaalsContact O-CD2 3.26Å; A234-F238 WeakPolarHBondContact O-CD2 3.21Å; A234-F238 PolarHBondContact O-N 3.39Å; K235-F238 PolarHBondContact O-N 3.16Å; F238-K240 PolarHBondContact O-N 2.9Å; F238-V241 PolarHBondContact O-N 3.16Å; F238-R242 WeakPolarHBondContact O-CB 3.21Å; F238-R242 PolarHBondContact O-N 3.06Å; F238-F387 HydrophobicContact CD1-CB 4.45Å; F238-F387 HydrophobicContact CD1-CD1 4.12Å; F238-F387 VanDerWaalsContact CD1-O 3.32Å; F238-F387 WeakPolarHBondContact CD1-O 3.4Å; F238-F387 AromaticContact CD2-CD1 3.64Å; F238-F387 HydrophobicContact CD2-CD1 3.64Å; F238-F387 AromaticContact CD2-CE1 3.95Å; F238-F387 HydrophobicContact CD2-CE1 3.95Å; F238-F387 VanDerWaalsContact CE1-CA 3.46Å; F238-F387 HydrophobicContact CE1-CB 4.31Å; F238-F387 HydrophobicContact CE1-CD1 4.02Å; F238-F387 WeakPolarHBondContact CE1-O 3.45Å; F238-F387 AromaticContact CE2-CD1 3.48Å; F238-F387 HydrophobicContact CE2-CD1 3.48Å; F238-F387 VanDerWaalsContact CE2-CD1 3.48Å; F238-F387 AromaticContact CE2-CE1 3.72Å; F238-F387 HydrophobicContact CE2-CE1 3.72Å; F238-F387 AromaticContact CG-CD1 3.94Å; F238-F387 HydrophobicContact CG-CD1 3.94Å; F238-F387 AromaticContact CZ-CD1 3.68Å; F238-F387 HydrophobicContact CZ-CD1 3.68Å; F238-F387 HydrophobicContact CZ-CE1 4.29Å; F238-F387 HydrophobicContact CZ-CG 4.47Å; F238-S392 WeakPolarHBondContact CE1-OG 3.18Å; F238-S392 WeakPolarHBondContact CZ-OG 3.44Å; F238-E393 HydrophobicContact CD1-CB 4.04Å; F238-E393 HydrophobicContact CD1-CG 4.09Å; F238-E393 HydrophobicContact CE1-CB 3.86Å; F238-E393 HydrophobicContact CE1-CG 4.37Å; F238-E393 HydrophobicContact CG-CG 4.22Å; F238-E393 HydrophobicContact CZ-CB 4.3Å; F238-L396 HydrophobicContact CD2-CD2 3.74Å; F238-L396 HydrophobicContact CE2-CD2 3.62Å
239E90.4Very high88Confident101 Ų10171.9 Ų71.947%0.47232%0.321SS..Hα-helixtrans-65.3-40.8179.3-170.7173.1-170.500112.4K235 I237 R242 R243K235-E239 PolarHBondContact O-N 3.13Å; K235-E239 VanDerWaalsContact O-N 3.17Å; I237-E239 VanDerWaalsContact C-N 3.3Å; I237-E239 PolarHBondContact O-N 2.62Å; E239-R242 PolarHBondContact O-N 2.95Å; E239-R243 WeakPolarHBondContact O-CB 3.2Å; E239-R243 WeakPolarHBondContact O-CG 3.32Å; E239-R243 PolarHBondContact O-N 3.01Å; E239-R243 IonicContact OE1-CZ 3.98Å; E239-R243 IonicContact OE1-NE 3.41Å; E239-R243 PolarHBondContact OE1-NE 2.87Å; E239-R243 IonicContact OE1-NH2 2.93Å; E239-R243 PolarHBondContact OE1-NH2 2.85Å
240K91.2Very high87.8Confident107 Ų10771.1 Ų71.147%0.46532%0.32SS..Hα-helixtrans-63.2-43.8175.1-76.7173.2-174.8174.90111.9A236 I237 F238 R243 F244A236-K240 WeakPolarHBondContact O-CB 3.47Å; A236-K240 VanDerWaalsContact O-CG 3.25Å; A236-K240 WeakPolarHBondContact O-CG 3.22Å; A236-K240 PolarHBondContact O-N 2.97Å; A236-K240 VanDerWaalsContact O-N 3.1Å; I237-K240 PolarHBondContact O-N 3.02Å; I237-K240 VanDerWaalsContact O-N 3.14Å; F238-K240 PolarHBondContact O-N 2.9Å; K240-R243 PolarHBondContact O-N 2.88Å; K240-F244 WeakPolarHBondContact O-CB 3.26Å; K240-F244 PolarHBondContact O-N 2.88Å
241V90.6Very high87.5Confident1 Ų172.3 Ų72.31%0.00632%0.324CS..Hα-helixtrans-61.1-46.8177.1170.40000110.2I155 I237 F238 F244 R245 F384 F387 L388I155-V241 HydrophobicContact CG2-CG2 3.65Å; I237-V241 HydrophobicContact CG2-CG2 4.09Å; I237-V241 VanDerWaalsContact O-CG2 3.3Å; I237-V241 WeakPolarHBondContact O-CG2 3.49Å; I237-V241 PolarHBondContact O-N 2.81Å; F238-V241 PolarHBondContact O-N 3.16Å; V241-F244 PolarHBondContact O-N 2.98Å; V241-R245 VanDerWaalsContact O-CB 3.29Å; V241-R245 WeakPolarHBondContact O-CB 3.22Å; V241-R245 PolarHBondContact O-N 2.93Å; V241-F384 HydrophobicContact CG1-CE2 4.27Å; V241-F384 HydrophobicContact CG1-CZ 3.83Å; V241-F384 HydrophobicContact CG2-CE2 4.11Å; V241-F384 HydrophobicContact CG2-CZ 4.47Å; V241-F387 HydrophobicContact CG2-CB 4.25Å; V241-L388 HydrophobicContact CG1-CD2 3.76Å
242R89.2Confident87.5Confident172 Ų17273.7 Ų73.765%0.64933%0.331SS*.Hα-helixtrans-61.1-47.2178.4-172.4176.1-179.2169.72112.4F238 E239 M246F238-R242 WeakPolarHBondContact O-CB 3.21Å; F238-R242 PolarHBondContact O-N 3.06Å; E239-R242 PolarHBondContact O-N 2.95Å; R242-M246 WeakPolarHBondContact O-CG 3.35Å; R242-M246 PolarHBondContact O-N 2.8Å
243R88.7Confident87.6Confident171 Ų17171.6 Ų71.665%0.64532%0.323SS*.Hα-helixtrans-64.4-42.8177.3-70.8179.8-174.3-164.22.8111.9E239 K240 M246 H247E239-R243 WeakPolarHBondContact O-CB 3.2Å; E239-R243 WeakPolarHBondContact O-CG 3.32Å; E239-R243 PolarHBondContact O-N 3.01Å; E239-R243 IonicContact OE1-CZ 3.98Å; E239-R243 IonicContact OE1-NE 3.41Å; E239-R243 PolarHBondContact OE1-NE 2.87Å; E239-R243 IonicContact OE1-NH2 2.93Å; E239-R243 PolarHBondContact OE1-NH2 2.85Å; K240-R243 PolarHBondContact O-N 2.88Å; R243-M246 PolarHBondContact O-N 3.44Å; R243-H247 PolarHBondContact O-N 2.7Å
244F88.8Confident87.6Confident18 Ų1866 Ų668%0.07930%0.297CS..Hα-helixtrans-65.1-42.9179.1178.8-98000111.8H151 F152 I155 K240 V241 M246 H247 V248 F366H151-F244 HydrophobicContact CB-CD2 4.02Å; H151-F244 HydrophobicContact CB-CE2 3.65Å; F152-F244 HydrophobicContact CB-CE1 4.2Å; F152-F244 HydrophobicContact CB-CZ 3.68Å; F152-F244 AromaticContact CD2-CE1 3.8Å; F152-F244 HydrophobicContact CD2-CE1 3.8Å; F152-F244 HydrophobicContact CD2-CZ 4.14Å; F152-F244 HydrophobicContact CG-CZ 4.42Å; I155-F244 HydrophobicContact CD1-CB 3.54Å; I155-F244 HydrophobicContact CD1-CD1 3.89Å; I155-F244 HydrophobicContact CD1-CD2 3.76Å; I155-F244 HydrophobicContact CD1-CE2 4.46Å; I155-F244 HydrophobicContact CD1-CG 3.43Å; I155-F244 VanDerWaalsContact CD1-CG 3.43Å; K240-F244 WeakPolarHBondContact O-CB 3.26Å; K240-F244 PolarHBondContact O-N 2.88Å; V241-F244 PolarHBondContact O-N 2.98Å; F244-M246 PolarHBondContact O-N 3.42Å; F244-H247 PolarHBondContact O-N 3.19Å; F244-H247 VanDerWaalsContact O-N 3.13Å; F244-V248 HydrophobicContact CD1-CG2 4.28Å; F244-V248 HydrophobicContact CD2-CG2 4.02Å; F244-V248 HydrophobicContact CE1-CB 4.44Å; F244-V248 HydrophobicContact CE1-CG2 3.79Å; F244-V248 HydrophobicContact CE2-CG2 3.52Å; F244-V248 HydrophobicContact CG-CG2 4.37Å; F244-V248 HydrophobicContact CZ-CB 4.42Å; F244-V248 HydrophobicContact CZ-CG2 3.39Å; F244-V248 WeakPolarHBondContact O-CG2 3.2Å; F244-V248 PolarHBondContact O-N 2.81Å; F244-F366 HydrophobicContact CD1-CD2 4.09Å; F244-F366 AromaticContact CD1-CE2 3.69Å; F244-F366 HydrophobicContact CD1-CE2 3.69Å; F244-F366 AromaticContact CE1-CD2 3.67Å; F244-F366 HydrophobicContact CE1-CD2 3.67Å; F244-F366 AromaticContact CE1-CE2 3.59Å; F244-F366 HydrophobicContact CE1-CE2 3.59Å
245R88.1Confident87.6Confident59 Ų5967.4 Ų67.422%0.22330%0.302CS..Hα-helixtrans-53.9-52.7174.2179.7-177.6177.5-166.4-0.7111.4V241 H247 V248 E249V241-R245 VanDerWaalsContact O-CB 3.29Å; V241-R245 WeakPolarHBondContact O-CB 3.22Å; V241-R245 PolarHBondContact O-N 2.93Å; R245-H247 PolarHBondContact O-N 3.32Å; R245-V248 PolarHBondContact O-N 2.93Å; R245-E249 HydrophobicContact CG-CG 4.05Å; R245-E249 WeakPolarHBondContact CG-OE1 3.41Å; R245-E249 IonicContact CZ-OE1 2.76Å; R245-E249 IonicContact NE-OE1 3.76Å; R245-E249 PolarHBondContact NE-OE1 3.12Å; R245-E249 IonicContact NE-OE2 2.71Å; R245-E249 IonicContact NH2-OE1 3.83Å; R245-E249 PolarHBondContact NH2-OE1 2.82Å; R245-E249 WeakPolarHBondContact O-CB 2.92Å; R245-E249 WeakPolarHBondContact O-CG 3.45Å; R245-E249 PolarHBondContact O-N 3.12Å
246M85.1Confident87.6Confident112 Ų11269.3 Ų69.355%0.55231%0.306SS*.Hα-helixtrans-58.5-34.6178.7-70.2-62.1-63.700112.9R242 R243 F244 Q250R242-M246 WeakPolarHBondContact O-CG 3.35Å; R242-M246 PolarHBondContact O-N 2.8Å; R243-M246 PolarHBondContact O-N 3.44Å; F244-M246 PolarHBondContact O-N 3.42Å; M246-Q250 WeakPolarHBondContact O-CG 3.46Å
247H85Confident87.6Confident104 Ų10468.4 Ų68.448%0.48130%0.297SS..Hα-helixtrans-76.4-37.5-179.5-171.577.7000113.5R243 F244 R245R243-H247 PolarHBondContact O-N 2.7Å; F244-H247 PolarHBondContact O-N 3.19Å; F244-H247 VanDerWaalsContact O-N 3.13Å; R245-H247 PolarHBondContact O-N 3.32Å
248V84.1Confident87.5Confident0 Ų067.6 Ų67.60%029%0.293CS..Hα-helixtrans-88-35.2-174.7-179.20000112.5F244 R245 Q250 K251 D365 F366 I369F244-V248 HydrophobicContact CD1-CG2 4.28Å; F244-V248 HydrophobicContact CD2-CG2 4.02Å; F244-V248 HydrophobicContact CE1-CB 4.44Å; F244-V248 HydrophobicContact CE1-CG2 3.79Å; F244-V248 HydrophobicContact CE2-CG2 3.52Å; F244-V248 HydrophobicContact CG-CG2 4.37Å; F244-V248 HydrophobicContact CZ-CB 4.42Å; F244-V248 HydrophobicContact CZ-CG2 3.39Å; F244-V248 WeakPolarHBondContact O-CG2 3.2Å; F244-V248 PolarHBondContact O-N 2.81Å; R245-V248 PolarHBondContact O-N 2.93Å; V248-Q250 PolarHBondContact O-N 3.21Å; V248-Q250 VanDerWaalsContact O-N 3.13Å; V248-K251 PolarHBondContact O-N 2.83Å; V248-D365 HydrophobicContact CG1-CB 3.82Å; V248-F366 HydrophobicContact CB-CB 4.35Å; V248-F366 HydrophobicContact CB-CD2 4.34Å; V248-F366 HydrophobicContact CG1-CB 3.85Å; V248-F366 HydrophobicContact CG1-CD2 4.37Å; V248-I369 HydrophobicContact CG1-CD1 4.43Å
249E84.1Confident87.5Confident40 Ų4068.7 Ų68.719%0.18730%0.299CS..THydrogen-bonded Turntrans-61.4-23.3-179.8-78-176.7168.200113.4R245 K251 V362 N364 F366R245-E249 HydrophobicContact CG-CG 4.05Å; R245-E249 WeakPolarHBondContact CG-OE1 3.41Å; R245-E249 IonicContact CZ-OE1 2.76Å; R245-E249 IonicContact NE-OE1 3.76Å; R245-E249 PolarHBondContact NE-OE1 3.12Å; R245-E249 IonicContact NE-OE2 2.71Å; R245-E249 IonicContact NH2-OE1 3.83Å; R245-E249 PolarHBondContact NH2-OE1 2.82Å; R245-E249 WeakPolarHBondContact O-CB 2.92Å; R245-E249 WeakPolarHBondContact O-CG 3.45Å; R245-E249 PolarHBondContact O-N 3.12Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.7Å; E249-V362 HydrophobicContact CG-CG1 3.99Å; E249-V362 VanDerWaalsContact OE1-CG1 3.25Å; E249-V362 WeakPolarHBondContact OE1-CG1 3.49Å; E249-N364 WeakPolarHBondContact O-CB 3.48Å; E249-N364 PolarHBondContact O-ND2 3.47Å; E249-F366 HydrophobicContact CG-CB 4.42Å
250Q79.9Confident87.5Confident143 Ų14370.8 Ų70.867%0.66831%0.306SS*.THydrogen-bonded Turntrans-73.9-11.6-177.1-69.2179.2-4.200114.4M246 V248M246-Q250 WeakPolarHBondContact O-CG 3.46Å; V248-Q250 PolarHBondContact O-N 3.21Å; V248-Q250 VanDerWaalsContact O-N 3.13Å
251K79.8Confident87.5Confident89 Ų8966.2 Ų66.239%0.38729%0.286SS..  trans-134152.4-168.7-67.9176.1-178.4173.80112.1V248 E249 I253 D365V248-K251 PolarHBondContact O-N 2.83Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.7Å; K251-I253 HydrophobicContact CB-CD1 4.5Å; K251-I253 HydrophobicContact CB-CG1 4.35Å; K251-I253 HydrophobicContact CD-CD1 4.16Å; K251-D365 WeakPolarHBondContact O-CB 3.37Å; K251-D365 PolarHBondContact O-N 3.17Å; K251-D365 VanDerWaalsContact O-OD2 3.05Å
252D84.4Confident87.6Confident29 Ų2966.2 Ų66.216%0.15529%0.286CS..  trans-119.629-178.8-86.13.9000111.8R256 K343 N364 D365D252-R256 WeakPolarHBondContact O-CB 3.39Å; D252-R256 WeakPolarHBondContact O-CD 3.46Å; D252-R256 WeakPolarHBondContact O-CG 3.38Å; D252-R256 PolarHBondContact O-N 2.82Å; D252-K343 IonicContact OD2-NZ 3.91Å; D252-K343 PolarHBondContact OD2-NZ 3.02Å; D252-N364 WeakPolarHBondContact OD1-CA 3.38Å; D252-N364 WeakPolarHBondContact OD1-CB 3.44Å; D252-N364 PolarHBondContact OD1-OD1 2.99Å; D252-D365 WeakPolarHBondContact CA-OD1 3.45Å
253I88.4Confident87.7Confident56 Ų5661.5 Ų61.529%0.28727%0.273SS..Hα-helixtrans-74.7-43.7-170.4-59.6175.6000110.4T145 K251 R256 V257 D365T145-I253 HydrophobicContact CG2-CG2 3.91Å; K251-I253 HydrophobicContact CB-CD1 4.5Å; K251-I253 HydrophobicContact CB-CG1 4.35Å; K251-I253 HydrophobicContact CD-CD1 4.16Å; I253-R256 PolarHBondContact O-N 3.41Å; I253-V257 HydrophobicContact CG2-CG2 4.21Å; I253-V257 VanDerWaalsContact O-CG2 3.28Å; I253-V257 WeakPolarHBondContact O-CG2 3.24Å; I253-V257 PolarHBondContact O-N 3.2Å; I253-D365 VanDerWaalsContact N-CG 3.34Å; I253-D365 PolarHBondContact N-OD1 3.02Å; I253-D365 VanDerWaalsContact N-OD1 3.15Å; I253-D365 PolarHBondContact N-OD2 3.04Å
254I89.7Confident87.9Confident0 Ų056.8 Ų56.80%026%0.263CS..Hα-helixtrans-66.7-48.2-174.3-64.4167.3000109.8W139 T145 R148 L149 R256 V257 Y258 D365 F368 I369W139-I254 HydrophobicContact CE3-CG2 4.16Å; W139-I254 HydrophobicContact CZ3-CG2 4.18Å; T145-I254 HydrophobicContact CG2-CG1 3.77Å; R148-I254 HydrophobicContact CB-CD1 4.01Å; L149-I254 HydrophobicContact CD2-CD1 4.11Å; L149-I254 HydrophobicContact CD2-CG2 4.36Å; L149-I254 HydrophobicContact CG-CD1 4.37Å; I254-R256 VanDerWaalsContact C-N 3.32Å; I254-R256 PolarHBondContact O-N 3.13Å; I254-V257 PolarHBondContact O-N 2.66Å; I254-Y258 WeakPolarHBondContact O-CB 3.36Å; I254-Y258 PolarHBondContact O-N 3.46Å; I254-D365 HydrophobicContact CB-CB 4.45Å; I254-D365 HydrophobicContact CD1-CB 4.42Å; I254-D365 PolarHBondContact N-OD1 2.93Å; I254-D365 PolarHBondContact N-OD2 3.23Å; I254-F368 HydrophobicContact CG2-CD1 3.96Å; I254-F368 HydrophobicContact CG2-CE1 3.97Å; I254-I369 HydrophobicContact CD1-CD1 3.65Å; I254-I369 HydrophobicContact CD1-CG1 4.35Å; I254-I369 HydrophobicContact CG2-CG1 4.37Å
255Y89.9Confident88Confident30 Ų3056 Ų5612%0.11826%0.26CS..Hα-helixtrans-57.2-44.7176.1173.8-98.5000111.9L259 M337 L342 D365 F368Y255-L259 HydrophobicContact CE1-CD2 4.25Å; Y255-L259 WeakPolarHBondContact O-CB 3.27Å; Y255-L259 PolarHBondContact O-N 2.84Å; Y255-M337 HydrophobicContact CD2-CE 3.8Å; Y255-M337 HydrophobicContact CE2-CE 3.44Å; Y255-M337 VanDerWaalsContact CE2-CE 3.44Å; Y255-L342 HydrophobicContact CE2-CB 4.2Å; Y255-L342 HydrophobicContact CE2-CD1 4.5Å; Y255-D365 PolarHBondContact N-OD1 2.87Å; Y255-D365 VanDerWaalsContact N-OD1 3.09Å; Y255-F368 HydrophobicContact CD2-CB 4.45Å; Y255-F368 AromaticContact CD2-CD2 3.7Å; Y255-F368 HydrophobicContact CD2-CD2 3.7Å; Y255-F368 HydrophobicContact CD2-CE2 4.05Å; Y255-F368 AromaticContact CD2-CG 3.97Å; Y255-F368 HydrophobicContact CD2-CG 3.97Å; Y255-F368 HydrophobicContact CE2-CD2 4.44Å
256R89.1Confident88.3Confident154 Ų15454.4 Ų54.458%0.58126%0.256SS*.Hα-helixtrans-66-42.1-179.6-75.6176.4-176.4-150.61.1112.8D252 I253 I254 K260D252-R256 WeakPolarHBondContact O-CB 3.39Å; D252-R256 WeakPolarHBondContact O-CD 3.46Å; D252-R256 WeakPolarHBondContact O-CG 3.38Å; D252-R256 PolarHBondContact O-N 2.82Å; I253-R256 PolarHBondContact O-N 3.41Å; I254-R256 VanDerWaalsContact C-N 3.32Å; I254-R256 PolarHBondContact O-N 3.13Å; R256-K260 WeakPolarHBondContact O-CB 3.29Å; R256-K260 VanDerWaalsContact O-CG 3.3Å; R256-K260 WeakPolarHBondContact O-CG 3.46Å; R256-K260 PolarHBondContact O-N 2.97Å
257V90.1Very high88.7Confident23 Ų2353 Ų5314%0.13925%0.254CS..Hα-helixtrans-65.3-46.5178.9172.80000110F138 W139 T145 I253 I254 L259 K260 Q261F138-V257 HydrophobicContact CD1-CG1 3.76Å; F138-V257 HydrophobicContact CE1-CG1 3.9Å; W139-V257 HydrophobicContact CB-CG1 3.69Å; T145-V257 HydrophobicContact CG2-CG2 4.33Å; I253-V257 HydrophobicContact CG2-CG2 4.21Å; I253-V257 VanDerWaalsContact O-CG2 3.28Å; I253-V257 WeakPolarHBondContact O-CG2 3.24Å; I253-V257 PolarHBondContact O-N 3.2Å; I254-V257 PolarHBondContact O-N 2.66Å; V257-L259 PolarHBondContact O-N 3.22Å; V257-K260 PolarHBondContact O-N 2.97Å; V257-Q261 WeakPolarHBondContact O-CB 3.23Å; V257-Q261 PolarHBondContact O-N 3.14Å
258Y90Very high89Confident1 Ų149.3 Ų49.30%0.00424%0.238CC..Hα-helixtrans-64.3-41.2179.9-169-92.6000112.4W24 D25 W139 I254 Q261 I262 M337 F368W24-Y258 PolarHBondContact NE1-OH 3.06Å; W24-Y258 VanDerWaalsContact NE1-OH 3.16Å; D25-Y258 PolarHBondContact OD2-OH 2.68Å; W139-Y258 AromaticContact CD2-CD2 3.99Å; W139-Y258 HydrophobicContact CD2-CD2 3.99Å; W139-Y258 AromaticContact CE2-CD2 3.84Å; W139-Y258 HydrophobicContact CG-CD2 4.22Å; W139-Y258 HydrophobicContact CZ2-CD2 4.26Å; W139-Y258 HydrophobicContact CZ2-CE2 4.2Å; W139-Y258 AromaticContact NE1-CD2 3.96Å; I254-Y258 WeakPolarHBondContact O-CB 3.36Å; I254-Y258 PolarHBondContact O-N 3.46Å; Y258-Q261 WeakPolarHBondContact O-CB 3.31Å; Y258-Q261 PolarHBondContact O-N 2.66Å; Y258-I262 HydrophobicContact CD1-CD1 3.76Å; Y258-I262 HydrophobicContact CE1-CD1 3.33Å; Y258-I262 HydrophobicContact CE1-CG1 4.4Å; Y258-I262 PolarHBondContact O-N 3.42Å; Y258-I262 VanDerWaalsContact O-N 3.17Å; Y258-M337 HydrophobicContact CD1-CE 3.88Å; Y258-M337 HydrophobicContact CD1-SD 3.5Å; Y258-M337 VanDerWaalsContact CD1-SD 3.5Å; Y258-M337 HydrophobicContact CE1-CE 4.5Å; Y258-M337 HydrophobicContact CE1-SD 3.64Å; Y258-F368 HydrophobicContact CD1-CE1 4.39Å; Y258-F368 HydrophobicContact CD1-CE2 4.32Å; Y258-F368 AromaticContact CD1-CZ 3.52Å; Y258-F368 HydrophobicContact CD1-CZ 3.52Å; Y258-F368 HydrophobicContact CE1-CZ 4.08Å; Y258-F368 HydrophobicContact CG-CE1 4.22Å; Y258-F368 AromaticContact CG-CZ 3.78Å; Y258-F368 HydrophobicContact CG-CZ 3.78Å
259L90.8Very high89.5Confident33 Ų3350.7 Ų50.717%0.17324%0.244CC..Hα-helixtrans-61.6-48.3174.1-179.764.9000112Y255 V257 Q261 I262 I263 L334 M337Y255-L259 HydrophobicContact CE1-CD2 4.25Å; Y255-L259 WeakPolarHBondContact O-CB 3.27Å; Y255-L259 PolarHBondContact O-N 2.84Å; V257-L259 PolarHBondContact O-N 3.22Å; L259-Q261 VanDerWaalsContact C-N 3.29Å; L259-Q261 PolarHBondContact O-N 3.45Å; L259-I262 PolarHBondContact O-N 2.9Å; L259-I263 HydrophobicContact CD1-CD1 4.29Å; L259-I263 HydrophobicContact CG-CD1 3.98Å; L259-I263 WeakPolarHBondContact O-CG1 3.33Å; L259-I263 PolarHBondContact O-N 3.43Å; L259-L334 HydrophobicContact CD1-CD1 3.9Å; L259-M337 HydrophobicContact CB-CE 4.03Å; L259-M337 HydrophobicContact CD1-CE 4.21Å; L259-M337 HydrophobicContact CD1-SD 4.41Å
260K90.8Very high89.9Confident145 Ų14552.4 Ų52.463%0.6326%0.257SS*.Hα-helixtrans-60.7-39.8178.6-76.7-179.8177.9-172.10111.8R256 V257 I262 I263 V264R256-K260 WeakPolarHBondContact O-CB 3.29Å; R256-K260 VanDerWaalsContact O-CG 3.3Å; R256-K260 WeakPolarHBondContact O-CG 3.46Å; R256-K260 PolarHBondContact O-N 2.97Å; V257-K260 PolarHBondContact O-N 2.97Å; K260-I262 PolarHBondContact O-N 2.83Å; K260-I263 PolarHBondContact O-N 3.22Å; K260-V264 WeakPolarHBondContact O-CG2 3.27Å; K260-V264 PolarHBondContact O-N 3.08Å
261Q91.7Very high90.6Very high11 Ų1150.3 Ų50.35%0.05125%0.25CC..Hα-helixtrans-59.3-45.7176.6170.6-179.8-37.800112C135 S136 V257 Y258 L259 V264 K265C135-Q261 HydrophobicContact CB-CG 4.49Å; C135-Q261 WeakPolarHBondContact O-CG 3.44Å; C135-Q261 PolarHBondContact O-NE2 3.32Å; C135-Q261 VanDerWaalsContact O-NE2 3.14Å; C135-Q261 PolarHBondContact O-OE1 2.77Å; S136-Q261 VanDerWaalsContact CA-NE2 3.3Å; S136-Q261 PolarHBondContact O-NE2 2.84Å; V257-Q261 WeakPolarHBondContact O-CB 3.23Å; V257-Q261 PolarHBondContact O-N 3.14Å; Y258-Q261 WeakPolarHBondContact O-CB 3.31Å; Y258-Q261 PolarHBondContact O-N 2.66Å; L259-Q261 VanDerWaalsContact C-N 3.29Å; L259-Q261 PolarHBondContact O-N 3.45Å; Q261-V264 PolarHBondContact O-N 2.88Å; Q261-K265 WeakPolarHBondContact O-CG 3.41Å; Q261-K265 PolarHBondContact O-N 3Å
262I91.3Very high91.2Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-66.7-41177.9-67.7167.5000111W28 Y258 L259 K260 V264 K265 V266 L334 M337W28-I262 HydrophobicContact CH2-CD1 4.46Å; W28-I262 HydrophobicContact CH2-CG1 4.31Å; Y258-I262 HydrophobicContact CD1-CD1 3.76Å; Y258-I262 HydrophobicContact CE1-CD1 3.33Å; Y258-I262 HydrophobicContact CE1-CG1 4.4Å; Y258-I262 PolarHBondContact O-N 3.42Å; Y258-I262 VanDerWaalsContact O-N 3.17Å; L259-I262 PolarHBondContact O-N 2.9Å; K260-I262 PolarHBondContact O-N 2.83Å; I262-V264 VanDerWaalsContact C-N 3.33Å; I262-V264 PolarHBondContact O-N 2.83Å; I262-K265 WeakPolarHBondContact O-CB 3.48Å; I262-K265 PolarHBondContact O-N 2.83Å; I262-V266 HydrophobicContact CG2-CG2 4.4Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 2.99Å; I262-L334 HydrophobicContact CG2-CB 3.66Å; I262-L334 HydrophobicContact CG2-CD1 4.03Å; I262-L334 HydrophobicContact CG2-CG 4.34Å; I262-M337 HydrophobicContact CD1-SD 3.55Å; I262-M337 VanDerWaalsContact CD1-SD 3.55Å
263I92.7Very high91.6Very high74 Ų7447.1 Ų47.138%0.37924%0.237SC..Hα-helixtrans-58.5-46.5176-67.5167.1000110.6L259 K260 K265 V266 V267 L334L259-I263 HydrophobicContact CD1-CD1 4.29Å; L259-I263 HydrophobicContact CG-CD1 3.98Å; L259-I263 WeakPolarHBondContact O-CG1 3.33Å; L259-I263 PolarHBondContact O-N 3.43Å; K260-I263 PolarHBondContact O-N 3.22Å; I263-K265 VanDerWaalsContact C-N 3.33Å; I263-K265 PolarHBondContact O-N 3.28Å; I263-V266 PolarHBondContact O-N 3.05Å; I263-V267 HydrophobicContact CG2-CG2 4.42Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.05Å; I263-L334 HydrophobicContact CG1-CD1 3.94Å
264V92.6Very high91.7Very high72 Ų7249.1 Ų49.144%0.43625%0.251SS..Hα-helixtrans-60.9-41.3177.2171.70000111.4K260 Q261 I262 V267 L268K260-V264 WeakPolarHBondContact O-CG2 3.27Å; K260-V264 PolarHBondContact O-N 3.08Å; Q261-V264 PolarHBondContact O-N 2.88Å; I262-V264 VanDerWaalsContact C-N 3.33Å; I262-V264 PolarHBondContact O-N 2.83Å; V264-V267 PolarHBondContact O-N 2.78Å; V264-L268 WeakPolarHBondContact O-CB 3.39Å; V264-L268 PolarHBondContact O-N 2.82Å
265K91.4Very high91.7Very high1 Ų151.8 Ų51.80%0.00426%0.262CS..Hα-helixtrans-60.5-45.6175.7-72.7174.6176.1-1660112.2W28 F132 C135 S136 Q261 I262 I263 L268 F269 Y326W28-K265 VanDerWaalsContact CZ3-NZ 3.31Å; F132-K265 HydrophobicContact CD1-CG 4.41Å; C135-K265 HydrophobicContact CB-CG 4.39Å; S136-K265 WeakPolarHBondContact OG-CE 3.39Å; S136-K265 PolarHBondContact OG-NZ 3.43Å; Q261-K265 WeakPolarHBondContact O-CG 3.41Å; Q261-K265 PolarHBondContact O-N 3Å; I262-K265 WeakPolarHBondContact O-CB 3.48Å; I262-K265 PolarHBondContact O-N 2.83Å; I263-K265 VanDerWaalsContact C-N 3.33Å; I263-K265 PolarHBondContact O-N 3.28Å; K265-L268 PolarHBondContact O-N 2.89Å; K265-F269 VanDerWaalsContact O-CB 3.32Å; K265-F269 WeakPolarHBondContact O-CB 3.42Å; K265-F269 PolarHBondContact O-N 2.87Å; K265-Y326 HydrophobicContact CB-CE1 4.28Å; K265-Y326 HydrophobicContact CD-CE1 4.32Å; K265-Y326 WeakPolarHBondContact CD-OH 3.1Å; K265-Y326 WeakPolarHBondContact CE-OH 3.38Å; K265-Y326 HydrophobicContact CG-CE1 4.34Å; K265-Y326 PolarHBondContact NZ-OH 3.43Å
266V93.9Very high91.7Very high25 Ų2550.4 Ų50.415%0.15226%0.257CS..Hα-helixtrans-66.3-41.7179.6174.30000111I262 I263 F269 V270 L334I262-V266 HydrophobicContact CG2-CG2 4.4Å; I262-V266 WeakPolarHBondContact O-CG2 3.49Å; I262-V266 PolarHBondContact O-N 2.99Å; I263-V266 PolarHBondContact O-N 3.05Å; V266-F269 WeakPolarHBondContact O-CB 3.37Å; V266-F269 PolarHBondContact O-N 3.02Å; V266-V270 WeakPolarHBondContact O-CG2 3.42Å; V266-V270 PolarHBondContact O-N 2.82Å; V266-L334 HydrophobicContact CG2-CD2 4.19Å
267V93.5Very high91.7Very high82 Ų8245.6 Ų45.650%0.49725%0.245SC..Hα-helixtrans-61.6-46.7175.2171.40000110.9I263 V264 F269 V270 L271I263-V267 HydrophobicContact CG2-CG2 4.42Å; I263-V267 WeakPolarHBondContact O-CG2 3.4Å; I263-V267 PolarHBondContact O-N 3.05Å; V264-V267 PolarHBondContact O-N 2.78Å; V267-F269 VanDerWaalsContact C-N 3.32Å; V267-F269 PolarHBondContact O-N 3.07Å; V267-V270 PolarHBondContact O-N 3.34Å; V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 WeakPolarHBondContact O-CG 3.06Å; V267-L271 PolarHBondContact O-N 3.41Å
268L91.8Very high91.7Very high28 Ų2850.6 Ų50.615%0.14726%0.262CS..Hα-helixtrans-63.3-39.7178.2-174.561.1000111.9I131 F132 V264 K265 L271 I272I131-L268 HydrophobicContact CB-CD2 4.01Å; I131-L268 HydrophobicContact CG2-CD2 3.48Å; I131-L268 VanDerWaalsContact CG2-CD2 3.48Å; F132-L268 HydrophobicContact CD1-CD2 3.89Å; F132-L268 HydrophobicContact CD2-CD2 4.47Å; F132-L268 HydrophobicContact CE1-CB 4Å; F132-L268 HydrophobicContact CE1-CD2 3.58Å; F132-L268 HydrophobicContact CE1-CG 3.9Å; F132-L268 HydrophobicContact CE2-CD2 4.2Å; F132-L268 HydrophobicContact CE2-CG 4.48Å; F132-L268 HydrophobicContact CG-CD2 4.33Å; F132-L268 HydrophobicContact CZ-CB 4.22Å; F132-L268 HydrophobicContact CZ-CD2 3.75Å; F132-L268 HydrophobicContact CZ-CG 3.78Å; V264-L268 WeakPolarHBondContact O-CB 3.39Å; V264-L268 PolarHBondContact O-N 2.82Å; K265-L268 PolarHBondContact O-N 2.89Å; L268-L271 PolarHBondContact O-N 3.38Å; L268-I272 HydrophobicContact CD1-CD1 4.12Å; L268-I272 HydrophobicContact CD1-CG1 4.35Å; L268-I272 HydrophobicContact CG-CD1 3.84Å; L268-I272 HydrophobicContact CG-CG1 4.46Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.19Å; L268-I272 PolarHBondContact O-N 3.06Å
269F93.6Very high91.7Very high29 Ų2952.6 Ų52.613%0.12727%0.271CS..Hα-helixtrans-57.1-50.1173.1159.2-110.2000112.1K265 V266 V267 L271 I272 I273 V323 G327K265-F269 VanDerWaalsContact O-CB 3.32Å; K265-F269 WeakPolarHBondContact O-CB 3.42Å; K265-F269 PolarHBondContact O-N 2.87Å; V266-F269 WeakPolarHBondContact O-CB 3.37Å; V266-F269 PolarHBondContact O-N 3.02Å; V267-F269 VanDerWaalsContact C-N 3.32Å; V267-F269 PolarHBondContact O-N 3.07Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 PolarHBondContact O-N 3Å; F269-I272 PolarHBondContact O-N 3.04Å; F269-I273 HydrophobicContact CD2-CG1 4.06Å; F269-I273 HydrophobicContact CE2-CB 4.43Å; F269-I273 HydrophobicContact CE2-CG1 3.51Å; F269-I273 HydrophobicContact CZ-CG1 4.16Å; F269-I273 PolarHBondContact O-N 3.07Å; F269-V323 HydrophobicContact CD2-CG1 3.69Å; F269-V323 VanDerWaalsContact CD2-O 3.29Å; F269-V323 WeakPolarHBondContact CD2-O 3.47Å; F269-V323 HydrophobicContact CE2-CG1 4.16Å; F269-V323 WeakPolarHBondContact CE2-O 3.46Å; F269-G327 VanDerWaalsContact CD2-CA 3.44Å; F269-G327 VanDerWaalsContact CG-CA 3.46Å
270V93.6Very high91.5Very high76 Ų7652.4 Ų52.446%0.46127%0.27SS..Hα-helixtrans-61.3-42.4179.2171.60000111.1V266 V267 T274V266-V270 WeakPolarHBondContact O-CG2 3.42Å; V266-V270 PolarHBondContact O-N 2.82Å; V267-V270 PolarHBondContact O-N 3.34Å; V270-T274 WeakPolarHBondContact O-CB 3.37Å; V270-T274 PolarHBondContact O-N 2.89Å; V270-T274 VanDerWaalsContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.01Å
271L93.1Very high91.2Very high98 Ų9850.4 Ų50.451%0.51327%0.271SS..Hα-helixtrans-58.6-54.4175.5-70.4171.7000111V267 L268 F269 I273 T274 Y275V267-L271 HydrophobicContact CG1-CD1 4.21Å; V267-L271 WeakPolarHBondContact O-CG 3.06Å; V267-L271 PolarHBondContact O-N 3.41Å; L268-L271 PolarHBondContact O-N 3.38Å; F269-L271 VanDerWaalsContact C-N 3.33Å; F269-L271 PolarHBondContact O-N 3Å; L271-I273 VanDerWaalsContact C-N 3.35Å; L271-I273 PolarHBondContact O-N 2.9Å; L271-T274 PolarHBondContact O-N 2.85Å; L271-T274 VanDerWaalsContact O-N 3.1Å; L271-Y275 WeakPolarHBondContact O-CD1 3.49Å; L271-Y275 PolarHBondContact O-N 2.8Å
272I92.6Very high91Very high2 Ų255.1 Ų55.11%0.0129%0.288CS..Hα-helixtrans-59.6-44.3-176.8-65.9168.4000111.4H128 F132 L268 F269 T274 Y275 V276 Y319 V323H128-I272 HydrophobicContact CB-CD1 3.87Å; F132-I272 HydrophobicContact CE2-CD1 3.6Å; F132-I272 HydrophobicContact CZ-CD1 3.74Å; L268-I272 HydrophobicContact CD1-CD1 4.12Å; L268-I272 HydrophobicContact CD1-CG1 4.35Å; L268-I272 HydrophobicContact CG-CD1 3.84Å; L268-I272 HydrophobicContact CG-CG1 4.46Å; L268-I272 VanDerWaalsContact O-CG1 3.24Å; L268-I272 WeakPolarHBondContact O-CG1 3.19Å; L268-I272 PolarHBondContact O-N 3.06Å; F269-I272 PolarHBondContact O-N 3.04Å; I272-T274 VanDerWaalsContact C-N 3.26Å; I272-T274 PolarHBondContact O-N 2.87Å; I272-Y275 HydrophobicContact CG1-CE1 4.23Å; I272-Y275 PolarHBondContact O-N 2.96Å; I272-V276 HydrophobicContact CG2-CB 4.44Å; I272-V276 HydrophobicContact CG2-CG2 3.77Å; I272-V276 VanDerWaalsContact O-CB 3.27Å; I272-V276 WeakPolarHBondContact O-CB 3.39Å; I272-V276 WeakPolarHBondContact O-CG2 3.46Å; I272-V276 PolarHBondContact O-N 2.99Å; I272-Y319 HydrophobicContact CG2-CE1 3.98Å; I272-V323 HydrophobicContact CB-CG1 4.26Å; I272-V323 HydrophobicContact CG2-CG1 3.89Å; I272-V323 HydrophobicContact CG2-CG2 4.13Å
273I92.6Very high90.7Very high50 Ų5055.3 Ų55.326%0.25629%0.29SS..Hα-helixtrans-66.8-27.8179.1-84.5-69.6000113.2F269 L271 P277 V320 V323 I324F269-I273 HydrophobicContact CD2-CG1 4.06Å; F269-I273 HydrophobicContact CE2-CB 4.43Å; F269-I273 HydrophobicContact CE2-CG1 3.51Å; F269-I273 HydrophobicContact CZ-CG1 4.16Å; F269-I273 PolarHBondContact O-N 3.07Å; L271-I273 VanDerWaalsContact C-N 3.35Å; L271-I273 PolarHBondContact O-N 2.9Å; I273-P277 WeakPolarHBondContact O-CD 3.44Å; I273-P277 VanDerWaalsContact O-CG 3.25Å; I273-P277 WeakPolarHBondContact O-CG 3.49Å; I273-V320 HydrophobicContact CD1-CG1 3.72Å; I273-V323 HydrophobicContact CG1-CG1 4.05Å; I273-I324 HydrophobicContact CD1-CD1 3.97Å; I273-I324 HydrophobicContact CD1-CG1 3.44Å; I273-I324 VanDerWaalsContact CD1-CG1 3.44Å; I273-I324 HydrophobicContact CG1-CG1 4.27Å
274T90.5Very high90.4Very high97 Ų9755 Ų5560%0.59529%0.291SS*.Hα-helixtrans-74.6-44.9179.4-55.60000111V270 L271 I272V270-T274 WeakPolarHBondContact O-CB 3.37Å; V270-T274 PolarHBondContact O-N 2.89Å; V270-T274 VanDerWaalsContact O-N 3.11Å; V270-T274 PolarHBondContact O-OG1 3.01Å; L271-T274 PolarHBondContact O-N 2.85Å; L271-T274 VanDerWaalsContact O-N 3.1Å; I272-T274 VanDerWaalsContact C-N 3.26Å; I272-T274 PolarHBondContact O-N 2.87Å
275Y90.8Very high90.1Very high56 Ų5655.1 Ų55.122%0.2229%0.289CS..Hα-helixtrans-96-32.5-169.483.1-108.7000114.1F117 L124 H128 L271 I272 Y278 F279F117-Y275 HydrophobicContact CE2-CE2 4.36Å; L124-Y275 HydrophobicContact CD2-CE2 3.7Å; L124-Y275 VanDerWaalsContact CD2-OH 3.25Å; L124-Y275 WeakPolarHBondContact CD2-OH 3.17Å; L124-Y275 WeakPolarHBondContact CG-OH 3.45Å; H128-Y275 AromaticContact CE1-CZ 3.7Å; H128-Y275 PolarHBondContact CE1-OH 3.07Å; H128-Y275 AromaticContact NE2-CZ 3.82Å; H128-Y275 PolarHBondContact NE2-OH 2.89Å; L271-Y275 WeakPolarHBondContact O-CD1 3.49Å; L271-Y275 PolarHBondContact O-N 2.8Å; I272-Y275 HydrophobicContact CG1-CE1 4.23Å; I272-Y275 PolarHBondContact O-N 2.96Å; Y275-Y278 WeakPolarHBondContact O-CB 3.43Å; Y275-Y278 PolarHBondContact O-N 3.04Å; Y275-F279 AromaticContact CD2-CD2 3.82Å; Y275-F279 HydrophobicContact CD2-CD2 3.82Å; Y275-F279 HydrophobicContact CD2-CE2 4.03Å; Y275-F279 WeakPolarHBondContact O-CD2 3.47Å; Y275-F279 PolarHBondContact O-N 3.32Å
276V89.7Confident89.8Confident2 Ų260.5 Ų60.51%0.01231%0.314CS..Hα-helixtrans-66.1-49.3-175.1169.50000111.9F117 I272 Y278 F279 L280 Y319 V320F117-V276 HydrophobicContact CZ-CG1 4.15Å; I272-V276 HydrophobicContact CG2-CB 4.44Å; I272-V276 HydrophobicContact CG2-CG2 3.77Å; I272-V276 VanDerWaalsContact O-CB 3.27Å; I272-V276 WeakPolarHBondContact O-CB 3.39Å; I272-V276 WeakPolarHBondContact O-CG2 3.46Å; I272-V276 PolarHBondContact O-N 2.99Å; V276-Y278 VanDerWaalsContact C-N 3.26Å; V276-Y278 PolarHBondContact O-N 3.34Å; V276-F279 PolarHBondContact O-N 3.28Å; V276-L280 HydrophobicContact CG1-CD1 4.1Å; V276-L280 HydrophobicContact CG1-CG 4.5Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.12Å; V276-L280 PolarHBondContact O-N 2.71Å; V276-L280 VanDerWaalsContact O-N 3.08Å; V276-Y319 HydrophobicContact CG1-CD1 4.42Å; V276-V320 HydrophobicContact CB-CG2 4.5Å; V276-V320 HydrophobicContact CG1-CG2 3.63Å
277P88.9Confident89.4Confident53 Ų5360.4 Ų60.434%0.34431%0.312SS..Hα-helixtrans-59.6-36.7174.2-2436000113.1I273 L280 V320I273-P277 WeakPolarHBondContact O-CD 3.44Å; I273-P277 VanDerWaalsContact O-CG 3.25Å; I273-P277 WeakPolarHBondContact O-CG 3.49Å; P277-L280 PolarHBondContact O-N 3.04Å; P277-V320 HydrophobicContact CG-CG1 4.27Å; P277-V320 HydrophobicContact CG-CG2 4.38Å
278Y90.6Very high89Confident127 Ų12759.5 Ų59.550%0.49831%0.305SS..Hα-helixtrans-61.1-51.7177.1176.1-101.2000111.4Y275 V276 L280 T281 Y282Y275-Y278 WeakPolarHBondContact O-CB 3.43Å; Y275-Y278 PolarHBondContact O-N 3.04Å; V276-Y278 VanDerWaalsContact C-N 3.26Å; V276-Y278 PolarHBondContact O-N 3.34Å; Y278-L280 VanDerWaalsContact C-N 3.28Å; Y278-L280 PolarHBondContact O-N 3.4Å; Y278-T281 PolarHBondContact O-N 3.06Å; Y278-T281 PolarHBondContact O-OG1 3.49Å; Y278-Y282 HydrophobicContact CD1-CE2 4.5Å; Y278-Y282 AromaticContact CE1-CE2 3.98Å; Y278-Y282 HydrophobicContact CE1-CE2 3.98Å; Y278-Y282 PolarHBondContact OH-OH 2.85Å
279F89.6Confident88.7Confident43 Ų4358.1 Ų58.119%0.18930%0.298CS..Hα-helixtrans-73-17.6-179.5-68-62000114.5H115 W116 F117 Y275 V276 T281 Y282H115-F279 AromaticContact CE1-CD1 3.59Å; W116-F279 HydrophobicContact CH2-CE2 4.4Å; W116-F279 HydrophobicContact CZ2-CD1 4.46Å; W116-F279 HydrophobicContact CZ2-CD2 4.26Å; W116-F279 HydrophobicContact CZ2-CE1 4.13Å; W116-F279 AromaticContact CZ2-CE2 3.93Å; W116-F279 HydrophobicContact CZ2-CE2 3.93Å; W116-F279 AromaticContact CZ2-CZ 3.86Å; W116-F279 HydrophobicContact CZ2-CZ 3.86Å; F117-F279 HydrophobicContact CB-CB 3.98Å; F117-F279 HydrophobicContact CB-CG 4.42Å; F117-F279 HydrophobicContact CD1-CB 3.66Å; F117-F279 HydrophobicContact CD2-CB 3.73Å; F117-F279 HydrophobicContact CD2-CD2 4.26Å; F117-F279 HydrophobicContact CD2-CG 4.24Å; F117-F279 HydrophobicContact CE1-CB 4.03Å; F117-F279 HydrophobicContact CE2-CB 4.09Å; F117-F279 HydrophobicContact CG-CB 3.51Å; F117-F279 HydrophobicContact CG-CG 4.26Å; F117-F279 HydrophobicContact CZ-CB 4.24Å; Y275-F279 AromaticContact CD2-CD2 3.82Å; Y275-F279 HydrophobicContact CD2-CD2 3.82Å; Y275-F279 HydrophobicContact CD2-CE2 4.03Å; Y275-F279 WeakPolarHBondContact O-CD2 3.47Å; Y275-F279 PolarHBondContact O-N 3.32Å; V276-F279 PolarHBondContact O-N 3.28Å; F279-T281 PolarHBondContact O-N 3.02Å; F279-Y282 HydrophobicContact CD1-CD2 4.29Å; F279-Y282 HydrophobicContact CD1-CE2 4.47Å; F279-Y282 PolarHBondContact O-N 3.18Å
280L85.8Confident88.3Confident30 Ų3059.7 Ų59.716%0.15731%0.312CS..Hα-helixtrans-64.7-26.2174.3-79.2170.2000113.4F117 V276 P277 Y278 Y282 I283 A316 V320F117-L280 HydrophobicContact CE1-CD2 3.91Å; F117-L280 HydrophobicContact CE1-CG 4.09Å; V276-L280 HydrophobicContact CG1-CD1 4.1Å; V276-L280 HydrophobicContact CG1-CG 4.5Å; V276-L280 VanDerWaalsContact O-CG 3.29Å; V276-L280 WeakPolarHBondContact O-CG 3.12Å; V276-L280 PolarHBondContact O-N 2.71Å; V276-L280 VanDerWaalsContact O-N 3.08Å; P277-L280 PolarHBondContact O-N 3.04Å; Y278-L280 VanDerWaalsContact C-N 3.28Å; Y278-L280 PolarHBondContact O-N 3.4Å; L280-Y282 PolarHBondContact O-N 3.3Å; L280-I283 HydrophobicContact CD2-CD1 3.95Å; L280-I283 PolarHBondContact O-N 3.02Å; L280-A316 HydrophobicContact CD1-CB 3.78Å; L280-A316 HydrophobicContact CD2-CB 3.21Å; L280-A316 HydrophobicContact CG-CB 4.06Å; L280-V320 HydrophobicContact CD1-CG2 4.13Å
281T85.9Confident87.8Confident103 Ų10357.2 Ų57.263%0.63230%0.297SS*.THydrogen-bonded Turntrans-65.1-22.4175.864.60000113.1Y278 F279Y278-T281 PolarHBondContact O-N 3.06Å; Y278-T281 PolarHBondContact O-OG1 3.49Å; F279-T281 PolarHBondContact O-N 3.02Å
282Y86.3Confident87.2Confident109 Ų10959.5 Ų59.543%0.42731%0.31SS..THydrogen-bonded Turntrans-85.8-5.5-179.9-69-88000113.9Y278 F279 L280 T284Y278-Y282 HydrophobicContact CD1-CE2 4.5Å; Y278-Y282 AromaticContact CE1-CE2 3.98Å; Y278-Y282 HydrophobicContact CE1-CE2 3.98Å; Y278-Y282 PolarHBondContact OH-OH 2.85Å; F279-Y282 HydrophobicContact CD1-CD2 4.29Å; F279-Y282 HydrophobicContact CD1-CE2 4.47Å; F279-Y282 PolarHBondContact O-N 3.18Å; L280-Y282 PolarHBondContact O-N 3.3Å; Y282-T284 PolarHBondContact O-N 3.35Å
283I85.8Confident86.7Confident5 Ų560.2 Ų60.23%0.02631%0.314CS..  trans-86.2104.6176.1-55.9-173.4000108.4F117 A118 L280 Y306 A309 K313F117-I283 HydrophobicContact CD1-CD1 4.02Å; F117-I283 HydrophobicContact CD1-CG1 4.4Å; F117-I283 HydrophobicContact CE1-CD1 4.16Å; A118-I283 HydrophobicContact CB-CD1 4.34Å; A118-I283 HydrophobicContact CB-CG1 4.23Å; L280-I283 HydrophobicContact CD2-CD1 3.95Å; L280-I283 PolarHBondContact O-N 3.02Å; I283-Y306 HydrophobicContact CG2-CD1 4.38Å; I283-Y306 HydrophobicContact CG2-CE1 4.12Å; I283-A309 HydrophobicContact CG2-CB 4.09Å; I283-K313 HydrophobicContact CG2-CG 4.37Å; I283-K313 WeakPolarHBondContact O-CE 3.42Å; I283-K313 PolarHBondContact O-NZ 3.34Å
284T85.4Confident86.1Confident66 Ų6663.5 Ų63.541%0.40533%0.328SS..  trans-113.6155.4176.2570000111.6Y282 E286 A309Y282-T284 PolarHBondContact O-N 3.35Å; T284-E286 WeakPolarHBondContact CB-O 3.37Å; T284-E286 PolarHBondContact OG1-O 3Å; T284-A309 WeakPolarHBondContact O-CB 3.43Å
285L86.6Confident85.6Confident76 Ų7664.4 Ų64.440%0.39835%0.346SS..SBendtrans-71.6-41.7176.4179.968.3000111.2V305 Y306 A309L285-V305 HydrophobicContact CD1-CG1 4.14Å; L285-V305 HydrophobicContact CG-CG1 4.4Å; L285-V305 WeakPolarHBondContact O-CA 3.39Å; L285-Y306 PolarHBondContact O-N 3.28Å; L285-A309 HydrophobicContact CB-CB 4.47Å; L285-A309 HydrophobicContact CD1-CB 4.38Å
286E84.9Confident85.1Confident113 Ų11367.4 Ų67.453%0.52836%0.36SS..EExtended strand (participates in β ladder)trans-104.5135.3178.2-62.4-175.9-163.500109.9T284 Q303 C304T284-E286 WeakPolarHBondContact CB-O 3.37Å; T284-E286 PolarHBondContact OG1-O 3Å; E286-Q303 PolarHBondContact OE2-NE2 3.36Å; E286-C304 WeakPolarHBondContact CA-O 3.48Å
287I85.3Confident84.8Confident23 Ų2367.7 Ų67.712%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-130.7121.5-179.4-58.3173.3000107.5L53 Q113 L114 C304L53-I287 HydrophobicContact CD1-CD1 4.2Å; Q113-I287 HydrophobicContact CB-CG2 4.45Å; L114-I287 HydrophobicContact CD1-CD1 3.4Å; I287-C304 HydrophobicContact CB-CB 4.32Å; I287-C304 PolarHBondContact N-O 2.94Å; I287-C304 WeakPolarHBondContact O-CB 3.37Å; I287-C304 PolarHBondContact O-N 3.36Å
288D85.3Confident84.4Confident63 Ų6367.7 Ų67.734%0.33737%0.371SS..EExtended strand (participates in β ladder)trans-81.6116.9170.7-167.6-7.3000109.1
289C86.1Confident84Confident0 Ų063.7 Ų63.70%036%0.356CS..EExtended strand (participates in β ladder)trans-106.8107.2-177.7177.50000110.1C109 Q113 V291 Y302 C304C109-C289 WeakPolarHBondContact CA-SG 3.28Å; C109-C289 HydrophobicContact CB-CB 3.85Å; C109-C289 WeakPolarHBondContact CB-SG 2.98Å; C109-C289 WeakPolarHBondContact SG-CB 3.21Å; C109-C289 CovalentContact SG-SG 2.03Å; C109-C289 PolarHBondContact SG-SG 3.21Å; Q113-C289 HydrophobicContact CB-CB 4.43Å; Q113-C289 HydrophobicContact CG-CB 4.17Å; C289-V291 WeakPolarHBondContact SG-CG2 3.29Å; C289-Y302 WeakPolarHBondContact CA-O 3.46Å; C289-Y302 WeakPolarHBondContact CB-O 3.39Å; C289-Y302 PolarHBondContact N-O 3.31Å; C289-Y302 PolarHBondContact O-N 3.21Å; C289-C304 VanDerWaalsContact CB-SG 3.58Å
290S85.1Confident83.5Confident61 Ų6166.7 Ų66.743%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-102113.616953.50000109.7Q113Q113-S290 PolarHBondContact NE2-O 2.65Å
291V83.8Confident83.5Confident25 Ų2567.2 Ų67.215%0.15237%0.368CS..  trans-141.9139.4178.4-170.60000109.8V108 Q113 C289 V293 K300V108-V291 HydrophobicContact CG1-CB 4.32Å; V108-V291 HydrophobicContact CG1-CG1 3.68Å; V108-V291 HydrophobicContact CG1-CG2 4.25Å; Q113-V291 HydrophobicContact CG-CG2 4.21Å; C289-V291 WeakPolarHBondContact SG-CG2 3.29Å; V291-V293 HydrophobicContact CG1-CG1 4.11Å; V291-V293 PolarHBondContact O-N 2.89Å; V291-K300 PolarHBondContact N-O 3.41Å
292D79.8Confident83.5Confident146 Ų14662.3 Ų62.378%0.78134%0.339SS*.SBendtrans-76.463.3-179.2-61.5-37.7000112.4
293V82.8Confident83.5Confident16 Ų1660.1 Ų60.110%0.09733%0.332CS..  trans-107.110.9174.7-71.50000113.1Y104 V108 V291 A295 F296 T297 Y302Y104-V293 HydrophobicContact CE1-CG1 4.08Å; V108-V293 HydrophobicContact CG1-CG1 4.35Å; V291-V293 HydrophobicContact CG1-CG1 4.11Å; V291-V293 PolarHBondContact O-N 2.89Å; V293-A295 PolarHBondContact O-N 3.44Å; V293-F296 PolarHBondContact O-N 2.84Å; V293-T297 HydrophobicContact CB-CG2 4.48Å; V293-T297 HydrophobicContact CG2-CG2 4.35Å; V293-T297 PolarHBondContact O-N 3.39Å; V293-T297 VanDerWaalsContact O-N 3.12Å; V293-T297 PolarHBondContact O-OG1 2.91Å; V293-Y302 HydrophobicContact CG2-CE2 3.73Å
294Q80.2Confident83.6Confident119 Ų11959.9 Ų59.956%0.55633%0.331SS*.Hα-helixtrans-52.9-33.6-175-171.9178.7-1.800113.6F296 G298 Y299Q294-F296 PolarHBondContact O-N 3.26Å; Q294-G298 VanDerWaalsContact O-CA 3.25Å; Q294-G298 WeakPolarHBondContact O-CA 3.43Å; Q294-G298 PolarHBondContact O-N 3.37Å; Q294-Y299 WeakPolarHBondContact CA-O 3.4Å
295A79.4Confident83.7Confident116 Ų11660 Ų6096%0.95933%0.331SS*.Hα-helixtrans-65-25.5177.500000113.8V293V293-A295 PolarHBondContact O-N 3.44Å
296F80.4Confident83.8Confident120 Ų12056.5 Ų56.553%0.52631%0.313SS..Hα-helixtrans-103.6-29.1-176.7-172.2-106.2000113.4Q101 Y104 V293 Q294Q101-F296 HydrophobicContact CG-CE1 4Å; Q101-F296 HydrophobicContact CG-CZ 4.48Å; Q101-F296 PolarHBondContact NE2-O 2.65Å; Y104-F296 AromaticContact CD1-CD1 3.87Å; Y104-F296 HydrophobicContact CD1-CD1 3.87Å; Y104-F296 AromaticContact CD1-CE1 3.94Å; Y104-F296 HydrophobicContact CD1-CE1 3.94Å; Y104-F296 AromaticContact CE1-CD1 3.96Å; Y104-F296 HydrophobicContact CE1-CD1 3.96Å; Y104-F296 HydrophobicContact CE1-CE1 4.35Å; Y104-F296 HydrophobicContact CG-CE1 4.3Å; V293-F296 PolarHBondContact O-N 2.84Å; Q294-F296 PolarHBondContact O-N 3.26Å
297T82Confident83.9Confident8 Ų854 Ų545%0.04931%0.307CS..Hα-helixtrans-121.2-13.3-171.356.80000113.5L97 I105 V293 Y299 Y302L97-T297 WeakPolarHBondContact CD2-O 3.36Å; I105-T297 HydrophobicContact CD1-CG2 3.76Å; I105-T297 HydrophobicContact CG1-CG2 3.74Å; V293-T297 HydrophobicContact CB-CG2 4.48Å; V293-T297 HydrophobicContact CG2-CG2 4.35Å; V293-T297 PolarHBondContact O-N 3.39Å; V293-T297 VanDerWaalsContact O-N 3.12Å; V293-T297 PolarHBondContact O-OG1 2.91Å; T297-Y299 WeakPolarHBondContact O-CD2 3.42Å; T297-Y299 PolarHBondContact O-N 3.33Å; T297-Y302 WeakPolarHBondContact CB-OH 3.45Å; T297-Y302 PolarHBondContact OG1-OH 3.18Å
298G80.9Confident84Confident52 Ų5252.9 Ų52.954%0.53630%0.302SS..SBendtrans77.7-5.5-179.200000116Q294Q294-G298 VanDerWaalsContact O-CA 3.25Å; Q294-G298 WeakPolarHBondContact O-CA 3.43Å; Q294-G298 PolarHBondContact O-N 3.37Å
299Y81.9Confident84Confident43 Ų4349.9 Ų49.917%0.16929%0.286CS..  trans-121.6151.6-179.1-61.3-90.1000111.6P57 K59 N95 L97 Q294 T297 Y302P57-Y299 HydrophobicContact CB-CD1 3.66Å; P57-Y299 HydrophobicContact CB-CD2 3.52Å; P57-Y299 HydrophobicContact CB-CE1 4.02Å; P57-Y299 HydrophobicContact CB-CE2 3.92Å; P57-Y299 HydrophobicContact CB-CG 3.4Å; P57-Y299 HydrophobicContact CG-CD2 4.15Å; P57-Y299 HydrophobicContact CG-CE2 4.1Å; P57-Y299 HydrophobicContact CG-CG 4.44Å; K59-Y299 WeakPolarHBondContact CE-OH 3.28Å; K59-Y299 HydrophobicContact CG-CE1 3.87Å; N95-Y299 PolarHBondContact O-OH 2.95Å; L97-Y299 HydrophobicContact CD1-CD2 4.15Å; L97-Y299 HydrophobicContact CD1-CE2 4.09Å; L97-Y299 HydrophobicContact CG-CE2 4.26Å; Q294-Y299 WeakPolarHBondContact CA-O 3.4Å; T297-Y299 WeakPolarHBondContact O-CD2 3.42Å; T297-Y299 PolarHBondContact O-N 3.33Å; Y299-Y302 PolarHBondContact O-OH 3.13Å; Y299-Y302 VanDerWaalsContact O-OH 3.1Å
300K80.9Confident84.1Confident107 Ų10754.4 Ų54.447%0.46531%0.307SS..SBendtrans-103-32.5180-170.5177.3-179.4-179.80113.5V291V291-K300 PolarHBondContact N-O 3.41Å
301R83.9Confident84.2Confident40 Ų4054.9 Ų54.915%0.15130%0.304CS..EExtended strand (participates in β ladder)trans-121.5143.3-177.9-72.2-174.5163.6125.4-6.5112.1C58 E61 N64C58-R301 PolarHBondContact N-O 2.95Å; E61-R301 IonicContact OE2-CZ 2.73Å; E61-R301 IonicContact OE2-NH1 2.8Å; E61-R301 PolarHBondContact OE2-NH1 3.01Å; N64-R301 PolarHBondContact O-NH2 3.39Å; N64-R301 PolarHBondContact OD1-NH2 3.27Å
302Y86.4Confident84.5Confident1 Ų153.7 Ų53.70%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-136.7133-178.5-55.6-88.4000110.3L56 P57 I105 C289 V293 T297 Y299L56-Y302 CarbonylContact O-C 3.51Å; L56-Y302 VanDerWaalsContact O-CA 3.23Å; L56-Y302 WeakPolarHBondContact O-CA 3.41Å; P57-Y302 VanDerWaalsContact CA-CD1 3.49Å; P57-Y302 HydrophobicContact CB-CD1 3.89Å; P57-Y302 HydrophobicContact CB-CE1 3.78Å; I105-Y302 HydrophobicContact CD1-CD1 4.29Å; I105-Y302 HydrophobicContact CD1-CE1 3.56Å; I105-Y302 HydrophobicContact CG1-CE1 4.05Å; I105-Y302 HydrophobicContact CG2-CD1 3.61Å; I105-Y302 HydrophobicContact CG2-CD2 4.15Å; I105-Y302 HydrophobicContact CG2-CE1 3.81Å; I105-Y302 HydrophobicContact CG2-CE2 4.33Å; I105-Y302 HydrophobicContact CG2-CG 3.8Å; C289-Y302 WeakPolarHBondContact CA-O 3.46Å; C289-Y302 WeakPolarHBondContact CB-O 3.39Å; C289-Y302 PolarHBondContact N-O 3.31Å; C289-Y302 PolarHBondContact O-N 3.21Å; V293-Y302 HydrophobicContact CG2-CE2 3.73Å; T297-Y302 WeakPolarHBondContact CB-OH 3.45Å; T297-Y302 PolarHBondContact OG1-OH 3.18Å; Y299-Y302 PolarHBondContact O-OH 3.13Å; Y299-Y302 VanDerWaalsContact O-OH 3.1Å
303Q86.5Confident84.9Confident63 Ų6350.1 Ų50.129%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-92.5120.9170-168.6168.86.400108.7C55 L56 E286C55-Q303 WeakPolarHBondContact CA-O 3.2Å; L56-Q303 PolarHBondContact N-O 3.27Å; L56-Q303 PolarHBondContact O-N 3.4Å; E286-Q303 PolarHBondContact OE2-NE2 3.36Å
304C87.8Confident85.3Confident0 Ų054.1 Ų54.10%030%0.298CS..EExtended strand (participates in β ladder)trans-112.6137.2-175.8-58.80000111.3L53 C54 C55 E286 I287 C289L53-C304 HydrophobicContact CD1-CB 3.8Å; L53-C304 HydrophobicContact CD2-CB 3.97Å; L53-C304 HydrophobicContact CG-CB 3.81Å; C54-C304 CarbonylContact O-C 3.56Å; C54-C304 VanDerWaalsContact O-CA 3.29Å; C54-C304 WeakPolarHBondContact O-CA 3.16Å; C55-C304 HydrophobicContact CB-CB 4.14Å; C55-C304 WeakPolarHBondContact CB-SG 3.37Å; C55-C304 WeakPolarHBondContact SG-CB 3.3Å; C55-C304 CovalentContact SG-SG 2.04Å; C55-C304 PolarHBondContact SG-SG 2.95Å; E286-C304 WeakPolarHBondContact CA-O 3.48Å; I287-C304 HydrophobicContact CB-CB 4.32Å; I287-C304 PolarHBondContact N-O 2.94Å; I287-C304 WeakPolarHBondContact O-CB 3.37Å; I287-C304 PolarHBondContact O-N 3.36Å; C289-C304 VanDerWaalsContact CB-SG 3.58Å
