A0A087XGE5_POEFO Loading...

ArfGAP with GTPase domain, ankyrin repeat and PH domain 1

AlphaFold DB , UniProt , Accession A0A087XGE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 864 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
1M43.1Very low61.3Low203 Ų20396.5 Ų96.5100%150%0.5SS*.  0-71.60-73.4-174.2-102.700111.7Y3 Q4 L5M1-Y3 PolarHBondContact O-N 2.81Å; M1-Y3 VanDerWaalsContact O-N 3.1Å; M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 3.16Å
2N53Low62.2Low121 Ų12190.5 Ų90.565%0.64748%0.476SS*.Hα-helixtrans-47.4-46.2-169-60.316.7000116.1Q4 L5 H6N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 2.73Å; N2-L5 WeakPolarHBondContact O-CB 3.31Å; N2-L5 PolarHBondContact O-N 3.2Å; N2-H6 PolarHBondContact O-CD2 3.5Å; N2-H6 PolarHBondContact O-N 3.39Å
3Y53.8Low63.4Low180 Ų18083.5 Ų83.571%0.70644%0.439SS*.Hα-helixtrans-57.4-40178.8-177.6-107.8000113.6M1 L5 H6 L7M1-Y3 PolarHBondContact O-N 2.81Å; M1-Y3 VanDerWaalsContact O-N 3.1Å; Y3-L5 VanDerWaalsContact C-N 3.33Å; Y3-H6 PolarHBondContact O-N 3.2Å; Y3-L7 HydrophobicContact CD1-CD1 4.04Å; Y3-L7 HydrophobicContact CE1-CD1 3.52Å; Y3-L7 HydrophobicContact CE1-CG 4.31Å; Y3-L7 PolarHBondContact O-N 3.04Å; Y3-L7 VanDerWaalsContact O-N 3.07Å
4Q55.5Low64.6Low150 Ų15087.4 Ų87.470%0.70145%0.445SS*.Hα-helixtrans-70.3-31.6178.2-164.81736.800111.8M1 N2 A8M1-Q4 WeakPolarHBondContact O-CB 3.44Å; M1-Q4 PolarHBondContact O-N 3.24Å; N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 2.73Å; Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 2.87Å
5L59Low65.3Low101 Ų10185.4 Ų85.453%0.52944%0.442SS..Hα-helixtrans-71.3-39.9172.2-175.365.3000111.8M1 N2 Y3 L7 A8 N9M1-L5 PolarHBondContact O-N 3.16Å; N2-L5 WeakPolarHBondContact O-CB 3.31Å; N2-L5 PolarHBondContact O-N 3.2Å; Y3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 3.05Å; L5-A8 PolarHBondContact O-N 2.81Å; L5-N9 WeakPolarHBondContact O-CB 3.12Å; L5-N9 PolarHBondContact O-N 3.5Å; L5-N9 PolarHBondContact O-OD1 3.07Å
6H62.6Low65.8Low61 Ų6180.6 Ų80.628%0.28242%0.417SS..Hα-helixtrans-61.8-43.7175.3-73.8-146.8000111.1N2 Y3 N9 S10 G120 Q121N2-H6 PolarHBondContact O-CD2 3.5Å; N2-H6 PolarHBondContact O-N 3.39Å; Y3-H6 PolarHBondContact O-N 3.2Å; H6-N9 PolarHBondContact O-N 3.31Å; H6-S10 PolarHBondContact O-N 3.2Å; H6-G120 PolarHBondContact CE1-O 3.1Å; H6-G120 PolarHBondContact ND1-O 3.06Å; H6-Q121 VanDerWaalsContact CE1-CG 3.41Å; H6-Q121 WeakPolarHBondContact CE1-CG 3.19Å; H6-Q121 PolarHBondContact NE2-NE2 3.21Å
7L62.1Low66.3Low91 Ų9177.1 Ų77.148%0.47640%0.399SS..Hα-helixtrans-63.6-42.5175-72.4175.5000112.5Y3 L5 S10 A11Y3-L7 HydrophobicContact CD1-CD1 4.04Å; Y3-L7 HydrophobicContact CE1-CD1 3.52Å; Y3-L7 HydrophobicContact CE1-CG 4.31Å; Y3-L7 PolarHBondContact O-N 3.04Å; Y3-L7 VanDerWaalsContact O-N 3.07Å; L5-L7 PolarHBondContact O-N 3.05Å; L7-S10 PolarHBondContact O-N 2.89Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 2.84Å
8A62Low67Low55 Ų5580.6 Ų80.646%0.45541%0.413SS..Hα-helixtrans-61.9-43.5175.900000112.1Q4 L5 A11 A12Q4-A8 WeakPolarHBondContact O-CB 3.42Å; Q4-A8 PolarHBondContact O-N 2.87Å; L5-A8 PolarHBondContact O-N 2.81Å; A8-A11 PolarHBondContact O-N 3.41Å; A8-A12 PolarHBondContact O-N 3.34Å
9N70Confident67.3Low31 Ų3181.2 Ų81.217%0.16641%0.41CS..Hα-helixtrans-64-44.3177.8-73.510.7000111.9L5 H6 A11 A12 I13L5-N9 WeakPolarHBondContact O-CB 3.12Å; L5-N9 PolarHBondContact O-N 3.5Å; L5-N9 PolarHBondContact O-OD1 3.07Å; H6-N9 PolarHBondContact O-N 3.31Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.4Å; N9-A12 PolarHBondContact O-N 2.6Å; N9-I13 WeakPolarHBondContact O-CD1 3.48Å; N9-I13 VanDerWaalsContact O-CG1 3.24Å; N9-I13 WeakPolarHBondContact O-CG1 3.3Å; N9-I13 PolarHBondContact O-N 3.4Å
10S76.9Confident67.5Low15 Ų1577.7 Ų77.711%0.10539%0.391CS..Hα-helixtrans-62.5-37.5175.3177.30000112.7H6 L7 R14 E115H6-S10 PolarHBondContact O-N 3.2Å; L7-S10 PolarHBondContact O-N 2.89Å; S10-R14 PolarHBondContact O-N 3.25Å; S10-R14 VanDerWaalsContact O-N 3.1Å; S10-R14 PolarHBondContact O-NE 3.4Å; S10-R14 PolarHBondContact OG-NE 3.48Å; S10-R14 PolarHBondContact OG-NH2 2.97Å; S10-E115 WeakPolarHBondContact CA-OE1 3.38Å; S10-E115 WeakPolarHBondContact CB-OE1 3.44Å; S10-E115 PolarHBondContact OG-OE1 3Å
11A75.9Confident67.8Low53 Ų5379.4 Ų79.444%0.43840%0.398SS..Hα-helixtrans-66.7-41.717500000112L7 A8 N9 R14 S15L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 2.84Å; A8-A11 PolarHBondContact O-N 3.41Å; N9-A11 VanDerWaalsContact C-N 3.33Å; N9-A11 PolarHBondContact O-N 3.4Å; A11-R14 PolarHBondContact O-N 3.45Å; A11-S15 PolarHBondContact O-N 3.21Å
12A72.9Confident69.3Low25 Ų2573 Ų7321%0.20737%0.373CS..Hα-helixtrans-63.4-45.2175.400000112A8 N9 R14 S15 E16 V69A8-A12 PolarHBondContact O-N 3.34Å; N9-A12 PolarHBondContact O-N 2.6Å; A12-R14 PolarHBondContact O-N 3.28Å; A12-S15 PolarHBondContact O-N 3.42Å; A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 PolarHBondContact O-N 3.47Å; A12-V69 HydrophobicContact CB-CG2 4.21Å
13I77.4Confident70.2Confident0 Ų069.3 Ų69.30%036%0.355CS..Hα-helixtrans-58.4-46.4176.9-69.5161.1000111.1N9 E16 I17 V69 E115 L124N9-I13 WeakPolarHBondContact O-CD1 3.48Å; N9-I13 VanDerWaalsContact O-CG1 3.24Å; N9-I13 WeakPolarHBondContact O-CG1 3.3Å; N9-I13 PolarHBondContact O-N 3.4Å; I13-E16 WeakPolarHBondContact O-CB 3.39Å; I13-E16 PolarHBondContact O-N 3.03Å; I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 WeakPolarHBondContact O-CG1 3.29Å; I13-I17 PolarHBondContact O-N 3.06Å; I13-V69 HydrophobicContact CD1-CG1 4.01Å; I13-V69 HydrophobicContact CG1-CG1 3.49Å; I13-V69 VanDerWaalsContact CG1-CG1 3.49Å; I13-V69 HydrophobicContact CG1-CG2 4.31Å; I13-E115 HydrophobicContact CG2-CB 3.72Å; I13-E115 HydrophobicContact CG2-CG 3.86Å; I13-L124 HydrophobicContact CG1-CB 4.41Å; I13-L124 HydrophobicContact CG2-CD1 4.3Å
14R79.9Confident71.1Confident137 Ų13762 Ų6252%0.51733%0.328SS..Hα-helixtrans-68.2-35.7179.1-75.6177.9-77.5147.8-6.3113S10 A11 A12 E16 I17 Q18 E115S10-R14 PolarHBondContact O-N 3.25Å; S10-R14 VanDerWaalsContact O-N 3.1Å; S10-R14 PolarHBondContact O-NE 3.4Å; S10-R14 PolarHBondContact OG-NE 3.48Å; S10-R14 PolarHBondContact OG-NH2 2.97Å; A11-R14 PolarHBondContact O-N 3.45Å; A12-R14 PolarHBondContact O-N 3.28Å; R14-E16 VanDerWaalsContact C-N 3.3Å; R14-E16 PolarHBondContact O-N 3.11Å; R14-I17 PolarHBondContact O-N 3.23Å; R14-Q18 WeakPolarHBondContact O-CB 3.37Å; R14-Q18 PolarHBondContact O-N 2.93Å; R14-E115 VanDerWaalsContact CD-OE2 3.27Å; R14-E115 WeakPolarHBondContact CD-OE2 3.46Å; R14-E115 VanDerWaalsContact CG-OE2 3.23Å; R14-E115 WeakPolarHBondContact CG-OE2 3.47Å; R14-E115 IonicContact NE-OE2 2.77Å; R14-E115 PolarHBondContact NE-OE2 3.28Å
15S75.4Confident72Confident58 Ų5858.5 Ų58.541%0.40632%0.318SS..Hα-helixtrans-65.6-33.2172.2-171.60000112.7A11 A12 R19A11-S15 PolarHBondContact O-N 3.21Å; A12-S15 PolarHBondContact O-N 3.42Å; S15-R19 VanDerWaalsContact O-CB 3.27Å; S15-R19 WeakPolarHBondContact O-CB 3.44Å; S15-R19 PolarHBondContact O-N 3.49Å; S15-R19 VanDerWaalsContact O-N 3.11Å
16E73.3Confident72.8Confident9 Ų958.4 Ų58.44%0.04232%0.318CS..Hα-helixtrans-71.4-42.5176.5176.558.6-151.800111.9A12 I13 R14 R19 F20 T64 L65 K113 L124A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 PolarHBondContact O-N 3.47Å; I13-E16 WeakPolarHBondContact O-CB 3.39Å; I13-E16 PolarHBondContact O-N 3.03Å; R14-E16 VanDerWaalsContact C-N 3.3Å; R14-E16 PolarHBondContact O-N 3.11Å; E16-R19 PolarHBondContact O-N 2.93Å; E16-F20 WeakPolarHBondContact O-CB 2.99Å; E16-F20 PolarHBondContact O-N 2.98Å; E16-T64 HydrophobicContact CG-CG2 4.28Å; E16-T64 WeakPolarHBondContact OE2-CA 3.28Å; E16-L65 PolarHBondContact OE2-N 2.82Å; E16-L65 VanDerWaalsContact OE2-N 3.07Å; E16-K113 IonicContact OE1-NZ 3.01Å; E16-K113 PolarHBondContact OE1-NZ 3Å; E16-L124 HydrophobicContact CG-CD2 4.13Å
17I75.1Confident73.5Confident20 Ų2056.1 Ų56.110%0.10331%0.307CS..Hα-helixtrans-63.4-50.4175.4-66.5161.2000110.3I13 R14 R19 F20 E21 K113 E115 L124I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 WeakPolarHBondContact O-CG1 3.29Å; I13-I17 PolarHBondContact O-N 3.06Å; R14-I17 PolarHBondContact O-N 3.23Å; I17-R19 VanDerWaalsContact C-N 3.25Å; I17-R19 PolarHBondContact O-N 2.93Å; I17-F20 WeakPolarHBondContact O-CB 3.16Å; I17-F20 PolarHBondContact O-N 3.19Å; I17-E21 HydrophobicContact CG2-CG 4.3Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.25Å; I17-E21 WeakPolarHBondContact O-CG 3.38Å; I17-E21 PolarHBondContact O-N 2.87Å; I17-K113 HydrophobicContact CG1-CB 4.12Å; I17-E115 HydrophobicContact CD1-CB 4.07Å; I17-E115 VanDerWaalsContact CD1-N 3.32Å; I17-L124 HydrophobicContact CD1-CD1 4.42Å; I17-L124 HydrophobicContact CG1-CD1 4.13Å
18Q77.8Confident74Confident141 Ų14156.7 Ų56.766%0.65930%0.304SS*.Hα-helixtrans-59.3-36.9177.9-172.6-179.313.200112.2R14 S22R14-Q18 WeakPolarHBondContact O-CB 3.37Å; R14-Q18 PolarHBondContact O-N 2.93Å; Q18-S22 WeakPolarHBondContact O-CB 3.34Å; Q18-S22 PolarHBondContact O-N 3.39Å
19R72.1Confident74.8Confident92 Ų9257 Ų5735%0.34730%0.303SS..Hα-helixtrans-65.6-43.6175.2-174.3-176.4-173-1572.2111.5S15 E16 I17 S22 W63S15-R19 VanDerWaalsContact O-CB 3.27Å; S15-R19 WeakPolarHBondContact O-CB 3.44Å; S15-R19 PolarHBondContact O-N 3.49Å; S15-R19 VanDerWaalsContact O-N 3.11Å; E16-R19 PolarHBondContact O-N 2.93Å; I17-R19 VanDerWaalsContact C-N 3.25Å; I17-R19 PolarHBondContact O-N 2.93Å; R19-S22 PolarHBondContact O-N 3.45Å; R19-S22 PolarHBondContact O-OG 3.27Å; R19-W63 PolarHBondContact NH1-O 2.89Å; R19-W63 VanDerWaalsContact NH2-CZ3 3.33Å
20F72.8Confident75.4Confident10 Ų1059.1 Ų59.14%0.04431%0.313CS..Hα-helixtrans-61.1-53.5176.5-177.6-105.7000111.6E16 I17 S22 V23 H24 F57 V58 K113E16-F20 WeakPolarHBondContact O-CB 2.99Å; E16-F20 PolarHBondContact O-N 2.98Å; I17-F20 WeakPolarHBondContact O-CB 3.16Å; I17-F20 PolarHBondContact O-N 3.19Å; F20-S22 VanDerWaalsContact C-N 3.26Å; F20-S22 PolarHBondContact O-N 3.33Å; F20-V23 PolarHBondContact O-N 3.34Å; F20-V23 VanDerWaalsContact O-N 3.16Å; F20-H24 AromaticContact CD1-NE2 3.93Å; F20-H24 AromaticContact CE1-NE2 3.33Å; F20-H24 VanDerWaalsContact CE1-NE2 3.33Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.4Å; F20-H24 AromaticContact CE2-NE2 3.91Å; F20-H24 AromaticContact CZ-NE2 3.32Å; F20-H24 VanDerWaalsContact CZ-NE2 3.32Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.47Å; F20-H24 PolarHBondContact O-CD2 2.98Å; F20-F57 HydrophobicContact CD2-CD1 4.19Å; F20-F57 AromaticContact CD2-CE1 3.56Å; F20-F57 HydrophobicContact CD2-CE1 3.56Å; F20-F57 HydrophobicContact CD2-CZ 4.26Å; F20-F57 HydrophobicContact CE2-CD1 4.25Å; F20-F57 HydrophobicContact CE2-CE1 4.04Å; F20-F57 HydrophobicContact CG-CE1 4.43Å; F20-V58 HydrophobicContact CE2-CB 4.44Å; F20-V58 HydrophobicContact CE2-CG1 4.39Å; F20-V58 HydrophobicContact CE2-CG2 3.84Å; F20-V58 HydrophobicContact CZ-CG2 4.16Å; F20-K113 HydrophobicContact CB-CD 3.85Å; F20-K113 HydrophobicContact CD1-CB 4.12Å; F20-K113 HydrophobicContact CD1-CD 4.01Å; F20-K113 HydrophobicContact CD1-CG 3.86Å; F20-K113 HydrophobicContact CD2-CD 3.82Å; F20-K113 VanDerWaalsContact CD2-CE 3.42Å; F20-K113 HydrophobicContact CD2-CG 4.31Å; F20-K113 HydrophobicContact CE1-CB 4.47Å; F20-K113 HydrophobicContact CE1-CG 4.03Å; F20-K113 HydrophobicContact CE2-CD 4.35Å; F20-K113 HydrophobicContact CE2-CG 4.45Å; F20-K113 HydrophobicContact CG-CD 3.62Å; F20-K113 HydrophobicContact CG-CG 4.01Å; F20-K113 HydrophobicContact CZ-CG 4.32Å
21E73.1Confident75.6Confident115 Ų11559.9 Ų59.954%0.53731%0.314SS..Hα-helixtrans-57.3-36.1177.5-68.6170.2165.900112.5I17 V23 H24 P25I17-E21 HydrophobicContact CG2-CG 4.3Å; I17-E21 WeakPolarHBondContact CG2-OE1 3.25Å; I17-E21 WeakPolarHBondContact O-CG 3.38Å; I17-E21 PolarHBondContact O-N 2.87Å; E21-V23 PolarHBondContact O-N 2.84Å; E21-H24 PolarHBondContact O-N 3.47Å; E21-P25 WeakPolarHBondContact O-CD 3.45Å
22S75.2Confident75.8Confident68 Ų6862.3 Ų62.348%0.47632%0.316SS..THydrogen-bonded Turntrans-65.3-18.3-179.574.80000115.2Q18 R19 F20 N26Q18-S22 WeakPolarHBondContact O-CB 3.34Å; Q18-S22 PolarHBondContact O-N 3.39Å; R19-S22 PolarHBondContact O-N 3.45Å; R19-S22 PolarHBondContact O-OG 3.27Å; F20-S22 VanDerWaalsContact C-N 3.26Å; F20-S22 PolarHBondContact O-N 3.33Å; S22-N26 PolarHBondContact O-ND2 3.15Å; S22-N26 VanDerWaalsContact O-ND2 3.13Å
23V71.2Confident76.2Confident43 Ų4366.2 Ų66.226%0.26133%0.333SS..THydrogen-bonded Turntrans-88.7-36.2-178.6177.90000111.8F20 E21 N26 I27 F57F20-V23 PolarHBondContact O-N 3.34Å; F20-V23 VanDerWaalsContact O-N 3.16Å; E21-V23 PolarHBondContact O-N 2.84Å; V23-N26 WeakPolarHBondContact O-CB 3.45Å; V23-N26 PolarHBondContact O-N 3.01Å; V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 HydrophobicContact CG1-CG1 4.06Å; V23-I27 PolarHBondContact O-N 3.34Å; V23-F57 HydrophobicContact CB-CE1 3.82Å; V23-F57 HydrophobicContact CB-CZ 3.84Å; V23-F57 HydrophobicContact CG1-CD1 4.39Å; V23-F57 HydrophobicContact CG1-CE1 4.07Å; V23-F57 HydrophobicContact CG1-CZ 4.26Å; V23-F57 HydrophobicContact CG2-CE1 4.05Å; V23-F57 HydrophobicContact CG2-CE2 4.06Å; V23-F57 HydrophobicContact CG2-CZ 3.51Å
24H72.4Confident76.6Confident28 Ų2866.4 Ų66.413%0.1333%0.334CS..Hα-helixtrans-51.3-46.1-176.4-80.4-80.7000114.9F20 E21 N26 I27 Y28 E54F20-H24 AromaticContact CD1-NE2 3.93Å; F20-H24 AromaticContact CE1-NE2 3.33Å; F20-H24 VanDerWaalsContact CE1-NE2 3.33Å; F20-H24 WeakPolarHBondContact CE1-NE2 3.4Å; F20-H24 AromaticContact CE2-NE2 3.91Å; F20-H24 AromaticContact CZ-NE2 3.32Å; F20-H24 VanDerWaalsContact CZ-NE2 3.32Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.47Å; F20-H24 PolarHBondContact O-CD2 2.98Å; E21-H24 PolarHBondContact O-N 3.47Å; H24-N26 PolarHBondContact O-N 2.98Å; H24-N26 VanDerWaalsContact O-N 3.12Å; H24-I27 PolarHBondContact O-N 3.48Å; H24-Y28 HydrophobicContact CB-CD2 4.29Å; H24-Y28 HydrophobicContact CB-CE2 3.81Å; H24-Y28 WeakPolarHBondContact O-CD2 3.33Å; H24-Y28 PolarHBondContact O-N 3.1Å; H24-E54 IonicContact CE1-OE1 2.85Å; H24-E54 IonicContact ND1-OE1 3.15Å
25P73.9Confident76.7Confident76 Ų7666.7 Ų66.749%0.49434%0.341SS..Hα-helixtrans-57.2-30.1176.8-27.235.6000114.3E21 S29E21-P25 WeakPolarHBondContact O-CD 3.45Å; P25-S29 WeakPolarHBondContact O-CB 3.05Å; P25-S29 PolarHBondContact O-N 3.01Å; P25-S29 VanDerWaalsContact O-N 3.08Å; P25-S29 PolarHBondContact O-OG 3.09Å
26N77Confident77.2Confident99 Ų9971.6 Ų71.653%0.52935%0.351SS..Hα-helixtrans-78.5-35.7177.2-58.2-83.3000111.4S22 V23 H24 S29 I30S22-N26 PolarHBondContact O-ND2 3.15Å; S22-N26 VanDerWaalsContact O-ND2 3.13Å; V23-N26 WeakPolarHBondContact O-CB 3.45Å; V23-N26 PolarHBondContact O-N 3.01Å; H24-N26 PolarHBondContact O-N 2.98Å; H24-N26 VanDerWaalsContact O-N 3.12Å; N26-S29 WeakPolarHBondContact O-CB 3.34Å; N26-S29 PolarHBondContact O-N 3.47Å; N26-I30 WeakPolarHBondContact O-CG1 3.46Å; N26-I30 PolarHBondContact O-N 2.9Å; N26-I30 VanDerWaalsContact O-N 3.16Å
27I77.1Confident77.9Confident13 Ų1373.1 Ų73.17%0.06736%0.361CS..Hα-helixtrans-65.9-47.4173.5-66.2176.7000110.3V23 H24 S29 I30 Y31 V50 E54V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 HydrophobicContact CG1-CG1 4.06Å; V23-I27 PolarHBondContact O-N 3.34Å; H24-I27 PolarHBondContact O-N 3.48Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 3.07Å; I27-I30 WeakPolarHBondContact O-CA 3.32Å; I27-I30 WeakPolarHBondContact O-CB 3.46Å; I27-I30 PolarHBondContact O-N 3.46Å; I27-Y31 HydrophobicContact CG2-CD2 3.95Å; I27-Y31 HydrophobicContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.46Å; I27-Y31 WeakPolarHBondContact O-CD2 3.31Å; I27-Y31 PolarHBondContact O-N 3.32Å; I27-V50 HydrophobicContact CG2-CG1 4.19Å; I27-E54 HydrophobicContact CD1-CB 4.38Å; I27-E54 HydrophobicContact CD1-CG 4.32Å
28Y72.7Confident78.5Confident103 Ų10381.6 Ų81.640%0.40440%0.4SS..Hα-helixtrans-60.2-39.1174.5-62.6-52.6000112.3H24 I30 Y31 E32H24-Y28 HydrophobicContact CB-CD2 4.29Å; H24-Y28 HydrophobicContact CB-CE2 3.81Å; H24-Y28 WeakPolarHBondContact O-CD2 3.33Å; H24-Y28 PolarHBondContact O-N 3.1Å; Y28-I30 PolarHBondContact O-N 3.24Å; Y28-Y31 HydrophobicContact CD1-CD2 4.41Å; Y28-Y31 PolarHBondContact O-N 2.9Å; Y28-E32 PolarHBondContact O-N 2.82Å
29S78.7Confident79.2Confident61 Ų6180.3 Ų80.343%0.42739%0.394SS..Hα-helixtrans-60.2-30.1172.8-610000112.8P25 N26 I27 L33P25-S29 WeakPolarHBondContact O-CB 3.05Å; P25-S29 PolarHBondContact O-N 3.01Å; P25-S29 VanDerWaalsContact O-N 3.08Å; P25-S29 PolarHBondContact O-OG 3.09Å; N26-S29 WeakPolarHBondContact O-CB 3.34Å; N26-S29 PolarHBondContact O-N 3.47Å; I27-S29 VanDerWaalsContact C-N 3.3Å; I27-S29 PolarHBondContact O-N 3.07Å; S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 VanDerWaalsContact O-CG 3.22Å; S29-L33 WeakPolarHBondContact O-CG 3.27Å; S29-L33 PolarHBondContact O-N 2.94Å
30I81.8Confident79.8Confident75 Ų7580 Ų8039%0.38540%0.404SS..Hα-helixtrans-75.6-41.9174.8-65.3161.8000110.8N26 I27 Y28 E32 L33 L34 V50N26-I30 WeakPolarHBondContact O-CG1 3.46Å; N26-I30 PolarHBondContact O-N 2.9Å; N26-I30 VanDerWaalsContact O-N 3.16Å; I27-I30 WeakPolarHBondContact O-CA 3.32Å; I27-I30 WeakPolarHBondContact O-CB 3.46Å; I27-I30 PolarHBondContact O-N 3.46Å; Y28-I30 PolarHBondContact O-N 3.24Å; I30-E32 VanDerWaalsContact C-N 3.35Å; I30-E32 PolarHBondContact O-N 3.03Å; I30-L33 CarbonylContact O-C 3.52Å; I30-L33 PolarHBondContact O-N 3.43Å; I30-L33 VanDerWaalsContact O-N 3.08Å; I30-L34 HydrophobicContact CG2-CD1 4.28Å; I30-L34 WeakPolarHBondContact O-CG 3.39Å; I30-L34 PolarHBondContact O-N 2.96Å; I30-V50 HydrophobicContact CG2-CG1 4.45Å; I30-V50 HydrophobicContact CG2-CG2 3.61Å
31Y81.1Confident80.6Confident31 Ų3184.9 Ų84.912%0.12243%0.43CS..Hα-helixtrans-61.2-42.3174-68.8-57.7000111.9I27 Y28 L33 L34 E35 R47 V50 E54I27-Y31 HydrophobicContact CG2-CD2 3.95Å; I27-Y31 HydrophobicContact CG2-CE2 3.46Å; I27-Y31 VanDerWaalsContact CG2-CE2 3.46Å; I27-Y31 WeakPolarHBondContact O-CD2 3.31Å; I27-Y31 PolarHBondContact O-N 3.32Å; Y28-Y31 HydrophobicContact CD1-CD2 4.41Å; Y28-Y31 PolarHBondContact O-N 2.9Å; Y31-L33 VanDerWaalsContact C-N 3.25Å; Y31-L33 PolarHBondContact O-N 3.42Å; Y31-L34 HydrophobicContact CD1-CD1 4.06Å; Y31-L34 WeakPolarHBondContact O-CB 3.37Å; Y31-L34 PolarHBondContact O-N 3.32Å; Y31-E35 PolarHBondContact O-N 3.37Å; Y31-E35 VanDerWaalsContact O-N 3.13Å; Y31-R47 HydrophobicContact CE1-CG 4.37Å; Y31-V50 HydrophobicContact CD1-CG1 4.37Å; Y31-V50 HydrophobicContact CE1-CB 4.19Å; Y31-V50 HydrophobicContact CE1-CG1 3.7Å; Y31-V50 HydrophobicContact CE2-CG1 4.16Å; Y31-E54 PolarHBondContact OH-OE2 2.8Å
32E79.8Confident81.2Confident105 Ų10582.7 Ų82.749%0.49142%0.421SS..Hα-helixtrans-57.6-34.4170.9-106.4-153.4-124.400113.4Y28 I30 R36Y28-E32 PolarHBondContact O-N 2.82Å; I30-E32 VanDerWaalsContact C-N 3.35Å; I30-E32 PolarHBondContact O-N 3.03Å; E32-R36 VanDerWaalsContact C-NH1 3.27Å; E32-R36 PolarHBondContact O-NH1 2.91Å; E32-R36 IonicContact OE2-CZ 3.52Å; E32-R36 IonicContact OE2-NH1 3.23Å; E32-R36 PolarHBondContact OE2-NH1 3.39Å; E32-R36 IonicContact OE2-NH2 3.33Å; E32-R36 PolarHBondContact OE2-NH2 2.99Å
33L83.3Confident81.7Confident106 Ų10681.4 Ų81.456%0.55541%0.408SS*.Hα-helixtrans-79.2-27.5176.3-72.3168.3000111.9S29 I30 Y31 R36S29-L33 WeakPolarHBondContact O-CD1 3.43Å; S29-L33 VanDerWaalsContact O-CG 3.22Å; S29-L33 WeakPolarHBondContact O-CG 3.27Å; S29-L33 PolarHBondContact O-N 2.94Å; I30-L33 CarbonylContact O-C 3.52Å; I30-L33 PolarHBondContact O-N 3.43Å; I30-L33 VanDerWaalsContact O-N 3.08Å; Y31-L33 VanDerWaalsContact C-N 3.25Å; Y31-L33 PolarHBondContact O-N 3.42Å; L33-R36 WeakPolarHBondContact O-CB 3.42Å; L33-R36 PolarHBondContact O-N 3.44Å
34L83.9Confident82.2Confident5 Ų583.4 Ų83.43%0.02642%0.417CS..Hα-helixtrans-68.5-36.5174.3-75.6169000112.6I30 Y31 R36 V37 Q43 I46 R47 V50I30-L34 HydrophobicContact CG2-CD1 4.28Å; I30-L34 WeakPolarHBondContact O-CG 3.39Å; I30-L34 PolarHBondContact O-N 2.96Å; Y31-L34 HydrophobicContact CD1-CD1 4.06Å; Y31-L34 WeakPolarHBondContact O-CB 3.37Å; Y31-L34 PolarHBondContact O-N 3.32Å; L34-R36 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact O-N 3.11Å; L34-V37 HydrophobicContact CD2-CG2 4.42Å; L34-V37 WeakPolarHBondContact O-CB 3.48Å; L34-V37 PolarHBondContact O-N 2.7Å; L34-Q43 PolarHBondContact O-NE2 2.7Å; L34-I46 HydrophobicContact CD1-CG2 4.38Å; L34-I46 HydrophobicContact CD2-CB 3.57Å; L34-I46 HydrophobicContact CD2-CD1 4.2Å; L34-I46 HydrophobicContact CD2-CG2 3.6Å; L34-I46 HydrophobicContact CG-CG2 4.47Å; L34-R47 HydrophobicContact CD1-CB 4.38Å; L34-V50 HydrophobicContact CD1-CG2 4.23Å
35E82.6Confident82.9Confident143 Ų14386.6 Ų86.667%0.66843%0.432SS*.THydrogen-bonded Turntrans-60.7-18.4172.6-68.9-178.3174.400113.4Y31Y31-E35 PolarHBondContact O-N 3.37Å; Y31-E35 VanDerWaalsContact O-N 3.13Å
36R85.5Confident83.4Confident160 Ų16085.9 Ų85.960%0.60442%0.423SS*.THydrogen-bonded Turntrans-92.84.7177.4-59171.5176.6109.6-5.8113E32 L33 L34E32-R36 VanDerWaalsContact C-NH1 3.27Å; E32-R36 PolarHBondContact O-NH1 2.91Å; E32-R36 IonicContact OE2-CZ 3.52Å; E32-R36 IonicContact OE2-NH1 3.23Å; E32-R36 PolarHBondContact OE2-NH1 3.39Å; E32-R36 IonicContact OE2-NH2 3.33Å; E32-R36 PolarHBondContact OE2-NH2 2.99Å; L33-R36 WeakPolarHBondContact O-CB 3.42Å; L33-R36 PolarHBondContact O-N 3.44Å; L34-R36 PolarHBondContact O-N 3.06Å; L34-R36 VanDerWaalsContact O-N 3.11Å
37V88.4Confident83.6Confident41 Ų4184 Ų8425%0.24841%0.409CS..  trans-89.5113.7174.8179.10000109.8L34 E39 L42 Q43L34-V37 HydrophobicContact CD2-CG2 4.42Å; L34-V37 WeakPolarHBondContact O-CB 3.48Å; L34-V37 PolarHBondContact O-N 2.7Å; V37-E39 VanDerWaalsContact C-N 3.29Å; V37-E39 PolarHBondContact O-N 3.2Å; V37-L42 HydrophobicContact CG1-CD2 4.34Å; V37-L42 HydrophobicContact CG1-CG 4.46Å; V37-Q43 HydrophobicContact CB-CB 4.23Å; V37-Q43 HydrophobicContact CG1-CB 4.15Å; V37-Q43 PolarHBondContact O-NE2 2.78Å
38E87.5Confident83.7Confident198 Ų19889.8 Ų89.893%0.92544%0.436SS*.SBendtrans-70.6-19.4-177.4-61.3-178.6171.900114P40E38-P40 WeakPolarHBondContact O-CD 3.34Å
39E93.5Very high84.2Confident115 Ų11590.8 Ų90.854%0.53744%0.444SS..  trans-94.6108.2179.4-177.3174.4-164.400111.2V37 L41 L42 Q43V37-E39 VanDerWaalsContact C-N 3.29Å; V37-E39 PolarHBondContact O-N 3.2Å; E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.36Å; E39-L42 HydrophobicContact CB-CB 4.13Å; E39-L42 HydrophobicContact CG-CB 3.98Å; E39-L42 PolarHBondContact O-N 3.31Å; E39-Q43 WeakPolarHBondContact O-CB 3.48Å; E39-Q43 PolarHBondContact O-N 2.97Å
40P84.1Confident84.3Confident85 Ų8588.5 Ų88.555%0.55243%0.427SS*.Hα-helixtrans-68.3-27-17226.7-35.4000113.4E38 N44E38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-N44 WeakPolarHBondContact O-CB 3.4Å; P40-N44 VanDerWaalsContact O-CG 3.23Å; P40-N44 PolarHBondContact O-N 3.12Å
41L88.9Confident83.9Confident112 Ų11286.9 Ų86.959%0.58642%0.419SS*.Hα-helixtrans-73.3-40.8-179.5-152.8157.6000110.7E39 Q45E39-L41 VanDerWaalsContact C-N 3.29Å; E39-L41 PolarHBondContact O-N 3.36Å; L41-Q45 WeakPolarHBondContact O-CG 3.41Å; L41-Q45 PolarHBondContact O-N 3.05Å; L41-Q45 VanDerWaalsContact O-N 3.14Å
42L86.9Confident83.6Confident69 Ų6988.1 Ų88.136%0.36144%0.436SS..Hα-helixtrans-69-42.1171.5-179.262000111.7V37 E39 N44 Q45 I46V37-L42 HydrophobicContact CG1-CD2 4.34Å; V37-L42 HydrophobicContact CG1-CG 4.46Å; E39-L42 HydrophobicContact CB-CB 4.13Å; E39-L42 HydrophobicContact CG-CB 3.98Å; E39-L42 PolarHBondContact O-N 3.31Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.78Å; L42-Q45 PolarHBondContact O-N 3.03Å; L42-I46 HydrophobicContact CD1-CD1 3.84Å; L42-I46 HydrophobicContact CD1-CG1 4.14Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.5Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.26Å
43Q85.4Confident83.3Confident41 Ų4188.6 Ų88.619%0.19244%0.44CS..Hα-helixtrans-55.4-45.6174.9-177.2-177.269.600111.4L34 V37 E39 R47L34-Q43 PolarHBondContact O-NE2 2.7Å; V37-Q43 HydrophobicContact CB-CB 4.23Å; V37-Q43 HydrophobicContact CG1-CB 4.15Å; V37-Q43 PolarHBondContact O-NE2 2.78Å; E39-Q43 WeakPolarHBondContact O-CB 3.48Å; E39-Q43 PolarHBondContact O-N 2.97Å; Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 PolarHBondContact O-N 2.9Å
44N81.7Confident82.8Confident86 Ų8684.9 Ų84.946%0.4642%0.42SS..Hα-helixtrans-67.7-44177.8-73.1-8.2000112.6P40 L42 I46 R47 E48P40-N44 WeakPolarHBondContact O-CB 3.4Å; P40-N44 VanDerWaalsContact O-CG 3.23Å; P40-N44 PolarHBondContact O-N 3.12Å; L42-N44 VanDerWaalsContact C-N 3.31Å; L42-N44 PolarHBondContact O-N 2.78Å; N44-I46 VanDerWaalsContact C-N 3.34Å; N44-I46 PolarHBondContact O-N 3.35Å; N44-R47 WeakPolarHBondContact O-CB 3.39Å; N44-R47 PolarHBondContact O-N 3.45Å; N44-R47 VanDerWaalsContact O-N 3.17Å; N44-E48 PolarHBondContact O-N 2.97Å
45Q86.7Confident81.8Confident95 Ų9587.3 Ų87.344%0.44443%0.433SS..Hα-helixtrans-60.3-41.7176.8-75.2176.7-100112.6L41 L42 H49L41-Q45 WeakPolarHBondContact O-CG 3.41Å; L41-Q45 PolarHBondContact O-N 3.05Å; L41-Q45 VanDerWaalsContact O-N 3.14Å; L42-Q45 PolarHBondContact O-N 3.03Å; Q45-H49 PolarHBondContact O-CD2 3.27Å; Q45-H49 PolarHBondContact O-N 2.74Å; Q45-H49 VanDerWaalsContact O-N 3.08Å
46I83.7Confident81Confident60 Ų6083.2 Ų83.231%0.30842%0.424SS..Hα-helixtrans-72.9-35176.8-53.9162.8000110.5L34 L42 N44 H49 V50L34-I46 HydrophobicContact CD1-CG2 4.38Å; L34-I46 HydrophobicContact CD2-CB 3.57Å; L34-I46 HydrophobicContact CD2-CD1 4.2Å; L34-I46 HydrophobicContact CD2-CG2 3.6Å; L34-I46 HydrophobicContact CG-CG2 4.47Å; L42-I46 HydrophobicContact CD1-CD1 3.84Å; L42-I46 HydrophobicContact CD1-CG1 4.14Å; L42-I46 HydrophobicContact CG-CD1 3.84Å; L42-I46 HydrophobicContact CG-CG1 4.5Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.26Å; N44-I46 VanDerWaalsContact C-N 3.34Å; N44-I46 PolarHBondContact O-N 3.35Å; I46-H49 PolarHBondContact O-N 3.14Å; I46-V50 HydrophobicContact CG2-CG2 4.25Å; I46-V50 VanDerWaalsContact O-CG2 3.3Å; I46-V50 WeakPolarHBondContact O-CG2 2.97Å; I46-V50 PolarHBondContact O-N 2.75Å
47R82.1Confident80.1Confident61 Ų6177.1 Ų77.123%0.2340%0.402CS..Hα-helixtrans-58.7-47.9172.1-176.1-178-68.5-891.6111.4Y31 L34 Q43 N44 H49 V50 I51Y31-R47 HydrophobicContact CE1-CG 4.37Å; L34-R47 HydrophobicContact CD1-CB 4.38Å; Q43-R47 VanDerWaalsContact O-CB 3.3Å; Q43-R47 WeakPolarHBondContact O-CB 3.32Å; Q43-R47 PolarHBondContact O-N 2.9Å; N44-R47 WeakPolarHBondContact O-CB 3.39Å; N44-R47 PolarHBondContact O-N 3.45Å; N44-R47 VanDerWaalsContact O-N 3.17Å; R47-H49 VanDerWaalsContact C-N 3.31Å; R47-H49 PolarHBondContact O-N 3.06Å; R47-V50 PolarHBondContact O-N 3.18Å; R47-I51 HydrophobicContact CG-CD1 3.95Å; R47-I51 WeakPolarHBondContact O-CG1 3.42Å; R47-I51 PolarHBondContact O-N 2.81Å
48E80.2Confident78.9Confident134 Ų13476.7 Ų76.763%0.62640%0.399SS*.Hα-helixtrans-57.4-42.4173.7-73.8180170.300112N44 A52N44-E48 PolarHBondContact O-N 2.97Å; E48-A52 WeakPolarHBondContact O-CB 3.26Å; E48-A52 PolarHBondContact O-N 2.86Å
49H81.4Confident77.3Confident123 Ų12370.5 Ų70.557%0.56937%0.372SS*.Hα-helixtrans-67.7-36.4176.2-70.9-29.2000113.6Q45 I46 R47 A52 I53Q45-H49 PolarHBondContact O-CD2 3.27Å; Q45-H49 PolarHBondContact O-N 2.74Å; Q45-H49 VanDerWaalsContact O-N 3.08Å; I46-H49 PolarHBondContact O-N 3.14Å; R47-H49 VanDerWaalsContact C-N 3.31Å; R47-H49 PolarHBondContact O-N 3.06Å; H49-A52 PolarHBondContact O-N 3.38Å; H49-I53 WeakPolarHBondContact O-CD1 3.47Å; H49-I53 VanDerWaalsContact O-CG1 3.22Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 3.02Å
50V82.3Confident75.6Confident13 Ų1366.7 Ų66.78%0.07936%0.358CS..Hα-helixtrans-69.2-44175.51750000110.5I27 I30 Y31 L34 I46 R47 A52 I53 E54I27-V50 HydrophobicContact CG2-CG1 4.19Å; I30-V50 HydrophobicContact CG2-CG1 4.45Å; I30-V50 HydrophobicContact CG2-CG2 3.61Å; Y31-V50 HydrophobicContact CD1-CG1 4.37Å; Y31-V50 HydrophobicContact CE1-CB 4.19Å; Y31-V50 HydrophobicContact CE1-CG1 3.7Å; Y31-V50 HydrophobicContact CE2-CG1 4.16Å; L34-V50 HydrophobicContact CD1-CG2 4.23Å; I46-V50 HydrophobicContact CG2-CG2 4.25Å; I46-V50 VanDerWaalsContact O-CG2 3.3Å; I46-V50 WeakPolarHBondContact O-CG2 2.97Å; I46-V50 PolarHBondContact O-N 2.75Å; R47-V50 PolarHBondContact O-N 3.18Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 3.22Å; V50-I53 PolarHBondContact O-N 3.28Å; V50-I53 VanDerWaalsContact O-N 3.16Å; V50-E54 WeakPolarHBondContact O-CB 3.45Å; V50-E54 PolarHBondContact O-N 2.96Å
51I73.6Confident73.9Confident42 Ų4268.3 Ų68.322%0.21536%0.359CS..Hα-helixtrans-57.2-46.3172.4-68.4167.6000109.9R47 I53 E54 D55 D107R47-I51 HydrophobicContact CG-CD1 3.95Å; R47-I51 WeakPolarHBondContact O-CG1 3.42Å; R47-I51 PolarHBondContact O-N 2.81Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 2.85Å; I51-E54 PolarHBondContact O-N 2.79Å; I51-D55 WeakPolarHBondContact O-CB 3.49Å; I51-D55 PolarHBondContact O-N 3.11Å; I51-D107 HydrophobicContact CD1-CB 4.18Å
52A73.3Confident71.9Confident57 Ų5771.2 Ų71.247%0.47137%0.369SS..Hα-helixtrans-64.1-33.217800000113.7E48 H49 V50 A56E48-A52 WeakPolarHBondContact O-CB 3.26Å; E48-A52 PolarHBondContact O-N 2.86Å; H49-A52 PolarHBondContact O-N 3.38Å; V50-A52 VanDerWaalsContact C-N 3.32Å; V50-A52 PolarHBondContact O-N 3.22Å; A52-A56 VanDerWaalsContact O-CB 3.28Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 2.72Å
53I74.6Confident70.1Confident115 Ų11573.9 Ų73.959%0.5938%0.375SS*.Hα-helixtrans-70.6-41.2173.8-72.4163.4000110.8H49 V50 I51 A56 F57H49-I53 WeakPolarHBondContact O-CD1 3.47Å; H49-I53 VanDerWaalsContact O-CG1 3.22Å; H49-I53 WeakPolarHBondContact O-CG1 3.4Å; H49-I53 PolarHBondContact O-N 3.02Å; V50-I53 PolarHBondContact O-N 3.28Å; V50-I53 VanDerWaalsContact O-N 3.16Å; I51-I53 VanDerWaalsContact C-N 3.33Å; I51-I53 PolarHBondContact O-N 2.85Å; I53-A56 PolarHBondContact O-N 2.59Å; I53-F57 WeakPolarHBondContact O-CB 3.4Å; I53-F57 PolarHBondContact O-N 2.88Å
54E71.8Confident68.6Low28 Ų2873.3 Ų73.313%0.13137%0.374CS..Hα-helixtrans-65-46175-176.2162.2-155.100111.1H24 I27 Y31 V50 I51 A56 F57 V58H24-E54 IonicContact CE1-OE1 2.85Å; H24-E54 IonicContact ND1-OE1 3.15Å; I27-E54 HydrophobicContact CD1-CB 4.38Å; I27-E54 HydrophobicContact CD1-CG 4.32Å; Y31-E54 PolarHBondContact OH-OE2 2.8Å; V50-E54 WeakPolarHBondContact O-CB 3.45Å; V50-E54 PolarHBondContact O-N 2.96Å; I51-E54 PolarHBondContact O-N 2.79Å; E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 PolarHBondContact O-N 3.43Å; E54-F57 PolarHBondContact O-N 2.92Å; E54-V58 HydrophobicContact CG-CG2 4.34Å; E54-V58 WeakPolarHBondContact O-CB 3.34Å; E54-V58 WeakPolarHBondContact O-CG2 3.34Å; E54-V58 PolarHBondContact O-N 3.47Å
55D64.1Low67Low55 Ų5572.9 Ų72.929%0.29437%0.371SS..Hα-helixtrans-57.7-43.6173.4-118.7-45.5000111.7I51 N59 R111I51-D55 WeakPolarHBondContact O-CB 3.49Å; I51-D55 PolarHBondContact O-N 3.11Å; D55-N59 WeakPolarHBondContact O-CB 3.27Å; D55-N59 VanDerWaalsContact O-CG 3.32Å; D55-N59 PolarHBondContact O-N 2.97Å; D55-N59 PolarHBondContact O-ND2 3.23Å; D55-N59 PolarHBondContact OD1-ND2 3.45Å; D55-R111 IonicContact OD1-CZ 2.68Å; D55-R111 IonicContact OD1-NH1 2.81Å; D55-R111 PolarHBondContact OD1-NH1 3.32Å; D55-R111 IonicContact OD1-NH2 2.77Å; D55-R111 PolarHBondContact OD1-NH2 2.88Å; D55-R111 IonicContact OD2-NH2 3.78Å; D55-R111 PolarHBondContact OD2-NH2 3.48Å
56A65.9Low65.3Low58 Ų5871.4 Ų71.448%0.47937%0.371SS..Hα-helixtrans-65.8-42175.700000112.2A52 I53 E54 S60A52-A56 VanDerWaalsContact O-CB 3.28Å; A52-A56 WeakPolarHBondContact O-CB 3.41Å; A52-A56 PolarHBondContact O-N 2.72Å; I53-A56 PolarHBondContact O-N 2.59Å; E54-A56 VanDerWaalsContact C-N 3.32Å; E54-A56 PolarHBondContact O-N 3.43Å; A56-S60 WeakPolarHBondContact O-CB 3.34Å; A56-S60 PolarHBondContact O-N 3Å
57F66.4Low64Low31 Ų3180.7 Ų80.714%0.13640%0.403CS..Hα-helixtrans-67.1-39.3178.6-179.8-111000112.7F20 V23 I53 E54 W63F20-F57 HydrophobicContact CD2-CD1 4.19Å; F20-F57 AromaticContact CD2-CE1 3.56Å; F20-F57 HydrophobicContact CD2-CE1 3.56Å; F20-F57 HydrophobicContact CD2-CZ 4.26Å; F20-F57 HydrophobicContact CE2-CD1 4.25Å; F20-F57 HydrophobicContact CE2-CE1 4.04Å; F20-F57 HydrophobicContact CG-CE1 4.43Å; V23-F57 HydrophobicContact CB-CE1 3.82Å; V23-F57 HydrophobicContact CB-CZ 3.84Å; V23-F57 HydrophobicContact CG1-CD1 4.39Å; V23-F57 HydrophobicContact CG1-CE1 4.07Å; V23-F57 HydrophobicContact CG1-CZ 4.26Å; V23-F57 HydrophobicContact CG2-CE1 4.05Å; V23-F57 HydrophobicContact CG2-CE2 4.06Å; V23-F57 HydrophobicContact CG2-CZ 3.51Å; I53-F57 WeakPolarHBondContact O-CB 3.4Å; I53-F57 PolarHBondContact O-N 2.88Å; E54-F57 PolarHBondContact O-N 2.92Å; F57-W63 HydrophobicContact CD2-CE3 4.46Å; F57-W63 HydrophobicContact CE2-CE3 4.29Å
58V62.2Low62.8Low33 Ų3382.4 Ų82.420%0.242%0.42CS..Hα-helixtrans-77.1-39.5-179.8-177.40000111.8F20 E54 R111F20-V58 HydrophobicContact CE2-CB 4.44Å; F20-V58 HydrophobicContact CE2-CG1 4.39Å; F20-V58 HydrophobicContact CE2-CG2 3.84Å; F20-V58 HydrophobicContact CZ-CG2 4.16Å; E54-V58 HydrophobicContact CG-CG2 4.34Å; E54-V58 WeakPolarHBondContact O-CB 3.34Å; E54-V58 WeakPolarHBondContact O-CG2 3.34Å; E54-V58 PolarHBondContact O-N 3.47Å; V58-R111 HydrophobicContact CG1-CB 3.76Å; V58-R111 HydrophobicContact CG1-CG 4.27Å