305V88.7Confident85.9Confident67 Ų6749.5 Ų49.541%0.40628%0.277SS..EExtended strand (participates in β ladder)trans-107.1123.4173.9-179.60000109.6C54 L285C54-V305 PolarHBondContact N-O 2.81Å; C54-V305 VanDerWaalsContact N-O 3.11Å; C54-V305 PolarHBondContact O-N 3.14Å; L285-V305 HydrophobicContact CD1-CG1 4.14Å; L285-V305 HydrophobicContact CG-CG1 4.4Å; L285-V305 WeakPolarHBondContact O-CA 3.39Å
306Y88.6Confident86.3Confident4 Ų444 Ų442%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-94.3100.9176.8179.3-133.2000110.1V52 L114 A118 I283 L285 L308 A309 F312V52-Y306 HydrophobicContact CG1-CD2 3.87Å; V52-Y306 HydrophobicContact CG1-CE2 3.42Å; V52-Y306 VanDerWaalsContact CG1-CE2 3.42Å; V52-Y306 WeakPolarHBondContact O-CD2 3.29Å; L114-Y306 HydrophobicContact CD1-CD1 4.43Å; L114-Y306 HydrophobicContact CD1-CD2 4.49Å; L114-Y306 HydrophobicContact CD1-CG 4.38Å; L114-Y306 HydrophobicContact CD2-CE2 4.42Å; A118-Y306 HydrophobicContact CB-CE1 4.32Å; I283-Y306 HydrophobicContact CG2-CD1 4.38Å; I283-Y306 HydrophobicContact CG2-CE1 4.12Å; L285-Y306 PolarHBondContact O-N 3.28Å; Y306-L308 HydrophobicContact CD2-CB 4.44Å; Y306-L308 HydrophobicContact CE1-CB 4.19Å; Y306-L308 HydrophobicContact CE2-CB 3.71Å; Y306-L308 HydrophobicContact CE2-CD1 4.47Å; Y306-L308 PolarHBondContact O-N 3.27Å; Y306-L308 WeakPolarHBondContact OH-CB 3.2Å; Y306-A309 VanDerWaalsContact CD1-CA 3.42Å; Y306-A309 HydrophobicContact CD1-CB 3.39Å; Y306-A309 VanDerWaalsContact CE1-CA 3.48Å; Y306-A309 HydrophobicContact CE1-CB 4Å; Y306-A309 HydrophobicContact CG-CB 4.18Å; Y306-A309 WeakPolarHBondContact O-CB 3.42Å; Y306-A309 PolarHBondContact O-N 3.48Å; Y306-F312 WeakPolarHBondContact OH-CD2 3.27Å; Y306-F312 WeakPolarHBondContact OH-CE2 3.47Å
307S85.7Confident86.8Confident59 Ų5941.3 Ų41.341%0.41323%0.228SC..THydrogen-bonded Turntrans-61.9-27.9-173.5560000114.1Q49 V52Q49-S307 PolarHBondContact OE1-OG 2.89Å; Q49-S307 VanDerWaalsContact OE1-OG 3.06Å; V52-S307 PolarHBondContact O-N 2.84Å
308L86.9Confident87.3Confident0 Ų045.3 Ų45.30%025%0.245CC..THydrogen-bonded Turntrans-88.4-4.7-177.5-70.8174.5000113.5L45 Q49 V52 Y306 E310 I311 F312L45-L308 HydrophobicContact CB-CD2 4.39Å; Q49-L308 VanDerWaalsContact CD-CD2 3.42Å; Q49-L308 HydrophobicContact CG-CD2 4.42Å; Q49-L308 VanDerWaalsContact OE1-CD2 3.27Å; Q49-L308 VanDerWaalsContact OE1-CG 3.25Å; V52-L308 HydrophobicContact CG1-CD1 4.16Å; Y306-L308 HydrophobicContact CD2-CB 4.44Å; Y306-L308 HydrophobicContact CE1-CB 4.19Å; Y306-L308 HydrophobicContact CE2-CB 3.71Å; Y306-L308 HydrophobicContact CE2-CD1 4.47Å; Y306-L308 PolarHBondContact O-N 3.27Å; Y306-L308 WeakPolarHBondContact OH-CB 3.2Å; L308-E310 PolarHBondContact O-N 3.13Å; L308-I311 HydrophobicContact CD2-CD1 4.48Å; L308-I311 PolarHBondContact O-N 2.97Å; L308-F312 HydrophobicContact CB-CD1 4.03Å; L308-F312 HydrophobicContact CB-CE1 4.04Å; L308-F312 HydrophobicContact CB-CG 4.48Å; L308-F312 HydrophobicContact CB-CZ 4.48Å; L308-F312 HydrophobicContact CD1-CE1 4.04Å; L308-F312 HydrophobicContact CD1-CZ 4.03Å; L308-F312 HydrophobicContact CD2-CE1 4.12Å; L308-F312 HydrophobicContact CG-CE1 4.3Å; L308-F312 WeakPolarHBondContact O-CB 3.05Å; L308-F312 WeakPolarHBondContact O-CD1 3.36Å; L308-F312 PolarHBondContact O-N 2.87Å
309A86.6Confident88Confident0 Ų042.9 Ų42.90%022%0.22CC..Hα-helixtrans-54.5-53.5-171.900000112.8I283 T284 L285 Y306 F312 K313I283-A309 HydrophobicContact CG2-CB 4.09Å; T284-A309 WeakPolarHBondContact O-CB 3.43Å; L285-A309 HydrophobicContact CB-CB 4.47Å; L285-A309 HydrophobicContact CD1-CB 4.38Å; Y306-A309 VanDerWaalsContact CD1-CA 3.42Å; Y306-A309 HydrophobicContact CD1-CB 3.39Å; Y306-A309 VanDerWaalsContact CE1-CA 3.48Å; Y306-A309 HydrophobicContact CE1-CB 4Å; Y306-A309 HydrophobicContact CG-CB 4.18Å; Y306-A309 WeakPolarHBondContact O-CB 3.42Å; Y306-A309 PolarHBondContact O-N 3.48Å; A309-F312 PolarHBondContact O-N 3.18Å; A309-K313 WeakPolarHBondContact O-CG 3.46Å; A309-K313 PolarHBondContact O-N 3.16Å
310E87.4Confident88.5Confident95 Ų9541.9 Ų41.944%0.44422%0.218SC..Hα-helixtrans-70.9-38.2-176-67.3-55.5134.400112.1L308 F312 K313 V314L308-E310 PolarHBondContact O-N 3.13Å; E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.41Å; E310-K313 PolarHBondContact O-N 3.43Å; E310-K313 IonicContact OE1-NZ 3.17Å; E310-K313 PolarHBondContact OE1-NZ 3.27Å; E310-V314 WeakPolarHBondContact O-CG2 3.02Å; E310-V314 PolarHBondContact O-N 3.31Å
311I88.6Confident89.1Confident72 Ų7241 Ų4137%0.36922%0.217SC..Hα-helixtrans-63.6-42.4175.5-61.3174.8000110.2L45 L308 V314 L315L45-I311 HydrophobicContact CD1-CG2 3.99Å; L308-I311 HydrophobicContact CD2-CD1 4.48Å; L308-I311 PolarHBondContact O-N 2.97Å; I311-V314 PolarHBondContact O-N 3.19Å; I311-L315 HydrophobicContact CG2-CD1 3.83Å; I311-L315 HydrophobicContact CG2-CG 4.34Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.22Å
312F88.8Confident89.6Confident0 Ų039.6 Ų39.60%021%0.213CC..Hα-helixtrans-69.5-36.5179.7-83.130.1000111.7Q46 A118 F121 P122 Y306 L308 A309 E310 L315 A316Q46-F312 HydrophobicContact CB-CZ 4.13Å; Q46-F312 HydrophobicContact CG-CZ 4.5Å; A118-F312 WeakPolarHBondContact O-CE2 3.48Å; F121-F312 HydrophobicContact CD1-CD2 4.22Å; P122-F312 HydrophobicContact CG-CE2 4.16Å; P122-F312 HydrophobicContact CG-CZ 4.13Å; Y306-F312 WeakPolarHBondContact OH-CD2 3.27Å; Y306-F312 WeakPolarHBondContact OH-CE2 3.47Å; L308-F312 HydrophobicContact CB-CD1 4.03Å; L308-F312 HydrophobicContact CB-CE1 4.04Å; L308-F312 HydrophobicContact CB-CG 4.48Å; L308-F312 HydrophobicContact CB-CZ 4.48Å; L308-F312 HydrophobicContact CD1-CE1 4.04Å; L308-F312 HydrophobicContact CD1-CZ 4.03Å; L308-F312 HydrophobicContact CD2-CE1 4.12Å; L308-F312 HydrophobicContact CG-CE1 4.3Å; L308-F312 WeakPolarHBondContact O-CB 3.05Å; L308-F312 WeakPolarHBondContact O-CD1 3.36Å; L308-F312 PolarHBondContact O-N 2.87Å; A309-F312 PolarHBondContact O-N 3.18Å; E310-F312 VanDerWaalsContact C-N 3.33Å; E310-F312 PolarHBondContact O-N 3.41Å; F312-L315 PolarHBondContact O-N 3.34Å; F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.48Å
313K89.3Confident90Very high70 Ų7039.5 Ų39.530%0.30421%0.213SC..Hα-helixtrans-59.3-45170.8-75.9176-173.8169.60111.9I283 A309 E310 S317I283-K313 HydrophobicContact CG2-CG 4.37Å; I283-K313 WeakPolarHBondContact O-CE 3.42Å; I283-K313 PolarHBondContact O-NZ 3.34Å; A309-K313 WeakPolarHBondContact O-CG 3.46Å; A309-K313 PolarHBondContact O-N 3.16Å; E310-K313 PolarHBondContact O-N 3.43Å; E310-K313 IonicContact OE1-NZ 3.17Å; E310-K313 PolarHBondContact OE1-NZ 3.27Å; K313-S317 VanDerWaalsContact O-CB 3.26Å; K313-S317 WeakPolarHBondContact O-CB 3.47Å; K313-S317 PolarHBondContact O-N 3.14Å
314V91.3Very high90.3Very high100 Ų10039.8 Ų39.861%0.60622%0.215SC*.Hα-helixtrans-64.1-49.5177.9173.40000110.9E310 I311 A316 S317 F318E310-V314 WeakPolarHBondContact O-CG2 3.02Å; E310-V314 PolarHBondContact O-N 3.31Å; I311-V314 PolarHBondContact O-N 3.19Å; V314-A316 VanDerWaalsContact C-N 3.32Å; V314-A316 PolarHBondContact O-N 3.49Å; V314-S317 PolarHBondContact O-N 2.99Å; V314-F318 WeakPolarHBondContact O-CB 3.36Å; V314-F318 PolarHBondContact O-N 3.33Å
315L91.1Very high90.6Very high22 Ų2243.4 Ų43.412%0.11523%0.234CC..Hα-helixtrans-62.2-38.9179.2-72.3170.9000112.3V38 L41 A42 L45 I311 F312 Y319V38-L315 HydrophobicContact CG1-CB 4.47Å; V38-L315 HydrophobicContact CG1-CD2 4.37Å; L41-L315 HydrophobicContact CD2-CD2 4.15Å; A42-L315 HydrophobicContact CB-CD1 4.01Å; L45-L315 HydrophobicContact CD1-CD1 4.06Å; I311-L315 HydrophobicContact CG2-CD1 3.83Å; I311-L315 HydrophobicContact CG2-CG 4.34Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.22Å; F312-L315 PolarHBondContact O-N 3.34Å; L315-Y319 WeakPolarHBondContact O-CB 3.49Å; L315-Y319 PolarHBondContact O-N 3.07Å
316A89.8Confident90.8Very high0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-75.7-36.7179.800000113.2F121 L280 F312 V314 F318 Y319 V320F121-A316 HydrophobicContact CD2-CB 4.37Å; F121-A316 HydrophobicContact CE1-CB 4.21Å; F121-A316 HydrophobicContact CE2-CB 3.53Å; F121-A316 HydrophobicContact CZ-CB 3.44Å; F121-A316 VanDerWaalsContact CZ-CB 3.44Å; L280-A316 HydrophobicContact CD1-CB 3.78Å; L280-A316 HydrophobicContact CD2-CB 3.21Å; L280-A316 HydrophobicContact CG-CB 4.06Å; F312-A316 WeakPolarHBondContact O-CB 3.48Å; F312-A316 PolarHBondContact O-N 3.48Å; V314-A316 VanDerWaalsContact C-N 3.32Å; V314-A316 PolarHBondContact O-N 3.49Å; A316-F318 VanDerWaalsContact C-N 3.33Å; A316-Y319 WeakPolarHBondContact O-CB 3.38Å; A316-Y319 PolarHBondContact O-N 3.26Å; A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3Å
317S89.8Confident91Very high64 Ų6440 Ų4045%0.44821%0.214SC..Hα-helixtrans-59.9-45.7170.1-1780000110.8K313 V314 Y319 V320 I321K313-S317 VanDerWaalsContact O-CB 3.26Å; K313-S317 WeakPolarHBondContact O-CB 3.47Å; K313-S317 PolarHBondContact O-N 3.14Å; V314-S317 PolarHBondContact O-N 2.99Å; S317-Y319 PolarHBondContact O-N 3.28Å; S317-V320 PolarHBondContact O-N 3.07Å; S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.34Å; S317-I321 VanDerWaalsContact O-N 3.08Å
318F93.4Very high91.4Very high93 Ų9342.3 Ų42.341%0.40822%0.221SC..Hα-helixtrans-60.7-42.5173.8-177.2-113.9000112.3I34 V38 V314 A316 V320 I321 L322I34-F318 HydrophobicContact CG2-CE1 4.01Å; I34-F318 HydrophobicContact CG2-CZ 4.14Å; V38-F318 HydrophobicContact CG2-CD1 3.64Å; V38-F318 HydrophobicContact CG2-CE1 3.66Å; V314-F318 WeakPolarHBondContact O-CB 3.36Å; V314-F318 PolarHBondContact O-N 3.33Å; A316-F318 VanDerWaalsContact C-N 3.33Å; F318-V320 PolarHBondContact O-N 3.27Å; F318-I321 PolarHBondContact O-N 3.18Å; F318-L322 HydrophobicContact CD1-CD1 3.95Å; F318-L322 HydrophobicContact CE1-CD1 3.6Å; F318-L322 HydrophobicContact CE1-CG 4.29Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.27Å; F318-L322 HydrophobicContact CZ-CG 4.29Å; F318-L322 WeakPolarHBondContact O-CG 3.27Å; F318-L322 PolarHBondContact O-N 3.23Å
319Y93.8Very high91.6Very high1 Ų143.3 Ų43.30%0.00423%0.227CC..Hα-helixtrans-60.4-44.1174.5174-106.6000112.8M35 V125 H128 I272 V276 L315 A316 S317 I321 L322 V323M35-Y319 HydrophobicContact CB-CE2 4.38Å; M35-Y319 HydrophobicContact CE-CD2 4.3Å; M35-Y319 HydrophobicContact CE-CE2 3.37Å; M35-Y319 HydrophobicContact CG-CD2 4.37Å; M35-Y319 HydrophobicContact CG-CE2 4.28Å; V125-Y319 HydrophobicContact CB-CE2 4.33Å; V125-Y319 HydrophobicContact CG1-CD2 3.67Å; V125-Y319 HydrophobicContact CG1-CE2 3.53Å; V125-Y319 HydrophobicContact CG1-CG 4.38Å; V125-Y319 HydrophobicContact CG2-CD1 4.07Å; V125-Y319 HydrophobicContact CG2-CD2 4.19Å; V125-Y319 HydrophobicContact CG2-CE1 4.05Å; V125-Y319 HydrophobicContact CG2-CE2 4.17Å; V125-Y319 HydrophobicContact CG2-CG 4.13Å; H128-Y319 WeakPolarHBondContact CB-OH 3.43Å; H128-Y319 AromaticContact ND1-CZ 3.9Å; H128-Y319 PolarHBondContact ND1-OH 2.96Å; I272-Y319 HydrophobicContact CG2-CE1 3.98Å; V276-Y319 HydrophobicContact CG1-CD1 4.42Å; L315-Y319 WeakPolarHBondContact O-CB 3.49Å; L315-Y319 PolarHBondContact O-N 3.07Å; A316-Y319 WeakPolarHBondContact O-CB 3.38Å; A316-Y319 PolarHBondContact O-N 3.26Å; S317-Y319 PolarHBondContact O-N 3.28Å; Y319-I321 VanDerWaalsContact C-N 3.31Å; Y319-I321 PolarHBondContact O-N 3.44Å; Y319-L322 WeakPolarHBondContact O-CB 3.43Å; Y319-L322 PolarHBondContact O-N 3.45Å; Y319-V323 HydrophobicContact CD1-CG2 4.25Å; Y319-V323 HydrophobicContact CD2-CG2 4.21Å; Y319-V323 HydrophobicContact CE1-CG2 3.75Å; Y319-V323 HydrophobicContact CE2-CG2 3.71Å; Y319-V323 HydrophobicContact CG-CG2 4.46Å; Y319-V323 VanDerWaalsContact CZ-CG2 3.45Å; Y319-V323 WeakPolarHBondContact O-CG2 3.46Å; Y319-V323 PolarHBondContact O-N 3.45Å
320V93.1Very high91.8Very high21 Ų2143.3 Ų43.313%0.12723%0.227CC..Hα-helixtrans-60-43.1176.8172.90000110.7I273 V276 P277 L280 A316 S317 F318 L322 V323 I324I273-V320 HydrophobicContact CD1-CG1 3.72Å; V276-V320 HydrophobicContact CB-CG2 4.5Å; V276-V320 HydrophobicContact CG1-CG2 3.63Å; P277-V320 HydrophobicContact CG-CG1 4.27Å; P277-V320 HydrophobicContact CG-CG2 4.38Å; L280-V320 HydrophobicContact CD1-CG2 4.13Å; A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3Å; S317-V320 PolarHBondContact O-N 3.07Å; F318-V320 PolarHBondContact O-N 3.27Å; V320-L322 VanDerWaalsContact C-N 3.35Å; V320-L322 PolarHBondContact O-N 2.99Å; V320-V323 PolarHBondContact O-N 3.13Å; V320-I324 HydrophobicContact CG1-CD1 4.02Å; V320-I324 VanDerWaalsContact O-CG1 3.32Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.99Å
321I93.8Very high92Very high88 Ų8840.9 Ų40.945%0.45122%0.221SC..Hα-helixtrans-59.5-45.4175.7-65.7165.5000111S317 F318 Y319 V323 I324 L325S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.34Å; S317-I321 VanDerWaalsContact O-N 3.08Å; F318-I321 PolarHBondContact O-N 3.18Å; Y319-I321 VanDerWaalsContact C-N 3.31Å; Y319-I321 PolarHBondContact O-N 3.44Å; I321-V323 VanDerWaalsContact C-N 3.34Å; I321-V323 PolarHBondContact O-N 3.21Å; I321-I324 PolarHBondContact O-N 3.46Å; I321-L325 HydrophobicContact CG2-CD1 4.37Å; I321-L325 WeakPolarHBondContact O-CG 3.49Å; I321-L325 PolarHBondContact O-N 2.86Å
322L93.9Very high92.2Very high11 Ų1141.9 Ų41.96%0.05822%0.221CC..Hα-helixtrans-61.6-41.2176.9-68.2171.6000112.2I31 I34 M35 V38 F318 Y319 V320 L325 Y326I31-L322 HydrophobicContact CG2-CB 4.4Å; I34-L322 HydrophobicContact CB-CD1 4.42Å; I34-L322 HydrophobicContact CG2-CD1 3.64Å; I34-L322 HydrophobicContact CG2-CD2 4.08Å; M35-L322 HydrophobicContact CG-CB 3.93Å; M35-L322 HydrophobicContact CG-CD1 4Å; V38-L322 HydrophobicContact CG2-CD1 4.33Å; F318-L322 HydrophobicContact CD1-CD1 3.95Å; F318-L322 HydrophobicContact CE1-CD1 3.6Å; F318-L322 HydrophobicContact CE1-CG 4.29Å; F318-L322 HydrophobicContact CZ-CD1 4.03Å; F318-L322 HydrophobicContact CZ-CD2 4.27Å; F318-L322 HydrophobicContact CZ-CG 4.29Å; F318-L322 WeakPolarHBondContact O-CG 3.27Å; F318-L322 PolarHBondContact O-N 3.23Å; Y319-L322 WeakPolarHBondContact O-CB 3.43Å; Y319-L322 PolarHBondContact O-N 3.45Å; V320-L322 VanDerWaalsContact C-N 3.35Å; V320-L322 PolarHBondContact O-N 2.99Å; L322-L325 PolarHBondContact O-N 3.22Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 PolarHBondContact O-N 2.91Å
323V94.4Very high92.3Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-65.7-38.1176.8172.40000111.4M35 F269 I272 I273 Y319 V320 I321 Y326 G327M35-V323 HydrophobicContact CE-CG2 3.7Å; F269-V323 HydrophobicContact CD2-CG1 3.69Å; F269-V323 VanDerWaalsContact CD2-O 3.29Å; F269-V323 WeakPolarHBondContact CD2-O 3.47Å; F269-V323 HydrophobicContact CE2-CG1 4.16Å; F269-V323 WeakPolarHBondContact CE2-O 3.46Å; I272-V323 HydrophobicContact CB-CG1 4.26Å; I272-V323 HydrophobicContact CG2-CG1 3.89Å; I272-V323 HydrophobicContact CG2-CG2 4.13Å; I273-V323 HydrophobicContact CG1-CG1 4.05Å; Y319-V323 HydrophobicContact CD1-CG2 4.25Å; Y319-V323 HydrophobicContact CD2-CG2 4.21Å; Y319-V323 HydrophobicContact CE1-CG2 3.75Å; Y319-V323 HydrophobicContact CE2-CG2 3.71Å; Y319-V323 HydrophobicContact CG-CG2 4.46Å; Y319-V323 VanDerWaalsContact CZ-CG2 3.45Å; Y319-V323 WeakPolarHBondContact O-CG2 3.46Å; Y319-V323 PolarHBondContact O-N 3.45Å; V320-V323 PolarHBondContact O-N 3.13Å; I321-V323 VanDerWaalsContact C-N 3.34Å; I321-V323 PolarHBondContact O-N 3.21Å; V323-Y326 PolarHBondContact O-N 3.16Å; V323-G327 PolarHBondContact O-N 3.34Å
324I93.8Very high92.4Very high68 Ų6840.1 Ų40.135%0.34922%0.215SC..Hα-helixtrans-60.5-49173.3-67.8168000110.7I273 V320 I321 Y326 G327 L328I273-I324 HydrophobicContact CD1-CD1 3.97Å; I273-I324 HydrophobicContact CD1-CG1 3.44Å; I273-I324 VanDerWaalsContact CD1-CG1 3.44Å; I273-I324 HydrophobicContact CG1-CG1 4.27Å; V320-I324 HydrophobicContact CG1-CD1 4.02Å; V320-I324 VanDerWaalsContact O-CG1 3.32Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.99Å; I321-I324 PolarHBondContact O-N 3.46Å; I324-Y326 VanDerWaalsContact C-N 3.32Å; I324-Y326 PolarHBondContact O-N 3.04Å; I324-G327 PolarHBondContact O-N 2.88Å; I324-L328 HydrophobicContact CG2-CD1 3.85Å; I324-L328 HydrophobicContact CG2-CG 4.24Å; I324-L328 WeakPolarHBondContact O-CB 3.44Å; I324-L328 VanDerWaalsContact O-CG 3.32Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 3.31Å
325L93.9Very high92.4Very high76 Ų7641.5 Ų41.540%0.39821%0.209SC..Hα-helixtrans-60.3-41.8177.5-68.4171.8000112I31 I321 L322 T329I31-L325 HydrophobicContact CD1-CB 4.13Å; I321-L325 HydrophobicContact CG2-CD1 4.37Å; I321-L325 WeakPolarHBondContact O-CG 3.49Å; I321-L325 PolarHBondContact O-N 2.86Å; L322-L325 PolarHBondContact O-N 3.22Å; L325-T329 PolarHBondContact O-N 3.23Å; L325-T329 PolarHBondContact O-OG1 2.87Å
326Y93.6Very high92.4Very high0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-62.9-43.6175.1-170.9-86.7000112.3W28 I31 T32 F132 K265 L322 V323 I324 T329 S330W28-Y326 HydrophobicContact CB-CD2 4.35Å; W28-Y326 HydrophobicContact CB-CE2 3.7Å; W28-Y326 AromaticContact CD1-CD2 3.9Å; W28-Y326 AromaticContact CD1-CE2 3.83Å; W28-Y326 HydrophobicContact CG-CD2 4.3Å; W28-Y326 AromaticContact CG-CE2 3.79Å; W28-Y326 HydrophobicContact CG-CE2 3.79Å; I31-Y326 HydrophobicContact CB-CD2 4.32Å; I31-Y326 HydrophobicContact CG2-CD2 4.03Å; T32-Y326 HydrophobicContact CG2-CD2 4.43Å; T32-Y326 HydrophobicContact CG2-CE2 3.82Å; F132-Y326 HydrophobicContact CD1-CD1 4.19Å; F132-Y326 AromaticContact CD1-CE1 3.39Å; F132-Y326 HydrophobicContact CD1-CE1 3.39Å; F132-Y326 AromaticContact CD1-CZ 3.68Å; F132-Y326 AromaticContact CE1-CD1 3.97Å; F132-Y326 HydrophobicContact CE1-CD1 3.97Å; F132-Y326 AromaticContact CE1-CE1 3.49Å; F132-Y326 HydrophobicContact CE1-CE1 3.49Å; F132-Y326 VanDerWaalsContact CE1-CE1 3.49Å; F132-Y326 HydrophobicContact CG-CE1 4.03Å; F132-Y326 HydrophobicContact CZ-CD1 4.23Å; F132-Y326 HydrophobicContact CZ-CE1 4.19Å; K265-Y326 HydrophobicContact CB-CE1 4.28Å; K265-Y326 HydrophobicContact CD-CE1 4.32Å; K265-Y326 WeakPolarHBondContact CD-OH 3.1Å; K265-Y326 WeakPolarHBondContact CE-OH 3.38Å; K265-Y326 HydrophobicContact CG-CE1 4.34Å; K265-Y326 PolarHBondContact NZ-OH 3.43Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 PolarHBondContact O-N 2.91Å; V323-Y326 PolarHBondContact O-N 3.16Å; I324-Y326 VanDerWaalsContact C-N 3.32Å; I324-Y326 PolarHBondContact O-N 3.04Å; Y326-T329 PolarHBondContact O-OG1 3.02Å; Y326-S330 WeakPolarHBondContact CE1-OG 3.43Å; Y326-S330 VanDerWaalsContact O-CB 3.29Å; Y326-S330 WeakPolarHBondContact O-CB 3.37Å; Y326-S330 PolarHBondContact O-N 3.35Å; Y326-S330 PolarHBondContact O-OG 2.83Å
327G93Very high92.3Very high0 Ų041.9 Ų41.90%021%0.209CC..Hα-helixtrans-68.3-42-179.200000113.6F269 V323 I324 S330 S331F269-G327 VanDerWaalsContact CD2-CA 3.44Å; F269-G327 VanDerWaalsContact CG-CA 3.46Å; V323-G327 PolarHBondContact O-N 3.34Å; I324-G327 PolarHBondContact O-N 2.88Å; G327-S330 PolarHBondContact O-N 2.76Å; G327-S331 VanDerWaalsContact O-CB 3.3Å; G327-S331 WeakPolarHBondContact O-CB 3.36Å; G327-S331 PolarHBondContact O-N 3.48Å; G327-S331 PolarHBondContact O-OG 3.1Å
328L92.8Very high92.1Very high108 Ų10844.7 Ų44.757%0.56522%0.218SC*.Hα-helixtrans-62.5-44.7177.3-71.7173.8000111.4I324 S331 Y332I324-L328 HydrophobicContact CG2-CD1 3.85Å; I324-L328 HydrophobicContact CG2-CG 4.24Å; I324-L328 WeakPolarHBondContact O-CB 3.44Å; I324-L328 VanDerWaalsContact O-CG 3.32Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 3.31Å; L328-S331 PolarHBondContact O-N 3.14Å; L328-Y332 WeakPolarHBondContact O-CB 3.18Å; L328-Y332 PolarHBondContact O-N 3.33Å
329T91.8Very high91.7Very high20 Ų2049 Ų4912%0.12323%0.232CC..Hα-helixtrans-69.7-37.4177.152.40000112.6F27 W28 L325 Y326 Y332 S333F27-T329 HydrophobicContact CD1-CG2 3.71Å; F27-T329 HydrophobicContact CE1-CG2 3.7Å; W28-T329 PolarHBondContact NE1-OG1 3.17Å; L325-T329 PolarHBondContact O-N 3.23Å; L325-T329 PolarHBondContact O-OG1 2.87Å; Y326-T329 PolarHBondContact O-OG1 3.02Å; T329-Y332 PolarHBondContact O-N 3.17Å; T329-S333 PolarHBondContact O-N 3.02Å
330S91.1Very high90.9Very high0 Ų051.2 Ų51.20%025%0.247CC..Hα-helixtrans-61.7-43.1171.4-62.60000112Y326 G327 S333 L334Y326-S330 WeakPolarHBondContact CE1-OG 3.43Å; Y326-S330 VanDerWaalsContact O-CB 3.29Å; Y326-S330 WeakPolarHBondContact O-CB 3.37Å; Y326-S330 PolarHBondContact O-N 3.35Å; Y326-S330 PolarHBondContact O-OG 2.83Å; G327-S330 PolarHBondContact O-N 2.76Å; S330-S333 PolarHBondContact O-N 3.43Å; S330-S333 PolarHBondContact O-OG 2.95Å; S330-L334 PolarHBondContact O-N 3.34Å
331S91.3Very high90.3Very high45 Ų4554.7 Ų54.732%0.31527%0.273SS..Hα-helixtrans-68.1-38.4178.5-56.70000111.9G327 L328 L334 W335G327-S331 VanDerWaalsContact O-CB 3.3Å; G327-S331 WeakPolarHBondContact O-CB 3.36Å; G327-S331 PolarHBondContact O-N 3.48Å; G327-S331 PolarHBondContact O-OG 3.1Å; L328-S331 PolarHBondContact O-N 3.14Å; S331-L334 PolarHBondContact O-N 3.41Å; S331-W335 WeakPolarHBondContact O-CB 3.46Å; S331-W335 PolarHBondContact O-N 3.14Å
332Y92.9Very high89.7Confident93 Ų9350.7 Ų50.737%0.36525%0.252SS..Hα-helixtrans-59-46.4171.1170.2-95.5000111.7W23 W24 L328 T329 L334 W335 W336W23-Y332 HydrophobicContact CH2-CD1 4.12Å; W23-Y332 HydrophobicContact CH2-CE1 4.06Å; W23-Y332 AromaticContact CZ2-CD1 3.96Å; W23-Y332 HydrophobicContact CZ2-CD1 3.96Å; W23-Y332 AromaticContact CZ2-CE1 3.44Å; W23-Y332 HydrophobicContact CZ2-CE1 3.44Å; W23-Y332 VanDerWaalsContact CZ2-CE1 3.44Å; W24-Y332 HydrophobicContact CE3-CD1 4.4Å; W24-Y332 AromaticContact CE3-CE1 3.91Å; W24-Y332 HydrophobicContact CE3-CE1 3.91Å; W24-Y332 HydrophobicContact CZ3-CE1 4.01Å; L328-Y332 WeakPolarHBondContact O-CB 3.18Å; L328-Y332 PolarHBondContact O-N 3.33Å; T329-Y332 PolarHBondContact O-N 3.17Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 3.27Å; Y332-W335 HydrophobicContact CD2-CE3 4.34Å; Y332-W335 HydrophobicContact CE2-CE3 4.32Å; Y332-W335 HydrophobicContact CE2-CZ3 4.22Å; Y332-W335 PolarHBondContact O-N 3.39Å; Y332-W336 WeakPolarHBondContact O-CB 3.31Å; Y332-W336 PolarHBondContact O-N 2.7Å
333S90.1Very high89Confident1 Ų153.9 Ų53.91%0.00727%0.266CS..Hα-helixtrans-63.1-39.1178.574.60000112.3W28 T329 S330 W336 M337W28-S333 VanDerWaalsContact CH2-OG 3.28Å; W28-S333 WeakPolarHBondContact CH2-OG 3.43Å; W28-S333 WeakPolarHBondContact CZ2-OG 3.33Å; T329-S333 PolarHBondContact O-N 3.02Å; S330-S333 PolarHBondContact O-N 3.43Å; S330-S333 PolarHBondContact O-OG 2.95Å; S333-W336 PolarHBondContact O-N 3.39Å; S333-M337 WeakPolarHBondContact O-CG 3.49Å; S333-M337 PolarHBondContact O-N 2.88Å
334L91.3Very high88.5Confident32 Ų3259.7 Ų59.717%0.16829%0.293CS..Hα-helixtrans-63.6-45.1175.1-173.959.3000111L259 I262 I263 V266 S330 S331 Y332 M337 L338L259-L334 HydrophobicContact CD1-CD1 3.9Å; I262-L334 HydrophobicContact CG2-CB 3.66Å; I262-L334 HydrophobicContact CG2-CD1 4.03Å; I262-L334 HydrophobicContact CG2-CG 4.34Å; I263-L334 HydrophobicContact CG1-CD1 3.94Å; V266-L334 HydrophobicContact CG2-CD2 4.19Å; S330-L334 PolarHBondContact O-N 3.34Å; S331-L334 PolarHBondContact O-N 3.41Å; Y332-L334 VanDerWaalsContact C-N 3.33Å; Y332-L334 PolarHBondContact O-N 3.27Å; L334-M337 PolarHBondContact O-N 2.97Å; L334-L338 HydrophobicContact CD1-CD1 4.29Å; L334-L338 HydrophobicContact CD1-CG 4.48Å; L334-L338 HydrophobicContact CG-CD1 4.04Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.41Å; L334-L338 PolarHBondContact O-N 2.96Å
335W92.3Very high88Confident129 Ų12957.3 Ų57.349%0.48928%0.279SS..Hα-helixtrans-61.8-43.7176.8175.483.6000112.2S331 Y332 M337 L338 R339S331-W335 WeakPolarHBondContact O-CB 3.46Å; S331-W335 PolarHBondContact O-N 3.14Å; Y332-W335 HydrophobicContact CD2-CE3 4.34Å; Y332-W335 HydrophobicContact CE2-CE3 4.32Å; Y332-W335 HydrophobicContact CE2-CZ3 4.22Å; Y332-W335 PolarHBondContact O-N 3.39Å; W335-M337 VanDerWaalsContact C-N 3.33Å; W335-M337 PolarHBondContact O-N 3.4Å; W335-L338 PolarHBondContact O-N 3.01Å; W335-R339 WeakPolarHBondContact O-CB 3.43Å; W335-R339 PolarHBondContact O-N 3.04Å
336W90.3Very high87.4Confident28 Ų2856.6 Ų56.611%0.10628%0.281CS..Hα-helixtrans-58.8-44.4175.7175.181.1000111.7W24 Y332 S333 L338 S340 L342 L372 Q375W24-W336 AromaticContact CH2-CD2 3.93Å; W24-W336 HydrophobicContact CH2-CD2 3.93Å; W24-W336 AromaticContact CH2-CE3 3.89Å; W24-W336 HydrophobicContact CH2-CE3 3.89Å; W24-W336 HydrophobicContact CH2-CH2 4.25Å; W24-W336 HydrophobicContact CH2-CZ2 4.28Å; W24-W336 HydrophobicContact CH2-CZ3 4.05Å; W24-W336 HydrophobicContact CZ2-CD2 4.47Å; W24-W336 AromaticContact CZ2-CE3 3.97Å; W24-W336 HydrophobicContact CZ2-CE3 3.97Å; W24-W336 HydrophobicContact CZ2-CH2 4.37Å; W24-W336 AromaticContact CZ2-CZ3 3.91Å; W24-W336 HydrophobicContact CZ2-CZ3 3.91Å; Y332-W336 WeakPolarHBondContact O-CB 3.31Å; Y332-W336 PolarHBondContact O-N 2.7Å; S333-W336 PolarHBondContact O-N 3.39Å; W336-L338 VanDerWaalsContact C-N 3.35Å; W336-L338 PolarHBondContact O-N 3.41Å; W336-S340 WeakPolarHBondContact O-CB 3.48Å; W336-S340 PolarHBondContact O-N 3.39Å; W336-S340 VanDerWaalsContact O-N 3.09Å; W336-S340 PolarHBondContact O-OG 3.33Å; W336-L342 HydrophobicContact CE3-CD1 3.99Å; W336-L342 HydrophobicContact CH2-CD1 3.79Å; W336-L342 HydrophobicContact CH2-CD2 3.68Å; W336-L342 HydrophobicContact CH2-CG 4.42Å; W336-L342 HydrophobicContact CZ2-CD1 4.49Å; W336-L342 HydrophobicContact CZ2-CD2 3.8Å; W336-L342 HydrophobicContact CZ3-CD1 3.51Å; W336-L342 HydrophobicContact CZ3-CD2 4.27Å; W336-L372 HydrophobicContact CH2-CD2 4.49Å; W336-Q375 HydrophobicContact CH2-CG 4.48Å; W336-Q375 HydrophobicContact CZ2-CG 4.04Å
337M87.1Confident86.7Confident2 Ų256.8 Ų56.81%0.0128%0.282CS..Hα-helixtrans-67.7-30.2178.2-74.6-167.671.900114.5Y255 Y258 L259 I262 S333 L334 W335 L342 F368Y255-M337 HydrophobicContact CD2-CE 3.8Å; Y255-M337 HydrophobicContact CE2-CE 3.44Å; Y255-M337 VanDerWaalsContact CE2-CE 3.44Å; Y258-M337 HydrophobicContact CD1-CE 3.88Å; Y258-M337 HydrophobicContact CD1-SD 3.5Å; Y258-M337 VanDerWaalsContact CD1-SD 3.5Å; Y258-M337 HydrophobicContact CE1-CE 4.5Å; Y258-M337 HydrophobicContact CE1-SD 3.64Å; L259-M337 HydrophobicContact CB-CE 4.03Å; L259-M337 HydrophobicContact CD1-CE 4.21Å; L259-M337 HydrophobicContact CD1-SD 4.41Å; I262-M337 HydrophobicContact CD1-SD 3.55Å; I262-M337 VanDerWaalsContact CD1-SD 3.55Å; S333-M337 WeakPolarHBondContact O-CG 3.49Å; S333-M337 PolarHBondContact O-N 2.88Å; L334-M337 PolarHBondContact O-N 2.97Å; W335-M337 VanDerWaalsContact C-N 3.33Å; W335-M337 PolarHBondContact O-N 3.4Å; M337-L342 HydrophobicContact CB-CD1 4.07Å; M337-L342 HydrophobicContact CE-CD1 4.37Å; M337-L342 HydrophobicContact CG-CD1 3.77Å; M337-F368 HydrophobicContact CE-CE2 3.92Å; M337-F368 HydrophobicContact CE-CZ 4.27Å
338L86.8Confident85.9Confident123 Ų12362.4 Ų62.464%0.64431%0.308SS*.Hα-helixtrans-83.4-33179.3-69.6172.6000112.4L334 W335 W336L334-L338 HydrophobicContact CD1-CD1 4.29Å; L334-L338 HydrophobicContact CD1-CG 4.48Å; L334-L338 HydrophobicContact CG-CD1 4.04Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.41Å; L334-L338 PolarHBondContact O-N 2.96Å; W335-L338 PolarHBondContact O-N 3.01Å; W336-L338 VanDerWaalsContact C-N 3.35Å; W336-L338 PolarHBondContact O-N 3.41Å
339R85.3Confident84.9Confident183 Ų18360.2 Ų60.269%0.69131%0.305SS*.Hα-helixtrans-77.2-37.7179.5-174.2174.4-178.9-179.50.8112.4W335W335-R339 WeakPolarHBondContact O-CB 3.43Å; W335-R339 PolarHBondContact O-N 3.04Å
340S77.3Confident83.9Confident47 Ų4760.5 Ų60.533%0.32931%0.306SS..SBendtrans-91.2134.3-176.5-54.30000110.8W336 L342W336-S340 WeakPolarHBondContact O-CB 3.48Å; W336-S340 PolarHBondContact O-N 3.39Å; W336-S340 VanDerWaalsContact O-N 3.09Å; W336-S340 PolarHBondContact O-OG 3.33Å; S340-L342 PolarHBondContact O-N 2.98Å
341S79.2Confident83.4Confident94 Ų9464.2 Ų64.266%0.65732%0.32SS*.  trans-75.374.7173.458.90000111.1K343 Q344S341-K343 PolarHBondContact O-N 3.24Å; S341-K343 VanDerWaalsContact O-N 3.11Å; S341-Q344 PolarHBondContact O-N 3.47Å
342L81.5Confident82.6Confident4 Ų469.2 Ų69.22%0.02134%0.338CS..THydrogen-bonded Turntrans-72.9-2.9-173-61.2175.5000114.9Y255 W336 M337 S340 Q344 F368 H371Y255-L342 HydrophobicContact CE2-CB 4.2Å; Y255-L342 HydrophobicContact CE2-CD1 4.5Å; W336-L342 HydrophobicContact CE3-CD1 3.99Å; W336-L342 HydrophobicContact CH2-CD1 3.79Å; W336-L342 HydrophobicContact CH2-CD2 3.68Å; W336-L342 HydrophobicContact CH2-CG 4.42Å; W336-L342 HydrophobicContact CZ2-CD1 4.49Å; W336-L342 HydrophobicContact CZ2-CD2 3.8Å; W336-L342 HydrophobicContact CZ3-CD1 3.51Å; W336-L342 HydrophobicContact CZ3-CD2 4.27Å; M337-L342 HydrophobicContact CB-CD1 4.07Å; M337-L342 HydrophobicContact CE-CD1 4.37Å; M337-L342 HydrophobicContact CG-CD1 3.77Å; S340-L342 PolarHBondContact O-N 2.98Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; L342-F368 HydrophobicContact CB-CD2 4.1Å; L342-F368 HydrophobicContact CD1-CD2 4.2Å; L342-F368 HydrophobicContact CD1-CE2 4.12Å; L342-F368 PolarHBondContact O-N 3.02Å; L342-H371 HydrophobicContact CD2-CB 4.04Å
343K79.4Confident81.5Confident79 Ų7971.5 Ų71.534%0.34335%0.35SS..THydrogen-bonded Turntrans-83.5-9.3175.1-66.5-164.7177.2-157.80113.7D252 S341 K363 N364D252-K343 IonicContact OD2-NZ 3.91Å; D252-K343 PolarHBondContact OD2-NZ 3.02Å; S341-K343 PolarHBondContact O-N 3.24Å; S341-K343 VanDerWaalsContact O-N 3.11Å; K343-K363 CarbonylContact O-C 3.59Å; K343-K363 VanDerWaalsContact O-CA 3.25Å; K343-K363 WeakPolarHBondContact O-CA 3.36Å; K343-N364 PolarHBondContact O-N 3.34Å
344Q84.1Confident80.5Confident121 Ų12172.3 Ų72.357%0.56536%0.356SS*.EExtended strand (participates in β ladder)trans-129.7131.4176.1-65.3-178.7-2.600107.9S341 L342 K363 H371S341-Q344 PolarHBondContact O-N 3.47Å; L342-Q344 VanDerWaalsContact C-N 3.34Å; Q344-K363 HydrophobicContact CG-CG 4.48Å; Q344-H371 PolarHBondContact O-NE2 3.44Å
345Y83.3Confident79.4Confident18 Ų1873.6 Ų73.67%0.07136%0.363CS..EExtended strand (participates in β ladder)trans-121.2118.3175.1-174.3-80.8000107.6F347 V362 L370 H371 D374Y345-F347 HydrophobicContact CD1-CD1 4.37Å; Y345-F347 HydrophobicContact CD1-CD2 4.06Å; Y345-F347 HydrophobicContact CD1-CE1 4.11Å; Y345-F347 AromaticContact CD1-CE2 3.78Å; Y345-F347 HydrophobicContact CD1-CE2 3.78Å; Y345-F347 HydrophobicContact CD1-CG 4.35Å; Y345-F347 AromaticContact CD1-CZ 3.81Å; Y345-F347 HydrophobicContact CD1-CZ 3.81Å; Y345-F347 AromaticContact CE1-CD1 3.65Å; Y345-F347 HydrophobicContact CE1-CD1 3.65Å; Y345-F347 HydrophobicContact CE1-CD2 4.15Å; Y345-F347 AromaticContact CE1-CE1 3.45Å; Y345-F347 HydrophobicContact CE1-CE1 3.45Å; Y345-F347 VanDerWaalsContact CE1-CE1 3.45Å; Y345-F347 AromaticContact CE1-CE2 3.97Å; Y345-F347 HydrophobicContact CE1-CE2 3.97Å; Y345-F347 AromaticContact CE1-CG 4Å; Y345-F347 HydrophobicContact CE1-CG 4Å; Y345-F347 AromaticContact CE1-CZ 3.62Å; Y345-F347 HydrophobicContact CE1-CZ 3.62Å; Y345-V362 PolarHBondContact N-O 3.29Å; Y345-V362 PolarHBondContact O-N 3.21Å; Y345-V362 VanDerWaalsContact O-N 3.09Å; Y345-L370 HydrophobicContact CD1-CD1 4.33Å; Y345-L370 HydrophobicContact CD2-CB 4.13Å; Y345-L370 HydrophobicContact CE2-CB 4.42Å; Y345-L370 HydrophobicContact CG-CB 4.29Å; Y345-H371 HydrophobicContact CD2-CB 4.48Å; Y345-H371 AromaticContact CD2-CD2 3.66Å; Y345-H371 AromaticContact CD2-CE1 3.35Å; Y345-H371 WeakPolarHBondContact CD2-CE1 3.38Å; Y345-H371 AromaticContact CD2-CG 3.63Å; Y345-H371 AromaticContact CD2-ND1 3.47Å; Y345-H371 WeakPolarHBondContact CD2-ND1 3.42Å; Y345-H371 AromaticContact CD2-NE2 3.48Å; Y345-H371 WeakPolarHBondContact CD2-NE2 3.5Å; Y345-H371 AromaticContact CE2-CE1 3.91Å; Y345-H371 AromaticContact CE2-ND1 3.76Å; Y345-D374 HydrophobicContact CE2-CB 4.32Å; Y345-D374 PolarHBondContact OH-OD1 3.33Å
346S80.2Confident78.6Confident62 Ų6267.9 Ų67.943%0.43434%0.341SS..  trans-106.4135176.661.30000111.4E348 D361S346-E348 PolarHBondContact O-N 2.98Å; S346-D361 WeakPolarHBondContact CA-OD1 3.37Å; S346-D361 WeakPolarHBondContact CB-OD1 3.49Å
347F79.8Confident77.8Confident3 Ų371.2 Ų71.21%0.01337%0.369CS..  trans-87.234.4175.4-67.6-86.6000111.9Y345 L350 R351 I359 D361 V362 L370 L388Y345-F347 HydrophobicContact CD1-CD1 4.37Å; Y345-F347 HydrophobicContact CD1-CD2 4.06Å; Y345-F347 HydrophobicContact CD1-CE1 4.11Å; Y345-F347 AromaticContact CD1-CE2 3.78Å; Y345-F347 HydrophobicContact CD1-CE2 3.78Å; Y345-F347 HydrophobicContact CD1-CG 4.35Å; Y345-F347 AromaticContact CD1-CZ 3.81Å; Y345-F347 HydrophobicContact CD1-CZ 3.81Å; Y345-F347 AromaticContact CE1-CD1 3.65Å; Y345-F347 HydrophobicContact CE1-CD1 3.65Å; Y345-F347 HydrophobicContact CE1-CD2 4.15Å; Y345-F347 AromaticContact CE1-CE1 3.45Å; Y345-F347 HydrophobicContact CE1-CE1 3.45Å; Y345-F347 VanDerWaalsContact CE1-CE1 3.45Å; Y345-F347 AromaticContact CE1-CE2 3.97Å; Y345-F347 HydrophobicContact CE1-CE2 3.97Å; Y345-F347 AromaticContact CE1-CG 4Å; Y345-F347 HydrophobicContact CE1-CG 4Å; Y345-F347 AromaticContact CE1-CZ 3.62Å; Y345-F347 HydrophobicContact CE1-CZ 3.62Å; F347-L350 HydrophobicContact CB-CB 4.29Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.44Å; F347-L350 CarbonylContact O-C 3.56Å; F347-L350 WeakPolarHBondContact O-CB 3.39Å; F347-L350 PolarHBondContact O-N 3.45Å; F347-L350 VanDerWaalsContact O-N 3.09Å; F347-R351 WeakPolarHBondContact O-CG 3.38Å; F347-R351 PolarHBondContact O-N 3.34Å; F347-I359 HydrophobicContact CB-CG2 3.85Å; F347-I359 HydrophobicContact CD1-CG2 4.45Å; F347-I359 HydrophobicContact CD2-CG2 3.63Å; F347-I359 HydrophobicContact CE2-CG2 4.28Å; F347-I359 HydrophobicContact CG-CG2 3.74Å; F347-D361 PolarHBondContact N-OD1 3.1Å; F347-V362 HydrophobicContact CE2-CG2 4.1Å; F347-L370 HydrophobicContact CE2-CD1 4.44Å; F347-L370 HydrophobicContact CZ-CD1 3.85Å; F347-L388 HydrophobicContact CE2-CD1 3.76Å; F347-L388 HydrophobicContact CZ-CD1 3.83Å
348E76.3Confident77.5Confident119 Ų11973.4 Ų73.456%0.55638%0.38SS*.Hα-helixtrans-62.9-49.1-170.8-170168.6-16400112.6S346 L350 R351 E352S346-E348 PolarHBondContact O-N 2.98Å; E348-L350 PolarHBondContact O-N 3.27Å; E348-R351 PolarHBondContact O-N 3.46Å; E348-R351 VanDerWaalsContact O-N 3.09Å; E348-E352 PolarHBondContact O-N 2.88Å
349A71.1Confident77.3Confident61 Ų6167.7 Ų67.750%0.50435%0.351SS..Hα-helixtrans-61.1-21.4175.500000113.3K353A349-K353 WeakPolarHBondContact O-CB 3.39Å; A349-K353 WeakPolarHBondContact O-CD 3.5Å; A349-K353 WeakPolarHBondContact O-CG 3.46Å
350L71.6Confident77.2Confident26 Ų2660.5 Ų60.514%0.13633%0.328CS..Hα-helixtrans-87.4-37.9175.7-85.5165000112.2F347 E348 E352 K353 S354 K382F347-L350 HydrophobicContact CB-CB 4.29Å; F347-L350 HydrophobicContact CD1-CD1 3.74Å; F347-L350 HydrophobicContact CE1-CD1 4.44Å; F347-L350 CarbonylContact O-C 3.56Å; F347-L350 WeakPolarHBondContact O-CB 3.39Å; F347-L350 PolarHBondContact O-N 3.45Å; F347-L350 VanDerWaalsContact O-N 3.09Å; E348-L350 PolarHBondContact O-N 3.27Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.78Å; L350-K353 CarbonylContact O-C 3.4Å; L350-K353 PolarHBondContact O-N 3.06Å; L350-S354 VanDerWaalsContact O-CB 3.26Å; L350-S354 WeakPolarHBondContact O-CB 3.31Å; L350-S354 PolarHBondContact O-N 2.9Å; L350-S354 PolarHBondContact O-OG 2.93Å; L350-K382 HydrophobicContact CD1-CG 4.03Å; L350-K382 HydrophobicContact CD2-CB 4.34Å; L350-K382 HydrophobicContact CD2-CD 4.25Å; L350-K382 HydrophobicContact CD2-CG 3.62Å; L350-K382 HydrophobicContact CG-CG 4.33Å
351R80.6Confident77.5Confident78 Ų7861.7 Ų61.729%0.29433%0.33SS..Hα-helixtrans-63.8-33.6173-73.9-174.7-84.6-176.7-5.5112.2F347 E348 I359 D361F347-R351 WeakPolarHBondContact O-CG 3.38Å; F347-R351 PolarHBondContact O-N 3.34Å; E348-R351 PolarHBondContact O-N 3.46Å; E348-R351 VanDerWaalsContact O-N 3.09Å; R351-I359 HydrophobicContact CG-CB 4.46Å; R351-D361 IonicContact CZ-OD1 2.69Å; R351-D361 IonicContact CZ-OD2 2.91Å; R351-D361 IonicContact NH1-OD2 3.63Å; R351-D361 IonicContact NH2-OD1 2.91Å; R351-D361 PolarHBondContact NH2-OD1 3.27Å; R351-D361 IonicContact NH2-OD2 3.86Å; R351-D361 PolarHBondContact NH2-OD2 3.45Å
352E74.1Confident77.8Confident150 Ų15057.2 Ų57.270%0.70130%0.299SS*.Hα-helixtrans-72.7-35.3173.8-70.1-176.1163.500112.9E348 L350E348-E352 PolarHBondContact O-N 2.88Å; L350-E352 VanDerWaalsContact C-N 3.28Å; L350-E352 PolarHBondContact O-N 2.78Å
353K69.9Low78Confident141 Ų14162.6 Ų62.661%0.61332%0.322SS*.Hα-helixtrans-93.4-7.6-175.6-69.9179.2-175.3175.80114.2Q176 A349 L350Q176-K353 PolarHBondContact NE2-O 2.96Å; A349-K353 WeakPolarHBondContact O-CB 3.39Å; A349-K353 WeakPolarHBondContact O-CD 3.5Å; A349-K353 WeakPolarHBondContact O-CG 3.46Å; L350-K353 CarbonylContact O-C 3.4Å; L350-K353 PolarHBondContact O-N 3.06Å
354S68.7Low78.4Confident19 Ų1961.2 Ų61.213%0.13332%0.319CS..SBendtrans-129.2157.6179.970.20000110.2L350 Y356L350-S354 VanDerWaalsContact O-CB 3.26Å; L350-S354 WeakPolarHBondContact O-CB 3.31Å; L350-S354 PolarHBondContact O-N 2.9Å; L350-S354 PolarHBondContact O-OG 2.93Å; S354-Y356 PolarHBondContact O-N 3.06Å
355N68.7Low78.5Confident58 Ų5855.5 Ų55.531%0.3129%0.292SS..SBendtrans-76.41.8175.8-76.2-18.3000113.1E175 R179 S357E175-N355 PolarHBondContact OE2-ND2 2.84Å; R179-N355 PolarHBondContact NH2-OD1 3.29Å; N355-S357 PolarHBondContact O-N 3.24Å
356Y75.1Confident78.7Confident10 Ų1054.6 Ų54.64%0.03929%0.289CS..  trans-92.989.3179.3-63.5-71.3000110.2T172 S354 I359 S389 V391T172-Y356 HydrophobicContact CG2-CD2 3.87Å; T172-Y356 HydrophobicContact CG2-CE2 3.38Å; S354-Y356 PolarHBondContact O-N 3.06Å; Y356-I359 WeakPolarHBondContact O-CD1 3.37Å; Y356-S389 WeakPolarHBondContact CD1-OG 3.24Å; Y356-V391 HydrophobicContact CD1-CB 4.21Å; Y356-V391 HydrophobicContact CD1-CG1 4.31Å; Y356-V391 HydrophobicContact CE1-CB 4.3Å; Y356-V391 HydrophobicContact CE1-CG1 4.07Å
357S73.9Confident79.1Confident97 Ų9751.7 Ų51.768%0.67827%0.268SS*.  trans-83.3-13.8177.358.20000113.6N355 I359N355-S357 PolarHBondContact O-N 3.24Å; S357-I359 VanDerWaalsContact C-N 3.31Å; S357-I359 PolarHBondContact O-N 2.89Å
358D81.3Confident79.6Confident48 Ų4851.5 Ų51.526%0.25727%0.267SS..  trans-81.2-4.4-175.764.1-43.8000114.1P360 S389 E390 V391D358-P360 WeakPolarHBondContact O-CD 3.46Å; D358-S389 VanDerWaalsContact CG-OG 3.24Å; D358-S389 PolarHBondContact OD1-OG 3.37Å; D358-S389 VanDerWaalsContact OD1-OG 3.04Å; D358-S389 WeakPolarHBondContact OD2-CA 3.45Å; D358-S389 WeakPolarHBondContact OD2-CB 3.35Å; D358-S389 PolarHBondContact OD2-OG 3Å; D358-E390 PolarHBondContact OD2-N 3.48Å; D358-V391 HydrophobicContact CB-CG2 4.31Å; D358-V391 WeakPolarHBondContact OD2-CG2 3.33Å; D358-V391 PolarHBondContact OD2-N 2.97Å
359I81.8Confident80.2Confident3 Ų345.9 Ų45.92%0.01524%0.241CC..PPolyproline II helixtrans-62121.1-178.3-59.4167.2000109.8F347 R351 Y356 S357 L388F347-I359 HydrophobicContact CB-CG2 3.85Å; F347-I359 HydrophobicContact CD1-CG2 4.45Å; F347-I359 HydrophobicContact CD2-CG2 3.63Å; F347-I359 HydrophobicContact CE2-CG2 4.28Å; F347-I359 HydrophobicContact CG-CG2 3.74Å; R351-I359 HydrophobicContact CG-CB 4.46Å; Y356-I359 WeakPolarHBondContact O-CD1 3.37Å; S357-I359 VanDerWaalsContact C-N 3.31Å; S357-I359 PolarHBondContact O-N 2.89Å; I359-L388 HydrophobicContact CG2-CB 4.46Å
360P83.6Confident81Confident33 Ų3343 Ų4321%0.21422%0.217CC..PPolyproline II helixtrans-77.9145.5-176.930.3-34.3000112.2D358 L388D358-P360 WeakPolarHBondContact O-CD 3.46Å; P360-L388 WeakPolarHBondContact CD-O 3.32Å; P360-L388 HydrophobicContact CG-CB 4.34Å
361D84.5Confident81.8Confident71 Ų7143.5 Ų43.538%0.3822%0.218SC..PPolyproline II helixtrans-75.4142.7171-65.6-41.7000110.9S346 F347 R351S346-D361 WeakPolarHBondContact CA-OD1 3.37Å; S346-D361 WeakPolarHBondContact CB-OD1 3.49Å; F347-D361 PolarHBondContact N-OD1 3.1Å; R351-D361 IonicContact CZ-OD1 2.69Å; R351-D361 IonicContact CZ-OD2 2.91Å; R351-D361 IonicContact NH1-OD2 3.63Å; R351-D361 IonicContact NH2-OD1 2.91Å; R351-D361 PolarHBondContact NH2-OD1 3.27Å; R351-D361 IonicContact NH2-OD2 3.86Å; R351-D361 PolarHBondContact NH2-OD2 3.45Å
362V85.3Confident82.1Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-113.2150.8-174-168.30000111.3E249 Y345 F347 F366 A367 L388E249-V362 HydrophobicContact CG-CG1 3.99Å; E249-V362 VanDerWaalsContact OE1-CG1 3.25Å; E249-V362 WeakPolarHBondContact OE1-CG1 3.49Å; Y345-V362 PolarHBondContact N-O 3.29Å; Y345-V362 PolarHBondContact O-N 3.21Å; Y345-V362 VanDerWaalsContact O-N 3.09Å; F347-V362 HydrophobicContact CE2-CG2 4.1Å; V362-F366 HydrophobicContact CB-CD1 3.84Å; V362-F366 HydrophobicContact CB-CE1 4.15Å; V362-F366 HydrophobicContact CG1-CB 3.77Å; V362-F366 HydrophobicContact CG1-CD1 3.04Å; V362-F366 HydrophobicContact CG1-CE1 3.67Å; V362-F366 HydrophobicContact CG1-CG 3.71Å; V362-F366 HydrophobicContact CG2-CD1 4.09Å; V362-F366 HydrophobicContact CG2-CE1 3.87Å; V362-A367 WeakPolarHBondContact O-CB 3.27Å; V362-L388 HydrophobicContact CG2-CD1 4.4Å
363K85.1Confident82.8Confident117 Ų11732.7 Ų32.751%0.50917%0.171SC..EExtended strand (participates in β ladder)trans-124.9164.9-173.5-59.3-177.6-178.5174.90112.4K343 Q344 A367K343-K363 CarbonylContact O-C 3.59Å; K343-K363 VanDerWaalsContact O-CA 3.25Å; K343-K363 WeakPolarHBondContact O-CA 3.36Å; Q344-K363 HydrophobicContact CG-CG 4.48Å; K363-A367 PolarHBondContact O-N 3.36Å
364N87.2Confident83.6Confident51 Ų5128 Ų2827%0.27315%0.153SC..Hα-helixtrans63.8-142.4166.4-63.6-15.1000113.8E249 D252 K343 F366 A367 F368E249-N364 WeakPolarHBondContact O-CB 3.48Å; E249-N364 PolarHBondContact O-ND2 3.47Å; D252-N364 WeakPolarHBondContact OD1-CA 3.38Å; D252-N364 WeakPolarHBondContact OD1-CB 3.44Å; D252-N364 PolarHBondContact OD1-OD1 2.99Å; K343-N364 PolarHBondContact O-N 3.34Å; N364-F366 PolarHBondContact O-N 3.37Å; N364-A367 WeakPolarHBondContact O-CB 3.38Å; N364-A367 PolarHBondContact O-N 3.47Å; N364-F368 PolarHBondContact O-N 2.95Å; N364-F368 VanDerWaalsContact O-N 3.12Å
365D86Confident84.4Confident0 Ų031.2 Ų31.20%017%0.166CC..Hα-helixtrans-55.4-36.2-176.7-84.1-18.3000112.3R148 V248 K251 D252 I253 I254 Y255 F368 I369R148-D365 IonicContact NH1-OD2 2.74Å; R148-D365 PolarHBondContact NH1-OD2 2.76Å; V248-D365 HydrophobicContact CG1-CB 3.82Å; K251-D365 WeakPolarHBondContact O-CB 3.37Å; K251-D365 PolarHBondContact O-N 3.17Å; K251-D365 VanDerWaalsContact O-OD2 3.05Å; D252-D365 WeakPolarHBondContact CA-OD1 3.45Å; I253-D365 VanDerWaalsContact N-CG 3.34Å; I253-D365 PolarHBondContact N-OD1 3.02Å; I253-D365 VanDerWaalsContact N-OD1 3.15Å; I253-D365 PolarHBondContact N-OD2 3.04Å; I254-D365 HydrophobicContact CB-CB 4.45Å; I254-D365 HydrophobicContact CD1-CB 4.42Å; I254-D365 PolarHBondContact N-OD1 2.93Å; I254-D365 PolarHBondContact N-OD2 3.23Å; Y255-D365 PolarHBondContact N-OD1 2.87Å; Y255-D365 VanDerWaalsContact N-OD1 3.09Å; D365-F368 PolarHBondContact O-N 2.83Å; D365-I369 WeakPolarHBondContact O-CD1 3.43Å; D365-I369 WeakPolarHBondContact O-CG1 3.41Å; D365-I369 PolarHBondContact O-N 3.28Å
366F88.3Confident85.3Confident0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-69-42-179.1-171.5-83.1000112.2F244 V248 E249 V362 N364 F368 I369 L370 F384F244-F366 HydrophobicContact CD1-CD2 4.09Å; F244-F366 AromaticContact CD1-CE2 3.69Å; F244-F366 HydrophobicContact CD1-CE2 3.69Å; F244-F366 AromaticContact CE1-CD2 3.67Å; F244-F366 HydrophobicContact CE1-CD2 3.67Å; F244-F366 AromaticContact CE1-CE2 3.59Å; F244-F366 HydrophobicContact CE1-CE2 3.59Å; V248-F366 HydrophobicContact CB-CB 4.35Å; V248-F366 HydrophobicContact CB-CD2 4.34Å; V248-F366 HydrophobicContact CG1-CB 3.85Å; V248-F366 HydrophobicContact CG1-CD2 4.37Å; E249-F366 HydrophobicContact CG-CB 4.42Å; V362-F366 HydrophobicContact CB-CD1 3.84Å; V362-F366 HydrophobicContact CB-CE1 4.15Å; V362-F366 HydrophobicContact CG1-CB 3.77Å; V362-F366 HydrophobicContact CG1-CD1 3.04Å; V362-F366 HydrophobicContact CG1-CE1 3.67Å; V362-F366 HydrophobicContact CG1-CG 3.71Å; V362-F366 HydrophobicContact CG2-CD1 4.09Å; V362-F366 HydrophobicContact CG2-CE1 3.87Å; N364-F366 PolarHBondContact O-N 3.37Å; F366-F368 VanDerWaalsContact C-N 3.28Å; F366-F368 PolarHBondContact O-N 3.46Å; F366-I369 PolarHBondContact O-N 3.04Å; F366-L370 HydrophobicContact CD1-CD1 3.57Å; F366-L370 HydrophobicContact CD1-CG 4.07Å; F366-L370 HydrophobicContact CE1-CD1 3.3Å; F366-L370 HydrophobicContact CE1-CG 4Å; F366-L370 HydrophobicContact CZ-CD1 4.29Å; F366-L370 PolarHBondContact O-N 3.38Å; F366-F384 AromaticContact CE1-CE1 3.9Å; F366-F384 HydrophobicContact CE1-CE1 3.9Å; F366-F384 HydrophobicContact CE1-CZ 4.37Å; F366-F384 HydrophobicContact CE2-CE1 4.43Å; F366-F384 HydrophobicContact CE2-CZ 4.1Å; F366-F384 AromaticContact CZ-CE1 3.4Å; F366-F384 HydrophobicContact CZ-CE1 3.4Å; F366-F384 AromaticContact CZ-CZ 3.44Å; F366-F384 HydrophobicContact CZ-CZ 3.44Å; F366-F384 VanDerWaalsContact CZ-CZ 3.44Å
367A88.6Confident85.9Confident0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-59-42.6173.200000111.3V362 K363 N364 L370 H371V362-A367 WeakPolarHBondContact O-CB 3.27Å; K363-A367 PolarHBondContact O-N 3.36Å; N364-A367 WeakPolarHBondContact O-CB 3.38Å; N364-A367 PolarHBondContact O-N 3.47Å; A367-L370 PolarHBondContact O-N 3.07Å; A367-H371 PolarHBondContact O-CD2 2.81Å; A367-H371 PolarHBondContact O-N 2.89Å
368F89.6Confident86.4Confident0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-63.4-46.2178.7174.8-113000112.5I254 Y255 Y258 M337 L342 N364 D365 F366 L370 H371 L372I254-F368 HydrophobicContact CG2-CD1 3.96Å; I254-F368 HydrophobicContact CG2-CE1 3.97Å; Y255-F368 HydrophobicContact CD2-CB 4.45Å; Y255-F368 AromaticContact CD2-CD2 3.7Å; Y255-F368 HydrophobicContact CD2-CD2 3.7Å; Y255-F368 HydrophobicContact CD2-CE2 4.05Å; Y255-F368 AromaticContact CD2-CG 3.97Å; Y255-F368 HydrophobicContact CD2-CG 3.97Å; Y255-F368 HydrophobicContact CE2-CD2 4.44Å; Y258-F368 HydrophobicContact CD1-CE1 4.39Å; Y258-F368 HydrophobicContact CD1-CE2 4.32Å; Y258-F368 AromaticContact CD1-CZ 3.52Å; Y258-F368 HydrophobicContact CD1-CZ 3.52Å; Y258-F368 HydrophobicContact CE1-CZ 4.08Å; Y258-F368 HydrophobicContact CG-CE1 4.22Å; Y258-F368 AromaticContact CG-CZ 3.78Å; Y258-F368 HydrophobicContact CG-CZ 3.78Å; M337-F368 HydrophobicContact CE-CE2 3.92Å; M337-F368 HydrophobicContact CE-CZ 4.27Å; L342-F368 HydrophobicContact CB-CD2 4.1Å; L342-F368 HydrophobicContact CD1-CD2 4.2Å; L342-F368 HydrophobicContact CD1-CE2 4.12Å; L342-F368 PolarHBondContact O-N 3.02Å; N364-F368 PolarHBondContact O-N 2.95Å; N364-F368 VanDerWaalsContact O-N 3.12Å; D365-F368 PolarHBondContact O-N 2.83Å; F366-F368 VanDerWaalsContact C-N 3.28Å; F366-F368 PolarHBondContact O-N 3.46Å; F368-L370 VanDerWaalsContact C-N 3.33Å; F368-L370 PolarHBondContact O-N 2.96Å; F368-H371 WeakPolarHBondContact O-CB 3.4Å; F368-H371 PolarHBondContact O-N 2.96Å; F368-L372 HydrophobicContact CD1-CD1 4.33Å; F368-L372 HydrophobicContact CE1-CD1 3.68Å; F368-L372 HydrophobicContact CE1-CG 4.41Å; F368-L372 HydrophobicContact CE2-CD1 4.35Å; F368-L372 HydrophobicContact CE2-CD2 4.34Å; F368-L372 HydrophobicContact CE2-CG 4.25Å; F368-L372 HydrophobicContact CZ-CD1 3.69Å; F368-L372 HydrophobicContact CZ-CD2 4.25Å; F368-L372 HydrophobicContact CZ-CG 4.08Å; F368-L372 PolarHBondContact O-N 3.29Å; F368-L372 VanDerWaalsContact O-N 3.09Å
369I89.5Confident86.6Confident0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-64.8-39178.9-60.8161.3000110.8L20 L149 F152 V248 I254 D365 F366 L372 A373L20-I369 HydrophobicContact CD2-CG2 3.59Å; L149-I369 HydrophobicContact CD2-CD1 4.09Å; L149-I369 HydrophobicContact CD2-CG1 4.13Å; F152-I369 HydrophobicContact CD1-CG2 3.33Å; F152-I369 HydrophobicContact CD2-CG2 4.04Å; F152-I369 HydrophobicContact CE1-CG2 3.31Å; F152-I369 HydrophobicContact CE2-CG2 4.01Å; F152-I369 HydrophobicContact CG-CG2 3.7Å; F152-I369 HydrophobicContact CZ-CG2 3.65Å; V248-I369 HydrophobicContact CG1-CD1 4.43Å; I254-I369 HydrophobicContact CD1-CD1 3.65Å; I254-I369 HydrophobicContact CD1-CG1 4.35Å; I254-I369 HydrophobicContact CG2-CG1 4.37Å; D365-I369 WeakPolarHBondContact O-CD1 3.43Å; D365-I369 WeakPolarHBondContact O-CG1 3.41Å; D365-I369 PolarHBondContact O-N 3.28Å; F366-I369 PolarHBondContact O-N 3.04Å; I369-L372 WeakPolarHBondContact O-CB 3.35Å; I369-L372 PolarHBondContact O-N 3.18Å; I369-A373 PolarHBondContact O-N 3.28Å
370L88.3Confident86.9Confident1 Ų136.1 Ų36.11%0.00518%0.18CC..Hα-helixtrans-64.2-41.5174.6-82.1178.2000112.4F152 Y345 F347 F366 A367 F368 L372 A373 D374 F384F152-L370 HydrophobicContact CE2-CD2 4.18Å; F152-L370 HydrophobicContact CE2-CG 4.47Å; F152-L370 HydrophobicContact CZ-CD2 3.99Å; F152-L370 HydrophobicContact CZ-CG 4.49Å; Y345-L370 HydrophobicContact CD1-CD1 4.33Å; Y345-L370 HydrophobicContact CD2-CB 4.13Å; Y345-L370 HydrophobicContact CE2-CB 4.42Å; Y345-L370 HydrophobicContact CG-CB 4.29Å; F347-L370 HydrophobicContact CE2-CD1 4.44Å; F347-L370 HydrophobicContact CZ-CD1 3.85Å; F366-L370 HydrophobicContact CD1-CD1 3.57Å; F366-L370 HydrophobicContact CD1-CG 4.07Å; F366-L370 HydrophobicContact CE1-CD1 3.3Å; F366-L370 HydrophobicContact CE1-CG 4Å; F366-L370 HydrophobicContact CZ-CD1 4.29Å; F366-L370 PolarHBondContact O-N 3.38Å; A367-L370 PolarHBondContact O-N 3.07Å; F368-L370 VanDerWaalsContact C-N 3.33Å; F368-L370 PolarHBondContact O-N 2.96Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L370-A373 PolarHBondContact O-N 3.31Å; L370-D374 WeakPolarHBondContact O-CB 3.26Å; L370-D374 PolarHBondContact O-N 3.45Å; L370-F384 HydrophobicContact CD2-CD1 4.1Å; L370-F384 HydrophobicContact CD2-CE1 4.46Å
371H88.4Confident86.9Confident36 Ų3634.7 Ų34.717%0.16717%0.171CC..Hα-helixtrans-57.6-40.9172.9-84.9-62.3000111.6L342 Q344 Y345 A367 F368 D374 Q375L342-H371 HydrophobicContact CD2-CB 4.04Å; Q344-H371 PolarHBondContact O-NE2 3.44Å; Y345-H371 HydrophobicContact CD2-CB 4.48Å; Y345-H371 AromaticContact CD2-CD2 3.66Å; Y345-H371 AromaticContact CD2-CE1 3.35Å; Y345-H371 WeakPolarHBondContact CD2-CE1 3.38Å; Y345-H371 AromaticContact CD2-CG 3.63Å; Y345-H371 AromaticContact CD2-ND1 3.47Å; Y345-H371 WeakPolarHBondContact CD2-ND1 3.42Å; Y345-H371 AromaticContact CD2-NE2 3.48Å; Y345-H371 WeakPolarHBondContact CD2-NE2 3.5Å; Y345-H371 AromaticContact CE2-CE1 3.91Å; Y345-H371 AromaticContact CE2-ND1 3.76Å; A367-H371 PolarHBondContact O-CD2 2.81Å; A367-H371 PolarHBondContact O-N 2.89Å; F368-H371 WeakPolarHBondContact O-CB 3.4Å; F368-H371 PolarHBondContact O-N 2.96Å; H371-D374 PolarHBondContact O-N 3.44Å; H371-Q375 WeakPolarHBondContact O-CG 3.41Å; H371-Q375 PolarHBondContact O-N 2.77Å; H371-Q375 VanDerWaalsContact O-N 3.16Å
372L87.4Confident86.9Confident0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-64.8-44.2176.2-68.2177.2000112.3P22 W139 W336 F368 I369 L370 D374 Q375 Y376P22-L372 HydrophobicContact CG-CD2 3.85Å; W139-L372 HydrophobicContact CH2-CD1 4.24Å; W336-L372 HydrophobicContact CH2-CD2 4.49Å; F368-L372 HydrophobicContact CD1-CD1 4.33Å; F368-L372 HydrophobicContact CE1-CD1 3.68Å; F368-L372 HydrophobicContact CE1-CG 4.41Å; F368-L372 HydrophobicContact CE2-CD1 4.35Å; F368-L372 HydrophobicContact CE2-CD2 4.34Å; F368-L372 HydrophobicContact CE2-CG 4.25Å; F368-L372 HydrophobicContact CZ-CD1 3.69Å; F368-L372 HydrophobicContact CZ-CD2 4.25Å; F368-L372 HydrophobicContact CZ-CG 4.08Å; F368-L372 PolarHBondContact O-N 3.29Å; F368-L372 VanDerWaalsContact O-N 3.09Å; I369-L372 WeakPolarHBondContact O-CB 3.35Å; I369-L372 PolarHBondContact O-N 3.18Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.15Å; L372-D374 VanDerWaalsContact C-N 3.32Å; L372-D374 PolarHBondContact O-N 3.13Å; L372-Q375 PolarHBondContact O-N 3.37Å; L372-Y376 PolarHBondContact O-N 2.74Å
373A87.6Confident87Confident1 Ų137.8 Ų37.81%0.00818%0.18CC..Hα-helixtrans-65.6-35177.100000112.3F152 I369 L370 Q375 Y376 D377F152-A373 HydrophobicContact CE1-CB 4.47Å; I369-A373 PolarHBondContact O-N 3.28Å; L370-A373 PolarHBondContact O-N 3.31Å; A373-Q375 VanDerWaalsContact C-N 3.34Å; A373-Y376 WeakPolarHBondContact O-CB 3.22Å; A373-Y376 PolarHBondContact O-N 2.68Å; A373-Y376 VanDerWaalsContact O-N 3.1Å; A373-D377 PolarHBondContact O-N 3.3Å
374D86.9Confident87.2Confident44 Ų4432.3 Ų32.324%0.23516%0.156CC..Hα-helixtrans-68.3-32.7178.2-161.966.4000112.3Y345 L370 H371 L372 Y376 S381Y345-D374 HydrophobicContact CE2-CB 4.32Å; Y345-D374 PolarHBondContact OH-OD1 3.33Å; L370-D374 WeakPolarHBondContact O-CB 3.26Å; L370-D374 PolarHBondContact O-N 3.45Å; H371-D374 PolarHBondContact O-N 3.44Å; L372-D374 VanDerWaalsContact C-N 3.32Å; L372-D374 PolarHBondContact O-N 3.13Å; D374-Y376 PolarHBondContact O-N 2.91Å; D374-S381 WeakPolarHBondContact OD1-CB 3.26Å; D374-S381 PolarHBondContact OD1-OG 2.97Å
375Q86.3Confident87.1Confident86 Ų8630.1 Ų30.140%0.40214%0.144SC..Hα-helixtrans-68.6-22.3170.9-66.9-57.3-58.700113.1W24 W336 H371 L372 A373W24-Q375 HydrophobicContact CH2-CG 4.49Å; W336-Q375 HydrophobicContact CH2-CG 4.48Å; W336-Q375 HydrophobicContact CZ2-CG 4.04Å; H371-Q375 WeakPolarHBondContact O-CG 3.41Å; H371-Q375 PolarHBondContact O-N 2.77Å; H371-Q375 VanDerWaalsContact O-N 3.16Å; L372-Q375 PolarHBondContact O-N 3.37Å; A373-Q375 VanDerWaalsContact C-N 3.34Å
376Y87.4Confident87.2Confident93 Ų9330.2 Ų30.237%0.36515%0.145SC..Hα-helixtrans-82.1-59.4175.6-179.9-97.3000111.1H18 I19 L372 A373 D374 Y380H18-Y376 AromaticContact CE1-CE2 3.46Å; H18-Y376 VanDerWaalsContact CE1-CE2 3.46Å; H18-Y376 WeakPolarHBondContact CE1-CE2 3.3Å; H18-Y376 AromaticContact CE1-CZ 3.86Å; H18-Y376 PolarHBondContact CE1-OH 2.95Å; H18-Y376 AromaticContact ND1-CE2 3.27Å; H18-Y376 VanDerWaalsContact ND1-CE2 3.27Å; H18-Y376 WeakPolarHBondContact ND1-CE2 3.12Å; H18-Y376 AromaticContact ND1-CZ 3.43Å; H18-Y376 PolarHBondContact ND1-OH 3.2Å; I19-Y376 HydrophobicContact CB-CD1 4.47Å; I19-Y376 HydrophobicContact CG1-CE1 4.38Å; I19-Y376 HydrophobicContact CG2-CD1 4.08Å; I19-Y376 WeakPolarHBondContact O-CB 3.26Å; L372-Y376 PolarHBondContact O-N 2.74Å; A373-Y376 WeakPolarHBondContact O-CB 3.22Å; A373-Y376 PolarHBondContact O-N 2.68Å; A373-Y376 VanDerWaalsContact O-N 3.1Å; D374-Y376 PolarHBondContact O-N 2.91Å; Y376-Y380 HydrophobicContact CD1-CD2 4.37Å; Y376-Y380 HydrophobicContact CD1-CE2 4.05Å; Y376-Y380 HydrophobicContact CE1-CE2 4.04Å
377D86.7Confident87.2Confident47 Ų4730.5 Ų30.525%0.25115%0.146SC..  trans-154.9120.9174.7-178.4-5.4000110.7A373 L379 Y380A373-D377 PolarHBondContact O-N 3.3Å; D377-L379 PolarHBondContact O-N 3.45Å; D377-L379 VanDerWaalsContact O-N 3.12Å; D377-L379 WeakPolarHBondContact OD1-CB 3.39Å; D377-L379 VanDerWaalsContact OD1-CG 3.32Å; D377-L379 WeakPolarHBondContact OD1-CG 3.19Å; D377-L379 PolarHBondContact OD1-N 2.85Å; D377-Y380 HydrophobicContact CB-CD2 3.95Å; D377-Y380 HydrophobicContact CB-CE2 4.21Å; D377-Y380 PolarHBondContact O-N 2.95Å
378P84.8Confident87.1Confident64 Ų6431.3 Ų31.342%0.41615%0.15SC..Hα-helixtrans-65.2-12.917928.8-37.2000113.5Y380 S381 K382P378-Y380 VanDerWaalsContact C-N 3.25Å; P378-Y380 PolarHBondContact O-N 2.97Å; P378-S381 PolarHBondContact O-N 3.33Å; P378-S381 PolarHBondContact O-OG 2.84Å; P378-K382 VanDerWaalsContact O-CG 3.27Å; P378-K382 WeakPolarHBondContact O-CG 3.47Å; P378-K382 PolarHBondContact O-N 2.71Å; P378-K382 VanDerWaalsContact O-N 3.15Å
379L85.9Confident86.9Confident83 Ų8331.4 Ų31.444%0.43515%0.151SC..Hα-helixtrans-63.9-31.6175.7-67.6176.3000112.7D377 K382 R383D377-L379 PolarHBondContact O-N 3.45Å; D377-L379 VanDerWaalsContact O-N 3.12Å; D377-L379 WeakPolarHBondContact OD1-CB 3.39Å; D377-L379 VanDerWaalsContact OD1-CG 3.32Å; D377-L379 WeakPolarHBondContact OD1-CG 3.19Å; D377-L379 PolarHBondContact OD1-N 2.85Å; L379-K382 HydrophobicContact CD2-CD 4.47Å; L379-K382 PolarHBondContact O-N 3.03Å; L379-R383 PolarHBondContact O-N 3.07Å
380Y87.1Confident86.7Confident31 Ų3137.8 Ų37.812%0.12218%0.181CC..Hα-helixtrans-66-46.1176.7-75.6-72.9000111.6I19 L156 F160 Y376 D377 P378 K382 R383 F384I19-Y380 HydrophobicContact CD1-CE1 4.32Å; I19-Y380 HydrophobicContact CG2-CD2 4.19Å; I19-Y380 HydrophobicContact CG2-CE2 4.13Å; L156-Y380 HydrophobicContact CD1-CD1 4.44Å; L156-Y380 HydrophobicContact CD2-CD1 3.46Å; L156-Y380 VanDerWaalsContact CD2-CD1 3.46Å; L156-Y380 HydrophobicContact CD2-CE1 3.99Å; L156-Y380 HydrophobicContact CD2-CG 3.8Å; L156-Y380 HydrophobicContact CG-CD1 3.67Å; L156-Y380 HydrophobicContact CG-CE1 4.37Å; L156-Y380 HydrophobicContact CG-CG 4.29Å; F160-Y380 HydrophobicContact CB-CD1 4.42Å; F160-Y380 HydrophobicContact CB-CE1 4.12Å; F160-Y380 AromaticContact CD2-CD1 3.88Å; F160-Y380 HydrophobicContact CD2-CD1 3.88Å; F160-Y380 AromaticContact CD2-CE1 3.7Å; F160-Y380 HydrophobicContact CD2-CE1 3.7Å; F160-Y380 HydrophobicContact CE2-CE1 4.35Å; F160-Y380 HydrophobicContact CG-CD1 4.44Å; F160-Y380 AromaticContact CG-CE1 3.99Å; F160-Y380 HydrophobicContact CG-CE1 3.99Å; Y376-Y380 HydrophobicContact CD1-CD2 4.37Å; Y376-Y380 HydrophobicContact CD1-CE2 4.05Å; Y376-Y380 HydrophobicContact CE1-CE2 4.04Å; D377-Y380 HydrophobicContact CB-CD2 3.95Å; D377-Y380 HydrophobicContact CB-CE2 4.21Å; D377-Y380 PolarHBondContact O-N 2.95Å; P378-Y380 VanDerWaalsContact C-N 3.25Å; P378-Y380 PolarHBondContact O-N 2.97Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3.36Å; Y380-R383 PolarHBondContact O-N 2.82Å; Y380-F384 WeakPolarHBondContact O-CB 3.46Å; Y380-F384 PolarHBondContact O-N 3.03Å
381S84.9Confident86.5Confident4 Ų441 Ų413%0.02820%0.201CC..Hα-helixtrans-63.4-39177.960.90000111.3D374 P378 S385D374-S381 WeakPolarHBondContact OD1-CB 3.26Å; D374-S381 PolarHBondContact OD1-OG 2.97Å; P378-S381 PolarHBondContact O-N 3.33Å; P378-S381 PolarHBondContact O-OG 2.84Å; S381-S385 WeakPolarHBondContact O-CB 3.29Å; S381-S385 PolarHBondContact O-N 3.14Å
382K84.5Confident86.4Confident79 Ų7939.3 Ų39.334%0.34319%0.193SC..Hα-helixtrans-62.6-48175.1-69.6-174.8-176.1176.50114.3L350 P378 L379 Y380 F384 S385L350-K382 HydrophobicContact CD1-CG 4.03Å; L350-K382 HydrophobicContact CD2-CB 4.34Å; L350-K382 HydrophobicContact CD2-CD 4.25Å; L350-K382 HydrophobicContact CD2-CG 3.62Å; L350-K382 HydrophobicContact CG-CG 4.33Å; P378-K382 VanDerWaalsContact O-CG 3.27Å; P378-K382 WeakPolarHBondContact O-CG 3.47Å; P378-K382 PolarHBondContact O-N 2.71Å; P378-K382 VanDerWaalsContact O-N 3.15Å; L379-K382 HydrophobicContact CD2-CD 4.47Å; L379-K382 PolarHBondContact O-N 3.03Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3.36Å; K382-F384 VanDerWaalsContact C-N 3.34Å; K382-S385 PolarHBondContact O-OG 3.09Å
383R87.4Confident86.4Confident57 Ų5741.6 Ų41.622%0.21520%0.203CC..Hα-helixtrans-70.5-36.2179.2-73.9-171178.8-173.52111.4F160 T165 L169 L379 Y380F160-R383 PolarHBondContact O-NH1 2.73Å; T165-R383 HydrophobicContact CG2-CB 4.39Å; L169-R383 HydrophobicContact CD1-CG 4.02Å; L379-R383 PolarHBondContact O-N 3.07Å; Y380-R383 PolarHBondContact O-N 2.82Å
384F88.5Confident86.3Confident2 Ų245.6 Ų45.61%0.00923%0.225CC..Hα-helixtrans-65.9-38.6178-173-94.7000112.5I155 L156 C159 V241 F366 L370 Y380 K382 I386 F387 L388I155-F384 HydrophobicContact CG2-CE2 3.97Å; L156-F384 HydrophobicContact CD1-CB 4.46Å; L156-F384 HydrophobicContact CD1-CD2 4.18Å; L156-F384 HydrophobicContact CD1-CG 4.47Å; C159-F384 HydrophobicContact CB-CD2 4.38Å; V241-F384 HydrophobicContact CG1-CE2 4.27Å; V241-F384 HydrophobicContact CG1-CZ 3.83Å; V241-F384 HydrophobicContact CG2-CE2 4.11Å; V241-F384 HydrophobicContact CG2-CZ 4.47Å; F366-F384 AromaticContact CE1-CE1 3.9Å; F366-F384 HydrophobicContact CE1-CE1 3.9Å; F366-F384 HydrophobicContact CE1-CZ 4.37Å; F366-F384 HydrophobicContact CE2-CE1 4.43Å; F366-F384 HydrophobicContact CE2-CZ 4.1Å; F366-F384 AromaticContact CZ-CE1 3.4Å; F366-F384 HydrophobicContact CZ-CE1 3.4Å; F366-F384 AromaticContact CZ-CZ 3.44Å; F366-F384 HydrophobicContact CZ-CZ 3.44Å; F366-F384 VanDerWaalsContact CZ-CZ 3.44Å; L370-F384 HydrophobicContact CD2-CD1 4.1Å; L370-F384 HydrophobicContact CD2-CE1 4.46Å; Y380-F384 WeakPolarHBondContact O-CB 3.46Å; Y380-F384 PolarHBondContact O-N 3.03Å; K382-F384 VanDerWaalsContact C-N 3.34Å; F384-I386 PolarHBondContact O-N 3.1Å; F384-F387 PolarHBondContact O-N 2.91Å; F384-L388 HydrophobicContact CD1-CD1 4.02Å; F384-L388 HydrophobicContact CD1-CG 4.31Å; F384-L388 HydrophobicContact CE1-CD1 3.74Å; F384-L388 HydrophobicContact CE1-CD2 4.12Å; F384-L388 HydrophobicContact CE1-CG 3.89Å
385S85.8Confident86.1Confident4 Ų446.7 Ų46.73%0.02823%0.227CC..Hα-helixtrans-62.3-27.9-177.7720000113.7S381 K382 F387 L388 S389S381-S385 WeakPolarHBondContact O-CB 3.29Å; S381-S385 PolarHBondContact O-N 3.14Å; K382-S385 PolarHBondContact O-OG 3.09Å; S385-F387 VanDerWaalsContact C-N 3.28Å; S385-F387 PolarHBondContact O-N 3.47Å; S385-L388 WeakPolarHBondContact O-CB 3.3Å; S385-L388 PolarHBondContact O-N 3.26Å; S385-L388 VanDerWaalsContact O-N 3.08Å; S385-S389 PolarHBondContact O-N 3.38Å
386I86.9Confident86.2Confident3 Ų342.7 Ų42.72%0.01521%0.209CC..Hα-helixtrans-61-40.3175.2-58.2162.8000110.4T165 A168 L169 F384 L388 S389 S392T165-I386 HydrophobicContact CG2-CD1 4.26Å; A168-I386 HydrophobicContact CB-CD1 4.35Å; A168-I386 HydrophobicContact CB-CG2 3.78Å; L169-I386 HydrophobicContact CD1-CD1 3.92Å; L169-I386 HydrophobicContact CD2-CD1 3.74Å; L169-I386 HydrophobicContact CD2-CG1 4.36Å; L169-I386 HydrophobicContact CG-CD1 3.47Å; L169-I386 VanDerWaalsContact CG-CD1 3.47Å; F384-I386 PolarHBondContact O-N 3.1Å; I386-L388 PolarHBondContact O-N 2.91Å; I386-S389 PolarHBondContact O-N 3.23Å; I386-S392 PolarHBondContact O-OG 2.88Å
387F87.8Confident86.1Confident6 Ų641.7 Ų41.73%0.02621%0.206CC..THydrogen-bonded Turntrans-74.7-4.6178.7-71.8-73.9000113.9C159 T165 A234 I237 F238 V241 F384 S385C159-F387 HydrophobicContact CB-CD2 3.82Å; C159-F387 HydrophobicContact CB-CE2 3.75Å; C159-F387 VanDerWaalsContact SG-CD2 3.53Å; T165-F387 HydrophobicContact CG2-CD2 3.82Å; T165-F387 HydrophobicContact CG2-CE2 3.05Å; T165-F387 HydrophobicContact CG2-CZ 3.64Å; A234-F387 HydrophobicContact CB-CE1 4.46Å; I237-F387 HydrophobicContact CB-CD1 4.41Å; I237-F387 HydrophobicContact CB-CE1 4.04Å; I237-F387 HydrophobicContact CB-CZ 4.44Å; I237-F387 HydrophobicContact CD1-CZ 4.43Å; I237-F387 HydrophobicContact CG2-CD1 3.82Å; I237-F387 HydrophobicContact CG2-CD2 4.36Å; I237-F387 HydrophobicContact CG2-CE1 3.73Å; I237-F387 HydrophobicContact CG2-CE2 4.22Å; I237-F387 HydrophobicContact CG2-CG 4.15Å; I237-F387 HydrophobicContact CG2-CZ 3.93Å; F238-F387 HydrophobicContact CD1-CB 4.45Å; F238-F387 HydrophobicContact CD1-CD1 4.12Å; F238-F387 VanDerWaalsContact CD1-O 3.32Å; F238-F387 WeakPolarHBondContact CD1-O 3.4Å; F238-F387 AromaticContact CD2-CD1 3.64Å; F238-F387 HydrophobicContact CD2-CD1 3.64Å; F238-F387 AromaticContact CD2-CE1 3.95Å; F238-F387 HydrophobicContact CD2-CE1 3.95Å; F238-F387 VanDerWaalsContact CE1-CA 3.46Å; F238-F387 HydrophobicContact CE1-CB 4.31Å; F238-F387 HydrophobicContact CE1-CD1 4.02Å; F238-F387 WeakPolarHBondContact CE1-O 3.45Å; F238-F387 AromaticContact CE2-CD1 3.48Å; F238-F387 HydrophobicContact CE2-CD1 3.48Å; F238-F387 VanDerWaalsContact CE2-CD1 3.48Å; F238-F387 AromaticContact CE2-CE1 3.72Å; F238-F387 HydrophobicContact CE2-CE1 3.72Å; F238-F387 AromaticContact CG-CD1 3.94Å; F238-F387 HydrophobicContact CG-CD1 3.94Å; F238-F387 AromaticContact CZ-CD1 3.68Å; F238-F387 HydrophobicContact CZ-CD1 3.68Å; F238-F387 HydrophobicContact CZ-CE1 4.29Å; F238-F387 HydrophobicContact CZ-CG 4.47Å; V241-F387 HydrophobicContact CG2-CB 4.25Å; F384-F387 PolarHBondContact O-N 2.91Å; S385-F387 VanDerWaalsContact C-N 3.28Å; S385-F387 PolarHBondContact O-N 3.47Å
388L86.4Confident86Confident17 Ų1741.9 Ų41.99%0.08921%0.206CC..THydrogen-bonded Turntrans-96.5-11.2172.1-66.7174.7000113.1V241 F347 I359 P360 V362 F384 S385 I386V241-L388 HydrophobicContact CG1-CD2 3.76Å; F347-L388 HydrophobicContact CE2-CD1 3.76Å; F347-L388 HydrophobicContact CZ-CD1 3.83Å; I359-L388 HydrophobicContact CG2-CB 4.46Å; P360-L388 WeakPolarHBondContact CD-O 3.32Å; P360-L388 HydrophobicContact CG-CB 4.34Å; V362-L388 HydrophobicContact CG2-CD1 4.4Å; F384-L388 HydrophobicContact CD1-CD1 4.02Å; F384-L388 HydrophobicContact CD1-CG 4.31Å; F384-L388 HydrophobicContact CE1-CD1 3.74Å; F384-L388 HydrophobicContact CE1-CD2 4.12Å; F384-L388 HydrophobicContact CE1-CG 3.89Å; S385-L388 WeakPolarHBondContact O-CB 3.3Å; S385-L388 PolarHBondContact O-N 3.26Å; S385-L388 VanDerWaalsContact O-N 3.08Å; I386-L388 PolarHBondContact O-N 2.91Å
389S87.2Confident85.9Confident2 Ų240.3 Ų40.31%0.01419%0.193CC..  trans-83.6134.6-179.6165.60000111.3Y356 D358 S385 I386 V391 S392 E393Y356-S389 WeakPolarHBondContact CD1-OG 3.24Å; D358-S389 VanDerWaalsContact CG-OG 3.24Å; D358-S389 PolarHBondContact OD1-OG 3.37Å; D358-S389 VanDerWaalsContact OD1-OG 3.04Å; D358-S389 WeakPolarHBondContact OD2-CA 3.45Å; D358-S389 WeakPolarHBondContact OD2-CB 3.35Å; D358-S389 PolarHBondContact OD2-OG 3Å; S385-S389 PolarHBondContact O-N 3.38Å; I386-S389 PolarHBondContact O-N 3.23Å; S389-V391 PolarHBondContact OG-N 3.4Å; S389-S392 PolarHBondContact O-OG 3.35Å; S389-S392 PolarHBondContact OG-N 3.26Å; S389-S392 VanDerWaalsContact OG-N 3.13Å; S389-E393 PolarHBondContact O-N 3.3Å
390E84.4Confident86Confident134 Ų13437.1 Ų37.163%0.62618%0.177SC*.Hα-helixtrans-77.3-34174.3-66.1-175.4172.300110.9D358 S392 E393 N394D358-E390 PolarHBondContact OD2-N 3.48Å; E390-S392 VanDerWaalsContact C-N 3.33Å; E390-S392 PolarHBondContact O-N 2.95Å; E390-E393 WeakPolarHBondContact O-CB 3.42Å; E390-E393 PolarHBondContact O-N 3.32Å; E390-N394 PolarHBondContact O-N 3.47Å
391V84.4Confident85.9Confident69 Ų6936.2 Ų36.242%0.41817%0.174SC..Hα-helixtrans-62.5-42.5175.6176.80000110.8Y356 D358 S389 E393 N394 K395Y356-V391 HydrophobicContact CD1-CB 4.21Å; Y356-V391 HydrophobicContact CD1-CG1 4.31Å; Y356-V391 HydrophobicContact CE1-CB 4.3Å; Y356-V391 HydrophobicContact CE1-CG1 4.07Å; D358-V391 HydrophobicContact CB-CG2 4.31Å; D358-V391 WeakPolarHBondContact OD2-CG2 3.33Å; D358-V391 PolarHBondContact OD2-N 2.97Å; S389-V391 PolarHBondContact OG-N 3.4Å; V391-E393 VanDerWaalsContact C-N 3.35Å; V391-N394 PolarHBondContact O-N 3.45Å; V391-K395 WeakPolarHBondContact O-CG 3.46Å; V391-K395 PolarHBondContact O-N 3.38Å
392S86.4Confident86Confident0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-66-37.817679.30000111.6W164 F238 I386 S389 E390 K395 L396W164-S392 WeakPolarHBondContact CZ2-O 3.37Å; F238-S392 WeakPolarHBondContact CE1-OG 3.18Å; F238-S392 WeakPolarHBondContact CZ-OG 3.44Å; I386-S392 PolarHBondContact O-OG 2.88Å; S389-S392 PolarHBondContact O-OG 3.35Å; S389-S392 PolarHBondContact OG-N 3.26Å; S389-S392 VanDerWaalsContact OG-N 3.13Å; E390-S392 VanDerWaalsContact C-N 3.33Å; E390-S392 PolarHBondContact O-N 2.95Å; S392-K395 PolarHBondContact O-N 2.96Å; S392-L396 PolarHBondContact O-N 3.01Å
393E87.2Confident86Confident47 Ų4735.5 Ų35.522%0.2217%0.174CC..Hα-helixtrans-63.2-42.7175.3-167.2-171.5148.500111.1F238 S389 E390 V391 L396 K397F238-E393 HydrophobicContact CD1-CB 4.04Å; F238-E393 HydrophobicContact CD1-CG 4.09Å; F238-E393 HydrophobicContact CE1-CB 3.86Å; F238-E393 HydrophobicContact CE1-CG 4.37Å; F238-E393 HydrophobicContact CG-CG 4.22Å; F238-E393 HydrophobicContact CZ-CB 4.3Å; S389-E393 PolarHBondContact O-N 3.3Å; E390-E393 WeakPolarHBondContact O-CB 3.42Å; E390-E393 PolarHBondContact O-N 3.32Å; V391-E393 VanDerWaalsContact C-N 3.35Å; E393-L396 PolarHBondContact O-N 3.06Å; E393-K397 WeakPolarHBondContact O-CG 3.44Å; E393-K397 PolarHBondContact O-N 3.43Å; E393-K397 WeakPolarHBondContact OE1-CE 3.46Å; E393-K397 IonicContact OE1-NZ 3.12Å; E393-K397 PolarHBondContact OE1-NZ 2.82Å
394N84.8Confident85.9Confident86 Ų8636.9 Ų36.946%0.4618%0.182SC..Hα-helixtrans-66.7-40.8177.4-70.8-17.7000112E390 V391 L396 K397 Q398E390-N394 PolarHBondContact O-N 3.47Å; V391-N394 PolarHBondContact O-N 3.45Å; N394-L396 VanDerWaalsContact C-N 3.33Å; N394-L396 PolarHBondContact O-N 2.92Å; N394-K397 PolarHBondContact O-N 3.13Å; N394-Q398 PolarHBondContact O-N 3.44Å
395K84.1Confident85.7Confident66 Ų6638.7 Ų38.729%0.28719%0.189SC..Hα-helixtrans-58.4-44.5171.3-77.5-173.7171.8-167.80111.6W164 E171 V391 S392 Q398 I399W164-K395 HydrophobicContact CH2-CB 4.23Å; W164-K395 HydrophobicContact CZ2-CB 4.39Å; E171-K395 IonicContact OE2-NZ 2.83Å; V391-K395 WeakPolarHBondContact O-CG 3.46Å; V391-K395 PolarHBondContact O-N 3.38Å; S392-K395 PolarHBondContact O-N 2.96Å; K395-Q398 PolarHBondContact O-N 3.16Å; K395-I399 WeakPolarHBondContact O-CG1 3.32Å; K395-I399 PolarHBondContact O-N 2.88Å; K395-I399 VanDerWaalsContact O-N 3.09Å
396L87.5Confident85.8Confident3 Ų341.6 Ų41.62%0.01621%0.207CC..Hα-helixtrans-63.2-43.5176.7179.565000111.8W164 L226 A234 K235 F238 S392 E393 N394 Q398 I399 N400W164-L396 HydrophobicContact CD2-CD1 3.88Å; W164-L396 HydrophobicContact CE3-CD1 3.74Å; W164-L396 HydrophobicContact CH2-CB 3.95Å; W164-L396 HydrophobicContact CH2-CD1 4.24Å; W164-L396 HydrophobicContact CZ2-CB 3.66Å; W164-L396 HydrophobicContact CZ2-CD1 4.36Å; W164-L396 HydrophobicContact CZ3-CB 4.5Å; W164-L396 HydrophobicContact CZ3-CD1 3.93Å; L226-L396 HydrophobicContact CD2-CD1 4.1Å; A234-L396 HydrophobicContact CB-CD1 4.2Å; A234-L396 HydrophobicContact CB-CD2 3.59Å; K235-L396 HydrophobicContact CB-CD2 4.46Å; F238-L396 HydrophobicContact CD2-CD2 3.74Å; F238-L396 HydrophobicContact CE2-CD2 3.62Å; S392-L396 PolarHBondContact O-N 3.01Å; E393-L396 PolarHBondContact O-N 3.06Å; N394-L396 VanDerWaalsContact C-N 3.33Å; N394-L396 PolarHBondContact O-N 2.92Å; L396-Q398 VanDerWaalsContact C-N 3.31Å; L396-Q398 PolarHBondContact O-N 3.3Å; L396-I399 PolarHBondContact O-N 3.41Å; L396-N400 WeakPolarHBondContact O-CB 3.43Å; L396-N400 PolarHBondContact O-N 3.01Å
397K85.3Confident85.8Confident71 Ų7143.2 Ų43.231%0.30922%0.217SC..Hα-helixtrans-59.2-41.8176.3-75.6171.6-175160.10111.7E393 N394 N400 L401E393-K397 WeakPolarHBondContact O-CG 3.44Å; E393-K397 PolarHBondContact O-N 3.43Å; E393-K397 WeakPolarHBondContact OE1-CE 3.46Å; E393-K397 IonicContact OE1-NZ 3.12Å; E393-K397 PolarHBondContact OE1-NZ 2.82Å; N394-K397 PolarHBondContact O-N 3.13Å; K397-N400 PolarHBondContact O-N 3.4Å; K397-L401 VanDerWaalsContact O-CB 3.3Å; K397-L401 WeakPolarHBondContact O-CB 3.46Å; K397-L401 PolarHBondContact O-N 3.29Å
398Q84.1Confident85.8Confident52 Ų5250.8 Ų50.824%0.24325%0.252CS..Hα-helixtrans-62.9-46.5177-174.367.29.700111.8N394 K395 L396 N400 L401 N402 L432 D434N394-Q398 PolarHBondContact O-N 3.44Å; K395-Q398 PolarHBondContact O-N 3.16Å; L396-Q398 VanDerWaalsContact C-N 3.31Å; L396-Q398 PolarHBondContact O-N 3.3Å; Q398-N400 PolarHBondContact O-N 3.07Å; Q398-L401 WeakPolarHBondContact O-CB 3.09Å; Q398-L401 PolarHBondContact O-N 2.74Å; Q398-N402 VanDerWaalsContact O-CG 3.31Å; Q398-N402 PolarHBondContact O-N 2.97Å; Q398-L432 PolarHBondContact NE2-O 3.46Å; Q398-D434 PolarHBondContact NE2-OD1 3.09Å
399I84.3Confident85.9Confident30 Ų3054 Ų5415%0.15427%0.266CS..Hα-helixtrans-63.9-42.7178.1-67.7165.6000111.1W164 L226 K395 L396 L401 N402 N403W164-I399 HydrophobicContact CH2-CD1 3.78Å; W164-I399 HydrophobicContact CZ3-CD1 3.57Å; L226-I399 HydrophobicContact CB-CG2 4.41Å; K395-I399 WeakPolarHBondContact O-CG1 3.32Å; K395-I399 PolarHBondContact O-N 2.88Å; K395-I399 VanDerWaalsContact O-N 3.09Å; L396-I399 PolarHBondContact O-N 3.41Å; I399-L401 VanDerWaalsContact C-N 3.31Å; I399-L401 PolarHBondContact O-N 3.29Å; I399-N402 PolarHBondContact O-N 3.23Å; I399-N403 PolarHBondContact O-N 3.15Å
400N86.6Confident86Confident16 Ų1654 Ų549%0.08627%0.265CS..Hα-helixtrans-62.1-40.3175.2-76.9-19000111.8G231 L396 K397 Q398 N403 E404G231-N400 VanDerWaalsContact CA-OD1 3.26Å; G231-N400 WeakPolarHBondContact CA-OD1 3.39Å; G231-N400 PolarHBondContact O-ND2 3.05Å; L396-N400 WeakPolarHBondContact O-CB 3.43Å; L396-N400 PolarHBondContact O-N 3.01Å; K397-N400 PolarHBondContact O-N 3.4Å; Q398-N400 PolarHBondContact O-N 3.07Å; N400-N403 PolarHBondContact O-N 3.15Å; N400-E404 WeakPolarHBondContact O-CG 3.47Å; N400-E404 PolarHBondContact O-N 3.06Å
401L86.3Confident86.2Confident13 Ų1352.9 Ų52.97%0.06826%0.258CS..Hα-helixtrans-61.5-45.7175.7-171.975.5000111K397 Q398 I399 N403 E404 W405 L429 G431 P433K397-L401 VanDerWaalsContact O-CB 3.3Å; K397-L401 WeakPolarHBondContact O-CB 3.46Å; K397-L401 PolarHBondContact O-N 3.29Å; Q398-L401 WeakPolarHBondContact O-CB 3.09Å; Q398-L401 PolarHBondContact O-N 2.74Å; I399-L401 VanDerWaalsContact C-N 3.31Å; I399-L401 PolarHBondContact O-N 3.29Å; L401-N403 VanDerWaalsContact C-N 3.3Å; L401-N403 PolarHBondContact O-N 3.01Å; L401-E404 PolarHBondContact O-N 3.07Å; L401-W405 VanDerWaalsContact CD1-CD1 3.48Å; L401-W405 WeakPolarHBondContact O-CB 3.48Å; L401-W405 VanDerWaalsContact O-CD1 3.3Å; L401-W405 PolarHBondContact O-N 3.03Å; L401-L429 HydrophobicContact CD1-CD2 4.41Å; L401-G431 VanDerWaalsContact CD2-C 3.45Å; L401-G431 VanDerWaalsContact CD2-O 3.26Å; L401-G431 WeakPolarHBondContact CD2-O 3.43Å; L401-P433 HydrophobicContact CD2-CB 4.26Å; L401-P433 HydrophobicContact CD2-CG 3.82Å; L401-P433 HydrophobicContact CG-CB 4.28Å; L401-P433 HydrophobicContact CG-CG 3.92Å
402N85.3Confident86.3Confident26 Ų2653.9 Ų53.914%0.13927%0.268CS..Hα-helixtrans-61-38.7176.4-68.2-15.4000112.1Q398 I399 W405 P433 D434 N435Q398-N402 VanDerWaalsContact O-CG 3.31Å; Q398-N402 PolarHBondContact O-N 2.97Å; I399-N402 PolarHBondContact O-N 3.23Å; N402-W405 CarbonylContact O-C 3.59Å; N402-P433 VanDerWaalsContact OD1-CA 3.32Å; N402-P433 WeakPolarHBondContact OD1-CA 3.48Å; N402-D434 PolarHBondContact ND2-OD2 2.76Å; N402-D434 PolarHBondContact OD1-N 3.32Å; N402-N435 PolarHBondContact O-ND2 3.28Å
403N85.2Confident86.4Confident42 Ų4259.6 Ų59.623%0.22529%0.293CS..Hα-helixtrans-68.7-34.8175.7-73.2-15.6000112.9V225 L226 I399 N400 L401V225-N403 WeakPolarHBondContact CG1-OD1 3.48Å; L226-N403 PolarHBondContact O-ND2 3.32Å; I399-N403 PolarHBondContact O-N 3.15Å; N400-N403 PolarHBondContact O-N 3.15Å; L401-N403 VanDerWaalsContact C-N 3.3Å; L401-N403 PolarHBondContact O-N 3.01Å
404E84.9Confident86.5Confident85 Ų8559.2 Ų59.240%0.39729%0.292SS..Hα-helixtrans-77.7-27.9178.6-76.1-178-177.100113.8N400 L401 K409N400-E404 WeakPolarHBondContact O-CG 3.47Å; N400-E404 PolarHBondContact O-N 3.06Å; L401-E404 PolarHBondContact O-N 3.07Å; E404-K409 WeakPolarHBondContact O-CD 3.14Å; E404-K409 PolarHBondContact O-NZ 3.34Å
405W85.6Confident86.7Confident41 Ų4159 Ų5916%0.15529%0.294CS..SBendtrans-110.773.3-177.6-68.894.8000110.6L401 N402 K409 L410 L429 P433 N435L401-W405 VanDerWaalsContact CD1-CD1 3.48Å; L401-W405 WeakPolarHBondContact O-CB 3.48Å; L401-W405 VanDerWaalsContact O-CD1 3.3Å; L401-W405 PolarHBondContact O-N 3.03Å; N402-W405 CarbonylContact O-C 3.59Å; W405-K409 HydrophobicContact CE3-CD 4.23Å; W405-K409 HydrophobicContact CE3-CG 4.46Å; W405-L410 HydrophobicContact CD2-CD2 4.43Å; W405-L410 HydrophobicContact CE3-CD2 3.6Å; W405-L410 HydrophobicContact CE3-CG 4.31Å; W405-L410 HydrophobicContact CZ3-CD2 4.23Å; W405-L429 HydrophobicContact CZ2-CD2 3.55Å; W405-P433 HydrophobicContact CB-CB 3.95Å; W405-P433 HydrophobicContact CB-CG 3.91Å; W405-P433 HydrophobicContact CG-CG 3.96Å; W405-N435 WeakPolarHBondContact O-CB 3.31Å; W405-N435 PolarHBondContact O-ND2 2.96Å
406T88.1Confident87Confident65 Ų6562.1 Ų62.140%0.39931%0.307SS..  trans-68.6157.4172.661.50000111.5E408 K409 L410T406-E408 VanDerWaalsContact C-N 3.26Å; T406-E408 PolarHBondContact O-N 3.05Å; T406-K409 PolarHBondContact O-N 3.36Å; T406-K409 VanDerWaalsContact O-N 3.13Å; T406-L410 PolarHBondContact O-N 3Å
407V86.9Confident86.9Confident37 Ų3763.6 Ų63.622%0.22432%0.315CS..Hα-helixtrans-55.2-41.1178.7-176.70000111.7K409 L410 K411 N435 E438 L439V407-K409 PolarHBondContact O-N 3.35Å; V407-L410 PolarHBondContact O-N 3.09Å; V407-K411 HydrophobicContact CG1-CD 4.36Å; V407-K411 HydrophobicContact CG1-CG 4.44Å; V407-K411 WeakPolarHBondContact O-CG 3.43Å; V407-K411 PolarHBondContact O-N 3.19Å; V407-N435 HydrophobicContact CG2-CB 4.22Å; V407-E438 HydrophobicContact CG2-CB 4.48Å; V407-E438 WeakPolarHBondContact CG2-OE2 3.32Å; V407-L439 HydrophobicContact CG1-CD2 3.86Å
408E87.4Confident86.7Confident164 Ų16465.7 Ų65.777%0.76635%0.346SS*.Hα-helixtrans-61.6-44.3178.3-64179.1176.500112.3T406 L410 K411 S412T406-E408 VanDerWaalsContact C-N 3.26Å; T406-E408 PolarHBondContact O-N 3.05Å; E408-L410 VanDerWaalsContact C-N 3.33Å; E408-L410 PolarHBondContact O-N 2.97Å; E408-K411 PolarHBondContact O-N 3.49Å; E408-S412 PolarHBondContact O-N 3.2Å
409K88.8Confident86.6Confident86 Ų8668.9 Ų68.937%0.37436%0.361SS..Hα-helixtrans-65.5-39.2177.8-173.4-179.6174.3-171.20111E404 W405 T406 V407 S412E404-K409 WeakPolarHBondContact O-CD 3.14Å; E404-K409 PolarHBondContact O-NZ 3.34Å; W405-K409 HydrophobicContact CE3-CD 4.23Å; W405-K409 HydrophobicContact CE3-CG 4.46Å; T406-K409 PolarHBondContact O-N 3.36Å; T406-K409 VanDerWaalsContact O-N 3.13Å; V407-K409 PolarHBondContact O-N 3.35Å; K409-S412 PolarHBondContact O-N 3.12Å; K409-S412 PolarHBondContact O-OG 3.09Å
410L88.9Confident86.7Confident0 Ų072.5 Ų72.50%038%0.381CS..Hα-helixtrans-68-40.3175.6-65.9166000111.9W405 T406 V407 E408 S412 K413 L414 L424 L426 N435 V436 L439W405-L410 HydrophobicContact CD2-CD2 4.43Å; W405-L410 HydrophobicContact CE3-CD2 3.6Å; W405-L410 HydrophobicContact CE3-CG 4.31Å; W405-L410 HydrophobicContact CZ3-CD2 4.23Å; T406-L410 PolarHBondContact O-N 3Å; V407-L410 PolarHBondContact O-N 3.09Å; E408-L410 VanDerWaalsContact C-N 3.33Å; E408-L410 PolarHBondContact O-N 2.97Å; L410-S412 VanDerWaalsContact C-N 3.27Å; L410-S412 PolarHBondContact O-N 2.94Å; L410-K413 WeakPolarHBondContact O-CA 3.5Å; L410-K413 WeakPolarHBondContact O-CB 3.06Å; L410-K413 PolarHBondContact O-N 3.32Å; L410-L414 PolarHBondContact O-N 3.39Å; L410-L424 HydrophobicContact CD2-CD2 4.47Å; L410-L426 HydrophobicContact CD2-CD2 4.17Å; L410-N435 HydrophobicContact CD1-CB 4Å; L410-V436 HydrophobicContact CD1-CG2 3.82Å; L410-V436 HydrophobicContact CD2-CG2 4.1Å; L410-L439 HydrophobicContact CB-CD1 3.72Å; L410-L439 HydrophobicContact CD1-CD1 4.38Å
411K87.8Confident86.8Confident112 Ų11273.3 Ų73.349%0.48738%0.383SS..Hα-helixtrans-58.3-38.7173.7-76.6-176.5177.7-172.80112.3V407 E408 K413 L414 L439V407-K411 HydrophobicContact CG1-CD 4.36Å; V407-K411 HydrophobicContact CG1-CG 4.44Å; V407-K411 WeakPolarHBondContact O-CG 3.43Å; V407-K411 PolarHBondContact O-N 3.19Å; E408-K411 PolarHBondContact O-N 3.49Å; K411-K413 PolarHBondContact O-N 3.01Å; K411-L414 HydrophobicContact CG-CD1 4.42Å; K411-L414 WeakPolarHBondContact O-CB 3.26Å; K411-L414 PolarHBondContact O-N 3Å; K411-L439 HydrophobicContact CD-CD2 4.45Å; K411-L439 HydrophobicContact CG-CD2 3.61Å
412S87.6Confident87Confident90 Ų9074.8 Ų74.863%0.62939%0.391SS*.THydrogen-bonded Turntrans-65.2-17.2175.578.90000114.4E408 K409 L410E408-S412 PolarHBondContact O-N 3.2Å; K409-S412 PolarHBondContact O-N 3.12Å; K409-S412 PolarHBondContact O-OG 3.09Å; L410-S412 VanDerWaalsContact C-N 3.27Å; L410-S412 PolarHBondContact O-N 2.94Å
413K87Confident87.3Confident119 Ų11975 Ų7552%0.51739%0.391SS..THydrogen-bonded Turntrans-990.4179.8-69.8-69.3-173.3179.40113.2L410 K411 V415 L424L410-K413 WeakPolarHBondContact O-CA 3.5Å; L410-K413 WeakPolarHBondContact O-CB 3.06Å; L410-K413 PolarHBondContact O-N 3.32Å; K411-K413 PolarHBondContact O-N 3.01Å; K413-V415 PolarHBondContact O-N 2.66Å; K413-L424 HydrophobicContact CB-CD1 4.12Å
414L89.3Confident87.6Confident39 Ų3973 Ų7320%0.20438%0.381CS..EExtended strand (participates in β ladder)trans-72.2124.9174.1-67.2171.6000109.7L410 K411 I422 E423 L424L410-L414 PolarHBondContact O-N 3.39Å; K411-L414 HydrophobicContact CG-CD1 4.42Å; K411-L414 WeakPolarHBondContact O-CB 3.26Å; K411-L414 PolarHBondContact O-N 3Å; L414-I422 HydrophobicContact CB-CG2 4.11Å; L414-I422 HydrophobicContact CD1-CG2 4.36Å; L414-I422 HydrophobicContact CD2-CG2 3.93Å; L414-I422 HydrophobicContact CG-CG2 4.36Å; L414-E423 WeakPolarHBondContact CA-O 3.49Å; L414-L424 HydrophobicContact CD2-CB 3.96Å; L414-L424 HydrophobicContact CD2-CD1 4.15Å
415V90.9Very high87.9Confident81 Ų8172.9 Ų72.949%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-119.6146.1180-179.80000109K413 E423K413-V415 PolarHBondContact O-N 2.66Å; V415-E423 HydrophobicContact CB-CG 4.19Å; V415-E423 PolarHBondContact N-O 3.21Å; V415-E423 WeakPolarHBondContact O-CG 3.26Å; V415-E423 PolarHBondContact O-N 3.05Å
416K89.3Confident88.1Confident132 Ų13271.1 Ų71.157%0.57437%0.373SS*.EExtended strand (participates in β ladder)trans-86.9120.9169.6-78.9177.9158.9-1350109.5D420K416-D420 WeakPolarHBondContact CD-OD1 3.25Å; K416-D420 WeakPolarHBondContact CE-OD1 3.45Å; K416-D420 IonicContact NZ-OD1 3.33Å; K416-D420 PolarHBondContact NZ-OD1 3.47Å; K416-D420 IonicContact NZ-OD2 2.65Å
417N85Confident88.2Confident34 Ų3472.6 Ų72.618%0.18237%0.374CS..  trans-66.9167174.5-95-37.4000112.4Q419 D420 K421 E423 R469N417-Q419 PolarHBondContact O-N 3.28Å; N417-D420 WeakPolarHBondContact O-CA 3.28Å; N417-D420 PolarHBondContact O-N 3.03Å; N417-K421 PolarHBondContact N-O 3.04Å; N417-E423 WeakPolarHBondContact ND2-CB 3.33Å; N417-E423 PolarHBondContact ND2-OE2 3.46Å; N417-E423 PolarHBondContact OD1-OE1 3.37Å; N417-E423 PolarHBondContact OD1-OE2 3.37Å; N417-R469 PolarHBondContact ND2-NH2 2.96Å
418A81.6Confident88.1Confident115 Ų11576.7 Ų76.795%0.9539%0.392SS*.THydrogen-bonded Turntrans-57.6-19171.300000114.1D420A418-D420 VanDerWaalsContact C-N 3.33Å
419Q82.6Confident88Confident120 Ų12069.5 Ų69.556%0.56136%0.359SS*.THydrogen-bonded Turntrans-91.912.6173.2-61.5-179.2-7.800113.1N417 K421N417-Q419 PolarHBondContact O-N 3.28Å; Q419-K421 HydrophobicContact CB-CD 4.47Å; Q419-K421 HydrophobicContact CB-CG 4.22Å; Q419-K421 PolarHBondContact O-N 3.12Å; Q419-K421 VanDerWaalsContact O-N 3.13Å
420D86.3Confident87.6Confident106 Ų10671.2 Ų71.257%0.56737%0.373SS*.SBendtrans56.121.1-174.4-157.124000114.9K416 N417 A418K416-D420 WeakPolarHBondContact CD-OD1 3.25Å; K416-D420 WeakPolarHBondContact CE-OD1 3.45Å; K416-D420 IonicContact NZ-OD1 3.33Å; K416-D420 PolarHBondContact NZ-OD1 3.47Å; K416-D420 IonicContact NZ-OD2 2.65Å; N417-D420 WeakPolarHBondContact O-CA 3.28Å; N417-D420 PolarHBondContact O-N 3.03Å; A418-D420 VanDerWaalsContact C-N 3.33Å
421K87.4Confident87.3Confident32 Ų3271.6 Ų71.614%0.13938%0.377CS..  trans-86.3140.7173.5-59.1180-179.61550110.6N417 Q419 E423 E443 V444 E467N417-K421 PolarHBondContact N-O 3.04Å; Q419-K421 HydrophobicContact CB-CD 4.47Å; Q419-K421 HydrophobicContact CB-CG 4.22Å; Q419-K421 PolarHBondContact O-N 3.12Å; Q419-K421 VanDerWaalsContact O-N 3.13Å; K421-E423 PolarHBondContact O-N 3.21Å; K421-E443 HydrophobicContact CB-CB 4.37Å; K421-E443 WeakPolarHBondContact CG-OE2 3.47Å; K421-V444 HydrophobicContact CB-CG2 3.79Å; K421-V444 HydrophobicContact CD-CG2 3.79Å; K421-V444 HydrophobicContact CG-CG2 4.48Å; K421-E467 IonicContact NZ-OE2 3.51Å; K421-E467 PolarHBondContact NZ-OE2 2.95Å
422I90.6Very high87.2Confident45 Ų4566.7 Ų66.723%0.23136%0.355CS..EExtended strand (participates in β ladder)trans-77.2117.4175-58.9171.6000109L414 E441 E443 V444L414-I422 HydrophobicContact CB-CG2 4.11Å; L414-I422 HydrophobicContact CD1-CG2 4.36Å; L414-I422 HydrophobicContact CD2-CG2 3.93Å; L414-I422 HydrophobicContact CG-CG2 4.36Å; I422-E441 HydrophobicContact CD1-CB 4.41Å; I422-E443 PolarHBondContact O-N 2.87Å; I422-V444 PolarHBondContact O-N 3.4Å
423E92Very high87.1Confident31 Ų3162.4 Ų62.415%0.14533%0.325CS..EExtended strand (participates in β ladder)trans-113.2146.1178.368.5166.2-171.400113.6L414 V415 N417 K421 V444 R469L414-E423 WeakPolarHBondContact CA-O 3.49Å; V415-E423 HydrophobicContact CB-CG 4.19Å; V415-E423 PolarHBondContact N-O 3.21Å; V415-E423 WeakPolarHBondContact O-CG 3.26Å; V415-E423 PolarHBondContact O-N 3.05Å; N417-E423 WeakPolarHBondContact ND2-CB 3.33Å; N417-E423 PolarHBondContact ND2-OE2 3.46Å; N417-E423 PolarHBondContact OD1-OE1 3.37Å; N417-E423 PolarHBondContact OD1-OE2 3.37Å; K421-E423 PolarHBondContact O-N 3.21Å; E423-V444 WeakPolarHBondContact CA-O 3.26Å; E423-V444 HydrophobicContact CB-CB 3.75Å; E423-V444 HydrophobicContact CB-CG1 4.12Å; E423-V444 HydrophobicContact CB-CG2 4.45Å; E423-R469 IonicContact OE2-CZ 2.78Å; E423-R469 IonicContact OE2-NH1 3.19Å; E423-R469 PolarHBondContact OE2-NH1 3.33Å
424L92.3Very high87Confident0 Ų059.8 Ų59.80%032%0.317CS..EExtended strand (participates in β ladder)trans-116.9122.3165.1-17567000109.2L410 K413 L414 L426 V436 L439 M442 V444 L445 S446L410-L424 HydrophobicContact CD2-CD2 4.47Å; K413-L424 HydrophobicContact CB-CD1 4.12Å; L414-L424 HydrophobicContact CD2-CB 3.96Å; L414-L424 HydrophobicContact CD2-CD1 4.15Å; L424-L426 HydrophobicContact CD1-CD2 4.3Å; L424-L426 HydrophobicContact CD2-CD1 4.4Å; L424-L426 HydrophobicContact CD2-CD2 4.15Å; L424-L426 HydrophobicContact CD2-CG 4.29Å; L424-L426 HydrophobicContact CG-CD2 4.04Å; L424-L426 HydrophobicContact CG-CG 4.22Å; L424-V436 HydrophobicContact CD2-CG1 3.68Å; L424-V436 HydrophobicContact CD2-CG2 4.27Å; L424-L439 HydrophobicContact CD2-CD1 4.1Å; L424-M442 HydrophobicContact CB-CG 4.3Å; L424-M442 HydrophobicContact CB-SD 3.37Å; L424-M442 WeakPolarHBondContact CB-SD 3.4Å; L424-M442 HydrophobicContact CD2-SD 4Å; L424-M442 HydrophobicContact CG-SD 4.34Å; L424-V444 PolarHBondContact N-O 3.45Å; L424-L445 HydrophobicContact CB-CD1 4.49Å; L424-L445 HydrophobicContact CD2-CD1 4.3Å; L424-S446 PolarHBondContact O-N 3.16Å; L424-S446 PolarHBondContact O-OG 2.74Å
425H91.1Very high86.8Confident81 Ų8159.5 Ų59.538%0.37532%0.316SS..EExtended strand (participates in β ladder)trans-108.7113.9176.4-169.3-88.8000111.3S446 E448H425-S446 WeakPolarHBondContact CA-OG 3.16Å; H425-S446 WeakPolarHBondContact CB-OG 3.4Å; H425-S446 PolarHBondContact CD2-OG 2.83Å; H425-E448 IonicContact CE1-OE2 3.39Å; H425-E448 PolarHBondContact CE1-OE2 3.06Å; H425-E448 IonicContact NE2-OE2 2.7Å; H425-E448 PolarHBondContact NE2-OE2 3.12Å
426L90.2Very high86.6Confident5 Ų555.6 Ų55.63%0.02629%0.292CS..EExtended strand (participates in β ladder)trans-107.4122.7177.6-58.4-179000109.7L410 L424 L429 L432 V436 L445 S446 L447 E448 I450L410-L426 HydrophobicContact CD2-CD2 4.17Å; L424-L426 HydrophobicContact CD1-CD2 4.3Å; L424-L426 HydrophobicContact CD2-CD1 4.4Å; L424-L426 HydrophobicContact CD2-CD2 4.15Å; L424-L426 HydrophobicContact CD2-CG 4.29Å; L424-L426 HydrophobicContact CG-CD2 4.04Å; L424-L426 HydrophobicContact CG-CG 4.22Å; L426-L429 HydrophobicContact CB-CD1 4Å; L426-L429 HydrophobicContact CD1-CD1 4.24Å; L426-L429 HydrophobicContact CD2-CD1 4.2Å; L426-L429 HydrophobicContact CG-CD1 4.37Å; L426-L432 HydrophobicContact CD1-CD1 3.69Å; L426-V436 HydrophobicContact CD1-CG2 3.92Å; L426-L445 HydrophobicContact CD1-CD1 4.48Å; L426-S446 PolarHBondContact N-O 3.26Å; L426-L447 HydrophobicContact CB-CD2 4.24Å; L426-L447 HydrophobicContact CD1-CD2 3.92Å; L426-L447 HydrophobicContact CG-CD2 4.46Å; L426-E448 PolarHBondContact O-N 3.3Å; L426-I450 HydrophobicContact CB-CD1 4.09Å
427F89.3Confident86.5Confident96 Ų9649.4 Ų49.442%0.42127%0.265SS..EExtended strand (participates in β ladder)trans-127.2131-173.3-179.1-106.4000111.3L429 E448 L449F427-L429 PolarHBondContact O-N 3.4Å; F427-E448 WeakPolarHBondContact CA-O 3.43Å; F427-E448 HydrophobicContact CD2-CB 3.91Å; F427-E448 HydrophobicContact CD2-CG 3.65Å; F427-E448 VanDerWaalsContact CD2-OE2 3.27Å; F427-E448 WeakPolarHBondContact CD2-OE2 3.37Å; F427-E448 HydrophobicContact CE2-CG 3.88Å; F427-L449 HydrophobicContact CE2-CD1 3.74Å; F427-L449 HydrophobicContact CZ-CD1 4.07Å
428M85.4Confident86.5Confident122 Ų12253 Ų5360%0.60128%0.281SS*.SBendtrans50.648.9175.3-66-159.5-44.400114.6E448 L449M428-E448 PolarHBondContact N-O 3.08Å; M428-L449 HydrophobicContact CG-CB 4.04Å; M428-L449 HydrophobicContact CG-CD1 4.01Å; M428-L449 HydrophobicContact SD-CD1 4.45Å
429L84.6Confident86.7Confident14 Ų1447.8 Ų47.87%0.07324%0.237CC..  trans-92.3151.6170.6-58-176.8000110.5L401 W405 L426 F427 G431 P433 I450 P451L401-L429 HydrophobicContact CD1-CD2 4.41Å; W405-L429 HydrophobicContact CZ2-CD2 3.55Å; L426-L429 HydrophobicContact CB-CD1 4Å; L426-L429 HydrophobicContact CD1-CD1 4.24Å; L426-L429 HydrophobicContact CD2-CD1 4.2Å; L426-L429 HydrophobicContact CG-CD1 4.37Å; F427-L429 PolarHBondContact O-N 3.4Å; L429-G431 WeakPolarHBondContact CB-O 3.23Å; L429-G431 PolarHBondContact O-N 2.62Å; L429-P433 HydrophobicContact CD1-CG 4.06Å; L429-I450 HydrophobicContact CB-CD1 4.28Å; L429-I450 HydrophobicContact CB-CG1 4.31Å; L429-P451 WeakPolarHBondContact O-CD 3.2Å
430N79.5Confident86.9Confident122 Ų12245.6 Ų45.665%0.65223%0.232SC*.SBendtrans-74.5-8.1175.1-64-33.8000113.2
431G83.5Confident86.9Confident8 Ų845.9 Ų45.98%0.08223%0.23CC..SBendtrans-176.6-177.9-176.600000110.1L401 L429L401-G431 VanDerWaalsContact CD2-C 3.45Å; L401-G431 VanDerWaalsContact CD2-O 3.26Å; L401-G431 WeakPolarHBondContact CD2-O 3.43Å; L429-G431 WeakPolarHBondContact CB-O 3.23Å; L429-G431 PolarHBondContact O-N 2.62Å
432L84.8Confident86.9Confident8 Ų844.4 Ų44.44%0.04222%0.224CC..  trans-99.5119.5177.4-177.763.8000109.4Q398 L426 F437 L447 V453 L455Q398-L432 PolarHBondContact NE2-O 3.46Å; L426-L432 HydrophobicContact CD1-CD1 3.69Å; L432-F437 HydrophobicContact CD2-CE1 4.04Å; L432-F437 HydrophobicContact CD2-CE2 4.4Å; L432-F437 HydrophobicContact CD2-CZ 3.45Å; L432-F437 VanDerWaalsContact CD2-CZ 3.45Å; L432-F437 HydrophobicContact CG-CZ 4.07Å; L432-L447 HydrophobicContact CD1-CD2 3.77Å; L432-V453 HydrophobicContact CB-CG1 4.1Å; L432-V453 HydrophobicContact CD2-CG1 3.84Å; L432-L455 HydrophobicContact CD2-CD2 3.84Å
433P87Confident86.9Confident0 Ų044.2 Ų44.20%022%0.222CC..  trans-67.7137178.6-9.621.1000111.6L401 N402 W405 L429 N435 V436L401-P433 HydrophobicContact CD2-CB 4.26Å; L401-P433 HydrophobicContact CD2-CG 3.82Å; L401-P433 HydrophobicContact CG-CB 4.28Å; L401-P433 HydrophobicContact CG-CG 3.92Å; N402-P433 VanDerWaalsContact OD1-CA 3.32Å; N402-P433 WeakPolarHBondContact OD1-CA 3.48Å; W405-P433 HydrophobicContact CB-CB 3.95Å; W405-P433 HydrophobicContact CB-CG 3.91Å; W405-P433 HydrophobicContact CG-CG 3.96Å; L429-P433 HydrophobicContact CD1-CG 4.06Å; P433-N435 VanDerWaalsContact C-N 3.28Å; P433-N435 PolarHBondContact O-N 3.28Å; P433-V436 HydrophobicContact CB-CG2 4.13Å; P433-V436 HydrophobicContact CG-CG2 4.12Å; P433-V436 WeakPolarHBondContact O-CB 3.31Å; P433-V436 VanDerWaalsContact O-CG2 3.3Å; P433-V436 WeakPolarHBondContact O-CG2 3.06Å; P433-V436 PolarHBondContact O-N 2.83Å