59N54.1Low62.3Low67 Ų6777.2 Ų77.236%0.35840%0.397SS..Hα-helixtrans-88.3-19.7-176.4-65.3-48.2000114.5D55 Q61 R111D55-N59 WeakPolarHBondContact O-CB 3.27Å; D55-N59 VanDerWaalsContact O-CG 3.32Å; D55-N59 PolarHBondContact O-N 2.97Å; D55-N59 PolarHBondContact O-ND2 3.23Å; D55-N59 PolarHBondContact OD1-ND2 3.45Å; N59-Q61 PolarHBondContact O-N 2.68Å; N59-R111 PolarHBondContact ND2-NH1 3.41Å; N59-R111 VanDerWaalsContact ND2-NH1 3.18Å; N59-R111 PolarHBondContact OD1-NH1 3.09Å
60S57.5Low62.2Low35 Ų3573.1 Ų73.125%0.24538%0.382CS..  trans-72.8106.2-173.1-174.90000112.9A56 E62 W63A56-S60 WeakPolarHBondContact O-CB 3.34Å; A56-S60 PolarHBondContact O-N 3Å; S60-E62 PolarHBondContact O-N 2.77Å; S60-E62 PolarHBondContact OG-N 3.09Å; S60-W63 PolarHBondContact O-N 2.81Å
61Q49.7Very low62.4Low120 Ų12074 Ų7456%0.56139%0.385SS*.THydrogen-bonded Turntrans-67.64.7171.5-12517513.400113.9N59 E71N59-Q61 PolarHBondContact O-N 2.68Å; Q61-E71 PolarHBondContact NE2-OE2 2.76Å
62E46.3Very low63.2Low173 Ų17372 Ų7281%0.80837%0.374SS*.THydrogen-bonded Turntrans-88.9-16.6169.6-54.3-170.3137.300112.4S60S60-E62 PolarHBondContact O-N 2.77Å; S60-E62 PolarHBondContact OG-N 3.09Å
63W49.7Very low64Low125 Ų12571.1 Ų71.147%0.47336%0.36SS..THydrogen-bonded Turntrans-98.4-20.1-176.7-72.567.9000113.6R19 F57 S60 L65R19-W63 PolarHBondContact NH1-O 2.89Å; R19-W63 VanDerWaalsContact NH2-CZ3 3.33Å; F57-W63 HydrophobicContact CD2-CE3 4.46Å; F57-W63 HydrophobicContact CE2-CE3 4.29Å; S60-W63 PolarHBondContact O-N 2.81Å; W63-L65 PolarHBondContact O-N 2.89Å
64T53.4Low64.9Low28 Ų2865.7 Ų65.717%0.17233%0.332CS..SBendtrans-65125171.539.10000111E16 S66 L124E16-T64 HydrophobicContact CG-CG2 4.28Å; E16-T64 WeakPolarHBondContact OE2-CA 3.28Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-L124 HydrophobicContact CG2-CD2 4.17Å
65L47.9Very low65.8Low78 Ų7864.3 Ų64.341%0.40833%0.326SS..SBendtrans-63.4103.4-178-85166.7000112.6E16 W63E16-L65 PolarHBondContact OE2-N 2.82Å; E16-L65 VanDerWaalsContact OE2-N 3.07Å; W63-L65 PolarHBondContact O-N 2.89Å
66S51.3Low67.1Low63 Ų6361.7 Ų61.744%0.44131%0.312SS..  trans72.1134.217677.50000116.5T64 T68T64-S66 PolarHBondContact O-N 3.45Å; S66-T68 WeakPolarHBondContact CB-OG1 3.47Å; S66-T68 PolarHBondContact O-N 3.37Å; S66-T68 PolarHBondContact OG-OG1 3.36Å
67R56.3Low68.2Low256 Ų25659.1 Ų59.197%0.96629%0.29SS*.THydrogen-bonded Turntrans-68.320.9174.7-62.8-174.7176.5-172.1-0.9114.4
68T57.5Low69.2Low97 Ų9757.7 Ų57.760%0.59528%0.284SS*.THydrogen-bonded Turntrans-115.9-4.9-174.633.80000113.5S66S66-T68 WeakPolarHBondContact CB-OG1 3.47Å; S66-T68 PolarHBondContact O-N 3.37Å; S66-T68 PolarHBondContact OG-OG1 3.36Å
69V69.1Low70.2Confident24 Ų2457.2 Ų57.215%0.14528%0.28CS..SBendtrans-84.3129.9172.3174.60000109.9A12 I13 E71 L124A12-V69 HydrophobicContact CB-CG2 4.21Å; I13-V69 HydrophobicContact CD1-CG1 4.01Å; I13-V69 HydrophobicContact CG1-CG1 3.49Å; I13-V69 VanDerWaalsContact CG1-CG1 3.49Å; I13-V69 HydrophobicContact CG1-CG2 4.31Å; V69-E71 PolarHBondContact O-N 3.05Å; V69-L124 HydrophobicContact CG1-CB 3.8Å
70P80.5Confident71.4Confident38 Ų3858.6 Ų58.625%0.24729%0.287CS..  trans-81.4110.6176.631.1-31.2000111.3S122 H123 L124P70-S122 WeakPolarHBondContact CG-O 3.49Å; P70-H123 VanDerWaalsContact O-CA 3.32Å; P70-H123 WeakPolarHBondContact O-CA 3.36Å; P70-H123 WeakPolarHBondContact O-CB 3.2Å; P70-L124 PolarHBondContact O-N 3.04Å
71E86.2Confident72.5Confident30 Ų3059.3 Ų59.314%0.1430%0.295CS..EExtended strand (participates in β ladder)trans-82.9145.3177.4-61176.1173.700112.2Q61 V69 K73 L124 L126 R239Q61-E71 PolarHBondContact NE2-OE2 2.76Å; V69-E71 PolarHBondContact O-N 3.05Å; E71-K73 WeakPolarHBondContact OE2-CE 3.41Å; E71-K73 IonicContact OE2-NZ 2.59Å; E71-L124 CarbonylContact C-O 3.46Å; E71-L124 WeakPolarHBondContact CA-O 3.42Å; E71-L126 HydrophobicContact CB-CD1 4.41Å; E71-L126 HydrophobicContact CG-CD1 4.49Å; E71-R239 VanDerWaalsContact O-CZ 3.24Å; E71-R239 PolarHBondContact O-NH1 3.4Å; E71-R239 PolarHBondContact O-NH2 3.17Å
72L90.4Very high74.1Confident0 Ų053.6 Ų53.60%027%0.269CS..EExtended strand (participates in β ladder)trans-129.2122171.6-60.5172.9000109.4I116 H123 L124 L125 L126 A232 V235 V236L72-I116 HydrophobicContact CD1-CG2 3.97Å; L72-H123 HydrophobicContact CD1-CB 3.59Å; L72-H123 HydrophobicContact CG-CB 3.96Å; L72-L124 PolarHBondContact N-O 2.81Å; L72-L125 HydrophobicContact CB-CD1 4.02Å; L72-L126 PolarHBondContact O-N 2.84Å; L72-A232 HydrophobicContact CD1-CB 3.95Å; L72-V235 HydrophobicContact CD2-CB 4.13Å; L72-V235 HydrophobicContact CD2-CG1 3.48Å; L72-V235 VanDerWaalsContact CD2-CG1 3.48Å; L72-V236 HydrophobicContact CD1-CG2 4.44Å; L72-V236 HydrophobicContact CD2-CG2 3.98Å
73K90.3Very high75.9Confident39 Ų3945.4 Ų45.417%0.1723%0.23CC..EExtended strand (participates in β ladder)trans-104.6115.4-174.7-66.1170.6-175.6179.10111.3E71 L126 W142 D144 A145E71-K73 WeakPolarHBondContact OE2-CE 3.41Å; E71-K73 IonicContact OE2-NZ 2.59Å; K73-L126 HydrophobicContact CG-CB 4.24Å; K73-L126 HydrophobicContact CG-CD1 3.98Å; K73-W142 HydrophobicContact CB-CD2 4.27Å; K73-W142 HydrophobicContact CB-CE3 4.04Å; K73-W142 HydrophobicContact CB-CH2 3.92Å; K73-W142 HydrophobicContact CB-CZ2 4.16Å; K73-W142 HydrophobicContact CB-CZ3 3.86Å; K73-W142 WeakPolarHBondContact CB-O 3.32Å; K73-W142 HydrophobicContact CD-CD2 4.14Å; K73-W142 HydrophobicContact CD-CG 4.4Å; K73-W142 HydrophobicContact CD-CZ2 4.23Å; K73-W142 WeakPolarHBondContact CD-O 3.02Å; K73-W142 HydrophobicContact CG-CD2 4.41Å; K73-W142 HydrophobicContact CG-CH2 4.15Å; K73-W142 HydrophobicContact CG-CZ2 3.91Å; K73-D144 WeakPolarHBondContact CB-OD2 3.29Å; K73-D144 PolarHBondContact N-OD2 2.74Å; K73-D144 WeakPolarHBondContact O-CA 3.21Å; K73-D144 WeakPolarHBondContact O-CB 3.39Å; K73-D144 PolarHBondContact O-N 2.76Å; K73-A145 PolarHBondContact O-N 3.36Å
74V92.4Very high77.7Confident1 Ų139.8 Ų39.81%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-118.9119.2-177.9177.70000110.1I76 L125 L126 I127 R128 V147 V231V74-I76 HydrophobicContact CG1-CG1 4.35Å; V74-L125 HydrophobicContact CB-CD1 4.35Å; V74-L125 HydrophobicContact CG2-CD1 3.64Å; V74-L126 PolarHBondContact N-O 3.41Å; V74-I127 WeakPolarHBondContact O-CA 3.24Å; V74-R128 PolarHBondContact O-N 3.02Å; V74-V147 HydrophobicContact CG1-CG2 3.97Å; V74-V231 HydrophobicContact CB-CG1 4.43Å; V74-V231 HydrophobicContact CG1-CG1 3.95Å; V74-V231 HydrophobicContact CG2-CG1 3.54Å
75G90.1Very high79Confident0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-91.713917100000111.3R128 A145 V146 V147G75-R128 WeakPolarHBondContact CA-O 3.49Å; G75-A145 PolarHBondContact N-O 2.76Å; G75-V146 CarbonylContact O-C 3.57Å; G75-V146 WeakPolarHBondContact O-CA 3.48Å; G75-V147 PolarHBondContact O-N 2.96Å
76I91.1Very high80.7Confident0 Ų036.5 Ų36.50%020%0.195CC..EExtended strand (participates in β ladder)trans-120.8129.3178.2-60.4176.5000107.6V74 K84 V88 I127 R128 E130 V147 V149 F228V74-I76 HydrophobicContact CG1-CG1 4.35Å; I76-K84 HydrophobicContact CG2-CB 3.99Å; I76-V88 HydrophobicContact CD1-CG2 3.28Å; I76-I127 HydrophobicContact CD1-CG2 3.52Å; I76-I127 HydrophobicContact CG1-CG2 4.28Å; I76-R128 PolarHBondContact N-O 2.99Å; I76-E130 PolarHBondContact O-N 2.95Å; I76-V147 WeakPolarHBondContact CA-O 3.28Å; I76-V147 HydrophobicContact CG1-CB 4.25Å; I76-V149 HydrophobicContact CG2-CG2 3.68Å; I76-F228 HydrophobicContact CD1-CE1 3.8Å; I76-F228 HydrophobicContact CD1-CZ 3.73Å
77V89.5Confident82.5Confident3 Ų333.6 Ų33.62%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-139.1117.3-164.1-172.60000110.2F139 V146 V147 F148 V149 Y164V77-F139 HydrophobicContact CG2-CE1 3.74Å; V77-F139 HydrophobicContact CG2-CZ 3.47Å; V77-F139 VanDerWaalsContact CG2-CZ 3.47Å; V77-V146 HydrophobicContact CB-CG1 4.44Å; V77-V146 HydrophobicContact CG2-CG1 3.86Å; V77-V147 PolarHBondContact N-O 3.21Å; V77-F148 HydrophobicContact CB-CD1 4.14Å; V77-F148 HydrophobicContact CB-CE1 4.27Å; V77-F148 HydrophobicContact CG1-CD1 4.36Å; V77-F148 HydrophobicContact CG1-CE1 4.25Å; V77-F148 WeakPolarHBondContact O-CA 3.4Å; V77-V149 PolarHBondContact O-N 2.88Å; V77-Y164 HydrophobicContact CG1-CD2 3.49Å; V77-Y164 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y164 HydrophobicContact CG1-CE2 4.12Å; V77-Y164 HydrophobicContact CG1-CG 3.87Å
78G86.9Confident84Confident1 Ų121.4 Ų21.41%0.0113%0.129CC..  trans-167.7165.3178.300000110.3V149G78-V149 WeakPolarHBondContact CA-O 3.38Å
79N83.7Confident85.3Confident23 Ų2319.2 Ų19.212%0.12311%0.112CC..  trans-68.5171.8169.366.1-23.9000110.2A81 S82 D154 S157N79-A81 PolarHBondContact O-N 2.96Å; N79-S82 WeakPolarHBondContact O-CB 3.44Å; N79-S82 PolarHBondContact O-N 3.26Å; N79-S82 VanDerWaalsContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.67Å; N79-S82 WeakPolarHBondContact OD1-CA 3.5Å; N79-S82 VanDerWaalsContact OD1-CB 3.32Å; N79-S82 WeakPolarHBondContact OD1-CB 3.37Å; N79-S82 PolarHBondContact OD1-N 3.24Å; N79-D154 PolarHBondContact ND2-OD2 2.89Å; N79-S157 WeakPolarHBondContact ND2-CA 3.27Å; N79-S157 WeakPolarHBondContact OD1-CA 3.46Å; N79-S157 WeakPolarHBondContact OD1-CB 3.31Å
80L79.4Confident86.1Confident97 Ų9720.7 Ų20.751%0.50812%0.115SC..G310 helixtrans-51.1-58.7176-77.865.2000110.5S82 G83 G131L80-S82 PolarHBondContact O-N 2.89Å; L80-G83 PolarHBondContact O-N 2.84Å; L80-G131 WeakPolarHBondContact CD1-O 3.32Å
81A80.3Confident86.5Confident50 Ų5019.1 Ų19.141%0.41310%0.104SC..G310 helixtrans-63.13.7178.800000116.6N79 G83 S151N79-A81 PolarHBondContact O-N 2.96Å; A81-G83 VanDerWaalsContact C-N 3.29Å; A81-G83 PolarHBondContact O-N 2.86Å; A81-S151 VanDerWaalsContact O-CB 3.31Å; A81-S151 WeakPolarHBondContact O-CB 3.49Å
82S84.6Confident86.5Confident0 Ų020 Ų200%011%0.109CC..G310 helixtrans-70.5-24.3174.364.40000113.5N79 L80 K84 V149 F150 I184N79-S82 WeakPolarHBondContact O-CB 3.44Å; N79-S82 PolarHBondContact O-N 3.26Å; N79-S82 VanDerWaalsContact O-N 3.11Å; N79-S82 PolarHBondContact O-OG 2.67Å; N79-S82 WeakPolarHBondContact OD1-CA 3.5Å; N79-S82 VanDerWaalsContact OD1-CB 3.32Å; N79-S82 WeakPolarHBondContact OD1-CB 3.37Å; N79-S82 PolarHBondContact OD1-N 3.24Å; L80-S82 PolarHBondContact O-N 2.89Å; S82-K84 VanDerWaalsContact C-N 3.34Å; S82-K84 WeakPolarHBondContact OG-CB 3.41Å; S82-K84 PolarHBondContact OG-N 3.3Å; S82-V149 WeakPolarHBondContact CB-O 3.34Å; S82-F150 CarbonylContact O-C 3.49Å; S82-I184 WeakPolarHBondContact O-CD1 3.36Å
83G83.8Confident86Confident0 Ų023.6 Ų23.60%013%0.131CC..  trans80.68.2-172.600000115.3L80 A81 S85 A86 L87 I184 Y186L80-G83 PolarHBondContact O-N 2.84Å; A81-G83 VanDerWaalsContact C-N 3.29Å; A81-G83 PolarHBondContact O-N 2.86Å; G83-S85 PolarHBondContact O-N 2.77Å; G83-S85 VanDerWaalsContact O-N 3.17Å; G83-A86 PolarHBondContact O-N 2.73Å; G83-A86 VanDerWaalsContact O-N 3.14Å; G83-L87 PolarHBondContact O-N 2.83Å; G83-I184 VanDerWaalsContact O-CD1 3.27Å; G83-I184 WeakPolarHBondContact O-CD1 3.32Å; G83-Y186 WeakPolarHBondContact CA-OH 3.35Å
84K86.3Confident85.4Confident7 Ų723.7 Ų23.73%0.0314%0.143CC..Hα-helixtrans-44.6-44.1176.367.3-166.1-161.6-39.60113.8I76 S82 L87 V88 D129 E130 V149I76-K84 HydrophobicContact CG2-CB 3.99Å; S82-K84 VanDerWaalsContact C-N 3.34Å; S82-K84 WeakPolarHBondContact OG-CB 3.41Å; S82-K84 PolarHBondContact OG-N 3.3Å; K84-L87 WeakPolarHBondContact O-CB 3.49Å; K84-L87 PolarHBondContact O-N 2.76Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3Å; K84-D129 WeakPolarHBondContact CD-OD1 3.35Å; K84-D129 WeakPolarHBondContact CE-OD1 3.32Å; K84-D129 WeakPolarHBondContact CG-OD1 3.49Å; K84-E130 VanDerWaalsContact CE-O 3.31Å; K84-E130 WeakPolarHBondContact CE-O 3.3Å; K84-V149 HydrophobicContact CB-CB 4.09Å; K84-V149 HydrophobicContact CB-CG1 4.14Å; K84-V149 HydrophobicContact CB-CG2 4.22Å
85S82.4Confident84.7Confident23 Ų2327.4 Ų27.416%0.16117%0.166CC..Hα-helixtrans-76.5-33.5-173.2-48.40000111G83 V88 H89 D129G83-S85 PolarHBondContact O-N 2.77Å; G83-S85 VanDerWaalsContact O-N 3.17Å; S85-V88 PolarHBondContact O-N 2.8Å; S85-H89 WeakPolarHBondContact O-CB 3.49Å; S85-H89 PolarHBondContact O-N 3.35Å; S85-D129 WeakPolarHBondContact CA-OD2 3.22Å; S85-D129 WeakPolarHBondContact CB-OD2 3.49Å; S85-D129 PolarHBondContact OG-OD2 2.69Å
86A83.4Confident83.9Confident15 Ų1530.1 Ų30.112%0.12418%0.177CC..Hα-helixtrans-67.9-33.9169.200000112.6G83 R90 Y96 A218G83-A86 PolarHBondContact O-N 2.73Å; G83-A86 VanDerWaalsContact O-N 3.14Å; A86-R90 WeakPolarHBondContact O-CB 3.46Å; A86-R90 PolarHBondContact O-N 2.99Å; A86-Y96 HydrophobicContact CB-CE2 4.33Å; A86-A218 HydrophobicContact CB-CB 4.09Å
87L88Confident82.8Confident1 Ų133.1 Ų33.11%0.00520%0.195CC..Hα-helixtrans-65.9-43.7172.2177.372.2000111.7G83 K84 Y91 V149 V182 I184 T216 V224 F228G83-L87 PolarHBondContact O-N 2.83Å; K84-L87 WeakPolarHBondContact O-CB 3.49Å; K84-L87 PolarHBondContact O-N 2.76Å; L87-Y91 WeakPolarHBondContact O-CB 3.21Å; L87-Y91 PolarHBondContact O-N 3.21Å; L87-V149 HydrophobicContact CD2-CG2 4.15Å; L87-V182 HydrophobicContact CD2-CG1 4.04Å; L87-I184 HydrophobicContact CB-CD1 3.71Å; L87-I184 HydrophobicContact CD2-CD1 4.24Å; L87-I184 HydrophobicContact CG-CD1 4.43Å; L87-T216 HydrophobicContact CD1-CG2 4.39Å; L87-V224 HydrophobicContact CD1-CB 4.2Å; L87-V224 HydrophobicContact CD1-CG1 3.84Å; L87-V224 HydrophobicContact CD1-CG2 3.78Å; L87-F228 HydrophobicContact CG-CE2 4.42Å
88V88.1Confident81.2Confident1 Ų140.6 Ų40.61%0.00623%0.23CC..Hα-helixtrans-65.5-51.4176.7173.10000111.1I76 K84 S85 R90 Y91 L92 F112 I127 F228I76-V88 HydrophobicContact CD1-CG2 3.28Å; K84-V88 WeakPolarHBondContact O-CG2 3.41Å; K84-V88 PolarHBondContact O-N 3Å; S85-V88 PolarHBondContact O-N 2.8Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.96Å; V88-Y91 WeakPolarHBondContact O-CB 3.24Å; V88-Y91 PolarHBondContact O-N 2.91Å; V88-Y91 VanDerWaalsContact O-N 3.07Å; V88-L92 HydrophobicContact CG1-CD1 3.67Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.15Å; V88-F112 HydrophobicContact CG1-CD2 3.57Å; V88-F112 HydrophobicContact CG1-CE2 3.54Å; V88-F112 HydrophobicContact CG1-CG 4.3Å; V88-F112 HydrophobicContact CG1-CZ 4.24Å; V88-I127 HydrophobicContact CG1-CG2 4.35Å; V88-I127 HydrophobicContact CG2-CG2 4.33Å; V88-F228 HydrophobicContact CG2-CZ 4.49Å
89H83.8Confident79.5Confident51 Ų5148.1 Ų48.124%0.23626%0.264CS..Hα-helixtrans-54.9-48.5176-177.2-86000110.8S85 Y91 L92 T93 T95 V97S85-H89 WeakPolarHBondContact O-CB 3.49Å; S85-H89 PolarHBondContact O-N 3.35Å; H89-Y91 VanDerWaalsContact C-N 3.26Å; H89-Y91 PolarHBondContact O-N 2.81Å; H89-L92 PolarHBondContact O-N 3.36Å; H89-L92 VanDerWaalsContact O-N 3.08Å; H89-T93 PolarHBondContact CE1-OG1 3.4Å; H89-T93 PolarHBondContact ND1-OG1 2.88Å; H89-T93 PolarHBondContact O-N 2.68Å; H89-T93 PolarHBondContact O-OG1 2.85Å; H89-T95 PolarHBondContact CE1-OG1 3.4Å; H89-T95 PolarHBondContact ND1-O 3.08Å; H89-T95 VanDerWaalsContact ND1-O 3.11Å; H89-V97 VanDerWaalsContact CE1-CG2 3.49Å; H89-V97 WeakPolarHBondContact CE1-CG2 3.2Å
90R86.7Confident78Confident55 Ų5551.3 Ų51.321%0.20828%0.279CS..Hα-helixtrans-60.9-33.3178.7-175.761.4-173.4-126.121113.3A86 V88 G94 T95 A218 T219 V224A86-R90 WeakPolarHBondContact O-CB 3.46Å; A86-R90 PolarHBondContact O-N 2.99Å; V88-R90 VanDerWaalsContact C-N 3.31Å; V88-R90 PolarHBondContact O-N 2.96Å; R90-G94 WeakPolarHBondContact CD-O 3.45Å; R90-G94 PolarHBondContact NE-O 2.92Å; R90-G94 PolarHBondContact NH2-O 2.96Å; R90-G94 VanDerWaalsContact O-CA 3.27Å; R90-G94 WeakPolarHBondContact O-CA 3.46Å; R90-G94 PolarHBondContact O-N 2.79Å; R90-T95 WeakPolarHBondContact CA-O 3.34Å; R90-T95 VanDerWaalsContact CD-C 3.48Å; R90-T95 VanDerWaalsContact CD-O 3.27Å; R90-T95 WeakPolarHBondContact CD-O 3.37Å; R90-A218 HydrophobicContact CB-CB 4.39Å; R90-A218 VanDerWaalsContact CD-O 3.26Å; R90-A218 WeakPolarHBondContact CD-O 3.25Å; R90-A218 VanDerWaalsContact CG-O 3.31Å; R90-A218 WeakPolarHBondContact CG-O 3.32Å; R90-A218 PolarHBondContact NH1-O 2.71Å; R90-T219 VanDerWaalsContact NH1-C 3.27Å; R90-T219 PolarHBondContact NH1-O 3.08Å; R90-V224 HydrophobicContact CG-CG1 4.46Å; R90-V224 HydrophobicContact CG-CG2 4.23Å
91Y89.6Confident76.1Confident5 Ų548.6 Ų48.62%0.0227%0.267CS..Hα-helixtrans-72.2-37.5174.7178.5-113.8000112.8L87 V88 H89 K114 L125 I127 V224 E225 F228L87-Y91 WeakPolarHBondContact O-CB 3.21Å; L87-Y91 PolarHBondContact O-N 3.21Å; V88-Y91 WeakPolarHBondContact O-CB 3.24Å; V88-Y91 PolarHBondContact O-N 2.91Å; V88-Y91 VanDerWaalsContact O-N 3.07Å; H89-Y91 VanDerWaalsContact C-N 3.26Å; H89-Y91 PolarHBondContact O-N 2.81Å; Y91-K114 HydrophobicContact CD1-CD 4.16Å; Y91-K114 HydrophobicContact CE1-CD 3.61Å; Y91-K114 PolarHBondContact O-NZ 2.89Å; Y91-L125 HydrophobicContact CE1-CD2 3.76Å; Y91-I127 HydrophobicContact CD1-CD1 3.83Å; Y91-I127 HydrophobicContact CE1-CD1 3.88Å; Y91-V224 HydrophobicContact CD2-CG1 4.38Å; Y91-E225 WeakPolarHBondContact CD2-OE2 3.39Å; Y91-E225 WeakPolarHBondContact CE2-OE1 3.36Å; Y91-E225 VanDerWaalsContact CE2-OE2 3.25Å; Y91-E225 WeakPolarHBondContact CE2-OE2 3.22Å; Y91-F228 HydrophobicContact CD1-CB 4.45Å; Y91-F228 AromaticContact CD1-CD1 3.77Å; Y91-F228 HydrophobicContact CD1-CD1 3.77Å; Y91-F228 AromaticContact CD1-CD2 3.72Å; Y91-F228 HydrophobicContact CD1-CD2 3.72Å; Y91-F228 AromaticContact CD1-CE1 3.83Å; Y91-F228 HydrophobicContact CD1-CE1 3.83Å; Y91-F228 AromaticContact CD1-CE2 3.81Å; Y91-F228 HydrophobicContact CD1-CE2 3.81Å; Y91-F228 AromaticContact CD1-CG 3.71Å; Y91-F228 HydrophobicContact CD1-CG 3.71Å; Y91-F228 AromaticContact CD1-CZ 3.85Å; Y91-F228 HydrophobicContact CD1-CZ 3.85Å; Y91-F228 HydrophobicContact CD2-CB 4.03Å; Y91-F228 AromaticContact CD2-CD2 3.39Å; Y91-F228 HydrophobicContact CD2-CD2 3.39Å; Y91-F228 AromaticContact CD2-CE2 4Å; Y91-F228 HydrophobicContact CD2-CE2 4Å; Y91-F228 AromaticContact CD2-CG 3.78Å; Y91-F228 HydrophobicContact CD2-CG 3.78Å; Y91-F228 HydrophobicContact CE1-CB 3.95Å; Y91-F228 AromaticContact CE1-CD1 3.65Å; Y91-F228 HydrophobicContact CE1-CD1 3.65Å; Y91-F228 HydrophobicContact CE1-CD2 4.1Å; Y91-F228 HydrophobicContact CE1-CE1 4.13Å; Y91-F228 AromaticContact CE1-CG 3.63Å; Y91-F228 HydrophobicContact CE1-CG 3.63Å; Y91-F228 HydrophobicContact CE2-CB 3.46Å; Y91-F228 VanDerWaalsContact CE2-CB 3.46Å; Y91-F228 AromaticContact CE2-CD2 3.79Å; Y91-F228 HydrophobicContact CE2-CD2 3.79Å; Y91-F228 AromaticContact CE2-CG 3.69Å; Y91-F228 HydrophobicContact CE2-CG 3.69Å; Y91-F228 HydrophobicContact CG-CB 4.49Å; Y91-F228 HydrophobicContact CG-CD1 4.29Å; Y91-F228 AromaticContact CG-CD2 3.35Å; Y91-F228 HydrophobicContact CG-CD2 3.35Å; Y91-F228 HydrophobicContact CG-CE1 4.37Å; Y91-F228 AromaticContact CG-CE2 3.48Å; Y91-F228 HydrophobicContact CG-CE2 3.48Å; Y91-F228 VanDerWaalsContact CG-CE2 3.48Å; Y91-F228 AromaticContact CG-CG 3.79Å; Y91-F228 HydrophobicContact CG-CG 3.79Å; Y91-F228 HydrophobicContact CG-CZ 4.01Å; Y91-F228 VanDerWaalsContact CZ-CB 3.43Å; Y91-F228 AromaticContact CZ-CG 3.63Å
92L85.2Confident74.4Confident49 Ų4951.3 Ų51.326%0.25728%0.281SS..Hα-helixtrans-76.5-54.6-177.9-66.8169.1000112.3V88 H89 F112 K114 I127V88-L92 HydrophobicContact CG1-CD1 3.67Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CG 3.44Å; V88-L92 PolarHBondContact O-N 3.15Å; H89-L92 PolarHBondContact O-N 3.36Å; H89-L92 VanDerWaalsContact O-N 3.08Å; L92-F112 HydrophobicContact CD1-CB 3.6Å; L92-F112 HydrophobicContact CD1-CD1 3.41Å; L92-F112 VanDerWaalsContact CD1-CD1 3.41Å; L92-F112 HydrophobicContact CD1-CD2 4Å; L92-F112 HydrophobicContact CD1-CE1 4.03Å; L92-F112 HydrophobicContact CD1-CG 3.38Å; L92-F112 HydrophobicContact CD2-CB 4.05Å; L92-F112 HydrophobicContact CG-CB 4.47Å; L92-K114 HydrophobicContact CD2-CB 4.09Å; L92-K114 HydrophobicContact CD2-CD 4.11Å; L92-I127 HydrophobicContact CD2-CD1 4.18Å
93T79.5Confident72.7Confident75 Ų7555.9 Ų55.946%0.4630%0.302SS..Hα-helixtrans-95.7-17-170.764.80000113.6H89 T95H89-T93 PolarHBondContact CE1-OG1 3.4Å; H89-T93 PolarHBondContact ND1-OG1 2.88Å; H89-T93 PolarHBondContact O-N 2.68Å; H89-T93 PolarHBondContact O-OG1 2.85Å; T93-T95 PolarHBondContact O-N 3.33Å; T93-T95 PolarHBondContact OG1-N 3.42Å; T93-T95 PolarHBondContact OG1-OG1 3.06Å; T93-T95 VanDerWaalsContact OG1-OG1 3.09Å
94G79.4Confident70.7Confident41 Ų4158.4 Ų58.442%0.42332%0.323SS..SBendtrans75.6-3.6-172.300000114.6R90R90-G94 WeakPolarHBondContact CD-O 3.45Å; R90-G94 PolarHBondContact NE-O 2.92Å; R90-G94 PolarHBondContact NH2-O 2.96Å; R90-G94 VanDerWaalsContact O-CA 3.27Å; R90-G94 WeakPolarHBondContact O-CA 3.46Å; R90-G94 PolarHBondContact O-N 2.79Å
95T76.3Confident68.3Low79 Ų7964 Ų6449%0.48535%0.354SS..  trans-107.6156.6179.563.30000112.1H89 R90 T93H89-T95 PolarHBondContact CE1-OG1 3.4Å; H89-T95 PolarHBondContact ND1-O 3.08Å; H89-T95 VanDerWaalsContact ND1-O 3.11Å; R90-T95 WeakPolarHBondContact CA-O 3.34Å; R90-T95 VanDerWaalsContact CD-C 3.48Å; R90-T95 VanDerWaalsContact CD-O 3.27Å; R90-T95 WeakPolarHBondContact CD-O 3.37Å; T93-T95 PolarHBondContact O-N 3.33Å; T93-T95 PolarHBondContact OG1-N 3.42Å; T93-T95 PolarHBondContact OG1-OG1 3.06Å; T93-T95 VanDerWaalsContact OG1-OG1 3.09Å
96Y74.9Confident66.4Low57 Ų5767.4 Ų67.422%0.22437%0.373CS..  trans-102.8132.5173.7173.9-111.9000109.8A86 Q98 Y186 A218 T219A86-Y96 HydrophobicContact CB-CE2 4.33Å; Y96-Q98 HydrophobicContact CE1-CB 3.76Å; Y96-Q98 HydrophobicContact CE1-CG 4.41Å; Y96-Y186 HydrophobicContact CE2-CD1 4.48Å; Y96-Y186 WeakPolarHBondContact OH-CD1 3.33Å; Y96-A218 HydrophobicContact CD2-CB 3.67Å; Y96-A218 HydrophobicContact CE2-CB 3.89Å; Y96-T219 HydrophobicContact CD1-CG2 4.05Å; Y96-T219 HydrophobicContact CE1-CG2 4.18Å
97V66Low64.4Low62 Ų6272.7 Ų72.738%0.37640%0.399SS..  trans-117.3133.7167.7-177.40000106H89 E99H89-V97 VanDerWaalsContact CE1-CG2 3.49Å; H89-V97 WeakPolarHBondContact CE1-CG2 3.2Å; V97-E99 HydrophobicContact CG1-CB 4.5Å; V97-E99 WeakPolarHBondContact CG1-O 3.38Å
98Q56.8Low62.3Low161 Ų16174.5 Ų74.575%0.75241%0.414SS*.SBendtrans-89.4-31-173.7178.9167.3-6.500112.9Y96Y96-Q98 HydrophobicContact CE1-CB 3.76Å; Y96-Q98 HydrophobicContact CE1-CG 4.41Å
99E51.9Low60.7Low159 Ų15976 Ų7674%0.74343%0.431SS*.SBendtrans-68.4135.3163.9-68.4167.613800107.8V97 S101V97-E99 HydrophobicContact CG1-CB 4.5Å; V97-E99 WeakPolarHBondContact CG1-O 3.38Å; E99-S101 PolarHBondContact O-N 3.2Å
100E51Low60Low90 Ų9074.7 Ų74.742%0.42143%0.43SS..PPolyproline II helixtrans-58.8121.5155.5-65.4-171.2102.700105.4
101S41Very low59.5Low39 Ų3973.9 Ų73.927%0.27343%0.427SS..PPolyproline II helixtrans-56.8142.2-177.4-175.60000108.8E99 E103 A104E99-S101 PolarHBondContact O-N 3.2Å; S101-E103 WeakPolarHBondContact CB-OE1 3.49Å; S101-E103 PolarHBondContact O-N 2.82Å; S101-E103 VanDerWaalsContact OG-CD 3.26Å; S101-E103 WeakPolarHBondContact OG-CG 3.34Å; S101-E103 PolarHBondContact OG-OE1 3Å; S101-A104 WeakPolarHBondContact O-CB 3.2Å; S101-A104 PolarHBondContact O-N 3.33Å
102P43.8Very low59.2Low108 Ų10876.1 Ų76.170%0.70144%0.437SS*.G310 helixtrans-57.2-10.5175.222.1-33.7000113.7A104 D105P102-A104 PolarHBondContact O-N 2.88Å; P102-D105 PolarHBondContact O-N 2.68Å
103E48.1Very low59.1Low95 Ų9574.6 Ų74.644%0.44443%0.429SS..G310 helixtrans-52.9-23.6161.2-65.2160.4-117.300114.9S101S101-E103 WeakPolarHBondContact CB-OE1 3.49Å; S101-E103 PolarHBondContact O-N 2.82Å; S101-E103 VanDerWaalsContact OG-CD 3.26Å; S101-E103 WeakPolarHBondContact OG-CG 3.34Å; S101-E103 PolarHBondContact OG-OE1 3Å
104A42.7Very low59.4Low53 Ų5373 Ų7344%0.43842%0.415SS..G310 helixtrans-94.8-14.3-176.900000113.9S101 P102S101-A104 WeakPolarHBondContact O-CB 3.2Å; S101-A104 PolarHBondContact O-N 3.33Å; P102-A104 PolarHBondContact O-N 2.88Å
105D36.4Very low59.9Low126 Ų12673.2 Ų73.267%0.67441%0.405SS*.SBendtrans-89.5117.9177.6-96.5-33.1000110.6P102P102-D105 PolarHBondContact O-N 2.68Å
106V42.1Very low60.6Low94 Ų9469.7 Ų69.757%0.5738%0.383SS*.SBendtrans76.1100.4173.1-165.50000115.9A108V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.84Å
107D41.6Very low61.3Low125 Ų12570.7 Ų70.767%0.66840%0.395SS*.SBendtrans68.5-18.4155.2-53.5-23.6000120.2I51 G109I51-D107 HydrophobicContact CD1-CB 4.18Å; D107-G109 PolarHBondContact O-N 3.24Å
108A43.4Very low62.4Low39 Ų3967.7 Ų67.732%0.32238%0.377SS..  trans-93.773.9177.500000113.3V106 G110V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.84Å; A108-G110 PolarHBondContact O-N 3.35Å
109G54.1Low63.7Low34 Ų3465 Ų6535%0.35137%0.368SS..  trans-54.7113.6179.400000113.2D107 R111D107-G109 PolarHBondContact O-N 3.24Å; G109-R111 WeakPolarHBondContact O-CG 3.21Å
110G69.3Low65.1Low22 Ų2260 Ų6023%0.22736%0.358CS..  trans-60.2128.5-161.300000115.3A108 F112 D129A108-G110 PolarHBondContact O-N 3.35Å; G110-F112 VanDerWaalsContact C-CE2 3.4Å; G110-D129 PolarHBondContact N-O 2.73Å; G110-D129 PolarHBondContact O-N 3.36Å
111R77.2Confident66.6Low38 Ų3860 Ų6014%0.14336%0.358CS..EExtended strand (participates in β ladder)trans-131.9133.3-178-66.1171.3-154.5173.814.5112D55 V58 N59 G109 I127 R128D55-R111 IonicContact OD1-CZ 2.68Å; D55-R111 IonicContact OD1-NH1 2.81Å; D55-R111 PolarHBondContact OD1-NH1 3.32Å; D55-R111 IonicContact OD1-NH2 2.77Å; D55-R111 PolarHBondContact OD1-NH2 2.88Å; D55-R111 IonicContact OD2-NH2 3.78Å; D55-R111 PolarHBondContact OD2-NH2 3.48Å; V58-R111 HydrophobicContact CG1-CB 3.76Å; V58-R111 HydrophobicContact CG1-CG 4.27Å; N59-R111 PolarHBondContact ND2-NH1 3.41Å; N59-R111 VanDerWaalsContact ND2-NH1 3.18Å; N59-R111 PolarHBondContact OD1-NH1 3.09Å; G109-R111 WeakPolarHBondContact O-CG 3.21Å; R111-I127 VanDerWaalsContact CA-O 3.29Å; R111-I127 WeakPolarHBondContact CA-O 3.36Å; R111-R128 HydrophobicContact CG-CB 4.22Å; R111-R128 HydrophobicContact CG-CG 3.99Å
112F81.8Confident68.7Low52 Ų5259 Ų5923%0.22835%0.352CS..EExtended strand (participates in β ladder)trans-139.4149.2-165.7-46.7-85.8000111.9V88 L92 G110 I127 D129V88-F112 HydrophobicContact CG1-CD2 3.57Å; V88-F112 HydrophobicContact CG1-CE2 3.54Å; V88-F112 HydrophobicContact CG1-CG 4.3Å; V88-F112 HydrophobicContact CG1-CZ 4.24Å; L92-F112 HydrophobicContact CD1-CB 3.6Å; L92-F112 HydrophobicContact CD1-CD1 3.41Å; L92-F112 VanDerWaalsContact CD1-CD1 3.41Å; L92-F112 HydrophobicContact CD1-CD2 4Å; L92-F112 HydrophobicContact CD1-CE1 4.03Å; L92-F112 HydrophobicContact CD1-CG 3.38Å; L92-F112 HydrophobicContact CD2-CB 4.05Å; L92-F112 HydrophobicContact CG-CB 4.47Å; G110-F112 VanDerWaalsContact C-CE2 3.4Å; F112-I127 HydrophobicContact CB-CB 4.32Å; F112-I127 HydrophobicContact CD2-CB 4.46Å; F112-I127 HydrophobicContact CD2-CG2 4.4Å; F112-I127 PolarHBondContact N-O 3.45Å; F112-I127 PolarHBondContact O-N 3.03Å; F112-D129 HydrophobicContact CE2-CB 4.5Å
113K84.3Confident70.8Confident18 Ų1854.4 Ų54.48%0.07832%0.321CS..EExtended strand (participates in β ladder)trans-116.6132.8176.3-61.7-170.1-177.9166.80109.9E16 I17 F20 L124 L125 L126E16-K113 IonicContact OE1-NZ 3.01Å; E16-K113 PolarHBondContact OE1-NZ 3Å; I17-K113 HydrophobicContact CG1-CB 4.12Å; F20-K113 HydrophobicContact CB-CD 3.85Å; F20-K113 HydrophobicContact CD1-CB 4.12Å; F20-K113 HydrophobicContact CD1-CD 4.01Å; F20-K113 HydrophobicContact CD1-CG 3.86Å; F20-K113 HydrophobicContact CD2-CD 3.82Å; F20-K113 VanDerWaalsContact CD2-CE 3.42Å; F20-K113 HydrophobicContact CD2-CG 4.31Å; F20-K113 HydrophobicContact CE1-CB 4.47Å; F20-K113 HydrophobicContact CE1-CG 4.03Å; F20-K113 HydrophobicContact CE2-CD 4.35Å; F20-K113 HydrophobicContact CE2-CG 4.45Å; F20-K113 HydrophobicContact CG-CD 3.62Å; F20-K113 HydrophobicContact CG-CG 4.01Å; F20-K113 HydrophobicContact CZ-CG 4.32Å; K113-L124 HydrophobicContact CB-CD1 4.07Å; K113-L125 WeakPolarHBondContact CA-O 2.95Å; K113-L126 HydrophobicContact CD-CD2 4.2Å; K113-L126 HydrophobicContact CG-CD2 3.78Å
114K86Confident72.7Confident41 Ų4150 Ų5018%0.17830%0.3CS..EExtended strand (participates in β ladder)trans-144.4149.3174.8-177.1170.6164.5-169.30111.7Y91 L92 L125 E225Y91-K114 HydrophobicContact CD1-CD 4.16Å; Y91-K114 HydrophobicContact CE1-CD 3.61Å; Y91-K114 PolarHBondContact O-NZ 2.89Å; L92-K114 HydrophobicContact CD2-CB 4.09Å; L92-K114 HydrophobicContact CD2-CD 4.11Å; K114-L125 PolarHBondContact N-O 3.01Å; K114-L125 WeakPolarHBondContact O-CB 3.36Å; K114-L125 PolarHBondContact O-N 2.97Å; K114-E225 IonicContact NZ-OE2 3.7Å
115E88.6Confident74.9Confident45 Ų4547.5 Ų47.521%0.2128%0.28CS..EExtended strand (participates in β ladder)trans-79128.2170-174.4173.2-165.900109.2S10 I13 R14 I17 S122S10-E115 WeakPolarHBondContact CA-OE1 3.38Å; S10-E115 WeakPolarHBondContact CB-OE1 3.44Å; S10-E115 PolarHBondContact OG-OE1 3Å; I13-E115 HydrophobicContact CG2-CB 3.72Å; I13-E115 HydrophobicContact CG2-CG 3.86Å; R14-E115 VanDerWaalsContact CD-OE2 3.27Å; R14-E115 WeakPolarHBondContact CD-OE2 3.46Å; R14-E115 VanDerWaalsContact CG-OE2 3.23Å; R14-E115 WeakPolarHBondContact CG-OE2 3.47Å; R14-E115 IonicContact NE-OE2 2.77Å; R14-E115 PolarHBondContact NE-OE2 3.28Å; I17-E115 HydrophobicContact CD1-CB 4.07Å; I17-E115 VanDerWaalsContact CD1-N 3.32Å; E115-S122 WeakPolarHBondContact OE1-CB 3.33Å; E115-S122 PolarHBondContact OE1-OG 2.84Å
116I91.1Very high77.4Confident5 Ų542.6 Ų42.63%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-127.2141.5172-165.7169.2000110.2L72 S122 H123 L125 A232L72-I116 HydrophobicContact CD1-CG2 3.97Å; I116-S122 WeakPolarHBondContact O-CA 3.41Å; I116-H123 HydrophobicContact CG2-CB 4.01Å; I116-H123 PolarHBondContact N-O 2.61Å; I116-H123 PolarHBondContact O-N 3.06Å; I116-L125 HydrophobicContact CB-CB 4.38Å; I116-L125 HydrophobicContact CD1-CD2 4.23Å; I116-L125 HydrophobicContact CG2-CB 3.88Å; I116-A232 HydrophobicContact CD1-CB 3.66Å
117V89.4Confident79.6Confident78 Ų7838.2 Ų38.247%0.47323%0.227SC..EExtended strand (participates in β ladder)trans-105.9117.9179.9-177.10000109.7Q229V117-Q229 PolarHBondContact O-NE2 3.1Å
118V89.3Confident81.7Confident0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-124.2130.6177.2-174.90000108.1G120 Q121 A232 Q233 V236V118-G120 PolarHBondContact O-N 2.81Å; V118-Q121 PolarHBondContact N-O 2.96Å; V118-Q121 PolarHBondContact O-N 3.21Å; V118-A232 HydrophobicContact CG2-CB 3.78Å; V118-Q233 HydrophobicContact CG1-CG 3.95Å; V118-V236 HydrophobicContact CB-CG2 4.26Å; V118-V236 HydrophobicContact CG1-CB 4.04Å; V118-V236 HydrophobicContact CG1-CG1 4.19Å; V118-V236 HydrophobicContact CG1-CG2 3.9Å
119D85.6Confident83.6Confident104 Ų10432.4 Ų32.456%0.55619%0.188SC*.THydrogen-bonded Turntrans49.732.5-179.4-56-13.3000114.8K240D119-K240 IonicContact OD2-NZ 3.91Å; D119-K240 PolarHBondContact OD2-NZ 3.31Å
120G79.6Confident84.4Confident53 Ų5332 Ų3255%0.54618%0.177SC..THydrogen-bonded Turntrans78.714.1-17800000115.2H6 V118H6-G120 PolarHBondContact CE1-O 3.1Å; H6-G120 PolarHBondContact ND1-O 3.06Å; V118-G120 PolarHBondContact O-N 2.81Å
121Q83.1Confident83.8Confident90 Ų9032.6 Ų32.642%0.42118%0.182SC..EExtended strand (participates in β ladder)trans-121.3127.6176.4-71.5-176.5-29.500111.2H6 V118 H123H6-Q121 VanDerWaalsContact CE1-CG 3.41Å; H6-Q121 WeakPolarHBondContact CE1-CG 3.19Å; H6-Q121 PolarHBondContact NE2-NE2 3.21Å; V118-Q121 PolarHBondContact N-O 2.96Å; V118-Q121 PolarHBondContact O-N 3.21Å; Q121-H123 PolarHBondContact O-ND1 2.84Å
122S85.7Confident82.9Confident19 Ų1931.8 Ų31.813%0.13319%0.186CC..EExtended strand (participates in β ladder)trans-68.7132.8170.3-61.80000110.9P70 E115 I116P70-S122 WeakPolarHBondContact CG-O 3.49Å; E115-S122 WeakPolarHBondContact OE1-CB 3.33Å; E115-S122 PolarHBondContact OE1-OG 2.84Å; I116-S122 WeakPolarHBondContact O-CA 3.41Å
123H87.3Confident81.5Confident12 Ų1232.6 Ų32.66%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-124149.9175.9-6870.1000109.4P70 L72 I116 Q121P70-H123 VanDerWaalsContact O-CA 3.32Å; P70-H123 WeakPolarHBondContact O-CA 3.36Å; P70-H123 WeakPolarHBondContact O-CB 3.2Å; L72-H123 HydrophobicContact CD1-CB 3.59Å; L72-H123 HydrophobicContact CG-CB 3.96Å; I116-H123 HydrophobicContact CG2-CB 4.01Å; I116-H123 PolarHBondContact N-O 2.61Å; I116-H123 PolarHBondContact O-N 3.06Å; Q121-H123 PolarHBondContact O-ND1 2.84Å
124L87.8Confident80Confident2 Ų232.3 Ų32.31%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-87.6107.7170.6176.960.2000108.9I13 E16 I17 T64 V69 P70 E71 L72 K113 L126I13-L124 HydrophobicContact CG1-CB 4.41Å; I13-L124 HydrophobicContact CG2-CD1 4.3Å; E16-L124 HydrophobicContact CG-CD2 4.13Å; I17-L124 HydrophobicContact CD1-CD1 4.42Å; I17-L124 HydrophobicContact CG1-CD1 4.13Å; T64-L124 HydrophobicContact CG2-CD2 4.17Å; V69-L124 HydrophobicContact CG1-CB 3.8Å; P70-L124 PolarHBondContact O-N 3.04Å; E71-L124 CarbonylContact C-O 3.46Å; E71-L124 WeakPolarHBondContact CA-O 3.42Å; L72-L124 PolarHBondContact N-O 2.81Å; K113-L124 HydrophobicContact CB-CD1 4.07Å; L124-L126 HydrophobicContact CD1-CD2 4.36Å; L124-L126 HydrophobicContact CD2-CD2 4.04Å; L124-L126 HydrophobicContact CG-CD2 3.89Å; L124-L126 HydrophobicContact CG-CG 4.45Å
125L89.9Confident78.8Confident1 Ų137.7 Ų37.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-84120.3175.6-174.164.4000109.3L72 V74 Y91 K113 K114 I116 I127 F228L72-L125 HydrophobicContact CB-CD1 4.02Å; V74-L125 HydrophobicContact CB-CD1 4.35Å; V74-L125 HydrophobicContact CG2-CD1 3.64Å; Y91-L125 HydrophobicContact CE1-CD2 3.76Å; K113-L125 WeakPolarHBondContact CA-O 2.95Å; K114-L125 PolarHBondContact N-O 3.01Å; K114-L125 WeakPolarHBondContact O-CB 3.36Å; K114-L125 PolarHBondContact O-N 2.97Å; I116-L125 HydrophobicContact CB-CB 4.38Å; I116-L125 HydrophobicContact CD1-CD2 4.23Å; I116-L125 HydrophobicContact CG2-CB 3.88Å; L125-I127 HydrophobicContact CD2-CD1 4.1Å; L125-I127 HydrophobicContact CD2-CG1 4.14Å; L125-I127 HydrophobicContact CG-CD1 4.44Å; L125-I127 HydrophobicContact CG-CG1 3.97Å; L125-F228 HydrophobicContact CD2-CD1 4.24Å
126L87.5Confident77.6Confident22 Ų2235.7 Ų35.712%0.11521%0.214CC..EExtended strand (participates in β ladder)trans-104.9112.8175-56.6179000107.8E71 L72 K73 V74 K113 L124 W142E71-L126 HydrophobicContact CB-CD1 4.41Å; E71-L126 HydrophobicContact CG-CD1 4.49Å; L72-L126 PolarHBondContact O-N 2.84Å; K73-L126 HydrophobicContact CG-CB 4.24Å; K73-L126 HydrophobicContact CG-CD1 3.98Å; V74-L126 PolarHBondContact N-O 3.41Å; K113-L126 HydrophobicContact CD-CD2 4.2Å; K113-L126 HydrophobicContact CG-CD2 3.78Å; L124-L126 HydrophobicContact CD1-CD2 4.36Å; L124-L126 HydrophobicContact CD2-CD2 4.04Å; L124-L126 HydrophobicContact CG-CD2 3.89Å; L124-L126 HydrophobicContact CG-CG 4.45Å; L126-W142 HydrophobicContact CB-CH2 4.11Å; L126-W142 HydrophobicContact CB-CZ2 4.07Å
127I88.3Confident76.2Confident3 Ų340.6 Ų40.62%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-104137.7-178.8-54.9174.1000108.7V74 I76 V88 Y91 L92 R111 F112 L125 F228V74-I127 WeakPolarHBondContact O-CA 3.24Å; I76-I127 HydrophobicContact CD1-CG2 3.52Å; I76-I127 HydrophobicContact CG1-CG2 4.28Å; V88-I127 HydrophobicContact CG1-CG2 4.35Å; V88-I127 HydrophobicContact CG2-CG2 4.33Å; Y91-I127 HydrophobicContact CD1-CD1 3.83Å; Y91-I127 HydrophobicContact CE1-CD1 3.88Å; L92-I127 HydrophobicContact CD2-CD1 4.18Å; R111-I127 VanDerWaalsContact CA-O 3.29Å; R111-I127 WeakPolarHBondContact CA-O 3.36Å; F112-I127 HydrophobicContact CB-CB 4.32Å; F112-I127 HydrophobicContact CD2-CB 4.46Å; F112-I127 HydrophobicContact CD2-CG2 4.4Å; F112-I127 PolarHBondContact N-O 3.45Å; F112-I127 PolarHBondContact O-N 3.03Å; L125-I127 HydrophobicContact CD2-CD1 4.1Å; L125-I127 HydrophobicContact CD2-CG1 4.14Å; L125-I127 HydrophobicContact CG-CD1 4.44Å; L125-I127 HydrophobicContact CG-CG1 3.97Å; I127-F228 HydrophobicContact CD1-CD1 4.3Å; I127-F228 HydrophobicContact CD1-CE1 3.8Å; I127-F228 HydrophobicContact CG1-CE1 4.36Å
128R86.1Confident75.4Confident33 Ų3343.4 Ų43.413%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-132.6112.7174179.7167.8171.21523.5109.7V74 G75 I76 R111 E130 F139 W142V74-R128 PolarHBondContact O-N 3.02Å; G75-R128 WeakPolarHBondContact CA-O 3.49Å; I76-R128 PolarHBondContact N-O 2.99Å; R111-R128 HydrophobicContact CG-CB 4.22Å; R111-R128 HydrophobicContact CG-CG 3.99Å; R128-E130 IonicContact CZ-OE1 2.69Å; R128-E130 IonicContact NE-OE1 3.52Å; R128-E130 PolarHBondContact NE-OE1 2.83Å; R128-E130 IonicContact NH2-OE1 3.01Å; R128-E130 PolarHBondContact NH2-OE1 2.89Å; R128-F139 HydrophobicContact CG-CE2 4.32Å; R128-W142 HydrophobicContact CB-CH2 3.8Å; R128-W142 HydrophobicContact CB-CZ3 3.71Å
129D84.4Confident75Confident9 Ų943.6 Ų43.65%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-94.1117.9178.1-171.520.9000109.7K84 S85 G110 F112K84-D129 WeakPolarHBondContact CD-OD1 3.35Å; K84-D129 WeakPolarHBondContact CE-OD1 3.32Å; K84-D129 WeakPolarHBondContact CG-OD1 3.49Å; S85-D129 WeakPolarHBondContact CA-OD2 3.22Å; S85-D129 WeakPolarHBondContact CB-OD2 3.49Å; S85-D129 PolarHBondContact OG-OD2 2.69Å; G110-D129 PolarHBondContact N-O 2.73Å; G110-D129 PolarHBondContact O-N 3.36Å; F112-D129 HydrophobicContact CE2-CB 4.5Å
130E70.5Confident74.7Confident26 Ų2638.6 Ų38.612%0.12122%0.219CC..EExtended strand (participates in β ladder)trans-104.4121.7-177.8-74-71.7161.200110.7I76 K84 R128 G132 P134 F139I76-E130 PolarHBondContact O-N 2.95Å; K84-E130 VanDerWaalsContact CE-O 3.31Å; K84-E130 WeakPolarHBondContact CE-O 3.3Å; R128-E130 IonicContact CZ-OE1 2.69Å; R128-E130 IonicContact NE-OE1 3.52Å; R128-E130 PolarHBondContact NE-OE1 2.83Å; R128-E130 IonicContact NH2-OE1 3.01Å; R128-E130 PolarHBondContact NH2-OE1 2.89Å; E130-G132 VanDerWaalsContact C-N 3.3Å; E130-G132 PolarHBondContact O-N 3.43Å; E130-P134 HydrophobicContact CG-CB 4.49Å; E130-F139 HydrophobicContact CG-CD2 3.74Å; E130-F139 HydrophobicContact CG-CE2 3.48Å; E130-F139 VanDerWaalsContact CG-CE2 3.48Å; E130-F139 HydrophobicContact CG-CZ 4.21Å
131G56.9Low74.7Confident33 Ų3341.6 Ų41.634%0.3422%0.221SC..SBendtrans-70-19.5-179.800000115.4L80L80-G131 WeakPolarHBondContact CD1-O 3.32Å
132G58.7Low74.8Confident22 Ų2240 Ų4023%0.22721%0.212CC..SBendtrans-150.4-169.9-167.200000114.1E130 P134E130-G132 VanDerWaalsContact C-N 3.3Å; E130-G132 PolarHBondContact O-N 3.43Å; G132-P134 WeakPolarHBondContact O-CD 3.48Å; G132-P134 VanDerWaalsContact O-N 3.12Å
133P51.8Low74.9Confident69 Ų6939.2 Ų39.245%0.44821%0.206SC..SBendtrans-63.1111.4173.325.5-31.3000109.4Y164P133-Y164 VanDerWaalsContact CA-CE1 3.49Å; P133-Y164 HydrophobicContact CB-CD1 4.36Å; P133-Y164 HydrophobicContact CB-CE1 3.78Å
134P53.4Low75.1Confident12 Ų1240.2 Ų40.28%0.07821%0.212CC..  trans-65.3158.3-168.523.1-32.3000112.2E130 G132 A136 F139 R167E130-P134 HydrophobicContact CG-CB 4.49Å; G132-P134 WeakPolarHBondContact O-CD 3.48Å; G132-P134 VanDerWaalsContact O-N 3.12Å; P134-A136 HydrophobicContact CG-CB 4.15Å; P134-A136 WeakPolarHBondContact O-CA 3.45Å; P134-A136 WeakPolarHBondContact O-CB 3.37Å; P134-A136 PolarHBondContact O-N 3.34Å; P134-F139 HydrophobicContact CB-CB 4.05Å; P134-F139 HydrophobicContact CB-CD1 4.2Å; P134-F139 HydrophobicContact CB-CG 4.06Å; P134-F139 HydrophobicContact CG-CD1 4.16Å; P134-R167 PolarHBondContact O-NH2 2.83Å
135E60.7Low75.4Confident154 Ų15440.1 Ų40.172%0.7221%0.211SC*.  trans-66.772.2160.5-66.5-154.315200109.3Q137 Q138 F139E135-Q137 PolarHBondContact O-N 3.18Å; E135-Q138 PolarHBondContact O-N 2.64Å; E135-F139 PolarHBondContact O-N 3.48Å
136A61.9Low75.5Confident3 Ų340.1 Ų40.13%0.02521%0.212CC..Hα-helixtrans-69.9-15.7-145.200000114.2P134 A140 Y171P134-A136 HydrophobicContact CG-CB 4.15Å; P134-A136 WeakPolarHBondContact O-CA 3.45Å; P134-A136 WeakPolarHBondContact O-CB 3.37Å; P134-A136 PolarHBondContact O-N 3.34Å; A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.34Å; A136-Y171 HydrophobicContact CB-CD2 3.36Å; A136-Y171 HydrophobicContact CB-CE2 3.48Å; A136-Y171 VanDerWaalsContact CB-CE2 3.48Å; A136-Y171 HydrophobicContact CB-CG 4.04Å
137Q63.4Low75.8Confident107 Ų10739.1 Ų39.150%0.521%0.206SC..Hα-helixtrans-69.3-41174-168.2170.6-0.700112.5E135 L141 Y171E135-Q137 PolarHBondContact O-N 3.18Å; Q137-L141 HydrophobicContact CG-CD1 4.44Å; Q137-L141 WeakPolarHBondContact O-CD1 3.33Å; Q137-L141 VanDerWaalsContact O-CG 3.25Å; Q137-L141 WeakPolarHBondContact O-CG 3.22Å; Q137-Y171 HydrophobicContact CB-CD1 3.78Å; Q137-Y171 HydrophobicContact CB-CE1 4.13Å; Q137-Y171 HydrophobicContact CG-CD1 4.35Å
138Q71.3Confident76Confident138 Ų13839.1 Ų39.165%0.64521%0.206SC*.Hα-helixtrans-72.9-49.7176.7-61.3-165.738.200110.5E135 L141 W142E135-Q138 PolarHBondContact O-N 2.64Å; Q138-L141 PolarHBondContact O-N 3.04Å; Q138-W142 WeakPolarHBondContact O-CB 3.44Å; Q138-W142 PolarHBondContact O-N 3.06Å
139F80.6Confident76.3Confident3 Ų337.5 Ų37.51%0.01320%0.2CC..Hα-helixtrans-60.3-49.4-178.9178.3-93.1000112.6V77 R128 E130 P134 E135 L141 W142 V143 V146V77-F139 HydrophobicContact CG2-CE1 3.74Å; V77-F139 HydrophobicContact CG2-CZ 3.47Å; V77-F139 VanDerWaalsContact CG2-CZ 3.47Å; R128-F139 HydrophobicContact CG-CE2 4.32Å; E130-F139 HydrophobicContact CG-CD2 3.74Å; E130-F139 HydrophobicContact CG-CE2 3.48Å; E130-F139 VanDerWaalsContact CG-CE2 3.48Å; E130-F139 HydrophobicContact CG-CZ 4.21Å; P134-F139 HydrophobicContact CB-CB 4.05Å; P134-F139 HydrophobicContact CB-CD1 4.2Å; P134-F139 HydrophobicContact CB-CG 4.06Å; P134-F139 HydrophobicContact CG-CD1 4.16Å; E135-F139 PolarHBondContact O-N 3.48Å; F139-L141 PolarHBondContact O-N 3.06Å; F139-W142 PolarHBondContact O-N 2.96Å; F139-W142 VanDerWaalsContact O-N 3.12Å; F139-V143 HydrophobicContact CD1-CG1 4.35Å; F139-V143 HydrophobicContact CD2-CG1 4.41Å; F139-V143 HydrophobicContact CE1-CG1 4Å; F139-V143 HydrophobicContact CE2-CG1 4.06Å; F139-V143 HydrophobicContact CZ-CG1 3.86Å; F139-V143 PolarHBondContact O-N 2.8Å; F139-V143 VanDerWaalsContact O-N 3.14Å; F139-V146 HydrophobicContact CE1-CG2 4.27Å
140A79.9Confident76.7Confident0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-67.2-24-177.200000113.3A136 L168 R172A136-A140 WeakPolarHBondContact O-CB 3.31Å; A136-A140 PolarHBondContact O-N 3.34Å; A140-L168 HydrophobicContact CB-CD1 3.67Å; A140-R172 HydrophobicContact CB-CB 4.11Å; A140-R172 WeakPolarHBondContact O-CD 3.11Å; A140-R172 PolarHBondContact O-NH1 2.95Å
141L80.4Confident77.7Confident115 Ų11536.1 Ų36.160%0.60219%0.194SC*.Hα-helixtrans-83.5-28.4173.1-67.6175.9000112.6Q137 Q138 F139Q137-L141 HydrophobicContact CG-CD1 4.44Å; Q137-L141 WeakPolarHBondContact O-CD1 3.33Å; Q137-L141 VanDerWaalsContact O-CG 3.25Å; Q137-L141 WeakPolarHBondContact O-CG 3.22Å; Q138-L141 PolarHBondContact O-N 3.04Å; F139-L141 PolarHBondContact O-N 3.06Å
142W84.1Confident79.3Confident57 Ų5734.5 Ų34.522%0.21618%0.177CC..Hα-helixtrans-75.7-38.5179.5179.396000113.7K73 L126 R128 Q138 F139K73-W142 HydrophobicContact CB-CD2 4.27Å; K73-W142 HydrophobicContact CB-CE3 4.04Å; K73-W142 HydrophobicContact CB-CH2 3.92Å; K73-W142 HydrophobicContact CB-CZ2 4.16Å; K73-W142 HydrophobicContact CB-CZ3 3.86Å; K73-W142 WeakPolarHBondContact CB-O 3.32Å; K73-W142 HydrophobicContact CD-CD2 4.14Å; K73-W142 HydrophobicContact CD-CG 4.4Å; K73-W142 HydrophobicContact CD-CZ2 4.23Å; K73-W142 WeakPolarHBondContact CD-O 3.02Å; K73-W142 HydrophobicContact CG-CD2 4.41Å; K73-W142 HydrophobicContact CG-CH2 4.15Å; K73-W142 HydrophobicContact CG-CZ2 3.91Å; L126-W142 HydrophobicContact CB-CH2 4.11Å; L126-W142 HydrophobicContact CB-CZ2 4.07Å; R128-W142 HydrophobicContact CB-CH2 3.8Å; R128-W142 HydrophobicContact CB-CZ3 3.71Å; Q138-W142 WeakPolarHBondContact O-CB 3.44Å; Q138-W142 PolarHBondContact O-N 3.06Å; F139-W142 PolarHBondContact O-N 2.96Å; F139-W142 VanDerWaalsContact O-N 3.12Å
143V88.6Confident80.8Confident3 Ų335.3 Ų35.32%0.01818%0.175CC..  trans-68.8141.5-175.6-66.70000113.7F139 V146 R172 L177F139-V143 HydrophobicContact CD1-CG1 4.35Å; F139-V143 HydrophobicContact CD2-CG1 4.41Å; F139-V143 HydrophobicContact CE1-CG1 4Å; F139-V143 HydrophobicContact CE2-CG1 4.06Å; F139-V143 HydrophobicContact CZ-CG1 3.86Å; F139-V143 PolarHBondContact O-N 2.8Å; F139-V143 VanDerWaalsContact O-N 3.14Å; V143-V146 HydrophobicContact CB-CG2 4.28Å; V143-V146 HydrophobicContact CG1-CG2 4.32Å; V143-V146 HydrophobicContact CG2-CG2 3.84Å; V143-R172 PolarHBondContact O-NH1 2.95Å; V143-L177 HydrophobicContact CG2-CD1 3.96Å
144D90.9Very high82.5Confident32 Ų3233.6 Ų33.617%0.17116%0.162CC..SBendtrans-86.4-28.1160-71.5-81.8000112.1K73 L177 P178 V235 R239K73-D144 WeakPolarHBondContact CB-OD2 3.29Å; K73-D144 PolarHBondContact N-OD2 2.74Å; K73-D144 WeakPolarHBondContact O-CA 3.21Å; K73-D144 WeakPolarHBondContact O-CB 3.39Å; K73-D144 PolarHBondContact O-N 2.76Å; D144-L177 WeakPolarHBondContact O-CD1 3.49Å; D144-P178 WeakPolarHBondContact O-CD 3.35Å; D144-V235 HydrophobicContact CB-CB 4.3Å; D144-V235 HydrophobicContact CB-CG1 3.53Å; D144-V235 HydrophobicContact CB-CG2 3.7Å; D144-R239 IonicContact OD1-CZ 3.5Å; D144-R239 VanDerWaalsContact OD1-CZ 3.28Å; D144-R239 IonicContact OD1-NE 3.87Å; D144-R239 PolarHBondContact OD1-NE 2.93Å; D144-R239 IonicContact OD1-NH2 3.26Å; D144-R239 PolarHBondContact OD1-NH2 2.67Å; D144-R239 IonicContact OD2-CZ 2.8Å; D144-R239 IonicContact OD2-NH2 2.72Å; D144-R239 PolarHBondContact OD2-NH2 2.92Å
145A93.1Very high84.2Confident1 Ų135.4 Ų35.41%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-153.6160.1178.100000112.3K73 G75 P178 V231 V235K73-A145 PolarHBondContact O-N 3.36Å; G75-A145 PolarHBondContact N-O 2.76Å; A145-P178 WeakPolarHBondContact CA-O 3.35Å; A145-P178 HydrophobicContact CB-CB 3.93Å; A145-P178 HydrophobicContact CB-CG 4.38Å; A145-P178 WeakPolarHBondContact CB-O 3.41Å; A145-V231 HydrophobicContact CB-CG1 3.66Å; A145-V235 HydrophobicContact CB-CG2 3.52Å
146V92.3Very high85.5Confident1 Ų133.4 Ų33.41%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-127.3133.5179.2177.20000111.9G75 V77 F139 V143 F148 L168 L177 P178 L179 V180G75-V146 CarbonylContact O-C 3.57Å; G75-V146 WeakPolarHBondContact O-CA 3.48Å; V77-V146 HydrophobicContact CB-CG1 4.44Å; V77-V146 HydrophobicContact CG2-CG1 3.86Å; F139-V146 HydrophobicContact CE1-CG2 4.27Å; V143-V146 HydrophobicContact CB-CG2 4.28Å; V143-V146 HydrophobicContact CG1-CG2 4.32Å; V143-V146 HydrophobicContact CG2-CG2 3.84Å; V146-F148 HydrophobicContact CG1-CD1 4.43Å; V146-F148 HydrophobicContact CG1-CD2 4.39Å; V146-F148 HydrophobicContact CG1-CE1 4.12Å; V146-F148 HydrophobicContact CG1-CE2 4.09Å; V146-F148 HydrophobicContact CG1-CZ 3.94Å; V146-L168 HydrophobicContact CB-CD2 4.21Å; V146-L168 HydrophobicContact CG1-CD2 4.24Å; V146-L168 HydrophobicContact CG2-CD2 3.95Å; V146-L177 HydrophobicContact CG2-CD2 4.16Å; V146-P178 PolarHBondContact N-O 3.32Å; V146-L179 HydrophobicContact CB-CD2 3.94Å; V146-L179 WeakPolarHBondContact O-CA 3.22Å; V146-V180 PolarHBondContact O-N 2.82Å; V146-V180 VanDerWaalsContact O-N 3.09Å
147V93.9Very high86.9Confident1 Ų133.3 Ų33.31%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-106.2117.1170.3-171.70000108.9V74 G75 I76 V77 V149 V180 V182 V227 V231V74-V147 HydrophobicContact CG1-CG2 3.97Å; G75-V147 PolarHBondContact O-N 2.96Å; I76-V147 WeakPolarHBondContact CA-O 3.28Å; I76-V147 HydrophobicContact CG1-CB 4.25Å; V77-V147 PolarHBondContact N-O 3.21Å; V147-V149 HydrophobicContact CG1-CG2 4.07Å; V147-V180 WeakPolarHBondContact CA-O 3.43Å; V147-V182 HydrophobicContact CG1-CB 4.36Å; V147-V182 HydrophobicContact CG1-CG2 3.52Å; V147-V227 HydrophobicContact CG1-CG1 4.06Å; V147-V227 HydrophobicContact CG2-CG1 4.45Å; V147-V231 HydrophobicContact CG2-CG2 3.67Å
148F93.3Very high88.3Confident2 Ų228.6 Ų28.61%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-88.2127.2171-70.2-67.8000109.9V77 V146 V161 Y165 L168 L179 V180 L181 V182 L208V77-F148 HydrophobicContact CB-CD1 4.14Å; V77-F148 HydrophobicContact CB-CE1 4.27Å; V77-F148 HydrophobicContact CG1-CD1 4.36Å; V77-F148 HydrophobicContact CG1-CE1 4.25Å; V77-F148 WeakPolarHBondContact O-CA 3.4Å; V146-F148 HydrophobicContact CG1-CD1 4.43Å; V146-F148 HydrophobicContact CG1-CD2 4.39Å; V146-F148 HydrophobicContact CG1-CE1 4.12Å; V146-F148 HydrophobicContact CG1-CE2 4.09Å; V146-F148 HydrophobicContact CG1-CZ 3.94Å; F148-V161 HydrophobicContact CB-CG1 3.72Å; F148-V161 HydrophobicContact CB-CG2 4.25Å; F148-V161 HydrophobicContact CD1-CG1 4.1Å; F148-V161 HydrophobicContact CG-CG1 3.89Å; F148-Y165 HydrophobicContact CE2-CD2 4.07Å; F148-Y165 HydrophobicContact CZ-CD2 4.24Å; F148-L168 HydrophobicContact CE2-CD2 4.29Å; F148-L168 HydrophobicContact CZ-CD2 3.72Å; F148-L179 HydrophobicContact CE2-CD1 4.42Å; F148-L179 HydrophobicContact CE2-CD2 4.08Å; F148-V180 PolarHBondContact N-O 2.86Å; F148-L181 HydrophobicContact CB-CD1 4.01Å; F148-V182 PolarHBondContact O-N 2.88Å; F148-L208 HydrophobicContact CD2-CD1 4.29Å
149V92.9Very high89.2Confident0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-119.3135-175.9-171.20000110.3I76 V77 G78 S82 K84 L87 V147 V182 I184I76-V149 HydrophobicContact CG2-CG2 3.68Å; V77-V149 PolarHBondContact O-N 2.88Å; G78-V149 WeakPolarHBondContact CA-O 3.38Å; S82-V149 WeakPolarHBondContact CB-O 3.34Å; K84-V149 HydrophobicContact CB-CB 4.09Å; K84-V149 HydrophobicContact CB-CG1 4.14Å; K84-V149 HydrophobicContact CB-CG2 4.22Å; L87-V149 HydrophobicContact CD2-CG2 4.15Å; V147-V149 HydrophobicContact CG1-CG2 4.07Å; V149-V182 WeakPolarHBondContact CA-O 3.45Å; V149-V182 HydrophobicContact CG2-CB 4.47Å; V149-I184 HydrophobicContact CG1-CD1 3.37Å; V149-I184 HydrophobicContact CG1-CG1 3.83Å
150F92.9Very high89.5Confident0 Ų028.8 Ų28.80%014%0.143CC..EExtended strand (participates in β ladder)trans-141.8155.2171.972-86.7000110.4S82 L152 S157 F158 V161 L181 V182 G183 I184 I196 A201 Y213S82-F150 CarbonylContact O-C 3.49Å; F150-L152 HydrophobicContact CE2-CD2 3.91Å; F150-L152 HydrophobicContact CE2-CG 4.41Å; F150-L152 HydrophobicContact CZ-CD2 4.39Å; F150-S157 WeakPolarHBondContact CB-OG 3.49Å; F150-F158 HydrophobicContact CB-CB 4.49Å; F150-F158 HydrophobicContact CD1-CD2 4.27Å; F150-F158 HydrophobicContact CD2-CB 4.02Å; F150-F158 AromaticContact CD2-CD2 3.72Å; F150-F158 HydrophobicContact CD2-CD2 3.72Å; F150-F158 HydrophobicContact CD2-CG 4.35Å; F150-F158 HydrophobicContact CE1-CD2 4.19Å; F150-F158 AromaticContact CE2-CD2 3.62Å; F150-F158 HydrophobicContact CE2-CD2 3.62Å; F150-F158 HydrophobicContact CE2-CE2 4.27Å; F150-F158 HydrophobicContact CG-CB 4.4Å; F150-F158 HydrophobicContact CG-CD2 4.05Å; F150-F158 AromaticContact CZ-CD2 3.87Å; F150-F158 HydrophobicContact CZ-CD2 3.87Å; F150-F158 HydrophobicContact CZ-CE2 4.15Å; F150-V161 HydrophobicContact CB-CG2 4.09Å; F150-L181 HydrophobicContact CD1-CD1 3.84Å; F150-L181 HydrophobicContact CD1-CG 4.42Å; F150-L181 HydrophobicContact CE1-CD1 3.78Å; F150-L181 HydrophobicContact CE1-CD2 4.22Å; F150-L181 HydrophobicContact CE1-CG 3.88Å; F150-V182 WeakPolarHBondContact CD1-O 3.23Å; F150-V182 PolarHBondContact N-O 3.18Å; F150-G183 CarbonylContact O-C 3.58Å; F150-G183 WeakPolarHBondContact O-CA 3.49Å; F150-I184 PolarHBondContact O-N 2.99Å; F150-I196 HydrophobicContact CD2-CD1 4.06Å; F150-I196 HydrophobicContact CE2-CB 4.35Å; F150-I196 HydrophobicContact CE2-CD1 4.17Å; F150-I196 HydrophobicContact CE2-CG2 3.9Å; F150-I196 HydrophobicContact CZ-CG2 4.46Å; F150-A201 HydrophobicContact CZ-CB 3.97Å; F150-Y213 AromaticContact CE1-CE2 3.94Å; F150-Y213 HydrophobicContact CE1-CE2 3.94Å; F150-Y213 AromaticContact CZ-CE2 3.83Å; F150-Y213 HydrophobicContact CZ-CE2 3.83Å
151S91.4Very high90Very high5 Ų528.8 Ų28.84%0.03514%0.143CC..EExtended strand (participates in β ladder)trans-88.1134.8172.7172.10000110A81 E153 D154 S157 I196A81-S151 VanDerWaalsContact O-CB 3.31Å; A81-S151 WeakPolarHBondContact O-CB 3.49Å; S151-E153 PolarHBondContact O-N 3.16Å; S151-E153 VanDerWaalsContact O-N 3.17Å; S151-E153 PolarHBondContact OG-N 3.28Å; S151-D154 PolarHBondContact O-N 2.88Å; S151-S157 PolarHBondContact N-OG 3.29Å; S151-S157 PolarHBondContact O-OG 3.07Å; S151-I196 WeakPolarHBondContact O-CD1 3.48Å
152L90.6Very high90.4Very high0 Ų026.8 Ų26.80%013%0.128CC..THydrogen-bonded Turntrans-67.1-9.9173.9-73.7165.6000113.1F150 I184 H185 R194 V195 I196 E215F150-L152 HydrophobicContact CE2-CD2 3.91Å; F150-L152 HydrophobicContact CE2-CG 4.41Å; F150-L152 HydrophobicContact CZ-CD2 4.39Å; L152-I184 WeakPolarHBondContact CB-O 3.4Å; L152-I184 PolarHBondContact N-O 3.37Å; L152-H185 HydrophobicContact CD1-CB 4.11Å; L152-R194 HydrophobicContact CB-CG 4.5Å; L152-V195 PolarHBondContact O-N 2.86Å; L152-I196 HydrophobicContact CD2-CB 4.3Å; L152-I196 WeakPolarHBondContact CD2-O 2.95Å; L152-I196 PolarHBondContact O-N 3.08Å; L152-E215 HydrophobicContact CD1-CG 4.19Å
153E88.4Confident90.5Very high38 Ų3828.8 Ų28.818%0.17814%0.14CC..THydrogen-bonded Turntrans-103-12.2-178.8-59165-133.800111.8S151 H185 Y186 N192 V195S151-E153 PolarHBondContact O-N 3.16Å; S151-E153 VanDerWaalsContact O-N 3.17Å; S151-E153 PolarHBondContact OG-N 3.28Å; E153-H185 IonicContact OE1-ND1 3.63Å; E153-Y186 PolarHBondContact OE1-N 3.22Å; E153-N192 HydrophobicContact CG-CB 4.45Å; E153-N192 VanDerWaalsContact OE2-CB 3.32Å; E153-N192 WeakPolarHBondContact OE2-CB 3.41Å; E153-N192 PolarHBondContact OE2-ND2 2.9Å; E153-V195 WeakPolarHBondContact O-CG2 3.39Å
154D87.6Confident90.5Very high34 Ų3429.6 Ų29.618%0.18214%0.142CC..  trans-123.7109179.717432000113.3N79 S151 I156 S157 F158N79-D154 PolarHBondContact ND2-OD2 2.89Å; S151-D154 PolarHBondContact O-N 2.88Å; D154-I156 VanDerWaalsContact C-N 3.26Å; D154-I156 PolarHBondContact O-N 3.09Å; D154-I156 VanDerWaalsContact OD1-CB 3.3Å; D154-I156 WeakPolarHBondContact OD1-CB 3.46Å; D154-I156 PolarHBondContact OD1-N 3.17Å; D154-S157 PolarHBondContact O-N 3.24Å; D154-S157 PolarHBondContact O-OG 3.34Å; D154-S157 VanDerWaalsContact OD2-CB 3.24Å; D154-S157 WeakPolarHBondContact OD2-CB 3.41Å; D154-S157 PolarHBondContact OD2-N 2.96Å; D154-F158 PolarHBondContact O-N 3.1Å
155E89.3Confident90.4Very high49 Ų4929.9 Ų29.923%0.22914%0.141CC..Hα-helixtrans-59.5-31.2173.6-179.362.8-149.800113.3F158 Q159 V195 R200E155-F158 PolarHBondContact O-N 2.89Å; E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.18Å; E155-Q159 PolarHBondContact OE1-NE2 3.04Å; E155-V195 HydrophobicContact CB-CG1 4.13Å; E155-R200 IonicContact OE1-CZ 3.18Å; E155-R200 IonicContact OE1-NH2 2.85Å; E155-R200 PolarHBondContact OE1-NH2 3.02Å; E155-R200 IonicContact OE2-CZ 2.75Å; E155-R200 IonicContact OE2-NH1 3.21Å; E155-R200 PolarHBondContact OE2-NH1 3.14Å; E155-R200 IonicContact OE2-NH2 2.81Å; E155-R200 PolarHBondContact OE2-NH2 3.3Å
156I89.4Confident90.1Very high113 Ų11333.3 Ų33.358%0.57917%0.165SC*.Hα-helixtrans-68.9-43.3-179-56.1177.7000109.8D154 F158 Q159 T160D154-I156 VanDerWaalsContact C-N 3.26Å; D154-I156 PolarHBondContact O-N 3.09Å; D154-I156 VanDerWaalsContact OD1-CB 3.3Å; D154-I156 WeakPolarHBondContact OD1-CB 3.46Å; D154-I156 PolarHBondContact OD1-N 3.17Å; I156-F158 VanDerWaalsContact C-N 3.3Å; I156-F158 PolarHBondContact O-N 3.07Å; I156-Q159 PolarHBondContact O-N 2.61Å; I156-T160 WeakPolarHBondContact O-CB 3.36Å; I156-T160 PolarHBondContact O-N 2.94Å; I156-T160 PolarHBondContact O-OG1 3.03Å
157S90Very high89.7Confident1 Ų137 Ų371%0.00718%0.179CC..Hα-helixtrans-55.9-44.3173.774.10000112N79 F150 S151 D154 T160 V161N79-S157 WeakPolarHBondContact ND2-CA 3.27Å; N79-S157 WeakPolarHBondContact OD1-CA 3.46Å; N79-S157 WeakPolarHBondContact OD1-CB 3.31Å; F150-S157 WeakPolarHBondContact CB-OG 3.49Å; S151-S157 PolarHBondContact N-OG 3.29Å; S151-S157 PolarHBondContact O-OG 3.07Å; D154-S157 PolarHBondContact O-N 3.24Å; D154-S157 PolarHBondContact O-OG 3.34Å; D154-S157 VanDerWaalsContact OD2-CB 3.24Å; D154-S157 WeakPolarHBondContact OD2-CB 3.41Å; D154-S157 PolarHBondContact OD2-N 2.96Å; S157-T160 PolarHBondContact O-N 3.41Å; S157-V161 PolarHBondContact O-N 3.21Å
158F92.2Very high89.3Confident8 Ų837.4 Ų37.44%0.03518%0.181CC..Hα-helixtrans-65.1-42.2179.6-178.7-105.5000112.7F150 D154 E155 I156 Y162 I196 R200 L204F150-F158 HydrophobicContact CB-CB 4.49Å; F150-F158 HydrophobicContact CD1-CD2 4.27Å; F150-F158 HydrophobicContact CD2-CB 4.02Å; F150-F158 AromaticContact CD2-CD2 3.72Å; F150-F158 HydrophobicContact CD2-CD2 3.72Å; F150-F158 HydrophobicContact CD2-CG 4.35Å; F150-F158 HydrophobicContact CE1-CD2 4.19Å; F150-F158 AromaticContact CE2-CD2 3.62Å; F150-F158 HydrophobicContact CE2-CD2 3.62Å; F150-F158 HydrophobicContact CE2-CE2 4.27Å; F150-F158 HydrophobicContact CG-CB 4.4Å; F150-F158 HydrophobicContact CG-CD2 4.05Å; F150-F158 AromaticContact CZ-CD2 3.87Å; F150-F158 HydrophobicContact CZ-CD2 3.87Å; F150-F158 HydrophobicContact CZ-CE2 4.15Å; D154-F158 PolarHBondContact O-N 3.1Å; E155-F158 PolarHBondContact O-N 2.89Å; I156-F158 VanDerWaalsContact C-N 3.3Å; I156-F158 PolarHBondContact O-N 3.07Å; F158-Y162 HydrophobicContact CE1-CE2 4.17Å; F158-Y162 HydrophobicContact CZ-CE2 4.42Å; F158-I196 HydrophobicContact CB-CD1 3.64Å; F158-I196 HydrophobicContact CB-CG1 4.06Å; F158-I196 HydrophobicContact CD1-CG1 4.39Å; F158-I196 HydrophobicContact CD2-CG1 4.46Å; F158-I196 HydrophobicContact CD2-CG2 3.84Å; F158-I196 HydrophobicContact CE2-CG2 3.83Å; F158-I196 HydrophobicContact CG-CD1 4.14Å; F158-I196 HydrophobicContact CG-CG1 4.07Å; F158-I196 HydrophobicContact CG-CG2 4.19Å; F158-I196 HydrophobicContact CZ-CG2 4.21Å; F158-R200 HydrophobicContact CZ-CB 4.25Å; F158-L204 HydrophobicContact CD2-CD2 3.84Å; F158-L204 HydrophobicContact CE2-CB 3.98Å; F158-L204 HydrophobicContact CE2-CD2 3.39Å; F158-L204 HydrophobicContact CE2-CG 4.33Å; F158-L204 HydrophobicContact CZ-CB 3.93Å; F158-L204 HydrophobicContact CZ-CD2 3.97Å
159Q90.3Very high88.9Confident115 Ų11539.5 Ų39.554%0.53720%0.199SC..Hα-helixtrans-68.8-34.7175-67.9-178.720.200112.1E155 I156 V161 Y162E155-Q159 WeakPolarHBondContact O-CG 3.47Å; E155-Q159 PolarHBondContact O-N 3.18Å; E155-Q159 PolarHBondContact OE1-NE2 3.04Å; I156-Q159 PolarHBondContact O-N 2.61Å; Q159-V161 VanDerWaalsContact C-N 3.29Å; Q159-V161 PolarHBondContact O-N 2.8Å; Q159-Y162 PolarHBondContact O-N 3.5Å
160T88.5Confident88.6Confident29 Ų2943.6 Ų43.618%0.17823%0.228CC..Hα-helixtrans-64.5-33180-54.40000112I156 S157 Y162 H163 Y164I156-T160 WeakPolarHBondContact O-CB 3.36Å; I156-T160 PolarHBondContact O-N 2.94Å; I156-T160 PolarHBondContact O-OG1 3.03Å; S157-T160 PolarHBondContact O-N 3.41Å; T160-Y162 VanDerWaalsContact C-N 3.3Å; T160-Y162 PolarHBondContact O-N 3.45Å; T160-H163 WeakPolarHBondContact O-CB 3.05Å; T160-H163 PolarHBondContact O-N 3.33Å; T160-Y164 HydrophobicContact CG2-CD1 4.23Å; T160-Y164 HydrophobicContact CG2-CD2 3.84Å; T160-Y164 HydrophobicContact CG2-CE1 3.75Å; T160-Y164 HydrophobicContact CG2-CE2 3.37Å; T160-Y164 HydrophobicContact CG2-CG 4.28Å; T160-Y164 PolarHBondContact O-N 3.49Å
161V90.4Very high88.1Confident1 Ų148.5 Ų48.51%0.00625%0.247CC..Hα-helixtrans-56.6-39.9174.2170.10000112.5F148 F150 S157 Q159 H163 Y164 Y165 L181 L204 L208F148-V161 HydrophobicContact CB-CG1 3.72Å; F148-V161 HydrophobicContact CB-CG2 4.25Å; F148-V161 HydrophobicContact CD1-CG1 4.1Å; F148-V161 HydrophobicContact CG-CG1 3.89Å; F150-V161 HydrophobicContact CB-CG2 4.09Å; S157-V161 PolarHBondContact O-N 3.21Å; Q159-V161 VanDerWaalsContact C-N 3.29Å; Q159-V161 PolarHBondContact O-N 2.8Å; V161-H163 VanDerWaalsContact C-N 3.34Å; V161-H163 PolarHBondContact O-N 3.14Å; V161-Y164 PolarHBondContact O-N 3.17Å; V161-Y165 WeakPolarHBondContact O-CB 3.43Å; V161-Y165 PolarHBondContact O-N 3Å; V161-L181 HydrophobicContact CG1-CD1 4.03Å; V161-L204 HydrophobicContact CB-CD2 4.39Å; V161-L204 HydrophobicContact CG1-CD1 4.43Å; V161-L204 HydrophobicContact CG1-CD2 3.99Å; V161-L208 HydrophobicContact CG1-CD1 4.15Å
162Y87.4Confident87.7Confident72 Ų7251.2 Ų51.228%0.28226%0.256SS..Hα-helixtrans-62-41175.6-75-88.8000111.9F158 Q159 T160 S166 L204 E207F158-Y162 HydrophobicContact CE1-CE2 4.17Å; F158-Y162 HydrophobicContact CZ-CE2 4.42Å; Q159-Y162 PolarHBondContact O-N 3.5Å; T160-Y162 VanDerWaalsContact C-N 3.3Å; T160-Y162 PolarHBondContact O-N 3.45Å; Y162-S166 WeakPolarHBondContact O-CB 3.38Å; Y162-S166 PolarHBondContact O-N 2.84Å; Y162-S166 PolarHBondContact O-OG 3.11Å; Y162-L204 HydrophobicContact CD1-CD1 3.88Å; Y162-L204 HydrophobicContact CD2-CD1 4.01Å; Y162-L204 HydrophobicContact CE1-CD1 3.54Å; Y162-L204 HydrophobicContact CE2-CB 4.47Å; Y162-L204 HydrophobicContact CE2-CD1 3.69Å; Y162-L204 HydrophobicContact CE2-CD2 4.32Å; Y162-L204 HydrophobicContact CE2-CG 4.37Å; Y162-L204 HydrophobicContact CG-CD1 4.11Å; Y162-L204 VanDerWaalsContact CZ-CD1 3.45Å; Y162-E207 PolarHBondContact OH-OE2 3.4Å
163H87.4Confident87.3Confident100 Ų10055.7 Ų55.746%0.46328%0.28SS..Hα-helixtrans-66.2-45178.3-176.478.9000111.4T160 V161 S166 R167T160-H163 WeakPolarHBondContact O-CB 3.05Å; T160-H163 PolarHBondContact O-N 3.33Å; V161-H163 VanDerWaalsContact C-N 3.34Å; V161-H163 PolarHBondContact O-N 3.14Å; H163-S166 PolarHBondContact O-N 3.32Å; H163-R167 VanDerWaalsContact NE2-CD 3.26Å; H163-R167 WeakPolarHBondContact NE2-CD 3.46Å; H163-R167 PolarHBondContact O-N 2.91Å
164Y87.5Confident86.9Confident19 Ų1954.4 Ų54.48%0.07528%0.275CS..Hα-helixtrans-66.4-40178.4-65.5-21.8000112.9V77 P133 T160 V161 R167 L168V77-Y164 HydrophobicContact CG1-CD2 3.49Å; V77-Y164 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y164 HydrophobicContact CG1-CE2 4.12Å; V77-Y164 HydrophobicContact CG1-CG 3.87Å; P133-Y164 VanDerWaalsContact CA-CE1 3.49Å; P133-Y164 HydrophobicContact CB-CD1 4.36Å; P133-Y164 HydrophobicContact CB-CE1 3.78Å; T160-Y164 HydrophobicContact CG2-CD1 4.23Å; T160-Y164 HydrophobicContact CG2-CD2 3.84Å; T160-Y164 HydrophobicContact CG2-CE1 3.75Å; T160-Y164 HydrophobicContact CG2-CE2 3.37Å; T160-Y164 HydrophobicContact CG2-CG 4.28Å; T160-Y164 PolarHBondContact O-N 3.49Å; V161-Y164 PolarHBondContact O-N 3.17Å; Y164-R167 PolarHBondContact O-N 3.06Å; Y164-L168 WeakPolarHBondContact O-CB 3.41Å; Y164-L168 PolarHBondContact O-N 3.45Å
165Y88.7Confident86.4Confident38 Ų3856 Ų5615%0.14929%0.293CS..Hα-helixtrans-63.3-43.7171.8171-107000112.3F148 V161 R167 L168 A169 T174 L179 L208F148-Y165 HydrophobicContact CE2-CD2 4.07Å; F148-Y165 HydrophobicContact CZ-CD2 4.24Å; V161-Y165 WeakPolarHBondContact O-CB 3.43Å; V161-Y165 PolarHBondContact O-N 3Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 3.04Å; Y165-L168 PolarHBondContact O-N 3.44Å; Y165-A169 WeakPolarHBondContact O-CB 3.44Å; Y165-A169 PolarHBondContact O-N 2.91Å; Y165-T174 HydrophobicContact CE2-CG2 4.14Å; Y165-L179 HydrophobicContact CD2-CD1 3.99Å; Y165-L179 HydrophobicContact CE2-CD1 3.64Å; Y165-L208 HydrophobicContact CD1-CD2 3.46Å; Y165-L208 VanDerWaalsContact CD1-CD2 3.46Å; Y165-L208 HydrophobicContact CD2-CD2 3.56Å; Y165-L208 HydrophobicContact CE1-CD2 4.01Å; Y165-L208 HydrophobicContact CE2-CD2 4.1Å; Y165-L208 HydrophobicContact CG-CD2 3.19Å
166S87.1Confident85.9Confident74 Ų7457.7 Ų57.752%0.51730%0.303SS..Hα-helixtrans-61.2-39.8178.9-58.80000111.7Y162 H163 S170Y162-S166 WeakPolarHBondContact O-CB 3.38Å; Y162-S166 PolarHBondContact O-N 2.84Å; Y162-S166 PolarHBondContact O-OG 3.11Å; H163-S166 PolarHBondContact O-N 3.32Å; S166-S170 PolarHBondContact O-N 3.31Å
167R84.7Confident85.9Confident77 Ų7752.7 Ų52.729%0.29128%0.278SS..Hα-helixtrans-68.4-45.5171.7-75.4-179.461.6156.8-6.4112.2P134 H163 Y164 Y165 A169 S170 Y171P134-R167 PolarHBondContact O-NH2 2.83Å; H163-R167 VanDerWaalsContact NE2-CD 3.26Å; H163-R167 WeakPolarHBondContact NE2-CD 3.46Å; H163-R167 PolarHBondContact O-N 2.91Å; Y164-R167 PolarHBondContact O-N 3.06Å; Y165-R167 VanDerWaalsContact C-N 3.3Å; Y165-R167 PolarHBondContact O-N 3.04Å; R167-A169 PolarHBondContact O-N 3.42Å; R167-S170 PolarHBondContact O-N 2.85Å; R167-S170 PolarHBondContact O-OG 2.98Å; R167-Y171 WeakPolarHBondContact O-CD2 3.24Å
168L85.7Confident86Confident11 Ų1153.4 Ų53.46%0.05828%0.282CS..Hα-helixtrans-55-41.3177.2-179.363.5000111.7A140 V146 F148 Y164 Y165 S170 Y171 R172 T174 L177 L179A140-L168 HydrophobicContact CB-CD1 3.67Å; V146-L168 HydrophobicContact CB-CD2 4.21Å; V146-L168 HydrophobicContact CG1-CD2 4.24Å; V146-L168 HydrophobicContact CG2-CD2 3.95Å; F148-L168 HydrophobicContact CE2-CD2 4.29Å; F148-L168 HydrophobicContact CZ-CD2 3.72Å; Y164-L168 WeakPolarHBondContact O-CB 3.41Å; Y164-L168 PolarHBondContact O-N 3.45Å; Y165-L168 PolarHBondContact O-N 3.44Å; L168-S170 VanDerWaalsContact C-N 3.28Å; L168-S170 PolarHBondContact O-N 3.28Å; L168-Y171 PolarHBondContact O-N 2.58Å; L168-R172 PolarHBondContact O-N 2.88Å; L168-R172 VanDerWaalsContact O-N 3.15Å; L168-T174 HydrophobicContact CD2-CG2 4.33Å; L168-T174 HydrophobicContact CG-CG2 4.14Å; L168-L177 HydrophobicContact CD1-CD2 4.2Å; L168-L177 HydrophobicContact CD2-CD2 3.89Å; L168-L177 HydrophobicContact CG-CD2 4.25Å; L168-L179 HydrophobicContact CD2-CD2 4.05Å
169A85Confident86Confident45 Ų4553.6 Ų53.637%0.37228%0.284SS..Hα-helixtrans-66.9-20.3178.100000114.7Y165 R167 T174Y165-A169 WeakPolarHBondContact O-CB 3.44Å; Y165-A169 PolarHBondContact O-N 2.91Å; R167-A169 PolarHBondContact O-N 3.42Å; A169-T174 HydrophobicContact CB-CG2 4.22Å
170S85.4Confident86.2Confident87 Ų8748.2 Ų48.261%0.60826%0.259SS*.Hα-helixtrans-83.5-16.6174.7640000114.2S166 R167 L168S166-S170 PolarHBondContact O-N 3.31Å; R167-S170 PolarHBondContact O-N 2.85Å; R167-S170 PolarHBondContact O-OG 2.98Å; L168-S170 VanDerWaalsContact C-N 3.28Å; L168-S170 PolarHBondContact O-N 3.28Å
171Y82.3Confident86.6Confident103 Ų10346.8 Ų46.840%0.40425%0.25SS..Hα-helixtrans-105.6-23.4178.7-62.2-83.9000114A136 Q137 R167 L168A136-Y171 HydrophobicContact CB-CD2 3.36Å; A136-Y171 HydrophobicContact CB-CE2 3.48Å; A136-Y171 VanDerWaalsContact CB-CE2 3.48Å; A136-Y171 HydrophobicContact CB-CG 4.04Å; Q137-Y171 HydrophobicContact CB-CD1 3.78Å; Q137-Y171 HydrophobicContact CB-CE1 4.13Å; Q137-Y171 HydrophobicContact CG-CD1 4.35Å; R167-Y171 WeakPolarHBondContact O-CD2 3.24Å; L168-Y171 PolarHBondContact O-N 2.58Å
172R83.8Confident86.8Confident62 Ų6246.8 Ų46.823%0.23425%0.25CC..SBendtrans-146.4144.5178.3179.1167.6171177.1-6.1112.3A140 V143 L168 T174A140-R172 HydrophobicContact CB-CB 4.11Å; A140-R172 WeakPolarHBondContact O-CD 3.11Å; A140-R172 PolarHBondContact O-NH1 2.95Å; V143-R172 PolarHBondContact O-NH1 2.95Å; L168-R172 PolarHBondContact O-N 2.88Å; L168-R172 VanDerWaalsContact O-N 3.15Å; R172-T174 PolarHBondContact O-N 3.07Å