434D84.1Confident86.9Confident65 Ų6542.7 Ų42.735%0.34822%0.215SC..G310 helixtrans-68.4-29.7-178.3-61.3-42.9000112.1Q398 N402 V436 F437Q398-D434 PolarHBondContact NE2-OD1 3.09Å; N402-D434 PolarHBondContact ND2-OD2 2.76Å; N402-D434 PolarHBondContact OD1-N 3.32Å; D434-V436 PolarHBondContact O-N 2.94Å; D434-F437 WeakPolarHBondContact O-CD2 3.4Å; D434-F437 PolarHBondContact O-N 3.13Å
435N85.6Confident86.9Confident32 Ų3242.8 Ų42.817%0.17122%0.215CC..G310 helixtrans-62.5-14.4177.4-59.9-8.6000113.2N402 W405 V407 L410 P433 F437 E438N402-N435 PolarHBondContact O-ND2 3.28Å; W405-N435 WeakPolarHBondContact O-CB 3.31Å; W405-N435 PolarHBondContact O-ND2 2.96Å; V407-N435 HydrophobicContact CG2-CB 4.22Å; L410-N435 HydrophobicContact CD1-CB 4Å; P433-N435 VanDerWaalsContact C-N 3.28Å; P433-N435 PolarHBondContact O-N 3.28Å; N435-F437 VanDerWaalsContact C-N 3.25Å; N435-F437 PolarHBondContact O-N 3.47Å; N435-E438 PolarHBondContact O-N 2.95Å
436V87.2Confident86.9Confident0 Ų039 Ų390%020%0.197CC..G310 helixtrans-64.3-33.5174174.50000111L410 L424 L426 P433 D434 E438 L439 M442 L445L410-V436 HydrophobicContact CD1-CG2 3.82Å; L410-V436 HydrophobicContact CD2-CG2 4.1Å; L424-V436 HydrophobicContact CD2-CG1 3.68Å; L424-V436 HydrophobicContact CD2-CG2 4.27Å; L426-V436 HydrophobicContact CD1-CG2 3.92Å; P433-V436 HydrophobicContact CB-CG2 4.13Å; P433-V436 HydrophobicContact CG-CG2 4.12Å; P433-V436 WeakPolarHBondContact O-CB 3.31Å; P433-V436 VanDerWaalsContact O-CG2 3.3Å; P433-V436 WeakPolarHBondContact O-CG2 3.06Å; P433-V436 PolarHBondContact O-N 2.83Å; D434-V436 PolarHBondContact O-N 2.94Å; V436-E438 PolarHBondContact O-N 3.35Å; V436-L439 WeakPolarHBondContact O-CB 3.47Å; V436-L439 PolarHBondContact O-N 3.49Å; V436-M442 HydrophobicContact CG1-CE 4.44Å; V436-L445 HydrophobicContact CG1-CD1 4.22Å
437F86.1Confident87Confident1 Ų138.7 Ų38.70%0.00420%0.196CC..THydrogen-bonded Turntrans-73.7-16.8-176.9-53.4-60000113.3L432 D434 N435 L439 L455 P456 A458 V459 Q461 L462L432-F437 HydrophobicContact CD2-CE1 4.04Å; L432-F437 HydrophobicContact CD2-CE2 4.4Å; L432-F437 HydrophobicContact CD2-CZ 3.45Å; L432-F437 VanDerWaalsContact CD2-CZ 3.45Å; L432-F437 HydrophobicContact CG-CZ 4.07Å; D434-F437 WeakPolarHBondContact O-CD2 3.4Å; D434-F437 PolarHBondContact O-N 3.13Å; N435-F437 VanDerWaalsContact C-N 3.25Å; N435-F437 PolarHBondContact O-N 3.47Å; F437-L439 PolarHBondContact O-N 3.39Å; F437-L455 HydrophobicContact CE1-CD2 4.02Å; F437-L455 HydrophobicContact CZ-CD2 4.25Å; F437-P456 HydrophobicContact CD2-CG 4.22Å; F437-P456 HydrophobicContact CE2-CG 3.51Å; F437-P456 HydrophobicContact CZ-CG 3.83Å; F437-A458 HydrophobicContact CB-CB 3.97Å; F437-A458 HydrophobicContact CD2-CB 3.77Å; F437-A458 HydrophobicContact CG-CB 3.94Å; F437-V459 HydrophobicContact CD1-CB 4.47Å; F437-V459 HydrophobicContact CD1-CG2 3.85Å; F437-V459 HydrophobicContact CE1-CB 4.5Å; F437-V459 HydrophobicContact CE1-CG2 3.45Å; F437-V459 VanDerWaalsContact CE1-CG2 3.45Å; F437-V459 HydrophobicContact CZ-CG2 4.13Å; F437-Q461 WeakPolarHBondContact O-CB 3.32Å; F437-Q461 PolarHBondContact O-OE1 3.11Å; F437-L462 HydrophobicContact CD1-CD1 3.91Å; F437-L462 WeakPolarHBondContact O-CD2 3.27Å
438E86Confident87.1Confident109 Ų10936.3 Ų36.351%0.50919%0.186SC..THydrogen-bonded Turntrans-74.8-10.2174.7-59.7-174.6-177.400113V407 N435 V436 T440V407-E438 HydrophobicContact CG2-CB 4.48Å; V407-E438 WeakPolarHBondContact CG2-OE2 3.32Å; N435-E438 PolarHBondContact O-N 2.95Å; V436-E438 PolarHBondContact O-N 3.35Å; E438-T440 PolarHBondContact O-N 3.43Å; E438-T440 VanDerWaalsContact O-N 3.16Å
439L85.6Confident87.2Confident6 Ų634 Ų343%0.03118%0.176CC..  trans-86.180.7-177.9-61.5175.4000112.5V407 L410 K411 L424 V436 F437 E441 M442 L462V407-L439 HydrophobicContact CG1-CD2 3.86Å; L410-L439 HydrophobicContact CB-CD1 3.72Å; L410-L439 HydrophobicContact CD1-CD1 4.38Å; K411-L439 HydrophobicContact CD-CD2 4.45Å; K411-L439 HydrophobicContact CG-CD2 3.61Å; L424-L439 HydrophobicContact CD2-CD1 4.1Å; V436-L439 WeakPolarHBondContact O-CB 3.47Å; V436-L439 PolarHBondContact O-N 3.49Å; F437-L439 PolarHBondContact O-N 3.39Å; L439-E441 PolarHBondContact O-N 3.48Å; L439-M442 PolarHBondContact O-N 3.49Å; L439-L462 WeakPolarHBondContact O-CD2 3.33Å
440T85.8Confident87.2Confident74 Ų7433.3 Ų33.345%0.45417%0.172SC..THydrogen-bonded Turntrans-65.3-18.3-177.358.20000115.2E438 M442 N464E438-T440 PolarHBondContact O-N 3.43Å; E438-T440 VanDerWaalsContact O-N 3.16Å; T440-M442 VanDerWaalsContact C-N 3.34Å; T440-N464 PolarHBondContact O-ND2 3.39Å
441E86.6Confident87.2Confident113 Ų11331.2 Ų31.253%0.52817%0.165SC..THydrogen-bonded Turntrans-80.8-11.7-177.9-63.5176.5-170.600113.7I422 L439I422-E441 HydrophobicContact CD1-CB 4.41Å; L439-E441 PolarHBondContact O-N 3.48Å
442M87.4Confident86.7Confident0 Ų037.8 Ų37.80%019%0.194CC..  trans-76130.5-174-178.2-178.759.200112.3L424 V436 L439 T440 V444 L445 L462 N464 L465L424-M442 HydrophobicContact CB-CG 4.3Å; L424-M442 HydrophobicContact CB-SD 3.37Å; L424-M442 WeakPolarHBondContact CB-SD 3.4Å; L424-M442 HydrophobicContact CD2-SD 4Å; L424-M442 HydrophobicContact CG-SD 4.34Å; V436-M442 HydrophobicContact CG1-CE 4.44Å; L439-M442 PolarHBondContact O-N 3.49Å; T440-M442 VanDerWaalsContact C-N 3.34Å; M442-V444 WeakPolarHBondContact CG-O 3.32Å; M442-L445 HydrophobicContact CE-CB 3.9Å; M442-L445 HydrophobicContact CE-CD1 4.04Å; M442-L445 HydrophobicContact CE-CD2 4.43Å; M442-L445 HydrophobicContact CE-CG 4.34Å; M442-L445 HydrophobicContact SD-CB 3.97Å; M442-L445 HydrophobicContact SD-CD1 3.86Å; M442-L445 HydrophobicContact SD-CG 4.49Å; M442-L462 HydrophobicContact CE-CD1 3.61Å; M442-L462 HydrophobicContact CE-CD2 3.93Å; M442-L462 HydrophobicContact CE-CG 4.38Å; M442-N464 CarbonylContact O-C 3.1Å; M442-L465 HydrophobicContact CE-CD1 4.26Å
443E90.1Very high86.5Confident41 Ų4137.5 Ų37.519%0.19219%0.192CC..SBendtrans-102.8-28174.4-59.9-157.3146.200113.3K421 I422 N464 K466 E467K421-E443 HydrophobicContact CB-CB 4.37Å; K421-E443 WeakPolarHBondContact CG-OE2 3.47Å; I422-E443 PolarHBondContact O-N 2.87Å; E443-N464 WeakPolarHBondContact CA-O 3.44Å; E443-N464 HydrophobicContact CG-CB 4.43Å; E443-K466 PolarHBondContact O-N 3.09Å; E443-K466 IonicContact OE1-NZ 3.89Å; E443-K466 PolarHBondContact OE1-NZ 3.33Å; E443-K466 IonicContact OE2-NZ 3.37Å; E443-E467 PolarHBondContact O-N 3.04Å; E443-E467 VanDerWaalsContact O-N 3.07Å
444V92.8Very high86.4Confident0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-125.9120.4-176.4-174.80000109.7K421 I422 E423 L424 M442 E467 R469K421-V444 HydrophobicContact CB-CG2 3.79Å; K421-V444 HydrophobicContact CD-CG2 3.79Å; K421-V444 HydrophobicContact CG-CG2 4.48Å; I422-V444 PolarHBondContact O-N 3.4Å; E423-V444 WeakPolarHBondContact CA-O 3.26Å; E423-V444 HydrophobicContact CB-CB 3.75Å; E423-V444 HydrophobicContact CB-CG1 4.12Å; E423-V444 HydrophobicContact CB-CG2 4.45Å; L424-V444 PolarHBondContact N-O 3.45Å; M442-V444 WeakPolarHBondContact CG-O 3.32Å; V444-E467 WeakPolarHBondContact CA-O 2.92Å; V444-E467 HydrophobicContact CB-CB 4.37Å; V444-E467 HydrophobicContact CG1-CB 4.13Å; V444-E467 HydrophobicContact CG1-CG 4.03Å; V444-E467 HydrophobicContact CG2-CB 4.05Å; V444-R469 HydrophobicContact CG1-CG 4.36Å
445L92.4Very high86.4Confident2 Ų241.1 Ų41.11%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-106.5124.5171.2179.660.8000109.6L424 L426 V436 M442 L447 L465 E467 L468 R469L424-L445 HydrophobicContact CB-CD1 4.49Å; L424-L445 HydrophobicContact CD2-CD1 4.3Å; L426-L445 HydrophobicContact CD1-CD1 4.48Å; V436-L445 HydrophobicContact CG1-CD1 4.22Å; M442-L445 HydrophobicContact CE-CB 3.9Å; M442-L445 HydrophobicContact CE-CD1 4.04Å; M442-L445 HydrophobicContact CE-CD2 4.43Å; M442-L445 HydrophobicContact CE-CG 4.34Å; M442-L445 HydrophobicContact SD-CB 3.97Å; M442-L445 HydrophobicContact SD-CD1 3.86Å; M442-L445 HydrophobicContact SD-CG 4.49Å; L445-L447 HydrophobicContact CD1-CD2 3.92Å; L445-L447 HydrophobicContact CD2-CD2 4.31Å; L445-L447 HydrophobicContact CD2-CG 4.48Å; L445-L447 HydrophobicContact CG-CD2 4.03Å; L445-L447 HydrophobicContact CG-CG 4.2Å; L445-L465 HydrophobicContact CB-CD1 3.81Å; L445-E467 PolarHBondContact N-O 3.26Å; L445-L468 HydrophobicContact CB-CD1 4.06Å; L445-L468 HydrophobicContact CD2-CD1 4.01Å; L445-L468 HydrophobicContact CG-CD1 4.13Å; L445-R469 PolarHBondContact O-N 3.17Å
446S91.8Very high86.3Confident0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-121123.8176.446.60000111.8L424 H425 L426 R469L424-S446 PolarHBondContact O-N 3.16Å; L424-S446 PolarHBondContact O-OG 2.74Å; H425-S446 WeakPolarHBondContact CA-OG 3.16Å; H425-S446 WeakPolarHBondContact CB-OG 3.4Å; H425-S446 PolarHBondContact CD2-OG 2.83Å; L426-S446 PolarHBondContact N-O 3.26Å; S446-R469 WeakPolarHBondContact CA-O 3.24Å
447L91.8Very high86.1Confident0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-118.9118.5-175.9-55.6179.7000108.8L426 L432 L445 I450 V453 R469 Y471L426-L447 HydrophobicContact CB-CD2 4.24Å; L426-L447 HydrophobicContact CD1-CD2 3.92Å; L426-L447 HydrophobicContact CG-CD2 4.46Å; L432-L447 HydrophobicContact CD1-CD2 3.77Å; L445-L447 HydrophobicContact CD1-CD2 3.92Å; L445-L447 HydrophobicContact CD2-CD2 4.31Å; L445-L447 HydrophobicContact CD2-CG 4.48Å; L445-L447 HydrophobicContact CG-CD2 4.03Å; L445-L447 HydrophobicContact CG-CG 4.2Å; L447-I450 HydrophobicContact CB-CD1 4.17Å; L447-I450 HydrophobicContact CD2-CD1 4.01Å; L447-V453 HydrophobicContact CD1-CG1 4.1Å; L447-R469 PolarHBondContact N-O 3.42Å; L447-Y471 PolarHBondContact O-N 2.69Å
448E91.9Very high86Confident46 Ų4645.7 Ų45.722%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-129.1127.7-178-176173.2-160.900112.4H425 L426 F427 M428 I450 Y471H425-E448 IonicContact CE1-OE2 3.39Å; H425-E448 PolarHBondContact CE1-OE2 3.06Å; H425-E448 IonicContact NE2-OE2 2.7Å; H425-E448 PolarHBondContact NE2-OE2 3.12Å; L426-E448 PolarHBondContact O-N 3.3Å; F427-E448 WeakPolarHBondContact CA-O 3.43Å; F427-E448 HydrophobicContact CD2-CB 3.91Å; F427-E448 HydrophobicContact CD2-CG 3.65Å; F427-E448 VanDerWaalsContact CD2-OE2 3.27Å; F427-E448 WeakPolarHBondContact CD2-OE2 3.37Å; F427-E448 HydrophobicContact CE2-CG 3.88Å; M428-E448 PolarHBondContact N-O 3.08Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 3.29Å; E448-Y471 WeakPolarHBondContact CA-O 3.49Å; E448-Y471 HydrophobicContact CB-CD2 4.39Å
449L87.5Confident85.9Confident72 Ų7240.6 Ų40.638%0.37722%0.217SC..SBendtrans54.543.9178.3-63.5169.2000113.6F427 M428 Y471 H472 S473F427-L449 HydrophobicContact CE2-CD1 3.74Å; F427-L449 HydrophobicContact CZ-CD1 4.07Å; M428-L449 HydrophobicContact CG-CB 4.04Å; M428-L449 HydrophobicContact CG-CD1 4.01Å; M428-L449 HydrophobicContact SD-CD1 4.45Å; L449-Y471 PolarHBondContact N-O 3.47Å; L449-H472 HydrophobicContact CD2-CB 3.63Å; L449-H472 HydrophobicContact CG-CB 4.36Å; L449-S473 PolarHBondContact N-OG 3.46Å
450I84.2Confident85.8Confident1 Ų143.4 Ų43.41%0.00524%0.237CC..  trans-106.1119.3176.8-51.4179.8000108.9L426 L429 L447 E448 V453 S473L426-I450 HydrophobicContact CB-CD1 4.09Å; L429-I450 HydrophobicContact CB-CD1 4.28Å; L429-I450 HydrophobicContact CB-CG1 4.31Å; L447-I450 HydrophobicContact CB-CD1 4.17Å; L447-I450 HydrophobicContact CD2-CD1 4.01Å; E448-I450 VanDerWaalsContact C-N 3.35Å; E448-I450 PolarHBondContact O-N 3.29Å; I450-V453 HydrophobicContact CB-CG2 3.61Å; I450-V453 HydrophobicContact CG2-CG2 3.41Å; I450-V453 VanDerWaalsContact CG2-CG2 3.41Å; I450-S473 PolarHBondContact N-OG 2.87Å; I450-S473 VanDerWaalsContact O-CB 3.26Å; I450-S473 WeakPolarHBondContact O-CB 3.11Å; I450-S473 PolarHBondContact O-OG 3.44Å
451P79.1Confident85.9Confident77 Ų7744.6 Ų44.650%0.524%0.238SC..THydrogen-bonded Turntrans-75136.1179.330.4-31.1000111.1L429 V453L429-P451 WeakPolarHBondContact O-CD 3.2Å; P451-V453 PolarHBondContact O-N 2.69Å
452E73.5Confident85.8Confident146 Ų14639.2 Ų39.268%0.68221%0.212SC*.THydrogen-bonded Turntrans50.953.7170.7-59.3-171.9174.600115.3K454 S474E452-K454 PolarHBondContact O-N 2.9Å; E452-S474 WeakPolarHBondContact CA-OG 3.29Å; E452-S474 PolarHBondContact N-OG 3.18Å
453V80.8Confident85.7Confident2 Ų243.8 Ų43.81%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-68.6123.8177-176.70000110.2L432 L447 I450 P451 S474 L475 V476L432-V453 HydrophobicContact CB-CG1 4.1Å; L432-V453 HydrophobicContact CD2-CG1 3.84Å; L447-V453 HydrophobicContact CD1-CG1 4.1Å; I450-V453 HydrophobicContact CB-CG2 3.61Å; I450-V453 HydrophobicContact CG2-CG2 3.41Å; I450-V453 VanDerWaalsContact CG2-CG2 3.41Å; P451-V453 PolarHBondContact O-N 2.69Å; V453-S474 PolarHBondContact N-O 3.14Å; V453-L475 HydrophobicContact CB-CD1 3.69Å; V453-L475 HydrophobicContact CG1-CD1 3.41Å; V453-L475 VanDerWaalsContact CG1-CD1 3.41Å; V453-L475 WeakPolarHBondContact O-CA 3.46Å; V453-V476 PolarHBondContact O-N 3.3Å
454K83.3Confident85.5Confident139 Ų13945.3 Ų45.360%0.60425%0.25SC*.EExtended strand (participates in β ladder)trans-104.9129.1167.1-63.8-177.3-177.3178.20109.2E452 P456 V476E452-K454 PolarHBondContact O-N 2.9Å; K454-P456 VanDerWaalsContact O-CD 3.26Å; K454-P456 WeakPolarHBondContact O-CD 3.49Å; K454-V476 CarbonylContact C-O 3.39Å; K454-V476 VanDerWaalsContact CA-O 3.31Å; K454-V476 WeakPolarHBondContact CA-O 3.46Å; K454-V476 HydrophobicContact CG-CB 4.4Å
455L84Confident85.4Confident3 Ų345.5 Ų45.52%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-94.4105.4171.3-79.9170.4000109.4L432 F437 V459 L475 V476 V477 D478 L485L432-L455 HydrophobicContact CD2-CD2 3.84Å; F437-L455 HydrophobicContact CE1-CD2 4.02Å; F437-L455 HydrophobicContact CZ-CD2 4.25Å; L455-V459 HydrophobicContact CB-CG2 4.06Å; L455-V459 HydrophobicContact CD2-CG2 3.56Å; L455-V459 HydrophobicContact CG-CG2 4.32Å; L455-L475 HydrophobicContact CD1-CD1 3.68Å; L455-L475 HydrophobicContact CD1-CD2 3.75Å; L455-L475 HydrophobicContact CD1-CG 4.06Å; L455-L475 HydrophobicContact CG-CD1 3.73Å; L455-V476 PolarHBondContact N-O 3.05Å; L455-V477 HydrophobicContact CB-CG1 4.38Å; L455-V477 HydrophobicContact CB-CG2 4.47Å; L455-V477 HydrophobicContact CD1-CG2 4.11Å; L455-D478 PolarHBondContact O-N 3.3Å; L455-L485 HydrophobicContact CD1-CD1 4.32Å
456P85.2Confident85.3Confident30 Ų3048.7 Ų48.720%0.19526%0.264CS..  trans-76.2173.2179.433.1-36.1000111.6F437 K454 A458 V459 A481F437-P456 HydrophobicContact CD2-CG 4.22Å; F437-P456 HydrophobicContact CE2-CG 3.51Å; F437-P456 HydrophobicContact CZ-CG 3.83Å; K454-P456 VanDerWaalsContact O-CD 3.26Å; K454-P456 WeakPolarHBondContact O-CD 3.49Å; P456-A458 HydrophobicContact CG-CB 4.17Å; P456-A458 PolarHBondContact O-N 2.94Å; P456-V459 VanDerWaalsContact O-CG2 3.23Å; P456-V459 WeakPolarHBondContact O-CG2 3.21Å; P456-V459 PolarHBondContact O-N 2.79Å; P456-A481 WeakPolarHBondContact O-CB 3.4Å
457S82Confident85.4Confident69 Ų6948.7 Ų48.748%0.48326%0.264SS..G310 helixtrans-58.1-19.1173.856.40000114.4V459 S460S457-V459 PolarHBondContact O-N 3.19Å; S457-V459 VanDerWaalsContact O-N 3.15Å; S457-S460 WeakPolarHBondContact O-CB 3.19Å; S457-S460 PolarHBondContact O-N 3.3Å; S457-S460 VanDerWaalsContact O-N 3.15Å; S457-S460 PolarHBondContact O-OG 3.49Å
458A84.2Confident85.4Confident29 Ų2948.7 Ų48.724%0.2427%0.265CS..G310 helixtrans-60.7-19.917700000113.7F437 P456 S460 Q461F437-A458 HydrophobicContact CB-CB 3.97Å; F437-A458 HydrophobicContact CD2-CB 3.77Å; F437-A458 HydrophobicContact CG-CB 3.94Å; P456-A458 HydrophobicContact CG-CB 4.17Å; P456-A458 PolarHBondContact O-N 2.94Å; A458-S460 PolarHBondContact O-N 2.79Å; A458-Q461 WeakPolarHBondContact O-CB 3.43Å; A458-Q461 WeakPolarHBondContact O-CG 3.25Å; A458-Q461 PolarHBondContact O-N 2.91Å
459V84.9Confident85.5Confident2 Ų248.2 Ų48.21%0.01226%0.261CS..G310 helixtrans-56-26174-179.60000112.2F437 L455 P456 S457 Q461 L462 L465 A481 F484 L485F437-V459 HydrophobicContact CD1-CB 4.47Å; F437-V459 HydrophobicContact CD1-CG2 3.85Å; F437-V459 HydrophobicContact CE1-CB 4.5Å; F437-V459 HydrophobicContact CE1-CG2 3.45Å; F437-V459 VanDerWaalsContact CE1-CG2 3.45Å; F437-V459 HydrophobicContact CZ-CG2 4.13Å; L455-V459 HydrophobicContact CB-CG2 4.06Å; L455-V459 HydrophobicContact CD2-CG2 3.56Å; L455-V459 HydrophobicContact CG-CG2 4.32Å; P456-V459 VanDerWaalsContact O-CG2 3.23Å; P456-V459 WeakPolarHBondContact O-CG2 3.21Å; P456-V459 PolarHBondContact O-N 2.79Å; S457-V459 PolarHBondContact O-N 3.19Å; S457-V459 VanDerWaalsContact O-N 3.15Å; V459-Q461 PolarHBondContact O-N 2.97Å; V459-L462 WeakPolarHBondContact O-CB 3.36Å; V459-L462 PolarHBondContact O-N 3.11Å; V459-L465 HydrophobicContact CG1-CD2 4.49Å; V459-A481 HydrophobicContact CB-CB 4.49Å; V459-F484 HydrophobicContact CG1-CD1 3.71Å; V459-F484 HydrophobicContact CG1-CE1 3.86Å; V459-F484 VanDerWaalsContact O-CE1 3.31Å; V459-F484 WeakPolarHBondContact O-CE1 3.15Å; V459-L485 HydrophobicContact CG1-CD2 4.35Å
460S83.6Confident85.7Confident65 Ų6545 Ų4546%0.45524%0.244SC..G310 helixtrans-57.1-19.6174.8590000114.8S457 A458 L462S457-S460 WeakPolarHBondContact O-CB 3.19Å; S457-S460 PolarHBondContact O-N 3.3Å; S457-S460 VanDerWaalsContact O-N 3.15Å; S457-S460 PolarHBondContact O-OG 3.49Å; A458-S460 PolarHBondContact O-N 2.79Å; S460-L462 VanDerWaalsContact C-N 3.29Å
461Q86.7Confident85.9Confident99 Ų9947.6 Ų47.646%0.46325%0.254SS..G310 helixtrans-73-20.9175.5-63.4177.9-10.600112.8F437 A458 V459 V463F437-Q461 WeakPolarHBondContact O-CB 3.32Å; F437-Q461 PolarHBondContact O-OE1 3.11Å; A458-Q461 WeakPolarHBondContact O-CB 3.43Å; A458-Q461 WeakPolarHBondContact O-CG 3.25Å; A458-Q461 PolarHBondContact O-N 2.91Å; V459-Q461 PolarHBondContact O-N 2.97Å; Q461-V463 VanDerWaalsContact C-N 3.29Å; Q461-V463 PolarHBondContact O-N 3.39Å
462L84.8Confident86.2Confident0 Ų045.9 Ų45.90%024%0.239CC..  trans-85.458.3-174.8-63.2177.6000112.8F437 L439 M442 V459 S460 N464 L465 F484F437-L462 HydrophobicContact CD1-CD1 3.91Å; F437-L462 WeakPolarHBondContact O-CD2 3.27Å; L439-L462 WeakPolarHBondContact O-CD2 3.33Å; M442-L462 HydrophobicContact CE-CD1 3.61Å; M442-L462 HydrophobicContact CE-CD2 3.93Å; M442-L462 HydrophobicContact CE-CG 4.38Å; V459-L462 WeakPolarHBondContact O-CB 3.36Å; V459-L462 PolarHBondContact O-N 3.11Å; S460-L462 VanDerWaalsContact C-N 3.29Å; L462-N464 PolarHBondContact O-N 2.96Å; L462-L465 HydrophobicContact CB-CB 4.09Å; L462-L465 HydrophobicContact CD1-CD2 4.44Å; L462-L465 VanDerWaalsContact O-CB 3.29Å; L462-L465 WeakPolarHBondContact O-CB 3.37Å; L462-L465 PolarHBondContact O-N 3.32Å; L462-F484 VanDerWaalsContact O-CZ 3.27Å; L462-F484 WeakPolarHBondContact O-CZ 3.37Å
463V84.9Confident86.6Confident96 Ų9639.3 Ų39.358%0.58221%0.21SC*.THydrogen-bonded Turntrans-51.5-30.2-171.5-1720000114.3Q461Q461-V463 VanDerWaalsContact C-N 3.29Å; Q461-V463 PolarHBondContact O-N 3.39Å
464N87Confident86.6Confident74 Ų7442.3 Ų42.340%0.39623%0.231SC..THydrogen-bonded Turntrans-90.7-0-177.5-67.3-40.6000114.9T440 M442 E443 L462 K466T440-N464 PolarHBondContact O-ND2 3.39Å; M442-N464 CarbonylContact O-C 3.1Å; E443-N464 WeakPolarHBondContact CA-O 3.44Å; E443-N464 HydrophobicContact CG-CB 4.43Å; L462-N464 PolarHBondContact O-N 2.96Å; N464-K466 WeakPolarHBondContact O-CG 3.38Å; N464-K466 PolarHBondContact O-N 3.5Å; N464-K466 VanDerWaalsContact O-N 3.13Å
465L89.9Confident86.6Confident4 Ų436.4 Ų36.42%0.02121%0.206CC..  trans-65.5113.4-176.7-17471.2000111M442 L445 V459 L462 L485M442-L465 HydrophobicContact CE-CD1 4.26Å; L445-L465 HydrophobicContact CB-CD1 3.81Å; V459-L465 HydrophobicContact CG1-CD2 4.49Å; L462-L465 HydrophobicContact CB-CB 4.09Å; L462-L465 HydrophobicContact CD1-CD2 4.44Å; L462-L465 VanDerWaalsContact O-CB 3.29Å; L462-L465 WeakPolarHBondContact O-CB 3.37Å; L462-L465 PolarHBondContact O-N 3.32Å; L465-L485 HydrophobicContact CD2-CD2 4.2Å
466K90.5Very high86.5Confident68 Ų6840.2 Ų40.230%0.29623%0.229SC..  trans-113.4-27.5-179.1-70.1164-168.8162.60112.6E443 N464 K490 I491E443-K466 PolarHBondContact O-N 3.09Å; E443-K466 IonicContact OE1-NZ 3.89Å; E443-K466 PolarHBondContact OE1-NZ 3.33Å; E443-K466 IonicContact OE2-NZ 3.37Å; N464-K466 WeakPolarHBondContact O-CG 3.38Å; N464-K466 PolarHBondContact O-N 3.5Å; N464-K466 VanDerWaalsContact O-N 3.13Å; K466-K490 PolarHBondContact O-N 2.96Å; K466-I491 PolarHBondContact O-N 3.01Å
467E93.4Very high86.5Confident0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-131.1131.3-174.9-176.9170.2167.500111.7K421 E443 V444 L445 R469 I491 R493K421-E467 IonicContact NZ-OE2 3.51Å; K421-E467 PolarHBondContact NZ-OE2 2.95Å; E443-E467 PolarHBondContact O-N 3.04Å; E443-E467 VanDerWaalsContact O-N 3.07Å; V444-E467 WeakPolarHBondContact CA-O 2.92Å; V444-E467 HydrophobicContact CB-CB 4.37Å; V444-E467 HydrophobicContact CG1-CB 4.13Å; V444-E467 HydrophobicContact CG1-CG 4.03Å; V444-E467 HydrophobicContact CG2-CB 4.05Å; L445-E467 PolarHBondContact N-O 3.26Å; E467-R469 HydrophobicContact CG-CG 4.25Å; E467-R469 IonicContact OE1-CZ 3.29Å; E467-R469 IonicContact OE1-NE 2.74Å; E467-R469 PolarHBondContact OE1-NE 3.43Å; E467-R469 IonicContact OE1-NH2 3.73Å; E467-R469 PolarHBondContact OE1-NH2 3.49Å; E467-R469 VanDerWaalsContact OE1-NH2 3.12Å; E467-R469 IonicContact OE2-NH2 3.77Å; E467-I491 VanDerWaalsContact CA-O 3.31Å; E467-I491 WeakPolarHBondContact CA-O 3.49Å; E467-I491 HydrophobicContact CB-CB 4.02Å; E467-I491 HydrophobicContact CB-CG2 4.5Å; E467-I491 HydrophobicContact CG-CB 3.81Å; E467-I491 HydrophobicContact CG-CG2 3.74Å; E467-R493 IonicContact OE1-CZ 3.75Å; E467-R493 IonicContact OE1-NE 2.65Å; E467-R493 PolarHBondContact OE1-NE 3.43Å; E467-R493 IonicContact OE1-NH2 2.83Å
468L92.9Very high86.5Confident1 Ų140 Ų401%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-121124.8175.2-179.464.8000109.1L445 V470 L475 L489 I491 L492 R493 W505L445-L468 HydrophobicContact CB-CD1 4.06Å; L445-L468 HydrophobicContact CD2-CD1 4.01Å; L445-L468 HydrophobicContact CG-CD1 4.13Å; L468-V470 HydrophobicContact CD1-CG2 4.4Å; L468-V470 HydrophobicContact CD2-CG2 4.26Å; L468-V470 HydrophobicContact CG-CG2 4Å; L468-L475 HydrophobicContact CD2-CD2 3.98Å; L468-L489 HydrophobicContact CB-CD1 3.71Å; L468-L489 HydrophobicContact CB-CD2 4.29Å; L468-I491 PolarHBondContact N-O 3.17Å; L468-L492 HydrophobicContact CB-CD1 4.01Å; L468-L492 HydrophobicContact CD2-CD1 4.05Å; L468-L492 HydrophobicContact CG-CD1 4.17Å; L468-R493 PolarHBondContact O-N 3.23Å; L468-W505 HydrophobicContact CD2-CH2 4.41Å
469R92.9Very high86.4Confident35 Ų3546.4 Ų46.413%0.13225%0.246CC..EExtended strand (participates in β ladder)trans-115.4121.6176-46.7-176.7-179.4147.62.7109N417 E423 V444 L445 S446 L447 E467 Y471 R493N417-R469 PolarHBondContact ND2-NH2 2.96Å; E423-R469 IonicContact OE2-CZ 2.78Å; E423-R469 IonicContact OE2-NH1 3.19Å; E423-R469 PolarHBondContact OE2-NH1 3.33Å; V444-R469 HydrophobicContact CG1-CG 4.36Å; L445-R469 PolarHBondContact O-N 3.17Å; S446-R469 WeakPolarHBondContact CA-O 3.24Å; L447-R469 PolarHBondContact N-O 3.42Å; E467-R469 HydrophobicContact CG-CG 4.25Å; E467-R469 IonicContact OE1-CZ 3.29Å; E467-R469 IonicContact OE1-NE 2.74Å; E467-R469 PolarHBondContact OE1-NE 3.43Å; E467-R469 IonicContact OE1-NH2 3.73Å; E467-R469 PolarHBondContact OE1-NH2 3.49Å; E467-R469 VanDerWaalsContact OE1-NH2 3.12Å; E467-R469 IonicContact OE2-NH2 3.77Å; R469-Y471 HydrophobicContact CB-CE1 4.29Å; R469-Y471 HydrophobicContact CB-CE2 4.13Å; R469-Y471 WeakPolarHBondContact CD-OH 3.42Å; R469-R493 CarbonylContact C-O 3.45Å; R469-R493 WeakPolarHBondContact CA-O 3.49Å; R469-R493 HydrophobicContact CB-CB 4.26Å; R469-R493 HydrophobicContact CG-CB 4.17Å; R469-R493 HydrophobicContact CG-CG 4.27Å
470V90.9Very high86.4Confident5 Ų550.3 Ų50.33%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-122.8111.4178.6-171.80000108L468 L475 R493 L494 K495L468-V470 HydrophobicContact CD1-CG2 4.4Å; L468-V470 HydrophobicContact CD2-CG2 4.26Å; L468-V470 HydrophobicContact CG-CG2 4Å; V470-L475 HydrophobicContact CG1-CB 4.47Å; V470-L475 HydrophobicContact CG2-CD2 3.79Å; V470-R493 PolarHBondContact N-O 3.46Å; V470-L494 HydrophobicContact CB-CD2 3.72Å; V470-L494 HydrophobicContact CG2-CD2 3.91Å; V470-L494 WeakPolarHBondContact O-CA 3.3Å; V470-K495 PolarHBondContact O-N 2.85Å
471Y89.4Confident86.5Confident56 Ų5647.2 Ų47.222%0.2225%0.25CC..EExtended strand (participates in β ladder)trans-114.2119.4-178.5-57.6-36.1000109.3L447 E448 L449 R469 S473 R493 K495L447-Y471 PolarHBondContact O-N 2.69Å; E448-Y471 WeakPolarHBondContact CA-O 3.49Å; E448-Y471 HydrophobicContact CB-CD2 4.39Å; L449-Y471 PolarHBondContact N-O 3.47Å; R469-Y471 HydrophobicContact CB-CE1 4.29Å; R469-Y471 HydrophobicContact CB-CE2 4.13Å; R469-Y471 WeakPolarHBondContact CD-OH 3.42Å; Y471-S473 PolarHBondContact O-N 3.26Å; Y471-S473 PolarHBondContact O-OG 2.94Å; Y471-R493 HydrophobicContact CE1-CB 4.41Å; Y471-K495 HydrophobicContact CD1-CB 3.5Å; Y471-K495 HydrophobicContact CD1-CD 4.31Å; Y471-K495 HydrophobicContact CE1-CB 4.16Å; Y471-K495 HydrophobicContact CG-CB 4.39Å
472H84.9Confident86.5Confident40 Ų4043.6 Ų43.619%0.18523%0.234CC..SBendtrans53.334.5172.8-51.9-53.9000113.7L449 K495 F496 T497L449-H472 HydrophobicContact CD2-CB 3.63Å; L449-H472 HydrophobicContact CG-CB 4.36Å; H472-K495 PolarHBondContact N-O 2.96Å; H472-K495 WeakPolarHBondContact NE2-CE 3.48Å; H472-F496 VanDerWaalsContact ND1-C 3.35Å; H472-T497 HydrophobicContact CB-CG2 3.95Å; H472-T497 VanDerWaalsContact CE1-CG2 3.46Å; H472-T497 WeakPolarHBondContact CE1-CG2 3.46Å; H472-T497 VanDerWaalsContact CG-CG2 3.45Å; H472-T497 WeakPolarHBondContact ND1-CA 3.48Å; H472-T497 WeakPolarHBondContact ND1-CG2 3.47Å; H472-T497 PolarHBondContact ND1-N 3.15Å
473S82.1Confident86.5Confident8 Ų846.1 Ų46.16%0.05625%0.254CS..  trans-131.7142.7-174.6-54.80000110.1L449 I450 Y471L449-S473 PolarHBondContact N-OG 3.46Å; I450-S473 PolarHBondContact N-OG 2.87Å; I450-S473 VanDerWaalsContact O-CB 3.26Å; I450-S473 WeakPolarHBondContact O-CB 3.11Å; I450-S473 PolarHBondContact O-OG 3.44Å; Y471-S473 PolarHBondContact O-N 3.26Å; Y471-S473 PolarHBondContact O-OG 2.94Å
474S80.8Confident86.6Confident65 Ų6542.8 Ų42.846%0.45523%0.232SC..  trans-88.8125.3172.355.70000109.6E452 V453E452-S474 WeakPolarHBondContact CA-OG 3.29Å; E452-S474 PolarHBondContact N-OG 3.18Å; V453-S474 PolarHBondContact N-O 3.14Å
475L82.8Confident86.6Confident15 Ų1539.4 Ų39.48%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-117.5115.3-175.8-171.562.8000111.1V453 L455 L468 V470 V477 W505V453-L475 HydrophobicContact CB-CD1 3.69Å; V453-L475 HydrophobicContact CG1-CD1 3.41Å; V453-L475 VanDerWaalsContact CG1-CD1 3.41Å; V453-L475 WeakPolarHBondContact O-CA 3.46Å; L455-L475 HydrophobicContact CD1-CD1 3.68Å; L455-L475 HydrophobicContact CD1-CD2 3.75Å; L455-L475 HydrophobicContact CD1-CG 4.06Å; L455-L475 HydrophobicContact CG-CD1 3.73Å; L468-L475 HydrophobicContact CD2-CD2 3.98Å; V470-L475 HydrophobicContact CG1-CB 4.47Å; V470-L475 HydrophobicContact CG2-CD2 3.79Å; L475-V477 HydrophobicContact CD2-CG2 4.38Å; L475-V477 HydrophobicContact CG-CG2 4.11Å; L475-W505 HydrophobicContact CB-CZ2 4.3Å; L475-W505 HydrophobicContact CD2-CH2 3.86Å; L475-W505 HydrophobicContact CD2-CZ2 3.59Å; L475-W505 HydrophobicContact CG-CZ2 4.11Å; L475-W505 PolarHBondContact O-NE1 3.06Å
476V83.4Confident86.5Confident83 Ų8341.6 Ų41.650%0.50322%0.224SC..EExtended strand (participates in β ladder)trans-105.2130171-176.80000108.1V453 K454 L455V453-V476 PolarHBondContact O-N 3.3Å; K454-V476 CarbonylContact C-O 3.39Å; K454-V476 VanDerWaalsContact CA-O 3.31Å; K454-V476 WeakPolarHBondContact CA-O 3.46Å; K454-V476 HydrophobicContact CG-CB 4.4Å; L455-V476 PolarHBondContact N-O 3.05Å
477V83.8Confident86.2Confident20 Ų2045.2 Ų45.212%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-116.3128.2-175.6-173.70000108.8L455 L475 A481 L482 L485 W505L455-V477 HydrophobicContact CB-CG1 4.38Å; L455-V477 HydrophobicContact CB-CG2 4.47Å; L455-V477 HydrophobicContact CD1-CG2 4.11Å; L475-V477 HydrophobicContact CD2-CG2 4.38Å; L475-V477 HydrophobicContact CG-CG2 4.11Å; V477-A481 HydrophobicContact CG1-CB 3.87Å; V477-L482 HydrophobicContact CG1-CB 4.18Å; V477-L485 HydrophobicContact CG1-CD1 3.91Å; V477-W505 HydrophobicContact CB-CG 4.36Å; V477-W505 HydrophobicContact CG2-CD2 3.75Å; V477-W505 HydrophobicContact CG2-CE3 4.22Å; V477-W505 HydrophobicContact CG2-CG 4.03Å; V477-W505 HydrophobicContact CG2-CZ2 4.17Å
478D83.3Confident85.9Confident74 Ų7447.4 Ų47.440%0.39625%0.254SS..  trans-72.7151.7174.6-67.3-20.8000111.1L455 P480 A481 L482L455-D478 PolarHBondContact O-N 3.3Å; D478-P480 VanDerWaalsContact C-CD 3.5Å; D478-A481 WeakPolarHBondContact O-CB 3.44Å; D478-A481 PolarHBondContact O-N 3.4Å; D478-L482 PolarHBondContact O-N 3.38Å
479H82Confident85.8Confident165 Ų16547.4 Ų47.476%0.76425%0.254SS*.Hα-helixtrans-52.8-43.5-178.5-90.3-67.1000114.9A481 L482 A483H479-A481 VanDerWaalsContact C-N 3.34Å; H479-A481 PolarHBondContact O-N 3.09Å; H479-L482 WeakPolarHBondContact O-CB 3.31Å; H479-L482 PolarHBondContact O-N 3.27Å; H479-A483 PolarHBondContact O-N 2.95Å
480P83.6Confident85.7Confident83 Ų8350 Ų5054%0.53927%0.266SS..Hα-helixtrans-65.8-35.6177.4-20.432.9000113.1D478 L482D478-P480 VanDerWaalsContact C-CD 3.5Å; P480-L482 VanDerWaalsContact C-N 3.32Å
481A85.6Confident85.8Confident0 Ų050.4 Ų50.40%027%0.268CS..Hα-helixtrans-69.4-33.3177.100000111.4P456 V459 V477 D478 H479 F484 L485P456-A481 WeakPolarHBondContact O-CB 3.4Å; V459-A481 HydrophobicContact CB-CB 4.49Å; V477-A481 HydrophobicContact CG1-CB 3.87Å; D478-A481 WeakPolarHBondContact O-CB 3.44Å; D478-A481 PolarHBondContact O-N 3.4Å; H479-A481 VanDerWaalsContact C-N 3.34Å; H479-A481 PolarHBondContact O-N 3.09Å; A481-F484 PolarHBondContact O-N 3.25Å; A481-L485 WeakPolarHBondContact O-CG 3.46Å; A481-L485 PolarHBondContact O-N 3.4Å
482L86.5Confident86Confident24 Ų2447.7 Ų47.713%0.12626%0.257CS..Hα-helixtrans-62.8-42.2177.3-170.9149.4000112.2V477 D478 H479 P480 F484 L485 E486 W505 H508V477-L482 HydrophobicContact CG1-CB 4.18Å; D478-L482 PolarHBondContact O-N 3.38Å; H479-L482 WeakPolarHBondContact O-CB 3.31Å; H479-L482 PolarHBondContact O-N 3.27Å; P480-L482 VanDerWaalsContact C-N 3.32Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 3.47Å; L482-L485 PolarHBondContact O-N 3.24Å; L482-E486 WeakPolarHBondContact O-CB 3.12Å; L482-E486 PolarHBondContact O-N 3.4Å; L482-W505 HydrophobicContact CD1-CB 3.6Å; L482-H508 HydrophobicContact CD1-CB 4.42Å; L482-H508 HydrophobicContact CD2-CB 3.99Å
483A85.8Confident86.4Confident53 Ų5348.2 Ų48.244%0.43826%0.258SS..Hα-helixtrans-60.5-42.9176.500000111.7H479 E486 E487H479-A483 PolarHBondContact O-N 2.95Å; A483-E486 PolarHBondContact O-N 2.84Å; A483-E487 PolarHBondContact O-N 3.4Å
484F87.6Confident86.8Confident26 Ų2648.1 Ų48.111%0.11426%0.256CS..Hα-helixtrans-63.8-43.1175.8173.5-94.3000112.8V459 L462 A481 L482 E486 E487 N488V459-F484 HydrophobicContact CG1-CD1 3.71Å; V459-F484 HydrophobicContact CG1-CE1 3.86Å; V459-F484 VanDerWaalsContact O-CE1 3.31Å; V459-F484 WeakPolarHBondContact O-CE1 3.15Å; L462-F484 VanDerWaalsContact O-CZ 3.27Å; L462-F484 WeakPolarHBondContact O-CZ 3.37Å; A481-F484 PolarHBondContact O-N 3.25Å; L482-F484 VanDerWaalsContact C-N 3.32Å; L482-F484 PolarHBondContact O-N 3.47Å; F484-E486 VanDerWaalsContact C-N 3.33Å; F484-E487 PolarHBondContact O-N 3.24Å; F484-N488 VanDerWaalsContact CD2-ND2 3.32Å; F484-N488 WeakPolarHBondContact CD2-ND2 3.45Å; F484-N488 WeakPolarHBondContact CE2-ND2 3.3Å; F484-N488 HydrophobicContact CZ-CB 4.28Å; F484-N488 WeakPolarHBondContact CZ-ND2 3.48Å; F484-N488 PolarHBondContact O-N 3.41Å; F484-N488 PolarHBondContact O-ND2 3.32Å
485L86.8Confident87.1Confident2 Ų249.1 Ų49.11%0.0125%0.253CS..Hα-helixtrans-67.2-34.9178.2-70.3172.4000111.9L455 V459 L465 V477 A481 L482 E487 L489 L509L455-L485 HydrophobicContact CD1-CD1 4.32Å; V459-L485 HydrophobicContact CG1-CD2 4.35Å; L465-L485 HydrophobicContact CD2-CD2 4.2Å; V477-L485 HydrophobicContact CG1-CD1 3.91Å; A481-L485 WeakPolarHBondContact O-CG 3.46Å; A481-L485 PolarHBondContact O-N 3.4Å; L482-L485 PolarHBondContact O-N 3.24Å; L485-E487 VanDerWaalsContact C-N 3.29Å; L485-E487 PolarHBondContact O-N 2.97Å; L485-L489 WeakPolarHBondContact O-CB 3.32Å; L485-L489 PolarHBondContact O-N 3.42Å; L485-L509 HydrophobicContact CB-CD2 3.87Å
486E86.4Confident87Confident51 Ų5150.1 Ų50.124%0.23826%0.256CS..Hα-helixtrans-59.8-39.4176.5-176.3177.7177.800111.5L482 A483 F484 K510 N511L482-E486 WeakPolarHBondContact O-CB 3.12Å; L482-E486 PolarHBondContact O-N 3.4Å; A483-E486 PolarHBondContact O-N 2.84Å; F484-E486 VanDerWaalsContact C-N 3.33Å; E486-K510 WeakPolarHBondContact OE1-CD 3.37Å; E486-K510 WeakPolarHBondContact OE1-CG 3.48Å; E486-K510 IonicContact OE1-NZ 3.82Å; E486-K510 PolarHBondContact OE1-NZ 3.5Å; E486-N511 VanDerWaalsContact O-CB 3.28Å; E486-N511 WeakPolarHBondContact O-CB 3.41Å
487E85.8Confident86.1Confident143 Ų14351.2 Ų51.267%0.66826%0.263SS*.Hα-helixtrans-77.5-41.3-178.5-67.4-175.5172.100113.1A483 F484 L485 N511A483-E487 PolarHBondContact O-N 3.4Å; F484-E487 PolarHBondContact O-N 3.24Å; L485-E487 VanDerWaalsContact C-N 3.29Å; L485-E487 PolarHBondContact O-N 2.97Å; E487-N511 PolarHBondContact O-ND2 3.04Å; E487-N511 VanDerWaalsContact O-ND2 3.14Å
488N86.9Confident85Confident47 Ų4758 Ų5825%0.25129%0.293SS..Hα-helixtrans-101.6-30.1-165.5-65.5-62.1000115F484 K490F484-N488 VanDerWaalsContact CD2-ND2 3.32Å; F484-N488 WeakPolarHBondContact CD2-ND2 3.45Å; F484-N488 WeakPolarHBondContact CE2-ND2 3.3Å; F484-N488 HydrophobicContact CZ-CB 4.28Å; F484-N488 WeakPolarHBondContact CZ-ND2 3.48Å; F484-N488 PolarHBondContact O-N 3.41Å; F484-N488 PolarHBondContact O-ND2 3.32Å; N488-K490 PolarHBondContact O-N 3.19Å
489L90.7Very high83.9Confident1 Ų161.1 Ų61.11%0.00531%0.307CS..  trans-75.7122.4-171-163.273.4000111.8L468 L485 L492 L509 L512L468-L489 HydrophobicContact CB-CD1 3.71Å; L468-L489 HydrophobicContact CB-CD2 4.29Å; L485-L489 WeakPolarHBondContact O-CB 3.32Å; L485-L489 PolarHBondContact O-N 3.42Å; L489-L492 HydrophobicContact CD2-CB 4.25Å; L489-L492 HydrophobicContact CD2-CD1 4.16Å; L489-L509 HydrophobicContact CD2-CD1 3.91Å; L489-L512 HydrophobicContact CD2-CD1 4.32Å; L489-L512 HydrophobicContact CG-CD1 4.39Å
490K91.1Very high82.9Confident88 Ų8854.1 Ų54.138%0.38328%0.28SS..  trans-106.5-34.3179.9-66.9176.1-175.4169.10112.6K466 N488 K513 E514K466-K490 PolarHBondContact O-N 2.96Å; N488-K490 PolarHBondContact O-N 3.19Å; K490-K513 PolarHBondContact O-N 3.46Å; K490-E514 PolarHBondContact O-N 3.06Å
491I93.2Very high82Confident14 Ų1457.9 Ų57.97%0.07229%0.288CS..EExtended strand (participates in β ladder)trans-127.1128.7-175-55.8175.3000108.9K466 E467 L468 R493 E514 Y516K466-I491 PolarHBondContact O-N 3.01Å; E467-I491 VanDerWaalsContact CA-O 3.31Å; E467-I491 WeakPolarHBondContact CA-O 3.49Å; E467-I491 HydrophobicContact CB-CB 4.02Å; E467-I491 HydrophobicContact CB-CG2 4.5Å; E467-I491 HydrophobicContact CG-CB 3.81Å; E467-I491 HydrophobicContact CG-CG2 3.74Å; L468-I491 PolarHBondContact N-O 3.17Å; I491-R493 HydrophobicContact CG2-CG 4.38Å; I491-E514 WeakPolarHBondContact CA-O 3.41Å; I491-E514 HydrophobicContact CG1-CB 4.15Å; I491-E514 HydrophobicContact CG1-CG 4.24Å; I491-E514 HydrophobicContact CG2-CB 4.23Å; I491-Y516 HydrophobicContact CG2-CD2 4.28Å; I491-Y516 HydrophobicContact CG2-CE2 3.95Å
492L93.4Very high81.5Confident0 Ų059 Ų590%029%0.294CS..EExtended strand (participates in β ladder)trans-126.6126175.1-179.166000109.8L468 L489 L494 W505 V506 L509 L512 E514 L515 Y516L468-L492 HydrophobicContact CB-CD1 4.01Å; L468-L492 HydrophobicContact CD2-CD1 4.05Å; L468-L492 HydrophobicContact CG-CD1 4.17Å; L489-L492 HydrophobicContact CD2-CB 4.25Å; L489-L492 HydrophobicContact CD2-CD1 4.16Å; L492-L494 HydrophobicContact CD1-CD2 3.91Å; L492-L494 HydrophobicContact CD1-CG 4.33Å; L492-L494 HydrophobicContact CD2-CD1 4.09Å; L492-L494 HydrophobicContact CD2-CD2 4.46Å; L492-L494 HydrophobicContact CD2-CG 4.21Å; L492-L494 HydrophobicContact CG-CD1 4.46Å; L492-L494 HydrophobicContact CG-CD2 4.18Å; L492-L494 HydrophobicContact CG-CG 4.03Å; L492-W505 HydrophobicContact CD1-CH2 4.26Å; L492-W505 HydrophobicContact CD2-CH2 4.34Å; L492-W505 HydrophobicContact CD2-CZ3 4.37Å; L492-V506 HydrophobicContact CD2-CB 4.34Å; L492-V506 HydrophobicContact CD2-CG1 3.66Å; L492-V506 HydrophobicContact CD2-CG2 3.9Å; L492-L509 HydrophobicContact CD2-CD1 4.17Å; L492-L512 HydrophobicContact CB-CD1 3.74Å; L492-L512 HydrophobicContact CB-CD2 4.26Å; L492-E514 PolarHBondContact N-O 3.33Å; L492-L515 HydrophobicContact CB-CD1 4.09Å; L492-L515 HydrophobicContact CD2-CD1 3.93Å; L492-L515 HydrophobicContact CG-CD1 4.19Å; L492-Y516 PolarHBondContact O-N 3.37Å
493R92.8Very high81.2Confident51 Ų5159.3 Ų59.319%0.19230%0.297CS..EExtended strand (participates in β ladder)trans-117.5119.3174.2-54.4-173.7-178.6-93.3-7109.4E467 L468 R469 V470 Y471 I491 Y516E467-R493 IonicContact OE1-CZ 3.75Å; E467-R493 IonicContact OE1-NE 2.65Å; E467-R493 PolarHBondContact OE1-NE 3.43Å; E467-R493 IonicContact OE1-NH2 2.83Å; L468-R493 PolarHBondContact O-N 3.23Å; R469-R493 CarbonylContact C-O 3.45Å; R469-R493 WeakPolarHBondContact CA-O 3.49Å; R469-R493 HydrophobicContact CB-CB 4.26Å; R469-R493 HydrophobicContact CG-CB 4.17Å; R469-R493 HydrophobicContact CG-CG 4.27Å; V470-R493 PolarHBondContact N-O 3.46Å; Y471-R493 HydrophobicContact CE1-CB 4.41Å; I491-R493 HydrophobicContact CG2-CG 4.38Å; R493-Y516 WeakPolarHBondContact CA-O 3.41Å; R493-Y516 HydrophobicContact CG-CD2 3.71Å; R493-Y516 HydrophobicContact CG-CE2 4.47Å; R493-Y516 HydrophobicContact CG-CG 4.03Å; R493-Y516 PolarHBondContact NH2-OH 2.94Å
494L90.4Very high80.9Confident6 Ų665.6 Ų65.63%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-120126.4176.5-57178000109.5V470 L492 F496 V506 Y516 L517 S518V470-L494 HydrophobicContact CB-CD2 3.72Å; V470-L494 HydrophobicContact CG2-CD2 3.91Å; V470-L494 WeakPolarHBondContact O-CA 3.3Å; L492-L494 HydrophobicContact CD1-CD2 3.91Å; L492-L494 HydrophobicContact CD1-CG 4.33Å; L492-L494 HydrophobicContact CD2-CD1 4.09Å; L492-L494 HydrophobicContact CD2-CD2 4.46Å; L492-L494 HydrophobicContact CD2-CG 4.21Å; L492-L494 HydrophobicContact CG-CD1 4.46Å; L492-L494 HydrophobicContact CG-CD2 4.18Å; L492-L494 HydrophobicContact CG-CG 4.03Å; L494-F496 HydrophobicContact CB-CE2 3.67Å; L494-F496 HydrophobicContact CB-CZ 4.07Å; L494-F496 HydrophobicContact CD1-CE2 4.3Å; L494-F496 HydrophobicContact CD1-CZ 4.21Å; L494-V506 HydrophobicContact CD1-CG2 3.97Å; L494-Y516 PolarHBondContact N-O 3.29Å; L494-L517 HydrophobicContact CB-CD2 3.99Å; L494-L517 HydrophobicContact CD1-CD2 3.84Å; L494-L517 HydrophobicContact CG-CD2 4.24Å; L494-L517 CarbonylContact O-C 3.4Å; L494-L517 WeakPolarHBondContact O-CA 3.36Å; L494-S518 PolarHBondContact O-N 2.67Å
495K86.4Confident80.8Confident86 Ų8665.4 Ų65.437%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-124.8123.9172.6-170.2-176.3179.6-167.80109V470 Y471 H472 S518V470-K495 PolarHBondContact O-N 2.85Å; Y471-K495 HydrophobicContact CD1-CB 3.5Å; Y471-K495 HydrophobicContact CD1-CD 4.31Å; Y471-K495 HydrophobicContact CE1-CB 4.16Å; Y471-K495 HydrophobicContact CG-CB 4.39Å; H472-K495 PolarHBondContact N-O 2.96Å; H472-K495 WeakPolarHBondContact NE2-CE 3.48Å; K495-S518 CarbonylContact C-O 3.48Å; K495-S518 WeakPolarHBondContact CA-O 3.14Å
496F80.7Confident80.7Confident36 Ų3665.4 Ų65.416%0.15831%0.308CS..EExtended strand (participates in β ladder)trans-107.9144.2177.8-59-86000110H472 L494 E498 S518 C520H472-F496 VanDerWaalsContact ND1-C 3.35Å; L494-F496 HydrophobicContact CB-CE2 3.67Å; L494-F496 HydrophobicContact CB-CZ 4.07Å; L494-F496 HydrophobicContact CD1-CE2 4.3Å; L494-F496 HydrophobicContact CD1-CZ 4.21Å; F496-E498 WeakPolarHBondContact CB-O 2.95Å; F496-S518 PolarHBondContact N-O 3.42Å; F496-C520 WeakPolarHBondContact CD2-SG 3.37Å; F496-C520 WeakPolarHBondContact CE2-SG 3.05Å
497T64.7Low80.4Confident105 Ų10563.9 Ų63.964%0.64430%0.301SS*.EExtended strand (participates in β ladder)trans-82.5-43.8174.825.60000110.5H472H472-T497 HydrophobicContact CB-CG2 3.95Å; H472-T497 VanDerWaalsContact CE1-CG2 3.46Å; H472-T497 WeakPolarHBondContact CE1-CG2 3.46Å; H472-T497 VanDerWaalsContact CG-CG2 3.45Å; H472-T497 WeakPolarHBondContact ND1-CA 3.48Å; H472-T497 WeakPolarHBondContact ND1-CG2 3.47Å; H472-T497 PolarHBondContact ND1-N 3.15Å
498E61.4Low80.3Confident162 Ų16261.7 Ų61.776%0.75729%0.29SS*.EExtended strand (participates in β ladder)trans-100.8165176.1-62.5-177.1177.200109.8F496 G500F496-E498 WeakPolarHBondContact CB-O 2.95Å; E498-G500 PolarHBondContact O-N 3.44Å
499M60Low80.2Confident140 Ų14059.5 Ų59.569%0.6928%0.279SS*.EExtended strand (participates in β ladder)trans-60.575.1174.9-62.4-84.2-106.400110.4V521M499-V521 HydrophobicContact CB-CG2 3.57Å; M499-V521 HydrophobicContact CE-CG2 3.45Å; M499-V521 VanDerWaalsContact CE-CG2 3.45Å; M499-V521 HydrophobicContact CG-CG2 3.82Å; M499-V521 HydrophobicContact SD-CG2 3.05Å; M499-V521 WeakPolarHBondContact SD-CG2 3.32Å
500G60.3Low79.8Confident19 Ų1964.5 Ų64.520%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-88.5143.8-171.200000112.2E498E498-G500 PolarHBondContact O-N 3.44Å
501K66.3Low79.6Confident161 Ų16164 Ų6470%0.730%0.302SS*.PPolyproline II helixtrans-74.5137.6170.8-68.4179.3-179.7178.30109.6
502I74Confident79.4Confident24 Ų2463.3 Ų63.312%0.12330%0.298CS..PPolyproline II helixtrans-61.6128.5171.8-57.8167.8000108.7V506 F507 L517 C520 F534I502-V506 HydrophobicContact CG2-CB 4.24Å; I502-V506 HydrophobicContact CG2-CG1 4.5Å; I502-V506 HydrophobicContact CG2-CG2 4.25Å; I502-F507 HydrophobicContact CB-CZ 4.26Å; I502-F507 HydrophobicContact CG2-CE2 4.23Å; I502-F507 HydrophobicContact CG2-CZ 3.86Å; I502-L517 HydrophobicContact CD1-CD1 3.75Å; I502-L517 HydrophobicContact CG1-CD1 4.5Å; I502-C520 HydrophobicContact CG1-CB 4.34Å; I502-F534 HydrophobicContact CD1-CZ 4.49Å
503P80.4Confident79.3Confident30 Ų3067.2 Ų67.220%0.19532%0.315CS..PPolyproline II helixtrans-61.6138.1177.2-22.832.6000112.4W505 V506P503-W505 VanDerWaalsContact CB-CD1 3.48Å; P503-W505 HydrophobicContact CB-CD2 4.39Å; P503-W505 HydrophobicContact CB-CG 4.23Å; P503-W505 HydrophobicContact CB-CZ2 4.28Å; P503-W505 HydrophobicContact CG-CZ2 4.37Å; P503-W505 PolarHBondContact O-N 3.19Å; P503-V506 HydrophobicContact CB-CG2 4.25Å; P503-V506 WeakPolarHBondContact O-CB 3.26Å; P503-V506 WeakPolarHBondContact O-CG2 3.44Å; P503-V506 PolarHBondContact O-N 3.23Å
504R79.8Confident79.3Confident186 Ų18667.4 Ų67.470%0.70232%0.318SS*.G310 helixtrans-62.7-28.7-176-67.7-177.6179.1168.4-1113.9V506 F507 H508R504-V506 PolarHBondContact O-N 3.16Å; R504-F507 PolarHBondContact O-N 3.47Å; R504-H508 PolarHBondContact O-CE1 2.79Å; R504-H508 PolarHBondContact O-ND1 2.96Å
505W84.7Confident79.3Confident22 Ų2267.2 Ų67.28%0.08332%0.317CS..G310 helixtrans-65.3-24.7-179.960.1-101.8000112.7L468 L475 V477 L482 L492 P503 F507 H508 L509L468-W505 HydrophobicContact CD2-CH2 4.41Å; L475-W505 HydrophobicContact CB-CZ2 4.3Å; L475-W505 HydrophobicContact CD2-CH2 3.86Å; L475-W505 HydrophobicContact CD2-CZ2 3.59Å; L475-W505 HydrophobicContact CG-CZ2 4.11Å; L475-W505 PolarHBondContact O-NE1 3.06Å; V477-W505 HydrophobicContact CB-CG 4.36Å; V477-W505 HydrophobicContact CG2-CD2 3.75Å; V477-W505 HydrophobicContact CG2-CE3 4.22Å; V477-W505 HydrophobicContact CG2-CG 4.03Å; V477-W505 HydrophobicContact CG2-CZ2 4.17Å; L482-W505 HydrophobicContact CD1-CB 3.6Å; L492-W505 HydrophobicContact CD1-CH2 4.26Å; L492-W505 HydrophobicContact CD2-CH2 4.34Å; L492-W505 HydrophobicContact CD2-CZ3 4.37Å; P503-W505 VanDerWaalsContact CB-CD1 3.48Å; P503-W505 HydrophobicContact CB-CD2 4.39Å; P503-W505 HydrophobicContact CB-CG 4.23Å; P503-W505 HydrophobicContact CB-CZ2 4.28Å; P503-W505 HydrophobicContact CG-CZ2 4.37Å; P503-W505 PolarHBondContact O-N 3.19Å; W505-F507 PolarHBondContact O-N 3.44Å; W505-H508 WeakPolarHBondContact O-CB 3.5Å; W505-H508 PolarHBondContact O-N 3.2Å; W505-L509 HydrophobicContact CE3-CD1 4.21Å; W505-L509 HydrophobicContact CZ3-CD1 3.94Å
506V84.7Confident79.6Confident1 Ų165.3 Ų65.31%0.00631%0.308CS..G310 helixtrans-58.8-37.6178.1176.80000111.4L492 L494 I502 P503 R504 H508 L509 L515L492-V506 HydrophobicContact CD2-CB 4.34Å; L492-V506 HydrophobicContact CD2-CG1 3.66Å; L492-V506 HydrophobicContact CD2-CG2 3.9Å; L494-V506 HydrophobicContact CD1-CG2 3.97Å; I502-V506 HydrophobicContact CG2-CB 4.24Å; I502-V506 HydrophobicContact CG2-CG1 4.5Å; I502-V506 HydrophobicContact CG2-CG2 4.25Å; P503-V506 HydrophobicContact CB-CG2 4.25Å; P503-V506 WeakPolarHBondContact O-CB 3.26Å; P503-V506 WeakPolarHBondContact O-CG2 3.44Å; P503-V506 PolarHBondContact O-N 3.23Å; R504-V506 PolarHBondContact O-N 3.16Å; V506-H508 PolarHBondContact O-N 2.99Å; V506-L509 WeakPolarHBondContact O-CB 3.21Å; V506-L509 WeakPolarHBondContact O-CG 3.48Å; V506-L509 PolarHBondContact O-N 2.94Å; V506-L515 HydrophobicContact CG1-CD1 4.32Å