173N82.1Confident87.1Confident94 Ų9443.3 Ų43.350%0.50324%0.236SC..  trans-61.3106.1169.1-179.819.5000110.8A175 D176N173-A175 PolarHBondContact O-N 2.94Å; N173-A175 VanDerWaalsContact OD1-CB 3.31Å; N173-A175 WeakPolarHBondContact OD1-CB 3.4Å; N173-A175 PolarHBondContact OD1-N 3.39Å; N173-A175 VanDerWaalsContact OD1-N 3.11Å; N173-D176 PolarHBondContact ND2-OD2 2.69Å; N173-D176 PolarHBondContact O-N 3.07Å
174T79.9Confident87.2Confident10 Ų1038.6 Ų38.66%0.06122%0.215CC..THydrogen-bonded Turntrans-73.114.2177.7540000113.8Y165 L168 A169 R172 K209Y165-T174 HydrophobicContact CE2-CG2 4.14Å; L168-T174 HydrophobicContact CD2-CG2 4.33Å; L168-T174 HydrophobicContact CG-CG2 4.14Å; A169-T174 HydrophobicContact CB-CG2 4.22Å; R172-T174 PolarHBondContact O-N 3.07Å; T174-K209 VanDerWaalsContact O-CD 3.29Å; T174-K209 WeakPolarHBondContact O-CD 3.37Å; T174-K209 PolarHBondContact O-NZ 2.89Å; T174-K209 WeakPolarHBondContact OG1-CE 3.25Å; T174-K209 PolarHBondContact OG1-NZ 3.28Å
175A77.4Confident87.2Confident68 Ų6839.8 Ų39.856%0.56222%0.221SC*.THydrogen-bonded Turntrans-85.4-30.6171.600000112.4N173 K209N173-A175 PolarHBondContact O-N 2.94Å; N173-A175 VanDerWaalsContact OD1-CB 3.31Å; N173-A175 WeakPolarHBondContact OD1-CB 3.4Å; N173-A175 PolarHBondContact OD1-N 3.39Å; N173-A175 VanDerWaalsContact OD1-N 3.11Å; A175-K209 VanDerWaalsContact N-NZ 3.17Å
176D79.4Confident86.4Confident84 Ų8440.7 Ų40.745%0.44922%0.224SC..SBendtrans-103.720.1-178.2-53.6-70.4000112.2N173N173-D176 PolarHBondContact ND2-OD2 2.69Å; N173-D176 PolarHBondContact O-N 3.07Å
177L88.2Confident85Confident8 Ų838.8 Ų38.84%0.04221%0.213CC..SBendtrans-130.6109.7-176.5179.765.5000108.6V143 D144 V146 L168 L179V143-L177 HydrophobicContact CG2-CD1 3.96Å; D144-L177 WeakPolarHBondContact O-CD1 3.49Å; V146-L177 HydrophobicContact CG2-CD2 4.16Å; L168-L177 HydrophobicContact CD1-CD2 4.2Å; L168-L177 HydrophobicContact CD2-CD2 3.89Å; L168-L177 HydrophobicContact CG-CD2 4.25Å; L177-L179 HydrophobicContact CD2-CD2 4.14Å; L177-L179 HydrophobicContact CG-CD2 4.13Å; L177-L179 PolarHBondContact O-N 3Å
178P92.1Very high83.5Confident16 Ų1642.9 Ų42.910%0.10424%0.239CC..  trans-56.6129.3171-25.734.8000112D144 A145 V146 K234 V235 V238D144-P178 WeakPolarHBondContact O-CD 3.35Å; A145-P178 WeakPolarHBondContact CA-O 3.35Å; A145-P178 HydrophobicContact CB-CB 3.93Å; A145-P178 HydrophobicContact CB-CG 4.38Å; A145-P178 WeakPolarHBondContact CB-O 3.41Å; V146-P178 PolarHBondContact N-O 3.32Å; P178-K234 HydrophobicContact CB-CB 3.77Å; P178-K234 HydrophobicContact CB-CD 4.44Å; P178-K234 HydrophobicContact CG-CB 3.92Å; P178-V235 HydrophobicContact CG-CG2 4.45Å; P178-V238 HydrophobicContact CG-CG2 3.91Å
179L92.8Very high81.8Confident13 Ų1344.8 Ų44.87%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-116.5143.2174.3-55.3179.9000109.3V146 F148 Y165 L168 L177 C211V146-L179 HydrophobicContact CB-CD2 3.94Å; V146-L179 WeakPolarHBondContact O-CA 3.22Å; F148-L179 HydrophobicContact CE2-CD1 4.42Å; F148-L179 HydrophobicContact CE2-CD2 4.08Å; Y165-L179 HydrophobicContact CD2-CD1 3.99Å; Y165-L179 HydrophobicContact CE2-CD1 3.64Å; L168-L179 HydrophobicContact CD2-CD2 4.05Å; L177-L179 HydrophobicContact CD2-CD2 4.14Å; L177-L179 HydrophobicContact CG-CD2 4.13Å; L177-L179 PolarHBondContact O-N 3Å; L179-C211 HydrophobicContact CB-CB 4.08Å; L179-C211 VanDerWaalsContact O-CB 3.32Å; L179-C211 WeakPolarHBondContact O-CB 3.29Å
180V94.9Very high80.1Confident1 Ų149.1 Ų49.11%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-134.9142.7170.8179.30000108.6V146 V147 F148 V182 Y214 V227 V231V146-V180 PolarHBondContact O-N 2.82Å; V146-V180 VanDerWaalsContact O-N 3.09Å; V147-V180 WeakPolarHBondContact CA-O 3.43Å; F148-V180 PolarHBondContact N-O 2.86Å; V180-V182 HydrophobicContact CG1-CG2 4.3Å; V180-Y214 HydrophobicContact CG1-CD2 3.74Å; V180-Y214 HydrophobicContact CG1-CE2 3.93Å; V180-V227 HydrophobicContact CG1-CG1 4.31Å; V180-V231 HydrophobicContact CB-CG2 4.03Å; V180-V231 HydrophobicContact CG2-CG2 3.54Å
181L95.4Very high78.7Confident0 Ų048.7 Ų48.70%028%0.278CS..EExtended strand (participates in β ladder)trans-112131.7178.2179.869000109.8F148 F150 V161 L204 L208 T212 Y213 Y214F148-L181 HydrophobicContact CB-CD1 4.01Å; F150-L181 HydrophobicContact CD1-CD1 3.84Å; F150-L181 HydrophobicContact CD1-CG 4.42Å; F150-L181 HydrophobicContact CE1-CD1 3.78Å; F150-L181 HydrophobicContact CE1-CD2 4.22Å; F150-L181 HydrophobicContact CE1-CG 3.88Å; V161-L181 HydrophobicContact CG1-CD1 4.03Å; L181-L204 HydrophobicContact CD1-CD2 3.84Å; L181-L204 HydrophobicContact CD1-CG 4.37Å; L181-L204 HydrophobicContact CD2-CB 4.24Å; L181-L204 HydrophobicContact CD2-CD2 3.87Å; L181-L204 HydrophobicContact CD2-CG 3.8Å; L181-L208 HydrophobicContact CB-CD1 4.38Å; L181-L208 HydrophobicContact CD1-CD1 3.94Å; L181-L208 HydrophobicContact CD2-CD1 4.33Å; L181-L208 HydrophobicContact CG-CD1 4.44Å; L181-T212 PolarHBondContact N-O 2.86Å; L181-Y213 HydrophobicContact CB-CD2 4.31Å; L181-Y213 HydrophobicContact CD2-CD2 3.85Å; L181-Y213 HydrophobicContact CD2-CE2 4.49Å; L181-Y213 HydrophobicContact CG-CD2 3.9Å; L181-Y213 HydrophobicContact CG-CE2 4.5Å; L181-Y213 WeakPolarHBondContact O-CA 3.23Å; L181-Y214 PolarHBondContact O-N 3.1Å
182V95.6Very high77.8Confident0 Ų047.4 Ų47.40%028%0.278CS..EExtended strand (participates in β ladder)trans-128.2121.9-176.7-178.80000110.5L87 V147 F148 V149 F150 V180 I184 Y214 T216 V227L87-V182 HydrophobicContact CD2-CG1 4.04Å; V147-V182 HydrophobicContact CG1-CB 4.36Å; V147-V182 HydrophobicContact CG1-CG2 3.52Å; F148-V182 PolarHBondContact O-N 2.88Å; V149-V182 WeakPolarHBondContact CA-O 3.45Å; V149-V182 HydrophobicContact CG2-CB 4.47Å; F150-V182 WeakPolarHBondContact CD1-O 3.23Å; F150-V182 PolarHBondContact N-O 3.18Å; V180-V182 HydrophobicContact CG1-CG2 4.3Å; V182-I184 HydrophobicContact CG1-CG1 4.18Å; V182-Y214 WeakPolarHBondContact CA-O 3.29Å; V182-T216 HydrophobicContact CG1-CG2 3.7Å; V182-T216 WeakPolarHBondContact CG1-OG1 3.18Å; V182-V227 HydrophobicContact CG2-CB 4.49Å; V182-V227 HydrophobicContact CG2-CG1 3.73Å; V182-V227 HydrophobicContact CG2-CG2 3.87Å
183G93.4Very high77.1Confident0 Ų049.4 Ų49.40%030%0.299CS..EExtended strand (participates in β ladder)trans-93.8131.1164.300000109.9F150 Y214 E215 T216F150-G183 CarbonylContact O-C 3.58Å; F150-G183 WeakPolarHBondContact O-CA 3.49Å; G183-Y214 PolarHBondContact N-O 3.21Å; G183-E215 CarbonylContact O-C 3.6Å; G183-E215 WeakPolarHBondContact O-CA 3.23Å; G183-T216 PolarHBondContact O-N 3.39Å; G183-T216 PolarHBondContact O-OG1 3.41Å
184I90.4Very high77.2Confident1 Ų148.9 Ų48.91%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-102.5138.4176.4-64.4-173.5000110.2S82 G83 L87 V149 F150 L152 V182 Y186 T216S82-I184 WeakPolarHBondContact O-CD1 3.36Å; G83-I184 VanDerWaalsContact O-CD1 3.27Å; G83-I184 WeakPolarHBondContact O-CD1 3.32Å; L87-I184 HydrophobicContact CB-CD1 3.71Å; L87-I184 HydrophobicContact CD2-CD1 4.24Å; L87-I184 HydrophobicContact CG-CD1 4.43Å; V149-I184 HydrophobicContact CG1-CD1 3.37Å; V149-I184 HydrophobicContact CG1-CG1 3.83Å; F150-I184 PolarHBondContact O-N 2.99Å; L152-I184 WeakPolarHBondContact CB-O 3.4Å; L152-I184 PolarHBondContact N-O 3.37Å; V182-I184 HydrophobicContact CG1-CG1 4.18Å; I184-Y186 HydrophobicContact CG2-CD2 4.41Å; I184-Y186 HydrophobicContact CG2-CE2 4.23Å; I184-T216 WeakPolarHBondContact CA-O 3.45Å
185H86.5Confident77.5Confident43 Ų4351.5 Ų51.520%0.19931%0.306CS..  trans-121.5128.5172.4-155.7-59.3000108.8L152 E153 A187 T216 C217L152-H185 HydrophobicContact CD1-CB 4.11Å; E153-H185 IonicContact OE1-ND1 3.63Å; H185-A187 PolarHBondContact CE1-O 2.87Å; H185-A187 PolarHBondContact ND1-O 2.77Å; H185-T216 PolarHBondContact N-O 2.64Å; H185-C217 WeakPolarHBondContact O-CA 3.39Å; H185-C217 WeakPolarHBondContact O-CB 3.39Å; H185-C217 PolarHBondContact O-SG 2.75Å
186Y72Confident78.1Confident57 Ų5748.2 Ų48.222%0.22428%0.279CS..  trans-84.8-47.8-174.4-79.8-87.1000113G83 Y96 E153 I184 T219G83-Y186 WeakPolarHBondContact CA-OH 3.35Å; Y96-Y186 HydrophobicContact CE2-CD1 4.48Å; Y96-Y186 WeakPolarHBondContact OH-CD1 3.33Å; E153-Y186 PolarHBondContact OE1-N 3.22Å; I184-Y186 HydrophobicContact CG2-CD2 4.41Å; I184-Y186 HydrophobicContact CG2-CE2 4.23Å; Y186-T219 WeakPolarHBondContact O-CB 3.28Å; Y186-T219 PolarHBondContact O-OG1 3.21Å
187A58.6Low78.5Confident35 Ų3548.5 Ų48.529%0.28928%0.28SS..  trans-152.7151.5173.300000111.8H185 S189H185-A187 PolarHBondContact CE1-O 2.87Å; H185-A187 PolarHBondContact ND1-O 2.77Å; A187-S189 PolarHBondContact O-N 3.37Å
188I51.8Low78.5Confident162 Ų16250.6 Ų50.683%0.83129%0.292SS*.  trans-78.861.7170.5-45.8178000108.7
189S49.7Very low78.4Confident51 Ų5153.9 Ų53.936%0.35732%0.315SS..  trans-104.8139.2-179-1800000110.2A187 S191 N192A187-S189 PolarHBondContact O-N 3.37Å; S189-S191 WeakPolarHBondContact CB-OG 3.22Å; S189-S191 PolarHBondContact O-N 3.45Å; S189-S191 VanDerWaalsContact O-N 3.1Å; S189-S191 WeakPolarHBondContact OG-CB 3.41Å; S189-S191 PolarHBondContact OG-N 2.89Å; S189-S191 PolarHBondContact OG-OG 2.98Å; S189-N192 PolarHBondContact O-N 3.16Å
190S51.1Low78.4Confident136 Ų13657 Ų5795%0.95133%0.326SS*.THydrogen-bonded Turntrans-69.41.1171.560.40000114
191S56Low78.2Confident79 Ų7956.9 Ų56.955%0.55233%0.326SS*.THydrogen-bonded Turntrans-82.1-31.717661.90000113.6S189 P193S189-S191 WeakPolarHBondContact CB-OG 3.22Å; S189-S191 PolarHBondContact O-N 3.45Å; S189-S191 VanDerWaalsContact O-N 3.1Å; S189-S191 WeakPolarHBondContact OG-CB 3.41Å; S189-S191 PolarHBondContact OG-N 2.89Å; S189-S191 PolarHBondContact OG-OG 2.98Å; S191-P193 WeakPolarHBondContact O-CD 3.47Å
192N61.9Low78Confident76 Ų7663.5 Ų63.541%0.40635%0.351SS..SBendtrans-120.592.5-171.2-66.634.8000108.7E153 S189E153-N192 HydrophobicContact CG-CB 4.45Å; E153-N192 VanDerWaalsContact OE2-CB 3.32Å; E153-N192 WeakPolarHBondContact OE2-CB 3.41Å; E153-N192 PolarHBondContact OE2-ND2 2.9Å; S189-N192 PolarHBondContact O-N 3.16Å
193P70Confident77.8Confident103 Ų10369.1 Ų69.167%0.66938%0.375SS*.  trans-69.9134.6178.228.8-33.5000110.7S191 V195S191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-V195 PolarHBondContact O-N 3.34Å
194R84.3Confident77.7Confident83 Ų8369.1 Ų69.131%0.31338%0.375SS..  trans-57.3128.2172176.9175.8178.2145.97.3110.6L152 I196 D198 E215L152-R194 HydrophobicContact CB-CG 4.5Å; R194-I196 PolarHBondContact NE-O 3.42Å; R194-I196 PolarHBondContact NH2-O 2.89Å; R194-D198 VanDerWaalsContact NH2-N 3.14Å; R194-E215 IonicContact CZ-OE1 2.75Å; R194-E215 IonicContact CZ-OE2 2.77Å; R194-E215 IonicContact NH1-OE1 2.65Å; R194-E215 PolarHBondContact NH1-OE1 3.09Å; R194-E215 IonicContact NH1-OE2 3.31Å; R194-E215 PolarHBondContact NH1-OE2 3.14Å; R194-E215 IonicContact NH2-OE1 2.92Å; R194-E215 PolarHBondContact NH2-OE1 2.87Å
195V86.3Confident77.7Confident65 Ų6569.6 Ų69.639%0.39438%0.378SS..  trans-100.2-27.1-177.6-176.80000112.1L152 E153 E155 P193 R200L152-V195 PolarHBondContact O-N 2.86Å; E153-V195 WeakPolarHBondContact O-CG2 3.39Å; E155-V195 HydrophobicContact CB-CG1 4.13Å; P193-V195 PolarHBondContact O-N 3.34Å; V195-R200 PolarHBondContact O-NH1 2.97Å; V195-R200 VanDerWaalsContact O-NH1 3.11Å
196I89.4Confident77.9Confident0 Ų071.5 Ų71.50%039%0.39CS..SBendtrans-113.4106.3-175.3-61.8131.4000111.1F150 S151 L152 F158 R194 R200 A201F150-I196 HydrophobicContact CD2-CD1 4.06Å; F150-I196 HydrophobicContact CE2-CB 4.35Å; F150-I196 HydrophobicContact CE2-CD1 4.17Å; F150-I196 HydrophobicContact CE2-CG2 3.9Å; F150-I196 HydrophobicContact CZ-CG2 4.46Å; S151-I196 WeakPolarHBondContact O-CD1 3.48Å; L152-I196 HydrophobicContact CD2-CB 4.3Å; L152-I196 WeakPolarHBondContact CD2-O 2.95Å; L152-I196 PolarHBondContact O-N 3.08Å; F158-I196 HydrophobicContact CB-CD1 3.64Å; F158-I196 HydrophobicContact CB-CG1 4.06Å; F158-I196 HydrophobicContact CD1-CG1 4.39Å; F158-I196 HydrophobicContact CD2-CG1 4.46Å; F158-I196 HydrophobicContact CD2-CG2 3.84Å; F158-I196 HydrophobicContact CE2-CG2 3.83Å; F158-I196 HydrophobicContact CG-CD1 4.14Å; F158-I196 HydrophobicContact CG-CG1 4.07Å; F158-I196 HydrophobicContact CG-CG2 4.19Å; F158-I196 HydrophobicContact CZ-CG2 4.21Å; R194-I196 PolarHBondContact NE-O 3.42Å; R194-I196 PolarHBondContact NH2-O 2.89Å; I196-R200 HydrophobicContact CG2-CB 4.21Å; I196-A201 HydrophobicContact CG2-CB 4.44Å
197D87.9Confident78.6Confident89 Ų8973.1 Ų73.148%0.47640%0.399SS..  trans-63.5151.5175.6-58.4-60.7000113.3S199 R200 A201D197-S199 WeakPolarHBondContact CB-OG 3.22Å; D197-S199 PolarHBondContact O-N 3.31Å; D197-R200 HydrophobicContact CB-CG 4.25Å; D197-R200 WeakPolarHBondContact O-CB 2.95Å; D197-R200 PolarHBondContact O-N 3.17Å; D197-A201 PolarHBondContact O-N 2.78Å
198D89.1Confident79.9Confident52 Ų5271.5 Ų71.528%0.27839%0.386SS..Hα-helixtrans-56.8-33.3174.417551.2000112R194 R200 A201 R202R194-D198 VanDerWaalsContact NH2-N 3.14Å; D198-R200 PolarHBondContact O-N 3.04Å; D198-A201 PolarHBondContact O-N 3.42Å; D198-R202 VanDerWaalsContact CG-NH2 3.35Å; D198-R202 WeakPolarHBondContact O-CB 3.39Å; D198-R202 WeakPolarHBondContact O-CG 3.5Å; D198-R202 PolarHBondContact O-N 3.38Å; D198-R202 IonicContact OD1-CZ 3.28Å; D198-R202 IonicContact OD1-NE 3.35Å; D198-R202 PolarHBondContact OD1-NE 3.38Å; D198-R202 IonicContact OD1-NH2 3.03Å; D198-R202 PolarHBondContact OD1-NH2 3.23Å; D198-R202 IonicContact OD2-CZ 3.4Å; D198-R202 IonicContact OD2-NE 3.22Å; D198-R202 PolarHBondContact OD2-NE 3.28Å; D198-R202 IonicContact OD2-NH2 2.78Å; D198-R202 PolarHBondContact OD2-NH2 3Å
199S89.9Confident81.3Confident86 Ų8668.8 Ų68.860%0.60137%0.368SS*.Hα-helixtrans-61.8-41173.459.50000112.8D197 K203D197-S199 WeakPolarHBondContact CB-OG 3.22Å; D197-S199 PolarHBondContact O-N 3.31Å; S199-K203 WeakPolarHBondContact O-CB 3.14Å; S199-K203 PolarHBondContact O-N 3.21Å; S199-K203 VanDerWaalsContact O-N 3.1Å
200R92.1Very high82.8Confident77 Ų7775.8 Ų75.829%0.29139%0.387SS..Hα-helixtrans-69.3-44.1176.4-61.1178.165.8-149.6-6.8110.6E155 F158 V195 I196 D197 D198 K203 L204E155-R200 IonicContact OE1-CZ 3.18Å; E155-R200 IonicContact OE1-NH2 2.85Å; E155-R200 PolarHBondContact OE1-NH2 3.02Å; E155-R200 IonicContact OE2-CZ 2.75Å; E155-R200 IonicContact OE2-NH1 3.21Å; E155-R200 PolarHBondContact OE2-NH1 3.14Å; E155-R200 IonicContact OE2-NH2 2.81Å; E155-R200 PolarHBondContact OE2-NH2 3.3Å; F158-R200 HydrophobicContact CZ-CB 4.25Å; V195-R200 PolarHBondContact O-NH1 2.97Å; V195-R200 VanDerWaalsContact O-NH1 3.11Å; I196-R200 HydrophobicContact CG2-CB 4.21Å; D197-R200 HydrophobicContact CB-CG 4.25Å; D197-R200 WeakPolarHBondContact O-CB 2.95Å; D197-R200 PolarHBondContact O-N 3.17Å; D198-R200 PolarHBondContact O-N 3.04Å; R200-K203 WeakPolarHBondContact O-CB 3.46Å; R200-K203 PolarHBondContact O-N 3.17Å; R200-L204 PolarHBondContact O-N 3.45Å; R200-L204 VanDerWaalsContact O-N 3.07Å
201A91.1Very high84.6Confident0 Ų070 Ų700%035%0.346CS..Hα-helixtrans-66.2-42.5179.800000113.1F150 I196 D197 D198 K203 L204 S205 Y213F150-A201 HydrophobicContact CZ-CB 3.97Å; I196-A201 HydrophobicContact CG2-CB 4.44Å; D197-A201 PolarHBondContact O-N 2.78Å; D198-A201 PolarHBondContact O-N 3.42Å; A201-K203 VanDerWaalsContact C-N 3.32Å; A201-K203 PolarHBondContact O-N 2.8Å; A201-L204 PolarHBondContact O-N 3.43Å; A201-S205 PolarHBondContact O-N 2.92Å; A201-Y213 HydrophobicContact CB-CD1 4.21Å; A201-Y213 HydrophobicContact CB-CD2 4.34Å; A201-Y213 HydrophobicContact CB-CE1 3.57Å; A201-Y213 HydrophobicContact CB-CE2 3.74Å; A201-Y213 WeakPolarHBondContact CB-OH 3.35Å
202R91.6Very high86.4Confident139 Ų13968.4 Ų68.453%0.52533%0.333SS..Hα-helixtrans-67.6-28.4172.4-68.5-174.3-152.2-115.13.2113.1D198 S205 N206 Y213D198-R202 VanDerWaalsContact CG-NH2 3.35Å; D198-R202 WeakPolarHBondContact O-CB 3.39Å; D198-R202 WeakPolarHBondContact O-CG 3.5Å; D198-R202 PolarHBondContact O-N 3.38Å; D198-R202 IonicContact OD1-CZ 3.28Å; D198-R202 IonicContact OD1-NE 3.35Å; D198-R202 PolarHBondContact OD1-NE 3.38Å; D198-R202 IonicContact OD1-NH2 3.03Å; D198-R202 PolarHBondContact OD1-NH2 3.23Å; D198-R202 IonicContact OD2-CZ 3.4Å; D198-R202 IonicContact OD2-NE 3.22Å; D198-R202 PolarHBondContact OD2-NE 3.28Å; D198-R202 IonicContact OD2-NH2 2.78Å; D198-R202 PolarHBondContact OD2-NH2 3Å; R202-S205 PolarHBondContact O-N 3.28Å; R202-N206 PolarHBondContact O-N 2.91Å; R202-N206 PolarHBondContact O-ND2 2.74Å; R202-Y213 HydrophobicContact CG-CD1 4.15Å
203K91.8Very high87.9Confident118 Ų11866.4 Ų66.451%0.51332%0.32SS..Hα-helixtrans-64.1-50.8171.4-174.7178.1177.1-70.50110.3S199 R200 A201 S205 N206 E207S199-K203 WeakPolarHBondContact O-CB 3.14Å; S199-K203 PolarHBondContact O-N 3.21Å; S199-K203 VanDerWaalsContact O-N 3.1Å; R200-K203 WeakPolarHBondContact O-CB 3.46Å; R200-K203 PolarHBondContact O-N 3.17Å; A201-K203 VanDerWaalsContact C-N 3.32Å; A201-K203 PolarHBondContact O-N 2.8Å; K203-S205 VanDerWaalsContact C-N 3.33Å; K203-S205 PolarHBondContact O-N 2.69Å; K203-N206 PolarHBondContact O-N 2.96Å; K203-E207 VanDerWaalsContact CE-OE1 3.3Å; K203-E207 WeakPolarHBondContact CE-OE1 3.45Å; K203-E207 IonicContact NZ-OE1 2.74Å; K203-E207 PolarHBondContact NZ-OE1 3.13Å; K203-E207 IonicContact NZ-OE2 2.6Å; K203-E207 PolarHBondContact NZ-OE2 3.33Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 2.74Å
204L89.6Confident89.1Confident0 Ų063.9 Ų63.90%030%0.298CS..Hα-helixtrans-55.3-46.5172.9170.960.7000111.2F158 V161 Y162 L181 R200 A201 N206 E207 L208F158-L204 HydrophobicContact CD2-CD2 3.84Å; F158-L204 HydrophobicContact CE2-CB 3.98Å; F158-L204 HydrophobicContact CE2-CD2 3.39Å; F158-L204 HydrophobicContact CE2-CG 4.33Å; F158-L204 HydrophobicContact CZ-CB 3.93Å; F158-L204 HydrophobicContact CZ-CD2 3.97Å; V161-L204 HydrophobicContact CB-CD2 4.39Å; V161-L204 HydrophobicContact CG1-CD1 4.43Å; V161-L204 HydrophobicContact CG1-CD2 3.99Å; Y162-L204 HydrophobicContact CD1-CD1 3.88Å; Y162-L204 HydrophobicContact CD2-CD1 4.01Å; Y162-L204 HydrophobicContact CE1-CD1 3.54Å; Y162-L204 HydrophobicContact CE2-CB 4.47Å; Y162-L204 HydrophobicContact CE2-CD1 3.69Å; Y162-L204 HydrophobicContact CE2-CD2 4.32Å; Y162-L204 HydrophobicContact CE2-CG 4.37Å; Y162-L204 HydrophobicContact CG-CD1 4.11Å; Y162-L204 VanDerWaalsContact CZ-CD1 3.45Å; L181-L204 HydrophobicContact CD1-CD2 3.84Å; L181-L204 HydrophobicContact CD1-CG 4.37Å; L181-L204 HydrophobicContact CD2-CB 4.24Å; L181-L204 HydrophobicContact CD2-CD2 3.87Å; L181-L204 HydrophobicContact CD2-CG 3.8Å; R200-L204 PolarHBondContact O-N 3.45Å; R200-L204 VanDerWaalsContact O-N 3.07Å; A201-L204 PolarHBondContact O-N 3.43Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 2.91Å; L204-E207 PolarHBondContact O-N 2.89Å; L204-E207 VanDerWaalsContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD1 3.73Å; L204-L208 HydrophobicContact CD1-CD2 4.1Å; L204-L208 HydrophobicContact CD1-CG 3.63Å; L204-L208 HydrophobicContact CD2-CD1 4.49Å; L204-L208 HydrophobicContact CG-CD1 3.85Å; L204-L208 HydrophobicContact CG-CG 4.16Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.11Å
205S91.8Very high89.6Confident11 Ų1162.6 Ų62.68%0.07730%0.295CS..Hα-helixtrans-62.7-34.2-179.4117.30000113.3A201 R202 K203 R210 C211A201-S205 PolarHBondContact O-N 2.92Å; R202-S205 PolarHBondContact O-N 3.28Å; K203-S205 VanDerWaalsContact C-N 3.33Å; K203-S205 PolarHBondContact O-N 2.69Å; S205-R210 CarbonylContact O-C 3.34Å; S205-R210 WeakPolarHBondContact O-CA 3.24Å; S205-R210 PolarHBondContact O-N 2.81Å; S205-R210 VanDerWaalsContact O-N 3.09Å; S205-C211 PolarHBondContact O-N 3.16Å; S205-C211 PolarHBondContact OG-O 3.33Å
206N89.6Confident89.8Confident82 Ų8259.6 Ų59.644%0.43928%0.277SS..Hα-helixtrans-69.3-39.6172.6-80.8-80.3000112.4R202 K203 L204 K209 R210R202-N206 PolarHBondContact O-N 2.91Å; R202-N206 PolarHBondContact O-ND2 2.74Å; K203-N206 PolarHBondContact O-N 2.96Å; L204-N206 VanDerWaalsContact C-N 3.31Å; L204-N206 PolarHBondContact O-N 2.91Å; N206-K209 PolarHBondContact O-N 2.86Å; N206-R210 PolarHBondContact O-N 2.76Å; N206-R210 VanDerWaalsContact O-N 3.07Å; N206-R210 PolarHBondContact OD1-NE 3.31Å
207E87.2Confident89.8Confident91 Ų9160 Ų6043%0.42528%0.28SS..Hα-helixtrans-68.7-33.7177.2-71170.8-176.300112.1Y162 K203 L204 K209Y162-E207 PolarHBondContact OH-OE2 3.4Å; K203-E207 VanDerWaalsContact CE-OE1 3.3Å; K203-E207 WeakPolarHBondContact CE-OE1 3.45Å; K203-E207 IonicContact NZ-OE1 2.74Å; K203-E207 PolarHBondContact NZ-OE1 3.13Å; K203-E207 IonicContact NZ-OE2 2.6Å; K203-E207 PolarHBondContact NZ-OE2 3.33Å; K203-E207 WeakPolarHBondContact O-CG 3.29Å; K203-E207 PolarHBondContact O-N 2.74Å; L204-E207 PolarHBondContact O-N 2.89Å; L204-E207 VanDerWaalsContact O-N 3.1Å; E207-K209 PolarHBondContact O-N 2.67Å
208L86.3Confident89.5Confident2 Ų255.9 Ų55.91%0.0126%0.258CS..THydrogen-bonded Turntrans-7448.2168.3-63.9-180000112.7F148 V161 Y165 L181 L204 R210 C211F148-L208 HydrophobicContact CD2-CD1 4.29Å; V161-L208 HydrophobicContact CG1-CD1 4.15Å; Y165-L208 HydrophobicContact CD1-CD2 3.46Å; Y165-L208 VanDerWaalsContact CD1-CD2 3.46Å; Y165-L208 HydrophobicContact CD2-CD2 3.56Å; Y165-L208 HydrophobicContact CE1-CD2 4.01Å; Y165-L208 HydrophobicContact CE2-CD2 4.1Å; Y165-L208 HydrophobicContact CG-CD2 3.19Å; L181-L208 HydrophobicContact CB-CD1 4.38Å; L181-L208 HydrophobicContact CD1-CD1 3.94Å; L181-L208 HydrophobicContact CD2-CD1 4.33Å; L181-L208 HydrophobicContact CG-CD1 4.44Å; L204-L208 HydrophobicContact CD1-CD1 3.73Å; L204-L208 HydrophobicContact CD1-CD2 4.1Å; L204-L208 HydrophobicContact CD1-CG 3.63Å; L204-L208 HydrophobicContact CD2-CD1 4.49Å; L204-L208 HydrophobicContact CG-CD1 3.85Å; L204-L208 HydrophobicContact CG-CG 4.16Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.11Å; L208-R210 PolarHBondContact O-N 2.72Å; L208-C211 HydrophobicContact CB-CB 4.49Å; L208-C211 WeakPolarHBondContact O-CB 3.21Å; L208-C211 PolarHBondContact O-N 2.92Å
209K80.8Confident89.1Confident104 Ų10455 Ų5545%0.45225%0.254SS..THydrogen-bonded Turntrans55.231.4-179.8-70179.6166.6176.90114.6T174 A175 N206 E207T174-K209 VanDerWaalsContact O-CD 3.29Å; T174-K209 WeakPolarHBondContact O-CD 3.37Å; T174-K209 PolarHBondContact O-NZ 2.89Å; T174-K209 WeakPolarHBondContact OG1-CE 3.25Å; T174-K209 PolarHBondContact OG1-NZ 3.28Å; A175-K209 VanDerWaalsContact N-NZ 3.17Å; N206-K209 PolarHBondContact O-N 2.86Å; E207-K209 PolarHBondContact O-N 2.67Å
210R81.3Confident88.8Confident198 Ų19858.4 Ų58.475%0.74726%0.255SS*.THydrogen-bonded Turntrans61.542.8-179.4-45.2178.776.4-170.42.4112.4S205 N206 L208S205-R210 CarbonylContact O-C 3.34Å; S205-R210 WeakPolarHBondContact O-CA 3.24Å; S205-R210 PolarHBondContact O-N 2.81Å; S205-R210 VanDerWaalsContact O-N 3.09Å; N206-R210 PolarHBondContact O-N 2.76Å; N206-R210 VanDerWaalsContact O-N 3.07Å; N206-R210 PolarHBondContact OD1-NE 3.31Å; L208-R210 PolarHBondContact O-N 2.72Å
211C88.5Confident88.3Confident14 Ų1456 Ų5610%0.09526%0.255CS..  trans-63157.4172.769.10000111.7L179 S205 L208L179-C211 HydrophobicContact CB-CB 4.08Å; L179-C211 VanDerWaalsContact O-CB 3.32Å; L179-C211 WeakPolarHBondContact O-CB 3.29Å; S205-C211 PolarHBondContact O-N 3.16Å; S205-C211 PolarHBondContact OG-O 3.33Å; L208-C211 HydrophobicContact CB-CB 4.49Å; L208-C211 WeakPolarHBondContact O-CB 3.21Å; L208-C211 PolarHBondContact O-N 2.92Å
212T93.1Very high88.2Confident46 Ų4660.5 Ų60.528%0.28228%0.278SS..EExtended strand (participates in β ladder)trans-68.3136.2171.139.90000109.7L181 D230 K234L181-T212 PolarHBondContact N-O 2.86Å; T212-D230 PolarHBondContact OG1-OD2 3.48Å; T212-K234 VanDerWaalsContact CG2-NZ 3.31Å; T212-K234 PolarHBondContact OG1-NZ 3.24Å
213Y95.1Very high88.2Confident34 Ų3455.5 Ų55.513%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-107.2133.2172.9173.7-124.3000109.8F150 L181 A201 R202 E215F150-Y213 AromaticContact CE1-CE2 3.94Å; F150-Y213 HydrophobicContact CE1-CE2 3.94Å; F150-Y213 AromaticContact CZ-CE2 3.83Å; F150-Y213 HydrophobicContact CZ-CE2 3.83Å; L181-Y213 HydrophobicContact CB-CD2 4.31Å; L181-Y213 HydrophobicContact CD2-CD2 3.85Å; L181-Y213 HydrophobicContact CD2-CE2 4.49Å; L181-Y213 HydrophobicContact CG-CD2 3.9Å; L181-Y213 HydrophobicContact CG-CE2 4.5Å; L181-Y213 WeakPolarHBondContact O-CA 3.23Å; A201-Y213 HydrophobicContact CB-CD1 4.21Å; A201-Y213 HydrophobicContact CB-CD2 4.34Å; A201-Y213 HydrophobicContact CB-CE1 3.57Å; A201-Y213 HydrophobicContact CB-CE2 3.74Å; A201-Y213 WeakPolarHBondContact CB-OH 3.35Å; R202-Y213 HydrophobicContact CG-CD1 4.15Å; Y213-E215 HydrophobicContact CE1-CG 3.86Å; Y213-E215 VanDerWaalsContact OH-CG 3.24Å; Y213-E215 WeakPolarHBondContact OH-CG 3.34Å; Y213-E215 PolarHBondContact OH-OE1 3.44Å
214Y95Very high88.1Confident51 Ų5150.1 Ų50.120%0.224%0.239CC..EExtended strand (participates in β ladder)trans-127.9132.6172.5-64.2-79.2000111V180 L181 V182 G183 V227 D230V180-Y214 HydrophobicContact CG1-CD2 3.74Å; V180-Y214 HydrophobicContact CG1-CE2 3.93Å; L181-Y214 PolarHBondContact O-N 3.1Å; V182-Y214 WeakPolarHBondContact CA-O 3.29Å; G183-Y214 PolarHBondContact N-O 3.21Å; Y214-V227 HydrophobicContact CD2-CG2 3.86Å; Y214-V227 HydrophobicContact CG-CG2 3.95Å; Y214-D230 HydrophobicContact CE2-CB 4.3Å; Y214-D230 WeakPolarHBondContact CE2-OD2 3.23Å; Y214-D230 PolarHBondContact OH-OD2 3.46Å
215E93.1Very high88.3Confident56 Ų5654.6 Ų54.626%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-84.9131.1159.2-66.9-172.6-173.700108.9L152 G183 R194 Y213 N223L152-E215 HydrophobicContact CD1-CG 4.19Å; G183-E215 CarbonylContact O-C 3.6Å; G183-E215 WeakPolarHBondContact O-CA 3.23Å; R194-E215 IonicContact CZ-OE1 2.75Å; R194-E215 IonicContact CZ-OE2 2.77Å; R194-E215 IonicContact NH1-OE1 2.65Å; R194-E215 PolarHBondContact NH1-OE1 3.09Å; R194-E215 IonicContact NH1-OE2 3.31Å; R194-E215 PolarHBondContact NH1-OE2 3.14Å; R194-E215 IonicContact NH2-OE1 2.92Å; R194-E215 PolarHBondContact NH2-OE1 2.87Å; Y213-E215 HydrophobicContact CE1-CG 3.86Å; Y213-E215 VanDerWaalsContact OH-CG 3.24Å; Y213-E215 WeakPolarHBondContact OH-CG 3.34Å; Y213-E215 PolarHBondContact OH-OE1 3.44Å; E215-N223 WeakPolarHBondContact O-CB 3.17Å; E215-N223 PolarHBondContact O-ND2 2.97Å
216T91.5Very high88.3Confident1 Ų161.7 Ų61.71%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-130.8158.6-177.759.40000110.7L87 V182 G183 I184 H185 L222 N223 V227L87-T216 HydrophobicContact CD1-CG2 4.39Å; V182-T216 HydrophobicContact CG1-CG2 3.7Å; V182-T216 WeakPolarHBondContact CG1-OG1 3.18Å; G183-T216 PolarHBondContact O-N 3.39Å; G183-T216 PolarHBondContact O-OG1 3.41Å; I184-T216 WeakPolarHBondContact CA-O 3.45Å; H185-T216 PolarHBondContact N-O 2.64Å; T216-L222 VanDerWaalsContact CA-O 3.23Å; T216-L222 WeakPolarHBondContact CA-O 3.31Å; T216-L222 WeakPolarHBondContact CB-O 3.26Å; T216-N223 HydrophobicContact CG2-CB 3.86Å; T216-V227 HydrophobicContact CG2-CG2 3.79Å
217C88.9Confident88.6Confident10 Ų1057.8 Ų57.87%0.06826%0.264CS..BIsolated β-bridgetrans-138.9113.8173.9177.10000109H185 T219 G221 L222H185-C217 WeakPolarHBondContact O-CA 3.39Å; H185-C217 WeakPolarHBondContact O-CB 3.39Å; H185-C217 PolarHBondContact O-SG 2.75Å; C217-T219 VanDerWaalsContact C-N 3.3Å; C217-T219 PolarHBondContact O-N 2.77Å; C217-G221 CarbonylContact O-C 3.53Å; C217-G221 WeakPolarHBondContact O-CA 3.41Å; C217-G221 PolarHBondContact O-N 3.25Å; C217-L222 HydrophobicContact CB-CB 3.92Å; C217-L222 PolarHBondContact N-O 3.18Å; C217-L222 PolarHBondContact O-N 3.07Å; C217-L222 VanDerWaalsContact O-N 3.09Å
218A82.1Confident88.9Confident1 Ų153.5 Ų53.51%0.00824%0.244CC..THydrogen-bonded Turntrans-64.3-36.3-179.100000111.6A86 R90 Y96 Y220A86-A218 HydrophobicContact CB-CB 4.09Å; R90-A218 HydrophobicContact CB-CB 4.39Å; R90-A218 VanDerWaalsContact CD-O 3.26Å; R90-A218 WeakPolarHBondContact CD-O 3.25Å; R90-A218 VanDerWaalsContact CG-O 3.31Å; R90-A218 WeakPolarHBondContact CG-O 3.32Å; R90-A218 PolarHBondContact NH1-O 2.71Å; Y96-A218 HydrophobicContact CD2-CB 3.67Å; Y96-A218 HydrophobicContact CE2-CB 3.89Å; A218-Y220 PolarHBondContact O-N 2.95Å
219T80.8Confident89.3Confident34 Ų3455.9 Ų55.921%0.20926%0.255CS..THydrogen-bonded Turntrans-58.2-41.8-179.7-48.30000113.7R90 Y96 Y186 C217R90-T219 VanDerWaalsContact NH1-C 3.27Å; R90-T219 PolarHBondContact NH1-O 3.08Å; Y96-T219 HydrophobicContact CD1-CG2 4.05Å; Y96-T219 HydrophobicContact CE1-CG2 4.18Å; Y186-T219 WeakPolarHBondContact O-CB 3.28Å; Y186-T219 PolarHBondContact O-OG1 3.21Å; C217-T219 VanDerWaalsContact C-N 3.3Å; C217-T219 PolarHBondContact O-N 2.77Å
220Y82.7Confident90Very high158 Ų15852 Ų5262%0.6224%0.239SC*.THydrogen-bonded Turntrans-111.7-0.5-179-52.7-64.5000114.1A218 L222A218-Y220 PolarHBondContact O-N 2.95Å; Y220-L222 VanDerWaalsContact C-N 3.34Å
221G83.2Confident90.6Very high27 Ų2742.6 Ų42.628%0.27820%0.203SC..THydrogen-bonded Turntrans73.917.7-178.600000114.9C217 N223C217-G221 CarbonylContact O-C 3.53Å; C217-G221 WeakPolarHBondContact O-CA 3.41Å; C217-G221 PolarHBondContact O-N 3.25Å; G221-N223 PolarHBondContact O-N 2.95Å
222L89.2Confident90.9Very high94 Ų9441.9 Ų41.949%0.49220%0.199SC..BIsolated β-bridgetrans-61.1126.1-178179.464000110.6T216 C217 Y220 V224T216-L222 VanDerWaalsContact CA-O 3.23Å; T216-L222 WeakPolarHBondContact CA-O 3.31Å; T216-L222 WeakPolarHBondContact CB-O 3.26Å; C217-L222 HydrophobicContact CB-CB 3.92Å; C217-L222 PolarHBondContact N-O 3.18Å; C217-L222 PolarHBondContact O-N 3.07Å; C217-L222 VanDerWaalsContact O-N 3.09Å; Y220-L222 VanDerWaalsContact C-N 3.34Å; L222-V224 PolarHBondContact O-N 2.86Å
223N90.3Very high90.9Very high33 Ų3344 Ų4418%0.17621%0.206CC..SBendtrans57.4-4.7177.9-68.2-33.7000117.3E215 T216 G221 E225 R226 V227E215-N223 WeakPolarHBondContact O-CB 3.17Å; E215-N223 PolarHBondContact O-ND2 2.97Å; T216-N223 HydrophobicContact CG2-CB 3.86Å; G221-N223 PolarHBondContact O-N 2.95Å; N223-E225 PolarHBondContact O-N 2.9Å; N223-R226 WeakPolarHBondContact O-CA 3.49Å; N223-R226 WeakPolarHBondContact O-CB 3.48Å; N223-R226 PolarHBondContact O-N 2.89Å; N223-R226 WeakPolarHBondContact OD1-CD 3.41Å; N223-R226 PolarHBondContact OD1-NH1 3.31Å; N223-V227 PolarHBondContact O-N 3.36Å; N223-V227 VanDerWaalsContact O-N 3.16Å
224V91Very high90.8Very high5 Ų545 Ų453%0.0321%0.211CC..Hα-helixtrans-51.5-56.6-175.6-179.90000112L87 R90 Y91 L222 R226 V227 F228L87-V224 HydrophobicContact CD1-CB 4.2Å; L87-V224 HydrophobicContact CD1-CG1 3.84Å; L87-V224 HydrophobicContact CD1-CG2 3.78Å; R90-V224 HydrophobicContact CG-CG1 4.46Å; R90-V224 HydrophobicContact CG-CG2 4.23Å; Y91-V224 HydrophobicContact CD2-CG1 4.38Å; L222-V224 PolarHBondContact O-N 2.86Å; V224-R226 PolarHBondContact O-N 3.03Å; V224-V227 PolarHBondContact O-N 3.36Å; V224-F228 HydrophobicContact CG1-CE2 4.45Å; V224-F228 WeakPolarHBondContact O-CD2 3.46Å
225E92.1Very high90.7Very high95 Ų9542.7 Ų42.744%0.44420%0.202SC..Hα-helixtrans-60.4-31.2178.6-163.266.7-149.200112.8Y91 K114 N223 Q229Y91-E225 WeakPolarHBondContact CD2-OE2 3.39Å; Y91-E225 WeakPolarHBondContact CE2-OE1 3.36Å; Y91-E225 VanDerWaalsContact CE2-OE2 3.25Å; Y91-E225 WeakPolarHBondContact CE2-OE2 3.22Å; K114-E225 IonicContact NZ-OE2 3.7Å; N223-E225 PolarHBondContact O-N 2.9Å; E225-Q229 WeakPolarHBondContact O-CB 3.27Å; E225-Q229 PolarHBondContact O-N 2.64Å; E225-Q229 VanDerWaalsContact O-N 3.08Å
226R92.8Very high90.7Very high160 Ų16040.5 Ų40.560%0.60419%0.192SC*.Hα-helixtrans-69.6-36.2-179.9-64.4179.6175159.3-8.6112N223 V224 D230N223-R226 WeakPolarHBondContact O-CA 3.49Å; N223-R226 WeakPolarHBondContact O-CB 3.48Å; N223-R226 PolarHBondContact O-N 2.89Å; N223-R226 WeakPolarHBondContact OD1-CD 3.41Å; N223-R226 PolarHBondContact OD1-NH1 3.31Å; V224-R226 PolarHBondContact O-N 3.03Å; R226-D230 VanDerWaalsContact O-CB 3.28Å; R226-D230 WeakPolarHBondContact O-CB 3.34Å; R226-D230 PolarHBondContact O-N 2.94Å
227V94.8Very high90.6Very high0 Ų043.1 Ų43.10%021%0.214CC..Hα-helixtrans-59.7-55.8176.5173.20000109.8V147 V180 V182 Y214 T216 N223 V224 Q229 D230 V231V147-V227 HydrophobicContact CG1-CG1 4.06Å; V147-V227 HydrophobicContact CG2-CG1 4.45Å; V180-V227 HydrophobicContact CG1-CG1 4.31Å; V182-V227 HydrophobicContact CG2-CB 4.49Å; V182-V227 HydrophobicContact CG2-CG1 3.73Å; V182-V227 HydrophobicContact CG2-CG2 3.87Å; Y214-V227 HydrophobicContact CD2-CG2 3.86Å; Y214-V227 HydrophobicContact CG-CG2 3.95Å; T216-V227 HydrophobicContact CG2-CG2 3.79Å; N223-V227 PolarHBondContact O-N 3.36Å; N223-V227 VanDerWaalsContact O-N 3.16Å; V224-V227 PolarHBondContact O-N 3.36Å; V227-Q229 VanDerWaalsContact C-N 3.33Å; V227-Q229 PolarHBondContact O-N 3.26Å; V227-D230 PolarHBondContact O-N 3.22Å; V227-V231 HydrophobicContact CG1-CG2 4.48Å; V227-V231 WeakPolarHBondContact O-CG2 3.23Å; V227-V231 PolarHBondContact O-N 3.28Å