507F81.3Confident79.9Confident20 Ų2063.7 Ų63.79%0.08830%0.301CS..G310 helixtrans-70.6-18.7-179.3-59-57.6000113.7I502 R504 W505 L509 G533 F534 D536I502-F507 HydrophobicContact CB-CZ 4.26Å; I502-F507 HydrophobicContact CG2-CE2 4.23Å; I502-F507 HydrophobicContact CG2-CZ 3.86Å; R504-F507 PolarHBondContact O-N 3.47Å; W505-F507 PolarHBondContact O-N 3.44Å; F507-L509 PolarHBondContact O-N 3.02Å; F507-G533 WeakPolarHBondContact CB-O 3.43Å; F507-G533 VanDerWaalsContact CD1-C 3.47Å; F507-F534 HydrophobicContact CD1-CD2 4.42Å; F507-F534 HydrophobicContact CD1-CG 4.45Å; F507-F534 HydrophobicContact CE1-CD1 4.28Å; F507-F534 AromaticContact CE1-CD2 3.72Å; F507-F534 HydrophobicContact CE1-CD2 3.72Å; F507-F534 HydrophobicContact CE1-CE1 4.1Å; F507-F534 AromaticContact CE1-CE2 3.53Å; F507-F534 HydrophobicContact CE1-CE2 3.53Å; F507-F534 HydrophobicContact CE1-CG 4.11Å; F507-F534 AromaticContact CE1-CZ 3.74Å; F507-F534 HydrophobicContact CE1-CZ 3.74Å; F507-F534 HydrophobicContact CZ-CD2 4.48Å; F507-F534 HydrophobicContact CZ-CE2 4.06Å; F507-F534 HydrophobicContact CZ-CZ 4.42Å; F507-D536 WeakPolarHBondContact O-CB 3.48Å
508H83.2Confident81Confident96 Ų9659.7 Ų59.744%0.44428%0.277SS..G310 helixtrans-80.2-8.3178.1-62.973.7000112.3L482 R504 W505 V506 K510L482-H508 HydrophobicContact CD1-CB 4.42Å; L482-H508 HydrophobicContact CD2-CB 3.99Å; R504-H508 PolarHBondContact O-CE1 2.79Å; R504-H508 PolarHBondContact O-ND1 2.96Å; W505-H508 WeakPolarHBondContact O-CB 3.5Å; W505-H508 PolarHBondContact O-N 3.2Å; V506-H508 PolarHBondContact O-N 2.99Å; H508-K510 PolarHBondContact O-N 3.38Å
509L84.1Confident81.6Confident1 Ų153 Ų531%0.00525%0.252CS..  trans-82.278.3-174.9-59.8172.3000112.4L485 L489 L492 W505 V506 F507 N511 L512 L537L485-L509 HydrophobicContact CB-CD2 3.87Å; L489-L509 HydrophobicContact CD2-CD1 3.91Å; L492-L509 HydrophobicContact CD2-CD1 4.17Å; W505-L509 HydrophobicContact CE3-CD1 4.21Å; W505-L509 HydrophobicContact CZ3-CD1 3.94Å; V506-L509 WeakPolarHBondContact O-CB 3.21Å; V506-L509 WeakPolarHBondContact O-CG 3.48Å; V506-L509 PolarHBondContact O-N 2.94Å; F507-L509 PolarHBondContact O-N 3.02Å; L509-N511 PolarHBondContact O-N 3.24Å; L509-N511 VanDerWaalsContact O-N 3.16Å; L509-L512 HydrophobicContact CB-CB 4.26Å; L509-L512 WeakPolarHBondContact O-CB 3.3Å; L509-L512 PolarHBondContact O-N 3.44Å; L509-L537 WeakPolarHBondContact O-CD2 3.5Å
510K83.1Confident81.8Confident107 Ų10746.5 Ų46.547%0.46522%0.22SC..THydrogen-bonded Turntrans-62.4-25.2-174.3-58.7-168.3-169.697.60115E486 H508 N539E486-K510 WeakPolarHBondContact OE1-CD 3.37Å; E486-K510 WeakPolarHBondContact OE1-CG 3.48Å; E486-K510 IonicContact OE1-NZ 3.82Å; E486-K510 PolarHBondContact OE1-NZ 3.5Å; H508-K510 PolarHBondContact O-N 3.38Å; K510-N539 WeakPolarHBondContact O-CB 3.44Å; K510-N539 PolarHBondContact O-ND2 3.41Å
511N86.5Confident81.8Confident76 Ų7648.1 Ų48.141%0.40623%0.226SC..THydrogen-bonded Turntrans-92.92.8-175.9-119.96000114.1E486 E487 L509 K513 N539E486-N511 VanDerWaalsContact O-CB 3.28Å; E486-N511 WeakPolarHBondContact O-CB 3.41Å; E487-N511 PolarHBondContact O-ND2 3.04Å; E487-N511 VanDerWaalsContact O-ND2 3.14Å; L509-N511 PolarHBondContact O-N 3.24Å; L509-N511 VanDerWaalsContact O-N 3.16Å; N511-K513 PolarHBondContact O-N 3.38Å; N511-N539 PolarHBondContact OD1-ND2 3.41Å
512L89.1Confident81.5Confident0 Ų041.2 Ų41.20%020%0.197CC..  trans-64.8130.1-179.3-164.375.1000111.1L489 L492 L509 L515 N539 L540L489-L512 HydrophobicContact CD2-CD1 4.32Å; L489-L512 HydrophobicContact CG-CD1 4.39Å; L492-L512 HydrophobicContact CB-CD1 3.74Å; L492-L512 HydrophobicContact CB-CD2 4.26Å; L509-L512 HydrophobicContact CB-CB 4.26Å; L509-L512 WeakPolarHBondContact O-CB 3.3Å; L509-L512 PolarHBondContact O-N 3.44Å; L512-L515 HydrophobicContact CD2-CB 3.95Å; L512-L515 HydrophobicContact CD2-CD1 3.98Å; L512-L515 HydrophobicContact CD2-CG 4.38Å; L512-N539 CarbonylContact O-C 3.11Å; L512-N539 VanDerWaalsContact O-C 3.29Å; L512-L540 HydrophobicContact CD2-CD1 4.2Å; L512-L540 HydrophobicContact CG-CD1 4.38Å; L512-L540 WeakPolarHBondContact O-CA 3.2Å; L512-L540 PolarHBondContact O-N 2.93Å
513K90.6Very high80.6Confident82 Ų8243.3 Ų43.336%0.35721%0.212SC..  trans-104.2-38180-63.9-174.3-178.9-1760112.6K490 N511 R541 T542K490-K513 PolarHBondContact O-N 3.46Å; N511-K513 PolarHBondContact O-N 3.38Å; K513-R541 PolarHBondContact O-N 3.47Å; K513-T542 PolarHBondContact O-N 3.48Å; K513-T542 VanDerWaalsContact O-N 3.07Å
514E92.8Very high79Confident55 Ų5548.5 Ų48.526%0.25723%0.234SC..EExtended strand (participates in β ladder)trans-129.1130.5-178.8-51.3-175.3-169.100110.8K490 I491 L492 Y516 T542K490-E514 PolarHBondContact O-N 3.06Å; I491-E514 WeakPolarHBondContact CA-O 3.41Å; I491-E514 HydrophobicContact CG1-CB 4.15Å; I491-E514 HydrophobicContact CG1-CG 4.24Å; I491-E514 HydrophobicContact CG2-CB 4.23Å; L492-E514 PolarHBondContact N-O 3.33Å; E514-Y516 HydrophobicContact CB-CD2 4.48Å; E514-Y516 HydrophobicContact CB-CE2 3.75Å; E514-Y516 WeakPolarHBondContact OE2-CE2 3.35Å; E514-Y516 PolarHBondContact OE2-OH 3.46Å; E514-T542 WeakPolarHBondContact CA-O 3.44Å
515L91.4Very high77.1Confident2 Ų247.7 Ų47.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-126.2122.1177.8-178.961.9000109.6L492 V506 L512 L517 F534 L540 T542 L543 Y544L492-L515 HydrophobicContact CB-CD1 4.09Å; L492-L515 HydrophobicContact CD2-CD1 3.93Å; L492-L515 HydrophobicContact CG-CD1 4.19Å; V506-L515 HydrophobicContact CG1-CD1 4.32Å; L512-L515 HydrophobicContact CD2-CB 3.95Å; L512-L515 HydrophobicContact CD2-CD1 3.98Å; L512-L515 HydrophobicContact CD2-CG 4.38Å; L515-L517 HydrophobicContact CD1-CD2 3.88Å; L515-L517 HydrophobicContact CD1-CG 4.27Å; L515-L517 HydrophobicContact CD2-CD1 4.11Å; L515-L517 HydrophobicContact CD2-CG 4.29Å; L515-L517 HydrophobicContact CG-CD1 4.37Å; L515-L517 HydrophobicContact CG-CD2 4.17Å; L515-L517 HydrophobicContact CG-CG 4Å; L515-F534 HydrophobicContact CD2-CE1 4.28Å; L515-L540 HydrophobicContact CB-CD1 3.73Å; L515-T542 PolarHBondContact N-O 3.26Å; L515-L543 HydrophobicContact CB-CD1 4.03Å; L515-L543 HydrophobicContact CD2-CD1 3.93Å; L515-L543 HydrophobicContact CG-CD1 4.09Å; L515-L543 WeakPolarHBondContact O-CA 3.37Å; L515-Y544 PolarHBondContact O-N 3.42Å
516Y91.5Very high75.3Confident46 Ų4654 Ų5418%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-114.7119.9174.8-56.8-104.5000108.7I491 L492 R493 L494 E514 Y544I491-Y516 HydrophobicContact CG2-CD2 4.28Å; I491-Y516 HydrophobicContact CG2-CE2 3.95Å; L492-Y516 PolarHBondContact O-N 3.37Å; R493-Y516 WeakPolarHBondContact CA-O 3.41Å; R493-Y516 HydrophobicContact CG-CD2 3.71Å; R493-Y516 HydrophobicContact CG-CE2 4.47Å; R493-Y516 HydrophobicContact CG-CG 4.03Å; R493-Y516 PolarHBondContact NH2-OH 2.94Å; L494-Y516 PolarHBondContact N-O 3.29Å; E514-Y516 HydrophobicContact CB-CD2 4.48Å; E514-Y516 HydrophobicContact CB-CE2 3.75Å; E514-Y516 WeakPolarHBondContact OE2-CE2 3.35Å; E514-Y516 PolarHBondContact OE2-OH 3.46Å; Y516-Y544 AromaticContact CD1-CD1 3.91Å; Y516-Y544 HydrophobicContact CD1-CD1 3.91Å; Y516-Y544 HydrophobicContact CD1-CD2 4.47Å; Y516-Y544 AromaticContact CD1-CG 3.67Å; Y516-Y544 HydrophobicContact CD1-CG 3.67Å; Y516-Y544 HydrophobicContact CE1-CG 4.35Å
517L88.8Confident72.9Confident2 Ų257.8 Ų57.81%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-120.1128.4177.6-58.3176.8000109L494 I502 L515 Y544 L545 K546L494-L517 HydrophobicContact CB-CD2 3.99Å; L494-L517 HydrophobicContact CD1-CD2 3.84Å; L494-L517 HydrophobicContact CG-CD2 4.24Å; L494-L517 CarbonylContact O-C 3.4Å; L494-L517 WeakPolarHBondContact O-CA 3.36Å; I502-L517 HydrophobicContact CD1-CD1 3.75Å; I502-L517 HydrophobicContact CG1-CD1 4.5Å; L515-L517 HydrophobicContact CD1-CD2 3.88Å; L515-L517 HydrophobicContact CD1-CG 4.27Å; L515-L517 HydrophobicContact CD2-CD1 4.11Å; L515-L517 HydrophobicContact CD2-CG 4.29Å; L515-L517 HydrophobicContact CG-CD1 4.37Å; L515-L517 HydrophobicContact CG-CD2 4.17Å; L515-L517 HydrophobicContact CG-CG 4Å; L517-Y544 PolarHBondContact N-O 3.46Å; L517-L545 HydrophobicContact CB-CD2 3.9Å; L517-L545 HydrophobicContact CD1-CD2 3.7Å; L517-L545 HydrophobicContact CG-CD2 4.17Å; L517-L545 CarbonylContact O-C 3.58Å; L517-L545 WeakPolarHBondContact O-CA 3.43Å; L517-K546 PolarHBondContact O-N 3.18Å
518S86.5Confident70.8Confident21 Ų2161.9 Ų61.915%0.14733%0.326CS..EExtended strand (participates in β ladder)trans-132.7132.9175.6177.10000110.5L494 K495 F496 K546L494-S518 PolarHBondContact O-N 2.67Å; K495-S518 CarbonylContact C-O 3.48Å; K495-S518 WeakPolarHBondContact CA-O 3.14Å; F496-S518 PolarHBondContact N-O 3.42Å; S518-K546 CarbonylContact C-O 3.5Å; S518-K546 VanDerWaalsContact CA-O 3.27Å; S518-K546 WeakPolarHBondContact CA-O 3.43Å
519G73.7Confident68.7Low22 Ų2265.6 Ų65.623%0.22735%0.346CS..EExtended strand (participates in β ladder)trans75.717.6179.900000114.8K546G519-K546 PolarHBondContact N-O 2.98Å
520C65.9Low66.9Low3 Ų369 Ų692%0.0236%0.362CS..EExtended strand (participates in β ladder)trans-89.9137.2177.7-64.40000111.6F496 I502 S547F496-C520 WeakPolarHBondContact CD2-SG 3.37Å; F496-C520 WeakPolarHBondContact CE2-SG 3.05Å; I502-C520 HydrophobicContact CG1-CB 4.34Å; C520-S547 WeakPolarHBondContact O-CB 3.48Å; C520-S547 PolarHBondContact O-OG 3.42Å
521V60.2Low65.3Low54 Ų5465.9 Ų65.933%0.32735%0.35SS..  trans-87.4115.8163-178.20000109.1M499 P523M499-V521 HydrophobicContact CB-CG2 3.57Å; M499-V521 HydrophobicContact CE-CG2 3.45Å; M499-V521 VanDerWaalsContact CE-CG2 3.45Å; M499-V521 HydrophobicContact CG-CG2 3.82Å; M499-V521 HydrophobicContact SD-CG2 3.05Å; M499-V521 WeakPolarHBondContact SD-CG2 3.32Å; V521-P523 WeakPolarHBondContact O-CD 3.42Å
522L59.4Low63.6Low15 Ų1568.7 Ų68.78%0.07936%0.36CS..  trans-77.3115.9159.9-79143.3000106.7E524 L545 L549 P553L522-E524 PolarHBondContact O-N 2.95Å; L522-L545 HydrophobicContact CD1-CD1 4.36Å; L522-L549 HydrophobicContact CB-CD2 4.1Å; L522-L549 HydrophobicContact CD1-CD1 4.3Å; L522-L549 HydrophobicContact CD1-CD2 3.82Å; L522-P553 HydrophobicContact CB-CG 4.06Å; L522-P553 HydrophobicContact CD1-CG 3.79Å; L522-P553 HydrophobicContact CD2-CG 4.01Å; L522-P553 HydrophobicContact CG-CG 4.15Å
523P54.1Low62.2Low69 Ų6969.2 Ų69.245%0.44837%0.366SS..  trans-59.4116.6-177.4-20.731.2000110.2V521 Q525V521-P523 WeakPolarHBondContact O-CD 3.42Å; P523-Q525 PolarHBondContact O-N 2.95Å
524E47.7Very low61.1Low138 Ų13865.6 Ų65.665%0.64535%0.35SS*.SBendtrans-68.8-16.2177.8-72.8-177.9157.400112.8L522 S550L522-E524 PolarHBondContact O-N 2.95Å; E524-S550 WeakPolarHBondContact OE1-CB 3.1Å; E524-S550 PolarHBondContact OE1-N 3.17Å; E524-S550 PolarHBondContact OE1-OG 3.49Å
525Q39.6Very low59.8Low170 Ų17067.8 Ų67.879%0.79436%0.36SS*.SBendtrans-108.5113.5177.7-74-177.4-22.900111.3P523 S527P523-Q525 PolarHBondContact O-N 2.95Å; Q525-S527 PolarHBondContact O-N 3.4Å
526L46.6Very low58.8Low155 Ų15571.2 Ų71.281%0.81238%0.378SS*.  trans-32.9111.8170-74124.1000113.5
527S34.8Very low58.1Low79 Ų7969 Ų6955%0.55237%0.37SS*.  trans-130.2109.1143.1-56.90000106.7Q525 M529 Q530Q525-S527 PolarHBondContact O-N 3.4Å; S527-M529 PolarHBondContact O-N 2.82Å; S527-Q530 PolarHBondContact O-N 3.04Å
528T38.3Very low57.5Low107 Ų10776.4 Ų76.466%0.65640%0.402SS*.THydrogen-bonded Turntrans-50.1-14.3-177.741.70000115
529M37.8Very low57.3Low174 Ų17479.2 Ų79.286%0.85742%0.415SS*.THydrogen-bonded Turntrans-83.6-13.7-175.3-67.8-149.317200116.7S527S527-M529 PolarHBondContact O-N 2.82Å
530Q45.7Very low58Low73 Ų7378.1 Ų78.134%0.34140%0.404SS..SBendtrans-99-14.3176.2-77.3-174.6-55.200113.8S527S527-Q530 PolarHBondContact O-N 3.04Å
531L49.8Very low59.1Low41 Ų4183.8 Ų83.822%0.21543%0.425CS..SBendtrans-110.91.4-164.7-77.3151.7000114.5G533 F534 V555L531-G533 PolarHBondContact O-N 2.94Å; L531-F534 HydrophobicContact CD2-CD2 4.18Å; L531-F534 HydrophobicContact CD2-CE2 4.32Å; L531-V555 HydrophobicContact CB-CG2 4.09Å; L531-V555 HydrophobicContact CD1-CG2 4.36Å; L531-V555 HydrophobicContact CD2-CB 3.98Å; L531-V555 HydrophobicContact CD2-CG1 3.78Å; L531-V555 HydrophobicContact CD2-CG2 3.9Å; L531-V555 HydrophobicContact CG-CG2 4.32Å
532E52Low60.6Low135 Ų13582.4 Ų82.463%0.63142%0.417SS*.G310 helixtrans-61.1-26.6163.6-70.8-178.1169.200111.3F534 Q535E532-F534 PolarHBondContact O-N 3.2Å; E532-Q535 VanDerWaalsContact O-CB 3.32Å; E532-Q535 WeakPolarHBondContact O-CB 3.28Å; E532-Q535 WeakPolarHBondContact O-CG 3.41Å; E532-Q535 PolarHBondContact O-N 3.23Å; E532-Q535 VanDerWaalsContact O-N 3.14Å
533G58.5Low62.1Low11 Ų1181.7 Ų81.711%0.11341%0.413CS..G310 helixtrans-66.9-25.3-17200000116.9F507 L531 Q535 D536F507-G533 WeakPolarHBondContact CB-O 3.43Å; F507-G533 VanDerWaalsContact CD1-C 3.47Å; L531-G533 PolarHBondContact O-N 2.94Å; G533-Q535 VanDerWaalsContact C-N 3.26Å; G533-Q535 PolarHBondContact O-N 3.26Å; G533-D536 PolarHBondContact O-N 3.46Å
534F67.8Low63.9Low5 Ų581 Ų812%0.02240%0.402CS..G310 helixtrans-73.5-18.9175.9-79-78.9000112.7I502 F507 L515 L531 E532 D536 L537 V555 L560I502-F534 HydrophobicContact CD1-CZ 4.49Å; F507-F534 HydrophobicContact CD1-CD2 4.42Å; F507-F534 HydrophobicContact CD1-CG 4.45Å; F507-F534 HydrophobicContact CE1-CD1 4.28Å; F507-F534 AromaticContact CE1-CD2 3.72Å; F507-F534 HydrophobicContact CE1-CD2 3.72Å; F507-F534 HydrophobicContact CE1-CE1 4.1Å; F507-F534 AromaticContact CE1-CE2 3.53Å; F507-F534 HydrophobicContact CE1-CE2 3.53Å; F507-F534 HydrophobicContact CE1-CG 4.11Å; F507-F534 AromaticContact CE1-CZ 3.74Å; F507-F534 HydrophobicContact CE1-CZ 3.74Å; F507-F534 HydrophobicContact CZ-CD2 4.48Å; F507-F534 HydrophobicContact CZ-CE2 4.06Å; F507-F534 HydrophobicContact CZ-CZ 4.42Å; L515-F534 HydrophobicContact CD2-CE1 4.28Å; L531-F534 HydrophobicContact CD2-CD2 4.18Å; L531-F534 HydrophobicContact CD2-CE2 4.32Å; E532-F534 PolarHBondContact O-N 3.2Å; F534-D536 PolarHBondContact O-N 3.47Å; F534-L537 HydrophobicContact CD1-CD1 3.99Å; F534-L537 HydrophobicContact CE1-CD1 4.42Å; F534-L537 PolarHBondContact O-N 2.85Å; F534-V555 HydrophobicContact CB-CG1 3.95Å; F534-V555 HydrophobicContact CD2-CG1 3.91Å; F534-V555 HydrophobicContact CG-CG1 4.23Å; F534-L560 HydrophobicContact CD1-CD1 4.23Å
535Q65.9Low65.9Low101 Ų10174.9 Ų74.947%0.47237%0.373SS..G310 helixtrans-65.5-27.2176.9-60-172.41.800112.3E532 G533 L537 L559E532-Q535 VanDerWaalsContact O-CB 3.32Å; E532-Q535 WeakPolarHBondContact O-CB 3.28Å; E532-Q535 WeakPolarHBondContact O-CG 3.41Å; E532-Q535 PolarHBondContact O-N 3.23Å; E532-Q535 VanDerWaalsContact O-N 3.14Å; G533-Q535 VanDerWaalsContact C-N 3.26Å; G533-Q535 PolarHBondContact O-N 3.26Å; Q535-L537 VanDerWaalsContact C-N 3.34Å; Q535-L559 HydrophobicContact CG-CB 4.32Å; Q535-L559 HydrophobicContact CG-CD1 3.53Å; Q535-L559 HydrophobicContact CG-CD2 3.94Å; Q535-L559 HydrophobicContact CG-CG 4.12Å
536D71Confident68.2Low74 Ų7469.6 Ų69.640%0.39635%0.348SS..G310 helixtrans-79.4-18.2-177.1-66.2-35.8000112.7F507 G533 F534 K538F507-D536 WeakPolarHBondContact O-CB 3.48Å; G533-D536 PolarHBondContact O-N 3.46Å; F534-D536 PolarHBondContact O-N 3.47Å; D536-K538 VanDerWaalsContact C-N 3.26Å; D536-K538 PolarHBondContact O-N 3.05Å
537L76.4Confident69.9Low0 Ų062.6 Ų62.60%031%0.312CS..  trans-84.854.8-178-60.4-180000112.8L509 F534 Q535 N539 L540L509-L537 WeakPolarHBondContact O-CD2 3.5Å; F534-L537 HydrophobicContact CD1-CD1 3.99Å; F534-L537 HydrophobicContact CE1-CD1 4.42Å; F534-L537 PolarHBondContact O-N 2.85Å; Q535-L537 VanDerWaalsContact C-N 3.34Å; L537-N539 VanDerWaalsContact C-N 3.25Å; L537-N539 PolarHBondContact O-N 2.87Å; L537-L540 HydrophobicContact CB-CB 4.38Å; L537-L540 WeakPolarHBondContact O-CB 3.44Å; L537-L540 PolarHBondContact O-N 3.42Å
538K75.9Confident72.1Confident157 Ų15761.9 Ų61.968%0.68331%0.307SS*.THydrogen-bonded Turntrans-63.3-28.5-173.6-63.8-178.7-178.7176.90114.1D536 S562D536-K538 VanDerWaalsContact C-N 3.26Å; D536-K538 PolarHBondContact O-N 3.05Å; K538-S562 PolarHBondContact O-OG 3Å
539N83Confident73.9Confident80 Ų8057.2 Ų57.243%0.42828%0.278SS..THydrogen-bonded Turntrans-89.10.9-175.9-70-36.9000114.4K510 N511 L512 L537 R541K510-N539 WeakPolarHBondContact O-CB 3.44Å; K510-N539 PolarHBondContact O-ND2 3.41Å; N511-N539 PolarHBondContact OD1-ND2 3.41Å; L512-N539 CarbonylContact O-C 3.11Å; L512-N539 VanDerWaalsContact O-C 3.29Å; L537-N539 VanDerWaalsContact C-N 3.25Å; L537-N539 PolarHBondContact O-N 2.87Å; N539-R541 PolarHBondContact O-N 2.95Å
540L86.8Confident75.8Confident0 Ų051 Ų510%025%0.251CS..  trans-66.7125-177.9-166.174.1000110.6L512 L515 L537 L543 L560 L563L512-L540 HydrophobicContact CD2-CD1 4.2Å; L512-L540 HydrophobicContact CG-CD1 4.38Å; L512-L540 WeakPolarHBondContact O-CA 3.2Å; L512-L540 PolarHBondContact O-N 2.93Å; L515-L540 HydrophobicContact CB-CD1 3.73Å; L537-L540 HydrophobicContact CB-CB 4.38Å; L537-L540 WeakPolarHBondContact O-CB 3.44Å; L537-L540 PolarHBondContact O-N 3.42Å; L540-L543 HydrophobicContact CD2-CB 4.36Å; L540-L543 HydrophobicContact CD2-CD1 4.4Å; L540-L560 HydrophobicContact CB-CD2 4.35Å; L540-L560 HydrophobicContact CD2-CD1 4.23Å; L540-L560 HydrophobicContact CD2-CD2 4.15Å; L540-L563 HydrophobicContact CD2-CD1 4Å; L540-L563 HydrophobicContact CG-CD1 4.09Å
541R90.2Very high77.2Confident122 Ų12255 Ų5546%0.4626%0.264SS..  trans-109.7-36.2179.7-61.3-174.9-176.7-168.7-2.8112.1K513 N539 Q564 K565K513-R541 PolarHBondContact O-N 3.47Å; N539-R541 PolarHBondContact O-N 2.95Å; R541-Q564 PolarHBondContact O-N 3.28Å; R541-K565 PolarHBondContact O-N 3.45Å
542T92.1Very high78.5Confident25 Ų2553.5 Ų53.515%0.15326%0.256CS..EExtended strand (participates in β ladder)trans-124.4127.8-176.2-53.50000109.9K513 E514 L515 K565K513-T542 PolarHBondContact O-N 3.48Å; K513-T542 VanDerWaalsContact O-N 3.07Å; E514-T542 WeakPolarHBondContact CA-O 3.44Å; L515-T542 PolarHBondContact N-O 3.26Å; T542-K565 WeakPolarHBondContact CA-O 3.32Å; T542-K565 HydrophobicContact CG2-CB 4.03Å; T542-K565 HydrophobicContact CG2-CD 4.19Å; T542-K565 HydrophobicContact CG2-CG 4.08Å
543L91.1Very high79.5Confident0 Ų048.4 Ų48.40%023%0.234CC..EExtended strand (participates in β ladder)trans-125.5121.9173.6-179.163.6000109.2L515 L540 L545 V556 L560 L563 K565 L566 S567L515-L543 HydrophobicContact CB-CD1 4.03Å; L515-L543 HydrophobicContact CD2-CD1 3.93Å; L515-L543 HydrophobicContact CG-CD1 4.09Å; L515-L543 WeakPolarHBondContact O-CA 3.37Å; L540-L543 HydrophobicContact CD2-CB 4.36Å; L540-L543 HydrophobicContact CD2-CD1 4.4Å; L543-L545 HydrophobicContact CD1-CD2 3.95Å; L543-L545 HydrophobicContact CD1-CG 4.27Å; L543-L545 HydrophobicContact CD2-CD1 4.01Å; L543-L545 HydrophobicContact CD2-CG 4.24Å; L543-L545 HydrophobicContact CG-CD1 4.3Å; L543-L545 HydrophobicContact CG-CD2 4.21Å; L543-L545 HydrophobicContact CG-CG 3.98Å; L543-V556 HydrophobicContact CD2-CG1 3.69Å; L543-V556 HydrophobicContact CD2-CG2 4.31Å; L543-L560 HydrophobicContact CD2-CD1 4.46Å; L543-L563 HydrophobicContact CB-CD1 3.83Å; L543-L563 HydrophobicContact CB-CD2 4.02Å; L543-K565 PolarHBondContact N-O 2.97Å; L543-L566 HydrophobicContact CB-CD1 4.25Å; L543-L566 HydrophobicContact CD2-CD1 4.11Å; L543-L566 HydrophobicContact CG-CD1 4.33Å; L543-S567 PolarHBondContact O-N 2.83Å
544Y91.2Very high80.2Confident55 Ų5553.7 Ų53.722%0.21626%0.256CS..EExtended strand (participates in β ladder)trans-113.2124.3172.7178-89.4000109L515 Y516 L517 K546 S567 D569L515-Y544 PolarHBondContact O-N 3.42Å; Y516-Y544 AromaticContact CD1-CD1 3.91Å; Y516-Y544 HydrophobicContact CD1-CD1 3.91Å; Y516-Y544 HydrophobicContact CD1-CD2 4.47Å; Y516-Y544 AromaticContact CD1-CG 3.67Å; Y516-Y544 HydrophobicContact CD1-CG 3.67Å; Y516-Y544 HydrophobicContact CE1-CG 4.35Å; L517-Y544 PolarHBondContact N-O 3.46Å; Y544-K546 HydrophobicContact CE1-CB 3.65Å; Y544-S567 CarbonylContact C-O 3.14Å; Y544-S567 WeakPolarHBondContact CA-O 3.35Å; Y544-S567 WeakPolarHBondContact CD2-OG 3.27Å; Y544-S567 WeakPolarHBondContact CE2-OG 3.3Å; Y544-D569 PolarHBondContact OH-OD2 2.89Å
545L88.6Confident80.4Confident8 Ų854.8 Ų54.84%0.04226%0.263CS..EExtended strand (participates in β ladder)trans-125114.6178.8-60.3173.6000108.7L517 L522 L543 S567 L568 D569L517-L545 HydrophobicContact CB-CD2 3.9Å; L517-L545 HydrophobicContact CD1-CD2 3.7Å; L517-L545 HydrophobicContact CG-CD2 4.17Å; L517-L545 CarbonylContact O-C 3.58Å; L517-L545 WeakPolarHBondContact O-CA 3.43Å; L522-L545 HydrophobicContact CD1-CD1 4.36Å; L543-L545 HydrophobicContact CD1-CD2 3.95Å; L543-L545 HydrophobicContact CD1-CG 4.27Å; L543-L545 HydrophobicContact CD2-CD1 4.01Å; L543-L545 HydrophobicContact CD2-CG 4.24Å; L543-L545 HydrophobicContact CG-CD1 4.3Å; L543-L545 HydrophobicContact CG-CD2 4.21Å; L543-L545 HydrophobicContact CG-CG 3.98Å; L545-S567 PolarHBondContact N-O 2.63Å; L545-L568 HydrophobicContact CB-CD2 3.7Å; L545-L568 HydrophobicContact CD1-CD2 3.58Å; L545-L568 HydrophobicContact CG-CD2 4.02Å; L545-L568 CarbonylContact O-C 3.51Å; L545-L568 WeakPolarHBondContact O-CA 3.25Å; L545-D569 PolarHBondContact O-N 3.19Å
546K87.8Confident80.8Confident59 Ų5950.1 Ų50.126%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-109.8101.1169.1-179.7172.4-177.2118.80109.5L517 S518 G519 Y544 D569 E571L517-K546 PolarHBondContact O-N 3.18Å; S518-K546 CarbonylContact C-O 3.5Å; S518-K546 VanDerWaalsContact CA-O 3.27Å; S518-K546 WeakPolarHBondContact CA-O 3.43Å; G519-K546 PolarHBondContact N-O 2.98Å; Y544-K546 HydrophobicContact CE1-CB 3.65Å; K546-D569 VanDerWaalsContact CA-O 3.29Å; K546-D569 WeakPolarHBondContact CA-O 3.33Å; K546-D569 HydrophobicContact CB-CB 4.13Å; K546-D569 WeakPolarHBondContact CD-OD2 3.39Å; K546-D569 WeakPolarHBondContact CE-OD2 3.32Å; K546-D569 HydrophobicContact CG-CB 4.08Å; K546-D569 IonicContact NZ-OD2 3.77Å; K546-D569 PolarHBondContact NZ-OD2 3.44Å; K546-E571 WeakPolarHBondContact CE-OE1 3.28Å; K546-E571 HydrophobicContact CG-CG 4.16Å
547S82.6Confident80.9Confident9 Ų946.7 Ų46.76%0.06322%0.223CC..SBendtrans-163157.2-174.7-1780000110C520 L549 D569 N570C520-S547 WeakPolarHBondContact O-CB 3.48Å; C520-S547 PolarHBondContact O-OG 3.42Å; S547-L549 PolarHBondContact O-N 3.05Å; S547-L549 VanDerWaalsContact O-N 3.13Å; S547-D569 PolarHBondContact N-O 2.9Å; S547-D569 VanDerWaalsContact N-O 3.07Å; S547-N570 WeakPolarHBondContact O-CA 3.46Å; S547-N570 PolarHBondContact O-OD1 3.34Å
548S81.4Confident80.6Confident64 Ų6450.1 Ų50.145%0.44824%0.241SC..  trans-80.883.3172.162.70000110.9S573S548-S573 WeakPolarHBondContact CA-OG 3.13Å
549L75.9Confident80.2Confident9 Ų945.3 Ų45.35%0.04722%0.223CC..  trans-95.7130-179.7-57.9174.6000111L522 S547 N570 L575L522-L549 HydrophobicContact CB-CD2 4.1Å; L522-L549 HydrophobicContact CD1-CD1 4.3Å; L522-L549 HydrophobicContact CD1-CD2 3.82Å; S547-L549 PolarHBondContact O-N 3.05Å; S547-L549 VanDerWaalsContact O-N 3.13Å; L549-N570 WeakPolarHBondContact CA-OD1 3.19Å; L549-N570 WeakPolarHBondContact CB-OD1 3.38Å; L549-N570 PolarHBondContact N-OD1 3.13Å; L549-N570 PolarHBondContact O-ND2 3.4Å; L549-N570 PolarHBondContact O-OD1 3.23Å; L549-L575 HydrophobicContact CB-CD1 4.31Å
550S77.9Confident79.6Confident42 Ų4241.6 Ų41.629%0.29420%0.203SC..SBendtrans-78.9-27.916975.70000112.5E524 V576E524-S550 WeakPolarHBondContact OE1-CB 3.1Å; E524-S550 PolarHBondContact OE1-N 3.17Å; E524-S550 PolarHBondContact OE1-OG 3.49Å; S550-V576 PolarHBondContact O-N 2.96Å
551R76.1Confident78.8Confident159 Ų15945.1 Ų45.160%0.623%0.226SC*.SBendtrans-145.5150.5-179.2-55.5-171.9178.6166.10.4110.6P553 V576R551-P553 WeakPolarHBondContact O-CD 3.32Å; R551-V576 WeakPolarHBondContact CG-O 3.49Å
552I76.1Confident78.2Confident9 Ų941.4 Ų41.45%0.04622%0.219CC..  trans-68.6125168.5-56-175.7000108.5Q554 T557 L568 L575 L578 L581I552-Q554 PolarHBondContact O-N 3.4Å; I552-T557 HydrophobicContact CG2-CG2 3.92Å; I552-L568 HydrophobicContact CD1-CD1 3.49Å; I552-L568 VanDerWaalsContact CD1-CD1 3.49Å; I552-L568 HydrophobicContact CG1-CD1 3.72Å; I552-L575 HydrophobicContact CD1-CD2 4.4Å; I552-L575 HydrophobicContact CG1-CD1 4.28Å; I552-L575 HydrophobicContact CG1-CD2 4.1Å; I552-L578 HydrophobicContact CD1-CD2 3.35Å; I552-L578 HydrophobicContact CG1-CD2 4.03Å; I552-L581 HydrophobicContact CD1-CD1 4.35Å; I552-L581 HydrophobicContact CD1-CD2 3.71Å; I552-L581 HydrophobicContact CD1-CG 4.05Å
553P73.5Confident77.9Confident27 Ų2740.3 Ų40.318%0.17521%0.212CC..  trans-58.9129.7178.3-19.928.7000111.3L522 R551 V555 V556L522-P553 HydrophobicContact CB-CG 4.06Å; L522-P553 HydrophobicContact CD1-CG 3.79Å; L522-P553 HydrophobicContact CD2-CG 4.01Å; L522-P553 HydrophobicContact CG-CG 4.15Å; R551-P553 WeakPolarHBondContact O-CD 3.32Å; P553-V555 PolarHBondContact O-N 2.83Å; P553-V555 VanDerWaalsContact O-N 3.08Å; P553-V556 HydrophobicContact CB-CG2 4.23Å; P553-V556 HydrophobicContact CG-CG2 4.35Å; P553-V556 PolarHBondContact O-N 3.42Å
554Q73.8Confident77.9Confident122 Ų12243.8 Ų43.857%0.5723%0.228SC*.Hα-helixtrans-56.3-29.1178.2-72.3180-17.200112.5I552 V556 T557 D558I552-Q554 PolarHBondContact O-N 3.4Å; Q554-V556 VanDerWaalsContact C-N 3.32Å; Q554-V556 PolarHBondContact O-N 3.37Å; Q554-T557 WeakPolarHBondContact CA-OG1 3.32Å; Q554-T557 PolarHBondContact O-N 3.16Å; Q554-T557 PolarHBondContact O-OG1 3.09Å; Q554-D558 WeakPolarHBondContact O-CB 3.39Å; Q554-D558 PolarHBondContact O-N 3.34Å
555V70Confident78Confident29 Ų2944 Ų4418%0.17623%0.23CC..Hα-helixtrans-62-38.7176.9167.60000112L531 F534 P553 T557 L559L531-V555 HydrophobicContact CB-CG2 4.09Å; L531-V555 HydrophobicContact CD1-CG2 4.36Å; L531-V555 HydrophobicContact CD2-CB 3.98Å; L531-V555 HydrophobicContact CD2-CG1 3.78Å; L531-V555 HydrophobicContact CD2-CG2 3.9Å; L531-V555 HydrophobicContact CG-CG2 4.32Å; F534-V555 HydrophobicContact CB-CG1 3.95Å; F534-V555 HydrophobicContact CD2-CG1 3.91Å; F534-V555 HydrophobicContact CG-CG1 4.23Å; P553-V555 PolarHBondContact O-N 2.83Å; P553-V555 VanDerWaalsContact O-N 3.08Å; V555-T557 VanDerWaalsContact C-N 3.34Å; V555-L559 HydrophobicContact CB-CD1 4.29Å; V555-L559 HydrophobicContact CG1-CD1 3.62Å; V555-L559 HydrophobicContact CG1-CG 4.4Å; V555-L559 HydrophobicContact CG2-CD1 4.34Å; V555-L559 VanDerWaalsContact O-CB 3.27Å; V555-L559 WeakPolarHBondContact O-CB 3.45Å; V555-L559 PolarHBondContact O-N 3.16Å
556V74.9Confident78.1Confident2 Ų243.6 Ų43.61%0.01223%0.228CC..Hα-helixtrans-67.5-39.2177177.70000110.4L543 P553 Q554 L560L543-V556 HydrophobicContact CD2-CG1 3.69Å; L543-V556 HydrophobicContact CD2-CG2 4.31Å; P553-V556 HydrophobicContact CB-CG2 4.23Å; P553-V556 HydrophobicContact CG-CG2 4.35Å; P553-V556 PolarHBondContact O-N 3.42Å; Q554-V556 VanDerWaalsContact C-N 3.32Å; Q554-V556 PolarHBondContact O-N 3.37Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å
557T72.6Confident78.4Confident3 Ų340.9 Ų40.92%0.01822%0.217CC..Hα-helixtrans-78.5-29.7-178.257.40000113.7I552 Q554 V555 N580 M584I552-T557 HydrophobicContact CG2-CG2 3.92Å; Q554-T557 WeakPolarHBondContact CA-OG1 3.32Å; Q554-T557 PolarHBondContact O-N 3.16Å; Q554-T557 PolarHBondContact O-OG1 3.09Å; V555-T557 VanDerWaalsContact C-N 3.34Å; T557-N580 HydrophobicContact CG2-CB 3.72Å; T557-M584 HydrophobicContact CG2-SD 4.12Å
558D71.1Confident78.7Confident71 Ų7140.7 Ų40.738%0.3822%0.215SC..Hα-helixtrans-95.9-32.5-171.9-68.215.8000112.3Q554 K583Q554-D558 WeakPolarHBondContact O-CB 3.39Å; Q554-D558 PolarHBondContact O-N 3.34Å; D558-K583 WeakPolarHBondContact OD1-CD 3.33Å; D558-K583 WeakPolarHBondContact OD1-CE 3.42Å; D558-K583 IonicContact OD1-NZ 3.32Å; D558-K583 PolarHBondContact OD1-NZ 2.9Å; D558-K583 IonicContact OD2-NZ 2.81Å; D558-K583 PolarHBondContact OD2-NZ 2.69Å
559L67.2Low79.1Confident56 Ų5638.4 Ų38.429%0.29320%0.197SC..Hα-helixtrans-105.1-6.8-170.6-54.9176.7000114Q535 V555 P561Q535-L559 HydrophobicContact CG-CB 4.32Å; Q535-L559 HydrophobicContact CG-CD1 3.53Å; Q535-L559 HydrophobicContact CG-CD2 3.94Å; Q535-L559 HydrophobicContact CG-CG 4.12Å; V555-L559 HydrophobicContact CB-CD1 4.29Å; V555-L559 HydrophobicContact CG1-CD1 3.62Å; V555-L559 HydrophobicContact CG1-CG 4.4Å; V555-L559 HydrophobicContact CG2-CD1 4.34Å; V555-L559 VanDerWaalsContact O-CB 3.27Å; V555-L559 WeakPolarHBondContact O-CB 3.45Å; V555-L559 PolarHBondContact O-N 3.16Å; L559-P561 WeakPolarHBondContact O-CD 3.34Å
560L70.7Confident79.6Confident2 Ų238.1 Ų38.11%0.0120%0.196CC..  trans-122.863.1-179.3-64162.7000113F534 L540 L543 V556 S562 L563F534-L560 HydrophobicContact CD1-CD1 4.23Å; L540-L560 HydrophobicContact CB-CD2 4.35Å; L540-L560 HydrophobicContact CD2-CD1 4.23Å; L540-L560 HydrophobicContact CD2-CD2 4.15Å; L543-L560 HydrophobicContact CD2-CD1 4.46Å; V556-L560 HydrophobicContact CG1-CD1 4.33Å; L560-S562 PolarHBondContact O-N 2.86Å; L560-L563 PolarHBondContact O-N 3.07Å
561P70Confident79.9Confident75 Ų7541.5 Ų41.549%0.48721%0.207SC..THydrogen-bonded Turntrans-71.4-14.8177.630-35.2000113.6L559 L563 N586L559-P561 WeakPolarHBondContact O-CD 3.34Å; P561-L563 VanDerWaalsContact C-N 3.3Å; P561-N586 WeakPolarHBondContact O-CB 3.46Å; P561-N586 PolarHBondContact O-ND2 3.09Å
562S77.1Confident80.2Confident44 Ų4436.2 Ų36.231%0.30820%0.202SC..THydrogen-bonded Turntrans-81.4-4.5178.750.70000114.2K538 L560 Q564K538-S562 PolarHBondContact O-OG 3Å; L560-S562 PolarHBondContact O-N 2.86Å; S562-Q564 PolarHBondContact O-N 3.23Å
563L86.1Confident80.5Confident2 Ų237.4 Ų37.41%0.0121%0.211CC..  trans-66.1130.1-175.7-153.282.2000111.4L540 L543 L560 P561 K565 L566 M584 N586 L587L540-L563 HydrophobicContact CD2-CD1 4Å; L540-L563 HydrophobicContact CG-CD1 4.09Å; L543-L563 HydrophobicContact CB-CD1 3.83Å; L543-L563 HydrophobicContact CB-CD2 4.02Å; L560-L563 PolarHBondContact O-N 3.07Å; P561-L563 VanDerWaalsContact C-N 3.3Å; L563-K565 WeakPolarHBondContact CD2-O 3.44Å; L563-L566 HydrophobicContact CD2-CB 3.79Å; L563-L566 HydrophobicContact CD2-CD1 3.95Å; L563-L566 HydrophobicContact CD2-CG 4.41Å; L563-M584 HydrophobicContact CB-CE 3.95Å; L563-M584 HydrophobicContact CD2-CE 3.43Å; L563-M584 VanDerWaalsContact CD2-CE 3.43Å; L563-M584 HydrophobicContact CG-CE 4.33Å; L563-N586 CarbonylContact O-C 3.57Å; L563-L587 HydrophobicContact CD2-CD2 4.18Å
564Q91.1Very high81Confident72 Ų7241 Ų4134%0.33622%0.224SC..SBendtrans-102.4-32.1178.8-63.8-176.9-8.500111.9R541 S562 K588 S589R541-Q564 PolarHBondContact O-N 3.28Å; S562-Q564 PolarHBondContact O-N 3.23Å; Q564-K588 PolarHBondContact O-N 3.49Å; Q564-S589 PolarHBondContact O-N 2.72Å
565K93.1Very high81.4Confident60 Ų6035.7 Ų35.726%0.26120%0.2SC..EExtended strand (participates in β ladder)trans-131.6124.7178.5-179.2166.4-176.9161.10111.1R541 T542 L543 L563 S589 E591R541-K565 PolarHBondContact O-N 3.45Å; T542-K565 WeakPolarHBondContact CA-O 3.32Å; T542-K565 HydrophobicContact CG2-CB 4.03Å; T542-K565 HydrophobicContact CG2-CD 4.19Å; T542-K565 HydrophobicContact CG2-CG 4.08Å; L543-K565 PolarHBondContact N-O 2.97Å; L563-K565 WeakPolarHBondContact CD2-O 3.44Å; K565-S589 VanDerWaalsContact CA-O 3.3Å; K565-S589 WeakPolarHBondContact CA-O 3.22Å; K565-E591 WeakPolarHBondContact CE-OE1 3.5Å; K565-E591 IonicContact NZ-OE1 2.71Å; K565-E591 PolarHBondContact NZ-OE1 2.75Å
566L91.8Very high81.5Confident0 Ų037.8 Ų37.80%021%0.212CC..EExtended strand (participates in β ladder)trans-118.4124.7172.1-179.363.8000108.8L543 L563 L568 L581 M584 L587 S589 L590 E591L543-L566 HydrophobicContact CB-CD1 4.25Å; L543-L566 HydrophobicContact CD2-CD1 4.11Å; L543-L566 HydrophobicContact CG-CD1 4.33Å; L563-L566 HydrophobicContact CD2-CB 3.79Å; L563-L566 HydrophobicContact CD2-CD1 3.95Å; L563-L566 HydrophobicContact CD2-CG 4.41Å; L566-L568 HydrophobicContact CD1-CD2 3.98Å; L566-L568 HydrophobicContact CD1-CG 4.38Å; L566-L568 HydrophobicContact CD2-CD1 4.4Å; L566-L568 HydrophobicContact CD2-CG 4.47Å; L566-L568 HydrophobicContact CG-CD2 4.34Å; L566-L568 HydrophobicContact CG-CG 4.2Å; L566-L581 HydrophobicContact CD2-CD2 4.07Å; L566-M584 HydrophobicContact CD2-CE 4.15Å; L566-M584 HydrophobicContact CD2-SD 4.09Å; L566-L587 HydrophobicContact CB-CD2 3.82Å; L566-S589 PolarHBondContact N-O 2.87Å; L566-L590 HydrophobicContact CB-CD1 4.01Å; L566-L590 HydrophobicContact CD2-CD1 3.98Å; L566-L590 HydrophobicContact CG-CD1 4.2Å; L566-L590 WeakPolarHBondContact O-CA 3.48Å; L566-E591 PolarHBondContact O-N 2.7Å
567S92.4Very high81.1Confident2 Ų241 Ų411%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-125.7120.7175.4-177.90000109.6L543 Y544 L545 E591L543-S567 PolarHBondContact O-N 2.83Å; Y544-S567 CarbonylContact C-O 3.14Å; Y544-S567 WeakPolarHBondContact CA-O 3.35Å; Y544-S567 WeakPolarHBondContact CD2-OG 3.27Å; Y544-S567 WeakPolarHBondContact CE2-OG 3.3Å; L545-S567 PolarHBondContact N-O 2.63Å; S567-E591 WeakPolarHBondContact CA-O 3.32Å; S567-E591 WeakPolarHBondContact CB-OE2 3.38Å; S567-E591 PolarHBondContact OG-OE2 2.84Å
568L90.3Very high81.2Confident4 Ų441.5 Ų41.52%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-118.2120.3178.1-57.5-177.6000108.3L545 I552 L566 L575 E591 L592 I593L545-L568 HydrophobicContact CB-CD2 3.7Å; L545-L568 HydrophobicContact CD1-CD2 3.58Å; L545-L568 HydrophobicContact CG-CD2 4.02Å; L545-L568 CarbonylContact O-C 3.51Å; L545-L568 WeakPolarHBondContact O-CA 3.25Å; I552-L568 HydrophobicContact CD1-CD1 3.49Å; I552-L568 VanDerWaalsContact CD1-CD1 3.49Å; I552-L568 HydrophobicContact CG1-CD1 3.72Å; L566-L568 HydrophobicContact CD1-CD2 3.98Å; L566-L568 HydrophobicContact CD1-CG 4.38Å; L566-L568 HydrophobicContact CD2-CD1 4.4Å; L566-L568 HydrophobicContact CD2-CG 4.47Å; L566-L568 HydrophobicContact CG-CD2 4.34Å; L566-L568 HydrophobicContact CG-CG 4.2Å; L568-L575 HydrophobicContact CD1-CD2 4.39Å; L568-E591 PolarHBondContact N-O 2.91Å; L568-L592 HydrophobicContact CB-CD2 4Å; L568-L592 HydrophobicContact CD1-CD2 3.71Å; L568-L592 HydrophobicContact CG-CD2 4.07Å; L568-I593 PolarHBondContact O-N 3.13Å
569D90.1Very high81.4Confident16 Ų1643.2 Ų43.29%0.08624%0.244CC..EExtended strand (participates in β ladder)trans-113.2107.6170.9177.4-3.1000107.8Y544 L545 K546 S547 E571 I593Y544-D569 PolarHBondContact OH-OD2 2.89Å; L545-D569 PolarHBondContact O-N 3.19Å; K546-D569 VanDerWaalsContact CA-O 3.29Å; K546-D569 WeakPolarHBondContact CA-O 3.33Å; K546-D569 HydrophobicContact CB-CB 4.13Å; K546-D569 WeakPolarHBondContact CD-OD2 3.39Å; K546-D569 WeakPolarHBondContact CE-OD2 3.32Å; K546-D569 HydrophobicContact CG-CB 4.08Å; K546-D569 IonicContact NZ-OD2 3.77Å; K546-D569 PolarHBondContact NZ-OD2 3.44Å; S547-D569 PolarHBondContact N-O 2.9Å; S547-D569 VanDerWaalsContact N-O 3.07Å; D569-E571 PolarHBondContact OD1-N 3.42Å; D569-I593 WeakPolarHBondContact CA-O 3.47Å; D569-I593 HydrophobicContact CB-CB 4.4Å
570N86.5Confident81.9Confident3 Ų342.5 Ų42.52%0.01624%0.24CC..  trans-96.410.3-168.7-144.732.6000114.2S547 L549 G572 S573 I593 S594 C595S547-N570 WeakPolarHBondContact O-CA 3.46Å; S547-N570 PolarHBondContact O-OD1 3.34Å; L549-N570 WeakPolarHBondContact CA-OD1 3.19Å; L549-N570 WeakPolarHBondContact CB-OD1 3.38Å; L549-N570 PolarHBondContact N-OD1 3.13Å; L549-N570 PolarHBondContact O-ND2 3.4Å; L549-N570 PolarHBondContact O-OD1 3.23Å; N570-G572 PolarHBondContact O-N 3.26Å; N570-S573 PolarHBondContact ND2-O 3.33Å; N570-S573 PolarHBondContact ND2-OG 3.29Å; N570-S573 WeakPolarHBondContact O-CB 3.25Å; N570-S573 PolarHBondContact O-N 2.98Å; N570-S573 PolarHBondContact O-OG 3.43Å; N570-S573 PolarHBondContact OD1-OG 2.68Å; N570-I593 PolarHBondContact N-O 3.07Å; N570-S594 CarbonylContact C-O 3.46Å; N570-S594 WeakPolarHBondContact CB-O 3.33Å; N570-C595 HydrophobicContact CB-CB 4.27Å; N570-C595 VanDerWaalsContact CB-SG 3.6Å
571E84.6Confident82.4Confident113 Ų11342.5 Ų42.553%0.52824%0.24SC..THydrogen-bonded Turntrans49.731.9177.7-57.3-171.5141.300114K546 D569K546-E571 WeakPolarHBondContact CE-OE1 3.28Å; K546-E571 HydrophobicContact CG-CG 4.16Å; D569-E571 PolarHBondContact OD1-N 3.42Å
572G80.6Confident83Confident48 Ų4844 Ų4450%0.49524%0.239SC..THydrogen-bonded Turntrans85.64.1178.900000115N570 S594N570-G572 PolarHBondContact O-N 3.26Å; G572-S594 VanDerWaalsContact CA-O 3.27Å; G572-S594 WeakPolarHBondContact CA-O 3.42Å; G572-S594 PolarHBondContact N-O 3.23Å
573S84.1Confident83.2Confident34 Ų3447.1 Ų47.124%0.23825%0.247CC..  trans-80.4146.817564.10000112.1S548 N570 L575 C595S548-S573 WeakPolarHBondContact CA-OG 3.13Å; N570-S573 PolarHBondContact ND2-O 3.33Å; N570-S573 PolarHBondContact ND2-OG 3.29Å; N570-S573 WeakPolarHBondContact O-CB 3.25Å; N570-S573 PolarHBondContact O-N 2.98Å; N570-S573 PolarHBondContact O-OG 3.43Å; N570-S573 PolarHBondContact OD1-OG 2.68Å; S573-L575 PolarHBondContact O-N 3.42Å; S573-C595 CarbonylContact O-C 3.41Å
574K83.6Confident83Confident103 Ų10347.1 Ų47.145%0.44825%0.247SC..  trans-76.8115.4-176.2-169.6169.4-167.51500112V576 D596 E598K574-V576 HydrophobicContact CG-CG2 4.35Å; K574-V576 PolarHBondContact O-N 3.19Å; K574-D596 HydrophobicContact CB-CB 4.3Å; K574-E598 IonicContact NZ-OE1 2.84Å; K574-E598 PolarHBondContact NZ-OE1 3.22Å
575L82.2Confident82.6Confident11 Ų1147 Ų476%0.05825%0.251CS..  trans-85.4111.9176.8-165.565.4000110.6L549 I552 L568 S573 L578 C595L549-L575 HydrophobicContact CB-CD1 4.31Å; I552-L575 HydrophobicContact CD1-CD2 4.4Å; I552-L575 HydrophobicContact CG1-CD1 4.28Å; I552-L575 HydrophobicContact CG1-CD2 4.1Å; L568-L575 HydrophobicContact CD1-CD2 4.39Å; S573-L575 PolarHBondContact O-N 3.42Å; L575-L578 HydrophobicContact CD2-CD1 4.42Å; L575-L578 HydrophobicContact CD2-CD2 3.77Å; L575-L578 HydrophobicContact CD2-CG 4.43Å; L575-L578 HydrophobicContact CG-CD2 4.4Å; L575-C595 HydrophobicContact CB-CB 4.28Å; L575-C595 PolarHBondContact N-O 2.87Å
576V71.6Confident82.3Confident72 Ų7248 Ų4844%0.43626%0.259SS..  trans-103.2133.3-176.8-163.70000110S550 R551 K574S550-V576 PolarHBondContact O-N 2.96Å; R551-V576 WeakPolarHBondContact CG-O 3.49Å; K574-V576 HydrophobicContact CG-CG2 4.35Å; K574-V576 PolarHBondContact O-N 3.19Å
577V67.4Low82.2Confident71 Ų7148 Ų4843%0.4326%0.259SS..  trans68.899.1176.3-166.20000114.7N579V577-N579 HydrophobicContact CG1-CB 4.29Å
578L74.5Confident82.3Confident13 Ų1352.5 Ų52.57%0.06828%0.278CS..  trans-106.110.7178.9-74152.6000113.5I552 L575 N580 L581 L597 P601 S603I552-L578 HydrophobicContact CD1-CD2 3.35Å; I552-L578 HydrophobicContact CG1-CD2 4.03Å; L575-L578 HydrophobicContact CD2-CD1 4.42Å; L575-L578 HydrophobicContact CD2-CD2 3.77Å; L575-L578 HydrophobicContact CD2-CG 4.43Å; L575-L578 HydrophobicContact CG-CD2 4.4Å; L578-N580 PolarHBondContact O-N 3.48Å; L578-N580 VanDerWaalsContact O-N 3.08Å; L578-L581 HydrophobicContact CB-CD1 4.17Å; L578-L581 HydrophobicContact CD2-CD1 3.65Å; L578-L581 HydrophobicContact CD2-CG 4.23Å; L578-L581 WeakPolarHBondContact O-CB 3.47Å; L578-L581 PolarHBondContact O-N 2.93Å; L578-L581 VanDerWaalsContact O-N 3.11Å; L578-L597 HydrophobicContact CD1-CD2 3.85Å; L578-P601 HydrophobicContact CB-CB 3.8Å; L578-P601 HydrophobicContact CB-CG 4.19Å; L578-P601 HydrophobicContact CD1-CB 3.79Å; L578-P601 HydrophobicContact CD1-CG 3.25Å; L578-P601 HydrophobicContact CG-CB 4.39Å; L578-P601 HydrophobicContact CG-CG 4.25Å; L578-S603 VanDerWaalsContact C-OG 3.3Å; L578-S603 WeakPolarHBondContact O-CB 3.25Å; L578-S603 PolarHBondContact O-OG 3.18Å
579N75.4Confident82.5Confident107 Ų10752.8 Ų52.857%0.57228%0.281SS*.G310 helixtrans-59-27.4-173.6-65.6-10.4000113.7V577 L581 K582V577-N579 HydrophobicContact CG1-CB 4.29Å; N579-L581 VanDerWaalsContact C-N 3.28Å; N579-L581 PolarHBondContact O-N 3.4Å; N579-K582 WeakPolarHBondContact O-CG 3.5Å
580N77.1Confident82.6Confident41 Ų4152 Ų5222%0.21928%0.277CS..G310 helixtrans-73.8-16.9-177.4-59.6-28.6000113.4T557 L578 K582 K583T557-N580 HydrophobicContact CG2-CB 3.72Å; L578-N580 PolarHBondContact O-N 3.48Å; L578-N580 VanDerWaalsContact O-N 3.08Å; N580-K582 PolarHBondContact O-N 3.29Å; N580-K582 VanDerWaalsContact O-N 3.13Å; N580-K583 PolarHBondContact O-N 2.93Å; N580-K583 VanDerWaalsContact O-N 3.16Å
581L81Confident83Confident1 Ų153 Ų531%0.00528%0.281CS..G310 helixtrans-59.4-25176.3-71.6178.9000112.7I552 L566 L578 N579 K583 M584 L590 I604 L607I552-L581 HydrophobicContact CD1-CD1 4.35Å; I552-L581 HydrophobicContact CD1-CD2 3.71Å; I552-L581 HydrophobicContact CD1-CG 4.05Å; L566-L581 HydrophobicContact CD2-CD2 4.07Å; L578-L581 HydrophobicContact CB-CD1 4.17Å; L578-L581 HydrophobicContact CD2-CD1 3.65Å; L578-L581 HydrophobicContact CD2-CG 4.23Å; L578-L581 WeakPolarHBondContact O-CB 3.47Å; L578-L581 PolarHBondContact O-N 2.93Å; L578-L581 VanDerWaalsContact O-N 3.11Å; N579-L581 VanDerWaalsContact C-N 3.28Å; N579-L581 PolarHBondContact O-N 3.4Å; L581-K583 PolarHBondContact O-N 2.87Å; L581-M584 HydrophobicContact CD2-SD 4.08Å; L581-M584 PolarHBondContact O-N 3.1Å; L581-L590 HydrophobicContact CD1-CD2 4.42Å; L581-I604 HydrophobicContact CD1-CG1 4.32Å; L581-L607 WeakPolarHBondContact O-CD2 3.42Å
582K81.6Confident83.4Confident107 Ų10747.6 Ų47.647%0.46526%0.256SS..G310 helixtrans-56.3-23.1177.3-62.9-173176.2-174.90113.6N579 N580 M584N579-K582 WeakPolarHBondContact O-CG 3.5Å; N580-K582 PolarHBondContact O-N 3.29Å; N580-K582 VanDerWaalsContact O-N 3.13Å; K582-M584 VanDerWaalsContact C-N 3.33Å
583K82.6Confident83.9Confident109 Ų10945.6 Ų45.647%0.47423%0.234SC..G310 helixtrans-75.9-19.7178.6-64-179.1-179-179.50113.1D558 N580 L581 V585D558-K583 WeakPolarHBondContact OD1-CD 3.33Å; D558-K583 WeakPolarHBondContact OD1-CE 3.42Å; D558-K583 IonicContact OD1-NZ 3.32Å; D558-K583 PolarHBondContact OD1-NZ 2.9Å; D558-K583 IonicContact OD2-NZ 2.81Å; D558-K583 PolarHBondContact OD2-NZ 2.69Å; N580-K583 PolarHBondContact O-N 2.93Å; N580-K583 VanDerWaalsContact O-N 3.16Å; L581-K583 PolarHBondContact O-N 2.87Å; K583-V585 VanDerWaalsContact C-N 3.34Å; K583-V585 PolarHBondContact O-N 3.46Å; K583-V585 VanDerWaalsContact O-N 3.14Å
584M81.8Confident84.2Confident3 Ų345 Ų452%0.01523%0.23CC..  trans-91.856.8-171.5-59.4-176.973.900112.7T557 L563 L566 L581 K582 N586 L587 L607T557-M584 HydrophobicContact CG2-SD 4.12Å; L563-M584 HydrophobicContact CB-CE 3.95Å; L563-M584 HydrophobicContact CD2-CE 3.43Å; L563-M584 VanDerWaalsContact CD2-CE 3.43Å; L563-M584 HydrophobicContact CG-CE 4.33Å; L566-M584 HydrophobicContact CD2-CE 4.15Å; L566-M584 HydrophobicContact CD2-SD 4.09Å; L581-M584 HydrophobicContact CD2-SD 4.08Å; L581-M584 PolarHBondContact O-N 3.1Å; K582-M584 VanDerWaalsContact C-N 3.33Å; M584-N586 PolarHBondContact O-N 3.42Å; M584-L587 HydrophobicContact CB-CD1 3.5Å; M584-L587 HydrophobicContact CB-CG 3.88Å; M584-L587 HydrophobicContact CE-CD1 3.93Å; M584-L587 HydrophobicContact CE-CD2 4.15Å; M584-L587 HydrophobicContact CE-CG 4.15Å; M584-L587 HydrophobicContact CG-CD1 4.35Å; M584-L587 PolarHBondContact O-N 3.42Å; M584-L587 VanDerWaalsContact O-N 3.16Å; M584-L587 HydrophobicContact SD-CD1 3.98Å; M584-L607 WeakPolarHBondContact O-CD2 3.25Å
585V82.5Confident84.5Confident68 Ų6840.1 Ų40.141%0.41221%0.209SC..THydrogen-bonded Turntrans-63.2-19.2-169-167.90000114.2K583 N609K583-V585 VanDerWaalsContact C-N 3.34Å; K583-V585 PolarHBondContact O-N 3.46Å; K583-V585 VanDerWaalsContact O-N 3.14Å; V585-N609 PolarHBondContact O-ND2 2.93Å
586N86.9Confident84.9Confident83 Ų8341.5 Ų41.544%0.44422%0.216SC..THydrogen-bonded Turntrans-90.21.1-178.7-67.1-33.1000114.5P561 L563 M584 K588P561-N586 WeakPolarHBondContact O-CB 3.46Å; P561-N586 PolarHBondContact O-ND2 3.09Å; L563-N586 CarbonylContact O-C 3.57Å; M584-N586 PolarHBondContact O-N 3.42Å; N586-K588 PolarHBondContact O-N 3Å
587L90.2Very high85.7Confident0 Ų038.6 Ų38.60%020%0.198CC..  trans-62.9129.1177.7-80.2172.6000111.3L563 L566 M584 L607 N609 L610L563-L587 HydrophobicContact CD2-CD2 4.18Å; L566-L587 HydrophobicContact CB-CD2 3.82Å; M584-L587 HydrophobicContact CB-CD1 3.5Å; M584-L587 HydrophobicContact CB-CG 3.88Å; M584-L587 HydrophobicContact CE-CD1 3.93Å; M584-L587 HydrophobicContact CE-CD2 4.15Å; M584-L587 HydrophobicContact CE-CG 4.15Å; M584-L587 HydrophobicContact CG-CD1 4.35Å; M584-L587 PolarHBondContact O-N 3.42Å; M584-L587 VanDerWaalsContact O-N 3.16Å; M584-L587 HydrophobicContact SD-CD1 3.98Å; L587-L607 HydrophobicContact CD1-CD1 4.09Å; L587-L607 HydrophobicContact CD1-CD2 4.41Å; L587-N609 CarbonylContact O-C 3.09Å; L587-N609 VanDerWaalsContact O-C 3.27Å; L587-L610 HydrophobicContact CB-CD1 4.45Å; L587-L610 PolarHBondContact O-N 3.37Å
588K92.9Very high86.8Confident95 Ų9540.3 Ų40.341%0.41320%0.201SC..SBendtrans-105.5-33.9174.4-66.4-172.9176.4-1710112.1Q564 N586 H611 E612Q564-K588 PolarHBondContact O-N 3.49Å; N586-K588 PolarHBondContact O-N 3Å; K588-H611 WeakPolarHBondContact O-CA 3.44Å; K588-H611 PolarHBondContact O-N 3.09Å; K588-E612 PolarHBondContact O-N 3.31Å
589S94.7Very high87.4Confident11 Ų1147.7 Ų47.78%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-132.1125.6-179.8177.20000109.1Q564 K565 L566 E612Q564-S589 PolarHBondContact O-N 2.72Å; K565-S589 VanDerWaalsContact CA-O 3.3Å; K565-S589 WeakPolarHBondContact CA-O 3.22Å; L566-S589 PolarHBondContact N-O 2.87Å; S589-E612 WeakPolarHBondContact CA-O 3.47Å; S589-E612 PolarHBondContact OG-OE2 3.39Å
590L93.6Very high88Confident0 Ų042.8 Ų42.80%020%0.202CC..EExtended strand (participates in β ladder)trans-125.7120.7177.717964.5000109L566 L581 L592 I604 L607 L610 E612 L613 D614L566-L590 HydrophobicContact CB-CD1 4.01Å; L566-L590 HydrophobicContact CD2-CD1 3.98Å; L566-L590 HydrophobicContact CG-CD1 4.2Å; L566-L590 WeakPolarHBondContact O-CA 3.48Å; L581-L590 HydrophobicContact CD1-CD2 4.42Å; L590-L592 HydrophobicContact CD1-CD2 4.15Å; L590-L592 HydrophobicContact CD1-CG 4.35Å; L590-L592 HydrophobicContact CD2-CD1 4.43Å; L590-L592 HydrophobicContact CG-CG 4.26Å; L590-I604 HydrophobicContact CD2-CD1 4.03Å; L590-I604 HydrophobicContact CD2-CG1 4.04Å; L590-I604 HydrophobicContact CD2-CG2 4.23Å; L590-L607 HydrophobicContact CD2-CD1 4.08Å; L590-L610 HydrophobicContact CB-CD1 3.75Å; L590-E612 PolarHBondContact N-O 2.98Å; L590-L613 HydrophobicContact CB-CD1 4.22Å; L590-L613 HydrophobicContact CD2-CD1 4.06Å; L590-L613 HydrophobicContact CG-CD1 4.27Å; L590-L613 WeakPolarHBondContact O-CA 3.33Å; L590-D614 PolarHBondContact O-N 3.38Å
591E94.3Very high88.5Confident23 Ų2341.7 Ų41.711%0.10720%0.197CC..EExtended strand (participates in β ladder)trans-117.7121.2175.9-50.8174.7169.600108.7K565 L566 S567 L568 I593 D614K565-E591 WeakPolarHBondContact CE-OE1 3.5Å; K565-E591 IonicContact NZ-OE1 2.71Å; K565-E591 PolarHBondContact NZ-OE1 2.75Å; L566-E591 PolarHBondContact O-N 2.7Å; S567-E591 WeakPolarHBondContact CA-O 3.32Å; S567-E591 WeakPolarHBondContact CB-OE2 3.38Å; S567-E591 PolarHBondContact OG-OE2 2.84Å; L568-E591 PolarHBondContact N-O 2.91Å; E591-I593 HydrophobicContact CB-CD1 4.22Å; E591-I593 HydrophobicContact CB-CG1 4.36Å; E591-D614 CarbonylContact C-O 3.29Å; E591-D614 WeakPolarHBondContact CA-O 3.34Å; E591-D614 HydrophobicContact CB-CB 4.15Å; E591-D614 HydrophobicContact CG-CB 3.97Å
592L92Very high88.7Confident0 Ų047.6 Ų47.60%022%0.224CC..EExtended strand (participates in β ladder)trans-122.391.9173.3-57.2176.7000107.9L568 L590 L597 I604 D614 L615 N618L568-L592 HydrophobicContact CB-CD2 4Å; L568-L592 HydrophobicContact CD1-CD2 3.71Å; L568-L592 HydrophobicContact CG-CD2 4.07Å; L590-L592 HydrophobicContact CD1-CD2 4.15Å; L590-L592 HydrophobicContact CD1-CG 4.35Å; L590-L592 HydrophobicContact CD2-CD1 4.43Å; L590-L592 HydrophobicContact CG-CG 4.26Å; L592-L597 HydrophobicContact CB-CD1 4.13Å; L592-L597 HydrophobicContact CD1-CD1 4Å; L592-I604 HydrophobicContact CD1-CD1 4.07Å; L592-D614 PolarHBondContact N-O 3.02Å; L592-L615 HydrophobicContact CB-CD2 3.75Å; L592-L615 HydrophobicContact CD1-CD2 3.81Å; L592-L615 HydrophobicContact CG-CD2 4.05Å; L592-N618 PolarHBondContact O-ND2 2.68Å
593I92.2Very high88.9Confident5 Ų542.5 Ų42.53%0.02620%0.203CC..EExtended strand (participates in β ladder)trans-101.7136.5-171.7-56.5159.7000108.6L568 D569 N570 E591 C595 R616L568-I593 PolarHBondContact O-N 3.13Å; D569-I593 WeakPolarHBondContact CA-O 3.47Å; D569-I593 HydrophobicContact CB-CB 4.4Å; N570-I593 PolarHBondContact N-O 3.07Å; E591-I593 HydrophobicContact CB-CD1 4.22Å; E591-I593 HydrophobicContact CB-CG1 4.36Å; I593-C595 PolarHBondContact O-N 3.27Å; I593-C595 VanDerWaalsContact O-N 3.14Å; I593-C595 PolarHBondContact O-SG 3.12Å; I593-R616 HydrophobicContact CB-CG 4.41Å; I593-R616 HydrophobicContact CG1-CG 3.97Å; I593-R616 HydrophobicContact CG2-CG 3.99Å
594S91Very high89.1Confident23 Ų2337.3 Ų37.316%0.16118%0.18CC..SBendtrans53.540.8172.1-86.40000113.1N570 G572 R616 E617N570-S594 CarbonylContact C-O 3.46Å; N570-S594 WeakPolarHBondContact CB-O 3.33Å; G572-S594 VanDerWaalsContact CA-O 3.27Å; G572-S594 WeakPolarHBondContact CA-O 3.42Å; G572-S594 PolarHBondContact N-O 3.23Å; S594-R616 PolarHBondContact N-O 3Å; S594-E617 VanDerWaalsContact CA-O 3.23Å; S594-E617 WeakPolarHBondContact CA-O 3.35Å; S594-E617 PolarHBondContact N-O 3.44Å; S594-E617 PolarHBondContact OG-OE2 3.34Å
595C89.4Confident89.3Confident0 Ų037.8 Ų37.80%018%0.182CC..  trans-99.35.8-174.7-71.50000114.5N570 S573 L575 I593 L597 N618N570-C595 HydrophobicContact CB-CB 4.27Å; N570-C595 VanDerWaalsContact CB-SG 3.6Å; S573-C595 CarbonylContact O-C 3.41Å; L575-C595 HydrophobicContact CB-CB 4.28Å; L575-C595 PolarHBondContact N-O 2.87Å; I593-C595 PolarHBondContact O-N 3.27Å; I593-C595 VanDerWaalsContact O-N 3.14Å; I593-C595 PolarHBondContact O-SG 3.12Å; C595-L597 HydrophobicContact CB-CD1 4.05Å; C595-L597 HydrophobicContact CB-CD2 4.34Å; C595-L597 HydrophobicContact CB-CG 3.75Å; C595-L597 PolarHBondContact O-N 2.69Å; C595-N618 WeakPolarHBondContact CA-OD1 3.28Å; C595-N618 WeakPolarHBondContact CB-OD1 3.37Å; C595-N618 PolarHBondContact N-OD1 3.24Å
596D90.4Very high89.5Confident40 Ų4036.7 Ų36.721%0.21418%0.177CC..  trans49.540.6-174.7-174.139.5000112.3K574 E598 N618 N619K574-D596 HydrophobicContact CB-CB 4.3Å; D596-E598 PolarHBondContact O-N 3.38Å; D596-N618 PolarHBondContact N-OD1 2.93Å; D596-N619 PolarHBondContact OD1-ND2 3.35Å
597L88.6Confident89.5Confident11 Ų1132.8 Ų32.86%0.05816%0.156CC..  trans-77.3119.2177.1-61.6173.7000109.5L578 L592 C595 L615 N618 N619 L620L578-L597 HydrophobicContact CD1-CD2 3.85Å; L592-L597 HydrophobicContact CB-CD1 4.13Å; L592-L597 HydrophobicContact CD1-CD1 4Å; C595-L597 HydrophobicContact CB-CD1 4.05Å; C595-L597 HydrophobicContact CB-CD2 4.34Å; C595-L597 HydrophobicContact CB-CG 3.75Å; C595-L597 PolarHBondContact O-N 2.69Å; L597-L615 HydrophobicContact CD1-CD2 4.43Å; L597-N618 HydrophobicContact CB-CB 4.15Å; L597-N618 PolarHBondContact N-OD1 3.4Å; L597-N619 CarbonylContact O-C 3.58Å; L597-N619 WeakPolarHBondContact O-CA 3.42Å; L597-N619 PolarHBondContact O-N 3.15Å; L597-N619 VanDerWaalsContact O-N 3.08Å; L597-L620 HydrophobicContact CB-CD2 4.13Å; L597-L620 WeakPolarHBondContact O-CD2 3.36Å; L597-L620 PolarHBondContact O-N 3.03Å; L597-L620 VanDerWaalsContact O-N 3.13Å
598E89.3Confident89.3Confident106 Ų10637 Ų3750%0.49518%0.179SC..SBendtrans-81.2-26173.5-67.7174.2-140.500112.6K574 D596K574-E598 IonicContact NZ-OE1 2.84Å; K574-E598 PolarHBondContact NZ-OE1 3.22Å; D596-E598 PolarHBondContact O-N 3.38Å
599R88.1Confident89.1Confident169 Ų16935.4 Ų35.464%0.63818%0.175SC*.SBendtrans-143.3158-178.5-71-176.3-179.2157.71.3111.6L620 E625R599-L620 VanDerWaalsContact C-CD2 3.44Å; R599-E625 WeakPolarHBondContact CD-OE1 3.22Å
600I88.5Confident88.9Confident3 Ų334.9 Ų34.92%0.01517%0.171CC..  trans-74.2125.4175.6-55.9179.7000109.6I604 F605 L615 L620 V623 E625 F629I600-I604 HydrophobicContact CG2-CD1 4.32Å; I600-F605 HydrophobicContact CG2-CE1 4.39Å; I600-F605 HydrophobicContact CG2-CZ 3.88Å; I600-L615 HydrophobicContact CD1-CD1 4.15Å; I600-L615 HydrophobicContact CG1-CD1 3.88Å; I600-L615 HydrophobicContact CG2-CD1 4.15Å; I600-L620 HydrophobicContact CG1-CD1 4.33Å; I600-L620 HydrophobicContact CG1-CD2 4.23Å; I600-V623 HydrophobicContact CD1-CB 4.46Å; I600-V623 HydrophobicContact CD1-CG1 4.13Å; I600-E625 HydrophobicContact CB-CB 4.31Å; I600-F629 HydrophobicContact CD1-CZ 4.13Å
601P86.8Confident88.9Confident19 Ų1938.3 Ų38.312%0.12319%0.187CC..  trans-69.4131.9-177.6-6.916.3000113.1L578 S603 I604L578-P601 HydrophobicContact CB-CB 3.8Å; L578-P601 HydrophobicContact CB-CG 4.19Å; L578-P601 HydrophobicContact CD1-CB 3.79Å; L578-P601 HydrophobicContact CD1-CG 3.25Å; L578-P601 HydrophobicContact CG-CB 4.39Å; L578-P601 HydrophobicContact CG-CG 4.25Å; P601-S603 PolarHBondContact O-N 3.41Å; P601-I604 HydrophobicContact CB-CD1 4.48Å; P601-I604 HydrophobicContact CB-CG1 4.34Å; P601-I604 HydrophobicContact CG-CD1 3.88Å; P601-I604 HydrophobicContact CG-CG1 4.23Å; P601-I604 PolarHBondContact O-N 3.07Å; P601-I604 VanDerWaalsContact O-N 3.1Å
602H85.1Confident89Confident124 Ų12439.2 Ų39.257%0.57419%0.191SC*.THydrogen-bonded Turntrans-61.1-19.5180-61.1-63.5000115.4I604 F605H602-I604 VanDerWaalsContact C-N 3.29Å; H602-I604 PolarHBondContact O-N 3.37Å; H602-F605 VanDerWaalsContact CA-CD2 3.46Å; H602-F605 HydrophobicContact CB-CD2 4.22Å; H602-F605 HydrophobicContact CB-CE2 4.36Å; H602-F605 AromaticContact ND1-CE2 3.73Å; H602-F605 WeakPolarHBondContact O-CD2 3.43Å; H602-F605 PolarHBondContact O-N 2.92Å
603S85.7Confident89Confident1 Ų139.2 Ų39.21%0.00719%0.191CC..THydrogen-bonded Turntrans-69.2-25.3177.548.30000113.6L578 P601 F605 S606L578-S603 VanDerWaalsContact C-OG 3.3Å; L578-S603 WeakPolarHBondContact O-CB 3.25Å; L578-S603 PolarHBondContact O-OG 3.18Å; P601-S603 PolarHBondContact O-N 3.41Å; S603-F605 PolarHBondContact O-N 2.72Å; S603-S606 PolarHBondContact O-N 3.32Å
604I87.6Confident89.2Confident0 Ų039 Ų390%019%0.19CC..G310 helixtrans-63.8-34.7178.4-58.9-176.7000110.4L581 L590 L592 I600 P601 H602 S606 L607 L610 L613 L615L581-I604 HydrophobicContact CD1-CG1 4.32Å; L590-I604 HydrophobicContact CD2-CD1 4.03Å; L590-I604 HydrophobicContact CD2-CG1 4.04Å; L590-I604 HydrophobicContact CD2-CG2 4.23Å; L592-I604 HydrophobicContact CD1-CD1 4.07Å; I600-I604 HydrophobicContact CG2-CD1 4.32Å; P601-I604 HydrophobicContact CB-CD1 4.48Å; P601-I604 HydrophobicContact CB-CG1 4.34Å; P601-I604 HydrophobicContact CG-CD1 3.88Å; P601-I604 HydrophobicContact CG-CG1 4.23Å; P601-I604 PolarHBondContact O-N 3.07Å; P601-I604 VanDerWaalsContact O-N 3.1Å; H602-I604 VanDerWaalsContact C-N 3.29Å; H602-I604 PolarHBondContact O-N 3.37Å; I604-S606 PolarHBondContact O-N 3.41Å; I604-L607 HydrophobicContact CG2-CD1 4.45Å; I604-L607 VanDerWaalsContact O-CB 3.28Å; I604-L607 WeakPolarHBondContact O-CB 3.39Å; I604-L607 WeakPolarHBondContact O-CG 3.4Å; I604-L607 PolarHBondContact O-N 3.4Å; I604-L610 HydrophobicContact CG2-CD2 4.02Å; I604-L613 HydrophobicContact CD1-CD1 4.24Å; I604-L613 HydrophobicContact CG2-CD1 4.11Å; I604-L613 HydrophobicContact CG2-CD2 4.12Å; I604-L615 HydrophobicContact CD1-CD2 4.38Å
605F85.4Confident89.3Confident13 Ų1337.9 Ų37.96%0.05718%0.182CC..G310 helixtrans-67.2-9-179.8-49.2-59.1000114.3I600 H602 S603 L607 E625 S628 F629 L632I600-F605 HydrophobicContact CG2-CE1 4.39Å; I600-F605 HydrophobicContact CG2-CZ 3.88Å; H602-F605 VanDerWaalsContact CA-CD2 3.46Å; H602-F605 HydrophobicContact CB-CD2 4.22Å; H602-F605 HydrophobicContact CB-CE2 4.36Å; H602-F605 AromaticContact ND1-CE2 3.73Å; H602-F605 WeakPolarHBondContact O-CD2 3.43Å; H602-F605 PolarHBondContact O-N 2.92Å; S603-F605 PolarHBondContact O-N 2.72Å; F605-L607 VanDerWaalsContact C-N 3.31Å; F605-E625 HydrophobicContact CE2-CB 4.03Å; F605-E625 HydrophobicContact CZ-CB 3.63Å; F605-E625 VanDerWaalsContact CZ-O 3.29Å; F605-E625 WeakPolarHBondContact CZ-O 3.4Å; F605-S628 VanDerWaalsContact CD2-CB 3.49Å; F605-S628 VanDerWaalsContact CG-CB 3.49Å; F605-F629 AromaticContact CD1-CD1 3.66Å; F605-F629 HydrophobicContact CD1-CD1 3.66Å; F605-F629 AromaticContact CD1-CE1 3.97Å; F605-F629 HydrophobicContact CD1-CE1 3.97Å; F605-F629 AromaticContact CE1-CD1 3.35Å; F605-F629 HydrophobicContact CE1-CD1 3.35Å; F605-F629 AromaticContact CE1-CE1 3.38Å; F605-F629 HydrophobicContact CE1-CE1 3.38Å; F605-F629 HydrophobicContact CE1-CG 4.25Å; F605-F629 HydrophobicContact CE1-CZ 4.29Å; F605-F629 HydrophobicContact CZ-CE1 4.43Å; F605-L632 HydrophobicContact CD1-CD1 4.47Å
606S86.3Confident89.4Confident45 Ų4541 Ų4132%0.31519%0.194SC..G310 helixtrans-84.6-4.7173-53.50000113.1S603 I604 N608S603-S606 PolarHBondContact O-N 3.32Å; I604-S606 PolarHBondContact O-N 3.41Å; S606-N608 PolarHBondContact O-N 3.37Å
607L87.4Confident89.5Confident0 Ų043.3 Ų43.30%020%0.203CC..  trans-91.674.9-175.4-58.4178.1000111.7L581 M584 L587 L590 I604 F605 N609 L610 L632L581-L607 WeakPolarHBondContact O-CD2 3.42Å; M584-L607 WeakPolarHBondContact O-CD2 3.25Å; L587-L607 HydrophobicContact CD1-CD1 4.09Å; L587-L607 HydrophobicContact CD1-CD2 4.41Å; L590-L607 HydrophobicContact CD2-CD1 4.08Å; I604-L607 HydrophobicContact CG2-CD1 4.45Å; I604-L607 VanDerWaalsContact O-CB 3.28Å; I604-L607 WeakPolarHBondContact O-CB 3.39Å; I604-L607 WeakPolarHBondContact O-CG 3.4Å; I604-L607 PolarHBondContact O-N 3.4Å; F605-L607 VanDerWaalsContact C-N 3.31Å; L607-N609 PolarHBondContact O-N 3.32Å; L607-L610 HydrophobicContact CB-CB 4.17Å; L607-L610 HydrophobicContact CD1-CD1 4.46Å; L607-L610 VanDerWaalsContact O-CB 3.28Å; L607-L610 WeakPolarHBondContact O-CB 3.47Å; L607-L610 PolarHBondContact O-N 3.44Å; L607-L632 WeakPolarHBondContact O-CD2 2.92Å
608N86.1Confident89.7Confident89 Ų8943 Ų4348%0.47620%0.202SC..THydrogen-bonded Turntrans-60.8-21.8-172.4-56.9-14.9000114.9S606 N634S606-N608 PolarHBondContact O-N 3.37Å; N608-N634 PolarHBondContact O-ND2 3Å
609N88.6Confident89.8Confident61 Ų6141.3 Ų41.333%0.32620%0.197SC..THydrogen-bonded Turntrans-93.25.5-179.3-66.5-41.5000113.9V585 L587 L607 H611V585-N609 PolarHBondContact O-ND2 2.93Å; L587-N609 CarbonylContact O-C 3.09Å; L587-N609 VanDerWaalsContact O-C 3.27Å; L607-N609 PolarHBondContact O-N 3.32Å; N609-H611 PolarHBondContact O-CD2 3.37Å; N609-H611 PolarHBondContact O-N 3.2Å
610L91.4Very high89.9Confident0 Ų033.3 Ų33.30%017%0.166CC..  trans-69.5122.1-176.9-161.472.9000110.5L587 L590 I604 L607 L613 L632 N634 L635L587-L610 HydrophobicContact CB-CD1 4.45Å; L587-L610 PolarHBondContact O-N 3.37Å; L590-L610 HydrophobicContact CB-CD1 3.75Å; I604-L610 HydrophobicContact CG2-CD2 4.02Å; L607-L610 HydrophobicContact CB-CB 4.17Å; L607-L610 HydrophobicContact CD1-CD1 4.46Å; L607-L610 VanDerWaalsContact O-CB 3.28Å; L607-L610 WeakPolarHBondContact O-CB 3.47Å; L607-L610 PolarHBondContact O-N 3.44Å; L610-L613 HydrophobicContact CD2-CB 3.95Å; L610-L613 HydrophobicContact CD2-CD1 4.16Å; L610-L613 HydrophobicContact CD2-CG 4.43Å; L610-L632 HydrophobicContact CB-CD2 4.48Å; L610-L632 HydrophobicContact CD2-CD1 4.25Å; L610-N634 CarbonylContact O-C 3.29Å; L610-N634 VanDerWaalsContact O-C 3.25Å; L610-L635 HydrophobicContact CD2-CD1 4.32Å; L610-L635 HydrophobicContact CG-CD1 4.41Å; L610-L635 WeakPolarHBondContact O-CA 3.28Å; L610-L635 PolarHBondContact O-N 2.95Å
611H93.3Very high90Very high73 Ų7339.4 Ų39.434%0.33819%0.193SC..  trans-101-38175.3-69.6-66.6000111.8K588 N609 N634 S636 C637K588-H611 WeakPolarHBondContact O-CA 3.44Å; K588-H611 PolarHBondContact O-N 3.09Å; N609-H611 PolarHBondContact O-CD2 3.37Å; N609-H611 PolarHBondContact O-N 3.2Å; H611-N634 WeakPolarHBondContact CA-O 3.42Å; H611-N634 PolarHBondContact ND1-O 3.01Å; H611-S636 PolarHBondContact O-N 3.32Å; H611-S636 PolarHBondContact O-OG 3.1Å; H611-C637 PolarHBondContact O-N 2.96Å
612E95.1Very high89.9Confident41 Ų4140.3 Ų40.319%0.19220%0.198CC..EExtended strand (participates in β ladder)trans-125.4129.3-178.2-178.5179.1-155.700110.7K588 S589 L590 C637 K639K588-E612 PolarHBondContact O-N 3.31Å; S589-E612 WeakPolarHBondContact CA-O 3.47Å; S589-E612 PolarHBondContact OG-OE2 3.39Å; L590-E612 PolarHBondContact N-O 2.98Å; E612-C637 WeakPolarHBondContact CA-O 3.37Å; E612-C637 HydrophobicContact CB-CB 4.19Å; E612-C637 HydrophobicContact CG-CB 4.03Å; E612-K639 IonicContact OE1-NZ 3.83Å; E612-K639 PolarHBondContact OE1-NZ 3.43Å
613L94Very high89.9Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-126.5116.6172.7-179.660.4000109.6L590 I604 L610 L615 F629 L635 C637 L638 K639L590-L613 HydrophobicContact CB-CD1 4.22Å; L590-L613 HydrophobicContact CD2-CD1 4.06Å; L590-L613 HydrophobicContact CG-CD1 4.27Å; L590-L613 WeakPolarHBondContact O-CA 3.33Å; I604-L613 HydrophobicContact CD1-CD1 4.24Å; I604-L613 HydrophobicContact CG2-CD1 4.11Å; I604-L613 HydrophobicContact CG2-CD2 4.12Å; L610-L613 HydrophobicContact CD2-CB 3.95Å; L610-L613 HydrophobicContact CD2-CD1 4.16Å; L610-L613 HydrophobicContact CD2-CG 4.43Å; L613-L615 HydrophobicContact CD1-CD2 3.94Å; L613-L615 HydrophobicContact CD1-CG 4.08Å; L613-L615 HydrophobicContact CD2-CD1 4.28Å; L613-L615 HydrophobicContact CG-CD1 4.38Å; L613-L615 HydrophobicContact CG-CG 4.11Å; L613-F629 HydrophobicContact CD2-CE1 3.88Å; L613-F629 HydrophobicContact CD2-CZ 3.85Å; L613-L635 HydrophobicContact CB-CD1 3.9Å; L613-C637 PolarHBondContact N-O 2.94Å; L613-L638 HydrophobicContact CB-CD1 4.13Å; L613-L638 HydrophobicContact CD2-CD1 3.99Å; L613-L638 HydrophobicContact CG-CD1 4.19Å; L613-K639 PolarHBondContact O-N 3.43Å
614D94.9Very high89.7Confident0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-114.7116.1175-168.3-11.3000109.9L590 E591 L592 R616 K639L590-D614 PolarHBondContact O-N 3.38Å; E591-D614 CarbonylContact C-O 3.29Å; E591-D614 WeakPolarHBondContact CA-O 3.34Å; E591-D614 HydrophobicContact CB-CB 4.15Å; E591-D614 HydrophobicContact CG-CB 3.97Å; L592-D614 PolarHBondContact N-O 3.02Å; D614-R616 VanDerWaalsContact OD1-CB 3.27Å; D614-R616 WeakPolarHBondContact OD1-CB 3.26Å; D614-R616 VanDerWaalsContact OD1-CG 3.31Å; D614-R616 WeakPolarHBondContact OD1-CG 3.34Å; D614-R616 PolarHBondContact OD1-N 3.27Å; D614-R616 IonicContact OD2-CZ 2.69Å; D614-R616 IonicContact OD2-NH1 2.73Å; D614-R616 PolarHBondContact OD2-NH1 2.99Å; D614-K639 HydrophobicContact CB-CB 4.13Å; D614-K639 HydrophobicContact CB-CD 4.2Å
615L93.1Very high89.4Confident0 Ų040.2 Ų40.20%020%0.198CC..  trans-121.135.3175.8-54.2175.6000111.2L592 L597 I600 I604 L613 N618 L620 K639 L640 N643L592-L615 HydrophobicContact CB-CD2 3.75Å; L592-L615 HydrophobicContact CD1-CD2 3.81Å; L592-L615 HydrophobicContact CG-CD2 4.05Å; L597-L615 HydrophobicContact CD1-CD2 4.43Å; I600-L615 HydrophobicContact CD1-CD1 4.15Å; I600-L615 HydrophobicContact CG1-CD1 3.88Å; I600-L615 HydrophobicContact CG2-CD1 4.15Å; I604-L615 HydrophobicContact CD1-CD2 4.38Å; L613-L615 HydrophobicContact CD1-CD2 3.94Å; L613-L615 HydrophobicContact CD1-CG 4.08Å; L613-L615 HydrophobicContact CD2-CD1 4.28Å; L613-L615 HydrophobicContact CG-CD1 4.38Å; L613-L615 HydrophobicContact CG-CG 4.11Å; L615-N618 VanDerWaalsContact C-ND2 3.26Å; L615-N618 PolarHBondContact O-ND2 3.02Å; L615-L620 HydrophobicContact CB-CD1 4.03Å; L615-L620 HydrophobicContact CD1-CD1 4.17Å; L615-K639 PolarHBondContact N-O 2.89Å; L615-L640 HydrophobicContact CB-CD2 3.86Å; L615-L640 HydrophobicContact CD1-CD2 3.92Å; L615-L640 HydrophobicContact CG-CD2 4.21Å; L615-N643 PolarHBondContact O-ND2 2.94Å
616R93.1Very high89Confident67 Ų6739.8 Ų39.825%0.25320%0.196SC..  trans-64.9158.4-179.672.2-178.5-174.3-131.312.2114.4I593 S594 D614 N618 W641I593-R616 HydrophobicContact CB-CG 4.41Å; I593-R616 HydrophobicContact CG1-CG 3.97Å; I593-R616 HydrophobicContact CG2-CG 3.99Å; S594-R616 PolarHBondContact N-O 3Å; D614-R616 VanDerWaalsContact OD1-CB 3.27Å; D614-R616 WeakPolarHBondContact OD1-CB 3.26Å; D614-R616 VanDerWaalsContact OD1-CG 3.31Å; D614-R616 WeakPolarHBondContact OD1-CG 3.34Å; D614-R616 PolarHBondContact OD1-N 3.27Å; D614-R616 IonicContact OD2-CZ 2.69Å; D614-R616 IonicContact OD2-NH1 2.73Å; D614-R616 PolarHBondContact OD2-NH1 2.99Å; R616-N618 PolarHBondContact O-N 2.88Å; R616-N618 PolarHBondContact O-ND2 3.29Å; R616-W641 WeakPolarHBondContact CA-O 3.39Å; R616-W641 HydrophobicContact CB-CD2 4.21Å; R616-W641 HydrophobicContact CB-CG 4.04Å; R616-W641 HydrophobicContact CB-CZ2 4.49Å; R616-W641 VanDerWaalsContact CB-NE1 3.31Å; R616-W641 HydrophobicContact CG-CZ2 4.5Å
617E91.3Very high88.5Confident87 Ų8741.7 Ų41.741%0.40720%0.202SC..SBendtrans55.139.8177.2-59.9177-178.400112.5S594 W641 H642S594-E617 VanDerWaalsContact CA-O 3.23Å; S594-E617 WeakPolarHBondContact CA-O 3.35Å; S594-E617 PolarHBondContact N-O 3.44Å; S594-E617 PolarHBondContact OG-OE2 3.34Å; E617-W641 PolarHBondContact N-O 3.35Å; E617-H642 WeakPolarHBondContact CA-O 3.27Å; E617-H642 HydrophobicContact CG-CB 4.02Å; E617-H642 PolarHBondContact N-O 2.71Å
618N92.4Very high88.2Confident5 Ų543.2 Ų43.23%0.02721%0.213CC..SBendtrans-110.1177.7174.1-75.5-69.7000110.4L592 C595 D596 L597 L615 R616 L620 H642 N643L592-N618 PolarHBondContact O-ND2 2.68Å; C595-N618 WeakPolarHBondContact CA-OD1 3.28Å; C595-N618 WeakPolarHBondContact CB-OD1 3.37Å; C595-N618 PolarHBondContact N-OD1 3.24Å; D596-N618 PolarHBondContact N-OD1 2.93Å; L597-N618 HydrophobicContact CB-CB 4.15Å; L597-N618 PolarHBondContact N-OD1 3.4Å; L615-N618 VanDerWaalsContact C-ND2 3.26Å; L615-N618 PolarHBondContact O-ND2 3.02Å; R616-N618 PolarHBondContact O-N 2.88Å; R616-N618 PolarHBondContact O-ND2 3.29Å; N618-L620 VanDerWaalsContact C-N 3.35Å; N618-L620 HydrophobicContact CB-CD1 4.49Å; N618-L620 HydrophobicContact CB-CG 4.05Å; N618-H642 PolarHBondContact N-O 2.82Å; N618-N643 VanDerWaalsContact CA-OD1 3.32Å; N618-N643 WeakPolarHBondContact CA-OD1 3.36Å; N618-N643 WeakPolarHBondContact CB-OD1 3.34Å; N618-N643 PolarHBondContact N-OD1 2.87Å; N618-N643 PolarHBondContact O-OD1 3.38Å
619N91.7Very high87.9Confident71 Ų7139.1 Ų39.138%0.3819%0.19SC..  trans-101.135178.5-79.2-28.3000111.6D596 L597 K621D596-N619 PolarHBondContact OD1-ND2 3.35Å; L597-N619 CarbonylContact O-C 3.58Å; L597-N619 WeakPolarHBondContact O-CA 3.42Å; L597-N619 PolarHBondContact O-N 3.15Å; L597-N619 VanDerWaalsContact O-N 3.08Å; N619-K621 PolarHBondContact O-N 3.43Å
620L91.4Very high87.2Confident0 Ų041.6 Ų41.60%020%0.2CC..  trans-67.9118.2-178.5-59.9172.9000109.8L597 R599 I600 L615 N618 L640 N643 N644 I645L597-L620 HydrophobicContact CB-CD2 4.13Å; L597-L620 WeakPolarHBondContact O-CD2 3.36Å; L597-L620 PolarHBondContact O-N 3.03Å; L597-L620 VanDerWaalsContact O-N 3.13Å; R599-L620 VanDerWaalsContact C-CD2 3.44Å; I600-L620 HydrophobicContact CG1-CD1 4.33Å; I600-L620 HydrophobicContact CG1-CD2 4.23Å; L615-L620 HydrophobicContact CB-CD1 4.03Å; L615-L620 HydrophobicContact CD1-CD1 4.17Å; N618-L620 VanDerWaalsContact C-N 3.35Å; N618-L620 HydrophobicContact CB-CD1 4.49Å; N618-L620 HydrophobicContact CB-CG 4.05Å; L620-L640 HydrophobicContact CD1-CD2 4.21Å; L620-N643 HydrophobicContact CB-CB 4.2Å; L620-N643 WeakPolarHBondContact CB-OD1 3.37Å; L620-N643 WeakPolarHBondContact CD1-OD1 3.27Å; L620-N643 WeakPolarHBondContact CG-OD1 3.37Å; L620-N643 PolarHBondContact N-OD1 3.4Å; L620-N643 VanDerWaalsContact N-OD1 3.14Å; L620-N644 CarbonylContact O-C 3.47Å; L620-N644 VanDerWaalsContact O-CA 3.31Å; L620-N644 WeakPolarHBondContact O-CA 3.34Å; L620-N644 PolarHBondContact O-N 3.04Å; L620-I645 HydrophobicContact CB-CG1 4.33Å; L620-I645 PolarHBondContact O-N 3.09Å
621K89.2Confident86.7Confident132 Ų13246.3 Ų46.357%0.57422%0.222SC*.  trans-95.8-35.2177.4-65.4-178-178.9177.90112.9N619 N644 A646N619-K621 PolarHBondContact O-N 3.43Å; K621-N644 WeakPolarHBondContact CA-O 3.3Å; K621-N644 HydrophobicContact CG-CB 4.34Å; K621-A646 PolarHBondContact O-N 3.01Å
622T85Confident86.2Confident37 Ų3743 Ų4323%0.22721%0.206CC..  trans-131.7147.8-177.556.70000108.9
623V84.5Confident85.5Confident2 Ų247.8 Ų47.81%0.01223%0.229CC..  trans-122.832176-69.80000111I600 E625 I626 L640 I645 P649I600-V623 HydrophobicContact CD1-CB 4.46Å; I600-V623 HydrophobicContact CD1-CG1 4.13Å; V623-E625 PolarHBondContact O-N 3.14Å; V623-E625 VanDerWaalsContact O-N 3.14Å; V623-I626 HydrophobicContact CB-CD1 3.51Å; V623-I626 HydrophobicContact CB-CG1 4.03Å; V623-I626 HydrophobicContact CG2-CD1 3.44Å; V623-I626 VanDerWaalsContact CG2-CD1 3.44Å; V623-I626 HydrophobicContact CG2-CG1 4.45Å; V623-I626 WeakPolarHBondContact O-CB 3.43Å; V623-I626 VanDerWaalsContact O-CD1 3.28Å; V623-I626 WeakPolarHBondContact O-CD1 3.43Å; V623-I626 WeakPolarHBondContact O-CG1 3.36Å; V623-I626 PolarHBondContact O-N 2.82Å; V623-L640 HydrophobicContact CG1-CD1 4.29Å; V623-I645 HydrophobicContact CG1-CD1 3.67Å; V623-I645 HydrophobicContact CG1-CG1 3.98Å; V623-I645 HydrophobicContact CG1-CG2 4.38Å; V623-I645 HydrophobicContact CG2-CG2 3.93Å; V623-P649 HydrophobicContact CG2-CG 4.42Å; V623-P649 WeakPolarHBondContact O-CG 3.48Å
624E81.3Confident85.2Confident99 Ų9951 Ų5146%0.46325%0.246SC..G310 helixtrans-59.7-25.3179.2-63.7-165.6148.500112.5I626 I627 Y647E624-I626 PolarHBondContact O-N 3.44Å; E624-I627 VanDerWaalsContact O-CD1 3.31Å; E624-I627 WeakPolarHBondContact O-CD1 3.23Å; E624-I627 WeakPolarHBondContact O-CG1 3.35Å; E624-I627 PolarHBondContact O-N 2.86Å; E624-I627 VanDerWaalsContact O-N 3.15Å; E624-Y647 HydrophobicContact CG-CE2 4.48Å; E624-Y647 PolarHBondContact OE1-OH 3Å
625E81.8Confident85.1Confident22 Ų2251 Ų5110%0.10325%0.246CC..G310 helixtrans-65.4-8.8175.3-56.185.917000113.2R599 I600 F605 V623 I627 S628R599-E625 WeakPolarHBondContact CD-OE1 3.22Å; I600-E625 HydrophobicContact CB-CB 4.31Å; F605-E625 HydrophobicContact CE2-CB 4.03Å; F605-E625 HydrophobicContact CZ-CB 3.63Å; F605-E625 VanDerWaalsContact CZ-O 3.29Å; F605-E625 WeakPolarHBondContact CZ-O 3.4Å; V623-E625 PolarHBondContact O-N 3.14Å; V623-E625 VanDerWaalsContact O-N 3.14Å; E625-I627 PolarHBondContact O-N 3.19Å; E625-I627 VanDerWaalsContact O-N 3.09Å; E625-S628 WeakPolarHBondContact O-CB 3.21Å; E625-S628 PolarHBondContact O-N 2.9Å
626I78.3Confident85.1Confident4 Ų452.3 Ų52.32%0.02126%0.255CS..G310 helixtrans-51.4-27.4166.7-74.6166.8000111.9V623 E624 S628 F629 P649 Q651 I652V623-I626 HydrophobicContact CB-CD1 3.51Å; V623-I626 HydrophobicContact CB-CG1 4.03Å; V623-I626 HydrophobicContact CG2-CD1 3.44Å; V623-I626 VanDerWaalsContact CG2-CD1 3.44Å; V623-I626 HydrophobicContact CG2-CG1 4.45Å; V623-I626 WeakPolarHBondContact O-CB 3.43Å; V623-I626 VanDerWaalsContact O-CD1 3.28Å; V623-I626 WeakPolarHBondContact O-CD1 3.43Å; V623-I626 WeakPolarHBondContact O-CG1 3.36Å; V623-I626 PolarHBondContact O-N 2.82Å; E624-I626 PolarHBondContact O-N 3.44Å; I626-S628 PolarHBondContact O-N 3.13Å; I626-S628 VanDerWaalsContact O-N 3.07Å; I626-F629 HydrophobicContact CB-CD2 3.86Å; I626-F629 HydrophobicContact CB-CE2 4.24Å; I626-F629 HydrophobicContact CG1-CD2 3.57Å; I626-F629 HydrophobicContact CG1-CE2 3.47Å; I626-F629 VanDerWaalsContact CG1-CE2 3.47Å; I626-F629 HydrophobicContact CG2-CD2 3.9Å; I626-F629 VanDerWaalsContact O-CB 3.24Å; I626-F629 WeakPolarHBondContact O-CB 3.14Å; I626-F629 PolarHBondContact O-N 2.94Å; I626-P649 HydrophobicContact CB-CG 3.84Å; I626-P649 HydrophobicContact CD1-CG 3.76Å; I626-P649 HydrophobicContact CG1-CG 4.32Å; I626-P649 HydrophobicContact CG2-CG 4.15Å; I626-Q651 HydrophobicContact CG2-CB 4.38Å; I626-I652 HydrophobicContact CD1-CD1 4.1Å; I626-I652 HydrophobicContact CG2-CB 4.39Å; I626-I652 HydrophobicContact CG2-CD1 4.25Å
627I75Confident85.2Confident85 Ų8549.5 Ų49.544%0.43625%0.246SC..G310 helixtrans-52.2-34.3173.4-60.7161.4000111.1E624 E625 F629 Q630 Q651E624-I627 VanDerWaalsContact O-CD1 3.31Å; E624-I627 WeakPolarHBondContact O-CD1 3.23Å; E624-I627 WeakPolarHBondContact O-CG1 3.35Å; E624-I627 PolarHBondContact O-N 2.86Å; E624-I627 VanDerWaalsContact O-N 3.15Å; E625-I627 PolarHBondContact O-N 3.19Å; E625-I627 VanDerWaalsContact O-N 3.09Å; I627-F629 VanDerWaalsContact C-N 3.33Å; I627-Q630 WeakPolarHBondContact O-CG 3.34Å; I627-Q651 HydrophobicContact CB-CG 4.48Å; I627-Q651 HydrophobicContact CG1-CB 4.18Å; I627-Q651 HydrophobicContact CG1-CG 3.81Å
628S81.8Confident85.3Confident33 Ų3345.4 Ų45.423%0.23123%0.227CC..G310 helixtrans-82.1-7.3179.3-57.40000113.7F605 E625 I626 Q630 H631F605-S628 VanDerWaalsContact CD2-CB 3.49Å; F605-S628 VanDerWaalsContact CG-CB 3.49Å; E625-S628 WeakPolarHBondContact O-CB 3.21Å; E625-S628 PolarHBondContact O-N 2.9Å; I626-S628 PolarHBondContact O-N 3.13Å; I626-S628 VanDerWaalsContact O-N 3.07Å; S628-Q630 PolarHBondContact O-N 2.75Å; S628-H631 PolarHBondContact O-CD2 3.36Å; S628-H631 PolarHBondContact O-N 3.37Å
629F78.6Confident85.4Confident2 Ų247.3 Ų47.31%0.00924%0.235CC..G310 helixtrans-68.8-11.9175.1-74.2-31.2000114I600 F605 L613 I626 I627 H631 L632 L638 L655I600-F629 HydrophobicContact CD1-CZ 4.13Å; F605-F629 AromaticContact CD1-CD1 3.66Å; F605-F629 HydrophobicContact CD1-CD1 3.66Å; F605-F629 AromaticContact CD1-CE1 3.97Å; F605-F629 HydrophobicContact CD1-CE1 3.97Å; F605-F629 AromaticContact CE1-CD1 3.35Å; F605-F629 HydrophobicContact CE1-CD1 3.35Å; F605-F629 AromaticContact CE1-CE1 3.38Å; F605-F629 HydrophobicContact CE1-CE1 3.38Å; F605-F629 HydrophobicContact CE1-CG 4.25Å; F605-F629 HydrophobicContact CE1-CZ 4.29Å; F605-F629 HydrophobicContact CZ-CE1 4.43Å; L613-F629 HydrophobicContact CD2-CE1 3.88Å; L613-F629 HydrophobicContact CD2-CZ 3.85Å; I626-F629 HydrophobicContact CB-CD2 3.86Å; I626-F629 HydrophobicContact CB-CE2 4.24Å; I626-F629 HydrophobicContact CG1-CD2 3.57Å; I626-F629 HydrophobicContact CG1-CE2 3.47Å; I626-F629 VanDerWaalsContact CG1-CE2 3.47Å; I626-F629 HydrophobicContact CG2-CD2 3.9Å; I626-F629 VanDerWaalsContact O-CB 3.24Å; I626-F629 WeakPolarHBondContact O-CB 3.14Å; I626-F629 PolarHBondContact O-N 2.94Å; I627-F629 VanDerWaalsContact C-N 3.33Å; F629-H631 PolarHBondContact O-N 3.11Å; F629-L632 HydrophobicContact CD1-CD1 3.42Å; F629-L632 VanDerWaalsContact CD1-CD1 3.42Å; F629-L632 HydrophobicContact CD1-CG 4.16Å; F629-L632 HydrophobicContact CE1-CD1 3.7Å; F629-L632 PolarHBondContact O-N 2.72Å; F629-L638 HydrophobicContact CE2-CD1 4.4Å; F629-L638 HydrophobicContact CE2-CD2 3.95Å; F629-L638 HydrophobicContact CZ-CD1 4.3Å; F629-L655 HydrophobicContact CB-CD1 4.39Å; F629-L655 HydrophobicContact CB-CD2 3.71Å; F629-L655 HydrophobicContact CB-CG 4.23Å; F629-L655 HydrophobicContact CD2-CD1 3.99Å; F629-L655 HydrophobicContact CG-CD2 4.47Å
630Q73.7Confident85.6Confident113 Ų11344 Ų4453%0.52822%0.217SC..G310 helixtrans-52.6-24.3166.466.4-179-6.800113.2I627 S628I627-Q630 WeakPolarHBondContact O-CG 3.34Å; S628-Q630 PolarHBondContact O-N 2.75Å
631H81.1Confident85.7Confident100 Ų10047.2 Ų47.246%0.46323%0.229SC..G310 helixtrans-81.4-19.7176.8-58.5-55.9000113.2S628 F629 Q633S628-H631 PolarHBondContact O-CD2 3.36Å; S628-H631 PolarHBondContact O-N 3.37Å; F629-H631 PolarHBondContact O-N 3.11Å; H631-Q633 PolarHBondContact O-N 2.84Å
632L84Confident85.9Confident2 Ų244.3 Ų44.31%0.0122%0.218CC..  trans-93.965.6179.4-59.4-173.7000111F605 L607 L610 F629 N634 L635F605-L632 HydrophobicContact CD1-CD1 4.47Å; L607-L632 WeakPolarHBondContact O-CD2 2.92Å; L610-L632 HydrophobicContact CB-CD2 4.48Å; L610-L632 HydrophobicContact CD2-CD1 4.25Å; F629-L632 HydrophobicContact CD1-CD1 3.42Å; F629-L632 VanDerWaalsContact CD1-CD1 3.42Å; F629-L632 HydrophobicContact CD1-CG 4.16Å; F629-L632 HydrophobicContact CE1-CD1 3.7Å; F629-L632 PolarHBondContact O-N 2.72Å; L632-N634 PolarHBondContact O-N 2.95Å; L632-N634 VanDerWaalsContact O-N 3.12Å; L632-L635 HydrophobicContact CB-CB 4.18Å; L632-L635 WeakPolarHBondContact O-CB 3.39Å; L632-L635 PolarHBondContact O-N 2.8Å
633Q80.3Confident86.3Confident143 Ų14342.8 Ų42.867%0.66821%0.208SC*.THydrogen-bonded Turntrans-63.7-21.8-173.4-63.4-169.4-7.800114H631 N657H631-Q633 PolarHBondContact O-N 2.84Å; Q633-N657 PolarHBondContact O-ND2 3.48Å
634N87.8Confident86.8Confident66 Ų6646 Ų4635%0.35323%0.225SC..THydrogen-bonded Turntrans-96.32.1-176.5-70.8-20.9000114.2N608 L610 H611 L632 S636N608-N634 PolarHBondContact O-ND2 3Å; L610-N634 CarbonylContact O-C 3.29Å; L610-N634 VanDerWaalsContact O-C 3.25Å; H611-N634 WeakPolarHBondContact CA-O 3.42Å; H611-N634 PolarHBondContact ND1-O 3.01Å; L632-N634 PolarHBondContact O-N 2.95Å; L632-N634 VanDerWaalsContact O-N 3.12Å; N634-S636 PolarHBondContact O-N 2.87Å
635L91.3Very high87.4Confident1 Ų141.3 Ų41.31%0.00520%0.203CC..  trans-68116.4-176.6-16974.8000110.3L610 L613 L632 L638 L655 N657L610-L635 HydrophobicContact CD2-CD1 4.32Å; L610-L635 HydrophobicContact CG-CD1 4.41Å; L610-L635 WeakPolarHBondContact O-CA 3.28Å; L610-L635 PolarHBondContact O-N 2.95Å; L613-L635 HydrophobicContact CB-CD1 3.9Å; L632-L635 HydrophobicContact CB-CB 4.18Å; L632-L635 WeakPolarHBondContact O-CB 3.39Å; L632-L635 PolarHBondContact O-N 2.8Å; L635-L638 HydrophobicContact CD2-CB 4.39Å; L635-L655 HydrophobicContact CD2-CD1 4.28Å; L635-L655 HydrophobicContact CD2-CD2 4.22Å; L635-N657 CarbonylContact O-C 3.57Å
636S93.7Very high87.9Confident28 Ų2842.5 Ų42.520%0.19622%0.217CC..  trans-111.1-24.7178.462.80000112.8H611 N634 N657 E659 Q660H611-S636 PolarHBondContact O-N 3.32Å; H611-S636 PolarHBondContact O-OG 3.1Å; N634-S636 PolarHBondContact O-N 2.87Å; S636-N657 WeakPolarHBondContact CA-O 3.46Å; S636-E659 WeakPolarHBondContact O-CA 3.26Å; S636-E659 WeakPolarHBondContact O-CB 3.43Å; S636-E659 PolarHBondContact O-N 3.2Å; S636-Q660 PolarHBondContact O-N 3.19Å
637C95.3Very high88.4Confident8 Ų847 Ų475%0.05424%0.235CC..EExtended strand (participates in β ladder)trans-129.7120.7-178.5-174.40000110.9H611 E612 L613 K639 Q660H611-C637 PolarHBondContact O-N 2.96Å; E612-C637 WeakPolarHBondContact CA-O 3.37Å; E612-C637 HydrophobicContact CB-CB 4.19Å; E612-C637 HydrophobicContact CG-CB 4.03Å; L613-C637 PolarHBondContact N-O 2.94Å; C637-K639 VanDerWaalsContact SG-CE 3.54Å; C637-Q660 WeakPolarHBondContact CA-O 3.47Å; C637-Q660 HydrophobicContact CB-CB 4.31Å
638L93.9Very high89.1Confident0 Ų043.5 Ų43.50%022%0.217CC..EExtended strand (participates in β ladder)trans-124.3116.4176.8-179.360.4000109.9L613 F629 L635 L640 I652 L655 L658 Q660 L661 S662L613-L638 HydrophobicContact CB-CD1 4.13Å; L613-L638 HydrophobicContact CD2-CD1 3.99Å; L613-L638 HydrophobicContact CG-CD1 4.19Å; F629-L638 HydrophobicContact CE2-CD1 4.4Å; F629-L638 HydrophobicContact CE2-CD2 3.95Å; F629-L638 HydrophobicContact CZ-CD1 4.3Å; L635-L638 HydrophobicContact CD2-CB 4.39Å; L638-L640 HydrophobicContact CD1-CD1 4.19Å; L638-L640 HydrophobicContact CD1-CD2 4.12Å; L638-L640 HydrophobicContact CD1-CG 3.98Å; L638-L640 HydrophobicContact CD2-CD1 3.97Å; L638-L640 HydrophobicContact CG-CD1 4Å; L638-L640 HydrophobicContact CG-CG 4Å; L638-I652 HydrophobicContact CD2-CD1 4.37Å; L638-L655 HydrophobicContact CD2-CD1 4.35Å; L638-L658 HydrophobicContact CB-CD1 3.8Å; L638-Q660 PolarHBondContact N-O 3.5Å; L638-L661 HydrophobicContact CB-CD1 4.06Å; L638-L661 HydrophobicContact CD2-CD1 4Å; L638-L661 HydrophobicContact CG-CD1 4.08Å; L638-L661 WeakPolarHBondContact O-CA 3.36Å; L638-S662 PolarHBondContact O-N 3.35Å
639K94.9Very high89.5Confident45 Ų4542.5 Ų42.520%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-116.7116.8-179.4-66.1168177.7162.60109.6E612 L613 D614 L615 C637E612-K639 IonicContact OE1-NZ 3.83Å; E612-K639 PolarHBondContact OE1-NZ 3.43Å; L613-K639 PolarHBondContact O-N 3.43Å; D614-K639 HydrophobicContact CB-CB 4.13Å; D614-K639 HydrophobicContact CB-CD 4.2Å; L615-K639 PolarHBondContact N-O 2.89Å; C637-K639 VanDerWaalsContact SG-CE 3.54Å
640L93.9Very high89.9Confident2 Ų244.3 Ų44.31%0.0122%0.224CC..  trans-132.124.2-174.9-64.6177.7000112L615 L620 V623 L638 N643 I645 S662 L663 N666L615-L640 HydrophobicContact CB-CD2 3.86Å; L615-L640 HydrophobicContact CD1-CD2 3.92Å; L615-L640 HydrophobicContact CG-CD2 4.21Å; L620-L640 HydrophobicContact CD1-CD2 4.21Å; V623-L640 HydrophobicContact CG1-CD1 4.29Å; L638-L640 HydrophobicContact CD1-CD1 4.19Å; L638-L640 HydrophobicContact CD1-CD2 4.12Å; L638-L640 HydrophobicContact CD1-CG 3.98Å; L638-L640 HydrophobicContact CD2-CD1 3.97Å; L638-L640 HydrophobicContact CG-CD1 4Å; L638-L640 HydrophobicContact CG-CG 4Å; L640-N643 PolarHBondContact O-ND2 3.4Å; L640-N643 VanDerWaalsContact O-ND2 3.07Å; L640-I645 HydrophobicContact CB-CD1 3.94Å; L640-I645 HydrophobicContact CD1-CD1 4.3Å; L640-S662 PolarHBondContact N-O 2.86Å; L640-L663 HydrophobicContact CB-CD2 3.77Å; L640-L663 HydrophobicContact CD1-CD2 4.03Å; L640-L663 HydrophobicContact CG-CD2 4.49Å; L640-N666 PolarHBondContact O-ND2 3.03Å
641W93.4Very high90.5Very high67 Ų6743 Ų4325%0.25422%0.218SC..  trans-74.7159.3-176.561.3-61.4000113.9R616 E617 N643 D664R616-W641 WeakPolarHBondContact CA-O 3.39Å; R616-W641 HydrophobicContact CB-CD2 4.21Å; R616-W641 HydrophobicContact CB-CG 4.04Å; R616-W641 HydrophobicContact CB-CZ2 4.49Å; R616-W641 VanDerWaalsContact CB-NE1 3.31Å; R616-W641 HydrophobicContact CG-CZ2 4.5Å; E617-W641 PolarHBondContact N-O 3.35Å; W641-N643 PolarHBondContact O-ND2 3.2Å; W641-N643 VanDerWaalsContact O-ND2 3.08Å; W641-D664 CarbonylContact C-O 3.27Å; W641-D664 WeakPolarHBondContact CA-O 3.34Å; W641-D664 HydrophobicContact CB-CB 4.43Å; W641-D664 WeakPolarHBondContact CB-O 3.02Å; W641-D664 WeakPolarHBondContact CB-OD1 3.24Å
642H93.9Very high90.8Very high72 Ų7238.3 Ų38.333%0.33320%0.197SC..SBendtrans5158.1-171.5-72-61.5000112.3E617 N618 D664 H665E617-H642 WeakPolarHBondContact CA-O 3.27Å; E617-H642 HydrophobicContact CG-CB 4.02Å; E617-H642 PolarHBondContact N-O 2.71Å; N618-H642 PolarHBondContact N-O 2.82Å; H642-D664 PolarHBondContact N-O 2.95Å; H642-H665 WeakPolarHBondContact CA-O 3.32Å; H642-H665 AromaticContact CE1-CD2 3.5Å; H642-H665 PolarHBondContact CE1-CD2 3.17Å; H642-H665 VanDerWaalsContact CE1-CD2 3.5Å; H642-H665 AromaticContact CE1-CE1 3.64Å; H642-H665 AromaticContact CE1-CG 3.27Å; H642-H665 AromaticContact CE1-ND1 3.38Å; H642-H665 PolarHBondContact CE1-ND1 2.98Å; H642-H665 AromaticContact CE1-NE2 3.72Å; H642-H665 PolarHBondContact N-O 3.48Å; H642-H665 VanDerWaalsContact ND1-CB 3.29Å; H642-H665 WeakPolarHBondContact ND1-CB 3.41Å; H642-H665 AromaticContact ND1-CD2 3.86Å; H642-H665 AromaticContact ND1-CG 3.43Å; H642-H665 AromaticContact ND1-ND1 3.9Å; H642-H665 AromaticContact NE2-ND1 3.8Å
643N94.6Very high90.7Very high5 Ų538.9 Ų38.93%0.02720%0.203CC..SBendtrans-131.1-172.9174.6-83.3-84.5000109.5L615 N618 L620 L640 W641 I645 H665 N666L615-N643 PolarHBondContact O-ND2 2.94Å; N618-N643 VanDerWaalsContact CA-OD1 3.32Å; N618-N643 WeakPolarHBondContact CA-OD1 3.36Å; N618-N643 WeakPolarHBondContact CB-OD1 3.34Å; N618-N643 PolarHBondContact N-OD1 2.87Å; N618-N643 PolarHBondContact O-OD1 3.38Å; L620-N643 HydrophobicContact CB-CB 4.2Å; L620-N643 WeakPolarHBondContact CB-OD1 3.37Å; L620-N643 WeakPolarHBondContact CD1-OD1 3.27Å; L620-N643 WeakPolarHBondContact CG-OD1 3.37Å; L620-N643 PolarHBondContact N-OD1 3.4Å; L620-N643 VanDerWaalsContact N-OD1 3.14Å; L640-N643 PolarHBondContact O-ND2 3.4Å; L640-N643 VanDerWaalsContact O-ND2 3.07Å; W641-N643 PolarHBondContact O-ND2 3.2Å; W641-N643 VanDerWaalsContact O-ND2 3.08Å; N643-I645 HydrophobicContact CB-CD1 4.16Å; N643-I645 HydrophobicContact CB-CG1 4.05Å; N643-H665 PolarHBondContact N-O 2.86Å; N643-H665 VanDerWaalsContact O-O 3.05Å; N643-N666 WeakPolarHBondContact CA-OD1 3.35Å; N643-N666 WeakPolarHBondContact CB-OD1 3.44Å; N643-N666 PolarHBondContact O-OD1 3.38Å
644N94.1Very high91Very high69 Ų6935 Ų3537%0.36920%0.196SC..  trans-114.734.2179.6-70-39.4000111.9L620 K621 A646L620-N644 CarbonylContact O-C 3.47Å; L620-N644 VanDerWaalsContact O-CA 3.31Å; L620-N644 WeakPolarHBondContact O-CA 3.34Å; L620-N644 PolarHBondContact O-N 3.04Å; K621-N644 WeakPolarHBondContact CA-O 3.3Å; K621-N644 HydrophobicContact CG-CB 4.34Å; N644-A646 PolarHBondContact O-N 3.3Å
645I94.4Very high90.9Very high0 Ų032.2 Ų32.20%018%0.181CC..  trans-70.9123.7-173.5-59166.7000109.7L620 V623 L640 N643 Y647 L663 N666 N667 I668L620-I645 HydrophobicContact CB-CG1 4.33Å; L620-I645 PolarHBondContact O-N 3.09Å; V623-I645 HydrophobicContact CG1-CD1 3.67Å; V623-I645 HydrophobicContact CG1-CG1 3.98Å; V623-I645 HydrophobicContact CG1-CG2 4.38Å; V623-I645 HydrophobicContact CG2-CG2 3.93Å; L640-I645 HydrophobicContact CB-CD1 3.94Å; L640-I645 HydrophobicContact CD1-CD1 4.3Å; N643-I645 HydrophobicContact CB-CD1 4.16Å; N643-I645 HydrophobicContact CB-CG1 4.05Å; I645-Y647 WeakPolarHBondContact CG2-O 3.45Å; I645-L663 HydrophobicContact CD1-CD2 4.18Å; I645-N666 HydrophobicContact CB-CB 4.31Å; I645-N666 VanDerWaalsContact CB-OD1 3.29Å; I645-N666 WeakPolarHBondContact CB-OD1 3.45Å; I645-N666 VanDerWaalsContact CG1-OD1 3.3Å; I645-N666 WeakPolarHBondContact CG1-OD1 3.25Å; I645-N666 PolarHBondContact N-OD1 3.01Å; I645-N667 CarbonylContact O-C 3.27Å; I645-N667 WeakPolarHBondContact O-CA 3.44Å; I645-N667 PolarHBondContact O-N 3.49Å; I645-I668 HydrophobicContact CG2-CG1 4.39Å; I645-I668 WeakPolarHBondContact O-CG1 3.42Å; I645-I668 PolarHBondContact O-N 3.26Å
646A91.6Very high90.5Very high48 Ų4835.4 Ų35.440%0.39720%0.203SC..  trans-90.5-33.3-178.600000114.1K621 N644 I668K621-A646 PolarHBondContact O-N 3.01Å; N644-A646 PolarHBondContact O-N 3.3Å; A646-I668 WeakPolarHBondContact O-CA 3.47Å
647Y89.7Confident90.3Very high99 Ų9936.6 Ų36.639%0.38821%0.207SC..  trans-150.6155.917864.3-87000111.5E624 I645E624-Y647 HydrophobicContact CG-CE2 4.48Å; E624-Y647 PolarHBondContact OE1-OH 3Å; I645-Y647 WeakPolarHBondContact CG2-O 3.45Å
648I90.1Very high90.2Very high11 Ų1136.2 Ų36.26%0.05621%0.205CC..  trans-101.8127.3174-50.5167.5000108.2I652 L663 I668 L671 P672I648-I652 HydrophobicContact CG2-CB 3.92Å; I648-I652 HydrophobicContact CG2-CG1 4.22Å; I648-I652 HydrophobicContact CG2-CG2 3.91Å; I648-L663 HydrophobicContact CD1-CD1 3.48Å; I648-L663 VanDerWaalsContact CD1-CD1 3.48Å; I648-L663 HydrophobicContact CG1-CD1 4.23Å; I648-I668 HydrophobicContact CD1-CD1 4.17Å; I648-I668 HydrophobicContact CG1-CD1 4.12Å; I648-L671 HydrophobicContact CD1-CD2 3.89Å; I648-P672 HydrophobicContact CB-CG 3.91Å; I648-P672 HydrophobicContact CG2-CG 3.97Å; I648-P672 WeakPolarHBondContact O-CG 3.37Å
649P89.4Confident90.2Very high11 Ų1140 Ų407%0.07122%0.222CC..  trans-71.8149.4177.829.7-36000111.8V623 I626 Q651 I652V623-P649 HydrophobicContact CG2-CG 4.42Å; V623-P649 WeakPolarHBondContact O-CG 3.48Å; I626-P649 HydrophobicContact CB-CG 3.84Å; I626-P649 HydrophobicContact CD1-CG 3.76Å; I626-P649 HydrophobicContact CG1-CG 4.32Å; I626-P649 HydrophobicContact CG2-CG 4.15Å; P649-Q651 PolarHBondContact O-N 3.37Å; P649-I652 WeakPolarHBondContact O-CG2 3.46Å; P649-I652 PolarHBondContact O-N 3.19Å; P649-I652 VanDerWaalsContact O-N 3.12Å
650A86.8Confident90.3Very high40 Ų4041 Ų4133%0.33123%0.227SC..G310 helixtrans-57.2-22.8-179.800000113.7I652 G653 Q674A650-I652 PolarHBondContact O-N 3.49Å; A650-G653 PolarHBondContact O-N 3.24Å; A650-Q674 HydrophobicContact CB-CB 4.47Å; A650-Q674 HydrophobicContact CB-CG 4.04Å; A650-Q674 WeakPolarHBondContact O-CB 3.21Å; A650-Q674 WeakPolarHBondContact O-CG 3.48Å
651Q86.6Confident90.3Very high85 Ų8540.9 Ų40.940%0.39723%0.227SC..G310 helixtrans-69.7-8.6179.9-65.582.3-0.500113.8I626 I627 P649 G653 A654I626-Q651 HydrophobicContact CG2-CB 4.38Å; I627-Q651 HydrophobicContact CB-CG 4.48Å; I627-Q651 HydrophobicContact CG1-CB 4.18Å; I627-Q651 HydrophobicContact CG1-CG 3.81Å; P649-Q651 PolarHBondContact O-N 3.37Å; Q651-G653 PolarHBondContact O-N 3.3Å; Q651-A654 VanDerWaalsContact O-CB 3.26Å; Q651-A654 WeakPolarHBondContact O-CB 3.27Å; Q651-A654 PolarHBondContact O-N 3.23Å
652I86.8Confident90.4Very high2 Ų238.2 Ų38.21%0.0122%0.218CC..G310 helixtrans-54.9-32.2171.2-166.173.9000111.9I626 L638 I648 P649 A650 A654 L655 P672 L675I626-I652 HydrophobicContact CD1-CD1 4.1Å; I626-I652 HydrophobicContact CG2-CB 4.39Å; I626-I652 HydrophobicContact CG2-CD1 4.25Å; L638-I652 HydrophobicContact CD2-CD1 4.37Å; I648-I652 HydrophobicContact CG2-CB 3.92Å; I648-I652 HydrophobicContact CG2-CG1 4.22Å; I648-I652 HydrophobicContact CG2-CG2 3.91Å; P649-I652 WeakPolarHBondContact O-CG2 3.46Å; P649-I652 PolarHBondContact O-N 3.19Å; P649-I652 VanDerWaalsContact O-N 3.12Å; A650-I652 PolarHBondContact O-N 3.49Å; I652-A654 PolarHBondContact O-N 3.05Å; I652-A654 VanDerWaalsContact O-N 3.1Å; I652-L655 HydrophobicContact CD1-CD1 3.77Å; I652-L655 WeakPolarHBondContact O-CB 3.32Å; I652-L655 PolarHBondContact O-N 3.21Å; I652-P672 HydrophobicContact CG2-CG 4.05Å; I652-L675 HydrophobicContact CG1-CD1 3.85Å; I652-L675 HydrophobicContact CG2-CB 4.11Å; I652-L675 HydrophobicContact CG2-CD1 4.01Å
653G83.3Confident90.5Very high15 Ų1535 Ų3516%0.15520%0.203CC..G310 helixtrans-64.6-12.6177.300000114.7A650 Q651 L655 Q674A650-G653 PolarHBondContact O-N 3.24Å; Q651-G653 PolarHBondContact O-N 3.3Å; G653-L655 PolarHBondContact O-N 2.99Å; G653-Q674 WeakPolarHBondContact CA-O 3.36Å
654A84.7Confident90.4Very high61 Ų6135.5 Ų35.550%0.50421%0.206SC..G310 helixtrans-70.7-19.5171.800000112.7Q651 I652 S656Q651-A654 VanDerWaalsContact O-CB 3.26Å; Q651-A654 WeakPolarHBondContact O-CB 3.27Å; Q651-A654 PolarHBondContact O-N 3.23Å; I652-A654 PolarHBondContact O-N 3.05Å; I652-A654 VanDerWaalsContact O-N 3.1Å; A654-S656 VanDerWaalsContact C-N 3.27Å; A654-S656 PolarHBondContact O-N 3.45Å
655L86.1Confident90.5Very high8 Ų835.3 Ų35.34%0.04220%0.203CC..  trans-80.767177.9-67177.5000111.7F629 L635 L638 I652 G653 N657 L658 C678F629-L655 HydrophobicContact CB-CD1 4.39Å; F629-L655 HydrophobicContact CB-CD2 3.71Å; F629-L655 HydrophobicContact CB-CG 4.23Å; F629-L655 HydrophobicContact CD2-CD1 3.99Å; F629-L655 HydrophobicContact CG-CD2 4.47Å; L635-L655 HydrophobicContact CD2-CD1 4.28Å; L635-L655 HydrophobicContact CD2-CD2 4.22Å; L638-L655 HydrophobicContact CD2-CD1 4.35Å; I652-L655 HydrophobicContact CD1-CD1 3.77Å; I652-L655 WeakPolarHBondContact O-CB 3.32Å; I652-L655 PolarHBondContact O-N 3.21Å; G653-L655 PolarHBondContact O-N 2.99Å; L655-N657 PolarHBondContact O-N 3.48Å; L655-L658 HydrophobicContact CB-CB 4.12Å; L655-L658 HydrophobicContact CD1-CD2 4.37Å; L655-L658 WeakPolarHBondContact O-CB 3.34Å; L655-L658 PolarHBondContact O-N 2.9Å; L655-C678 PolarHBondContact O-SG 3.4Å
656S83.8Confident90.6Very high67 Ų6735.5 Ų35.547%0.46920%0.204SC..THydrogen-bonded Turntrans-67.3-17.6-177.859.80000114.6A654A654-S656 VanDerWaalsContact C-N 3.27Å; A654-S656 PolarHBondContact O-N 3.45Å