228F94.9Very high90.6Very high1 Ų144.7 Ų44.70%0.00422%0.223CC..Hα-helixtrans-64.8-36.3-177.7-72.2-86.5000112.6I76 L87 V88 Y91 L125 I127 V224 A232I76-F228 HydrophobicContact CD1-CE1 3.8Å; I76-F228 HydrophobicContact CD1-CZ 3.73Å; L87-F228 HydrophobicContact CG-CE2 4.42Å; V88-F228 HydrophobicContact CG2-CZ 4.49Å; Y91-F228 HydrophobicContact CD1-CB 4.45Å; Y91-F228 AromaticContact CD1-CD1 3.77Å; Y91-F228 HydrophobicContact CD1-CD1 3.77Å; Y91-F228 AromaticContact CD1-CD2 3.72Å; Y91-F228 HydrophobicContact CD1-CD2 3.72Å; Y91-F228 AromaticContact CD1-CE1 3.83Å; Y91-F228 HydrophobicContact CD1-CE1 3.83Å; Y91-F228 AromaticContact CD1-CE2 3.81Å; Y91-F228 HydrophobicContact CD1-CE2 3.81Å; Y91-F228 AromaticContact CD1-CG 3.71Å; Y91-F228 HydrophobicContact CD1-CG 3.71Å; Y91-F228 AromaticContact CD1-CZ 3.85Å; Y91-F228 HydrophobicContact CD1-CZ 3.85Å; Y91-F228 HydrophobicContact CD2-CB 4.03Å; Y91-F228 AromaticContact CD2-CD2 3.39Å; Y91-F228 HydrophobicContact CD2-CD2 3.39Å; Y91-F228 AromaticContact CD2-CE2 4Å; Y91-F228 HydrophobicContact CD2-CE2 4Å; Y91-F228 AromaticContact CD2-CG 3.78Å; Y91-F228 HydrophobicContact CD2-CG 3.78Å; Y91-F228 HydrophobicContact CE1-CB 3.95Å; Y91-F228 AromaticContact CE1-CD1 3.65Å; Y91-F228 HydrophobicContact CE1-CD1 3.65Å; Y91-F228 HydrophobicContact CE1-CD2 4.1Å; Y91-F228 HydrophobicContact CE1-CE1 4.13Å; Y91-F228 AromaticContact CE1-CG 3.63Å; Y91-F228 HydrophobicContact CE1-CG 3.63Å; Y91-F228 HydrophobicContact CE2-CB 3.46Å; Y91-F228 VanDerWaalsContact CE2-CB 3.46Å; Y91-F228 AromaticContact CE2-CD2 3.79Å; Y91-F228 HydrophobicContact CE2-CD2 3.79Å; Y91-F228 AromaticContact CE2-CG 3.69Å; Y91-F228 HydrophobicContact CE2-CG 3.69Å; Y91-F228 HydrophobicContact CG-CB 4.49Å; Y91-F228 HydrophobicContact CG-CD1 4.29Å; Y91-F228 AromaticContact CG-CD2 3.35Å; Y91-F228 HydrophobicContact CG-CD2 3.35Å; Y91-F228 HydrophobicContact CG-CE1 4.37Å; Y91-F228 AromaticContact CG-CE2 3.48Å; Y91-F228 HydrophobicContact CG-CE2 3.48Å; Y91-F228 VanDerWaalsContact CG-CE2 3.48Å; Y91-F228 AromaticContact CG-CG 3.79Å; Y91-F228 HydrophobicContact CG-CG 3.79Å; Y91-F228 HydrophobicContact CG-CZ 4.01Å; Y91-F228 VanDerWaalsContact CZ-CB 3.43Å; Y91-F228 AromaticContact CZ-CG 3.63Å; L125-F228 HydrophobicContact CD2-CD1 4.24Å; I127-F228 HydrophobicContact CD1-CD1 4.3Å; I127-F228 HydrophobicContact CD1-CE1 3.8Å; I127-F228 HydrophobicContact CG1-CE1 4.36Å; V224-F228 HydrophobicContact CG1-CE2 4.45Å; V224-F228 WeakPolarHBondContact O-CD2 3.46Å; F228-A232 WeakPolarHBondContact O-CB 3.34Å; F228-A232 PolarHBondContact O-N 3.02Å
229Q94.8Very high90.9Very high51 Ų5148 Ų4824%0.23824%0.236CC..Hα-helixtrans-67.4-43.2175.9-166.868.721.400112.7V117 E225 V227 A232 Q233V117-Q229 PolarHBondContact O-NE2 3.1Å; E225-Q229 WeakPolarHBondContact O-CB 3.27Å; E225-Q229 PolarHBondContact O-N 2.64Å; E225-Q229 VanDerWaalsContact O-N 3.08Å; V227-Q229 VanDerWaalsContact C-N 3.33Å; V227-Q229 PolarHBondContact O-N 3.26Å; Q229-A232 PolarHBondContact O-N 3.2Å; Q229-Q233 WeakPolarHBondContact O-CB 3.46Å; Q229-Q233 VanDerWaalsContact O-CG 3.27Å; Q229-Q233 WeakPolarHBondContact O-CG 3.44Å; Q229-Q233 PolarHBondContact O-N 3.48Å
230D94.4Very high91.1Very high22 Ų2250.6 Ų50.612%0.11824%0.244CC..Hα-helixtrans-62.8-44.4175.7173.146.5000111.5T212 Y214 R226 V227 Q233 K234T212-D230 PolarHBondContact OG1-OD2 3.48Å; Y214-D230 HydrophobicContact CE2-CB 4.3Å; Y214-D230 WeakPolarHBondContact CE2-OD2 3.23Å; Y214-D230 PolarHBondContact OH-OD2 3.46Å; R226-D230 VanDerWaalsContact O-CB 3.28Å; R226-D230 WeakPolarHBondContact O-CB 3.34Å; R226-D230 PolarHBondContact O-N 2.94Å; V227-D230 PolarHBondContact O-N 3.22Å; D230-Q233 PolarHBondContact O-N 2.99Å; D230-K234 WeakPolarHBondContact O-CB 3.39Å; D230-K234 WeakPolarHBondContact O-CG 3.38Å; D230-K234 PolarHBondContact O-N 2.91Å; D230-K234 WeakPolarHBondContact OD1-CE 3.33Å; D230-K234 IonicContact OD1-NZ 3.56Å; D230-K234 PolarHBondContact OD1-NZ 2.94Å; D230-K234 IonicContact OD2-NZ 2.79Å; D230-K234 PolarHBondContact OD2-NZ 2.89Å
231V94.8Very high91.2Very high1 Ų150.8 Ų50.81%0.00625%0.248CC..Hα-helixtrans-57.5-51.5174.3172.50000111V74 A145 V147 V180 V227 K234 V235V74-V231 HydrophobicContact CB-CG1 4.43Å; V74-V231 HydrophobicContact CG1-CG1 3.95Å; V74-V231 HydrophobicContact CG2-CG1 3.54Å; A145-V231 HydrophobicContact CB-CG1 3.66Å; V147-V231 HydrophobicContact CG2-CG2 3.67Å; V180-V231 HydrophobicContact CB-CG2 4.03Å; V180-V231 HydrophobicContact CG2-CG2 3.54Å; V227-V231 HydrophobicContact CG1-CG2 4.48Å; V227-V231 WeakPolarHBondContact O-CG2 3.23Å; V227-V231 PolarHBondContact O-N 3.28Å; V231-K234 PolarHBondContact O-N 3.48Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 3.35Å
232A94.1Very high91Very high0 Ų053.7 Ų53.70%025%0.254CS..Hα-helixtrans-65.6-40.7-178.100000112.6L72 I116 V118 F228 Q229 K234 V235 V236L72-A232 HydrophobicContact CD1-CB 3.95Å; I116-A232 HydrophobicContact CD1-CB 3.66Å; V118-A232 HydrophobicContact CG2-CB 3.78Å; F228-A232 WeakPolarHBondContact O-CB 3.34Å; F228-A232 PolarHBondContact O-N 3.02Å; Q229-A232 PolarHBondContact O-N 3.2Å; A232-K234 VanDerWaalsContact C-N 3.33Å; A232-K234 PolarHBondContact O-N 2.81Å; A232-V235 PolarHBondContact O-N 3.45Å; A232-V236 WeakPolarHBondContact O-CG2 3.32Å; A232-V236 PolarHBondContact O-N 3.11Å
233Q93.9Very high90.2Very high90 Ų9055.8 Ų55.842%0.42126%0.261SS..Hα-helixtrans-58.9-42.6172.7-78.8174.4-2000111.8V118 Q229 D230 V236 A237V118-Q233 HydrophobicContact CG1-CG 3.95Å; Q229-Q233 WeakPolarHBondContact O-CB 3.46Å; Q229-Q233 VanDerWaalsContact O-CG 3.27Å; Q229-Q233 WeakPolarHBondContact O-CG 3.44Å; Q229-Q233 PolarHBondContact O-N 3.48Å; D230-Q233 PolarHBondContact O-N 2.99Å; Q233-V236 PolarHBondContact O-N 3.26Å; Q233-A237 WeakPolarHBondContact O-CB 3.44Å; Q233-A237 PolarHBondContact O-N 3.06Å
234K92.8Very high89.1Confident55 Ų5561.6 Ų61.624%0.23929%0.292CS..Hα-helixtrans-66.4-41.2177.2-76.5165.4172.4156.50113.3P178 T212 D230 V231 A232 A237 V238P178-K234 HydrophobicContact CB-CB 3.77Å; P178-K234 HydrophobicContact CB-CD 4.44Å; P178-K234 HydrophobicContact CG-CB 3.92Å; T212-K234 VanDerWaalsContact CG2-NZ 3.31Å; T212-K234 PolarHBondContact OG1-NZ 3.24Å; D230-K234 WeakPolarHBondContact O-CB 3.39Å; D230-K234 WeakPolarHBondContact O-CG 3.38Å; D230-K234 PolarHBondContact O-N 2.91Å; D230-K234 WeakPolarHBondContact OD1-CE 3.33Å; D230-K234 IonicContact OD1-NZ 3.56Å; D230-K234 PolarHBondContact OD1-NZ 2.94Å; D230-K234 IonicContact OD2-NZ 2.79Å; D230-K234 PolarHBondContact OD2-NZ 2.89Å; V231-K234 PolarHBondContact O-N 3.48Å; A232-K234 VanDerWaalsContact C-N 3.33Å; A232-K234 PolarHBondContact O-N 2.81Å; K234-A237 PolarHBondContact O-N 2.98Å; K234-V238 WeakPolarHBondContact O-CG2 3.4Å; K234-V238 PolarHBondContact O-N 3.45Å
235V92.7Very high87.6Confident2 Ų265.9 Ų65.91%0.01232%0.322CS..Hα-helixtrans-59.8-48.4174.2172.40000110.5L72 D144 A145 P178 V231 A232 A237 V238 R239L72-V235 HydrophobicContact CD2-CB 4.13Å; L72-V235 HydrophobicContact CD2-CG1 3.48Å; L72-V235 VanDerWaalsContact CD2-CG1 3.48Å; D144-V235 HydrophobicContact CB-CB 4.3Å; D144-V235 HydrophobicContact CB-CG1 3.53Å; D144-V235 HydrophobicContact CB-CG2 3.7Å; A145-V235 HydrophobicContact CB-CG2 3.52Å; P178-V235 HydrophobicContact CG-CG2 4.45Å; V231-V235 WeakPolarHBondContact O-CG2 3.45Å; V231-V235 PolarHBondContact O-N 3.35Å; A232-V235 PolarHBondContact O-N 3.45Å; V235-A237 VanDerWaalsContact C-N 3.32Å; V235-A237 PolarHBondContact O-N 3.39Å; V235-V238 PolarHBondContact O-N 2.93Å; V235-R239 HydrophobicContact CG1-CG 4.45Å; V235-R239 WeakPolarHBondContact O-CB 3.4Å; V235-R239 WeakPolarHBondContact O-CG 3.27Å; V235-R239 PolarHBondContact O-N 2.85Å
236V92.2Very high85.9Confident11 Ų1167.8 Ų67.87%0.06733%0.334CS..Hα-helixtrans-61.9-40.2178.11710000111.2L72 V118 A232 Q233 K240L72-V236 HydrophobicContact CD1-CG2 4.44Å; L72-V236 HydrophobicContact CD2-CG2 3.98Å; V118-V236 HydrophobicContact CB-CG2 4.26Å; V118-V236 HydrophobicContact CG1-CB 4.04Å; V118-V236 HydrophobicContact CG1-CG1 4.19Å; V118-V236 HydrophobicContact CG1-CG2 3.9Å; A232-V236 WeakPolarHBondContact O-CG2 3.32Å; A232-V236 PolarHBondContact O-N 3.11Å; Q233-V236 PolarHBondContact O-N 3.26Å; V236-K240 HydrophobicContact CG1-CD 4.11Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.27Å; V236-K240 WeakPolarHBondContact O-CG 3.3Å; V236-K240 PolarHBondContact O-N 3.22Å
237A90.4Very high83.4Confident56 Ų5662.7 Ų62.746%0.46333%0.331SS..Hα-helixtrans-65.6-42.7176.100000113.3Q233 K234 V235 K240 K241Q233-A237 WeakPolarHBondContact O-CB 3.44Å; Q233-A237 PolarHBondContact O-N 3.06Å; K234-A237 PolarHBondContact O-N 2.98Å; V235-A237 VanDerWaalsContact C-N 3.32Å; V235-A237 PolarHBondContact O-N 3.39Å; A237-K240 PolarHBondContact O-N 3.4Å; A237-K241 WeakPolarHBondContact O-CB 3.34Å; A237-K241 PolarHBondContact O-N 3.4Å
238V88.8Confident80.8Confident42 Ų4269 Ų6926%0.25537%0.373SS..Hα-helixtrans-63.3-45.9175.8168.40000110.8P178 K234 V235 K240 K241 Q242P178-V238 HydrophobicContact CG-CG2 3.91Å; K234-V238 WeakPolarHBondContact O-CG2 3.4Å; K234-V238 PolarHBondContact O-N 3.45Å; V235-V238 PolarHBondContact O-N 2.93Å; V238-K240 PolarHBondContact O-N 3.2Å; V238-K241 WeakPolarHBondContact O-CB 3.4Å; V238-K241 PolarHBondContact O-N 3.14Å; V238-Q242 WeakPolarHBondContact O-CG 3.3Å; V238-Q242 PolarHBondContact O-N 3.27Å
239R88.3Confident77.7Confident72 Ų7275.3 Ų75.327%0.27242%0.415SS..Hα-helixtrans-62.3-42.2176.7-71.4173.2171.8-167-0.6112.2E71 D144 V235 K241 Q242 Q243E71-R239 VanDerWaalsContact O-CZ 3.24Å; E71-R239 PolarHBondContact O-NH1 3.4Å; E71-R239 PolarHBondContact O-NH2 3.17Å; D144-R239 IonicContact OD1-CZ 3.5Å; D144-R239 VanDerWaalsContact OD1-CZ 3.28Å; D144-R239 IonicContact OD1-NE 3.87Å; D144-R239 PolarHBondContact OD1-NE 2.93Å; D144-R239 IonicContact OD1-NH2 3.26Å; D144-R239 PolarHBondContact OD1-NH2 2.67Å; D144-R239 IonicContact OD2-CZ 2.8Å; D144-R239 IonicContact OD2-NH2 2.72Å; D144-R239 PolarHBondContact OD2-NH2 2.92Å; V235-R239 HydrophobicContact CG1-CG 4.45Å; V235-R239 WeakPolarHBondContact O-CB 3.4Å; V235-R239 WeakPolarHBondContact O-CG 3.27Å; V235-R239 PolarHBondContact O-N 2.85Å; R239-K241 PolarHBondContact O-N 2.97Å; R239-Q242 PolarHBondContact O-N 2.85Å; R239-Q243 WeakPolarHBondContact O-CG 3.4Å; R239-Q243 PolarHBondContact O-N 2.72Å
240K86.1Confident75.2Confident87 Ų8782.8 Ų82.838%0.37845%0.447SS..Hα-helixtrans-60.2-42.5173.2-75.8175.2-176.9-179.20112D119 V236 A237 V238 Q243 L244D119-K240 IonicContact OD2-NZ 3.91Å; D119-K240 PolarHBondContact OD2-NZ 3.31Å; V236-K240 HydrophobicContact CG1-CD 4.11Å; V236-K240 WeakPolarHBondContact O-CB 3.46Å; V236-K240 VanDerWaalsContact O-CG 3.27Å; V236-K240 WeakPolarHBondContact O-CG 3.3Å; V236-K240 PolarHBondContact O-N 3.22Å; A237-K240 PolarHBondContact O-N 3.4Å; V238-K240 PolarHBondContact O-N 3.2Å; K240-Q243 PolarHBondContact O-N 2.99Å; K240-L244 WeakPolarHBondContact O-CG 3.44Å; K240-L244 PolarHBondContact O-N 2.79Å
241K83.8Confident72.2Confident163 Ų16387.2 Ų87.271%0.70948%0.479SS*.Hα-helixtrans-62-43.6175.5-174.6-173.3175.7-167.90111.7A237 V238 R239 L244 S245A237-K241 WeakPolarHBondContact O-CB 3.34Å; A237-K241 PolarHBondContact O-N 3.4Å; V238-K241 WeakPolarHBondContact O-CB 3.4Å; V238-K241 PolarHBondContact O-N 3.14Å; R239-K241 PolarHBondContact O-N 2.97Å; K241-L244 PolarHBondContact O-N 3.06Å; K241-S245 PolarHBondContact O-N 2.79Å; K241-S245 VanDerWaalsContact O-N 3.16Å; K241-S245 PolarHBondContact O-OG 2.91Å
242Q78.8Confident69.2Low87 Ų8795.2 Ų95.241%0.40752%0.521SS..Hα-helixtrans-64.2-42.5177.3-72.7168.8-13.200112.1V238 R239 L244 S245V238-Q242 WeakPolarHBondContact O-CG 3.3Å; V238-Q242 PolarHBondContact O-N 3.27Å; R239-Q242 PolarHBondContact O-N 2.85Å; Q242-L244 VanDerWaalsContact C-N 3.35Å; Q242-L244 PolarHBondContact O-N 3.09Å; Q242-S245 WeakPolarHBondContact CA-OG 3.17Å; Q242-S245 PolarHBondContact O-N 2.82Å; Q242-S245 PolarHBondContact O-OG 2.97Å
243Q73.1Confident67.6Low138 Ų138100.1 Ų100.165%0.64555%0.553SS**Hα-helixtrans-60-42.1174.1-73.8173.4-8.200112.3R239 K240 S245 I246R239-Q243 WeakPolarHBondContact O-CG 3.4Å; R239-Q243 PolarHBondContact O-N 2.72Å; K240-Q243 PolarHBondContact O-N 2.99Å; Q243-S245 VanDerWaalsContact C-N 3.28Å; Q243-S245 PolarHBondContact O-N 3.03Å; Q243-I246 PolarHBondContact O-N 3.43Å
244L66.8Low64.5Low155 Ų155103.3 Ų103.381%0.81257%0.573SS**Hα-helixtrans-69.7-21.3177.9-71.1168.2000113.8K240 K241 Q242 I246K240-L244 WeakPolarHBondContact O-CG 3.44Å; K240-L244 PolarHBondContact O-N 2.79Å; K241-L244 PolarHBondContact O-N 3.06Å; Q242-L244 VanDerWaalsContact C-N 3.35Å; Q242-L244 PolarHBondContact O-N 3.09Å; L244-I246 VanDerWaalsContact C-N 3.34Å
245S58.4Low61.4Low96 Ų96105.8 Ų105.867%0.67160%0.597SS**THydrogen-bonded Turntrans-81.8-6.1173.553.30000114.7K241 Q242 Q243K241-S245 PolarHBondContact O-N 2.79Å; K241-S245 VanDerWaalsContact O-N 3.16Å; K241-S245 PolarHBondContact O-OG 2.91Å; Q242-S245 WeakPolarHBondContact CA-OG 3.17Å; Q242-S245 PolarHBondContact O-N 2.82Å; Q242-S245 PolarHBondContact O-OG 2.97Å; Q243-S245 VanDerWaalsContact C-N 3.28Å; Q243-S245 PolarHBondContact O-N 3.03Å
246I57.1Low58.9Low134 Ų134111.2 Ų111.269%0.68763%0.633SS**SBendtrans-104.1108.1176.8-60.7171.9000108.7Q243 L244Q243-I246 PolarHBondContact O-N 3.43Å; L244-I246 VanDerWaalsContact C-N 3.34Å
247G40.2Very low55.7Low54 Ų54116.5 Ų116.556%0.55767%0.67SS**  trans-65152.6-176.100000114.2C249G247-C249 PolarHBondContact O-N 3.27Å
248P39.9Very low52.9Low133 Ų133122.9 Ų122.986%0.86469%0.69SS**  trans-79.290.6-170.231.6-36.5000113.6
249C31.3Very low50Low132 Ų132127 Ų12789%0.89272%0.715SS**  trans-74.8128.2164-72.30000110.8G247G247-C249 PolarHBondContact O-N 3.27Å
250K41.3Very low47Very low209 Ų209128.5 Ų128.591%0.90974%0.736SS**  trans-87.2113.2-174.1-63.6176.7-179.21760112.6
251S32.1Very low44.3Very low115 Ų115130.8 Ų130.880%0.80476%0.758SS**  trans-161.9139.8152.3530000112.7
252L30.8Very low41.6Very low169 Ų169128.8 Ų128.889%0.88576%0.763SS**  trans-145.7157.4171.9-79.7173.6000106.9
253P61.9Low39.2Very low102 Ų102128.7 Ų128.766%0.66278%0.776SS**  -134.9157.2-5635.6-20.1000111.8
254N27.4Very low36.9Very low157 Ų157126.3 Ų126.384%0.8478%0.781SS**  trans-174138145.8-106.6-25.7000115.3
255S27.5Very low35Very low108 Ų108128.2 Ų128.276%0.75579%0.786SS**  trans64.1154.5153.3-66.40000119.8
256P40.4Very low33.5Very low116 Ų116129.6 Ų129.675%0.75379%0.789SS**  trans-94.3156.7-159.836.8-36.1000114.1
257S25.1Very low32Very low121 Ų121129.2 Ų129.285%0.84680%0.799SS**  trans-150.1152.5162.7-77.10000110.4
258H32.3Very low31.4Very low191 Ų191130.7 Ų130.788%0.88481%0.806SS**  trans-92.8132.4-175.6-64.8-130000110.5
259T26.8Very low30.9Very low129 Ų129130.8 Ų130.879%0.79180%0.803SS**  trans-143.2105.2155.544.60000106.8
260S27.1Very low30.6Very low102 Ų102132.9 Ų132.971%0.71380%0.8SS**  78.1116.166.673.50000112.3
261V29.2Very low29.9Very low136 Ų136128.9 Ų128.982%0.82479%0.793SS**  trans-64.4133.8-179.8176.30000111.2
262C26.7Very low29.6Very low121 Ų121128 Ų12882%0.81879%0.787SS**  trans-127.7108.8148.7-69.40000106.2
263A27.6Very low29.5Very low84 Ų84128 Ų12869%0.69478%0.782SS**  61.475.763.900000111.5
264A25.3Very low27.8Very low89 Ų89129 Ų12974%0.73679%0.787SS**PPolyproline II helixtrans-77.1122168.500000109.7
265Q26.9Very low27.9Very low195 Ų195127.2 Ų127.291%0.91179%0.786SS**PPolyproline II helixtrans-96.2149.5165.2-80.7-160.9-39.500111.7
266V27.5Very low28.1Very low124 Ų124130 Ų13075%0.75279%0.792SS**PPolyproline II helixtrans-77.2145.6-177.9-176.70000110.6
267S25.7Very low27.5Very low126 Ų126128.4 Ų128.488%0.88180%0.797SS**  trans-153149.9149.4-83.70000110.5
268A27.3Very low27.7Very low86 Ų86126.5 Ų126.571%0.71180%0.797SS**  trans-113.8154.6-171.600000111.9
269V28.6Very low27.4Very low134 Ų134121 Ų12181%0.81279%0.791SS**  trans3998.9145.4-175.50000117.3
270H26Very low27.5Very low176 Ų176119.8 Ų119.882%0.81579%0.789SS**  55.7118.3123.1-128.9-92.4000119.7
271V26.2Very low27.4Very low126 Ų126122 Ų12276%0.76479%0.791SS**  174.5132.4125.2147.50000112.6
272S25.5Very low27.5Very low96 Ų96119.9 Ų119.967%0.67178%0.783SS**  trans52132.8154-66.60000125.1
273Q28Very low27.6Very low168 Ų168121.5 Ų121.579%0.78578%0.784SS**  trans77.2100.7132.1-73.5174.9-10.300122.4
274T26.3Very low27.8Very low125 Ų125127.5 Ų127.577%0.76779%0.79SS**  50.4127.7124.2580000122.5
275S29.7Very low28.1Very low118 Ų118126.9 Ų126.983%0.82578%0.78SS**  125.5163.212878.20000117.5
276N30.8Very low28.2Very low166 Ų166122.5 Ų122.589%0.88877%0.771SS**  trans-75.5157.2-157-58.3-28.3000115.9
277G29.7Very low28.3Very low83 Ų83121.5 Ų121.586%0.85677%0.769SS**  trans91168.2155.400000115.7
278G28.3Very low28.7Very low82 Ų82121.8 Ų121.885%0.84577%0.766SS**  cis-17717.1300000116.6
279G26.6Very low29.3Very low74 Ų74122.9 Ų122.976%0.76377%0.766SS**  trans75.7-175.7174.500000116.5
280S27.6Very low29.3Very low105 Ų105121.4 Ų121.473%0.73476%0.761SS**  trans78.4114.4171-158.30000119.3
281L25.9Very low29.5Very low147 Ų147119.2 Ų119.277%0.7776%0.76SS**  trans42108.2131.5-53.2177.9000118.1
282S32Very low30.2Very low93 Ų93118.4 Ų118.465%0.6576%0.757SS**  78.9125.563.875.90000115.3
283D29.1Very low30.1Very low155 Ų155118.7 Ų118.783%0.82976%0.76SS**  trans169.9155.9149.7-93.5-7.9000107.1
284Y31.6Very low30.1Very low209 Ų209116.4 Ų116.482%0.8276%0.757SS**  cis163.1148.51.1-178.6-109.5000102.9
285S31.7Very low30Very low76 Ų76116 Ų11653%0.53176%0.76SS.*  cis-166.6168.1-0.7-1400000112.9
286S27.6Very low30Very low104 Ų104119.6 Ų119.673%0.72776%0.764SS**  trans164.4110.1136.542.40000109.8
287S30.9Very low29.9Very low102 Ų102121.1 Ų121.171%0.71376%0.762SS**  71.1131.267.475.10000113.3
288V34.2Very low29.9Very low133 Ų133124 Ų12481%0.80675%0.753SS**  cis-171.7-1735.6-100.90000107.4
289P39.8Very low29.8Very low109 Ų109128.1 Ų128.171%0.70876%0.755SS**  cis-134.6174-20.925.8-2.1000116.6
290S28.1Very low29.8Very low102 Ų102134.4 Ų134.471%0.71376%0.756SS**  trans51124.8147.3-57.20000122.7
291T29.5Very low29.8Very low131 Ų131136.5 Ų136.580%0.80476%0.757SS**  cis75.6151.946.770.40000115.6
292P40.8Very low29.7Very low108 Ų108137.2 Ų137.270%0.70176%0.762SS**  cis-133160.814.342.7-24.2000116.4
293S24.9Very low29.4Very low103 Ų103137 Ų13772%0.7277%0.766SS**  59.8149.5101.4100.50000117.9
294T26.7Very low29.6Very low119 Ų119135.1 Ų135.173%0.7376%0.762SS**  cis-162159.222.9-190000114.2
295S24.4Very low29.4Very low117 Ų117134 Ų13482%0.81876%0.764SS**  trans67.9161.114978.50000123.1
296Q30.6Very low29.2Very low194 Ų194134.9 Ų134.991%0.90778%0.776SS**  trans-135.1147.2178-68.5178.5-24.700110.4
297K29.1Very low29Very low197 Ų197134 Ų13486%0.85778%0.776SS**  trans-159.7171138.6-130.6-178.6175.1-179.10112.9
298E29Very low28.8Very low143 Ų143136.9 Ų136.967%0.66878%0.783SS**  trans-81.2158.4-163-53150.78900115
299L26.2Very low28.3Very low169 Ų169136.9 Ų136.989%0.88578%0.783SS**  -170.3178.2112.6-99.7165.2000112.2
300R25.6Very low28.3Very low206 Ų206137.2 Ų137.278%0.77779%0.786SS**  trans-104.8165.4-170.8-65.3172.8163.884-4.9113.1
301I27.7Very low28.5Very low150 Ų150137.6 Ų137.677%0.76978%0.784SS**  trans133.7126.2139.5-71.8164.4000115.1
302D24.1Very low29.1Very low162 Ų162137.2 Ų137.287%0.86678%0.783SS**  trans40.8161.7156.2-70.4-54.5000125.1
303A26.7Very low28.7Very low88 Ų88137.6 Ų137.673%0.72778%0.783SS**  trans-103.3169.2176.200000111.4
304P33.4Very low29Very low116 Ų116143.9 Ų143.975%0.75379%0.791SS**  -159.3168.38042.5-22000119.5
305Q26.6Very low29.3Very low184 Ų184146.3 Ų146.386%0.8679%0.792SS**  trans60.1141.9140.4-80-171.4-1.200126.2
306A26.7Very low29.7Very low95 Ų95147.8 Ų147.879%0.78579%0.786SS**  trans72.1151.2140.200000120.2
307A24.7Very low29.5Very low87 Ų87142 Ų14272%0.71977%0.766SS**  cis-167.8166.5-21.800000109.1
308N26.5Very low29.7Very low161 Ų161142 Ų14286%0.86177%0.766SS**  trans-164.1145.4160.7-106-38.2000115.1
309T22.9Very low29.7Very low134 Ų134146.9 Ų146.982%0.82278%0.779SS**  trans177.5172.9176.35.70000107.4
310P41.3Very low30Very low116 Ų116149.4 Ų149.475%0.75378%0.776SS**  cis-134.9-162.85.741.5-20.9000115.7
311T32.1Very low30.4Very low110 Ų110143.3 Ų143.368%0.67577%0.766SS**  trans-87.2-178.9179.954.20000114.6
312P42.3Very low30.4Very low122 Ų122143 Ų14379%0.79277%0.765SS**  -135.3153.3107.927.4-11000113.5
313V31.8Very low30.6Very low116 Ų116142.4 Ų142.470%0.70376%0.762SS**  cis105.7127.718.1167.20000113.9
314R30.6Very low30.8Very low236 Ų236147.7 Ų147.789%0.89177%0.769SS**  trans151.1131.2150.3176.6179.2-169.3147.2-3.2109.4
315K34.1Very low30.5Very low169 Ų169148.9 Ų148.974%0.73577%0.774SS**  cis-174.3167.9-15.9-113.1176.5172.8-167.30104.8
316Q31.8Very low30.7Very low149 Ų149145.2 Ų145.270%0.69677%0.769SS**  cis-164.5-169.29.5-135167.9-133.400106.3
317S26.3Very low31Very low71 Ų71152.4 Ų152.450%0.49778%0.775SS.*  cis-164.4112.5-1.9169.80000112.8
318K34Very low31.2Very low198 Ų198158.1 Ų158.186%0.86178%0.784SS**  trans71.5150.6147.5-58.7172-172.2175.40116.9
319R29.6Very low31.1Very low246 Ų246154.4 Ų154.493%0.92878%0.776SS**  cis-138.2171.439.8-154.1172.5-171.9-108.27.4114.7
320R31.3Very low31.3Very low221 Ų221153.1 Ų153.183%0.83477%0.772SS**  trans-99.7172.9-168.8-102.5-169.8170.8-170.9-2.9112.1
321S34.6Very low30.6Very low79 Ų79155 Ų15555%0.55278%0.776SS**  cis179.1153.3-143.40000113.8
322N26.3Very low31.1Very low142 Ų142154.7 Ų154.776%0.75978%0.776SS**  trans59.6174.3143.5-55.312.1000118
323L28.3Very low30.5Very low151 Ų151156.1 Ų156.179%0.79178%0.777SS**  cis-153.9156.410-167.867.7000111.2
324F30.8Very low30.3Very low199 Ų199160.8 Ų160.887%0.87379%0.788SS**  trans-83.4149.3168.9-87.4-86000113.4
325T28.4Very low30.4Very low140 Ų140156.9 Ų156.986%0.85978%0.779SS**  trans-139.1149151.248.90000111
326S30.9Very low30.5Very low108 Ų108156.9 Ų156.976%0.75578%0.78SS**  trans-160.8139.9178.7174.60000111.3
327R32.1Very low30.5Very low245 Ų245159.9 Ų159.993%0.92579%0.79SS**  trans172.7137.2165.6-90.3142.6-166.7-133.24.6106.9
328K29.5Very low30.9Very low207 Ų207159.8 Ų159.890%0.980%0.801SS**  cis117.697.51.1-169.3-179.5-179.8-178.90114.5
329A25.1Very low30.7Very low84 Ų84157.6 Ų157.669%0.69480%0.797SS**  trans-168.2132.8159.400000106.1
330S26Very low30.6Very low106 Ų106154 Ų15474%0.74179%0.791SS**  55.5127.766.164.60000113.5
331D26.7Very low30.4Very low156 Ų156151.4 Ų151.483%0.83479%0.794SS**  cis-141.4-152.522.6-132-6000113.1
332P41.8Very low30.3Very low104 Ų104159.5 Ų159.568%0.67581%0.812SS**  trans-109.5-165.4-15046-39.3000117.9
333D29.9Very low30.4Very low152 Ų152157.3 Ų157.381%0.81381%0.814SS**  trans72.8104.6170.4-78.7-31.9000121.1
334K29.1Very low30.5Very low214 Ų214156.6 Ų156.693%0.9381%0.811SS**  -174.8162.6122.6-103.6162.7-175.6171.10114.9
335E31.7Very low30.6Very low153 Ų153152.6 Ų152.672%0.71581%0.808SS**  trans-79.9170.1-173.1-48.6-172.7116.300116.2
336K37.6Very low30.8Very low170 Ų170154.2 Ų154.274%0.73981%0.809SS**  trans57.9100151-74.2171.8-175.6120.40118.7
337K29.9Very low30.9Very low212 Ų212152.8 Ų152.892%0.92281%0.812SS**  -174.1161.7113.8-104.5174179.7-176.50111.6
338G35.8Very low30.9Very low69 Ų69146.1 Ų146.171%0.71180%0.803SS**  trans-95.8160.2167.500000112.2
339L29.3Very low31.4Very low152 Ų152139.6 Ų139.680%0.79679%0.794SS**  trans-131.8131.8170-72.3155.6000105.7
340E27.9Very low33.1Very low169 Ų169140.7 Ų140.779%0.7978%0.78SS**  66.483.259.1-64.6-157.6135.100113.6R342E340-R342 PolarHBondContact O-N 3.34Å; E340-R342 VanDerWaalsContact O-N 3.16Å
341N27.7Very low34.7Very low168 Ų168138.8 Ų138.890%0.89877%0.771SS**  trans-77.991.4166.4-81.3-11.7000110.5
342R32.4Very low36.9Very low248 Ų248138.5 Ų138.594%0.93677%0.768SS**  trans-83117.3153.4-90.6-176.9166.5-180-3.2108.9E340E340-R342 PolarHBondContact O-N 3.34Å; E340-R342 VanDerWaalsContact O-N 3.16Å
343A28.6Very low38.8Very low97 Ų97134.3 Ų134.380%0.80274%0.741SS**  trans-137.791.5173.500000109.7
344D29.7Very low41.4Very low136 Ų136131.2 Ų131.273%0.72772%0.723SS**  trans-150.382.2176.5-148.9-3.7000109.8
345S32.8Very low44.2Very low114 Ų114123.5 Ų123.580%0.79769%0.69SS**  trans177.974.9163.9-82.70000111.8
346I32Very low47Very low174 Ų174121 Ų12189%0.89268%0.678SS**SBendtrans179.4117.5141.5-93.5152.3000107
347G33.1Very low49.5Very low79 Ų79113.7 Ų113.781%0.81465%0.651SS**  trans84.725.1163.100000119.2G349G347-G349 PolarHBondContact O-N 2.8Å
348S32.8Very low52.4Low104 Ų104107.7 Ų107.773%0.72763%0.627SS**  trans-7295.5172.1440000112.3
349G39.4Very low55Low70 Ų70104.5 Ų104.572%0.72259%0.594SS**PPolyproline II helixtrans-66.4154.316500000111.7G347G347-G349 PolarHBondContact O-N 2.8Å
350R60.9Low57.9Low107 Ų107100.5 Ų100.540%0.40457%0.572SS.*PPolyproline II helixtrans-68.7150.5168.5-68.7174176.3-92.1-7.6109.7I352 Y393 M394 N396R350-I352 PolarHBondContact O-N 2.9Å; R350-Y393 PolarHBondContact NH1-O 2.91Å; R350-Y393 PolarHBondContact NH2-O 2.75Å; R350-M394 PolarHBondContact NH2-O 3.44Å; R350-N396 PolarHBondContact NH1-OD1 3.02Å; R350-N396 VanDerWaalsContact NH2-CB 3.34Å; R350-N396 VanDerWaalsContact NH2-N 3.16Å; R350-N396 PolarHBondContact NH2-OD1 2.9Å
351A60.3Low60.8Low66 Ų6693.7 Ų93.755%0.54554%0.539SS..PPolyproline II helixtrans-53.3135.6165.300000109.9P353A351-P353 WeakPolarHBondContact O-CD 3.49Å
352I72.7Confident63.7Low151 Ų15188.2 Ų88.277%0.77451%0.506SS*.PPolyproline II helixtrans-76.7119.9-175.3-58.8175.7000108.2R350R350-I352 PolarHBondContact O-N 2.9Å
353P80.6Confident65.8Low15 Ų1578.3 Ų78.310%0.09748%0.475CS..PPolyproline II helixtrans-68.5134.3177.8-19.533.5000111.4A351 K355 Q356 T377 L378A351-P353 WeakPolarHBondContact O-CD 3.49Å; P353-K355 PolarHBondContact O-N 3.4Å; P353-Q356 HydrophobicContact CB-CB 4.25Å; P353-T377 HydrophobicContact CG-CG2 4.16Å; P353-L378 CarbonylContact C-O 3.57Å; P353-L378 VanDerWaalsContact CA-O 3.28Å; P353-L378 WeakPolarHBondContact CA-O 3.24Å; P353-L378 WeakPolarHBondContact CB-O 3.4Å
354I84.5Confident67.5Low88 Ų8877.4 Ų77.445%0.45148%0.475SS..SBendtrans-57.2-37.4172.2-66.4177.2000110.8L378 D380 V591I354-L378 PolarHBondContact N-O 3.42Å; I354-D380 HydrophobicContact CD1-CB 3.9Å; I354-D380 HydrophobicContact CG1-CB 4.37Å; I354-V591 HydrophobicContact CG2-CG1 3.68Å
355K88.1Confident69Low52 Ų5279.1 Ų79.123%0.22648%0.476CS..EExtended strand (participates in β ladder)trans-144.3138.3173-158.4178.6-177.794.70110.6P353 T377 L378 A587 W588 V591P353-K355 PolarHBondContact O-N 3.4Å; K355-T377 CarbonylContact O-C 3.46Å; K355-T377 WeakPolarHBondContact O-CA 3.32Å; K355-L378 HydrophobicContact CB-CB 4.38Å; K355-L378 PolarHBondContact N-O 3.36Å; K355-L378 PolarHBondContact O-N 3.3Å; K355-A587 WeakPolarHBondContact CE-O 3.3Å; K355-A587 PolarHBondContact NZ-O 2.98Å; K355-W588 HydrophobicContact CB-CH2 4.16Å; K355-W588 HydrophobicContact CB-CZ3 4Å; K355-W588 HydrophobicContact CD-CD2 3.68Å; K355-W588 HydrophobicContact CD-CE3 3.66Å; K355-W588 HydrophobicContact CD-CG 4.2Å; K355-W588 HydrophobicContact CD-CH2 4.26Å; K355-W588 HydrophobicContact CD-CZ2 4.28Å; K355-W588 HydrophobicContact CD-CZ3 3.96Å; K355-W588 HydrophobicContact CG-CD2 4.4Å; K355-W588 HydrophobicContact CG-CE3 4.24Å; K355-W588 HydrophobicContact CG-CH2 3.95Å; K355-W588 HydrophobicContact CG-CZ2 4.12Å; K355-W588 HydrophobicContact CG-CZ3 4.01Å; K355-V591 HydrophobicContact CB-CG1 4.31Å; K355-V591 HydrophobicContact CD-CB 4.17Å; K355-V591 HydrophobicContact CD-CG2 4.21Å
356Q91Very high69.9Low100 Ų10079.2 Ų79.247%0.46748%0.477SS..EExtended strand (participates in β ladder)trans-143.7144.2178.357.5-175.4-300111.1P353 Y375 V376 T377P353-Q356 HydrophobicContact CB-CB 4.25Å; Q356-Y375 PolarHBondContact OE1-OH 2.77Å; Q356-V376 VanDerWaalsContact CA-O 3.29Å; Q356-V376 WeakPolarHBondContact CA-O 3.38Å; Q356-T377 HydrophobicContact CB-CG2 4.06Å
357G90.1Very high70.8Confident16 Ų1678.4 Ų78.417%0.16547%0.474CS..EExtended strand (participates in β ladder)trans177.8-172.7-176.700000113.5Y375 V376G357-Y375 WeakPolarHBondContact O-CA 3.46Å; G357-Y375 VanDerWaalsContact O-CD2 3.29Å; G357-Y375 WeakPolarHBondContact O-CD2 3.27Å; G357-V376 PolarHBondContact N-O 2.86Å; G357-V376 PolarHBondContact O-N 2.66Å
358M89.9Confident71.8Confident87 Ų8779.4 Ų79.443%0.42946%0.46SS..EExtended strand (participates in β ladder)trans-113.9106.7176.6-88.691.653.800112.8K373 K374 Y375M358-K373 HydrophobicContact CB-CD 4.27Å; M358-K373 HydrophobicContact CB-CG 4.01Å; M358-K373 HydrophobicContact CG-CD 4.4Å; M358-K373 HydrophobicContact CG-CG 4.14Å; M358-K374 CarbonylContact C-O 3.45Å; M358-K374 VanDerWaalsContact CA-O 3.24Å; M358-K374 WeakPolarHBondContact CA-O 3.36Å; M358-Y375 HydrophobicContact CG-CD2 4.27Å; M358-Y375 HydrophobicContact SD-CD2 3.59Å; M358-Y375 VanDerWaalsContact SD-CD2 3.59Å; M358-Y375 HydrophobicContact SD-CE2 4.17Å
359L90.9Very high73.4Confident2 Ų282.2 Ų82.21%0.0146%0.459CS..EExtended strand (participates in β ladder)trans-98.4153.5173.2-66.2173.7000111.9K373 K374 V376 F565 F577 A579 W588L359-K373 CarbonylContact O-C 3.6Å; L359-K374 PolarHBondContact N-O 3.43Å; L359-K374 PolarHBondContact O-N 2.62Å; L359-V376 HydrophobicContact CB-CG2 4Å; L359-V376 HydrophobicContact CD1-CB 4.36Å; L359-V376 HydrophobicContact CD1-CG1 4.42Å; L359-V376 HydrophobicContact CD1-CG2 4.16Å; L359-V376 HydrophobicContact CG-CG2 4.34Å; L359-F565 HydrophobicContact CD1-CE1 3.96Å; L359-F565 HydrophobicContact CD1-CZ 3.7Å; L359-F565 HydrophobicContact CD2-CE1 4.36Å; L359-F577 HydrophobicContact CB-CD1 4.09Å; L359-F577 HydrophobicContact CD1-CB 4.29Å; L359-F577 HydrophobicContact CD1-CD1 4.13Å; L359-F577 HydrophobicContact CD1-CG 4.4Å; L359-A579 HydrophobicContact CD2-CB 3.85Å; L359-W588 HydrophobicContact CD1-CD2 3.96Å; L359-W588 HydrophobicContact CD1-CE3 4.41Å; L359-W588 HydrophobicContact CD1-CG 4.19Å; L359-W588 HydrophobicContact CD1-CZ2 4.43Å; L359-W588 HydrophobicContact CD2-CG 4.42Å
360M89.5Confident75.4Confident68 Ų6882.6 Ų82.634%0.33544%0.442SS..EExtended strand (participates in β ladder)trans-82.2130.1167.3-75-78.6-87.700109.1W371 K373 F577 E578M360-W371 HydrophobicContact CB-CE3 4.14Å; M360-W371 HydrophobicContact CE-CB 3.68Å; M360-K373 HydrophobicContact SD-CB 4.03Å; M360-K373 PolarHBondContact SD-N 3.48Å; M360-K373 VanDerWaalsContact SD-N 3.45Å; M360-F577 CarbonylContact O-C 3.52Å; M360-F577 VanDerWaalsContact O-CA 3.24Å; M360-F577 WeakPolarHBondContact O-CA 3.45Å; M360-E578 HydrophobicContact CB-CB 3.84Å; M360-E578 HydrophobicContact CB-CG 4.04Å; M360-E578 WeakPolarHBondContact CB-OE2 3.36Å; M360-E578 PolarHBondContact N-O 3.16Å; M360-E578 PolarHBondContact O-N 3.23Å
361K90.5Very high76.5Confident25 Ų2580.9 Ų80.911%0.10944%0.436CS..EExtended strand (participates in β ladder)trans-121.6124.8-174.6-157.7-80.2160.5-160.10110.7K372 K374 Y386 F577K361-K372 PolarHBondContact N-O 3.06Å; K361-K372 PolarHBondContact O-N 3.46Å; K361-K374 HydrophobicContact CB-CB 4.34Å; K361-K374 HydrophobicContact CB-CG 3.71Å; K361-K374 HydrophobicContact CG-CG 4.45Å; K361-Y386 HydrophobicContact CD-CE2 4.27Å; K361-Y386 HydrophobicContact CG-CE2 4.47Å; K361-F577 HydrophobicContact CB-CD1 4.11Å; K361-F577 HydrophobicContact CB-CE1 4.12Å; K361-F577 HydrophobicContact CG-CD1 3.73Å; K361-F577 HydrophobicContact CG-CE1 3.41Å; K361-F577 VanDerWaalsContact CG-CE1 3.41Å; K361-F577 HydrophobicContact CG-CZ 4.01Å
362R87.3Confident77.8Confident53 Ų5382.9 Ų82.920%0.243%0.432CS..EExtended strand (participates in β ladder)trans-77.4134.8-178.5-162.5159.562.2-147.5-1.6112.7G364 W371 E564 N576R362-G364 PolarHBondContact O-N 2.91Å; R362-W371 HydrophobicContact CB-CD2 3.95Å; R362-W371 HydrophobicContact CB-CE3 3.67Å; R362-W371 HydrophobicContact CB-CH2 3.98Å; R362-W371 HydrophobicContact CB-CZ2 4.26Å; R362-W371 HydrophobicContact CB-CZ3 3.68Å; R362-W371 HydrophobicContact CG-CD2 4.26Å; R362-W371 HydrophobicContact CG-CE3 4.48Å; R362-W371 VanDerWaalsContact N-CE3 3.26Å; R362-E564 IonicContact CZ-OE1 3.85Å; R362-E564 VanDerWaalsContact CZ-OE1 3.23Å; R362-E564 IonicContact CZ-OE2 3.23Å; R362-E564 VanDerWaalsContact NH1-CD 3.26Å; R362-E564 IonicContact NH1-OE1 2.65Å; R362-E564 PolarHBondContact NH1-OE1 3.3Å; R362-E564 VanDerWaalsContact NH1-OE1 3.08Å; R362-E564 IonicContact NH1-OE2 3.08Å; R362-E564 PolarHBondContact NH1-OE2 3.13Å; R362-E564 IonicContact NH2-OE1 3.08Å; R362-E564 PolarHBondContact NH2-OE1 2.79Å; R362-E564 IonicContact NH2-OE2 2.77Å; R362-N576 HydrophobicContact CB-CB 4.01Å; R362-N576 PolarHBondContact N-O 3.05Å; R362-N576 VanDerWaalsContact N-O 3.13Å; R362-N576 PolarHBondContact NE-OD1 3.21Å; R362-N576 PolarHBondContact NH2-ND2 2.63Å; R362-N576 PolarHBondContact NH2-OD1 2.75Å
363S77Confident78.6Confident41 Ų4181.6 Ų81.629%0.28742%0.421SS..  trans-60.7129.4170.8173.70000111.5K365 N368 E370S363-K365 PolarHBondContact OG-N 3.21Å; S363-N368 VanDerWaalsContact CB-O 3.28Å; S363-N368 WeakPolarHBondContact CB-O 3.46Å; S363-N368 PolarHBondContact OG-O 2.81Å; S363-N368 VanDerWaalsContact OG-O 3.13Å; S363-E370 WeakPolarHBondContact CB-O 3.15Å; S363-E370 PolarHBondContact N-O 3.47Å
364G63.5Low79.2Confident78 Ų7883.1 Ų83.180%0.80443%0.426SS*.  trans-87.20.3174.800000114.5R362 S366R362-G364 PolarHBondContact O-N 2.91Å; G364-S366 PolarHBondContact O-N 3.34Å
365K61.7Low79.4Confident172 Ų17280 Ų8075%0.74841%0.409SS*.  trans-83.6114.7175.3-69.4-169.5175.5-171.40109.3S363 L367 N368S363-K365 PolarHBondContact OG-N 3.21Å; K365-L367 PolarHBondContact O-N 3.11Å; K365-N368 CarbonylContact O-C 3.54Å; K365-N368 PolarHBondContact O-N 2.64Å; K365-N368 VanDerWaalsContact O-N 3.09Å