657N89.9Confident90.7Very high54 Ų5436.3 Ų36.329%0.28920%0.202SC..THydrogen-bonded Turntrans-93.52.3177.6-73.9-33.2000114.2Q633 L635 S636 L655 E659 K680Q633-N657 PolarHBondContact O-ND2 3.48Å; L635-N657 CarbonylContact O-C 3.57Å; S636-N657 WeakPolarHBondContact CA-O 3.46Å; L655-N657 PolarHBondContact O-N 3.48Å; N657-E659 PolarHBondContact O-N 3.38Å; N657-K680 PolarHBondContact OD1-NZ 2.99Å
658L92.3Very high90.9Very high0 Ų031.6 Ų31.60%018%0.184CC..  trans-69.8126.6-179.6-16269.5000111L638 L655 L661 K680 L681L638-L658 HydrophobicContact CB-CD1 3.8Å; L655-L658 HydrophobicContact CB-CB 4.12Å; L655-L658 HydrophobicContact CD1-CD2 4.37Å; L655-L658 WeakPolarHBondContact O-CB 3.34Å; L655-L658 PolarHBondContact O-N 2.9Å; L658-L661 HydrophobicContact CD2-CB 4.03Å; L658-L661 HydrophobicContact CD2-CD1 4.29Å; L658-L661 HydrophobicContact CD2-CD2 4.33Å; L658-L661 HydrophobicContact CD2-CG 4.46Å; L658-K680 CarbonylContact O-C 3.6Å; L658-L681 HydrophobicContact CD2-CD1 4.37Å; L658-L681 WeakPolarHBondContact O-CA 3.39Å; L658-L681 PolarHBondContact O-N 3.49Å
659E94.7Very high91.1Very high80 Ų8036.8 Ų36.837%0.37421%0.207SC..  trans-109.5-35.6-179.4-69.2-177.6-179.700111.1S636 N657 K680 L681 H682 Y683S636-E659 WeakPolarHBondContact O-CA 3.26Å; S636-E659 WeakPolarHBondContact O-CB 3.43Å; S636-E659 PolarHBondContact O-N 3.2Å; N657-E659 PolarHBondContact O-N 3.38Å; E659-K680 HydrophobicContact CG-CB 4.39Å; E659-L681 CarbonylContact O-C 3.21Å; E659-L681 WeakPolarHBondContact O-CA 3.33Å; E659-H682 PolarHBondContact O-N 3.41Å; E659-H682 PolarHBondContact O-ND1 3.18Å; E659-Y683 PolarHBondContact O-N 2.94Å; E659-Y683 VanDerWaalsContact O-N 3.16Å
660Q95.8Very high91.1Very high64 Ų6440.2 Ų40.230%0.29923%0.225SC..EExtended strand (participates in β ladder)trans-130.8129.4-178.8-53.7-175.45.300111.2S636 C637 L638 H682 Y683S636-Q660 PolarHBondContact O-N 3.19Å; C637-Q660 WeakPolarHBondContact CA-O 3.47Å; C637-Q660 HydrophobicContact CB-CB 4.31Å; L638-Q660 PolarHBondContact N-O 3.5Å; Q660-H682 PolarHBondContact NE2-NE2 2.91Å; Q660-Y683 WeakPolarHBondContact CA-O 3.34Å
661L95.4Very high91.4Very high1 Ų139 Ų391%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-132.4120.4174.7-178.260.6000110.5L638 L658 L663 L675 L681 Y683 L684 D685L638-L661 HydrophobicContact CB-CD1 4.06Å; L638-L661 HydrophobicContact CD2-CD1 4Å; L638-L661 HydrophobicContact CG-CD1 4.08Å; L638-L661 WeakPolarHBondContact O-CA 3.36Å; L658-L661 HydrophobicContact CD2-CB 4.03Å; L658-L661 HydrophobicContact CD2-CD1 4.29Å; L658-L661 HydrophobicContact CD2-CD2 4.33Å; L658-L661 HydrophobicContact CD2-CG 4.46Å; L661-L663 HydrophobicContact CD1-CD1 4.07Å; L661-L663 HydrophobicContact CD1-CG 4.06Å; L661-L663 HydrophobicContact CD2-CD1 3.78Å; L661-L663 HydrophobicContact CG-CD1 3.88Å; L661-L663 HydrophobicContact CG-CG 4.14Å; L661-L675 HydrophobicContact CD2-CD1 3.54Å; L661-L681 HydrophobicContact CB-CD1 4.06Å; L661-L681 HydrophobicContact CD2-CD1 4.46Å; L661-Y683 PolarHBondContact N-O 3.36Å; L661-L684 HydrophobicContact CB-CD1 4.07Å; L661-L684 HydrophobicContact CD2-CD1 3.93Å; L661-L684 HydrophobicContact CG-CD1 4.16Å; L661-L684 WeakPolarHBondContact O-CA 3.38Å; L661-D685 PolarHBondContact O-N 2.68Å
662S95.4Very high91.6Very high10 Ų1035.9 Ų35.97%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-116.9119.2175-56.40000110L638 L640 Y683L638-S662 PolarHBondContact O-N 3.35Å; L640-S662 PolarHBondContact N-O 2.86Å; S662-Y683 WeakPolarHBondContact OG-CE1 3.37Å
663L94.5Very high91.8Very high4 Ų440 Ų402%0.02122%0.221CC..  trans-13124.2-179.3-74164.5000111.1L640 I645 I648 L661 N666 I668 D685 L686 N689L640-L663 HydrophobicContact CB-CD2 3.77Å; L640-L663 HydrophobicContact CD1-CD2 4.03Å; L640-L663 HydrophobicContact CG-CD2 4.49Å; I645-L663 HydrophobicContact CD1-CD2 4.18Å; I648-L663 HydrophobicContact CD1-CD1 3.48Å; I648-L663 VanDerWaalsContact CD1-CD1 3.48Å; I648-L663 HydrophobicContact CG1-CD1 4.23Å; L661-L663 HydrophobicContact CD1-CD1 4.07Å; L661-L663 HydrophobicContact CD1-CG 4.06Å; L661-L663 HydrophobicContact CD2-CD1 3.78Å; L661-L663 HydrophobicContact CG-CD1 3.88Å; L661-L663 HydrophobicContact CG-CG 4.14Å; L663-N666 PolarHBondContact O-ND2 3.32Å; L663-I668 HydrophobicContact CB-CD1 4.02Å; L663-I668 HydrophobicContact CD1-CD1 4.25Å; L663-I668 HydrophobicContact CD2-CD1 4.25Å; L663-I668 HydrophobicContact CG-CD1 4.43Å; L663-D685 PolarHBondContact N-O 3.34Å; L663-L686 HydrophobicContact CB-CD2 4.01Å; L663-L686 HydrophobicContact CD1-CD2 3.96Å; L663-N689 PolarHBondContact O-ND2 2.71Å
664D94.1Very high92.1Very high16 Ų1642.8 Ų42.89%0.08623%0.231CC..  trans-67.8154.5-178.867.5-84.3000112.5W641 H642 N666 S687W641-D664 CarbonylContact C-O 3.27Å; W641-D664 WeakPolarHBondContact CA-O 3.34Å; W641-D664 HydrophobicContact CB-CB 4.43Å; W641-D664 WeakPolarHBondContact CB-O 3.02Å; W641-D664 WeakPolarHBondContact CB-OD1 3.24Å; H642-D664 PolarHBondContact N-O 2.95Å; D664-N666 PolarHBondContact O-ND2 3.27Å; D664-S687 CarbonylContact C-O 3.59Å; D664-S687 WeakPolarHBondContact CA-O 3.47Å; D664-S687 WeakPolarHBondContact CB-O 3.38Å
665H95.2Very high92.4Very high65 Ų6539.9 Ų39.930%0.30121%0.207SC..SBendtrans52.460.8-176.3-61.788.3000112.5H642 N643 S687 Y688H642-H665 WeakPolarHBondContact CA-O 3.32Å; H642-H665 AromaticContact CE1-CD2 3.5Å; H642-H665 PolarHBondContact CE1-CD2 3.17Å; H642-H665 VanDerWaalsContact CE1-CD2 3.5Å; H642-H665 AromaticContact CE1-CE1 3.64Å; H642-H665 AromaticContact CE1-CG 3.27Å; H642-H665 AromaticContact CE1-ND1 3.38Å; H642-H665 PolarHBondContact CE1-ND1 2.98Å; H642-H665 AromaticContact CE1-NE2 3.72Å; H642-H665 PolarHBondContact N-O 3.48Å; H642-H665 VanDerWaalsContact ND1-CB 3.29Å; H642-H665 WeakPolarHBondContact ND1-CB 3.41Å; H642-H665 AromaticContact ND1-CD2 3.86Å; H642-H665 AromaticContact ND1-CG 3.43Å; H642-H665 AromaticContact ND1-ND1 3.9Å; H642-H665 AromaticContact NE2-ND1 3.8Å; N643-H665 PolarHBondContact N-O 2.86Å; N643-H665 VanDerWaalsContact O-O 3.05Å; H665-S687 PolarHBondContact N-O 3.37Å; H665-Y688 VanDerWaalsContact CA-O 3.28Å; H665-Y688 WeakPolarHBondContact CA-O 3.4Å; H665-Y688 AromaticContact CD2-CG 3.68Å; H665-Y688 AromaticContact CE1-CD2 3.29Å; H665-Y688 WeakPolarHBondContact CE1-CD2 3.47Å; H665-Y688 AromaticContact CE1-CE2 3.67Å; H665-Y688 AromaticContact CE1-CG 3.74Å; H665-Y688 PolarHBondContact N-O 3.45Å; H665-Y688 AromaticContact ND1-CD2 3.82Å; H665-Y688 AromaticContact NE2-CD1 3.79Å; H665-Y688 AromaticContact NE2-CD2 3.46Å; H665-Y688 WeakPolarHBondContact NE2-CD2 3.48Å; H665-Y688 AromaticContact NE2-CE2 3.81Å; H665-Y688 AromaticContact NE2-CG 3.46Å
666N95.7Very high92.6Very high4 Ų439.6 Ų39.62%0.02121%0.205CC..SBendtrans-131.3-175.4172.7-82.4-77.1000109.4L640 N643 I645 L663 D664 I668 Y688 N689L640-N666 PolarHBondContact O-ND2 3.03Å; N643-N666 WeakPolarHBondContact CA-OD1 3.35Å; N643-N666 WeakPolarHBondContact CB-OD1 3.44Å; N643-N666 PolarHBondContact O-OD1 3.38Å; I645-N666 HydrophobicContact CB-CB 4.31Å; I645-N666 VanDerWaalsContact CB-OD1 3.29Å; I645-N666 WeakPolarHBondContact CB-OD1 3.45Å; I645-N666 VanDerWaalsContact CG1-OD1 3.3Å; I645-N666 WeakPolarHBondContact CG1-OD1 3.25Å; I645-N666 PolarHBondContact N-OD1 3.01Å; L663-N666 PolarHBondContact O-ND2 3.32Å; D664-N666 PolarHBondContact O-ND2 3.27Å; N666-I668 HydrophobicContact CB-CD1 4.11Å; N666-I668 HydrophobicContact CB-CG1 4.03Å; N666-Y688 PolarHBondContact N-O 2.97Å; N666-Y688 VanDerWaalsContact O-O 3.07Å; N666-N689 WeakPolarHBondContact CA-OD1 3.45Å; N666-N689 WeakPolarHBondContact CB-OD1 3.38Å; N666-N689 PolarHBondContact O-OD1 3.18Å; N666-N689 VanDerWaalsContact O-OD1 3.12Å
667N94.7Very high92.8Very high66 Ų6641.4 Ų41.435%0.35321%0.209SC..  trans-112.437.4-178.7-59.5-38.7000111.3I645 E669I645-N667 CarbonylContact O-C 3.27Å; I645-N667 WeakPolarHBondContact O-CA 3.44Å; I645-N667 PolarHBondContact O-N 3.49Å; N667-E669 PolarHBondContact O-N 3.45Å
668I94.8Very high92.8Very high0 Ų038.8 Ų38.80%020%0.195CC..  trans-78.1124.1-173.1-56.5166.7000110I645 A646 I648 L663 N666 L671 N689 H690 L691I645-I668 HydrophobicContact CG2-CG1 4.39Å; I645-I668 WeakPolarHBondContact O-CG1 3.42Å; I645-I668 PolarHBondContact O-N 3.26Å; A646-I668 WeakPolarHBondContact O-CA 3.47Å; I648-I668 HydrophobicContact CD1-CD1 4.17Å; I648-I668 HydrophobicContact CG1-CD1 4.12Å; L663-I668 HydrophobicContact CB-CD1 4.02Å; L663-I668 HydrophobicContact CD1-CD1 4.25Å; L663-I668 HydrophobicContact CD2-CD1 4.25Å; L663-I668 HydrophobicContact CG-CD1 4.43Å; N666-I668 HydrophobicContact CB-CD1 4.11Å; N666-I668 HydrophobicContact CB-CG1 4.03Å; I668-L671 HydrophobicContact CG2-CD2 4.37Å; I668-N689 HydrophobicContact CB-CB 4.37Å; I668-N689 VanDerWaalsContact CB-OD1 3.3Å; I668-N689 WeakPolarHBondContact CB-OD1 3.42Å; I668-N689 WeakPolarHBondContact CG1-OD1 3.29Å; I668-N689 PolarHBondContact N-OD1 2.88Å; I668-H690 CarbonylContact O-C 3.56Å; I668-H690 VanDerWaalsContact O-C 3.27Å; I668-H690 WeakPolarHBondContact O-CA 3.23Å; I668-H690 PolarHBondContact O-N 3.35Å; I668-L691 HydrophobicContact CG2-CD2 3.93Å; I668-L691 PolarHBondContact O-N 3.34Å
669E92.6Very high92.7Very high119 Ų11942.1 Ų42.156%0.55622%0.215SC*.  trans-95-38.3177.9-65.9-179.7-177.800113N667 H690N667-E669 PolarHBondContact O-N 3.45Å; E669-H690 HydrophobicContact CG-CB 4.3Å
670N90.4Very high92.6Very high83 Ų8342.8 Ų42.844%0.44422%0.217SC..  trans-135.8143.2-174.8-65.6-67.1000111.6
671L92Very high92.5Very high15 Ų1539.8 Ų39.88%0.07920%0.203CC..  trans-96.6133.4174.4-60.1174000110.8I648 I668 L675 F676 L686 L691I648-L671 HydrophobicContact CD1-CD2 3.89Å; I668-L671 HydrophobicContact CG2-CD2 4.37Å; L671-L675 HydrophobicContact CD2-CD2 4.28Å; L671-F676 HydrophobicContact CD1-CZ 4.23Å; L671-L686 HydrophobicContact CD1-CD1 3.62Å; L671-L686 HydrophobicContact CD2-CD1 3.92Å; L671-L686 HydrophobicContact CD2-CD2 3.96Å; L671-L686 HydrophobicContact CG-CD1 4.4Å; L671-L691 HydrophobicContact CD1-CD1 4.26Å; L671-L691 HydrophobicContact CD2-CD1 4.35Å; L671-L691 HydrophobicContact CD2-CD2 4.01Å; L671-L691 HydrophobicContact CG-CD1 4.33Å; L671-L691 HydrophobicContact CG-CD2 3.83Å
672P91.6Very high92.5Very high19 Ų1941.8 Ų41.812%0.12321%0.212CC..  trans-72.5139.2174.230.4-34.6000110.6I648 I652 Q674 L675I648-P672 HydrophobicContact CB-CG 3.91Å; I648-P672 HydrophobicContact CG2-CG 3.97Å; I648-P672 WeakPolarHBondContact O-CG 3.37Å; I652-P672 HydrophobicContact CG2-CG 4.05Å; P672-Q674 PolarHBondContact O-N 3.33Å; P672-L675 HydrophobicContact CG-CB 4.31Å; P672-L675 VanDerWaalsContact O-CB 3.27Å; P672-L675 WeakPolarHBondContact O-CB 3.36Å; P672-L675 PolarHBondContact O-N 3.35Å
673L90.3Very high92.6Very high88 Ų8844.1 Ų44.146%0.46122%0.22SC..G310 helixtrans-56.8-28.1177.8-55.1-177.5000112.4L675 F676 P695 E697L673-L675 VanDerWaalsContact C-N 3.25Å; L673-L675 PolarHBondContact O-N 3.02Å; L673-F676 WeakPolarHBondContact O-CD2 2.86Å; L673-F676 PolarHBondContact O-N 3.41Å; L673-P695 HydrophobicContact CD2-CB 3.73Å; L673-P695 HydrophobicContact CD2-CG 4.04Å; L673-E697 HydrophobicContact CD2-CG 4.47Å; L673-E697 WeakPolarHBondContact CD2-OE2 3.31Å
674Q90.9Very high92.7Very high75 Ų7544 Ų4435%0.3522%0.219SC..G310 helixtrans-68.4-19.3179-65.679.6900113.7A650 G653 P672 F676 L677A650-Q674 HydrophobicContact CB-CB 4.47Å; A650-Q674 HydrophobicContact CB-CG 4.04Å; A650-Q674 WeakPolarHBondContact O-CB 3.21Å; A650-Q674 WeakPolarHBondContact O-CG 3.48Å; G653-Q674 WeakPolarHBondContact CA-O 3.36Å; P672-Q674 PolarHBondContact O-N 3.33Å; Q674-F676 PolarHBondContact O-N 3.32Å; Q674-L677 HydrophobicContact CB-CD1 4.15Å; Q674-L677 HydrophobicContact CG-CD1 4.24Å; Q674-L677 VanDerWaalsContact O-CB 3.31Å; Q674-L677 WeakPolarHBondContact O-CB 3.34Å; Q674-L677 PolarHBondContact O-N 3.28Å; Q674-L677 VanDerWaalsContact O-N 3.13Å
675L90.3Very high92.8Very high0 Ų043.9 Ų43.90%022%0.219CC..G310 helixtrans-57.2-36.7173.8-177.470.6000111.4I652 L661 L671 P672 L673 L677 C678I652-L675 HydrophobicContact CG1-CD1 3.85Å; I652-L675 HydrophobicContact CG2-CB 4.11Å; I652-L675 HydrophobicContact CG2-CD1 4.01Å; L661-L675 HydrophobicContact CD2-CD1 3.54Å; L671-L675 HydrophobicContact CD2-CD2 4.28Å; P672-L675 HydrophobicContact CG-CB 4.31Å; P672-L675 VanDerWaalsContact O-CB 3.27Å; P672-L675 WeakPolarHBondContact O-CB 3.36Å; P672-L675 PolarHBondContact O-N 3.35Å; L673-L675 VanDerWaalsContact C-N 3.25Å; L673-L675 PolarHBondContact O-N 3.02Å; L675-L677 PolarHBondContact O-N 3.29Å; L675-C678 WeakPolarHBondContact O-CB 3.32Å; L675-C678 PolarHBondContact O-N 3.17Å
676F89.8Confident92.8Very high1 Ų140.8 Ų40.80%0.00420%0.204CC..G310 helixtrans-76.3-3.1-177.2-53.3-71.5000113.6L671 L673 Q674 C678 P695 E697 I698 L701L671-F676 HydrophobicContact CD1-CZ 4.23Å; L673-F676 WeakPolarHBondContact O-CD2 2.86Å; L673-F676 PolarHBondContact O-N 3.41Å; Q674-F676 PolarHBondContact O-N 3.32Å; F676-C678 VanDerWaalsContact C-N 3.26Å; F676-P695 HydrophobicContact CD2-CB 4.49Å; F676-P695 HydrophobicContact CE2-CB 3.77Å; F676-P695 HydrophobicContact CE2-CG 3.7Å; F676-P695 HydrophobicContact CZ-CB 4.28Å; F676-P695 HydrophobicContact CZ-CG 4.11Å; F676-E697 HydrophobicContact CB-CB 3.88Å; F676-E697 WeakPolarHBondContact CB-O 3.37Å; F676-E697 HydrophobicContact CD2-CB 3.68Å; F676-E697 HydrophobicContact CG-CB 3.89Å; F676-I698 HydrophobicContact CD1-CB 3.95Å; F676-I698 HydrophobicContact CD1-CG1 4.25Å; F676-I698 HydrophobicContact CE1-CB 3.68Å; F676-I698 HydrophobicContact CE1-CD1 4.21Å; F676-I698 HydrophobicContact CE1-CG1 3.93Å; F676-I698 HydrophobicContact CZ-CB 4.46Å; F676-L701 HydrophobicContact CD1-CD1 3.8Å; F676-L701 HydrophobicContact CD1-CG 4.07Å; F676-L701 HydrophobicContact CE1-CD1 4.32Å
677L88.9Confident92.8Very high105 Ų10541 Ų4155%0.5521%0.206SC..G310 helixtrans-75.8-15.1169.6-60.6173.4000112.4Q674 L675 T679Q674-L677 HydrophobicContact CB-CD1 4.15Å; Q674-L677 HydrophobicContact CG-CD1 4.24Å; Q674-L677 VanDerWaalsContact O-CB 3.31Å; Q674-L677 WeakPolarHBondContact O-CB 3.34Å; Q674-L677 PolarHBondContact O-N 3.28Å; Q674-L677 VanDerWaalsContact O-N 3.13Å; L675-L677 PolarHBondContact O-N 3.29Å; L677-T679 PolarHBondContact O-N 2.92Å
678C90.5Very high92.8Very high0 Ų042.3 Ų42.30%021%0.207CC..  trans-74.466.2175.6-63.70000111.6L655 L675 F676 K680 L681 L701L655-C678 PolarHBondContact O-SG 3.4Å; L675-C678 WeakPolarHBondContact O-CB 3.32Å; L675-C678 PolarHBondContact O-N 3.17Å; F676-C678 VanDerWaalsContact C-N 3.26Å; C678-K680 PolarHBondContact O-N 3.38Å; C678-L681 HydrophobicContact CB-CB 4.33Å; C678-L681 HydrophobicContact CB-CD1 4.14Å; C678-L681 WeakPolarHBondContact O-CB 3.11Å; C678-L681 PolarHBondContact O-N 3.23Å; C678-L701 VanDerWaalsContact O-CD2 3.23Å; C678-L701 WeakPolarHBondContact O-CD2 3.46Å
679T88.9Confident92.8Very high69 Ų6942.5 Ų42.542%0.42321%0.208SC..THydrogen-bonded Turntrans-62.8-14.2-171.456.10000115.9L677 L681 N703L677-T679 PolarHBondContact O-N 2.92Å; T679-L681 VanDerWaalsContact C-N 3.34Å; T679-N703 PolarHBondContact O-ND2 3.3Å
680K93.1Very high92.9Very high95 Ų9541.1 Ų41.141%0.41320%0.201SC..THydrogen-bonded Turntrans-84.5-7.7175-67.8-170.2-175.1174.90113.9N657 L658 E659 C678 H682N657-K680 PolarHBondContact OD1-NZ 2.99Å; L658-K680 CarbonylContact O-C 3.6Å; E659-K680 HydrophobicContact CG-CB 4.39Å; C678-K680 PolarHBondContact O-N 3.38Å; K680-H682 PolarHBondContact O-N 3.34Å
681L94.6Very high93.1Very high0 Ų037.2 Ų37.20%018%0.18CC..  trans-66.5119.6-174.5-155.9160.1000110.2L658 E659 L661 C678 T679 Y683 L684 L701 N703 L704L658-L681 HydrophobicContact CD2-CD1 4.37Å; L658-L681 WeakPolarHBondContact O-CA 3.39Å; L658-L681 PolarHBondContact O-N 3.49Å; E659-L681 CarbonylContact O-C 3.21Å; E659-L681 WeakPolarHBondContact O-CA 3.33Å; L661-L681 HydrophobicContact CB-CD1 4.06Å; L661-L681 HydrophobicContact CD2-CD1 4.46Å; C678-L681 HydrophobicContact CB-CB 4.33Å; C678-L681 HydrophobicContact CB-CD1 4.14Å; C678-L681 WeakPolarHBondContact O-CB 3.11Å; C678-L681 PolarHBondContact O-N 3.23Å; T679-L681 VanDerWaalsContact C-N 3.34Å; L681-Y683 VanDerWaalsContact CD2-C 3.43Å; L681-Y683 WeakPolarHBondContact CD2-O 3.16Å; L681-L684 HydrophobicContact CD2-CB 3.62Å; L681-L701 HydrophobicContact CB-CD2 4.3Å; L681-N703 CarbonylContact O-C 3.41Å; L681-L704 HydrophobicContact CD2-CD1 3.87Å; L681-L704 PolarHBondContact O-N 2.99Å
682H95.4Very high93.1Very high43 Ų4339.6 Ų39.620%0.19920%0.196CC..  trans-111.9-19.9177.170-92.4000113E659 Q660 K680 N703 Q705 Y706E659-H682 PolarHBondContact O-N 3.41Å; E659-H682 PolarHBondContact O-ND1 3.18Å; Q660-H682 PolarHBondContact NE2-NE2 2.91Å; K680-H682 PolarHBondContact O-N 3.34Å; H682-N703 WeakPolarHBondContact CA-O 3.41Å; H682-N703 VanDerWaalsContact CB-O 3.27Å; H682-N703 WeakPolarHBondContact CB-O 3.42Å; H682-Q705 HydrophobicContact CB-CG 4.32Å; H682-Q705 WeakPolarHBondContact O-CA 3.47Å; H682-Q705 PolarHBondContact O-N 3.08Å; H682-Y706 PolarHBondContact O-N 3.37Å
683Y96.3Very high93.2Very high60 Ų6043.9 Ų43.924%0.23521%0.213CC..EExtended strand (participates in β ladder)trans-124.7116.2175.9-176.1-78.2000110.8E659 Q660 L661 S662 L681 D685 Y706E659-Y683 PolarHBondContact O-N 2.94Å; E659-Y683 VanDerWaalsContact O-N 3.16Å; Q660-Y683 WeakPolarHBondContact CA-O 3.34Å; L661-Y683 PolarHBondContact N-O 3.36Å; S662-Y683 WeakPolarHBondContact OG-CE1 3.37Å; L681-Y683 VanDerWaalsContact CD2-C 3.43Å; L681-Y683 WeakPolarHBondContact CD2-O 3.16Å; Y683-D685 HydrophobicContact CE1-CB 3.68Å; Y683-D685 PolarHBondContact OH-OD2 2.85Å; Y683-Y706 HydrophobicContact CD1-CD1 4.42Å; Y683-Y706 AromaticContact CD2-CD1 3.47Å; Y683-Y706 HydrophobicContact CD2-CD1 3.47Å; Y683-Y706 VanDerWaalsContact CD2-CD1 3.47Å; Y683-Y706 HydrophobicContact CD2-CD2 4.36Å; Y683-Y706 HydrophobicContact CD2-CE1 4.2Å; Y683-Y706 AromaticContact CD2-CG 3.56Å; Y683-Y706 HydrophobicContact CD2-CG 3.56Å; Y683-Y706 HydrophobicContact CE1-CD1 4.18Å; Y683-Y706 HydrophobicContact CE1-CE1 4.26Å; Y683-Y706 AromaticContact CE2-CD1 3.2Å; Y683-Y706 HydrophobicContact CE2-CD1 3.2Å; Y683-Y706 HydrophobicContact CE2-CD2 4.03Å; Y683-Y706 AromaticContact CE2-CE1 3.45Å; Y683-Y706 HydrophobicContact CE2-CE1 3.45Å; Y683-Y706 VanDerWaalsContact CE2-CE1 3.45Å; Y683-Y706 HydrophobicContact CE2-CE2 4.25Å; Y683-Y706 AromaticContact CE2-CG 3.51Å; Y683-Y706 HydrophobicContact CE2-CG 3.51Å; Y683-Y706 AromaticContact CE2-CZ 3.98Å; Y683-Y706 HydrophobicContact CG-CD1 4.08Å; Y683-Y706 HydrophobicContact CG-CG 4.44Å; Y683-Y706 AromaticContact CZ-CD1 3.57Å; Y683-Y706 AromaticContact CZ-CE1 3.46Å; Y683-Y706 VanDerWaalsContact CZ-CE1 3.46Å; Y683-Y706 WeakPolarHBondContact OH-CE1 3.25Å
684L96.2Very high93.3Very high0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-127.9118.3174.7-177.156000110.4L661 L681 L686 L701 L704 Y706 F707 A708L661-L684 HydrophobicContact CB-CD1 4.07Å; L661-L684 HydrophobicContact CD2-CD1 3.93Å; L661-L684 HydrophobicContact CG-CD1 4.16Å; L661-L684 WeakPolarHBondContact O-CA 3.38Å; L681-L684 HydrophobicContact CD2-CB 3.62Å; L684-L686 HydrophobicContact CD1-CD1 4.36Å; L684-L686 HydrophobicContact CD1-CD2 4.25Å; L684-L686 HydrophobicContact CD1-CG 4.05Å; L684-L686 HydrophobicContact CD2-CD1 4.1Å; L684-L686 HydrophobicContact CG-CD1 4.14Å; L684-L686 HydrophobicContact CG-CG 4.09Å; L684-L701 HydrophobicContact CD2-CD1 4.38Å; L684-L704 HydrophobicContact CB-CD1 3.91Å; L684-Y706 PolarHBondContact N-O 2.95Å; L684-F707 HydrophobicContact CB-CD2 4Å; L684-F707 HydrophobicContact CD2-CD2 3.9Å; L684-F707 HydrophobicContact CD2-CE2 3.67Å; L684-F707 HydrophobicContact CG-CD2 4.01Å; L684-F707 HydrophobicContact CG-CE2 4.05Å; L684-F707 WeakPolarHBondContact O-CA 3.38Å; L684-A708 PolarHBondContact O-N 3.36Å
685D96.1Very high93.3Very high15 Ų1536.9 Ų36.98%0.0818%0.178CC..EExtended strand (participates in β ladder)trans-119.3120.6173.9-163.4-13.7000110.9L661 L663 Y683 S687 Y706L661-D685 PolarHBondContact O-N 2.68Å; L663-D685 PolarHBondContact N-O 3.34Å; Y683-D685 HydrophobicContact CE1-CB 3.68Å; Y683-D685 PolarHBondContact OH-OD2 2.85Å; D685-S687 VanDerWaalsContact OD1-CB 3.24Å; D685-S687 WeakPolarHBondContact OD1-CB 3.26Å; D685-S687 PolarHBondContact OD1-N 3.41Å; D685-S687 PolarHBondContact OD1-OG 2.92Å; D685-Y706 HydrophobicContact CB-CE1 4.47Å
686L95.4Very high93.4Very high0 Ų041.1 Ų41.10%020%0.198CC..  trans-12719.7-179.2-64.3172.3000110.7L663 L671 L684 N689 L691 F707 A708 V709 N712L663-L686 HydrophobicContact CB-CD2 4.01Å; L663-L686 HydrophobicContact CD1-CD2 3.96Å; L671-L686 HydrophobicContact CD1-CD1 3.62Å; L671-L686 HydrophobicContact CD2-CD1 3.92Å; L671-L686 HydrophobicContact CD2-CD2 3.96Å; L671-L686 HydrophobicContact CG-CD1 4.4Å; L684-L686 HydrophobicContact CD1-CD1 4.36Å; L684-L686 HydrophobicContact CD1-CD2 4.25Å; L684-L686 HydrophobicContact CD1-CG 4.05Å; L684-L686 HydrophobicContact CD2-CD1 4.1Å; L684-L686 HydrophobicContact CG-CD1 4.14Å; L684-L686 HydrophobicContact CG-CG 4.09Å; L686-N689 PolarHBondContact O-ND2 2.87Å; L686-L691 HydrophobicContact CB-CD1 3.93Å; L686-L691 HydrophobicContact CD1-CD1 3.98Å; L686-L691 HydrophobicContact CG-CD1 4.45Å; L686-F707 HydrophobicContact CD1-CE2 4.12Å; L686-A708 PolarHBondContact N-O 2.89Å; L686-V709 HydrophobicContact CB-CG1 3.97Å; L686-V709 HydrophobicContact CD1-CG1 4.25Å; L686-N712 PolarHBondContact O-ND2 3.12Å
687S95.3Very high93.5Very high9 Ų943.8 Ų43.86%0.06321%0.211CC..  trans-64.1153.8-177.4-53.10000112.1D664 H665 D685 N689 A708 T710D664-S687 CarbonylContact C-O 3.59Å; D664-S687 WeakPolarHBondContact CA-O 3.47Å; D664-S687 WeakPolarHBondContact CB-O 3.38Å; H665-S687 PolarHBondContact N-O 3.37Å; D685-S687 VanDerWaalsContact OD1-CB 3.24Å; D685-S687 WeakPolarHBondContact OD1-CB 3.26Å; D685-S687 PolarHBondContact OD1-N 3.41Å; D685-S687 PolarHBondContact OD1-OG 2.92Å; S687-N689 PolarHBondContact O-ND2 3.02Å; S687-N689 VanDerWaalsContact O-ND2 3.16Å; S687-A708 WeakPolarHBondContact OG-CB 3.26Å; S687-T710 CarbonylContact C-O 3.32Å; S687-T710 WeakPolarHBondContact CA-O 3.33Å; S687-T710 WeakPolarHBondContact CB-O 3.29Å; S687-T710 PolarHBondContact OG-N 2.91Å
688Y95.2Very high93.6Very high93 Ų9338.8 Ų38.837%0.36518%0.184SC..SBendtrans53.856.6179.8-58.9-90.6000112.7H665 N666 T710 N711H665-Y688 VanDerWaalsContact CA-O 3.28Å; H665-Y688 WeakPolarHBondContact CA-O 3.4Å; H665-Y688 AromaticContact CD2-CG 3.68Å; H665-Y688 AromaticContact CE1-CD2 3.29Å; H665-Y688 WeakPolarHBondContact CE1-CD2 3.47Å; H665-Y688 AromaticContact CE1-CE2 3.67Å; H665-Y688 AromaticContact CE1-CG 3.74Å; H665-Y688 PolarHBondContact N-O 3.45Å; H665-Y688 AromaticContact ND1-CD2 3.82Å; H665-Y688 AromaticContact NE2-CD1 3.79Å; H665-Y688 AromaticContact NE2-CD2 3.46Å; H665-Y688 WeakPolarHBondContact NE2-CD2 3.48Å; H665-Y688 AromaticContact NE2-CE2 3.81Å; H665-Y688 AromaticContact NE2-CG 3.46Å; N666-Y688 PolarHBondContact N-O 2.97Å; N666-Y688 VanDerWaalsContact O-O 3.07Å; Y688-T710 PolarHBondContact N-O 2.92Å; Y688-N711 WeakPolarHBondContact CA-O 3.5Å; Y688-N711 HydrophobicContact CD1-CB 3.68Å; Y688-N711 WeakPolarHBondContact CD1-ND2 3.45Å; Y688-N711 HydrophobicContact CE1-CB 3.77Å; Y688-N711 HydrophobicContact CG-CB 4.11Å
689N95.7Very high93.5Very high3 Ų341.5 Ų41.52%0.01620%0.197CC..SBendtrans-128-167.6172.8-81.8-80000109.6L663 N666 I668 L686 S687 L691 N712L663-N689 PolarHBondContact O-ND2 2.71Å; N666-N689 WeakPolarHBondContact CA-OD1 3.45Å; N666-N689 WeakPolarHBondContact CB-OD1 3.38Å; N666-N689 PolarHBondContact O-OD1 3.18Å; N666-N689 VanDerWaalsContact O-OD1 3.12Å; I668-N689 HydrophobicContact CB-CB 4.37Å; I668-N689 VanDerWaalsContact CB-OD1 3.3Å; I668-N689 WeakPolarHBondContact CB-OD1 3.42Å; I668-N689 WeakPolarHBondContact CG1-OD1 3.29Å; I668-N689 PolarHBondContact N-OD1 2.88Å; L686-N689 PolarHBondContact O-ND2 2.87Å; S687-N689 PolarHBondContact O-ND2 3.02Å; S687-N689 VanDerWaalsContact O-ND2 3.16Å; N689-L691 HydrophobicContact CB-CG 4.27Å; N689-N712 VanDerWaalsContact CA-OD1 3.29Å; N689-N712 WeakPolarHBondContact CA-OD1 3.48Å; N689-N712 WeakPolarHBondContact CB-OD1 3.49Å; N689-N712 PolarHBondContact N-OD1 3.14Å; N689-N712 PolarHBondContact O-OD1 3.28Å
690H94.7Very high93.6Very high91 Ų9144.4 Ų44.442%0.42120%0.201SC..  trans-117.532.3179.4-62-41.5000112.1I668 E669 N712I668-H690 CarbonylContact O-C 3.56Å; I668-H690 VanDerWaalsContact O-C 3.27Å; I668-H690 WeakPolarHBondContact O-CA 3.23Å; I668-H690 PolarHBondContact O-N 3.35Å; E669-H690 HydrophobicContact CG-CB 4.3Å; H690-N712 PolarHBondContact N-OD1 2.61Å
691L94.8Very high93.6Very high0 Ų039.9 Ų39.90%018%0.181CC..  trans-68132.2-178.2-62.8174.5000111.4I668 L671 L686 N689 N712 N713 I714I668-L691 HydrophobicContact CG2-CD2 3.93Å; I668-L691 PolarHBondContact O-N 3.34Å; L671-L691 HydrophobicContact CD1-CD1 4.26Å; L671-L691 HydrophobicContact CD2-CD1 4.35Å; L671-L691 HydrophobicContact CD2-CD2 4.01Å; L671-L691 HydrophobicContact CG-CD1 4.33Å; L671-L691 HydrophobicContact CG-CD2 3.83Å; L686-L691 HydrophobicContact CB-CD1 3.93Å; L686-L691 HydrophobicContact CD1-CD1 3.98Å; L686-L691 HydrophobicContact CG-CD1 4.45Å; N689-L691 HydrophobicContact CB-CG 4.27Å; L691-N712 HydrophobicContact CB-CB 4.28Å; L691-N712 WeakPolarHBondContact CB-OD1 3.49Å; L691-N712 WeakPolarHBondContact CG-OD1 3.4Å; L691-N712 PolarHBondContact N-OD1 2.99Å; L691-N713 CarbonylContact O-C 3.17Å; L691-N713 WeakPolarHBondContact O-CA 3.25Å; L691-N713 PolarHBondContact O-N 2.93Å; L691-I714 HydrophobicContact CB-CG1 4.36Å; L691-I714 PolarHBondContact O-N 3.47Å
692T92.3Very high93.3Very high66 Ų6643 Ų4341%0.40520%0.204SC..  trans-99.5-29.3177.652.30000113.7I714T692-I714 WeakPolarHBondContact O-CA 3.4Å
693F91.8Very high93.2Very high109 Ų10943.3 Ų43.348%0.47821%0.206SC..  trans-149.6159.8176.669-87.3000110.9P695F693-P695 HydrophobicContact CE2-CG 4.14Å
694I92.9Very high93.1Very high7 Ų740.4 Ų40.44%0.03620%0.195CC..  trans-108.9129.9171.4-60.2161.1000107.7I698 F707 V709 I714 L717 P718I694-I698 HydrophobicContact CG2-CB 4.26Å; I694-I698 HydrophobicContact CG2-CD1 3.74Å; I694-I698 HydrophobicContact CG2-CG2 4.34Å; I694-F707 HydrophobicContact CD1-CE1 3.72Å; I694-F707 HydrophobicContact CD1-CZ 3.7Å; I694-F707 HydrophobicContact CG1-CZ 4.4Å; I694-V709 HydrophobicContact CD1-CG1 4.3Å; I694-V709 HydrophobicContact CD1-CG2 4.43Å; I694-I714 HydrophobicContact CD1-CD1 3.87Å; I694-I714 HydrophobicContact CG1-CD1 4.05Å; I694-L717 HydrophobicContact CD1-CD2 3.81Å; I694-P718 HydrophobicContact CB-CG 4.03Å; I694-P718 HydrophobicContact CG2-CG 4.02Å; I694-P718 WeakPolarHBondContact O-CG 3.47Å
695P92.1Very high93Very high8 Ų843.9 Ų43.95%0.05221%0.212CC..  trans-64.4149.4177.5-23.835.1000113.9L673 F676 F693 E697 I698L673-P695 HydrophobicContact CD2-CB 3.73Å; L673-P695 HydrophobicContact CD2-CG 4.04Å; F676-P695 HydrophobicContact CD2-CB 4.49Å; F676-P695 HydrophobicContact CE2-CB 3.77Å; F676-P695 HydrophobicContact CE2-CG 3.7Å; F676-P695 HydrophobicContact CZ-CB 4.28Å; F676-P695 HydrophobicContact CZ-CG 4.11Å; F693-P695 HydrophobicContact CE2-CG 4.14Å; P695-E697 WeakPolarHBondContact CB-OE2 3.32Å; P695-E697 PolarHBondContact O-N 2.74Å; P695-I698 WeakPolarHBondContact O-CG2 3.4Å; P695-I698 PolarHBondContact O-N 2.91Å
696E90.8Very high93Very high90 Ų9046 Ų4642%0.42122%0.219SC..G310 helixtrans-61.7-24.2178.1-79.8-68.5165.700112.9I698 Q699 P718 D719 G720E696-I698 PolarHBondContact O-N 3.05Å; E696-Q699 WeakPolarHBondContact O-CG 3.35Å; E696-Q699 PolarHBondContact O-N 3.36Å; E696-P718 VanDerWaalsContact CD-CB 3.41Å; E696-P718 HydrophobicContact CG-CB 4.06Å; E696-P718 WeakPolarHBondContact OE1-CA 3.49Å; E696-P718 VanDerWaalsContact OE1-CB 3.28Å; E696-P718 WeakPolarHBondContact OE1-CB 3.32Å; E696-D719 PolarHBondContact OE1-N 3.11Å; E696-G720 WeakPolarHBondContact OE2-CA 3.12Å; E696-G720 PolarHBondContact OE2-N 2.89Å
697E92Very high93.1Very high57 Ų5746 Ų4627%0.26622%0.219SC..G310 helixtrans-60.9-12.4178.1-6780.6177.400113.5L673 F676 P695 Q699 Y700L673-E697 HydrophobicContact CD2-CG 4.47Å; L673-E697 WeakPolarHBondContact CD2-OE2 3.31Å; F676-E697 HydrophobicContact CB-CB 3.88Å; F676-E697 WeakPolarHBondContact CB-O 3.37Å; F676-E697 HydrophobicContact CD2-CB 3.68Å; F676-E697 HydrophobicContact CG-CB 3.89Å; P695-E697 WeakPolarHBondContact CB-OE2 3.32Å; P695-E697 PolarHBondContact O-N 2.74Å; E697-Q699 PolarHBondContact O-N 3.38Å; E697-Y700 HydrophobicContact CB-CD2 3.94Å; E697-Y700 HydrophobicContact CB-CE2 4.1Å; E697-Y700 HydrophobicContact CG-CD2 4.35Å; E697-Y700 HydrophobicContact CG-CE2 4.02Å; E697-Y700 WeakPolarHBondContact O-CB 3.2Å; E697-Y700 WeakPolarHBondContact O-CD2 3.3Å; E697-Y700 PolarHBondContact O-N 3.42Å
698I91.8Very high93.1Very high0 Ų045.5 Ų45.50%022%0.216CC..G310 helixtrans-53.1-26.2171.4-165.9157000113.3F676 I694 P695 E696 Y700 L701 L704 F707 P718 L721 C724F676-I698 HydrophobicContact CD1-CB 3.95Å; F676-I698 HydrophobicContact CD1-CG1 4.25Å; F676-I698 HydrophobicContact CE1-CB 3.68Å; F676-I698 HydrophobicContact CE1-CD1 4.21Å; F676-I698 HydrophobicContact CE1-CG1 3.93Å; F676-I698 HydrophobicContact CZ-CB 4.46Å; I694-I698 HydrophobicContact CG2-CB 4.26Å; I694-I698 HydrophobicContact CG2-CD1 3.74Å; I694-I698 HydrophobicContact CG2-CG2 4.34Å; P695-I698 WeakPolarHBondContact O-CG2 3.4Å; P695-I698 PolarHBondContact O-N 2.91Å; E696-I698 PolarHBondContact O-N 3.05Å; I698-Y700 PolarHBondContact O-N 3.1Å; I698-L701 HydrophobicContact CG1-CD1 4.4Å; I698-L701 WeakPolarHBondContact O-CB 3.48Å; I698-L701 PolarHBondContact O-N 2.84Å; I698-L704 HydrophobicContact CD1-CD2 4.47Å; I698-F707 HydrophobicContact CD1-CD1 4.46Å; I698-F707 HydrophobicContact CD1-CE1 3.93Å; I698-F707 HydrophobicContact CD1-CE2 4.08Å; I698-F707 HydrophobicContact CD1-CZ 3.71Å; I698-P718 HydrophobicContact CG2-CG 3.94Å; I698-L721 HydrophobicContact CD1-CD1 3.67Å; I698-L721 HydrophobicContact CG1-CD1 4.21Å; I698-L721 HydrophobicContact CG2-CB 4.03Å; I698-C724 PolarHBondContact O-SG 2.92Å
699Q89.1Confident93.1Very high57 Ų5741.1 Ų41.127%0.26620%0.198SC..G310 helixtrans-54-26173.270.4-177.7-2.300113.9E696 E697 L701 G720 Q723E696-Q699 WeakPolarHBondContact O-CG 3.35Å; E696-Q699 PolarHBondContact O-N 3.36Å; E697-Q699 PolarHBondContact O-N 3.38Å; Q699-L701 VanDerWaalsContact C-N 3.28Å; Q699-L701 PolarHBondContact O-N 3.35Å; Q699-G720 VanDerWaalsContact CA-O 3.31Å; Q699-G720 WeakPolarHBondContact CA-O 3.25Å; Q699-G720 WeakPolarHBondContact CB-O 3.2Å; Q699-Q723 HydrophobicContact CB-CB 4.3Å; Q699-Q723 VanDerWaalsContact OE1-OE1 3.14Å
700Y90.8Very high93Very high129 Ų12941.5 Ų41.551%0.50620%0.201SC..G310 helixtrans-73.8-18179.1-62.4-51.7000113.2E697 I698 S702E697-Y700 HydrophobicContact CB-CD2 3.94Å; E697-Y700 HydrophobicContact CB-CE2 4.1Å; E697-Y700 HydrophobicContact CG-CD2 4.35Å; E697-Y700 HydrophobicContact CG-CE2 4.02Å; E697-Y700 WeakPolarHBondContact O-CB 3.2Å; E697-Y700 WeakPolarHBondContact O-CD2 3.3Å; E697-Y700 PolarHBondContact O-N 3.42Å; I698-Y700 PolarHBondContact O-N 3.1Å; Y700-S702 PolarHBondContact O-N 3.32Å
701L91.9Very high93Very high0 Ų040 Ų400%020%0.196CC..  trans-79.961175.6-58.8-176.2000111.5F676 C678 L681 L684 I698 Q699 N703 L704 C724F676-L701 HydrophobicContact CD1-CD1 3.8Å; F676-L701 HydrophobicContact CD1-CG 4.07Å; F676-L701 HydrophobicContact CE1-CD1 4.32Å; C678-L701 VanDerWaalsContact O-CD2 3.23Å; C678-L701 WeakPolarHBondContact O-CD2 3.46Å; L681-L701 HydrophobicContact CB-CD2 4.3Å; L684-L701 HydrophobicContact CD2-CD1 4.38Å; I698-L701 HydrophobicContact CG1-CD1 4.4Å; I698-L701 WeakPolarHBondContact O-CB 3.48Å; I698-L701 PolarHBondContact O-N 2.84Å; Q699-L701 VanDerWaalsContact C-N 3.28Å; Q699-L701 PolarHBondContact O-N 3.35Å; L701-N703 PolarHBondContact O-N 2.03Å; L701-L704 HydrophobicContact CB-CB 4.15Å; L701-L704 HydrophobicContact CB-CD2 4.48Å; L701-L704 HydrophobicContact CD1-CD2 4.42Å; L701-L704 VanDerWaalsContact O-CB 3.27Å; L701-L704 WeakPolarHBondContact O-CB 3.25Å; L701-L704 PolarHBondContact O-N 3.29Å; L701-C724 PolarHBondContact O-SG 2.85Å; L701-C724 VanDerWaalsContact O-SG 3.37Å
702S88.2Confident93Very high67 Ų6740.2 Ų40.247%0.46920%0.197SC..THydrogen-bonded Turntrans-61.3-16.4-178.361.80000114.9Y700Y700-S702 PolarHBondContact O-N 3.32Å
703N93Very high93.1Very high48 Ų4841.2 Ų41.226%0.25720%0.2SC..THydrogen-bonded Turntrans-95.3-1177.8-69.5-47.9000114.6T679 L681 H682 L701 Q705 K726T679-N703 PolarHBondContact O-ND2 3.3Å; L681-N703 CarbonylContact O-C 3.41Å; H682-N703 WeakPolarHBondContact CA-O 3.41Å; H682-N703 VanDerWaalsContact CB-O 3.27Å; H682-N703 WeakPolarHBondContact CB-O 3.42Å; L701-N703 PolarHBondContact O-N 2.03Å; N703-Q705 PolarHBondContact O-N 3.21Å; N703-K726 PolarHBondContact OD1-NZ 2.99Å
704L94.6Very high93.2Very high0 Ų036 Ų360%018%0.177CC..  trans-61124.4-176.9-162.262.5000111.1L681 L684 I698 L701 F707 K726 L727L681-L704 HydrophobicContact CD2-CD1 3.87Å; L681-L704 PolarHBondContact O-N 2.99Å; L684-L704 HydrophobicContact CB-CD1 3.91Å; I698-L704 HydrophobicContact CD1-CD2 4.47Å; L701-L704 HydrophobicContact CB-CB 4.15Å; L701-L704 HydrophobicContact CB-CD2 4.48Å; L701-L704 HydrophobicContact CD1-CD2 4.42Å; L701-L704 VanDerWaalsContact O-CB 3.27Å; L701-L704 WeakPolarHBondContact O-CB 3.25Å; L701-L704 PolarHBondContact O-N 3.29Å; L704-F707 HydrophobicContact CD2-CB 3.9Å; L704-F707 HydrophobicContact CD2-CD2 4.23Å; L704-F707 HydrophobicContact CD2-CG 4.09Å; L704-F707 HydrophobicContact CG-CB 4.3Å; L704-K726 CarbonylContact O-C 3.5Å; L704-L727 HydrophobicContact CD2-CD1 3.98Å; L704-L727 HydrophobicContact CG-CD1 4.21Å; L704-L727 VanDerWaalsContact O-CA 3.28Å; L704-L727 WeakPolarHBondContact O-CA 3.17Å; L704-L727 PolarHBondContact O-N 3.04Å; L704-L727 VanDerWaalsContact O-N 3.08Å
705Q95.1Very high93.1Very high73 Ų7341.7 Ų41.734%0.34120%0.203SC..  trans-114.7-39.7178.3-68.1175.919.900111.2H682 N703 K726 Q728 C729H682-Q705 HydrophobicContact CB-CG 4.32Å; H682-Q705 WeakPolarHBondContact O-CA 3.47Å; H682-Q705 PolarHBondContact O-N 3.08Å; N703-Q705 PolarHBondContact O-N 3.21Å; Q705-K726 HydrophobicContact CG-CB 4.38Å; Q705-Q728 WeakPolarHBondContact O-CA 3.06Å; Q705-Q728 PolarHBondContact O-N 2.84Å; Q705-C729 PolarHBondContact O-N 3.41Å
706Y96Very high93Very high58 Ų5848.2 Ų48.223%0.22724%0.235CC..EExtended strand (participates in β ladder)trans-120.6121.5179.1-176-82.4000109.3H682 Y683 L684 D685 A708 C729 L731H682-Y706 PolarHBondContact O-N 3.37Å; Y683-Y706 HydrophobicContact CD1-CD1 4.42Å; Y683-Y706 AromaticContact CD2-CD1 3.47Å; Y683-Y706 HydrophobicContact CD2-CD1 3.47Å; Y683-Y706 VanDerWaalsContact CD2-CD1 3.47Å; Y683-Y706 HydrophobicContact CD2-CD2 4.36Å; Y683-Y706 HydrophobicContact CD2-CE1 4.2Å; Y683-Y706 AromaticContact CD2-CG 3.56Å; Y683-Y706 HydrophobicContact CD2-CG 3.56Å; Y683-Y706 HydrophobicContact CE1-CD1 4.18Å; Y683-Y706 HydrophobicContact CE1-CE1 4.26Å; Y683-Y706 AromaticContact CE2-CD1 3.2Å; Y683-Y706 HydrophobicContact CE2-CD1 3.2Å; Y683-Y706 HydrophobicContact CE2-CD2 4.03Å; Y683-Y706 AromaticContact CE2-CE1 3.45Å; Y683-Y706 HydrophobicContact CE2-CE1 3.45Å; Y683-Y706 VanDerWaalsContact CE2-CE1 3.45Å; Y683-Y706 HydrophobicContact CE2-CE2 4.25Å; Y683-Y706 AromaticContact CE2-CG 3.51Å; Y683-Y706 HydrophobicContact CE2-CG 3.51Å; Y683-Y706 AromaticContact CE2-CZ 3.98Å; Y683-Y706 HydrophobicContact CG-CD1 4.08Å; Y683-Y706 HydrophobicContact CG-CG 4.44Å; Y683-Y706 AromaticContact CZ-CD1 3.57Å; Y683-Y706 AromaticContact CZ-CE1 3.46Å; Y683-Y706 VanDerWaalsContact CZ-CE1 3.46Å; Y683-Y706 WeakPolarHBondContact OH-CE1 3.25Å; L684-Y706 PolarHBondContact N-O 2.95Å; D685-Y706 HydrophobicContact CB-CE1 4.47Å; Y706-A708 HydrophobicContact CD1-CB 4.44Å; Y706-A708 HydrophobicContact CE1-CB 3.57Å; Y706-C729 HydrophobicContact CD2-CB 3.54Å; Y706-C729 HydrophobicContact CE2-CB 4.08Å; Y706-C729 VanDerWaalsContact CE2-SG 3.51Å; Y706-C729 HydrophobicContact CG-CB 4.33Å; Y706-L731 HydrophobicContact CE2-CD1 4.31Å; Y706-L731 WeakPolarHBondContact OH-CD1 3.48Å
707F96.1Very high93.1Very high0 Ų045 Ų450%022%0.22CC..EExtended strand (participates in β ladder)trans-132.6119.7174.6-174.3-128.9000110.2L684 L686 I694 I698 L704 V709 L721 L727 C729 L730 L731L684-F707 HydrophobicContact CB-CD2 4Å; L684-F707 HydrophobicContact CD2-CD2 3.9Å; L684-F707 HydrophobicContact CD2-CE2 3.67Å; L684-F707 HydrophobicContact CG-CD2 4.01Å; L684-F707 HydrophobicContact CG-CE2 4.05Å; L684-F707 WeakPolarHBondContact O-CA 3.38Å; L686-F707 HydrophobicContact CD1-CE2 4.12Å; I694-F707 HydrophobicContact CD1-CE1 3.72Å; I694-F707 HydrophobicContact CD1-CZ 3.7Å; I694-F707 HydrophobicContact CG1-CZ 4.4Å; I698-F707 HydrophobicContact CD1-CD1 4.46Å; I698-F707 HydrophobicContact CD1-CE1 3.93Å; I698-F707 HydrophobicContact CD1-CE2 4.08Å; I698-F707 HydrophobicContact CD1-CZ 3.71Å; L704-F707 HydrophobicContact CD2-CB 3.9Å; L704-F707 HydrophobicContact CD2-CD2 4.23Å; L704-F707 HydrophobicContact CD2-CG 4.09Å; L704-F707 HydrophobicContact CG-CB 4.3Å; F707-V709 HydrophobicContact CE1-CG1 3.97Å; F707-V709 HydrophobicContact CE1-CG2 4.25Å; F707-V709 HydrophobicContact CE2-CG1 3.78Å; F707-V709 HydrophobicContact CZ-CG1 3.4Å; F707-V709 HydrophobicContact CZ-CG2 4.5Å; F707-L721 HydrophobicContact CD1-CD1 3.73Å; F707-L721 HydrophobicContact CD1-CD2 4.48Å; F707-L721 HydrophobicContact CE1-CD1 3.91Å; F707-L721 HydrophobicContact CE1-CD2 4.35Å; F707-L727 HydrophobicContact CB-CD1 4.03Å; F707-C729 PolarHBondContact N-O 3.48Å; F707-L730 HydrophobicContact CB-CD1 4.3Å; F707-L730 HydrophobicContact CD1-CD1 3.63Å; F707-L730 HydrophobicContact CG-CD1 4.43Å; F707-L730 WeakPolarHBondContact O-CA 3.27Å; F707-L731 PolarHBondContact O-N 3.04Å
708A95.8Very high93.1Very high0 Ų042.7 Ų42.70%021%0.21CC..EExtended strand (participates in β ladder)trans-126.5127.417900000111.1L684 L686 S687 Y706 L731L684-A708 PolarHBondContact O-N 3.36Å; L686-A708 PolarHBondContact N-O 2.89Å; S687-A708 WeakPolarHBondContact OG-CB 3.26Å; Y706-A708 HydrophobicContact CD1-CB 4.44Å; Y706-A708 HydrophobicContact CE1-CB 3.57Å; A708-L731 HydrophobicContact CB-CB 3.89Å; A708-L731 HydrophobicContact CB-CD1 3.94Å; A708-L731 HydrophobicContact CB-CG 4.2Å
709V95Very high92.9Very high0 Ų046.3 Ų46.30%023%0.23CC..  trans-135.330.6175.9-72.20000110.1L686 I694 F707 N712 I714 L731 L732 N735L686-V709 HydrophobicContact CB-CG1 3.97Å; L686-V709 HydrophobicContact CD1-CG1 4.25Å; I694-V709 HydrophobicContact CD1-CG1 4.3Å; I694-V709 HydrophobicContact CD1-CG2 4.43Å; F707-V709 HydrophobicContact CE1-CG1 3.97Å; F707-V709 HydrophobicContact CE1-CG2 4.25Å; F707-V709 HydrophobicContact CE2-CG1 3.78Å; F707-V709 HydrophobicContact CZ-CG1 3.4Å; F707-V709 HydrophobicContact CZ-CG2 4.5Å; V709-N712 PolarHBondContact O-ND2 2.9Å; V709-I714 HydrophobicContact CB-CD1 3.71Å; V709-I714 HydrophobicContact CG1-CD1 4.16Å; V709-I714 HydrophobicContact CG2-CD1 3.76Å; V709-L731 PolarHBondContact N-O 3.5Å; V709-L732 HydrophobicContact CG2-CD2 3.39Å; V709-N735 PolarHBondContact O-ND2 3.25Å
710T94.5Very high92.8Very high12 Ų1243.6 Ų43.67%0.07422%0.217CC..  trans-61.8141.6-178.2-59.90000110.8S687 Y688 N712 L731 G733S687-T710 CarbonylContact C-O 3.32Å; S687-T710 WeakPolarHBondContact CA-O 3.33Å; S687-T710 WeakPolarHBondContact CB-O 3.29Å; S687-T710 PolarHBondContact OG-N 2.91Å; Y688-T710 PolarHBondContact N-O 2.92Å; T710-N712 PolarHBondContact O-ND2 3.26Å; T710-L731 WeakPolarHBondContact OG1-CB 3.3Å; T710-G733 CarbonylContact C-O 3.54Å; T710-G733 VanDerWaalsContact CA-O 3.22Å; T710-G733 WeakPolarHBondContact CA-O 3.36Å; T710-G733 WeakPolarHBondContact CG2-O 3.37Å
711N94.6Very high92.9Very high60 Ų6037.4 Ų37.432%0.32119%0.193SC..SBendtrans60.955.6177.7-156.185000113.2Y688 G733 K734Y688-N711 WeakPolarHBondContact CA-O 3.5Å; Y688-N711 HydrophobicContact CD1-CB 3.68Å; Y688-N711 WeakPolarHBondContact CD1-ND2 3.45Å; Y688-N711 HydrophobicContact CE1-CB 3.77Å; Y688-N711 HydrophobicContact CG-CB 4.11Å; N711-G733 PolarHBondContact N-O 3.26Å; N711-K734 VanDerWaalsContact CA-O 3.25Å; N711-K734 WeakPolarHBondContact CA-O 3.35Å; N711-K734 HydrophobicContact CB-CB 4.16Å; N711-K734 HydrophobicContact CB-CD 4.44Å; N711-K734 VanDerWaalsContact OD1-CD 3.29Å; N711-K734 WeakPolarHBondContact OD1-CD 3.01Å
712N95Very high92.7Very high4 Ų437.5 Ų37.52%0.02119%0.193CC..SBendtrans-125-173.8171.8-81.1-83000109.7L686 N689 H690 L691 V709 T710 I714 K734 N735L686-N712 PolarHBondContact O-ND2 3.12Å; N689-N712 VanDerWaalsContact CA-OD1 3.29Å; N689-N712 WeakPolarHBondContact CA-OD1 3.48Å; N689-N712 WeakPolarHBondContact CB-OD1 3.49Å; N689-N712 PolarHBondContact N-OD1 3.14Å; N689-N712 PolarHBondContact O-OD1 3.28Å; H690-N712 PolarHBondContact N-OD1 2.61Å; L691-N712 HydrophobicContact CB-CB 4.28Å; L691-N712 WeakPolarHBondContact CB-OD1 3.49Å; L691-N712 WeakPolarHBondContact CG-OD1 3.4Å; L691-N712 PolarHBondContact N-OD1 2.99Å; V709-N712 PolarHBondContact O-ND2 2.9Å; T710-N712 PolarHBondContact O-ND2 3.26Å; N712-I714 HydrophobicContact CB-CD1 4.14Å; N712-I714 HydrophobicContact CB-CG1 4.07Å; N712-K734 PolarHBondContact N-O 3.5Å; N712-N735 WeakPolarHBondContact CA-OD1 3.44Å; N712-N735 WeakPolarHBondContact CB-OD1 3.48Å; N712-N735 PolarHBondContact N-OD1 2.87Å; N712-N735 PolarHBondContact O-OD1 3.29Å; N712-N735 VanDerWaalsContact O-OD1 3.1Å
713N93.8Very high92.7Very high86 Ų8639.1 Ų39.146%0.4619%0.194SC..  trans-110.736.5179.7-66-18.4000111.9L691 E715L691-N713 CarbonylContact O-C 3.17Å; L691-N713 WeakPolarHBondContact O-CA 3.25Å; L691-N713 PolarHBondContact O-N 2.93Å; N713-E715 PolarHBondContact O-N 2.9Å
714I94.4Very high92.6Very high1 Ų136.9 Ų36.91%0.00518%0.181CC..  trans-76.2124.4-174.4-59.1166.5000110.1L691 T692 I694 V709 N712 M716 L717 N735 S736 L737L691-I714 HydrophobicContact CB-CG1 4.36Å; L691-I714 PolarHBondContact O-N 3.47Å; T692-I714 WeakPolarHBondContact O-CA 3.4Å; I694-I714 HydrophobicContact CD1-CD1 3.87Å; I694-I714 HydrophobicContact CG1-CD1 4.05Å; V709-I714 HydrophobicContact CB-CD1 3.71Å; V709-I714 HydrophobicContact CG1-CD1 4.16Å; V709-I714 HydrophobicContact CG2-CD1 3.76Å; N712-I714 HydrophobicContact CB-CD1 4.14Å; N712-I714 HydrophobicContact CB-CG1 4.07Å; I714-M716 WeakPolarHBondContact CG2-O 3.35Å; I714-L717 HydrophobicContact CG2-CD2 4.24Å; I714-N735 HydrophobicContact CB-CB 4.42Å; I714-N735 WeakPolarHBondContact CB-OD1 3.29Å; I714-N735 PolarHBondContact N-OD1 2.84Å; I714-N735 VanDerWaalsContact N-OD1 3.15Å; I714-S736 CarbonylContact O-C 3.33Å; I714-S736 WeakPolarHBondContact O-CA 3.49Å; I714-S736 PolarHBondContact O-N 3.34Å; I714-L737 HydrophobicContact CG2-CD2 4.03Å; I714-L737 PolarHBondContact O-N 3.33Å
715E91.6Very high92.3Very high125 Ų12543.5 Ų43.558%0.58421%0.21SC*.  trans-90.7-37.6179.3-64.9-177177.900113.1N713N713-E715 PolarHBondContact O-N 2.9Å
716M89.4Confident92.1Very high146 Ų14644.4 Ų44.472%0.71921%0.213SC*.  trans-141.6147.2-179.3-64.8-170.4-65.800111.1I714I714-M716 WeakPolarHBondContact CG2-O 3.35Å
717L91.8Very high92Very high21 Ų2141.7 Ų41.711%0.1120%0.202CC..  trans-95.3138172.1-62.3173000109.9I694 I714 L721 F722 L732 L737 L740I694-L717 HydrophobicContact CD1-CD2 3.81Å; I714-L717 HydrophobicContact CG2-CD2 4.24Å; L717-L721 HydrophobicContact CB-CD2 4.44Å; L717-L721 HydrophobicContact CD1-CD2 4.25Å; L717-L721 HydrophobicContact CD2-CD2 4.19Å; L717-F722 HydrophobicContact CB-CZ 4.32Å; L717-F722 HydrophobicContact CD1-CZ 4.29Å; L717-L732 HydrophobicContact CD1-CD1 3.62Å; L717-L732 HydrophobicContact CD1-CD2 4.16Å; L717-L732 HydrophobicContact CD2-CD2 3.88Å; L717-L737 HydrophobicContact CD1-CD1 4.25Å; L717-L737 HydrophobicContact CD2-CD2 4.33Å; L717-L737 HydrophobicContact CG-CD1 4.41Å; L717-L737 HydrophobicContact CG-CD2 3.9Å; L717-L740 HydrophobicContact CD1-CD1 4.02Å
718P92.1Very high91.9Very high9 Ų945.8 Ų45.86%0.05822%0.221CC..  trans-68.9147.2175.129.3-35.4000111I694 E696 I698 G720 L721I694-P718 HydrophobicContact CB-CG 4.03Å; I694-P718 HydrophobicContact CG2-CG 4.02Å; I694-P718 WeakPolarHBondContact O-CG 3.47Å; E696-P718 VanDerWaalsContact CD-CB 3.41Å; E696-P718 HydrophobicContact CG-CB 4.06Å; E696-P718 WeakPolarHBondContact OE1-CA 3.49Å; E696-P718 VanDerWaalsContact OE1-CB 3.28Å; E696-P718 WeakPolarHBondContact OE1-CB 3.32Å; I698-P718 HydrophobicContact CG2-CG 3.94Å; P718-G720 PolarHBondContact O-N 3.26Å; P718-L721 HydrophobicContact CG-CB 4.33Å; P718-L721 WeakPolarHBondContact O-CB 3.5Å; P718-L721 PolarHBondContact O-N 2.87Å
719D88.3Confident91.8Very high76 Ų7646.7 Ų46.741%0.40623%0.228SC..G310 helixtrans-67.1-26.1178.5-73.6-33.9000111.3E696 L721 F722 S741 H743E696-D719 PolarHBondContact OE1-N 3.11Å; D719-L721 PolarHBondContact O-N 3.5Å; D719-F722 PolarHBondContact O-N 3.44Å; D719-S741 PolarHBondContact OD1-OG 3.26Å; D719-H743 IonicContact OD1-CD2 2.68Å
720G87.6Confident91.7Very high0 Ų046.7 Ų46.70%023%0.228CC..G310 helixtrans-56.5-26.6172.400000115E696 Q699 P718 F722 Q723E696-G720 WeakPolarHBondContact OE2-CA 3.12Å; E696-G720 PolarHBondContact OE2-N 2.89Å; Q699-G720 VanDerWaalsContact CA-O 3.31Å; Q699-G720 WeakPolarHBondContact CA-O 3.25Å; Q699-G720 WeakPolarHBondContact CB-O 3.2Å; P718-G720 PolarHBondContact O-N 3.26Å; G720-F722 VanDerWaalsContact C-N 3.27Å; G720-F722 PolarHBondContact O-N 2.93Å; G720-Q723 WeakPolarHBondContact O-CB 3.41Å; G720-Q723 PolarHBondContact O-N 3.45Å