366S53Low79.6Confident116 Ų11677.5 Ų77.581%0.81140%0.398SS*.THydrogen-bonded Turntrans-48.1-35.1-172.450.70000115.3G364 N368G364-S366 PolarHBondContact O-N 3.34Å; S366-N368 VanDerWaalsContact C-N 3.32Å; S366-N368 PolarHBondContact O-N 3.27Å
367L49Very low79.5Confident157 Ų15772.8 Ų72.882%0.82238%0.376SS*.THydrogen-bonded Turntrans-71.5-14.9-176.9-71.9164.8000115.3K365K365-L367 PolarHBondContact O-N 3.11Å
368N54.4Low79.5Confident100 Ų10072 Ų7254%0.53537%0.368SS..  trans-155.2104.7174.4-88.7-53.6000111.4S363 K365 S366 E370S363-N368 VanDerWaalsContact CB-O 3.28Å; S363-N368 WeakPolarHBondContact CB-O 3.46Å; S363-N368 PolarHBondContact OG-O 2.81Å; S363-N368 VanDerWaalsContact OG-O 3.13Å; K365-N368 CarbonylContact O-C 3.54Å; K365-N368 PolarHBondContact O-N 2.64Å; K365-N368 VanDerWaalsContact O-N 3.09Å; S366-N368 VanDerWaalsContact C-N 3.32Å; S366-N368 PolarHBondContact O-N 3.27Å; N368-E370 HydrophobicContact CB-CG 4.31Å; N368-E370 PolarHBondContact O-N 3.21Å
369K67.6Low79.3Confident162 Ų16268.7 Ų68.770%0.70435%0.353SS*.  trans-75.655171.7-67.6-174.8178.6-179.30112.1
370E80.8Confident78.6Confident78 Ų7873.5 Ų73.536%0.36438%0.379SS..  trans-76.8127.8174.6-69.9179.1156.900110.9S363 N368 K372S363-E370 WeakPolarHBondContact CB-O 3.15Å; S363-E370 PolarHBondContact N-O 3.47Å; N368-E370 HydrophobicContact CB-CG 4.31Å; N368-E370 PolarHBondContact O-N 3.21Å; E370-K372 WeakPolarHBondContact OE2-CE 3.42Å; E370-K372 IonicContact OE2-NZ 2.84Å; E370-K372 PolarHBondContact OE2-NZ 3.21Å
371W83.4Confident77.9Confident72 Ų7275.1 Ų75.127%0.27339%0.389SS..EExtended strand (participates in β ladder)trans-77.8139.1162.8-69108.4000110.3M360 R362 E564 N576 E578M360-W371 HydrophobicContact CB-CE3 4.14Å; M360-W371 HydrophobicContact CE-CB 3.68Å; R362-W371 HydrophobicContact CB-CD2 3.95Å; R362-W371 HydrophobicContact CB-CE3 3.67Å; R362-W371 HydrophobicContact CB-CH2 3.98Å; R362-W371 HydrophobicContact CB-CZ2 4.26Å; R362-W371 HydrophobicContact CB-CZ3 3.68Å; R362-W371 HydrophobicContact CG-CD2 4.26Å; R362-W371 HydrophobicContact CG-CE3 4.48Å; R362-W371 VanDerWaalsContact N-CE3 3.26Å; W371-E564 HydrophobicContact CH2-CG 4.01Å; W371-E564 WeakPolarHBondContact CZ2-OE2 3.4Å; W371-N576 HydrophobicContact CH2-CB 4.15Å; W371-N576 HydrophobicContact CZ3-CB 4.47Å; W371-E578 HydrophobicContact CE3-CB 4.03Å; W371-E578 HydrophobicContact CH2-CB 3.68Å; W371-E578 HydrophobicContact CZ2-CB 4.26Å; W371-E578 HydrophobicContact CZ3-CB 3.54Å
372K88.3Confident77.5Confident107 Ų10774 Ų7447%0.46539%0.385SS..EExtended strand (participates in β ladder)trans-140.2131.3177.8-59.3-171.4-177.9-173.60110.3K361 E370K361-K372 PolarHBondContact N-O 3.06Å; K361-K372 PolarHBondContact O-N 3.46Å; E370-K372 WeakPolarHBondContact OE2-CE 3.42Å; E370-K372 IonicContact OE2-NZ 2.84Å; E370-K372 PolarHBondContact OE2-NZ 3.21Å
373K90.4Very high77.4Confident124 Ų12473.4 Ų73.454%0.53939%0.385SS..EExtended strand (participates in β ladder)trans-58.4136.3174.4-159.2164.8-171.9168.40109.6M358 L359 M360M358-K373 HydrophobicContact CB-CD 4.27Å; M358-K373 HydrophobicContact CB-CG 4.01Å; M358-K373 HydrophobicContact CG-CD 4.4Å; M358-K373 HydrophobicContact CG-CG 4.14Å; L359-K373 CarbonylContact O-C 3.6Å; M360-K373 HydrophobicContact SD-CB 4.03Å; M360-K373 PolarHBondContact SD-N 3.48Å; M360-K373 VanDerWaalsContact SD-N 3.45Å
374K91.5Very high78.1Confident48 Ų4871.5 Ų71.521%0.20937%0.372CS..EExtended strand (participates in β ladder)trans-137144.1178.8-68.7-63.2172.8-170.20109.2M358 L359 K361 V376 Y386 H387M358-K374 CarbonylContact C-O 3.45Å; M358-K374 VanDerWaalsContact CA-O 3.24Å; M358-K374 WeakPolarHBondContact CA-O 3.36Å; L359-K374 PolarHBondContact N-O 3.43Å; L359-K374 PolarHBondContact O-N 2.62Å; K361-K374 HydrophobicContact CB-CB 4.34Å; K361-K374 HydrophobicContact CB-CG 3.71Å; K361-K374 HydrophobicContact CG-CG 4.45Å; K374-V376 HydrophobicContact CB-CG2 4.36Å; K374-Y386 HydrophobicContact CD-CD2 4.45Å; K374-Y386 HydrophobicContact CG-CD2 4.26Å; K374-H387 WeakPolarHBondContact CA-O 3.5Å; K374-H387 WeakPolarHBondContact CD-O 3.3Å
375Y90.1Very high79.4Confident21 Ų2168.4 Ų68.48%0.08234%0.337CS..EExtended strand (participates in β ladder)trans-80.8127.4166-169.4-113.6000108.1Q356 G357 M358 T377 Y386 H387 L390 Y393Q356-Y375 PolarHBondContact OE1-OH 2.77Å; G357-Y375 WeakPolarHBondContact O-CA 3.46Å; G357-Y375 VanDerWaalsContact O-CD2 3.29Å; G357-Y375 WeakPolarHBondContact O-CD2 3.27Å; M358-Y375 HydrophobicContact CG-CD2 4.27Å; M358-Y375 HydrophobicContact SD-CD2 3.59Å; M358-Y375 VanDerWaalsContact SD-CD2 3.59Å; M358-Y375 HydrophobicContact SD-CE2 4.17Å; Y375-T377 HydrophobicContact CD1-CG2 3.91Å; Y375-T377 HydrophobicContact CE1-CG2 3.46Å; Y375-T377 VanDerWaalsContact CE1-CG2 3.46Å; Y375-Y386 CarbonylContact O-C 3.59Å; Y375-Y386 VanDerWaalsContact O-CA 3.27Å; Y375-Y386 WeakPolarHBondContact O-CA 3.36Å; Y375-H387 PolarHBondContact N-O 2.9Å; Y375-H387 PolarHBondContact O-N 3.18Å; Y375-L390 HydrophobicContact CD1-CD1 4.19Å; Y375-L390 HydrophobicContact CD2-CB 4.45Å; Y375-L390 HydrophobicContact CD2-CD1 4.49Å; Y375-L390 HydrophobicContact CE1-CD1 3.66Å; Y375-L390 HydrophobicContact CE2-CD1 4.01Å; Y375-L390 HydrophobicContact CG-CB 4.44Å; Y375-Y393 AromaticContact CD1-CD1 3.99Å; Y375-Y393 HydrophobicContact CD1-CD1 3.99Å; Y375-Y393 AromaticContact CD1-CG 3.85Å; Y375-Y393 HydrophobicContact CD1-CG 3.85Å; Y375-Y393 AromaticContact CE1-CD1 3.5Å; Y375-Y393 HydrophobicContact CE1-CD1 3.5Å; Y375-Y393 AromaticContact CE1-CE1 3.97Å; Y375-Y393 HydrophobicContact CE1-CE1 3.97Å; Y375-Y393 AromaticContact CE1-CG 3.83Å; Y375-Y393 HydrophobicContact CE1-CG 3.83Å
376V91.6Very high80.8Confident1 Ų161.6 Ų61.61%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-122.1135.3-175.3-176.40000108.5Q356 G357 L359 K374 L384 T385 F577 W588Q356-V376 VanDerWaalsContact CA-O 3.29Å; Q356-V376 WeakPolarHBondContact CA-O 3.38Å; G357-V376 PolarHBondContact N-O 2.86Å; G357-V376 PolarHBondContact O-N 2.66Å; L359-V376 HydrophobicContact CB-CG2 4Å; L359-V376 HydrophobicContact CD1-CB 4.36Å; L359-V376 HydrophobicContact CD1-CG1 4.42Å; L359-V376 HydrophobicContact CD1-CG2 4.16Å; L359-V376 HydrophobicContact CG-CG2 4.34Å; K374-V376 HydrophobicContact CB-CG2 4.36Å; V376-L384 HydrophobicContact CG1-CD1 3.66Å; V376-L384 HydrophobicContact CG1-CG 4.15Å; V376-T385 WeakPolarHBondContact CA-O 3.38Å; V376-F577 HydrophobicContact CG2-CE1 4.07Å; V376-W588 HydrophobicContact CB-CH2 4.19Å; V376-W588 HydrophobicContact CG1-CH2 4.08Å; V376-W588 HydrophobicContact CG1-CZ3 4.12Å
377T89.9Confident82.5Confident1 Ų156.5 Ų56.51%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-132.4132.6178.466.80000110P353 K355 Q356 Y375 T385 Y393P353-T377 HydrophobicContact CG-CG2 4.16Å; K355-T377 CarbonylContact O-C 3.46Å; K355-T377 WeakPolarHBondContact O-CA 3.32Å; Q356-T377 HydrophobicContact CB-CG2 4.06Å; Y375-T377 HydrophobicContact CD1-CG2 3.91Å; Y375-T377 HydrophobicContact CE1-CG2 3.46Å; Y375-T377 VanDerWaalsContact CE1-CG2 3.46Å; T377-T385 PolarHBondContact N-O 3.33Å; T377-T385 PolarHBondContact O-N 2.95Å; T377-T385 PolarHBondContact OG1-OG1 3.03Å; T377-Y393 HydrophobicContact CG2-CD2 4.16Å; T377-Y393 HydrophobicContact CG2-CE1 4.32Å; T377-Y393 HydrophobicContact CG2-CE2 3.81Å
378L89.1Confident84.4Confident0 Ų051.4 Ų51.40%025%0.247CC..EExtended strand (participates in β ladder)trans-108.2122.8174.6176.553.7000109.2P353 I354 K355 L384 L404 W588 V591 I592 Q595P353-L378 CarbonylContact C-O 3.57Å; P353-L378 VanDerWaalsContact CA-O 3.28Å; P353-L378 WeakPolarHBondContact CA-O 3.24Å; P353-L378 WeakPolarHBondContact CB-O 3.4Å; I354-L378 PolarHBondContact N-O 3.42Å; K355-L378 HydrophobicContact CB-CB 4.38Å; K355-L378 PolarHBondContact N-O 3.36Å; K355-L378 PolarHBondContact O-N 3.3Å; L378-L384 HydrophobicContact CB-CD1 3.78Å; L378-L384 HydrophobicContact CD1-CB 4.28Å; L378-L384 HydrophobicContact CD1-CD1 4.12Å; L378-L384 HydrophobicContact CG-CD1 4.44Å; L378-L404 HydrophobicContact CD1-CD1 3.44Å; L378-L404 VanDerWaalsContact CD1-CD1 3.44Å; L378-W588 HydrophobicContact CB-CZ3 4.37Å; L378-V591 HydrophobicContact CD2-CB 4.48Å; L378-V591 HydrophobicContact CD2-CG1 3.82Å; L378-I592 HydrophobicContact CD2-CG1 3.93Å; L378-Q595 HydrophobicContact CD1-CB 4.42Å; L378-Q595 HydrophobicContact CD1-CG 4.08Å; L378-Q595 HydrophobicContact CD2-CB 4.26Å
379C84.9Confident85.8Confident16 Ų1648.7 Ų48.711%0.10824%0.236CC..  trans-103.5156.5178.9-62.50000112.2N381 G382 L383C379-N381 VanDerWaalsContact C-N 3.26Å; C379-N381 WeakPolarHBondContact CB-OD1 3.36Å; C379-N381 PolarHBondContact O-N 2.88Å; C379-G382 PolarHBondContact O-N 3.34Å; C379-G382 VanDerWaalsContact O-N 3.09Å; C379-L383 PolarHBondContact N-O 2.76Å
380D76.8Confident86.4Confident104 Ų10445 Ų4556%0.55622%0.223SC*.THydrogen-bonded Turntrans-58.7-30.1177.260.5-22.3000114.5I354 G382 Q595I354-D380 HydrophobicContact CD1-CB 3.9Å; I354-D380 HydrophobicContact CG1-CB 4.37Å; D380-G382 PolarHBondContact O-N 3.24Å; D380-G382 VanDerWaalsContact O-N 3.11Å; D380-Q595 PolarHBondContact O-NE2 3.16Å
381N75.9Confident86.5Confident102 Ų10246.6 Ų46.655%0.54523%0.23SC..THydrogen-bonded Turntrans-69.65.717270.1-3.1000114.7C379 L383C379-N381 VanDerWaalsContact C-N 3.26Å; C379-N381 WeakPolarHBondContact CB-OD1 3.36Å; C379-N381 PolarHBondContact O-N 2.88Å; N381-L383 VanDerWaalsContact C-N 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.26Å; N381-L383 PolarHBondContact OD1-N 3.11Å
382G80.4Confident86.6Confident1 Ų144.8 Ų44.81%0.0123%0.226CC..SBendtrans78.813.3-179.200000114.5C379 D380 L404C379-G382 PolarHBondContact O-N 3.34Å; C379-G382 VanDerWaalsContact O-N 3.09Å; D380-G382 PolarHBondContact O-N 3.24Å; D380-G382 VanDerWaalsContact O-N 3.11Å; G382-L404 WeakPolarHBondContact O-CB 3.4Å; G382-L404 VanDerWaalsContact O-CG 3.31Å; G382-L404 WeakPolarHBondContact O-CG 3.45Å; G382-L404 PolarHBondContact O-N 3.36Å
383L86.8Confident86.3Confident40 Ų4040.9 Ų40.921%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-98.4121.6180-158.869.7000111.3C379 N381 T385 E401C379-L383 PolarHBondContact N-O 2.76Å; N381-L383 VanDerWaalsContact C-N 3.35Å; N381-L383 WeakPolarHBondContact OD1-CB 3.26Å; N381-L383 PolarHBondContact OD1-N 3.11Å; L383-T385 HydrophobicContact CD2-CG2 4.2Å; L383-T385 HydrophobicContact CG-CG2 4.31Å; L383-E401 HydrophobicContact CD1-CB 4.09Å; L383-E401 HydrophobicContact CD2-CB 4.36Å; L383-E401 HydrophobicContact CD2-CG 4.04Å; L383-E401 HydrophobicContact CG-CB 4.29Å; L383-E401 HydrophobicContact CG-CG 4.43Å
384L90.5Very high85.8Confident2 Ų240.9 Ų40.91%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-99.2112.4171.3-176.174.9000109.4V376 L378 I402 L404 I567 W588 I592V376-L384 HydrophobicContact CG1-CD1 3.66Å; V376-L384 HydrophobicContact CG1-CG 4.15Å; L378-L384 HydrophobicContact CB-CD1 3.78Å; L378-L384 HydrophobicContact CD1-CB 4.28Å; L378-L384 HydrophobicContact CD1-CD1 4.12Å; L378-L384 HydrophobicContact CG-CD1 4.44Å; L384-I402 HydrophobicContact CB-CB 4.33Å; L384-I402 HydrophobicContact CD2-CD1 4.35Å; L384-I402 PolarHBondContact N-O 3.2Å; L384-I402 PolarHBondContact O-N 3.05Å; L384-L404 HydrophobicContact CB-CD1 4.2Å; L384-L404 HydrophobicContact CB-CD2 4.02Å; L384-L404 HydrophobicContact CB-CG 4.11Å; L384-L404 HydrophobicContact CD2-CD2 4.39Å; L384-I567 HydrophobicContact CD2-CD1 3.25Å; L384-W588 HydrophobicContact CD1-CZ3 4.3Å; L384-I592 HydrophobicContact CD2-CD1 4.23Å
385T90.6Very high85.1Confident13 Ų1344.2 Ų44.28%0.0823%0.228CC..EExtended strand (participates in β ladder)trans-104.2149179.298.70000111.9V376 T377 L383 H387 K400 E401V376-T385 WeakPolarHBondContact CA-O 3.38Å; T377-T385 PolarHBondContact N-O 3.33Å; T377-T385 PolarHBondContact O-N 2.95Å; T377-T385 PolarHBondContact OG1-OG1 3.03Å; L383-T385 HydrophobicContact CD2-CG2 4.2Å; L383-T385 HydrophobicContact CG-CG2 4.31Å; T385-H387 PolarHBondContact OG1-CE1 2.77Å; T385-H387 VanDerWaalsContact OG1-CE1 3.23Å; T385-H387 PolarHBondContact OG1-ND1 3.38Å; T385-K400 CarbonylContact C-O 3.54Å; T385-K400 VanDerWaalsContact CA-O 3.25Å; T385-K400 WeakPolarHBondContact CA-O 3.25Å; T385-E401 HydrophobicContact CG2-CG 4.21Å
386Y91.4Very high84.4Confident28 Ų2848.7 Ų48.711%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-138.7133172.967.9-85000113.4K361 K374 Y375 K400 I402 F577K361-Y386 HydrophobicContact CD-CE2 4.27Å; K361-Y386 HydrophobicContact CG-CE2 4.47Å; K374-Y386 HydrophobicContact CD-CD2 4.45Å; K374-Y386 HydrophobicContact CG-CD2 4.26Å; Y375-Y386 CarbonylContact O-C 3.59Å; Y375-Y386 VanDerWaalsContact O-CA 3.27Å; Y375-Y386 WeakPolarHBondContact O-CA 3.36Å; Y386-K400 HydrophobicContact CD1-CB 4.05Å; Y386-K400 WeakPolarHBondContact CD1-O 3.49Å; Y386-K400 HydrophobicContact CD2-CB 4.33Å; Y386-K400 HydrophobicContact CE1-CB 3.61Å; Y386-K400 HydrophobicContact CE2-CB 3.93Å; Y386-K400 HydrophobicContact CE2-CD 4.09Å; Y386-K400 HydrophobicContact CE2-CG 4.43Å; Y386-K400 HydrophobicContact CG-CB 4.39Å; Y386-K400 PolarHBondContact N-O 2.95Å; Y386-K400 PolarHBondContact O-N 3.16Å; Y386-I402 HydrophobicContact CD1-CD1 4.15Å; Y386-I402 HydrophobicContact CD1-CG1 4.44Å; Y386-I402 HydrophobicContact CE1-CD1 3.92Å; Y386-I402 HydrophobicContact CE1-CG1 4.1Å; Y386-F577 HydrophobicContact CD1-CZ 4.3Å
387H89.8Confident83.3Confident9 Ų951.5 Ų51.54%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-122.4153.7-170.5-71.378000111.7K374 Y375 T385 S389 D392 Y393 G399K374-H387 WeakPolarHBondContact CA-O 3.5Å; K374-H387 WeakPolarHBondContact CD-O 3.3Å; Y375-H387 PolarHBondContact N-O 2.9Å; Y375-H387 PolarHBondContact O-N 3.18Å; T385-H387 PolarHBondContact OG1-CE1 2.77Å; T385-H387 VanDerWaalsContact OG1-CE1 3.23Å; T385-H387 PolarHBondContact OG1-ND1 3.38Å; H387-S389 VanDerWaalsContact C-N 3.3Å; H387-S389 PolarHBondContact O-N 3.24Å; H387-D392 HydrophobicContact CB-CB 4.32Å; H387-Y393 VanDerWaalsContact CD2-CA 3.46Å; H387-Y393 WeakPolarHBondContact CD2-CA 3.31Å; H387-Y393 AromaticContact CE1-CD2 3.69Å; H387-Y393 AromaticContact ND1-CD2 3.77Å; H387-G399 WeakPolarHBondContact CD2-CA 3.27Å; H387-G399 WeakPolarHBondContact NE2-CA 3.27Å
388P87.3Confident82.4Confident50 Ų5057.8 Ų57.833%0.32530%0.3SS..SBendtrans-59.9-34.8176.4-23.333.5000115D392 H398P388-D392 HydrophobicContact CB-CB 4.49Å; P388-D392 HydrophobicContact CG-CB 4.4Å; P388-D392 WeakPolarHBondContact CG-OD2 3.49Å; P388-H398 HydrophobicContact CG-CB 3.71Å
389S84.8Confident82.1Confident43 Ų4359.5 Ų59.530%0.30132%0.317SS..SBendtrans-149.7172.6174.477.80000110.8H387 H391 D392 Y393H387-S389 VanDerWaalsContact C-N 3.3Å; H387-S389 PolarHBondContact O-N 3.24Å; S389-H391 PolarHBondContact O-N 3.31Å; S389-H391 WeakPolarHBondContact OG-CB 3.35Å; S389-H391 PolarHBondContact OG-N 3.09Å; S389-D392 WeakPolarHBondContact CB-OD1 3.25Å; S389-D392 PolarHBondContact N-OD1 3.35Å; S389-D392 PolarHBondContact O-N 3.04Å; S389-D392 PolarHBondContact OG-N 3.22Å; S389-D392 VanDerWaalsContact OG-N 3.13Å; S389-D392 PolarHBondContact OG-OD1 3.11Å; S389-Y393 PolarHBondContact O-N 3.2Å
390L81.1Confident82.1Confident84 Ų8464.6 Ų64.644%0.4434%0.337SS..Hα-helixtrans-59.6-33.2167.5174.962.3000111.7Y375 Y393 M394Y375-L390 HydrophobicContact CD1-CD1 4.19Å; Y375-L390 HydrophobicContact CD2-CB 4.45Å; Y375-L390 HydrophobicContact CD2-CD1 4.49Å; Y375-L390 HydrophobicContact CE1-CD1 3.66Å; Y375-L390 HydrophobicContact CE2-CD1 4.01Å; Y375-L390 HydrophobicContact CG-CB 4.44Å; L390-Y393 HydrophobicContact CD1-CD1 4.22Å; L390-Y393 WeakPolarHBondContact O-CB 3.48Å; L390-Y393 PolarHBondContact O-N 2.99Å; L390-M394 HydrophobicContact CD1-CG 4.37Å; L390-M394 HydrophobicContact CG-SD 4.26Å; L390-M394 WeakPolarHBondContact O-CG 3.15Å; L390-M394 PolarHBondContact O-N 2.72Å
391H82.7Confident82.7Confident113 Ų11366.2 Ų66.252%0.52334%0.342SS..Hα-helixtrans-70.5-42.3-179.6-165.5-0.1000111.8S389 Y393 M394 Q395S389-H391 PolarHBondContact O-N 3.31Å; S389-H391 WeakPolarHBondContact OG-CB 3.35Å; S389-H391 PolarHBondContact OG-N 3.09Å; H391-Y393 VanDerWaalsContact C-N 3.31Å; H391-Y393 PolarHBondContact O-N 2.57Å; H391-M394 PolarHBondContact O-N 3.44Å; H391-Q395 VanDerWaalsContact CE1-CD 3.42Å; H391-Q395 PolarHBondContact CE1-NE2 3.25Å; H391-Q395 PolarHBondContact O-N 3.03Å
392D84.3Confident83.2Confident34 Ų3461.5 Ų61.518%0.18232%0.317CS..Hα-helixtrans-57.8-43.8172.4-6875.7000110.8H387 P388 S389 Q395 N396 V397 H398H387-D392 HydrophobicContact CB-CB 4.32Å; P388-D392 HydrophobicContact CB-CB 4.49Å; P388-D392 HydrophobicContact CG-CB 4.4Å; P388-D392 WeakPolarHBondContact CG-OD2 3.49Å; S389-D392 WeakPolarHBondContact CB-OD1 3.25Å; S389-D392 PolarHBondContact N-OD1 3.35Å; S389-D392 PolarHBondContact O-N 3.04Å; S389-D392 PolarHBondContact OG-N 3.22Å; S389-D392 VanDerWaalsContact OG-N 3.13Å; S389-D392 PolarHBondContact OG-OD1 3.11Å; D392-Q395 PolarHBondContact O-N 3.19Å; D392-N396 PolarHBondContact O-N 3.45Å; D392-V397 WeakPolarHBondContact CB-O 3.44Å; D392-V397 PolarHBondContact O-N 3.13Å; D392-H398 IonicContact OD2-CG 2.66Å; D392-H398 IonicContact OD2-ND1 2.62Å; D392-H398 PolarHBondContact OD2-ND1 3.23Å; D392-H398 VanDerWaalsContact OD2-ND1 3.08Å
393Y82.1Confident83.4Confident24 Ų2465 Ų659%0.09434%0.335CS..Hα-helixtrans-59.4-53.7173.4171-109.5000111.5R350 Y375 T377 H387 S389 L390 H391 Q395 N396R350-Y393 PolarHBondContact NH1-O 2.91Å; R350-Y393 PolarHBondContact NH2-O 2.75Å; Y375-Y393 AromaticContact CD1-CD1 3.99Å; Y375-Y393 HydrophobicContact CD1-CD1 3.99Å; Y375-Y393 AromaticContact CD1-CG 3.85Å; Y375-Y393 HydrophobicContact CD1-CG 3.85Å; Y375-Y393 AromaticContact CE1-CD1 3.5Å; Y375-Y393 HydrophobicContact CE1-CD1 3.5Å; Y375-Y393 AromaticContact CE1-CE1 3.97Å; Y375-Y393 HydrophobicContact CE1-CE1 3.97Å; Y375-Y393 AromaticContact CE1-CG 3.83Å; Y375-Y393 HydrophobicContact CE1-CG 3.83Å; T377-Y393 HydrophobicContact CG2-CD2 4.16Å; T377-Y393 HydrophobicContact CG2-CE1 4.32Å; T377-Y393 HydrophobicContact CG2-CE2 3.81Å; H387-Y393 VanDerWaalsContact CD2-CA 3.46Å; H387-Y393 WeakPolarHBondContact CD2-CA 3.31Å; H387-Y393 AromaticContact CE1-CD2 3.69Å; H387-Y393 AromaticContact ND1-CD2 3.77Å; S389-Y393 PolarHBondContact O-N 3.2Å; L390-Y393 HydrophobicContact CD1-CD1 4.22Å; L390-Y393 WeakPolarHBondContact O-CB 3.48Å; L390-Y393 PolarHBondContact O-N 2.99Å; H391-Y393 VanDerWaalsContact C-N 3.31Å; H391-Y393 PolarHBondContact O-N 2.57Å; Y393-Q395 PolarHBondContact O-N 3.16Å; Y393-Q395 VanDerWaalsContact O-N 3.16Å; Y393-N396 PolarHBondContact O-N 3.12Å
394M79.8Confident83.3Confident124 Ų12463 Ų6361%0.61133%0.325SS*.Hα-helixtrans-56.5-34.5179.5-71.3176.676.400112.8R350 L390 H391R350-M394 PolarHBondContact NH2-O 3.44Å; L390-M394 HydrophobicContact CD1-CG 4.37Å; L390-M394 HydrophobicContact CG-SD 4.26Å; L390-M394 WeakPolarHBondContact O-CG 3.15Å; L390-M394 PolarHBondContact O-N 2.72Å; H391-M394 PolarHBondContact O-N 3.44Å
395Q77.6Confident82.5Confident119 Ų11966.7 Ų66.756%0.55634%0.344SS*.Hα-helixtrans-86.7-5.7177.6-68.6-177.1-32.200114.9H391 D392 Y393 V397H391-Q395 VanDerWaalsContact CE1-CD 3.42Å; H391-Q395 PolarHBondContact CE1-NE2 3.25Å; H391-Q395 PolarHBondContact O-N 3.03Å; D392-Q395 PolarHBondContact O-N 3.19Å; Y393-Q395 PolarHBondContact O-N 3.16Å; Y393-Q395 VanDerWaalsContact O-N 3.16Å; Q395-V397 HydrophobicContact CB-CG2 3.86Å; Q395-V397 WeakPolarHBondContact O-CG2 3.46Å
396N74.2Confident81.7Confident115 Ų11572.5 Ų72.562%0.61536%0.364SS*.THydrogen-bonded Turntrans62.732.8-174.8-13552000115.2R350 D392 Y393R350-N396 PolarHBondContact NH1-OD1 3.02Å; R350-N396 VanDerWaalsContact NH2-CB 3.34Å; R350-N396 VanDerWaalsContact NH2-N 3.16Å; R350-N396 PolarHBondContact NH2-OD1 2.9Å; D392-N396 PolarHBondContact O-N 3.45Å; Y393-N396 PolarHBondContact O-N 3.12Å
397V69.5Low81.2Confident60 Ų6071.6 Ų71.636%0.36436%0.362SS..  trans-115.7145.5-175.9-160.10000110.5D392 Q395 G399D392-V397 WeakPolarHBondContact CB-O 3.44Å; D392-V397 PolarHBondContact O-N 3.13Å; Q395-V397 HydrophobicContact CB-CG2 3.86Å; Q395-V397 WeakPolarHBondContact O-CG2 3.46Å; V397-G399 PolarHBondContact O-N 3.44Å
398H71.6Confident80.9Confident133 Ų13374.3 Ų74.362%0.61638%0.379SS*.SBendtrans58.214.3177.9-48.4122.1000116.6P388 D392P388-H398 HydrophobicContact CG-CB 3.71Å; D392-H398 IonicContact OD2-CG 2.66Å; D392-H398 IonicContact OD2-ND1 2.62Å; D392-H398 PolarHBondContact OD2-ND1 3.23Å; D392-H398 VanDerWaalsContact OD2-ND1 3.08Å
399G81.4Confident80.9Confident35 Ų3572.8 Ų72.836%0.36137%0.369SS..  trans-58.4153.3171.100000112.9H387 V397H387-G399 WeakPolarHBondContact CD2-CA 3.27Å; H387-G399 WeakPolarHBondContact NE2-CA 3.27Å; V397-G399 PolarHBondContact O-N 3.44Å
400K86.4Confident81Confident123 Ų12376.4 Ų76.454%0.53538%0.379SS..EExtended strand (participates in β ladder)trans-138.4139.7170.2-69.9-163.6171.9-142.20109.7T385 Y386T385-K400 CarbonylContact C-O 3.54Å; T385-K400 VanDerWaalsContact CA-O 3.25Å; T385-K400 WeakPolarHBondContact CA-O 3.25Å; Y386-K400 HydrophobicContact CD1-CB 4.05Å; Y386-K400 WeakPolarHBondContact CD1-O 3.49Å; Y386-K400 HydrophobicContact CD2-CB 4.33Å; Y386-K400 HydrophobicContact CE1-CB 3.61Å; Y386-K400 HydrophobicContact CE2-CB 3.93Å; Y386-K400 HydrophobicContact CE2-CD 4.09Å; Y386-K400 HydrophobicContact CE2-CG 4.43Å; Y386-K400 HydrophobicContact CG-CB 4.39Å; Y386-K400 PolarHBondContact N-O 2.95Å; Y386-K400 PolarHBondContact O-N 3.16Å
401E88.2Confident81Confident139 Ų13973.5 Ų73.565%0.6537%0.365SS*.EExtended strand (participates in β ladder)trans-116149.7-168.3-64169.2-179.900110.6L383 T385L383-E401 HydrophobicContact CD1-CB 4.09Å; L383-E401 HydrophobicContact CD2-CB 4.36Å; L383-E401 HydrophobicContact CD2-CG 4.04Å; L383-E401 HydrophobicContact CG-CB 4.29Å; L383-E401 HydrophobicContact CG-CG 4.43Å; T385-E401 HydrophobicContact CG2-CG 4.21Å
402I87.1Confident80.6Confident3 Ų371 Ų712%0.01536%0.358CS..EExtended strand (participates in β ladder)trans-134.4109.3174.9-55.1172.9000106L384 Y386 L404 T407 I567 W575 F577L384-I402 HydrophobicContact CB-CB 4.33Å; L384-I402 HydrophobicContact CD2-CD1 4.35Å; L384-I402 PolarHBondContact N-O 3.2Å; L384-I402 PolarHBondContact O-N 3.05Å; Y386-I402 HydrophobicContact CD1-CD1 4.15Å; Y386-I402 HydrophobicContact CD1-CG1 4.44Å; Y386-I402 HydrophobicContact CE1-CD1 3.92Å; Y386-I402 HydrophobicContact CE1-CG1 4.1Å; I402-L404 HydrophobicContact CG2-CD2 4.31Å; I402-L404 PolarHBondContact O-N 2.95Å; I402-T407 HydrophobicContact CG2-CG2 4.07Å; I402-I567 HydrophobicContact CG2-CG2 4.3Å; I402-W575 HydrophobicContact CD1-CB 4.03Å; I402-W575 HydrophobicContact CD1-CD2 3.7Å; I402-W575 HydrophobicContact CD1-CE3 4.27Å; I402-W575 HydrophobicContact CD1-CG 3.57Å; I402-W575 HydrophobicContact CG1-CD2 4.11Å; I402-W575 HydrophobicContact CG1-CG 4.37Å; I402-W575 HydrophobicContact CG1-CZ2 4.25Å; I402-W575 HydrophobicContact CG2-CD2 4.47Å; I402-W575 HydrophobicContact CG2-CE3 4.15Å; I402-W575 HydrophobicContact CG2-CH2 4.12Å; I402-W575 HydrophobicContact CG2-CZ2 4.43Å; I402-W575 HydrophobicContact CG2-CZ3 3.97Å; I402-F577 HydrophobicContact CD1-CE2 4.15Å; I402-F577 HydrophobicContact CD1-CZ 4.15Å
403D83.8Confident79.4Confident73 Ų7373.4 Ų73.439%0.3939%0.391SS..EExtended strand (participates in β ladder)trans-66.3117.2168.616231.3000109.1L405 T407D403-L405 VanDerWaalsContact OD1-CB 3.28Å; D403-L405 WeakPolarHBondContact OD1-CB 3.33Å; D403-L405 PolarHBondContact OD1-N 3.17Å; D403-T407 WeakPolarHBondContact O-CG2 3.34Å
404L84.6Confident78.4Confident0 Ų077.4 Ų77.40%041%0.409CS..G310 helixtrans-81.5-22.6-177.3-64-179.9000113.9L378 G382 L384 I402 R406 T407 I592 Q595 I596L378-L404 HydrophobicContact CD1-CD1 3.44Å; L378-L404 VanDerWaalsContact CD1-CD1 3.44Å; G382-L404 WeakPolarHBondContact O-CB 3.4Å; G382-L404 VanDerWaalsContact O-CG 3.31Å; G382-L404 WeakPolarHBondContact O-CG 3.45Å; G382-L404 PolarHBondContact O-N 3.36Å; L384-L404 HydrophobicContact CB-CD1 4.2Å; L384-L404 HydrophobicContact CB-CD2 4.02Å; L384-L404 HydrophobicContact CB-CG 4.11Å; L384-L404 HydrophobicContact CD2-CD2 4.39Å; I402-L404 HydrophobicContact CG2-CD2 4.31Å; I402-L404 PolarHBondContact O-N 2.95Å; L404-R406 PolarHBondContact O-N 3.29Å; L404-T407 WeakPolarHBondContact CA-OG1 3.48Å; L404-T407 PolarHBondContact O-N 3.13Å; L404-T407 PolarHBondContact O-OG1 3.06Å; L404-I592 HydrophobicContact CD1-CG2 4.02Å; L404-I592 HydrophobicContact CD2-CG2 4.02Å; L404-Q595 HydrophobicContact CD1-CG 4.3Å; L404-I596 HydrophobicContact CB-CG1 3.87Å
405L73.4Confident76.4Confident79 Ų7982.8 Ų82.841%0.41442%0.423SS..G310 helixtrans-53-25.4-178.5-74.8159.1000112.9D403D403-L405 VanDerWaalsContact OD1-CB 3.28Å; D403-L405 WeakPolarHBondContact OD1-CB 3.33Å; D403-L405 PolarHBondContact OD1-N 3.17Å
406R73.9Confident74.5Confident134 Ų13482.8 Ų82.851%0.50643%0.433SS..G310 helixtrans-122.734.8-176.2-56-171.471-1450.8112L404 S569 L570L404-R406 PolarHBondContact O-N 3.29Å; R406-S569 CarbonylContact O-C 3.55Å; R406-S569 VanDerWaalsContact O-CA 3.31Å; R406-S569 WeakPolarHBondContact O-CA 3.19Å; R406-S569 PolarHBondContact O-OG 2.86Å; R406-L570 HydrophobicContact CB-CD1 4.01Å; R406-L570 HydrophobicContact CB-CG 4.38Å; R406-L570 HydrophobicContact CG-CD1 4.41Å; R406-L570 PolarHBondContact O-N 3.49Å
407T80.9Confident72.8Confident10 Ų1083.6 Ų83.66%0.06144%0.444CS..EExtended strand (participates in β ladder)trans-129.9166177.867.30000113.8I402 D403 L404 I567 V568 W575I402-T407 HydrophobicContact CG2-CG2 4.07Å; D403-T407 WeakPolarHBondContact O-CG2 3.34Å; L404-T407 WeakPolarHBondContact CA-OG1 3.48Å; L404-T407 PolarHBondContact O-N 3.13Å; L404-T407 PolarHBondContact O-OG1 3.06Å; T407-I567 HydrophobicContact CG2-CG2 3.87Å; T407-V568 CarbonylContact C-O 3.59Å; T407-V568 VanDerWaalsContact CA-O 3.25Å; T407-V568 WeakPolarHBondContact CA-O 3.36Å; T407-W575 HydrophobicContact CG2-CZ3 4.39Å
408T84.1Confident70.9Confident65 Ų6592.1 Ų92.140%0.39947%0.47SS..EExtended strand (participates in β ladder)trans-133.9145.317152.70000109V568T408-V568 PolarHBondContact N-O 2.88Å; T408-V568 PolarHBondContact O-N 3.08Å; T408-V568 PolarHBondContact OG1-O 2.81Å
409V87.9Confident68.9Low18 Ų1890.8 Ų90.811%0.10948%0.483CS..EExtended strand (participates in β ladder)trans-93.1146.1172.4-169.10000109.4F565 T566 V589 I592 E593 I596V409-F565 HydrophobicContact CG1-CD2 4.08Å; V409-T566 CarbonylContact C-O 3.51Å; V409-V589 HydrophobicContact CG1-CB 4.45Å; V409-V589 HydrophobicContact CG1-CG1 4Å; V409-V589 HydrophobicContact CG1-CG2 4.02Å; V409-I592 HydrophobicContact CG2-CB 4.17Å; V409-I592 HydrophobicContact CG2-CG2 3.44Å; V409-I592 VanDerWaalsContact CG2-CG2 3.44Å; V409-E593 HydrophobicContact CB-CG 4.13Å; V409-E593 HydrophobicContact CG2-CG 3.99Å; V409-I596 HydrophobicContact CG2-CD1 4.2Å
410K85.8Confident66.4Low120 Ų12096.1 Ų96.152%0.52251%0.507SS..EExtended strand (participates in β ladder)trans-138.7121176.6-60.7-171.5-176.4-176.90110.2T566 V568K410-T566 PolarHBondContact N-O 3.48Å; K410-T566 PolarHBondContact O-N 3.04Å; K410-V568 HydrophobicContact CD-CG2 3.93Å; K410-V568 HydrophobicContact CG-CG2 4.3Å
411V82.3Confident63.5Low22 Ų2296 Ų9613%0.13352%0.522CS..  trans-97126.5169.5-176.80000108.1K414 F565 V589V411-K414 HydrophobicContact CB-CD 4.41Å; V411-K414 HydrophobicContact CG1-CD 4.31Å; V411-K414 PolarHBondContact O-N 3.11Å; V411-F565 HydrophobicContact CG2-CB 4.4Å; V411-V589 HydrophobicContact CG2-CG1 4.24Å; V411-V589 HydrophobicContact CG2-CG2 3.82Å
412P74.2Confident60.6Low60 Ų6094.1 Ų94.139%0.3953%0.531SS..THydrogen-bonded Turntrans-53.9140.6174-24.735.3000111.8K414 E564P412-K414 VanDerWaalsContact C-N 3.31Å; P412-K414 PolarHBondContact O-N 3.01Å; P412-E564 WeakPolarHBondContact CD-O 3.14Å
413G59.2Low57.7Low85 Ų85100 Ų10088%0.87657%0.571SS**THydrogen-bonded Turntrans83.9-30.5178.100000116.3
414K59.6Low55Low109 Ų109102.4 Ų102.447%0.47459%0.593SS.*PPolyproline II helixtrans-80.2132.8177.1-66.9-175.7-179.51770111.1V411 P412 Y582 D586V411-K414 HydrophobicContact CB-CD 4.41Å; V411-K414 HydrophobicContact CG1-CD 4.31Å; V411-K414 PolarHBondContact O-N 3.11Å; P412-K414 VanDerWaalsContact C-N 3.31Å; P412-K414 PolarHBondContact O-N 3.01Å; K414-Y582 PolarHBondContact NZ-OH 3.33Å; K414-D586 IonicContact NZ-OD1 2.91Å; K414-D586 IonicContact NZ-OD2 2.86Å; K414-D586 PolarHBondContact NZ-OD2 3.37Å
415R38.1Very low52.2Low236 Ų236107.3 Ų107.389%0.89163%0.633SS**PPolyproline II helixtrans-81.1141174.4-64.2-176.2-173.2174.13.7110.3
416P38.2Very low50Low119 Ų119106.7 Ų106.777%0.77365%0.646SS**PPolyproline II helixtrans-62.7145.4173.4-21.933.4000112.4
417P38.1Very low47.9Very low132 Ų132106.7 Ų106.786%0.85766%0.664SS**PPolyproline II helixtrans-58.2142.5170.1-2434.6000112.2
418R31Very low45.3Very low239 Ų239114.1 Ų114.190%0.90270%0.703SS**PPolyproline II helixtrans-84.6127.8173.2-115.1-177.5-174.5175.81.9109.5V420R418-V420 PolarHBondContact O-N 3.5Å
419A28.7Very low42.6Very low106 Ų106120.2 Ų120.288%0.87673%0.727SS**PPolyproline II helixtrans-65.6125.6168.900000110.1
420V29.6Very low39.8Very low146 Ų146127.3 Ų127.389%0.88576%0.764SS**PPolyproline II helixtrans-98.1124.7171.2-93.50000109.2R418R418-V420 PolarHBondContact O-N 3.5Å
421S25.1Very low37Very low120 Ų120126.3 Ų126.384%0.83978%0.778SS**PPolyproline II helixtrans-87.9121.3177-170.80000109.8C423S421-C423 PolarHBondContact O-N 2.82Å
422A26.5Very low34.4Very low101 Ų101133.2 Ų133.284%0.83581%0.814SS**  trans-82.2112.3173.700000109.7
423C25.8Very low32.1Very low126 Ų126133.7 Ų133.785%0.85183%0.831SS**PPolyproline II helixtrans-78.3147.2175.645.40000111.9S421S421-C423 PolarHBondContact O-N 2.82Å
424S27.8Very low30.6Very low124 Ų124138.1 Ų138.187%0.86783%0.833SS**PPolyproline II helixtrans-78.6129.9-175.340.30000112.7
425A26.8Very low29.2Very low102 Ų102138.9 Ų138.984%0.84385%0.847SS**PPolyproline II helixtrans-82.3130166.700000110.2
426G26.5Very low28.7Very low66 Ų66137.3 Ų137.368%0.6885%0.846SS**PPolyproline II helixtrans-80160.9176.100000113.3
427P30.3Very low28.1Very low135 Ų135138.4 Ų138.488%0.87785%0.846SS**PPolyproline II helixtrans-76135.5178.231.7-34000111.4
428N25.7Very low27.7Very low166 Ų166140.3 Ų140.389%0.88885%0.845SS**  trans-114.7145.6175.7-130.2-1000110.5
429Q28.3Very low27.5Very low192 Ų192133.4 Ų133.490%0.89783%0.833SS**  trans-101.3156.8-177.6-63.8-175.81.600112
430N27.7Very low27.3Very low168 Ų168135.6 Ų135.690%0.89883%0.83SS**  trans-83.8140.4-173.8-65.2-32.8000113.6
431A27.3Very low27.2Very low98 Ų98134.1 Ų134.181%0.8182%0.822SS**  trans-159.1150.2146.200000112.7
432N28.7Very low27.3Very low167 Ų167135.6 Ų135.689%0.89382%0.815SS**  trans-57.3159.8-179.5-43.3-38.6000113.9
433G26Very low27.3Very low71 Ų71138.2 Ų138.273%0.73282%0.815SS**  cis125.9100.9-2.200000114.3
434L26.9Very low27.1Very low178 Ų178135.4 Ų135.493%0.93281%0.807SS**  trans-161.1175.5157.7-141.871.1000111.3
435V29.9Very low27.8Very low125 Ų125135 Ų13576%0.75880%0.801SS**  trans-133.3133.5-152.9-164.90000114
436K28.1Very low27.7Very low202 Ų202136.5 Ų136.588%0.87880%0.8SS**  trans-176.1139.8132.7-112.2-178.2176.4-176.70114.2
437D26.3Very low27.7Very low142 Ų142138.4 Ų138.476%0.75980%0.803SS**  trans-81.2156172.3-49.8-89000113.2
438M28.7Very low27.5Very low172 Ų172137 Ų13785%0.84780%0.803SS**  -173.7130.2116.1-104.9168.857.700115.2
439S26.9Very low27.5Very low94 Ų94133 Ų13366%0.65780%0.801SS**  trans48.3110.2143.863.30000122.9
440N24.2Very low27.4Very low152 Ų152129.2 Ų129.281%0.81380%0.796SS**  53.8118.5118.1-94.312.9000123.4
441V27.7Very low27.3Very low115 Ų115127.1 Ų127.170%0.69779%0.788SS**  79.1118.9117.51700000120.9
442Q26.5Very low27.1Very low152 Ų152127.3 Ų127.371%0.7178%0.784SS**  trans107.4123.3141.3-141.462-0.400122.1
443L26.7Very low27Very low156 Ų156124.6 Ų124.682%0.81778%0.778SS**  trans49.6141.8152-70.4168.2000122.3
444G21.4Very low27Very low67 Ų67126.8 Ų126.869%0.69178%0.782SS**  trans-93.8-153.4160.400000112.1
445P42.4Very low26.9Very low116 Ų116122.8 Ų122.875%0.75378%0.775SS**  cis-136.9-162.714.937.1-14.8000114.8
446T25.3Very low26.7Very low133 Ų133122.4 Ų122.482%0.81678%0.778SS**  trans70152.2170.367.40000117.2
447S26.5Very low26.6Very low105 Ų105117.5 Ų117.573%0.73478%0.775SS**  cis-164.8151.2-19.1460000111.7
448A26.8Very low26.7Very low106 Ų106115.3 Ų115.388%0.87677%0.77SS**  trans44.9121.4154.100000121.5
449G25.3Very low26.8Very low83 Ų83115.1 Ų115.186%0.85677%0.767SS**  trans-174.9147.3164.900000111.2
450S25.8Very low26.8Very low112 Ų112118.2 Ų118.278%0.78377%0.774SS**  trans-141-176.8-170.564.80000114
451V25.8Very low27Very low123 Ų123115.9 Ų115.975%0.74578%0.775SS**  trans73.9101167.1-61.50000121.9
452S24.2Very low27.1Very low102 Ų102116.1 Ų116.171%0.71378%0.782SS**  75.9108.3110.9-53.20000123.7
453S24.8Very low27.1Very low110 Ų110112.2 Ų112.277%0.76978%0.782SS**  58.1118.6123.168.90000123.5
454S25.9Very low27.2Very low118 Ų118111 Ų11183%0.82578%0.781SS**  179.8144.9120.336.40000109.2
455A25.6Very low27.4Very low93 Ų93112.4 Ų112.477%0.76978%0.781SS**  cis107.8105.214.200000114.8
456S25.7Very low26.7Very low118 Ų118114.2 Ų114.283%0.82578%0.783SS**  trans-168126.3156.4-77.30000106.8
457A25.9Very low26.8Very low98 Ų98113.6 Ų113.681%0.8178%0.779SS**  71.2134.359.100000111.8
458S28.7Very low26.8Very low96 Ų96113.1 Ų113.167%0.67178%0.776SS**  cis-155.9146.431.455.50000112.6
459Q30Very low26.7Very low168 Ų168117.5 Ų117.579%0.78578%0.775SS**  73.6149.4110.5-68.4-179.510.400116.8
460M26.9Very low26.8Very low160 Ų160120.1 Ų120.179%0.78877%0.77SS**  cis-128.8154.32.9-69.9-170-171.400109.3
461A28.9Very low26.9Very low102 Ų102119.5 Ų119.584%0.84377%0.765SS**  cis75.8136.845.100000114.2
462S30.2Very low27Very low121 Ų121125.2 Ų125.285%0.84677%0.773SS**  cis-144.5-176-3.166.30000109.3
463G26.8Very low27.2Very low69 Ų69123.9 Ų123.971%0.71178%0.776SS**  cis-162-128.212.700000109.6
464V28Very low27.3Very low132 Ų132125.6 Ų125.680%0.878%0.776SS**  cis-153.3128.2-1.6179.40000110.6
465S25.4Very low27.4Very low96 Ų96128.4 Ų128.467%0.67178%0.776SS**  trans33.4117.6152.2-52.50000126.8
466L28.4Very low27.5Very low153 Ų153127.5 Ų127.580%0.80178%0.775SS**  68166.8126.8-59.5177.1000119.6
467V26.5Very low27.6Very low120 Ų120129.1 Ų129.173%0.72777%0.774SS**  cis-152.4178.2-5.9-110.60000108.7
468S27.2Very low27.7Very low96 Ų96131.8 Ų131.867%0.67177%0.769SS**  157.597.5-58-75.70000113.1
469F24.5Very low27.5Very low197 Ų197133.8 Ų133.886%0.86477%0.768SS**  trans-153.1115.7165.1-96.8-61.2000116.4
470N28.2Very low27.3Very low139 Ų139136.5 Ų136.574%0.74377%0.771SS**  trans43.9145.6133.9-69.31.9000123.9
471S27Very low27.1Very low98 Ų98133.2 Ų133.269%0.68576%0.764SS**  cis-168.1-160.2-10.5-77.60000107.8
472R29.1Very low26.9Very low244 Ų244138.8 Ų138.892%0.92176%0.764SS**  cis-164.8125.98.8-159.5-174.4-166.6-179.64.1114.1
473G26.6Very low26.6Very low74 Ų74138 Ų13876%0.76376%0.759SS**  trans73.7162.2153.100000119
474L27Very low26.5Very low146 Ų146140.9 Ų140.976%0.76476%0.763SS**  cis-161.2139.2-4.5-173.368.1000110.9
475E28.6Very low26.3Very low177 Ų177139.4 Ų139.483%0.82776%0.758SS**  trans35.5148.7156.4-63.8162169.800121.4
476G26.9Very low26.2Very low74 Ų74140.2 Ų140.276%0.76376%0.764SS**  cis164.4-179.26.800000108
477L28.7Very low26.1Very low151 Ų151137 Ų13779%0.79176%0.76SS**  cis-166.8167.7-14.2-173.160.6000107.6
478H28Very low26.1Very low155 Ų155137 Ų13772%0.71876%0.756SS**  trans68.5160.3176.1-62.6-93.9000117.8
479Q25.6Very low26Very low138 Ų138139.6 Ų139.665%0.64576%0.757SS**  cis-169.9143.4-34.7-178.1161.323.900111.4
480R25.1Very low26.1Very low224 Ų224141.1 Ų141.185%0.84576%0.757SS**  trans71.1134.5161.5-85.7169.7-176.4167.90.9121.4
481S23.4Very low26.2Very low91 Ų91139.2 Ų139.264%0.63676%0.761SS**  trans-67.5165.7155-34.30000111.2
482Y23.8Very low26Very low219 Ų219142 Ų14286%0.85977%0.768SS**  cis-154.5175.543.8-80.4-88.6000113.9
483S24.3Very low25.8Very low104 Ų104134.3 Ų134.373%0.72776%0.756SS**  trans-39.9167.5162.7-29.50000116.5
484V23.9Very low25.9Very low131 Ų131137.4 Ų137.479%0.79476%0.761SS**  cis-153.316614.9-150.80000110.7
485S23.4Very low25.8Very low100 Ų100136.5 Ų136.570%0.69976%0.761SS**  trans97.8142.6143.6-640000123.1
486S25Very low25.6Very low113 Ų113136.3 Ų136.379%0.7976%0.763SS**  trans66.7107.5148.150.60000123
487A24.4Very low25.6Very low87 Ų87136.5 Ų136.572%0.71976%0.758SS**  77.9126.2122.100000123.3
488D27Very low25.6Very low120 Ų120136.6 Ų136.664%0.64276%0.759SS**  trans71.5111.6142.3-77.8-55.7000123.8
489Q26.2Very low25.6Very low149 Ų149135.3 Ų135.370%0.69677%0.768SS**  trans72.2172.2138.8-55.7163.638.200116.3
490W26Very low25.6Very low230 Ų230132 Ų13287%0.87177%0.771SS**  cis-136.2-167.58.8-31.7-92.2000113.5
491A29.4Very low25.7Very low99 Ų99128.4 Ų128.482%0.81877%0.773SS**  trans-93.2-180-177.700000114.4
492D23.8Very low25.8Very low157 Ų157129.1 Ų129.184%0.8478%0.778SS**  trans-128.7123.5164.4-117.7-21.9000107.7
493A25.6Very low26.1Very low81 Ų81124.5 Ų124.567%0.66977%0.773SS**  86.5149.295.100000113.5
494T27.3Very low26.4Very low140 Ų140125.5 Ų125.586%0.85977%0.77SS**  cis-144.1167.627.8-53.30000112.8
495V26.3Very low26.6Very low127 Ų127125.7 Ų125.777%0.7777%0.772SS**  trans-116.5149.2-175.8173.60000111.9
496I24.5Very low26.7Very low172 Ų172124.1 Ų124.188%0.88277%0.772SS**  trans-158.9163148.6-81.6-140000109
497A26.6Very low27.1Very low78 Ų78127.8 Ų127.865%0.64578%0.781SS**  trans-140.9170.7-16500000117.3
498N27.6Very low27.3Very low154 Ų154126.7 Ų126.782%0.82478%0.778SS**  trans85.9133.4151-74.7-5.8000124.9
499S29.2Very low27.3Very low127 Ų127128.7 Ų128.789%0.88879%0.789SS**  trans91.6135.1140.474.70000122.6
500G25.6Very low27.5Very low69 Ų69126.3 Ų126.371%0.71179%0.788SS**  trans140.797.9143.400000121.6
501V26Very low27.6Very low148 Ų148121.1 Ų121.190%0.89778%0.782SS**  trans74.1157140.8-168.70000120.3
502S25.3Very low27.5Very low107 Ų107121.7 Ų121.775%0.74878%0.779SS**  trans-138.1-174.7-173.5-52.60000110.1
503T30.6Very low27.7Very low121 Ų121118.7 Ų118.774%0.74277%0.77SS**  cis-136.3-145.618.346.80000110.6
504D30.1Very low27.6Very low126 Ų126120.2 Ų120.267%0.67478%0.776SS**  cis-165.5176.15.7-138.4-58.5000113.7
505T29.5Very low28.6Very low135 Ų135118.4 Ų118.483%0.82877%0.767SS**  trans62.6146.7168.562.60000119.4
506G25.8Very low28.7Very low67 Ų67117.1 Ų117.169%0.69176%0.763SS**  cis167.4138.3-1300000114.5
507L32Very low29Very low190 Ų190116 Ų116100%0.99576%0.758SS**  trans67152.3170.6-49.2176.6000117.6
508G28.5Very low29Very low63 Ų63117.2 Ų117.265%0.64976%0.761SS**  cis-176.7168.3-4.800000113.4
509D26.7Very low29Very low163 Ų163114.4 Ų114.487%0.87275%0.753SS**  trans59.3132.8172.5-56.8-29.4000120.1
510S31.6Very low28.8Very low98 Ų98114 Ų11469%0.68575%0.745SS**  cis84.2135.233.2-149.90000112.8
511V27.9Very low28.9Very low122 Ų122117.2 Ų117.274%0.73975%0.752SS**  cis-155.5145.348.6-83.70000115.7
512C27.3Very low29Very low110 Ų110115.6 Ų115.674%0.74375%0.747SS**  trans47.9158.6131.2-58.80000124.8
513S27.6Very low29.9Very low95 Ų95116 Ų11666%0.66475%0.747SS**  cis-178.6133.9-25.7-91.30000112
514S23.4Very low29.6Very low112 Ų112118.9 Ų118.978%0.78375%0.749SS**  trans56177.1131.5-60.10000122.4
515P49.1Very low29.4Very low103 Ų103119 Ų11967%0.66975%0.747SS**  cis-139.7179.8-48.237-19.5000115.9
516S28.5Very low29.1Very low99 Ų99120.5 Ų120.569%0.69275%0.745SS**  trans69.3157.6140.868.70000120.9
517I29.3Very low29.8Very low150 Ų150122.2 Ų122.277%0.76974%0.744SS**  cis-164.3162.2-10.633.1170.6000111.2
518S27.2Very low30.3Very low103 Ų103118.6 Ų118.672%0.7273%0.732SS**  trans62155.1150.350.20000121.4
519S27.8Very low30.4Very low94 Ų94121.2 Ų121.266%0.65774%0.737SS**  cis-171173.7-23.957.90000112.3
520T25.8Very low30.7Very low118 Ų118118.7 Ų118.772%0.72473%0.733SS**  trans77.1138.9147.234.80000124.4
521T27.2Very low30.9Very low138 Ų138119.9 Ų119.985%0.84774%0.738SS**  trans76.2124.315044.40000124
522S28.4Very low31Very low113 Ų113123.1 Ų123.179%0.7974%0.744SS**  trans-92.2-172.2162.3-38.10000110.2
523P44.2Very low31Very low116 Ų116122.8 Ų122.875%0.75375%0.75SS**  cis-149.4-177.215.745.3-24.1000120
524K24.3Very low31.2Very low181 Ų181126 Ų12679%0.78776%0.76SS**  trans74.9123.4146.7-87.5-160.8164.1-162.80124.8
525M24.9Very low31.6Very low129 Ų129132.5 Ų132.564%0.63577%0.767SS**  trans78.5109.5130.3-65-175.491.700124.6
526E23Very low30.8Very low167 Ų167137.3 Ų137.378%0.7878%0.777SS**  86160.7125.9-76.9-147.290.300123.2
527P42.1Very low30.8Very low102 Ų102142.3 Ų142.366%0.66279%0.787SS**  trans-110.1-153.9-147.747.4-40.2000112.3
528P42Very low31.1Very low115 Ų115144.6 Ų144.675%0.74779%0.794SS**  cis-124.6-145.5-1044.3-25.7000110.2
529P31.1Very low31.1Very low118 Ų118151.3 Ų151.377%0.76680%0.803SS**  cis-126.9-174.4-17.941.6-24.9000114.5
530S31.5Very low31.2Very low110 Ų110157.7 Ų157.777%0.76981%0.813SS**  trans-91.8153.5170.357.90000112.9
531P36.8Very low31.5Very low123 Ų123162.2 Ų162.280%0.79982%0.822SS**  -140173.4120.637.4-25.4000114.6
532H29.1Very low31.5Very low189 Ų189164.9 Ų164.988%0.87582%0.822SS**  trans-68.5145.1-172.9-70.8-100.9000115.6
533A28.4Very low31.5Very low104 Ų104163.8 Ų163.886%0.8682%0.815SS**  trans-146.4119.8148.800000111.4
534N31.4Very low31.1Very low162 Ų162164.6 Ų164.687%0.86682%0.818SS**  trans-77.1132176.6-98.8-48.9000111.7
535R30.8Very low31.2Very low248 Ų248161.6 Ų161.694%0.93682%0.82SS**  trans-160.7132.8149-113.8158.879.81541.5114.3
536K33.7Very low31.3Very low204 Ų204162.5 Ų162.589%0.88783%0.827SS**  trans-56.4139.2175.8-68.6173.4174174.30112.5
537K27.9Very low31.5Very low204 Ų204164.8 Ų164.889%0.88784%0.835SS**  -167.6159.5124.9-105.4164-174.6-175.90112.2
538H36Very low30.9Very low199 Ų199169.6 Ų169.692%0.92185%0.845SS**  trans-61.4143.9-177-73-120.1000112.6
539R27.5Very low30.3Very low244 Ų244168 Ų16892%0.92184%0.842SS**  trans-128.9116.7159.8-170.8169.1175.9175.3-3.3111.5
540R29.7Very low30.2Very low228 Ų228170.3 Ų170.386%0.8685%0.848SS**  trans-71.8127.8175.5-174.7-179.7-173.8177.52.3109.5
541K31.2Very low29.9Very low212 Ų212168.4 Ų168.492%0.92285%0.845SS**  trans-78.7138.2172.5-78.2-171.5176.4-176.90111.1
542K27.6Very low29.6Very low194 Ų194170.7 Ų170.784%0.84385%0.85SS**  trans-173137.5163.1-174.3175.5-177.1-179.30107.5
543S29.1Very low29.5Very low91 Ų91167.8 Ų167.864%0.63685%0.851SS**  cis-158.4159.3-21.845.50000110
544T34.4Very low29.4Very low132 Ų132166.7 Ų166.781%0.8185%0.85SS**  trans-25141.6164.251.40000119
545S26.9Very low29.5Very low119 Ų119165.8 Ų165.883%0.83285%0.85SS**  trans-158.1146.1146.855.20000110.8
546N28.1Very low29.6Very low147 Ų147158.4 Ų158.479%0.78684%0.842SS**  trans-87.8163-166.7-50.3-10.3000114
547F27.3Very low29.7Very low216 Ų216157.3 Ų157.395%0.94784%0.84SS**  trans-141.3167.5145.2-101.4-80.6000110.3
548K29.3Very low30.1Very low202 Ų202156.7 Ų156.788%0.87884%0.84SS**  trans-145170.4-179.2-122.2-167.7-179.5-166.30109.9
549A29.2Very low30.2Very low83 Ų83155.1 Ų155.169%0.68683%0.834SS**  trans73.9140.3-172.900000114.5
550D28.3Very low31.1Very low166 Ų166152 Ų15289%0.88883%0.83SS**  cis-158.3159.4-14.7-102-27.9000109.3
551G25.5Very low32.2Very low69 Ų69148.3 Ų148.371%0.71182%0.822SS**  trans120.995.4161.500000118.4
552L29.7Very low33.9Very low171 Ų171141.4 Ų141.490%0.89580%0.795SS**  trans31.7134.9141.5-69.1163.9000122.6
553S27.8Very low36.6Very low129 Ų129135 Ų13590%0.90277%0.767SS**  trans78135.4163.478.90000117.5
554G25.9Very low39.4Very low80 Ų80131.8 Ų131.883%0.82574%0.742SS**  trans138.7117.9-175.300000111.2
555T34.5Very low42.1Very low144 Ų144125.6 Ų125.688%0.88370%0.704SS**  trans-78166.3172.844.30000112
556A32.2Very low45.1Very low92 Ų92120.8 Ų120.876%0.7667%0.67SS**  trans81.199.6-177.700000114.5E558A556-E558 PolarHBondContact O-N 3.16Å
557E35.3Very low48.1Very low182 Ų182113.8 Ų113.885%0.8563%0.633SS**  trans-70.4114.8155.5-67.1-173.9145.400108Q559E557-Q559 PolarHBondContact O-N 3.44Å
558E37.3Very low50.9Low190 Ų190104.7 Ų104.789%0.88859%0.594SS**  trans-65.299.7164.8-67.6-176.1142.800108.3A556 E560A556-E558 PolarHBondContact O-N 3.16Å; E558-E560 PolarHBondContact O-N 3.1Å; E558-E560 VanDerWaalsContact O-N 3.17Å
559Q38.4Very low53.5Low167 Ų16795.9 Ų95.978%0.7856%0.558SS**  trans-65.1114.6164.6-69.7-172.93.400107.6E557 E561E557-Q559 PolarHBondContact O-N 3.44Å; Q559-E561 PolarHBondContact O-N 2.84Å
560E46.2Very low55.5Low179 Ų17997.9 Ų97.984%0.83656%0.557SS**  trans-58.1103.8167.6-70-171.9134.800108E558 N562E558-E560 PolarHBondContact O-N 3.1Å; E558-E560 VanDerWaalsContact O-N 3.17Å; E560-N562 VanDerWaalsContact C-N 3.26Å; E560-N562 PolarHBondContact O-N 3.15Å
561E52.3Low57.8Low149 Ų14993.9 Ų93.970%0.69654%0.539SS*.  trans-65.984.7-178.7-68-167.9150.900110.3Q559 F563Q559-E561 PolarHBondContact O-N 2.84Å; E561-F563 HydrophobicContact CB-CE1 4.01Å; E561-F563 HydrophobicContact CB-CE2 4.21Å; E561-F563 HydrophobicContact CB-CZ 3.62Å; E561-F563 VanDerWaalsContact O-CD2 3.29Å; E561-F563 WeakPolarHBondContact O-CD2 3.49Å; E561-F563 VanDerWaalsContact O-CE2 3.27Å; E561-F563 WeakPolarHBondContact O-CE2 3.34Å; E561-F563 PolarHBondContact O-N 3.12Å
562N67.6Low60.2Low68 Ų6893.2 Ų93.236%0.36453%0.532SS..  trans-84.393.2-164.9-155.5-17.7000110.8E560 E564 R585E560-N562 VanDerWaalsContact C-N 3.26Å; E560-N562 PolarHBondContact O-N 3.15Å; N562-E564 PolarHBondContact O-N 2.79Å; N562-E564 VanDerWaalsContact O-N 3.17Å; N562-E564 VanDerWaalsContact OD1-CB 3.26Å; N562-E564 WeakPolarHBondContact OD1-CB 3.39Å; N562-E564 PolarHBondContact OD1-N 2.97Å; N562-R585 PolarHBondContact O-NH1 3.19Å
563F83.6Confident62.7Low59 Ų5990.7 Ų90.726%0.25952%0.515SS..  trans-71.53.1176.5-45.8-62.7000113.4E561 A579E561-F563 HydrophobicContact CB-CE1 4.01Å; E561-F563 HydrophobicContact CB-CE2 4.21Å; E561-F563 HydrophobicContact CB-CZ 3.62Å; E561-F563 VanDerWaalsContact O-CD2 3.29Å; E561-F563 WeakPolarHBondContact O-CD2 3.49Å; E561-F563 VanDerWaalsContact O-CE2 3.27Å; E561-F563 WeakPolarHBondContact O-CE2 3.34Å; E561-F563 PolarHBondContact O-N 3.12Å; F563-A579 PolarHBondContact O-N 2.74Å; F563-A579 VanDerWaalsContact O-N 3.16Å
564E87.9Confident65.5Low24 Ų2488.2 Ų88.211%0.11250%0.495CS..EExtended strand (participates in β ladder)trans-73.6138.1175.5-176.8170.3165.700112.6R362 W371 P412 N562 N576 F577R362-E564 IonicContact CZ-OE1 3.85Å; R362-E564 VanDerWaalsContact CZ-OE1 3.23Å; R362-E564 IonicContact CZ-OE2 3.23Å; R362-E564 VanDerWaalsContact NH1-CD 3.26Å; R362-E564 IonicContact NH1-OE1 2.65Å; R362-E564 PolarHBondContact NH1-OE1 3.3Å; R362-E564 VanDerWaalsContact NH1-OE1 3.08Å; R362-E564 IonicContact NH1-OE2 3.08Å; R362-E564 PolarHBondContact NH1-OE2 3.13Å; R362-E564 IonicContact NH2-OE1 3.08Å; R362-E564 PolarHBondContact NH2-OE1 2.79Å; R362-E564 IonicContact NH2-OE2 2.77Å; W371-E564 HydrophobicContact CH2-CG 4.01Å; W371-E564 WeakPolarHBondContact CZ2-OE2 3.4Å; P412-E564 WeakPolarHBondContact CD-O 3.14Å; N562-E564 PolarHBondContact O-N 2.79Å; N562-E564 VanDerWaalsContact O-N 3.17Å; N562-E564 VanDerWaalsContact OD1-CB 3.26Å; N562-E564 WeakPolarHBondContact OD1-CB 3.39Å; N562-E564 PolarHBondContact OD1-N 2.97Å; E564-N576 WeakPolarHBondContact OE1-CB 3.5Å; E564-N576 PolarHBondContact OE1-ND2 3.31Å; E564-F577 CarbonylContact C-O 3.53Å; E564-F577 VanDerWaalsContact CA-O 3.25Å; E564-F577 WeakPolarHBondContact CA-O 3.5Å
565F91.3Very high68.6Low1 Ų185.9 Ų85.90%0.00446%0.461CS..EExtended strand (participates in β ladder)trans-131.1154.1160.870.3-82.6000110.3L359 V409 V411 I567 F577 R585 W588 V589 I592L359-F565 HydrophobicContact CD1-CE1 3.96Å; L359-F565 HydrophobicContact CD1-CZ 3.7Å; L359-F565 HydrophobicContact CD2-CE1 4.36Å; V409-F565 HydrophobicContact CG1-CD2 4.08Å; V411-F565 HydrophobicContact CG2-CB 4.4Å; F565-I567 HydrophobicContact CD2-CG1 4.46Å; F565-I567 HydrophobicContact CE2-CD1 4.41Å; F565-I567 HydrophobicContact CE2-CG1 4.3Å; F565-F577 HydrophobicContact CD1-CB 4.02Å; F565-F577 HydrophobicContact CD2-CB 4.46Å; F565-F577 HydrophobicContact CE1-CB 3.57Å; F565-F577 HydrophobicContact CE2-CB 4.04Å; F565-F577 HydrophobicContact CE2-CD2 4.23Å; F565-F577 HydrophobicContact CE2-CG 4.43Å; F565-F577 HydrophobicContact CG-CB 4.46Å; F565-F577 HydrophobicContact CZ-CB 3.59Å; F565-F577 HydrophobicContact CZ-CD2 4.4Å; F565-F577 HydrophobicContact CZ-CG 4.16Å; F565-F577 PolarHBondContact N-O 2.92Å; F565-F577 PolarHBondContact O-N 3.35Å; F565-F577 VanDerWaalsContact O-O 3.05Å; F565-R585 HydrophobicContact CB-CG 4.33Å; F565-R585 HydrophobicContact CD1-CG 3.96Å; F565-W588 HydrophobicContact CE1-CB 4.25Å; F565-W588 HydrophobicContact CZ-CB 4.06Å; F565-V589 HydrophobicContact CB-CG2 3.95Å; F565-V589 HydrophobicContact CD2-CG2 4.22Å; F565-V589 HydrophobicContact CG-CG2 4.04Å; F565-I592 HydrophobicContact CE2-CD1 3.79Å; F565-I592 HydrophobicContact CZ-CD1 4.24Å
566T89.8Confident71.3Confident19 Ų1980.2 Ų80.212%0.11743%0.426CS..EExtended strand (participates in β ladder)trans-126.1125.2-176.7-55.70000110.9V409 K410 V568 W575 N576V409-T566 CarbonylContact C-O 3.51Å; K410-T566 PolarHBondContact N-O 3.48Å; K410-T566 PolarHBondContact O-N 3.04Å; T566-V568 HydrophobicContact CG2-CG2 3.89Å; T566-W575 WeakPolarHBondContact CA-O 3.45Å; T566-N576 WeakPolarHBondContact CG2-ND2 3.41Å; T566-N576 PolarHBondContact OG1-ND2 2.67Å
567I90.5Very high74.2Confident0 Ų075.9 Ų75.90%039%0.39CS..EExtended strand (participates in β ladder)trans-89.1133.2167.7-54.2178.8000108.1L384 I402 T407 F565 T574 W575 F577 I592L384-I567 HydrophobicContact CD2-CD1 3.25Å; I402-I567 HydrophobicContact CG2-CG2 4.3Å; T407-I567 HydrophobicContact CG2-CG2 3.87Å; F565-I567 HydrophobicContact CD2-CG1 4.46Å; F565-I567 HydrophobicContact CE2-CD1 4.41Å; F565-I567 HydrophobicContact CE2-CG1 4.3Å; I567-T574 CarbonylContact O-C 3.49Å; I567-T574 WeakPolarHBondContact O-CA 3.41Å; I567-W575 HydrophobicContact CB-CE3 4.25Å; I567-W575 HydrophobicContact CG2-CE3 4.15Å; I567-W575 PolarHBondContact N-O 2.94Å; I567-W575 PolarHBondContact O-N 3.2Å; I567-F577 HydrophobicContact CD1-CD2 4.29Å; I567-F577 HydrophobicContact CD1-CE2 3.98Å; I567-F577 HydrophobicContact CG1-CD2 4.47Å; I567-F577 HydrophobicContact CG1-CE2 4.48Å; I567-I592 HydrophobicContact CD1-CD1 4.21Å
568V86.7Confident76.9Confident24 Ų2469.9 Ų69.915%0.14536%0.361CS..EExtended strand (participates in β ladder)trans-128117.8-177.3-175.40000109.7T407 T408 K410 T566 Q573 T574T407-V568 CarbonylContact C-O 3.59Å; T407-V568 VanDerWaalsContact CA-O 3.25Å; T407-V568 WeakPolarHBondContact CA-O 3.36Å; T408-V568 PolarHBondContact N-O 2.88Å; T408-V568 PolarHBondContact O-N 3.08Å; T408-V568 PolarHBondContact OG1-O 2.81Å; K410-V568 HydrophobicContact CD-CG2 3.93Å; K410-V568 HydrophobicContact CG-CG2 4.3Å; T566-V568 HydrophobicContact CG2-CG2 3.89Å; V568-Q573 WeakPolarHBondContact CA-O 3.37Å; V568-T574 HydrophobicContact CB-CG2 4.41Å; V568-T574 HydrophobicContact CG1-CG2 4.1Å; V568-T574 HydrophobicContact CG2-CG2 3.99Å
569S83.3Confident79.4Confident17 Ų1761.1 Ų61.112%0.11932%0.322CS..EExtended strand (participates in β ladder)trans-73152.1172.8178.90000111.7R406 T571 G572 Q573R406-S569 CarbonylContact O-C 3.55Å; R406-S569 VanDerWaalsContact O-CA 3.31Å; R406-S569 WeakPolarHBondContact O-CA 3.19Å; R406-S569 PolarHBondContact O-OG 2.86Å; S569-T571 WeakPolarHBondContact CB-OG1 3.42Å; S569-T571 PolarHBondContact O-N 2.9Å; S569-T571 PolarHBondContact OG-N 2.92Å; S569-T571 VanDerWaalsContact OG-N 3.15Å; S569-T571 PolarHBondContact OG-OG1 2.83Å; S569-G572 PolarHBondContact O-N 3.43Å; S569-Q573 PolarHBondContact N-O 2.94Å
570L71.2Confident81.6Confident125 Ų12558.2 Ų58.265%0.65432%0.316SS*.THydrogen-bonded Turntrans-53.6-20.5164.8-66.3177.2000113.2R406 G572R406-L570 HydrophobicContact CB-CD1 4.01Å; R406-L570 HydrophobicContact CB-CG 4.38Å; R406-L570 HydrophobicContact CG-CD1 4.41Å; R406-L570 PolarHBondContact O-N 3.49Å; L570-G572 VanDerWaalsContact C-N 3.3Å
571T77.1Confident83.5Confident83 Ų8351.3 Ų51.351%0.50929%0.287SS..THydrogen-bonded Turntrans-83.82.5174.162.20000114.3S569 Q573S569-T571 WeakPolarHBondContact CB-OG1 3.42Å; S569-T571 PolarHBondContact O-N 2.9Å; S569-T571 PolarHBondContact OG-N 2.92Å; S569-T571 VanDerWaalsContact OG-N 3.15Å; S569-T571 PolarHBondContact OG-OG1 2.83Å; T571-Q573 VanDerWaalsContact C-N 3.27Å; T571-Q573 PolarHBondContact O-N 2.77Å
572G75.6Confident85Confident55 Ų5549.3 Ų49.357%0.56727%0.274SS*.SBendtrans80.2-3-17700000115.1S569 L570S569-G572 PolarHBondContact O-N 3.43Å; L570-G572 VanDerWaalsContact C-N 3.3Å
573Q82.8Confident85.8Confident118 Ų11852 Ų5255%0.55128%0.284SS*.  trans-65.2140.9172.2-64.3-171.239.100111.1V568 S569 T571 W575V568-Q573 WeakPolarHBondContact CA-O 3.37Å; S569-Q573 PolarHBondContact N-O 2.94Å; T571-Q573 VanDerWaalsContact C-N 3.27Å; T571-Q573 PolarHBondContact O-N 2.77Å; Q573-W575 HydrophobicContact CB-CH2 3.64Å; Q573-W575 HydrophobicContact CB-CZ2 4.01Å; Q573-W575 HydrophobicContact CB-CZ3 4.09Å
574T86.9Confident85.9Confident76 Ų7651.3 Ų51.347%0.46628%0.282SS..EExtended strand (participates in β ladder)trans-130.6141-176.7570000113I567 V568I567-T574 CarbonylContact O-C 3.49Å; I567-T574 WeakPolarHBondContact O-CA 3.41Å; V568-T574 HydrophobicContact CB-CG2 4.41Å; V568-T574 HydrophobicContact CG1-CG2 4.1Å; V568-T574 HydrophobicContact CG2-CG2 3.99Å
575W90.3Very high85.9Confident31 Ų3150.8 Ų50.812%0.11728%0.279CS..EExtended strand (participates in β ladder)trans-130.4109.8175.5-55.6-101000109.7I402 T407 T566 I567 Q573 F577I402-W575 HydrophobicContact CD1-CB 4.03Å; I402-W575 HydrophobicContact CD1-CD2 3.7Å; I402-W575 HydrophobicContact CD1-CE3 4.27Å; I402-W575 HydrophobicContact CD1-CG 3.57Å; I402-W575 HydrophobicContact CG1-CD2 4.11Å; I402-W575 HydrophobicContact CG1-CG 4.37Å; I402-W575 HydrophobicContact CG1-CZ2 4.25Å; I402-W575 HydrophobicContact CG2-CD2 4.47Å; I402-W575 HydrophobicContact CG2-CE3 4.15Å; I402-W575 HydrophobicContact CG2-CH2 4.12Å; I402-W575 HydrophobicContact CG2-CZ2 4.43Å; I402-W575 HydrophobicContact CG2-CZ3 3.97Å; T407-W575 HydrophobicContact CG2-CZ3 4.39Å; T566-W575 WeakPolarHBondContact CA-O 3.45Å; I567-W575 HydrophobicContact CB-CE3 4.25Å; I567-W575 HydrophobicContact CG2-CE3 4.15Å; I567-W575 PolarHBondContact N-O 2.94Å; I567-W575 PolarHBondContact O-N 3.2Å; Q573-W575 HydrophobicContact CB-CH2 3.64Å; Q573-W575 HydrophobicContact CB-CZ2 4.01Å; Q573-W575 HydrophobicContact CB-CZ3 4.09Å; W575-F577 HydrophobicContact CB-CD2 4.3Å; W575-F577 HydrophobicContact CB-CE2 3.63Å; W575-F577 HydrophobicContact CB-CZ 4.34Å
576N91.1Very high85.7Confident26 Ų2652.5 Ų52.514%0.13929%0.288CS..EExtended strand (participates in β ladder)trans-87.5130.9174.2-45.9104.7000110.8R362 W371 E564 T566R362-N576 HydrophobicContact CB-CB 4.01Å; R362-N576 PolarHBondContact N-O 3.05Å; R362-N576 VanDerWaalsContact N-O 3.13Å; R362-N576 PolarHBondContact NE-OD1 3.21Å; R362-N576 PolarHBondContact NH2-ND2 2.63Å; R362-N576 PolarHBondContact NH2-OD1 2.75Å; W371-N576 HydrophobicContact CH2-CB 4.15Å; W371-N576 HydrophobicContact CZ3-CB 4.47Å; E564-N576 WeakPolarHBondContact OE1-CB 3.5Å; E564-N576 PolarHBondContact OE1-ND2 3.31Å; T566-N576 WeakPolarHBondContact CG2-ND2 3.41Å; T566-N576 PolarHBondContact OG1-ND2 2.67Å
577F92.8Very high85.6Confident1 Ų153.1 Ų53.10%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-126.4150.6176.2-67.4-85.1000109.7L359 M360 K361 V376 Y386 I402 E564 F565 I567 W575L359-F577 HydrophobicContact CB-CD1 4.09Å; L359-F577 HydrophobicContact CD1-CB 4.29Å; L359-F577 HydrophobicContact CD1-CD1 4.13Å; L359-F577 HydrophobicContact CD1-CG 4.4Å; M360-F577 CarbonylContact O-C 3.52Å; M360-F577 VanDerWaalsContact O-CA 3.24Å; M360-F577 WeakPolarHBondContact O-CA 3.45Å; K361-F577 HydrophobicContact CB-CD1 4.11Å; K361-F577 HydrophobicContact CB-CE1 4.12Å; K361-F577 HydrophobicContact CG-CD1 3.73Å; K361-F577 HydrophobicContact CG-CE1 3.41Å; K361-F577 VanDerWaalsContact CG-CE1 3.41Å; K361-F577 HydrophobicContact CG-CZ 4.01Å; V376-F577 HydrophobicContact CG2-CE1 4.07Å; Y386-F577 HydrophobicContact CD1-CZ 4.3Å; I402-F577 HydrophobicContact CD1-CE2 4.15Å; I402-F577 HydrophobicContact CD1-CZ 4.15Å; E564-F577 CarbonylContact C-O 3.53Å; E564-F577 VanDerWaalsContact CA-O 3.25Å; E564-F577 WeakPolarHBondContact CA-O 3.5Å; F565-F577 HydrophobicContact CD1-CB 4.02Å; F565-F577 HydrophobicContact CD2-CB 4.46Å; F565-F577 HydrophobicContact CE1-CB 3.57Å; F565-F577 HydrophobicContact CE2-CB 4.04Å; F565-F577 HydrophobicContact CE2-CD2 4.23Å; F565-F577 HydrophobicContact CE2-CG 4.43Å; F565-F577 HydrophobicContact CG-CB 4.46Å; F565-F577 HydrophobicContact CZ-CB 3.59Å; F565-F577 HydrophobicContact CZ-CD2 4.4Å; F565-F577 HydrophobicContact CZ-CG 4.16Å; F565-F577 PolarHBondContact N-O 2.92Å; F565-F577 PolarHBondContact O-N 3.35Å; F565-F577 VanDerWaalsContact O-O 3.05Å; I567-F577 HydrophobicContact CD1-CD2 4.29Å; I567-F577 HydrophobicContact CD1-CE2 3.98Å; I567-F577 HydrophobicContact CG1-CD2 4.47Å; I567-F577 HydrophobicContact CG1-CE2 4.48Å; W575-F577 HydrophobicContact CB-CD2 4.3Å; W575-F577 HydrophobicContact CB-CE2 3.63Å; W575-F577 HydrophobicContact CB-CZ 4.34Å
578E91.6Very high85.6Confident55 Ų5553.2 Ų53.226%0.25730%0.295SS..EExtended strand (participates in β ladder)trans-133.1127.1-179.2161.7-170.6-124.100106.9M360 W371M360-E578 HydrophobicContact CB-CB 3.84Å; M360-E578 HydrophobicContact CB-CG 4.04Å; M360-E578 WeakPolarHBondContact CB-OE2 3.36Å; M360-E578 PolarHBondContact N-O 3.16Å; M360-E578 PolarHBondContact O-N 3.23Å; W371-E578 HydrophobicContact CE3-CB 4.03Å; W371-E578 HydrophobicContact CH2-CB 3.68Å; W371-E578 HydrophobicContact CZ2-CB 4.26Å; W371-E578 HydrophobicContact CZ3-CB 3.54Å
579A90.5Very high85.8Confident7 Ų752.5 Ų52.56%0.05829%0.291CS..  trans-93.6174179.300000111.5L359 F563 E584 R585L359-A579 HydrophobicContact CD2-CB 3.85Å; F563-A579 PolarHBondContact O-N 2.74Å; F563-A579 VanDerWaalsContact O-N 3.16Å; A579-E584 HydrophobicContact CB-CB 4.13Å; A579-E584 HydrophobicContact CB-CG 4.48Å; A579-R585 HydrophobicContact CB-CB 3.86Å
580T84.9Confident86Confident106 Ų10658.1 Ų58.165%0.6532%0.315SS*.SBendtrans-88.9-13.2179.860.30000114.5E584T580-E584 WeakPolarHBondContact CB-OE2 3.28Å; T580-E584 PolarHBondContact N-OE2 2.9Å; T580-E584 PolarHBondContact OG1-OE2 3.03Å
581S86.6Confident86.7Confident33 Ų3353.9 Ų53.923%0.23129%0.294CS..SBendtrans-152.4173.8171.783.40000112E583 E584 R585S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 WeakPolarHBondContact CB-OE2 3.48Å; S581-E583 PolarHBondContact OG-N 2.79Å; S581-E583 PolarHBondContact OG-OE2 3.13Å; S581-E584 PolarHBondContact OG-N 3.1Å; S581-E584 VanDerWaalsContact OG-N 3.1Å; S581-R585 PolarHBondContact O-N 3.41Å
582Y82.2Confident87.3Confident108 Ų10849.9 Ų49.942%0.42427%0.27SS..Hα-helixtrans-62.9-42.6174.1178.7-72.4000111K414 R585 D586K414-Y582 PolarHBondContact NZ-OH 3.33Å; Y582-R585 VanDerWaalsContact CD2-NH2 3.28Å; Y582-R585 VanDerWaalsContact CZ-NH2 3.27Å; Y582-R585 WeakPolarHBondContact O-CB 3.34Å; Y582-R585 PolarHBondContact O-N 3.32Å; Y582-D586 HydrophobicContact CE1-CB 4.32Å; Y582-D586 VanDerWaalsContact CE1-OD2 3.3Å; Y582-D586 WeakPolarHBondContact CE1-OD2 3.41Å; Y582-D586 PolarHBondContact O-N 3.03Å; Y582-D586 PolarHBondContact OH-OD2 3.39Å
583E84.8Confident87.8Confident125 Ų12551.4 Ų51.458%0.58426%0.262SS*.Hα-helixtrans-68.1-42.7-178-50.667.4-140.300110.3S581 R585 D586 A587S581-E583 VanDerWaalsContact C-N 3.34Å; S581-E583 WeakPolarHBondContact CB-OE2 3.48Å; S581-E583 PolarHBondContact OG-N 2.79Å; S581-E583 PolarHBondContact OG-OE2 3.13Å; E583-R585 VanDerWaalsContact C-N 3.32Å; E583-R585 PolarHBondContact O-N 2.85Å; E583-D586 PolarHBondContact O-N 3.25Å; E583-A587 WeakPolarHBondContact O-CB 3.44Å; E583-A587 PolarHBondContact O-N 2.78Å
584E86.8Confident87.9Confident44 Ų4449.2 Ų49.221%0.20626%0.26CS..Hα-helixtrans-63-41.2174.5-157.3-150.7164.500110.6A579 T580 S581 W588A579-E584 HydrophobicContact CB-CB 4.13Å; A579-E584 HydrophobicContact CB-CG 4.48Å; T580-E584 WeakPolarHBondContact CB-OE2 3.28Å; T580-E584 PolarHBondContact N-OE2 2.9Å; T580-E584 PolarHBondContact OG1-OE2 3.03Å; S581-E584 PolarHBondContact OG-N 3.1Å; S581-E584 VanDerWaalsContact OG-N 3.1Å; E584-W588 PolarHBondContact O-N 3.42Å; E584-W588 PolarHBondContact OE1-NE1 3Å; E584-W588 VanDerWaalsContact OE1-NE1 3.08Å
585R87.3Confident87.7Confident12 Ų1246.4 Ų46.45%0.04524%0.242CC..Hα-helixtrans-59.2-56.3175.9-171.4-161.166.3-142.7-12.6111.1N562 F565 A579 S581 Y582 E583 A587 W588 V589N562-R585 PolarHBondContact O-NH1 3.19Å; F565-R585 HydrophobicContact CB-CG 4.33Å; F565-R585 HydrophobicContact CD1-CG 3.96Å; A579-R585 HydrophobicContact CB-CB 3.86Å; S581-R585 PolarHBondContact O-N 3.41Å; Y582-R585 VanDerWaalsContact CD2-NH2 3.28Å; Y582-R585 VanDerWaalsContact CZ-NH2 3.27Å; Y582-R585 WeakPolarHBondContact O-CB 3.34Å; Y582-R585 PolarHBondContact O-N 3.32Å; E583-R585 VanDerWaalsContact C-N 3.32Å; E583-R585 PolarHBondContact O-N 2.85Å; R585-A587 VanDerWaalsContact C-N 3.31Å; R585-A587 PolarHBondContact O-N 2.98Å; R585-W588 PolarHBondContact O-N 3.28Å; R585-W588 VanDerWaalsContact O-N 3.09Å; R585-V589 HydrophobicContact CG-CG2 4.45Å; R585-V589 WeakPolarHBondContact O-CG2 3.28Å; R585-V589 PolarHBondContact O-N 3.07Å
586D86.8Confident87.4Confident37 Ų3745.9 Ų45.920%0.19824%0.241CC..Hα-helixtrans-68.4-32.4-175.3-79.917.2000111.1K414 Y582 E583 W588 V589 Q590K414-D586 IonicContact NZ-OD1 2.91Å; K414-D586 IonicContact NZ-OD2 2.86Å; K414-D586 PolarHBondContact NZ-OD2 3.37Å; Y582-D586 HydrophobicContact CE1-CB 4.32Å; Y582-D586 VanDerWaalsContact CE1-OD2 3.3Å; Y582-D586 WeakPolarHBondContact CE1-OD2 3.41Å; Y582-D586 PolarHBondContact O-N 3.03Å; Y582-D586 PolarHBondContact OH-OD2 3.39Å; E583-D586 PolarHBondContact O-N 3.25Å; D586-W588 VanDerWaalsContact C-N 3.33Å; D586-W588 PolarHBondContact O-N 3.33Å; D586-V589 PolarHBondContact O-N 2.86Å; D586-Q590 WeakPolarHBondContact O-CB 3.42Å; D586-Q590 PolarHBondContact O-N 3.31Å
587A87.5Confident86.8Confident32 Ų3249.3 Ų49.326%0.26426%0.259SS..Hα-helixtrans-72.9-16.6171.800000114.5K355 E583 R585 V591K355-A587 WeakPolarHBondContact CE-O 3.3Å; K355-A587 PolarHBondContact NZ-O 2.98Å; E583-A587 WeakPolarHBondContact O-CB 3.44Å; E583-A587 PolarHBondContact O-N 2.78Å; R585-A587 VanDerWaalsContact C-N 3.31Å; R585-A587 PolarHBondContact O-N 2.98Å; A587-V591 VanDerWaalsContact O-CG2 3.3Å; A587-V591 WeakPolarHBondContact O-CG2 3.33Å
588W91.6Very high85.9Confident2 Ų251.1 Ų51.11%0.00827%0.274CS..Hα-helixtrans-82.8-45.2165.2-88.2106.9000111.2K355 L359 V376 L378 L384 F565 E584 R585 D586 V591 I592K355-W588 HydrophobicContact CB-CH2 4.16Å; K355-W588 HydrophobicContact CB-CZ3 4Å; K355-W588 HydrophobicContact CD-CD2 3.68Å; K355-W588 HydrophobicContact CD-CE3 3.66Å; K355-W588 HydrophobicContact CD-CG 4.2Å; K355-W588 HydrophobicContact CD-CH2 4.26Å; K355-W588 HydrophobicContact CD-CZ2 4.28Å; K355-W588 HydrophobicContact CD-CZ3 3.96Å; K355-W588 HydrophobicContact CG-CD2 4.4Å; K355-W588 HydrophobicContact CG-CE3 4.24Å; K355-W588 HydrophobicContact CG-CH2 3.95Å; K355-W588 HydrophobicContact CG-CZ2 4.12Å; K355-W588 HydrophobicContact CG-CZ3 4.01Å; L359-W588 HydrophobicContact CD1-CD2 3.96Å; L359-W588 HydrophobicContact CD1-CE3 4.41Å; L359-W588 HydrophobicContact CD1-CG 4.19Å; L359-W588 HydrophobicContact CD1-CZ2 4.43Å; L359-W588 HydrophobicContact CD2-CG 4.42Å; V376-W588 HydrophobicContact CB-CH2 4.19Å; V376-W588 HydrophobicContact CG1-CH2 4.08Å; V376-W588 HydrophobicContact CG1-CZ3 4.12Å; L378-W588 HydrophobicContact CB-CZ3 4.37Å; L384-W588 HydrophobicContact CD1-CZ3 4.3Å; F565-W588 HydrophobicContact CE1-CB 4.25Å; F565-W588 HydrophobicContact CZ-CB 4.06Å; E584-W588 PolarHBondContact O-N 3.42Å; E584-W588 PolarHBondContact OE1-NE1 3Å; E584-W588 VanDerWaalsContact OE1-NE1 3.08Å; R585-W588 PolarHBondContact O-N 3.28Å; R585-W588 VanDerWaalsContact O-N 3.09Å; D586-W588 VanDerWaalsContact C-N 3.33Å; D586-W588 PolarHBondContact O-N 3.33Å; W588-V591 PolarHBondContact O-N 2.76Å; W588-I592 HydrophobicContact CE3-CD1 4.25Å; W588-I592 WeakPolarHBondContact O-CB 3.38Å; W588-I592 WeakPolarHBondContact O-CD1 3.38Å; W588-I592 VanDerWaalsContact O-CG1 3.23Å; W588-I592 WeakPolarHBondContact O-CG1 3.39Å; W588-I592 PolarHBondContact O-N 2.8Å
589V89.9Confident84.8Confident9 Ų948.8 Ų48.86%0.05526%0.264CS..Hα-helixtrans-58.3-51.4177.8172.10000110.5V409 V411 F565 R585 D586 V591 I592 E593V409-V589 HydrophobicContact CG1-CB 4.45Å; V409-V589 HydrophobicContact CG1-CG1 4Å; V409-V589 HydrophobicContact CG1-CG2 4.02Å; V411-V589 HydrophobicContact CG2-CG1 4.24Å; V411-V589 HydrophobicContact CG2-CG2 3.82Å; F565-V589 HydrophobicContact CB-CG2 3.95Å; F565-V589 HydrophobicContact CD2-CG2 4.22Å; F565-V589 HydrophobicContact CG-CG2 4.04Å; R585-V589 HydrophobicContact CG-CG2 4.45Å; R585-V589 WeakPolarHBondContact O-CG2 3.28Å; R585-V589 PolarHBondContact O-N 3.07Å; D586-V589 PolarHBondContact O-N 2.86Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 2.78Å; V589-I592 PolarHBondContact O-N 2.65Å; V589-E593 HydrophobicContact CG1-CG 4.21Å; V589-E593 WeakPolarHBondContact O-CB 3.44Å; V589-E593 WeakPolarHBondContact O-CG 3.33Å; V589-E593 PolarHBondContact O-N 3.33Å
590Q88Confident83.7Confident135 Ų13552.9 Ų52.963%0.63128%0.284SS*.Hα-helixtrans-57.5-42-179.7-176.6-175.55.800112.6D586 S594D586-Q590 WeakPolarHBondContact O-CB 3.42Å; D586-Q590 PolarHBondContact O-N 3.31Å; Q590-S594 WeakPolarHBondContact O-CB 3.28Å; Q590-S594 PolarHBondContact O-N 2.91Å
591V86.3Confident82.6Confident36 Ų3653.6 Ų53.622%0.21828%0.28CS..Hα-helixtrans-77.7-31.8-179-175.30000111.5I354 K355 L378 A587 W588 V589 Q595I354-V591 HydrophobicContact CG2-CG1 3.68Å; K355-V591 HydrophobicContact CB-CG1 4.31Å; K355-V591 HydrophobicContact CD-CB 4.17Å; K355-V591 HydrophobicContact CD-CG2 4.21Å; L378-V591 HydrophobicContact CD2-CB 4.48Å; L378-V591 HydrophobicContact CD2-CG1 3.82Å; A587-V591 VanDerWaalsContact O-CG2 3.3Å; A587-V591 WeakPolarHBondContact O-CG2 3.33Å; W588-V591 PolarHBondContact O-N 2.76Å; V589-V591 VanDerWaalsContact C-N 3.34Å; V589-V591 PolarHBondContact O-N 2.78Å; V591-Q595 VanDerWaalsContact O-CB 3.26Å; V591-Q595 WeakPolarHBondContact O-CB 3.29Å; V591-Q595 PolarHBondContact O-N 3.45Å