721L91.3Very high91.7Very high0 Ų047 Ų470%023%0.229CC..G310 helixtrans-62.2-35.8177.7175.664.6000111.9I698 F707 L717 P718 D719 Q723 C724 L727 L730I698-L721 HydrophobicContact CD1-CD1 3.67Å; I698-L721 HydrophobicContact CG1-CD1 4.21Å; I698-L721 HydrophobicContact CG2-CB 4.03Å; F707-L721 HydrophobicContact CD1-CD1 3.73Å; F707-L721 HydrophobicContact CD1-CD2 4.48Å; F707-L721 HydrophobicContact CE1-CD1 3.91Å; F707-L721 HydrophobicContact CE1-CD2 4.35Å; L717-L721 HydrophobicContact CB-CD2 4.44Å; L717-L721 HydrophobicContact CD1-CD2 4.25Å; L717-L721 HydrophobicContact CD2-CD2 4.19Å; P718-L721 HydrophobicContact CG-CB 4.33Å; P718-L721 WeakPolarHBondContact O-CB 3.5Å; P718-L721 PolarHBondContact O-N 2.87Å; D719-L721 PolarHBondContact O-N 3.5Å; L721-Q723 PolarHBondContact O-N 3.19Å; L721-C724 WeakPolarHBondContact O-CB 3.2Å; L721-C724 PolarHBondContact O-N 3.06Å; L721-L727 HydrophobicContact CD1-CD1 4.16Å; L721-L730 HydrophobicContact CD2-CD1 4.28Å
722F89.6Confident91.7Very high1 Ų144.2 Ų44.20%0.00421%0.214CC..G310 helixtrans-77.9-11.7-175.7-52.7-69.5000112.8L717 D719 G720 C724 L740 S741 H743 V744 L747L717-F722 HydrophobicContact CB-CZ 4.32Å; L717-F722 HydrophobicContact CD1-CZ 4.29Å; D719-F722 PolarHBondContact O-N 3.44Å; G720-F722 VanDerWaalsContact C-N 3.27Å; G720-F722 PolarHBondContact O-N 2.93Å; F722-C724 PolarHBondContact O-N 3.26Å; F722-L740 HydrophobicContact CZ-CD1 4.5Å; F722-S741 VanDerWaalsContact CE2-CB 3.47Å; F722-H743 HydrophobicContact CB-CB 3.73Å; F722-H743 WeakPolarHBondContact CB-O 3.35Å; F722-H743 HydrophobicContact CD2-CB 3.61Å; F722-H743 HydrophobicContact CE2-CB 4.43Å; F722-H743 HydrophobicContact CG-CB 3.73Å; F722-V744 VanDerWaalsContact CD1-CA 3.44Å; F722-V744 HydrophobicContact CD1-CB 4.04Å; F722-V744 HydrophobicContact CD1-CG2 4.45Å; F722-V744 HydrophobicContact CE1-CB 3.77Å; F722-V744 HydrophobicContact CE1-CG2 4.14Å; F722-L747 HydrophobicContact CD1-CD1 4.02Å; F722-L747 HydrophobicContact CD1-CG 4.46Å; F722-L747 WeakPolarHBondContact O-CD2 3.47Å
723Q88.3Confident91.5Very high102 Ų10244 Ų4448%0.47721%0.213SC..G310 helixtrans-73.4-13.7171.9-58.5-176.915.700112.8Q699 G720 L721 K725Q699-Q723 HydrophobicContact CB-CB 4.3Å; Q699-Q723 VanDerWaalsContact OE1-OE1 3.14Å; G720-Q723 WeakPolarHBondContact O-CB 3.41Å; G720-Q723 PolarHBondContact O-N 3.45Å; L721-Q723 PolarHBondContact O-N 3.19Å; Q723-K725 VanDerWaalsContact C-N 3.3Å; Q723-K725 PolarHBondContact O-N 3.43Å
724C90.4Very high91.5Very high0 Ų045.1 Ų45.10%021%0.214CC..  trans-73.673.3176.1-65.70000112.1I698 L701 L721 F722 K726 L727 L747I698-C724 PolarHBondContact O-SG 2.92Å; L701-C724 PolarHBondContact O-SG 2.85Å; L701-C724 VanDerWaalsContact O-SG 3.37Å; L721-C724 WeakPolarHBondContact O-CB 3.2Å; L721-C724 PolarHBondContact O-N 3.06Å; F722-C724 PolarHBondContact O-N 3.26Å; C724-K726 PolarHBondContact O-N 3.19Å; C724-L727 HydrophobicContact CB-CB 4.4Å; C724-L727 HydrophobicContact CB-CD1 4.18Å; C724-L727 VanDerWaalsContact O-CB 3.23Å; C724-L727 WeakPolarHBondContact O-CB 3.5Å; C724-L727 PolarHBondContact O-N 3.15Å; C724-L747 VanDerWaalsContact O-CD2 3.32Å; C724-L747 WeakPolarHBondContact O-CD2 3.49Å
725K87.1Confident91.4Very high139 Ų13945.3 Ų45.360%0.60422%0.215SC*.THydrogen-bonded Turntrans-59.1-16.3-173.9-62.1-174179.5-174.80116.1Q723 L727 N749Q723-K725 VanDerWaalsContact C-N 3.3Å; Q723-K725 PolarHBondContact O-N 3.43Å; K725-L727 VanDerWaalsContact C-N 3.34Å; K725-N749 PolarHBondContact O-ND2 2.78Å
726K92.4Very high91.5Very high93 Ų9341.1 Ų41.140%0.40420%0.199SC..THydrogen-bonded Turntrans-87.6-1.4177.5-66.8-167.5-170.1170.10113.6N703 L704 Q705 C724 Q728N703-K726 PolarHBondContact OD1-NZ 2.99Å; L704-K726 CarbonylContact O-C 3.5Å; Q705-K726 HydrophobicContact CG-CB 4.38Å; C724-K726 PolarHBondContact O-N 3.19Å; K726-Q728 PolarHBondContact O-N 2.93Å
727L92.9Very high91.6Very high0 Ų034.2 Ų34.20%017%0.165CC..  trans-67.3124.3-174.7-153.9138.5000110.7L704 F707 L721 C724 K725 L730 L747 N749 L750L704-L727 HydrophobicContact CD2-CD1 3.98Å; L704-L727 HydrophobicContact CG-CD1 4.21Å; L704-L727 VanDerWaalsContact O-CA 3.28Å; L704-L727 WeakPolarHBondContact O-CA 3.17Å; L704-L727 PolarHBondContact O-N 3.04Å; L704-L727 VanDerWaalsContact O-N 3.08Å; F707-L727 HydrophobicContact CB-CD1 4.03Å; L721-L727 HydrophobicContact CD1-CD1 4.16Å; C724-L727 HydrophobicContact CB-CB 4.4Å; C724-L727 HydrophobicContact CB-CD1 4.18Å; C724-L727 VanDerWaalsContact O-CB 3.23Å; C724-L727 WeakPolarHBondContact O-CB 3.5Å; C724-L727 PolarHBondContact O-N 3.15Å; K725-L727 VanDerWaalsContact C-N 3.34Å; L727-L730 HydrophobicContact CD2-CB 3.62Å; L727-L730 HydrophobicContact CD2-CD1 4.24Å; L727-L730 HydrophobicContact CD2-CD2 4.44Å; L727-L730 HydrophobicContact CD2-CG 4.31Å; L727-L747 HydrophobicContact CB-CD2 4.23Å; L727-L747 HydrophobicContact CD2-CD1 4.44Å; L727-N749 CarbonylContact O-C 3.16Å; L727-N749 VanDerWaalsContact O-C 3.29Å; L727-L750 HydrophobicContact CD2-CD1 3.6Å; L727-L750 WeakPolarHBondContact O-CA 3.23Å; L727-L750 PolarHBondContact O-N 3.49Å
728Q93.3Very high91.5Very high86 Ų8639.3 Ų39.340%0.40219%0.19SC..  trans-111.3-35.9-176.7-65.7178.56.600111.9Q705 K726 N749 T751 H752Q705-Q728 WeakPolarHBondContact O-CA 3.06Å; Q705-Q728 PolarHBondContact O-N 2.84Å; K726-Q728 PolarHBondContact O-N 2.93Å; Q728-N749 WeakPolarHBondContact CA-O 3.45Å; Q728-T751 PolarHBondContact O-N 3.49Å; Q728-T751 PolarHBondContact O-OG1 3.12Å; Q728-H752 PolarHBondContact O-N 2.86Å
729C94.1Very high91.3Very high19 Ų1944 Ų4413%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-128.8118.9-177.2-171.50000109.6Q705 Y706 F707 H752Q705-C729 PolarHBondContact O-N 3.41Å; Y706-C729 HydrophobicContact CD2-CB 3.54Å; Y706-C729 HydrophobicContact CE2-CB 4.08Å; Y706-C729 VanDerWaalsContact CE2-SG 3.51Å; Y706-C729 HydrophobicContact CG-CB 4.33Å; F707-C729 PolarHBondContact N-O 3.48Å; C729-H752 WeakPolarHBondContact CA-O 3.09Å; C729-H752 HydrophobicContact CB-CB 4.38Å
730L94.4Very high91.3Very high0 Ų040.9 Ų40.90%020%0.197CC..EExtended strand (participates in β ladder)trans-121.8106.5178.1-173.352.8000109.5F707 L721 L727 L732 L750 H752 L753 E754F707-L730 HydrophobicContact CB-CD1 4.3Å; F707-L730 HydrophobicContact CD1-CD1 3.63Å; F707-L730 HydrophobicContact CG-CD1 4.43Å; F707-L730 WeakPolarHBondContact O-CA 3.27Å; L721-L730 HydrophobicContact CD2-CD1 4.28Å; L727-L730 HydrophobicContact CD2-CB 3.62Å; L727-L730 HydrophobicContact CD2-CD1 4.24Å; L727-L730 HydrophobicContact CD2-CD2 4.44Å; L727-L730 HydrophobicContact CD2-CG 4.31Å; L730-L732 HydrophobicContact CD1-CD1 4.29Å; L730-L732 HydrophobicContact CD1-CD2 3.9Å; L730-L732 HydrophobicContact CD1-CG 4.04Å; L730-L732 HydrophobicContact CD2-CD1 3.85Å; L730-L732 HydrophobicContact CD2-CG 4.45Å; L730-L732 HydrophobicContact CG-CD1 3.77Å; L730-L732 HydrophobicContact CG-CD2 4.26Å; L730-L732 HydrophobicContact CG-CG 3.84Å; L730-L750 HydrophobicContact CB-CD1 3.83Å; L730-H752 PolarHBondContact N-O 3.32Å; L730-L753 HydrophobicContact CB-CD1 3.86Å; L730-L753 HydrophobicContact CD2-CD1 3.85Å; L730-L753 HydrophobicContact CG-CD1 3.91Å; L730-L753 WeakPolarHBondContact O-CA 3.39Å; L730-E754 PolarHBondContact O-N 3.39Å
731L94.3Very high91.3Very high20 Ų2042 Ų4211%0.10521%0.205CC..EExtended strand (participates in β ladder)trans-106.1112.7178.7-51-178.9000110.5Y706 F707 A708 V709 T710 H752 E754Y706-L731 HydrophobicContact CE2-CD1 4.31Å; Y706-L731 WeakPolarHBondContact OH-CD1 3.48Å; F707-L731 PolarHBondContact O-N 3.04Å; A708-L731 HydrophobicContact CB-CB 3.89Å; A708-L731 HydrophobicContact CB-CD1 3.94Å; A708-L731 HydrophobicContact CB-CG 4.2Å; V709-L731 PolarHBondContact N-O 3.5Å; T710-L731 WeakPolarHBondContact OG1-CB 3.3Å; L731-H752 VanDerWaalsContact CD2-CD2 3.4Å; L731-H752 WeakPolarHBondContact CD2-CD2 3.41Å; L731-E754 HydrophobicContact CB-CB 4.46Å; L731-E754 HydrophobicContact CD2-CB 3.69Å
732L93.8Very high91.1Very high0 Ų045.1 Ų45.10%023%0.226CC..  trans-125.613.7-174.8-56.8166.5000112V709 L717 L730 N735 L737 L753 E754 L755 N758V709-L732 HydrophobicContact CG2-CD2 3.39Å; L717-L732 HydrophobicContact CD1-CD1 3.62Å; L717-L732 HydrophobicContact CD1-CD2 4.16Å; L717-L732 HydrophobicContact CD2-CD2 3.88Å; L730-L732 HydrophobicContact CD1-CD1 4.29Å; L730-L732 HydrophobicContact CD1-CD2 3.9Å; L730-L732 HydrophobicContact CD1-CG 4.04Å; L730-L732 HydrophobicContact CD2-CD1 3.85Å; L730-L732 HydrophobicContact CD2-CG 4.45Å; L730-L732 HydrophobicContact CG-CD1 3.77Å; L730-L732 HydrophobicContact CG-CD2 4.26Å; L730-L732 HydrophobicContact CG-CG 3.84Å; L732-N735 PolarHBondContact O-ND2 3.34Å; L732-L737 HydrophobicContact CB-CD1 4.09Å; L732-L737 HydrophobicContact CD1-CD1 4.28Å; L732-L753 HydrophobicContact CD1-CD1 4.32Å; L732-E754 CarbonylContact C-O 3.59Å; L732-E754 WeakPolarHBondContact CA-O 3.41Å; L732-E754 VanDerWaalsContact CB-O 3.29Å; L732-E754 WeakPolarHBondContact CB-O 3.26Å; L732-E754 PolarHBondContact N-O 2.97Å; L732-L755 HydrophobicContact CB-CD2 4.08Å; L732-L755 HydrophobicContact CD1-CD2 3.57Å; L732-L755 HydrophobicContact CG-CD2 4.44Å; L732-N758 PolarHBondContact O-ND2 3.46Å
733G91.6Very high91Very high0 Ų048.5 Ų48.50%024%0.241CC..  trans-60.2154.1-175.100000112.8T710 N711 N735 E754 I756T710-G733 CarbonylContact C-O 3.54Å; T710-G733 VanDerWaalsContact CA-O 3.22Å; T710-G733 WeakPolarHBondContact CA-O 3.36Å; T710-G733 WeakPolarHBondContact CG2-O 3.37Å; N711-G733 PolarHBondContact N-O 3.26Å; G733-N735 PolarHBondContact O-N 2.71Å; G733-N735 PolarHBondContact O-ND2 3.37Å; G733-E754 PolarHBondContact N-O 3.22Å; G733-I756 CarbonylContact C-O 3.25Å; G733-I756 WeakPolarHBondContact CA-O 3.36Å
734K92.4Very high90.9Very high110 Ų11043.7 Ų43.748%0.47822%0.219SC..SBendtrans52.150.2176.3-58.7-178.5-178.3174.80113.4N711 N712 I756 G757N711-K734 VanDerWaalsContact CA-O 3.25Å; N711-K734 WeakPolarHBondContact CA-O 3.35Å; N711-K734 HydrophobicContact CB-CB 4.16Å; N711-K734 HydrophobicContact CB-CD 4.44Å; N711-K734 VanDerWaalsContact OD1-CD 3.29Å; N711-K734 WeakPolarHBondContact OD1-CD 3.01Å; N712-K734 PolarHBondContact N-O 3.5Å; K734-I756 PolarHBondContact N-O 3.06Å; K734-G757 VanDerWaalsContact CA-O 3.28Å; K734-G757 WeakPolarHBondContact CA-O 3.35Å
735N93.9Very high90.6Very high5 Ų544.3 Ų44.33%0.02723%0.225CC..SBendtrans-115.7-172.7171.8-82.6-77.6000110V709 N712 I714 L732 G733 L737 N758V709-N735 PolarHBondContact O-ND2 3.25Å; N712-N735 WeakPolarHBondContact CA-OD1 3.44Å; N712-N735 WeakPolarHBondContact CB-OD1 3.48Å; N712-N735 PolarHBondContact N-OD1 2.87Å; N712-N735 PolarHBondContact O-OD1 3.29Å; N712-N735 VanDerWaalsContact O-OD1 3.1Å; I714-N735 HydrophobicContact CB-CB 4.42Å; I714-N735 WeakPolarHBondContact CB-OD1 3.29Å; I714-N735 PolarHBondContact N-OD1 2.84Å; I714-N735 VanDerWaalsContact N-OD1 3.15Å; L732-N735 PolarHBondContact O-ND2 3.34Å; G733-N735 PolarHBondContact O-N 2.71Å; G733-N735 PolarHBondContact O-ND2 3.37Å; N735-L737 HydrophobicContact CB-CG 4.2Å; N735-N758 VanDerWaalsContact CA-OD1 3.24Å; N735-N758 WeakPolarHBondContact CA-OD1 3.49Å; N735-N758 WeakPolarHBondContact CB-OD1 3.38Å; N735-N758 PolarHBondContact N-OD1 2.98Å; N735-N758 PolarHBondContact O-OD1 3.08Å
736S92.9Very high90.6Very high36 Ų3642.3 Ų42.325%0.25222%0.218SC..  trans-107.831.6177.4-62.40000112.4I714 M738I714-S736 CarbonylContact O-C 3.33Å; I714-S736 WeakPolarHBondContact O-CA 3.49Å; I714-S736 PolarHBondContact O-N 3.34Å; S736-M738 PolarHBondContact O-N 3.35Å
737L92.2Very high90.4Very high2 Ų237.9 Ų37.91%0.0120%0.199CC..  trans-68.4123.5-177.7-62.4172.3000111I714 L717 L732 N735 N758 Y759 L760I714-L737 HydrophobicContact CG2-CD2 4.03Å; I714-L737 PolarHBondContact O-N 3.33Å; L717-L737 HydrophobicContact CD1-CD1 4.25Å; L717-L737 HydrophobicContact CD2-CD2 4.33Å; L717-L737 HydrophobicContact CG-CD1 4.41Å; L717-L737 HydrophobicContact CG-CD2 3.9Å; L732-L737 HydrophobicContact CB-CD1 4.09Å; L732-L737 HydrophobicContact CD1-CD1 4.28Å; N735-L737 HydrophobicContact CB-CG 4.2Å; L737-N758 HydrophobicContact CB-CB 4.16Å; L737-N758 WeakPolarHBondContact CB-OD1 3.1Å; L737-N758 WeakPolarHBondContact CG-OD1 3.26Å; L737-N758 PolarHBondContact N-OD1 3.41Å; L737-N758 VanDerWaalsContact N-OD1 3.15Å; L737-Y759 CarbonylContact O-C 3.43Å; L737-Y759 WeakPolarHBondContact O-CA 3.39Å; L737-Y759 PolarHBondContact O-N 3.41Å; L737-L760 HydrophobicContact CB-CD2 4.2Å; L737-L760 PolarHBondContact O-N 3.41Å
738M89.3Confident90.1Very high128 Ų12840.2 Ų40.263%0.63122%0.215SC*.SBendtrans-87.2-40.4175.2-64.7-176.1-176.800112.3S736 L760S736-M738 PolarHBondContact O-N 3.35Å; M738-L760 WeakPolarHBondContact O-CA 3.47Å
739N87.7Confident89.9Confident107 Ų10739.4 Ų39.457%0.57221%0.214SC*.  trans-136.5150.2-179.9-70.8-20.2000110.3
740L87.7Confident89.7Confident10 Ų1038.5 Ų38.55%0.05221%0.208CC..  trans-100.4126.5168.4-176.366.6000108.8L717 F722 V744 L755 L760 P764L717-L740 HydrophobicContact CD1-CD1 4.02Å; F722-L740 HydrophobicContact CZ-CD1 4.5Å; L740-V744 HydrophobicContact CD2-CB 4.3Å; L740-V744 HydrophobicContact CD2-CG1 3.97Å; L740-V744 HydrophobicContact CD2-CG2 4.26Å; L740-V744 HydrophobicContact CG-CB 4.35Å; L740-V744 HydrophobicContact CG-CG1 4.24Å; L740-L755 HydrophobicContact CD1-CD2 4.42Å; L740-L755 HydrophobicContact CD2-CD1 4.01Å; L740-L760 HydrophobicContact CB-CD2 4.36Å; L740-P764 HydrophobicContact CB-CG 4.18Å; L740-P764 HydrophobicContact CD2-CG 3.99Å; L740-P764 HydrophobicContact CG-CG 4.15Å
741S88.4Confident89.5Confident24 Ų2441.3 Ų41.317%0.16823%0.225CC..  trans-60139.3179.7-178.10000111D719 F722 H743 V744D719-S741 PolarHBondContact OD1-OG 3.26Å; F722-S741 VanDerWaalsContact CE2-CB 3.47Å; S741-H743 PolarHBondContact O-N 2.85Å; S741-H743 VanDerWaalsContact O-N 3.12Å; S741-H743 PolarHBondContact OG-CD2 2.82Å; S741-V744 WeakPolarHBondContact O-CG1 3.45Å; S741-V744 PolarHBondContact O-N 2.79Å; S741-V744 VanDerWaalsContact O-N 3.17Å
742P85.8Confident89.3Confident65 Ų6542.8 Ų42.842%0.42223%0.231SC..G310 helixtrans-62-19.7178.926.3-35.4000112.7V744 G745 E766P742-V744 PolarHBondContact O-N 3.4Å; P742-G745 PolarHBondContact O-N 3.4Å; P742-E766 HydrophobicContact CB-CB 4.43Å; P742-E766 HydrophobicContact CB-CG 3.96Å; P742-E766 VanDerWaalsContact O-CB 3.26Å; P742-E766 WeakPolarHBondContact O-CB 3.08Å
743H88.5Confident89.2Confident73 Ų7342.8 Ų42.834%0.33823%0.231SC..G310 helixtrans-61.7-12.8175.6-68-64.7000113.8D719 F722 S741 G745 E746D719-H743 IonicContact OD1-CD2 2.68Å; F722-H743 HydrophobicContact CB-CB 3.73Å; F722-H743 WeakPolarHBondContact CB-O 3.35Å; F722-H743 HydrophobicContact CD2-CB 3.61Å; F722-H743 HydrophobicContact CE2-CB 4.43Å; F722-H743 HydrophobicContact CG-CB 3.73Å; S741-H743 PolarHBondContact O-N 2.85Å; S741-H743 VanDerWaalsContact O-N 3.12Å; S741-H743 PolarHBondContact OG-CD2 2.82Å; H743-G745 PolarHBondContact O-N 3.19Å; H743-G745 VanDerWaalsContact O-N 3.11Å; H743-E746 IonicContact CE1-OE1 3.5Å; H743-E746 IonicContact CG-OE1 2.8Å; H743-E746 IonicContact ND1-OE1 3.68Å; H743-E746 PolarHBondContact ND1-OE1 3.27Å; H743-E746 VanDerWaalsContact O-CB 3.31Å; H743-E746 WeakPolarHBondContact O-CB 3.49Å; H743-E746 WeakPolarHBondContact O-CG 2.78Å; H743-E746 PolarHBondContact O-N 3.33Å
744V86.4Confident89.2Confident0 Ų044.7 Ų44.70%024%0.24CC..G310 helixtrans-53.6-31.7171.3710000113F722 L740 S741 P742 E746 L747 L750 P764 L767 C770F722-V744 VanDerWaalsContact CD1-CA 3.44Å; F722-V744 HydrophobicContact CD1-CB 4.04Å; F722-V744 HydrophobicContact CD1-CG2 4.45Å; F722-V744 HydrophobicContact CE1-CB 3.77Å; F722-V744 HydrophobicContact CE1-CG2 4.14Å; L740-V744 HydrophobicContact CD2-CB 4.3Å; L740-V744 HydrophobicContact CD2-CG1 3.97Å; L740-V744 HydrophobicContact CD2-CG2 4.26Å; L740-V744 HydrophobicContact CG-CB 4.35Å; L740-V744 HydrophobicContact CG-CG1 4.24Å; S741-V744 WeakPolarHBondContact O-CG1 3.45Å; S741-V744 PolarHBondContact O-N 2.79Å; S741-V744 VanDerWaalsContact O-N 3.17Å; P742-V744 PolarHBondContact O-N 3.4Å; V744-E746 PolarHBondContact O-N 3.23Å; V744-L747 HydrophobicContact CG2-CD1 4.48Å; V744-L747 WeakPolarHBondContact O-CB 3.32Å; V744-L747 PolarHBondContact O-N 3.23Å; V744-L747 VanDerWaalsContact O-N 3.14Å; V744-L750 HydrophobicContact CG2-CD2 4.47Å; V744-P764 HydrophobicContact CG1-CG 3.87Å; V744-L767 HydrophobicContact CG1-CD2 3.79Å; V744-L767 HydrophobicContact CG1-CG 4Å; V744-L767 HydrophobicContact CG2-CD2 4.05Å; V744-C770 PolarHBondContact O-SG 3.28Å
745G83.4Confident89.1Confident13 Ų1339.6 Ų39.613%0.13422%0.218CC..G310 helixtrans-62.6-19.3176.800000114.8P742 H743 L747 E766 G769P742-G745 PolarHBondContact O-N 3.4Å; H743-G745 PolarHBondContact O-N 3.19Å; H743-G745 VanDerWaalsContact O-N 3.11Å; G745-L747 PolarHBondContact O-N 3.18Å; G745-E766 WeakPolarHBondContact CA-O 3.19Å; G745-G769 CarbonylContact O-C 3.2Å; G745-G769 WeakPolarHBondContact O-CA 3.35Å
746E87.5Confident89Confident97 Ų9742.5 Ų42.545%0.45323%0.233SC..G310 helixtrans-73.1-16.6177.4-60.4-176-164.200112.7H743 V744 S748H743-E746 IonicContact CE1-OE1 3.5Å; H743-E746 IonicContact CG-OE1 2.8Å; H743-E746 IonicContact ND1-OE1 3.68Å; H743-E746 PolarHBondContact ND1-OE1 3.27Å; H743-E746 VanDerWaalsContact O-CB 3.31Å; H743-E746 WeakPolarHBondContact O-CB 3.49Å; H743-E746 WeakPolarHBondContact O-CG 2.78Å; H743-E746 PolarHBondContact O-N 3.33Å; V744-E746 PolarHBondContact O-N 3.23Å; E746-S748 PolarHBondContact O-N 3.45Å
747L88.4Confident88.7Confident0 Ų042.4 Ų42.40%024%0.238CC..  trans-80.576.8178.6-60.1177000111.4F722 C724 L727 V744 G745 N749 L750 C770F722-L747 HydrophobicContact CD1-CD1 4.02Å; F722-L747 HydrophobicContact CD1-CG 4.46Å; F722-L747 WeakPolarHBondContact O-CD2 3.47Å; C724-L747 VanDerWaalsContact O-CD2 3.32Å; C724-L747 WeakPolarHBondContact O-CD2 3.49Å; L727-L747 HydrophobicContact CB-CD2 4.23Å; L727-L747 HydrophobicContact CD2-CD1 4.44Å; V744-L747 HydrophobicContact CG2-CD1 4.48Å; V744-L747 WeakPolarHBondContact O-CB 3.32Å; V744-L747 PolarHBondContact O-N 3.23Å; V744-L747 VanDerWaalsContact O-N 3.14Å; G745-L747 PolarHBondContact O-N 3.18Å; L747-N749 PolarHBondContact O-N 3.06Å; L747-L750 HydrophobicContact CB-CB 4.03Å; L747-L750 WeakPolarHBondContact O-CB 3.06Å; L747-L750 PolarHBondContact O-N 2.89Å; L747-C770 PolarHBondContact O-SG 3.36Å
748S85.7Confident88.6Confident50 Ų5042.9 Ų42.935%0.3524%0.24SC..THydrogen-bonded Turntrans-62.4-26.5-178.365.20000114.4E746 S772E746-S748 PolarHBondContact O-N 3.45Å; S748-S772 WeakPolarHBondContact O-CB 3.44Å; S748-S772 PolarHBondContact O-N 2.04Å; S748-S772 PolarHBondContact O-OG 3.1Å
749N89.6Confident88.6Confident69 Ų6944.8 Ų44.837%0.36924%0.241SC..THydrogen-bonded Turntrans-92.30.9-177.1-66.5-27000113.7K725 L727 Q728 L747 T751K725-N749 PolarHBondContact O-ND2 2.78Å; L727-N749 CarbonylContact O-C 3.16Å; L727-N749 VanDerWaalsContact O-C 3.29Å; Q728-N749 WeakPolarHBondContact CA-O 3.45Å; L747-N749 PolarHBondContact O-N 3.06Å; N749-T751 PolarHBondContact O-N 2.85Å
750L89.6Confident88.6Confident0 Ų040.4 Ų40.40%022%0.218CC..  trans-67121.2-178.3-16771.1000110.3L727 L730 V744 L747 L753 S772 L773L727-L750 HydrophobicContact CD2-CD1 3.6Å; L727-L750 WeakPolarHBondContact O-CA 3.23Å; L727-L750 PolarHBondContact O-N 3.49Å; L730-L750 HydrophobicContact CB-CD1 3.83Å; V744-L750 HydrophobicContact CG2-CD2 4.47Å; L747-L750 HydrophobicContact CB-CB 4.03Å; L747-L750 WeakPolarHBondContact O-CB 3.06Å; L747-L750 PolarHBondContact O-N 2.89Å; L750-L753 HydrophobicContact CD2-CB 4.09Å; L750-L753 HydrophobicContact CD2-CD1 4.43Å; L750-L753 HydrophobicContact CD2-CD2 4.16Å; L750-L753 HydrophobicContact CD2-CG 4.47Å; L750-S772 CarbonylContact O-C 3.6Å; L750-S772 WeakPolarHBondContact O-CB 3.49Å; L750-L773 HydrophobicContact CG-CD1 4.47Å; L750-L773 WeakPolarHBondContact O-CA 2.91Å; L750-L773 PolarHBondContact O-N 2.01Å
751T89.8Confident88.4Confident59 Ų5947.5 Ų47.536%0.36225%0.251SS..  trans-108.8-31.4179.560.20000112.3Q728 N749 C777Q728-T751 PolarHBondContact O-N 3.49Å; Q728-T751 PolarHBondContact O-OG1 3.12Å; N749-T751 PolarHBondContact O-N 2.85Å; T751-C777 WeakPolarHBondContact O-CB 3.49Å
752H91.1Very high88.3Confident51 Ų5150.2 Ų50.224%0.23627%0.267CS..EExtended strand (participates in β ladder)trans-134.7126.6-175.5-163.487.7000110.8Q728 C729 L730 L731 C777Q728-H752 PolarHBondContact O-N 2.86Å; C729-H752 WeakPolarHBondContact CA-O 3.09Å; C729-H752 HydrophobicContact CB-CB 4.38Å; L730-H752 PolarHBondContact N-O 3.32Å; L731-H752 VanDerWaalsContact CD2-CD2 3.4Å; L731-H752 WeakPolarHBondContact CD2-CD2 3.41Å; H752-C777 WeakPolarHBondContact CA-O 3.49Å; H752-C777 HydrophobicContact CB-CB 4.24Å; H752-C777 WeakPolarHBondContact ND1-CB 3.29Å; H752-C777 PolarHBondContact ND1-O 3.35Å
753L91.6Very high88.2Confident0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-137115.5-178.1179.259.7000109.5L730 L732 L750 L755 L767 L773 C777 L778 I779L730-L753 HydrophobicContact CB-CD1 3.86Å; L730-L753 HydrophobicContact CD2-CD1 3.85Å; L730-L753 HydrophobicContact CG-CD1 3.91Å; L730-L753 WeakPolarHBondContact O-CA 3.39Å; L732-L753 HydrophobicContact CD1-CD1 4.32Å; L750-L753 HydrophobicContact CD2-CB 4.09Å; L750-L753 HydrophobicContact CD2-CD1 4.43Å; L750-L753 HydrophobicContact CD2-CD2 4.16Å; L750-L753 HydrophobicContact CD2-CG 4.47Å; L753-L755 HydrophobicContact CD1-CD1 4.45Å; L753-L755 HydrophobicContact CD1-CD2 4.32Å; L753-L755 HydrophobicContact CD1-CG 4.16Å; L753-L755 HydrophobicContact CD2-CD1 3.95Å; L753-L755 HydrophobicContact CG-CD1 4.05Å; L753-L755 HydrophobicContact CG-CG 4.07Å; L753-L767 HydrophobicContact CD2-CD2 3.83Å; L753-L773 HydrophobicContact CB-CD1 4.02Å; L753-C777 PolarHBondContact N-O 3.12Å; L753-L778 HydrophobicContact CB-CD1 3.96Å; L753-L778 HydrophobicContact CD2-CD1 3.79Å; L753-L778 HydrophobicContact CG-CD1 3.99Å; L753-L778 CarbonylContact O-C 3.56Å; L753-L778 WeakPolarHBondContact O-CA 3.49Å; L753-I779 PolarHBondContact O-N 3.27Å
754E92.2Very high88.1Confident39 Ų3944.6 Ų44.618%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-110.2124175.7-178.7-175.4-168.700110.4L730 L731 L732 G733 I756 I779L730-E754 PolarHBondContact O-N 3.39Å; L731-E754 HydrophobicContact CB-CB 4.46Å; L731-E754 HydrophobicContact CD2-CB 3.69Å; L732-E754 CarbonylContact C-O 3.59Å; L732-E754 WeakPolarHBondContact CA-O 3.41Å; L732-E754 VanDerWaalsContact CB-O 3.29Å; L732-E754 WeakPolarHBondContact CB-O 3.26Å; L732-E754 PolarHBondContact N-O 2.97Å; G733-E754 PolarHBondContact N-O 3.22Å; E754-I756 HydrophobicContact CG-CG2 3.91Å; E754-I756 WeakPolarHBondContact OE1-CG2 3.45Å; E754-I779 HydrophobicContact CB-CB 4.2Å; E754-I779 HydrophobicContact CB-CD1 4.5Å; E754-I779 HydrophobicContact CG-CB 4.06Å; E754-I779 HydrophobicContact CG-CD1 4.5Å; E754-I779 HydrophobicContact CG-CG2 4.13Å
755L90.3Very high87.8Confident3 Ų347.6 Ų47.62%0.01626%0.256CS..  trans-131.54.9-178.6-66.4167.1000112.5L732 L740 L753 N758 L760 L763 I779 V780L732-L755 HydrophobicContact CB-CD2 4.08Å; L732-L755 HydrophobicContact CD1-CD2 3.57Å; L732-L755 HydrophobicContact CG-CD2 4.44Å; L740-L755 HydrophobicContact CD1-CD2 4.42Å; L740-L755 HydrophobicContact CD2-CD1 4.01Å; L753-L755 HydrophobicContact CD1-CD1 4.45Å; L753-L755 HydrophobicContact CD1-CD2 4.32Å; L753-L755 HydrophobicContact CD1-CG 4.16Å; L753-L755 HydrophobicContact CD2-CD1 3.95Å; L753-L755 HydrophobicContact CG-CD1 4.05Å; L753-L755 HydrophobicContact CG-CG 4.07Å; L755-N758 PolarHBondContact O-ND2 2.84Å; L755-L760 HydrophobicContact CB-CD1 3.94Å; L755-L760 HydrophobicContact CD1-CD1 4.18Å; L755-L760 HydrophobicContact CD2-CD1 4.16Å; L755-L760 HydrophobicContact CG-CD1 4.33Å; L755-L763 HydrophobicContact CD1-CD2 3.87Å; L755-I779 PolarHBondContact N-O 2.89Å; L755-V780 HydrophobicContact CB-CG1 3.78Å; L755-V780 HydrophobicContact CD1-CG1 3.71Å; L755-V780 HydrophobicContact CG-CG1 4.24Å
756I90Very high87.9Confident67 Ų6751.3 Ų51.334%0.34427%0.269SS..THydrogen-bonded Turntrans-60141.6-175.5-166167000112.5G733 K734 E754 I779 E781G733-I756 CarbonylContact C-O 3.25Å; G733-I756 WeakPolarHBondContact CA-O 3.36Å; K734-I756 PolarHBondContact N-O 3.06Å; E754-I756 HydrophobicContact CG-CG2 3.91Å; E754-I756 WeakPolarHBondContact OE1-CG2 3.45Å; I756-I779 HydrophobicContact CB-CG2 4.19Å; I756-I779 HydrophobicContact CD1-CG2 4.47Å; I756-I779 HydrophobicContact CG2-CG2 4.19Å; I756-I779 PolarHBondContact N-O 3.36Å; I756-E781 HydrophobicContact CG1-CG 4.45Å
757G86.9Confident87.7Confident34 Ų3446.9 Ų46.935%0.35125%0.249SC..THydrogen-bonded Turntrans72.131.3177.800000114.3K734K734-G757 VanDerWaalsContact CA-O 3.28Å; K734-G757 WeakPolarHBondContact CA-O 3.35Å
758N91.4Very high87.2Confident12 Ų1251.7 Ų51.76%0.06427%0.271CS..SBendtrans-105.5176.6166.9-77.6-76.8000110.3L732 N735 L737 L755 L760L732-N758 PolarHBondContact O-ND2 3.46Å; N735-N758 VanDerWaalsContact CA-OD1 3.24Å; N735-N758 WeakPolarHBondContact CA-OD1 3.49Å; N735-N758 WeakPolarHBondContact CB-OD1 3.38Å; N735-N758 PolarHBondContact N-OD1 2.98Å; N735-N758 PolarHBondContact O-OD1 3.08Å; L737-N758 HydrophobicContact CB-CB 4.16Å; L737-N758 WeakPolarHBondContact CB-OD1 3.1Å; L737-N758 WeakPolarHBondContact CG-OD1 3.26Å; L737-N758 PolarHBondContact N-OD1 3.41Å; L737-N758 VanDerWaalsContact N-OD1 3.15Å; L755-N758 PolarHBondContact O-ND2 2.84Å; N758-L760 HydrophobicContact CB-CD1 4.23Å; N758-L760 HydrophobicContact CB-CG 3.99Å
759Y88.7Confident86.9Confident168 Ų16850.9 Ų50.966%0.65927%0.271SS*.  trans-10137.5176.4-57.7-70.9000112.2L737L737-Y759 CarbonylContact O-C 3.43Å; L737-Y759 WeakPolarHBondContact O-CA 3.39Å; L737-Y759 PolarHBondContact O-N 3.41Å
760L87.4Confident86.5Confident14 Ų1447.6 Ų47.67%0.07325%0.254CS..  trans-69.9129.7-179.9-63.8168000110.1L737 M738 L740 L755 N758 L763 L784L737-L760 HydrophobicContact CB-CD2 4.2Å; L737-L760 PolarHBondContact O-N 3.41Å; M738-L760 WeakPolarHBondContact O-CA 3.47Å; L740-L760 HydrophobicContact CB-CD2 4.36Å; L755-L760 HydrophobicContact CB-CD1 3.94Å; L755-L760 HydrophobicContact CD1-CD1 4.18Å; L755-L760 HydrophobicContact CD2-CD1 4.16Å; L755-L760 HydrophobicContact CG-CD1 4.33Å; N758-L760 HydrophobicContact CB-CD1 4.23Å; N758-L760 HydrophobicContact CB-CG 3.99Å; L760-L763 HydrophobicContact CD1-CD2 4.3Å; L760-L784 HydrophobicContact CB-CD1 3.86Å; L760-L784 HydrophobicContact CB-CD2 4.22Å; L760-L784 WeakPolarHBondContact O-CD2 3.42Å
761E84.4Confident86Confident160 Ų16055.3 Ų55.375%0.74829%0.289SS*.SBendtrans-88.6-38.1173.3-68.4-171.9172.200112.4L784E761-L784 WeakPolarHBondContact O-CD2 3.46Å
762T85Confident85.7Confident81 Ų8154.9 Ų54.950%0.49729%0.289SS..  trans-143.7150.6-178.357.80000111.2
763L84.6Confident85.2Confident6 Ų652.8 Ų52.83%0.03128%0.279CS..  trans-95.3138.7170.5-67.1174.2000110.8L755 L760 L767 V780 L784 T787 L788L755-L763 HydrophobicContact CD1-CD2 3.87Å; L760-L763 HydrophobicContact CD1-CD2 4.3Å; L763-L767 HydrophobicContact CB-CD1 3.97Å; L763-L767 HydrophobicContact CD2-CD1 4.44Å; L763-V780 HydrophobicContact CD1-CG1 4.15Å; L763-V780 HydrophobicContact CD1-CG2 4.46Å; L763-V780 HydrophobicContact CD2-CG1 4.43Å; L763-L784 HydrophobicContact CD1-CB 4.09Å; L763-L784 HydrophobicContact CG-CB 4.22Å; L763-T787 PolarHBondContact N-OG1 2.95Å; L763-L788 HydrophobicContact CB-CD2 3.68Å; L763-L788 HydrophobicContact CB-CG 4.15Å; L763-L788 HydrophobicContact CD1-CD1 3.99Å; L763-L788 HydrophobicContact CD1-CD2 4.33Å; L763-L788 HydrophobicContact CD1-CG 4.1Å
764P85.4Confident84.7Confident13 Ų1357.2 Ų57.28%0.08430%0.299CS..  trans-67.4135.9-179.325-31.8000111.3L740 V744 E766 L767L740-P764 HydrophobicContact CB-CG 4.18Å; L740-P764 HydrophobicContact CD2-CG 3.99Å; L740-P764 HydrophobicContact CG-CG 4.15Å; V744-P764 HydrophobicContact CG1-CG 3.87Å; P764-E766 VanDerWaalsContact CB-OE2 3.3Å; P764-E766 WeakPolarHBondContact CB-OE2 3.34Å; P764-E766 PolarHBondContact O-N 2.9Å; P764-L767 HydrophobicContact CG-CD1 4.32Å; P764-L767 HydrophobicContact CG-CG 4.28Å; P764-L767 PolarHBondContact O-N 3.3Å
765P81.3Confident84Confident64 Ų6459.8 Ų59.842%0.41631%0.307SS..G310 helixtrans-61.9-22.8176.726.8-35.2000112.6L767 E768 P789P765-L767 PolarHBondContact O-N 3.33Å; P765-E768 PolarHBondContact O-N 3.07Å; P765-E768 VanDerWaalsContact O-N 3.09Å; P765-P789 HydrophobicContact CB-CG 3.76Å
766E85.3Confident83.2Confident90 Ų9064.2 Ų64.242%0.42134%0.338SS..G310 helixtrans-62.6-10.5177.4-64.476-165.200113.7P742 G745 P764 E768 G769P742-E766 HydrophobicContact CB-CB 4.43Å; P742-E766 HydrophobicContact CB-CG 3.96Å; P742-E766 VanDerWaalsContact O-CB 3.26Å; P742-E766 WeakPolarHBondContact O-CB 3.08Å; G745-E766 WeakPolarHBondContact CA-O 3.19Å; P764-E766 VanDerWaalsContact CB-OE2 3.3Å; P764-E766 WeakPolarHBondContact CB-OE2 3.34Å; P764-E766 PolarHBondContact O-N 2.9Å; E766-E768 PolarHBondContact O-N 2.88Å; E766-G769 PolarHBondContact O-N 3.38Å
767L83.1Confident82.7Confident4 Ų462.6 Ų62.62%0.02133%0.333CS..G310 helixtrans-56.5-18166.8-77.8164.1000113.1V744 L753 L763 P764 P765 G769 C770 L773 L788 R795V744-L767 HydrophobicContact CG1-CD2 3.79Å; V744-L767 HydrophobicContact CG1-CG 4Å; V744-L767 HydrophobicContact CG2-CD2 4.05Å; L753-L767 HydrophobicContact CD2-CD2 3.83Å; L763-L767 HydrophobicContact CB-CD1 3.97Å; L763-L767 HydrophobicContact CD2-CD1 4.44Å; P764-L767 HydrophobicContact CG-CD1 4.32Å; P764-L767 HydrophobicContact CG-CG 4.28Å; P764-L767 PolarHBondContact O-N 3.3Å; P765-L767 PolarHBondContact O-N 3.33Å; L767-G769 PolarHBondContact O-N 3.11Å; L767-C770 PolarHBondContact O-N 3.2Å; L767-L773 HydrophobicContact CD2-CD2 4.46Å; L767-L788 HydrophobicContact CD1-CD2 4.07Å; L767-R795 PolarHBondContact O-NH2 3.18Å
768E77.8Confident82.7Confident101 Ų10161.6 Ų61.647%0.47232%0.319SS..G310 helixtrans-56.9-32.2166.6-160.4-179.5165.300112.5P765 E766 C770 V792 R795P765-E768 PolarHBondContact O-N 3.07Å; P765-E768 VanDerWaalsContact O-N 3.09Å; E766-E768 PolarHBondContact O-N 2.88Å; E768-C770 PolarHBondContact O-N 3.31Å; E768-V792 HydrophobicContact CB-CG2 3.85Å; E768-V792 HydrophobicContact CG-CG2 4.18Å; E768-R795 VanDerWaalsContact O-CZ 3.23Å; E768-R795 PolarHBondContact O-NH1 3.46Å; E768-R795 PolarHBondContact O-NH2 3.34Å
769G78.9Confident82.4Confident34 Ų3463.9 Ų63.935%0.35133%0.33SS..G310 helixtrans-62.1-25.2178.700000114.1G745 E766 L767 Q771G745-G769 CarbonylContact O-C 3.2Å; G745-G769 WeakPolarHBondContact O-CA 3.35Å; E766-G769 PolarHBondContact O-N 3.38Å; L767-G769 PolarHBondContact O-N 3.11Å; G769-Q771 PolarHBondContact O-N 2.92Å
770C82.8Confident82.3Confident0 Ų056.6 Ų56.60%030%0.303CS..  trans-7781.9178.1-58.30000111.4V744 L747 L767 E768 S772 L773 R795V744-C770 PolarHBondContact O-SG 3.28Å; L747-C770 PolarHBondContact O-SG 3.36Å; L767-C770 PolarHBondContact O-N 3.2Å; E768-C770 PolarHBondContact O-N 3.31Å; C770-S772 PolarHBondContact O-N 3.05Å; C770-L773 HydrophobicContact CB-CB 3.86Å; C770-L773 HydrophobicContact CB-CD2 4.36Å; C770-L773 PolarHBondContact O-N 2.85Å; C770-R795 PolarHBondContact O-NH2 2.73Å
771Q78.6Confident82.2Confident161 Ų16159.7 Ų59.775%0.75232%0.317SS*.THydrogen-bonded Turntrans-61.9-25.5-176.4-64.4-177.54.800114.4G769G769-Q771 PolarHBondContact O-N 2.92Å
772S82.6Confident82Confident50 Ų5059.7 Ų59.735%0.3532%0.317SS..THydrogen-bonded Turntrans-90.1-6.1-176.9-540000113.9S748 L750 C770S748-S772 WeakPolarHBondContact O-CB 3.44Å; S748-S772 PolarHBondContact O-N 2.04Å; S748-S772 PolarHBondContact O-OG 3.1Å; L750-S772 CarbonylContact O-C 3.6Å; L750-S772 WeakPolarHBondContact O-CB 3.49Å; C770-S772 PolarHBondContact O-N 3.05Å
773L81.4Confident81.8Confident7 Ų761.7 Ų61.74%0.03733%0.325CS..  trans-82122.4-174.4-172.271000110.3L750 L753 L767 C770 L778 L796L750-L773 HydrophobicContact CG-CD1 4.47Å; L750-L773 WeakPolarHBondContact O-CA 2.91Å; L750-L773 PolarHBondContact O-N 2.01Å; L753-L773 HydrophobicContact CB-CD1 4.02Å; L767-L773 HydrophobicContact CD2-CD2 4.46Å; C770-L773 HydrophobicContact CB-CB 3.86Å; C770-L773 HydrophobicContact CB-CD2 4.36Å; C770-L773 PolarHBondContact O-N 2.85Å; L773-L778 HydrophobicContact CD2-CD1 4.32Å; L773-L796 WeakPolarHBondContact O-CD2 3.44Å
774K81.1Confident81.6Confident94 Ų9462 Ų6241%0.40933%0.327SS..  trans-102.6152.9176.2-64-176.7-179.8-1780110.8S776 C777 L778 C799K774-S776 VanDerWaalsContact C-N 3.26Å; K774-S776 PolarHBondContact O-N 2.8Å; K774-C777 PolarHBondContact O-N 2.68Å; K774-L778 PolarHBondContact O-N 3Å; K774-C799 HydrophobicContact CD-CB 4.31Å; K774-C799 HydrophobicContact CG-CB 4.17Å
775R76.3Confident81.2Confident92 Ų9262.3 Ų62.335%0.34733%0.328SS..G310 helixtrans-55.9-38.6175.4-173.6172.117687.35.8113.4C777 L778 L796R775-C777 PolarHBondContact O-N 2.9Å; R775-C777 VanDerWaalsContact O-N 3.13Å; R775-L778 PolarHBondContact O-N 2.89Å; R775-L796 HydrophobicContact CB-CB 3.99Å; R775-L796 WeakPolarHBondContact CB-O 2.95Å
776S74.6Confident80.9Confident97 Ų9765.7 Ų65.768%0.67834%0.342SS*.G310 helixtrans-62.1-18.2178.956.30000113.8K774K774-S776 VanDerWaalsContact C-N 3.26Å; K774-S776 PolarHBondContact O-N 2.8Å
777C80.3Confident80.5Confident33 Ų3364.3 Ų64.322%0.22334%0.34CS..G310 helixtrans-116.94.8-174.7-600000112.8T751 H752 L753 K774 R775T751-C777 WeakPolarHBondContact O-CB 3.49Å; H752-C777 WeakPolarHBondContact CA-O 3.49Å; H752-C777 HydrophobicContact CB-CB 4.24Å; H752-C777 WeakPolarHBondContact ND1-CB 3.29Å; H752-C777 PolarHBondContact ND1-O 3.35Å; L753-C777 PolarHBondContact N-O 3.12Å; K774-C777 PolarHBondContact O-N 2.68Å; R775-C777 PolarHBondContact O-N 2.9Å; R775-C777 VanDerWaalsContact O-N 3.13Å
778L85Confident80.2Confident12 Ų1264.7 Ų64.76%0.06334%0.342CS..EExtended strand (participates in β ladder)trans-99.2100.7170.2178.262.9000108.3L753 L773 K774 R775 V780 L785 L796L753-L778 HydrophobicContact CB-CD1 3.96Å; L753-L778 HydrophobicContact CD2-CD1 3.79Å; L753-L778 HydrophobicContact CG-CD1 3.99Å; L753-L778 CarbonylContact O-C 3.56Å; L753-L778 WeakPolarHBondContact O-CA 3.49Å; L773-L778 HydrophobicContact CD2-CD1 4.32Å; K774-L778 PolarHBondContact O-N 3Å; R775-L778 PolarHBondContact O-N 2.89Å; L778-V780 HydrophobicContact CD1-CG1 3.85Å; L778-V780 HydrophobicContact CD2-CG2 4.33Å; L778-V780 HydrophobicContact CG-CG1 4.15Å; L778-V780 HydrophobicContact CG-CG2 4Å; L778-L785 HydrophobicContact CD2-CD2 4.39Å; L778-L796 HydrophobicContact CD2-CD1 4.09Å
779I86.5Confident80Confident60 Ų6062.2 Ų62.231%0.30834%0.335SS..EExtended strand (participates in β ladder)trans-98.598.6-178.1-53.8175000108.2L753 E754 L755 I756L753-I779 PolarHBondContact O-N 3.27Å; E754-I779 HydrophobicContact CB-CB 4.2Å; E754-I779 HydrophobicContact CB-CD1 4.5Å; E754-I779 HydrophobicContact CG-CB 4.06Å; E754-I779 HydrophobicContact CG-CD1 4.5Å; E754-I779 HydrophobicContact CG-CG2 4.13Å; L755-I779 PolarHBondContact N-O 2.89Å; I756-I779 HydrophobicContact CB-CG2 4.19Å; I756-I779 HydrophobicContact CD1-CG2 4.47Å; I756-I779 HydrophobicContact CG2-CG2 4.19Å; I756-I779 PolarHBondContact N-O 3.36Å
780V86.9Confident79.5Confident15 Ų1567 Ų679%0.09135%0.351CS..  trans-137.8163.5-178.7-73.30000108.9L755 L763 L778 L785L755-V780 HydrophobicContact CB-CG1 3.78Å; L755-V780 HydrophobicContact CD1-CG1 3.71Å; L755-V780 HydrophobicContact CG-CG1 4.24Å; L763-V780 HydrophobicContact CD1-CG1 4.15Å; L763-V780 HydrophobicContact CD1-CG2 4.46Å; L763-V780 HydrophobicContact CD2-CG1 4.43Å; L778-V780 HydrophobicContact CD1-CG1 3.85Å; L778-V780 HydrophobicContact CD2-CG2 4.33Å; L778-V780 HydrophobicContact CG-CG1 4.15Å; L778-V780 HydrophobicContact CG-CG2 4Å; V780-L785 HydrophobicContact CG2-CD1 3.57Å; V780-L785 HydrophobicContact CG2-CD2 3.9Å; V780-L785 HydrophobicContact CG2-CG 3.43Å; V780-L785 VanDerWaalsContact CG2-CG 3.43Å
781E84.8Confident78.7Confident79 Ų7970.5 Ų70.537%0.36937%0.374SS..  trans-66142.9173.6-58.1-174.3172.200111.3I756 N783 L784 L785I756-E781 HydrophobicContact CG1-CG 4.45Å; E781-N783 PolarHBondContact O-N 3.1Å; E781-N783 VanDerWaalsContact O-N 3.16Å; E781-L784 HydrophobicContact CB-CD1 4.21Å; E781-L784 WeakPolarHBondContact O-CB 3.43Å; E781-L784 PolarHBondContact O-N 3.35Å; E781-L785 PolarHBondContact O-N 2.94Å
782E79.8Confident78.3Confident160 Ų16062.9 Ų62.975%0.74834%0.339SS*.Hα-helixtrans-58.5-31.9-176.8-68.6-169.5161.500113.1L784 L785E782-L784 VanDerWaalsContact C-N 3.31Å; E782-L784 PolarHBondContact O-N 2.96Å; E782-L785 PolarHBondContact O-N 2.98Å
783N80.6Confident77.6Confident124 Ų12461.5 Ų61.566%0.66333%0.328SS*.Hα-helixtrans-65.8-34.7178.4-61.1-23.7000112.1E781E781-N783 PolarHBondContact O-N 3.1Å; E781-N783 VanDerWaalsContact O-N 3.16Å
784L79.8Confident76.9Confident11 Ų1167 Ų676%0.05835%0.354CS..Hα-helixtrans-76.7-31.1-179.8-74.8164.4000112.3L760 E761 L763 E781 E782 N786 T787L760-L784 HydrophobicContact CB-CD1 3.86Å; L760-L784 HydrophobicContact CB-CD2 4.22Å; L760-L784 WeakPolarHBondContact O-CD2 3.42Å; E761-L784 WeakPolarHBondContact O-CD2 3.46Å; L763-L784 HydrophobicContact CD1-CB 4.09Å; L763-L784 HydrophobicContact CG-CB 4.22Å; E781-L784 HydrophobicContact CB-CD1 4.21Å; E781-L784 WeakPolarHBondContact O-CB 3.43Å; E781-L784 PolarHBondContact O-N 3.35Å; E782-L784 VanDerWaalsContact C-N 3.31Å; E782-L784 PolarHBondContact O-N 2.96Å; L784-N786 PolarHBondContact O-N 3.3Å; L784-T787 WeakPolarHBondContact O-CB 3.36Å; L784-T787 PolarHBondContact O-N 3.4Å; L784-T787 PolarHBondContact O-OG1 3.15Å
785L77.3Confident76.4Confident21 Ų2165.8 Ų65.811%0.1135%0.347CS..Hα-helixtrans-58.7-30.2174.2-82.4146.2000112.7L778 V780 E781 E782 T787L778-L785 HydrophobicContact CD2-CD2 4.39Å; V780-L785 HydrophobicContact CG2-CD1 3.57Å; V780-L785 HydrophobicContact CG2-CD2 3.9Å; V780-L785 HydrophobicContact CG2-CG 3.43Å; V780-L785 VanDerWaalsContact CG2-CG 3.43Å; E781-L785 PolarHBondContact O-N 2.94Å; E782-L785 PolarHBondContact O-N 2.98Å; L785-T787 VanDerWaalsContact C-N 3.27Å; L785-T787 PolarHBondContact O-N 2.87Å
786N75.1Confident75.9Confident135 Ų13561.6 Ų61.672%0.72233%0.331SS*.THydrogen-bonded Turntrans-76.2-13.7178.7-62.2-30000113.3L784L784-N786 PolarHBondContact O-N 3.3Å
787T77.5Confident75.2Confident60 Ų6061.9 Ų61.937%0.36832%0.322SS..THydrogen-bonded Turntrans-83.2-13.7177.968.20000113L763 L784 L785L763-T787 PolarHBondContact N-OG1 2.95Å; L784-T787 WeakPolarHBondContact O-CB 3.36Å; L784-T787 PolarHBondContact O-N 3.4Å; L784-T787 PolarHBondContact O-OG1 3.15Å; L785-T787 VanDerWaalsContact C-N 3.27Å; L785-T787 PolarHBondContact O-N 2.87Å
788L75.8Confident73.8Confident12 Ų1265.3 Ų65.36%0.06334%0.342CS..SBendtrans-73.8143.6179.8-71.7167.4000111.4L763 L767 V792 T793L763-L788 HydrophobicContact CB-CD2 3.68Å; L763-L788 HydrophobicContact CB-CG 4.15Å; L763-L788 HydrophobicContact CD1-CD1 3.99Å; L763-L788 HydrophobicContact CD1-CD2 4.33Å; L763-L788 HydrophobicContact CD1-CG 4.1Å; L767-L788 HydrophobicContact CD1-CD2 4.07Å; L788-V792 HydrophobicContact CD2-CG1 4.39Å; L788-T793 HydrophobicContact CB-CG2 3.93Å
789P74.5Confident71.7Confident50 Ų5067.7 Ų67.733%0.32536%0.359SS..  trans-59.8144.5174-19.529.6000112.3P765 P791 V792 T793P765-P789 HydrophobicContact CB-CG 3.76Å; P789-P791 VanDerWaalsContact C-CD 3.41Å; P789-P791 VanDerWaalsContact C-N 3.34Å; P789-P791 HydrophobicContact CB-CG 4.08Å; P789-V792 HydrophobicContact CB-CG2 4.37Å; P789-V792 HydrophobicContact CG-CG2 4.35Å; P789-V792 WeakPolarHBondContact O-CB 3.26Å; P789-V792 PolarHBondContact O-N 3.01Å; P789-T793 PolarHBondContact O-N 3.41Å; P789-T793 PolarHBondContact O-OG1 3.37Å
790L68.2Low69.4Low133 Ų13371.4 Ų71.470%0.69638%0.379SS*.Hα-helixtrans-42.2-47.1174.9-71.6168.8000115V792 T793 E794L790-V792 VanDerWaalsContact C-N 3.29Å; L790-V792 PolarHBondContact O-N 3.47Å; L790-T793 VanDerWaalsContact CA-OG1 3.26Å; L790-T793 WeakPolarHBondContact CA-OG1 3.45Å; L790-T793 PolarHBondContact O-N 3.36Å; L790-T793 PolarHBondContact O-OG1 2.78Å; L790-E794 PolarHBondContact O-N 2.98Å
791P67.3Low66.8Low74 Ų7477.9 Ų77.948%0.48141%0.413SS..Hα-helixtrans-61.6-32.8179.120.5-32.4000113.9P789 R795P789-P791 VanDerWaalsContact C-CD 3.41Å; P789-P791 VanDerWaalsContact C-N 3.34Å; P789-P791 HydrophobicContact CB-CG 4.08Å; P791-R795 PolarHBondContact O-N 2.92Å
792V68.9Low64.3Low1 Ų183.2 Ų83.21%0.00644%0.435CS..Hα-helixtrans-72.9-42.6177.3-173.70000110.3E768 L788 P789 L790 R795 L796E768-V792 HydrophobicContact CB-CG2 3.85Å; E768-V792 HydrophobicContact CG-CG2 4.18Å; L788-V792 HydrophobicContact CD2-CG1 4.39Å; P789-V792 HydrophobicContact CB-CG2 4.37Å; P789-V792 HydrophobicContact CG-CG2 4.35Å; P789-V792 WeakPolarHBondContact O-CB 3.26Å; P789-V792 PolarHBondContact O-N 3.01Å; L790-V792 VanDerWaalsContact C-N 3.29Å; L790-V792 PolarHBondContact O-N 3.47Å; V792-R795 PolarHBondContact O-N 2.98Å; V792-L796 HydrophobicContact CG1-CD1 3.95Å; V792-L796 WeakPolarHBondContact O-CB 3.24Å; V792-L796 VanDerWaalsContact O-CG 3.28Å; V792-L796 WeakPolarHBondContact O-CG 3.33Å; V792-L796 PolarHBondContact O-N 3.48Å; V792-L796 VanDerWaalsContact O-N 3.11Å
793T67.9Low61.9Low22 Ų2285.4 Ų85.414%0.13547%0.465CS..Hα-helixtrans-65.9-38.1179.147.70000113.4L788 P789 L790 L796 Q797L788-T793 HydrophobicContact CB-CG2 3.93Å; P789-T793 PolarHBondContact O-N 3.41Å; P789-T793 PolarHBondContact O-OG1 3.37Å; L790-T793 VanDerWaalsContact CA-OG1 3.26Å; L790-T793 WeakPolarHBondContact CA-OG1 3.45Å; L790-T793 PolarHBondContact O-N 3.36Å; L790-T793 PolarHBondContact O-OG1 2.78Å; T793-L796 PolarHBondContact O-N 2.99Å; T793-Q797 WeakPolarHBondContact O-CG 3.38Å; T793-Q797 PolarHBondContact O-N 3.3Å
794E66.4Low60.9Low123 Ų12383.5 Ų83.558%0.57546%0.456SS*.Hα-helixtrans-67.7-41.9177.3-74.8-176.9171.300112.1L790 L796 Q797 T798L790-E794 PolarHBondContact O-N 2.98Å; E794-L796 VanDerWaalsContact C-N 3.33Å; E794-L796 PolarHBondContact O-N 3.5Å; E794-Q797 PolarHBondContact O-N 3.24Å; E794-T798 WeakPolarHBondContact O-CG2 3.43Å; E794-T798 PolarHBondContact O-N 3.37Å; E794-T798 PolarHBondContact O-OG1 3.36Å
795R71.7Confident59.9Low67 Ų6787.3 Ų87.325%0.25348%0.476SS..Hα-helixtrans-62.9-40.8175.3-169.3-171.872.3163.9-0.8112L767 E768 C770 P791 V792 Q797 T798L767-R795 PolarHBondContact O-NH2 3.18Å; E768-R795 VanDerWaalsContact O-CZ 3.23Å; E768-R795 PolarHBondContact O-NH1 3.46Å; E768-R795 PolarHBondContact O-NH2 3.34Å; C770-R795 PolarHBondContact O-NH2 2.73Å; P791-R795 PolarHBondContact O-N 2.92Å; V792-R795 PolarHBondContact O-N 2.98Å; R795-Q797 VanDerWaalsContact C-N 3.35Å; R795-T798 PolarHBondContact O-OG1 3.3Å
796L64.8Low59Low5 Ų590.9 Ų90.93%0.02650%0.497CS..Hα-helixtrans-67-36.1178.1-73.5171.6000111.5L773 R775 L778 V792 T793 E794L773-L796 WeakPolarHBondContact O-CD2 3.44Å; R775-L796 HydrophobicContact CB-CB 3.99Å; R775-L796 WeakPolarHBondContact CB-O 2.95Å; L778-L796 HydrophobicContact CD2-CD1 4.09Å; V792-L796 HydrophobicContact CG1-CD1 3.95Å; V792-L796 WeakPolarHBondContact O-CB 3.24Å; V792-L796 VanDerWaalsContact O-CG 3.28Å; V792-L796 WeakPolarHBondContact O-CG 3.33Å; V792-L796 PolarHBondContact O-N 3.48Å; V792-L796 VanDerWaalsContact O-N 3.11Å; T793-L796 PolarHBondContact O-N 2.99Å; E794-L796 VanDerWaalsContact C-N 3.33Å; E794-L796 PolarHBondContact O-N 3.5Å
797Q59.8Low58Low102 Ų10288.4 Ų88.448%0.47748%0.484SS..Hα-helixtrans-73.9-33.9177.9-79.9176.5-14.500114.5T793 E794 R795 C799 L800T793-Q797 WeakPolarHBondContact O-CG 3.38Å; T793-Q797 PolarHBondContact O-N 3.3Å; E794-Q797 PolarHBondContact O-N 3.24Å; R795-Q797 VanDerWaalsContact C-N 3.35Å; Q797-C799 PolarHBondContact O-N 3.28Å; Q797-C799 VanDerWaalsContact O-N 3.12Å; Q797-L800 PolarHBondContact O-N 3.38Å
798T50.7Low56.8Low105 Ų10590.1 Ų90.164%0.64449%0.491SS*.G310 helixtrans-69.1-7.2-175.242.20000115.2E794 R795 L800E794-T798 WeakPolarHBondContact O-CG2 3.43Å; E794-T798 PolarHBondContact O-N 3.37Å; E794-T798 PolarHBondContact O-OG1 3.36Å; R795-T798 PolarHBondContact O-OG1 3.3Å; T798-L800 VanDerWaalsContact C-N 3.33Å; T798-L800 PolarHBondContact O-N 3.38Å
799C42.3Very low55.5Low63 Ų6395.3 Ų95.343%0.42652%0.519SS..G310 helixtrans-86.58.3177.3-73.70000115K774 Q797 D801K774-C799 HydrophobicContact CD-CB 4.31Å; K774-C799 HydrophobicContact CG-CB 4.17Å; Q797-C799 PolarHBondContact O-N 3.28Å; Q797-C799 VanDerWaalsContact O-N 3.12Å; C799-D801 VanDerWaalsContact C-N 3.31Å; C799-D801 PolarHBondContact O-N 3.5Å
800L37.7Very low54.2Low138 Ų13898.6 Ų98.672%0.72353%0.533SS*.G310 helixtrans-72.9-10.6-177.3-86.4161.1000115.3Q797 T798Q797-L800 PolarHBondContact O-N 3.38Å; T798-L800 VanDerWaalsContact C-N 3.33Å; T798-L800 PolarHBondContact O-N 3.38Å
801D31.2Very low53.1Low150 Ų15095.9 Ų95.980%0.80252%0.521SS*.G310 helixtrans-100.312.7-167-72.8-16.2000116.5C799C799-D801 VanDerWaalsContact C-N 3.31Å; C799-D801 PolarHBondContact O-N 3.5Å
802K33.8Very low51.9Low191 Ų19197.8 Ų97.883%0.8352%0.524SS*.  trans-141.985.7172.4-70.4-172.7-178.7176.40112.9
803C27.9Very low50.4Low206 Ų206106.5 Ų106.5100%1.39257%0.571SS**  trans-145.70146.1-99.20000108.9

Retrieved 803 of 803 residues in 259.7 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).