592I88.7Confident81Confident0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-68.9-43.7172-66.1164.5000110.6L378 L384 L404 V409 F565 I567 W588 V589 Q595 I596L378-I592 HydrophobicContact CD2-CG1 3.93Å; L384-I592 HydrophobicContact CD2-CD1 4.23Å; L404-I592 HydrophobicContact CD1-CG2 4.02Å; L404-I592 HydrophobicContact CD2-CG2 4.02Å; V409-I592 HydrophobicContact CG2-CB 4.17Å; V409-I592 HydrophobicContact CG2-CG2 3.44Å; V409-I592 VanDerWaalsContact CG2-CG2 3.44Å; F565-I592 HydrophobicContact CE2-CD1 3.79Å; F565-I592 HydrophobicContact CZ-CD1 4.24Å; I567-I592 HydrophobicContact CD1-CD1 4.21Å; W588-I592 HydrophobicContact CE3-CD1 4.25Å; W588-I592 WeakPolarHBondContact O-CB 3.38Å; W588-I592 WeakPolarHBondContact O-CD1 3.38Å; W588-I592 VanDerWaalsContact O-CG1 3.23Å; W588-I592 WeakPolarHBondContact O-CG1 3.39Å; W588-I592 PolarHBondContact O-N 2.8Å; V589-I592 PolarHBondContact O-N 2.65Å; I592-Q595 PolarHBondContact O-N 3.48Å; I592-I596 HydrophobicContact CG2-CD1 4Å; I592-I596 VanDerWaalsContact O-CG1 3.25Å; I592-I596 WeakPolarHBondContact O-CG1 3.48Å; I592-I596 PolarHBondContact O-N 3.11Å
593E86.7Confident79.3Confident86 Ų8653.6 Ų53.640%0.40230%0.295SS..Hα-helixtrans-66.4-42.1175.9-71.5-179.5164.200111.6V409 V589 I596 L597V409-E593 HydrophobicContact CB-CG 4.13Å; V409-E593 HydrophobicContact CG2-CG 3.99Å; V589-E593 HydrophobicContact CG1-CG 4.21Å; V589-E593 WeakPolarHBondContact O-CB 3.44Å; V589-E593 WeakPolarHBondContact O-CG 3.33Å; V589-E593 PolarHBondContact O-N 3.33Å; E593-I596 PolarHBondContact O-N 3.38Å; E593-L597 WeakPolarHBondContact O-CB 3.5Å; E593-L597 WeakPolarHBondContact O-CG 3.14Å; E593-L597 PolarHBondContact O-N 3.1Å
594S83.8Confident77.2Confident72 Ų7252.4 Ų52.450%0.50329%0.289SS..Hα-helixtrans-60.1-43.6172.1-174.60000111.5Q590 L597 A598Q590-S594 WeakPolarHBondContact O-CB 3.28Å; Q590-S594 PolarHBondContact O-N 2.91Å; S594-L597 PolarHBondContact O-N 2.92Å; S594-A598 VanDerWaalsContact O-CB 3.23Å; S594-A598 WeakPolarHBondContact O-CB 3.5Å; S594-A598 PolarHBondContact O-N 3.38Å
595Q84.3Confident74.8Confident17 Ų1754 Ų548%0.07931%0.305CS..Hα-helixtrans-67.6-36.3176-1766048.700112.5L378 D380 L404 V591 I592 A598 S599L378-Q595 HydrophobicContact CD1-CB 4.42Å; L378-Q595 HydrophobicContact CD1-CG 4.08Å; L378-Q595 HydrophobicContact CD2-CB 4.26Å; D380-Q595 PolarHBondContact O-NE2 3.16Å; L404-Q595 HydrophobicContact CD1-CG 4.3Å; V591-Q595 VanDerWaalsContact O-CB 3.26Å; V591-Q595 WeakPolarHBondContact O-CB 3.29Å; V591-Q595 PolarHBondContact O-N 3.45Å; I592-Q595 PolarHBondContact O-N 3.48Å; Q595-A598 PolarHBondContact O-N 3.48Å; Q595-S599 PolarHBondContact NE2-OG 3.15Å; Q595-S599 VanDerWaalsContact O-CB 3.27Å; Q595-S599 WeakPolarHBondContact O-CB 3.34Å; Q595-S599 PolarHBondContact O-N 3.44Å; Q595-S599 PolarHBondContact O-OG 2.69Å
596I83.1Confident72.7Confident21 Ų2157.4 Ų57.411%0.10833%0.331CS..Hα-helixtrans-61.6-46.7172.4-71.2163.2000109.9L404 V409 I592 E593 S599 L600L404-I596 HydrophobicContact CB-CG1 3.87Å; V409-I596 HydrophobicContact CG2-CD1 4.2Å; I592-I596 HydrophobicContact CG2-CD1 4Å; I592-I596 VanDerWaalsContact O-CG1 3.25Å; I592-I596 WeakPolarHBondContact O-CG1 3.48Å; I592-I596 PolarHBondContact O-N 3.11Å; E593-I596 PolarHBondContact O-N 3.38Å; I596-S599 PolarHBondContact O-N 3.46Å; I596-L600 HydrophobicContact CG2-CD1 3.99Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 VanDerWaalsContact O-CG 3.24Å; I596-L600 WeakPolarHBondContact O-CG 3.31Å; I596-L600 PolarHBondContact O-N 2.86Å
597L79.3Confident70.5Confident98 Ų9859.8 Ų59.851%0.51334%0.34SS..Hα-helixtrans-64.6-42.3176.8-69.8169.7000112.2E593 S594 L600 Q601E593-L597 WeakPolarHBondContact O-CB 3.5Å; E593-L597 WeakPolarHBondContact O-CG 3.14Å; E593-L597 PolarHBondContact O-N 3.1Å; S594-L597 PolarHBondContact O-N 2.92Å; L597-L600 PolarHBondContact O-N 3.28Å; L597-Q601 WeakPolarHBondContact O-CB 3.36Å; L597-Q601 VanDerWaalsContact O-CG 3.25Å; L597-Q601 WeakPolarHBondContact O-CG 3.32Å; L597-Q601 PolarHBondContact O-N 3.29Å
598A73.4Confident68.1Low39 Ų3963.9 Ų63.932%0.32236%0.357SS..Hα-helixtrans-67.1-35.8177.600000112.2S594 Q595 Q601 S602S594-A598 VanDerWaalsContact O-CB 3.23Å; S594-A598 WeakPolarHBondContact O-CB 3.5Å; S594-A598 PolarHBondContact O-N 3.38Å; Q595-A598 PolarHBondContact O-N 3.48Å; A598-Q601 CarbonylContact O-C 3.54Å; A598-Q601 PolarHBondContact O-N 2.97Å; A598-S602 VanDerWaalsContact O-CB 3.25Å; A598-S602 WeakPolarHBondContact O-CB 3.42Å; A598-S602 PolarHBondContact O-N 2.9Å; A598-S602 PolarHBondContact O-OG 2.71Å
599S68Low65.5Low5 Ų572.6 Ų72.64%0.03540%0.395CS..Hα-helixtrans-71.8-32172.5-71.50000112.6Q595 I596 S602 C603Q595-S599 PolarHBondContact NE2-OG 3.15Å; Q595-S599 VanDerWaalsContact O-CB 3.27Å; Q595-S599 WeakPolarHBondContact O-CB 3.34Å; Q595-S599 PolarHBondContact O-N 3.44Å; Q595-S599 PolarHBondContact O-OG 2.69Å; I596-S599 PolarHBondContact O-N 3.46Å; S599-S602 PolarHBondContact O-OG 3.09Å; S599-C603 PolarHBondContact O-N 3.08Å; S599-C603 PolarHBondContact O-SG 3.27Å
600L67.6Low63.1Low94 Ų9474 Ų7449%0.49241%0.405SS..Hα-helixtrans-71.2-35.6170.5-70.7166.8000112I596 L597 C603I596-L600 HydrophobicContact CG2-CD1 3.99Å; I596-L600 WeakPolarHBondContact O-CB 3.45Å; I596-L600 VanDerWaalsContact O-CG 3.24Å; I596-L600 WeakPolarHBondContact O-CG 3.31Å; I596-L600 PolarHBondContact O-N 2.86Å; L597-L600 PolarHBondContact O-N 3.28Å; L600-C603 WeakPolarHBondContact O-CB 3.4Å
601Q62.4Low60.8Low120 Ų12075.8 Ų75.856%0.56141%0.406SS*.Hα-helixtrans-79-27.9176.3-72.3170.85.400112.8L597 A598 C603 E604 S605L597-Q601 WeakPolarHBondContact O-CB 3.36Å; L597-Q601 VanDerWaalsContact O-CG 3.25Å; L597-Q601 WeakPolarHBondContact O-CG 3.32Å; L597-Q601 PolarHBondContact O-N 3.29Å; A598-Q601 CarbonylContact O-C 3.54Å; A598-Q601 PolarHBondContact O-N 2.97Å; Q601-C603 VanDerWaalsContact C-N 3.31Å; Q601-E604 CarbonylContact O-C 3.59Å; Q601-E604 VanDerWaalsContact O-CA 3.31Å; Q601-E604 WeakPolarHBondContact O-CA 3.28Å; Q601-E604 WeakPolarHBondContact O-CB 3.29Å; Q601-E604 PolarHBondContact O-N 2.92Å; Q601-S605 PolarHBondContact O-N 3.21Å
602S52.6Low58.4Low62 Ų6281.3 Ų81.343%0.43443%0.434SS..Hα-helixtrans-73.7-25.417572.10000111.8A598 S599 E604 S605A598-S602 VanDerWaalsContact O-CB 3.25Å; A598-S602 WeakPolarHBondContact O-CB 3.42Å; A598-S602 PolarHBondContact O-N 2.9Å; A598-S602 PolarHBondContact O-OG 2.71Å; S599-S602 PolarHBondContact O-OG 3.09Å; S602-E604 PolarHBondContact O-N 3.48Å; S602-S605 VanDerWaalsContact O-CB 3.31Å; S602-S605 WeakPolarHBondContact O-CB 3.38Å; S602-S605 PolarHBondContact O-N 3.23Å; S602-S605 PolarHBondContact O-OG 3.29Å
603C46.2Very low56.4Low79 Ų7984.3 Ų84.353%0.53445%0.452SS..Hα-helixtrans-58.5-27.5161.2-68.20000112.5S599 L600 Q601S599-C603 PolarHBondContact O-N 3.08Å; S599-C603 PolarHBondContact O-SG 3.27Å; L600-C603 WeakPolarHBondContact O-CB 3.4Å; Q601-C603 VanDerWaalsContact C-N 3.31Å
604E41.4Very low54.9Low100 Ų10082.6 Ų82.647%0.46745%0.449SS..Hα-helixtrans-79.7-16.6171.2-49.8-160.194.100113.8Q601 S602 S606 K607Q601-E604 CarbonylContact O-C 3.59Å; Q601-E604 VanDerWaalsContact O-CA 3.31Å; Q601-E604 WeakPolarHBondContact O-CA 3.28Å; Q601-E604 WeakPolarHBondContact O-CB 3.29Å; Q601-E604 PolarHBondContact O-N 2.92Å; S602-E604 PolarHBondContact O-N 3.48Å; E604-S606 PolarHBondContact O-N 2.75Å; E604-K607 HydrophobicContact CB-CD 4.04Å; E604-K607 HydrophobicContact CG-CD 4.44Å; E604-K607 WeakPolarHBondContact O-CA 3.35Å; E604-K607 WeakPolarHBondContact O-CB 3.44Å; E604-K607 WeakPolarHBondContact O-CG 3.42Å; E604-K607 PolarHBondContact O-N 3.26Å; E604-K607 IonicContact OE1-NZ 3.45Å; E604-K607 PolarHBondContact OE1-NZ 3.1Å
605S36.9Very low53.7Low78 Ų7886 Ų8655%0.54546%0.458SS..Hα-helixtrans-63.7-29.3176.975.20000112.3Q601 S602 K607 N608Q601-S605 PolarHBondContact O-N 3.21Å; S602-S605 VanDerWaalsContact O-CB 3.31Å; S602-S605 WeakPolarHBondContact O-CB 3.38Å; S602-S605 PolarHBondContact O-N 3.23Å; S602-S605 PolarHBondContact O-OG 3.29Å; S605-K607 PolarHBondContact O-N 2.9Å; S605-K607 VanDerWaalsContact O-N 3.15Å; S605-N608 PolarHBondContact O-N 3.21Å
606S41.3Very low52.9Low83 Ų8388.5 Ų88.558%0.5848%0.477SS*.Hα-helixtrans-51.8-31.7167-56.30000112.7E604 N608 K609 S610E604-S606 PolarHBondContact O-N 2.75Å; S606-N608 VanDerWaalsContact C-N 3.26Å; S606-N608 PolarHBondContact O-N 2.93Å; S606-K609 PolarHBondContact O-N 3.5Å; S606-S610 PolarHBondContact O-N 2.86Å
607K42.1Very low52.4Low87 Ų8789.1 Ų89.138%0.37848%0.479SS..Hα-helixtrans-71.6-15.2180-52.8176.4-176.6176.90113.6E604 S605 S610 R611E604-K607 HydrophobicContact CB-CD 4.04Å; E604-K607 HydrophobicContact CG-CD 4.44Å; E604-K607 WeakPolarHBondContact O-CA 3.35Å; E604-K607 WeakPolarHBondContact O-CB 3.44Å; E604-K607 WeakPolarHBondContact O-CG 3.42Å; E604-K607 PolarHBondContact O-N 3.26Å; E604-K607 IonicContact OE1-NZ 3.45Å; E604-K607 PolarHBondContact OE1-NZ 3.1Å; S605-K607 PolarHBondContact O-N 2.9Å; S605-K607 VanDerWaalsContact O-N 3.15Å; K607-S610 VanDerWaalsContact CA-OG 3.25Å; K607-S610 WeakPolarHBondContact CA-OG 3.3Å; K607-S610 CarbonylContact O-C 3.47Å; K607-S610 PolarHBondContact O-N 3.11Å; K607-S610 PolarHBondContact O-OG 3.27Å; K607-S610 VanDerWaalsContact O-OG 3.11Å; K607-R611 PolarHBondContact O-N 2.57Å
608N36.1Very low52.4Low119 Ų11987.3 Ų87.364%0.63648%0.479SS*.Hα-helixtrans-73.1-30.7171.4-87.4-25.4000111.9S605 S606 S610 R611S605-N608 PolarHBondContact O-N 3.21Å; S606-N608 VanDerWaalsContact C-N 3.26Å; S606-N608 PolarHBondContact O-N 2.93Å; N608-S610 VanDerWaalsContact C-N 3.33Å; N608-R611 PolarHBondContact O-N 3.17Å
609K36.5Very low52.9Low185 Ų18591.4 Ų91.480%0.80449%0.494SS*.Hα-helixtrans-69-35.7166.6-164.6179.5-179.6-1720110.7S606 R611S606-K609 PolarHBondContact O-N 3.5Å; K609-R611 VanDerWaalsContact C-N 3.29Å; K609-R611 PolarHBondContact O-N 3.34Å
610S39.7Very low53.7Low38 Ų3892 Ų9227%0.26650%0.5SS..Hα-helixtrans-77.8-1.8173.783.20000115S606 K607 N608 T613 S614S606-S610 PolarHBondContact O-N 2.86Å; K607-S610 VanDerWaalsContact CA-OG 3.25Å; K607-S610 WeakPolarHBondContact CA-OG 3.3Å; K607-S610 CarbonylContact O-C 3.47Å; K607-S610 PolarHBondContact O-N 3.11Å; K607-S610 PolarHBondContact O-OG 3.27Å; K607-S610 VanDerWaalsContact O-OG 3.11Å; N608-S610 VanDerWaalsContact C-N 3.33Å; S610-T613 WeakPolarHBondContact CA-OG1 2.98Å; S610-T613 WeakPolarHBondContact CB-OG1 3.35Å; S610-T613 CarbonylContact O-C 3.59Å; S610-T613 PolarHBondContact O-N 2.85Å; S610-T613 PolarHBondContact O-OG1 3.13Å; S610-S614 VanDerWaalsContact O-CB 3.23Å; S610-S614 WeakPolarHBondContact O-CB 3.13Å; S610-S614 PolarHBondContact O-N 3.37Å; S610-S614 PolarHBondContact O-OG 2.89Å
611R39.5Very low54.7Low173 Ų17388.2 Ų88.265%0.65348%0.48SS*.Hα-helixtrans-78.5-22.3-179.6-156175.4-172.9-173.83.7113.9K607 N608 K609 S614K607-R611 PolarHBondContact O-N 2.57Å; N608-R611 PolarHBondContact O-N 3.17Å; K609-R611 VanDerWaalsContact C-N 3.29Å; K609-R611 PolarHBondContact O-N 3.34Å; R611-S614 PolarHBondContact O-OG 3.03Å
612L35.9Very low56Low151 Ų15188 Ų8879%0.79148%0.479SS*.Hα-helixtrans-85.4-31.4165.8-74.2170.7000111.3S614L612-S614 VanDerWaalsContact C-N 3.34Å
613T48.3Very low57.8Low63 Ų6388.1 Ų88.139%0.38748%0.48SS..Hα-helixtrans-68.7-34.2171.171.20000111S610 Q615 S616 E617S610-T613 WeakPolarHBondContact CA-OG1 2.98Å; S610-T613 WeakPolarHBondContact CB-OG1 3.35Å; S610-T613 CarbonylContact O-C 3.59Å; S610-T613 PolarHBondContact O-N 2.85Å; S610-T613 PolarHBondContact O-OG1 3.13Å; T613-Q615 VanDerWaalsContact C-N 3.34Å; T613-Q615 PolarHBondContact O-N 3.47Å; T613-S616 CarbonylContact O-C 3.6Å; T613-S616 VanDerWaalsContact O-CA 3.29Å; T613-S616 WeakPolarHBondContact O-CA 3.43Å; T613-S616 VanDerWaalsContact O-CB 3.23Å; T613-S616 WeakPolarHBondContact O-CB 3.19Å; T613-S616 PolarHBondContact O-N 3.31Å; T613-E617 VanDerWaalsContact O-CB 3.23Å; T613-E617 WeakPolarHBondContact O-CB 3.43Å; T613-E617 PolarHBondContact O-N 2.98Å
614S54.8Low60.1Low50 Ų5084.4 Ų84.435%0.3545%0.454SS..Hα-helixtrans-69.4-25.9-171.266.80000114.4S610 R611 L612 A618S610-S614 VanDerWaalsContact O-CB 3.23Å; S610-S614 WeakPolarHBondContact O-CB 3.13Å; S610-S614 PolarHBondContact O-N 3.37Å; S610-S614 PolarHBondContact O-OG 2.89Å; R611-S614 PolarHBondContact O-OG 3.03Å; L612-S614 VanDerWaalsContact C-N 3.34Å; S614-A618 VanDerWaalsContact O-CB 3.25Å; S614-A618 WeakPolarHBondContact O-CB 3.25Å; S614-A618 PolarHBondContact O-N 3.44Å
615Q57.3Low62.6Low144 Ų14482.7 Ų82.767%0.67344%0.444SS*.Hα-helixtrans-71.1-39.8165.8-72.5-169-9.200111.7T613 E617 L619T613-Q615 VanDerWaalsContact C-N 3.34Å; T613-Q615 PolarHBondContact O-N 3.47Å; Q615-E617 VanDerWaalsContact C-N 3.34Å; Q615-L619 WeakPolarHBondContact O-CB 3.34Å; Q615-L619 VanDerWaalsContact O-CG 3.28Å; Q615-L619 WeakPolarHBondContact O-CG 3.4Å; Q615-L619 PolarHBondContact O-N 3.32Å; Q615-L619 VanDerWaalsContact O-N 3.11Å
616S68.7Low65.3Low70 Ų7083.3 Ų83.349%0.4945%0.448SS..Hα-helixtrans-67.7-33.7174.6-167.60000112.7T613 A620T613-S616 CarbonylContact O-C 3.6Å; T613-S616 VanDerWaalsContact O-CA 3.29Å; T613-S616 WeakPolarHBondContact O-CA 3.43Å; T613-S616 VanDerWaalsContact O-CB 3.23Å; T613-S616 WeakPolarHBondContact O-CB 3.19Å; T613-S616 PolarHBondContact O-N 3.31Å; S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.44Å
617E72.3Confident67.8Low34 Ų3481.4 Ų81.416%0.15943%0.431CS..Hα-helixtrans-74-45.9179-174.4177179.800109.8T613 Q615 L619 A620 L621 W678 I683T613-E617 VanDerWaalsContact O-CB 3.23Å; T613-E617 WeakPolarHBondContact O-CB 3.43Å; T613-E617 PolarHBondContact O-N 2.98Å; Q615-E617 VanDerWaalsContact C-N 3.34Å; E617-L619 VanDerWaalsContact C-N 3.32Å; E617-L619 PolarHBondContact O-N 3.09Å; E617-A620 CarbonylContact O-C 3.53Å; E617-A620 PolarHBondContact O-N 2.85Å; E617-A620 VanDerWaalsContact O-N 3.13Å; E617-L621 HydrophobicContact CG-CD1 4Å; E617-L621 VanDerWaalsContact O-CB 3.3Å; E617-L621 WeakPolarHBondContact O-CB 3.22Å; E617-L621 VanDerWaalsContact O-CG 3.24Å; E617-L621 WeakPolarHBondContact O-CG 3.31Å; E617-L621 PolarHBondContact O-N 3.39Å; E617-W678 HydrophobicContact CG-CB 4.13Å; E617-W678 PolarHBondContact OE1-N 2.92Å; E617-I683 HydrophobicContact CG-CD1 4.21Å
618A79Confident70.2Confident60 Ų6086 Ų8650%0.49645%0.446SS..Hα-helixtrans-59.3-41.8171.500000112S614 Q622S614-A618 VanDerWaalsContact O-CB 3.25Å; S614-A618 WeakPolarHBondContact O-CB 3.25Å; S614-A618 PolarHBondContact O-N 3.44Å; A618-Q622 VanDerWaalsContact O-CB 3.29Å; A618-Q622 WeakPolarHBondContact O-CB 3.49Å; A618-Q622 PolarHBondContact O-N 2.9Å
619L84Confident72.9Confident124 Ų12482.3 Ų82.365%0.64944%0.436SS*.Hα-helixtrans-67.4-35.9173.9-71.7171.1000112.6Q615 E617 S623Q615-L619 WeakPolarHBondContact O-CB 3.34Å; Q615-L619 VanDerWaalsContact O-CG 3.28Å; Q615-L619 WeakPolarHBondContact O-CG 3.4Å; Q615-L619 PolarHBondContact O-N 3.32Å; Q615-L619 VanDerWaalsContact O-N 3.11Å; E617-L619 VanDerWaalsContact C-N 3.32Å; E617-L619 PolarHBondContact O-N 3.09Å; L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.81Å; L619-S623 PolarHBondContact O-OG 3.15Å
620A84.8Confident75.8Confident19 Ų1973.6 Ų73.616%0.15740%0.398CS..Hα-helixtrans-74.5-37.6177.400000112.8S616 E617 S623 I624 I683S616-A620 WeakPolarHBondContact O-CB 3.42Å; S616-A620 PolarHBondContact O-N 3.44Å; E617-A620 CarbonylContact O-C 3.53Å; E617-A620 PolarHBondContact O-N 2.85Å; E617-A620 VanDerWaalsContact O-N 3.13Å; A620-S623 CarbonylContact O-C 3.56Å; A620-S623 WeakPolarHBondContact O-CA 3.46Å; A620-S623 VanDerWaalsContact O-CB 3.29Å; A620-S623 WeakPolarHBondContact O-CB 3.24Å; A620-S623 PolarHBondContact O-N 3.14Å; A620-S623 VanDerWaalsContact O-N 3.16Å; A620-I624 WeakPolarHBondContact O-CG1 3.44Å; A620-I624 PolarHBondContact O-N 3.45Å; A620-I683 HydrophobicContact CB-CD1 4.17Å; A620-I683 HydrophobicContact CB-CG2 3.7Å
621L88.9Confident78.4Confident14 Ų1473.5 Ų73.57%0.07340%0.403CS..Hα-helixtrans-66.3-38.6172-72.1164.6000111.1E617 S623 I624 R625 L673 W678E617-L621 HydrophobicContact CG-CD1 4Å; E617-L621 VanDerWaalsContact O-CB 3.3Å; E617-L621 WeakPolarHBondContact O-CB 3.22Å; E617-L621 VanDerWaalsContact O-CG 3.24Å; E617-L621 WeakPolarHBondContact O-CG 3.31Å; E617-L621 PolarHBondContact O-N 3.39Å; L621-S623 VanDerWaalsContact C-N 3.31Å; L621-I624 HydrophobicContact CD2-CD1 4.34Å; L621-I624 PolarHBondContact O-N 2.85Å; L621-R625 WeakPolarHBondContact O-CG 3.41Å; L621-R625 PolarHBondContact O-N 3.33Å; L621-L673 WeakPolarHBondContact CD1-O 3.45Å; L621-L673 HydrophobicContact CD2-CB 4.36Å; L621-L673 HydrophobicContact CD2-CD2 4.35Å; L621-L673 HydrophobicContact CD2-CG 4.03Å; L621-W678 HydrophobicContact CD1-CG 4.38Å; L621-W678 HydrophobicContact CD2-CB 4.43Å; L621-W678 HydrophobicContact CD2-CD2 3.79Å; L621-W678 HydrophobicContact CD2-CE3 4.38Å; L621-W678 HydrophobicContact CD2-CG 3.78Å
622Q88.9Confident81.2Confident116 Ų11672 Ų7254%0.54240%0.398SS..Hα-helixtrans-65.6-35.5170-17161.119.600111.9A618 R625 S626A618-Q622 VanDerWaalsContact O-CB 3.29Å; A618-Q622 WeakPolarHBondContact O-CB 3.49Å; A618-Q622 PolarHBondContact O-N 2.9Å; Q622-R625 PolarHBondContact O-N 3.02Å; Q622-S626 PolarHBondContact O-N 3.41Å
623S91.6Very high84.1Confident64 Ų6464.9 Ų64.945%0.44836%0.36SS..Hα-helixtrans-64.1-44.1171.8-57.60000111L619 A620 L621 R625 S626 I627L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.81Å; L619-S623 PolarHBondContact O-OG 3.15Å; A620-S623 CarbonylContact O-C 3.56Å; A620-S623 WeakPolarHBondContact O-CA 3.46Å; A620-S623 VanDerWaalsContact O-CB 3.29Å; A620-S623 WeakPolarHBondContact O-CB 3.24Å; A620-S623 PolarHBondContact O-N 3.14Å; A620-S623 VanDerWaalsContact O-N 3.16Å; L621-S623 VanDerWaalsContact C-N 3.31Å; S623-R625 PolarHBondContact O-N 2.96Å; S623-S626 WeakPolarHBondContact O-CA 3.46Å; S623-S626 WeakPolarHBondContact O-CB 3.3Å; S623-S626 PolarHBondContact O-N 3.02Å; S623-S626 PolarHBondContact O-OG 3.19Å; S623-I627 PolarHBondContact O-N 3.41Å
624I94.1Very high86.5Confident0 Ų061.9 Ų61.90%034%0.342CS..Hα-helixtrans-59.1-44.9174.7-71.2160.7000111.2A620 L621 S626 I627 N630 L651 L673 I683 M686A620-I624 WeakPolarHBondContact O-CG1 3.44Å; A620-I624 PolarHBondContact O-N 3.45Å; L621-I624 HydrophobicContact CD2-CD1 4.34Å; L621-I624 PolarHBondContact O-N 2.85Å; I624-S626 PolarHBondContact O-N 2.86Å; I624-I627 HydrophobicContact CG1-CD1 4.49Å; I624-I627 PolarHBondContact O-N 2.83Å; I624-N630 WeakPolarHBondContact O-CB 3.27Å; I624-N630 PolarHBondContact O-ND2 3.34Å; I624-L651 HydrophobicContact CG2-CD1 4.21Å; I624-L651 HydrophobicContact CG2-CD2 4.12Å; I624-L651 HydrophobicContact CG2-CG 4.47Å; I624-L673 HydrophobicContact CG2-CD2 4.45Å; I624-I683 HydrophobicContact CD1-CB 4.35Å; I624-I683 HydrophobicContact CD1-CG1 4.32Å; I624-I683 HydrophobicContact CD1-CG2 4.12Å; I624-M686 HydrophobicContact CD1-CB 3.8Å; I624-M686 HydrophobicContact CG1-CB 4.06Å; I624-M686 HydrophobicContact CG2-CB 4.09Å
625R94Very high88.5Confident64 Ų6459.5 Ų59.524%0.24233%0.325CS..Hα-helixtrans-58.4-28.2173.7-75.8172.2161.3128.7-3.1113L621 Q622 S623 D642 L673 D674L621-R625 WeakPolarHBondContact O-CG 3.41Å; L621-R625 PolarHBondContact O-N 3.33Å; Q622-R625 PolarHBondContact O-N 3.02Å; S623-R625 PolarHBondContact O-N 2.96Å; R625-D642 IonicContact CZ-OD1 2.81Å; R625-D642 IonicContact NE-OD1 3.24Å; R625-D642 PolarHBondContact NE-OD1 3.38Å; R625-D642 IonicContact NH2-OD1 3.97Å; R625-D642 PolarHBondContact NH2-OD1 3.13Å; R625-L673 HydrophobicContact CG-CD2 3.86Å; R625-D674 IonicContact CZ-OD1 2.96Å; R625-D674 IonicContact CZ-OD2 3.96Å; R625-D674 IonicContact NH1-OD1 3.2Å; R625-D674 PolarHBondContact NH1-OD1 3.45Å; R625-D674 IonicContact NH2-OD1 2.78Å; R625-D674 PolarHBondContact NH2-OD1 2.86Å; R625-D674 IonicContact NH2-OD2 2.68Å; R625-D674 PolarHBondContact NH2-OD2 2.94Å
626S92.8Very high90.3Very high92 Ų9252.7 Ų52.764%0.64329%0.293SS*.THydrogen-bonded Turntrans-87.5-6.4-178.277.20000115.9Q622 S623 I624Q622-S626 PolarHBondContact O-N 3.41Å; S623-S626 WeakPolarHBondContact O-CA 3.46Å; S623-S626 WeakPolarHBondContact O-CB 3.3Å; S623-S626 PolarHBondContact O-N 3.02Å; S623-S626 PolarHBondContact O-OG 3.19Å; I624-S626 PolarHBondContact O-N 2.86Å
627I94.3Very high91.6Very high42 Ų4252.1 Ų52.122%0.21529%0.285CS..SBendtrans-65.1153178.8-65.4165.4000110.5S623 I624 G629 N630 M686S623-I627 PolarHBondContact O-N 3.41Å; I624-I627 HydrophobicContact CG1-CD1 4.49Å; I624-I627 PolarHBondContact O-N 2.83Å; I627-G629 PolarHBondContact O-N 3.03Å; I627-N630 HydrophobicContact CB-CB 4.24Å; I627-N630 WeakPolarHBondContact O-CB 3.44Å; I627-N630 PolarHBondContact O-N 2.92Å; I627-M686 WeakPolarHBondContact CD1-O 3.5Å
628R93.1Very high92.8Very high185 Ų18552 Ų5270%0.69829%0.286SS*.THydrogen-bonded Turntrans-60.2134.4-179.4-56-174.3-178.8179.90.8111.7N630 E692R628-N630 PolarHBondContact O-N 3.11Å; R628-E692 HydrophobicContact CB-CB 4.16Å; R628-E692 WeakPolarHBondContact CB-OE2 3.37Å; R628-E692 WeakPolarHBondContact CD-OE2 3.35Å; R628-E692 PolarHBondContact O-N 3.41Å
629G93.2Very high93.7Very high41 Ų4152.6 Ų52.642%0.42329%0.285SS..THydrogen-bonded Turntrans78.1-26.2-171.100000115I627 G631 R632I627-G629 PolarHBondContact O-N 3.03Å; G629-G631 PolarHBondContact O-N 2.88Å; G629-G631 VanDerWaalsContact O-N 3.14Å; G629-R632 PolarHBondContact O-N 3.27Å
630N96.5Very high94.1Very high2 Ų252.4 Ų52.41%0.01129%0.285CS..THydrogen-bonded Turntrans-68-15.4-173-809.6000114.4I624 I627 R628 R632 P641 L651 G690 N691I624-N630 WeakPolarHBondContact O-CB 3.27Å; I624-N630 PolarHBondContact O-ND2 3.34Å; I627-N630 HydrophobicContact CB-CB 4.24Å; I627-N630 WeakPolarHBondContact O-CB 3.44Å; I627-N630 PolarHBondContact O-N 2.92Å; R628-N630 PolarHBondContact O-N 3.11Å; N630-R632 PolarHBondContact O-N 3.17Å; N630-R632 VanDerWaalsContact O-N 3.17Å; N630-P641 VanDerWaalsContact O-CD 3.22Å; N630-P641 WeakPolarHBondContact O-CD 3.45Å; N630-P641 WeakPolarHBondContact O-CG 3.32Å; N630-L651 HydrophobicContact CB-CD1 3.69Å; N630-L651 HydrophobicContact CB-CG 4.23Å; N630-G690 WeakPolarHBondContact OD1-CA 3.23Å; N630-N691 WeakPolarHBondContact OD1-CB 3.42Å; N630-N691 VanDerWaalsContact OD1-CG 3.27Å; N630-N691 PolarHBondContact OD1-N 3.19Å; N630-N691 PolarHBondContact OD1-OD1 3.34Å
631G95.3Very high94.7Very high36 Ų3651.6 Ų51.637%0.37128%0.278SS..THydrogen-bonded Turntrans-66.5-5.5168.800000115G629 P639 N640G629-G631 PolarHBondContact O-N 2.88Å; G629-G631 VanDerWaalsContact O-N 3.14Å; G631-P639 WeakPolarHBondContact O-CA 3.23Å; G631-N640 PolarHBondContact O-N 3.4Å
632R96.8Very high94.9Very high142 Ų14253.9 Ų53.954%0.53629%0.29SS..BIsolated β-bridgetrans-138.3145.1176.8-64.8-173.8-173.9-78-2.5111.3G629 N630 A634 D637 V638 N691G629-R632 PolarHBondContact O-N 3.27Å; N630-R632 PolarHBondContact O-N 3.17Å; N630-R632 VanDerWaalsContact O-N 3.17Å; R632-A634 PolarHBondContact O-N 2.85Å; R632-D637 PolarHBondContact NH1-O 2.94Å; R632-V638 CarbonylContact C-O 3.6Å; R632-V638 WeakPolarHBondContact CA-O 3.49Å; R632-N691 PolarHBondContact O-ND2 2.86Å
633C97.8Very high95.3Very high0 Ų049.9 Ų49.90%027%0.27CS..  trans-55.6129.2175.9175.10000111.6D635 D637 V638 P641 C653C633-D635 PolarHBondContact O-N 3.24Å; C633-D637 WeakPolarHBondContact O-CA 3.46Å; C633-D637 PolarHBondContact O-N 3.44Å; C633-V638 HydrophobicContact CB-CB 4.04Å; C633-V638 WeakPolarHBondContact CB-O 3.31Å; C633-V638 PolarHBondContact N-O 3.31Å; C633-P641 HydrophobicContact CB-CB 4.33Å; C633-C653 HydrophobicContact CB-CB 4.05Å; C633-C653 PolarHBondContact SG-N 2.91Å
634A97.3Very high95.6Very high1 Ų146.8 Ų46.81%0.00825%0.249CC..THydrogen-bonded Turntrans-55.4-28.2-177.100000113.9R632 A650 L651 I652 N691 N695 K707 K724R632-A634 PolarHBondContact O-N 2.85Å; A634-A650 HydrophobicContact CB-CB 4.04Å; A634-L651 WeakPolarHBondContact CB-O 3.09Å; A634-L651 PolarHBondContact N-O 3.46Å; A634-I652 HydrophobicContact CB-CG2 4.08Å; A634-N691 PolarHBondContact N-ND2 2.92Å; A634-N695 PolarHBondContact O-ND2 3.26Å; A634-N695 PolarHBondContact O-OD1 3.11Å; A634-K707 VanDerWaalsContact O-CE 3.28Å; A634-K707 WeakPolarHBondContact O-CE 3.35Å; A634-K707 PolarHBondContact O-NZ 2.97Å; A634-K724 PolarHBondContact O-NZ 3.34Å
635D97.6Very high95.8Very high0 Ų046.8 Ų46.80%025%0.249CC..THydrogen-bonded Turntrans-110.2-22.3-169.4-49.9-55000114.8C633 I652 H660 K707 P708 I721 K724 Y725C633-D635 PolarHBondContact O-N 3.24Å; D635-I652 WeakPolarHBondContact OD2-CG2 3.25Å; D635-H660 IonicContact OD2-NE2 2.72Å; D635-H660 PolarHBondContact OD2-NE2 2.75Å; D635-K707 WeakPolarHBondContact O-CE 3.46Å; D635-P708 WeakPolarHBondContact O-CG 3.36Å; D635-I721 HydrophobicContact CB-CD1 4.18Å; D635-I721 HydrophobicContact CB-CG1 3.88Å; D635-K724 WeakPolarHBondContact OD1-CD 3.25Å; D635-K724 WeakPolarHBondContact OD1-CE 3.49Å; D635-K724 IonicContact OD1-NZ 3.82Å; D635-K724 PolarHBondContact OD1-NZ 2.95Å; D635-Y725 VanDerWaalsContact OD1-CE2 3.29Å; D635-Y725 WeakPolarHBondContact OD1-CE2 3.24Å; D635-Y725 PolarHBondContact OD1-OH 2.88Å
636C96.2Very high95.9Very high0 Ų044.1 Ų44.10%024%0.239CC..THydrogen-bonded Turntrans-141.811.9-178.767.50000115.6V638 C653 C656 P708 G709C636-V638 PolarHBondContact O-N 2.95Å; C636-V638 WeakPolarHBondContact SG-CG2 3.34Å; C636-C653 VanDerWaalsContact SG-SG 3.65Å; C636-C656 PolarHBondContact SG-SG 3.05Å; C636-P708 CarbonylContact C-O 3.58Å; C636-P708 WeakPolarHBondContact CA-O 3.35Å; C636-P708 HydrophobicContact CB-CG 4.14Å; C636-P708 WeakPolarHBondContact CB-O 3.43Å; C636-G709 CarbonylContact O-C 3.6Å
637D96Very high95.9Very high59 Ų5940 Ų4032%0.31621%0.21SC..  trans56.78.1173.1-57.2-33.8000117.6R632 C633 K707R632-D637 PolarHBondContact NH1-O 2.94Å; C633-D637 WeakPolarHBondContact O-CA 3.46Å; C633-D637 PolarHBondContact O-N 3.44Å; D637-K707 WeakPolarHBondContact OD1-CE 3.27Å; D637-K707 IonicContact OD1-NZ 2.73Å; D637-K707 PolarHBondContact OD1-NZ 3.01Å; D637-K707 WeakPolarHBondContact OD2-CD 3.23Å; D637-K707 IonicContact OD2-NZ 2.8Å
638V96.9Very high96Very high31 Ų3138.1 Ų38.119%0.18820%0.2CC..  trans-47.5127.5165.8170.70000109.6R632 C633 C636 C653 P710R632-V638 CarbonylContact C-O 3.6Å; R632-V638 WeakPolarHBondContact CA-O 3.49Å; C633-V638 HydrophobicContact CB-CB 4.04Å; C633-V638 WeakPolarHBondContact CB-O 3.31Å; C633-V638 PolarHBondContact N-O 3.31Å; C636-V638 PolarHBondContact O-N 2.95Å; C636-V638 WeakPolarHBondContact SG-CG2 3.34Å; V638-C653 HydrophobicContact CB-CB 4.12Å; V638-C653 HydrophobicContact CG1-CB 3.94Å; V638-P710 HydrophobicContact CG2-CB 3.9Å; V638-P710 HydrophobicContact CG2-CG 4.49Å
639P96.5Very high96.2Very high72 Ų7229.3 Ų29.347%0.46817%0.167SC..BIsolated β-bridgetrans-66.6155.5-17829.1-36000112.3G631G631-P639 WeakPolarHBondContact O-CA 3.23Å
640N93.5Very high96.4Very high121 Ų12127.4 Ų27.465%0.64715%0.147SC*.SBendtrans52.766.4174.4-55.4-20.2000114.3G631 D642G631-N640 PolarHBondContact O-N 3.4Å; N640-D642 PolarHBondContact O-N 3.06Å
641P96.4Very high96.5Very high2 Ų227.3 Ų27.31%0.01315%0.147CC..  trans-73108.717630.3-37.1000113.7N630 C633 W643 L651 I652N630-P641 VanDerWaalsContact O-CD 3.22Å; N630-P641 WeakPolarHBondContact O-CD 3.45Å; N630-P641 WeakPolarHBondContact O-CG 3.32Å; C633-P641 HydrophobicContact CB-CB 4.33Å; P641-W643 VanDerWaalsContact C-N 3.35Å; P641-W643 PolarHBondContact O-N 3.42Å; P641-L651 HydrophobicContact CB-CB 3.89Å; P641-L651 HydrophobicContact CG-CB 3.53Å; P641-L651 HydrophobicContact CG-CD1 4.21Å; P641-I652 VanDerWaalsContact CB-O 3.32Å; P641-I652 WeakPolarHBondContact CB-O 3.33Å
642D94.5Very high96.6Very high61 Ų6125.6 Ų25.633%0.32613%0.129SC..  trans-92.317.5-179.3-56.1-46.4000114.9R625 N640 S672 L673R625-D642 IonicContact CZ-OD1 2.81Å; R625-D642 IonicContact NE-OD1 3.24Å; R625-D642 PolarHBondContact NE-OD1 3.38Å; R625-D642 IonicContact NH2-OD1 3.97Å; R625-D642 PolarHBondContact NH2-OD1 3.13Å; N640-D642 PolarHBondContact O-N 3.06Å; D642-S672 PolarHBondContact O-OG 3.44Å; D642-L673 PolarHBondContact O-N 3.46Å
643W97.8Very high96.7Very high32 Ų3219.3 Ų19.312%0.12111%0.107CC..EExtended strand (participates in β ladder)trans-126158.8170.5-63.978000110.6P641 L651 I652 S657 V670 R671 S672 L675P641-W643 VanDerWaalsContact C-N 3.35Å; P641-W643 PolarHBondContact O-N 3.42Å; W643-L651 CarbonylContact O-C 3.4Å; W643-L651 VanDerWaalsContact O-CA 3.26Å; W643-L651 WeakPolarHBondContact O-CA 3.33Å; W643-I652 CarbonylContact C-O 3.57Å; W643-I652 WeakPolarHBondContact CA-O 3.5Å; W643-I652 HydrophobicContact CB-CG1 3.95Å; W643-I652 WeakPolarHBondContact CB-O 3.39Å; W643-I652 PolarHBondContact N-O 2.97Å; W643-I652 VanDerWaalsContact N-O 3.16Å; W643-I652 PolarHBondContact O-N 3.26Å; W643-I652 VanDerWaalsContact O-O 3.11Å; W643-S657 VanDerWaalsContact CD2-OG 3.28Å; W643-V670 HydrophobicContact CE3-CG1 3.82Å; W643-V670 HydrophobicContact CZ3-CG1 4.4Å; W643-R671 CarbonylContact C-O 3.53Å; W643-R671 WeakPolarHBondContact CA-O 3.31Å; W643-R671 VanDerWaalsContact CE3-C 3.43Å; W643-S672 VanDerWaalsContact CZ3-CB 3.47Å; W643-L675 HydrophobicContact CH2-CD1 4.32Å; W643-L675 HydrophobicContact CZ2-CD1 4.2Å
644A97.8Very high96.6Very high0 Ų024.9 Ų24.90%014%0.135CC..EExtended strand (participates in β ladder)trans-133.4151.5179.600000111.7A650 L651 V670 R671 L673 W678 M686A644-A650 CarbonylContact C-O 3.52Å; A644-A650 VanDerWaalsContact CA-O 3.31Å; A644-A650 WeakPolarHBondContact CA-O 3.28Å; A644-L651 HydrophobicContact CB-CD2 3.79Å; A644-V670 VanDerWaalsContact O-CA 3.32Å; A644-V670 WeakPolarHBondContact O-CA 3.35Å; A644-R671 PolarHBondContact N-O 3.31Å; A644-R671 PolarHBondContact O-N 3.49Å; A644-L673 HydrophobicContact CB-CD1 4.03Å; A644-W678 HydrophobicContact CB-CH2 3.71Å; A644-W678 HydrophobicContact CB-CZ2 4.15Å; A644-M686 HydrophobicContact CB-CE 3.82Å; A644-M686 HydrophobicContact CB-SD 4.22Å
645S97.8Very high96.5Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-107.9108157.8-178.10000109.7N647 L648 G649 A650 S668 R669S645-N647 PolarHBondContact O-N 2.96Å; S645-L648 PolarHBondContact O-N 2.84Å; S645-L648 VanDerWaalsContact O-N 3.17Å; S645-L648 WeakPolarHBondContact OG-CD1 3.48Å; S645-L648 WeakPolarHBondContact OG-CG 3.46Å; S645-G649 PolarHBondContact O-N 3.43Å; S645-A650 PolarHBondContact N-O 3.16Å; S645-A650 PolarHBondContact O-N 2.88Å; S645-S668 WeakPolarHBondContact CB-OG 3.42Å; S645-S668 PolarHBondContact OG-OG 3.01Å; S645-R669 WeakPolarHBondContact CA-O 3.19Å
646L95.6Very high96.5Very high7 Ų729.2 Ų29.24%0.03716%0.156CC..G310 helixtrans-59-49.7-169.4-62.2175.1000112.5L648 G649 R669 R671 W678 L682 M686 W797L646-L648 PolarHBondContact O-N 3.11Å; L646-G649 PolarHBondContact O-N 3.11Å; L646-R669 HydrophobicContact CB-CB 4.2Å; L646-R669 HydrophobicContact CD1-CB 4.38Å; L646-R669 WeakPolarHBondContact CG-O 3.28Å; L646-R669 PolarHBondContact N-O 3.28Å; L646-R671 HydrophobicContact CD1-CG 3.74Å; L646-R671 HydrophobicContact CD2-CB 4.43Å; L646-R671 HydrophobicContact CD2-CG 4.18Å; L646-R671 HydrophobicContact CG-CG 4.03Å; L646-W678 HydrophobicContact CD2-CH2 3.59Å; L646-W678 HydrophobicContact CD2-CZ3 3.55Å; L646-L682 HydrophobicContact CD1-CD1 4.03Å; L646-L682 HydrophobicContact CD1-CD2 4.15Å; L646-L682 HydrophobicContact CD2-CB 4.27Å; L646-L682 HydrophobicContact CD2-CD1 4.13Å; L646-M686 HydrophobicContact CD2-CG 4.46Å; L646-M686 HydrophobicContact CD2-SD 4.46Å; L646-W797 HydrophobicContact CB-CH2 3.68Å; L646-W797 HydrophobicContact CB-CZ2 4.17Å; L646-W797 HydrophobicContact CB-CZ3 3.86Å; L646-W797 HydrophobicContact CD1-CH2 4.47Å; L646-W797 HydrophobicContact CD1-CZ2 4.32Å; L646-W797 VanDerWaalsContact O-CZ3 3.31Å; L646-W797 WeakPolarHBondContact O-CZ3 3.19Å
647N94.1Very high96.6Very high5 Ų529.3 Ų29.33%0.02716%0.156CC..G310 helixtrans-76.8-4.4-177.568.6-91.1000114.3S645 L667 R669 W797 Y798S645-N647 PolarHBondContact O-N 2.96Å; N647-L667 PolarHBondContact ND2-O 3.44Å; N647-R669 WeakPolarHBondContact OD1-CB 3.44Å; N647-R669 PolarHBondContact OD1-N 2.9Å; N647-W797 HydrophobicContact CB-CB 4.2Å; N647-W797 HydrophobicContact CB-CD2 4.3Å; N647-W797 HydrophobicContact CB-CE3 3.84Å; N647-W797 HydrophobicContact CB-CG 4.5Å; N647-Y798 HydrophobicContact CB-CE2 4.19Å; N647-Y798 WeakPolarHBondContact O-CE2 3.37Å; N647-Y798 PolarHBondContact O-OH 3.05Å
648L96.2Very high96.6Very high3 Ų327.8 Ų27.82%0.01615%0.154CC..G310 helixtrans-105.4-10.5172.5-55.6176000111.4S645 L646 A650 W698 Y725S645-L648 PolarHBondContact O-N 2.84Å; S645-L648 VanDerWaalsContact O-N 3.17Å; S645-L648 WeakPolarHBondContact OG-CD1 3.48Å; S645-L648 WeakPolarHBondContact OG-CG 3.46Å; L646-L648 PolarHBondContact O-N 3.11Å; L648-A650 HydrophobicContact CB-CB 4.33Å; L648-A650 PolarHBondContact O-N 3.43Å; L648-W698 HydrophobicContact CD2-CH2 4.34Å; L648-W698 HydrophobicContact CD2-CZ2 3.62Å; L648-Y725 HydrophobicContact CD1-CD1 3.74Å; L648-Y725 HydrophobicContact CD1-CE1 3.56Å; L648-Y725 HydrophobicContact CD1-CG 4.3Å; L648-Y725 HydrophobicContact CD2-CD1 4.24Å; L648-Y725 HydrophobicContact CD2-CE1 4.38Å; L648-Y725 HydrophobicContact CG-CE1 4.49Å
649G96.2Very high96.7Very high0 Ų026.4 Ų26.40%015%0.146CC..THydrogen-bonded Turntrans66.119.6-178.100000114.8S645 L646 M686 G690S645-G649 PolarHBondContact O-N 3.43Å; L646-G649 PolarHBondContact O-N 3.11Å; G649-M686 VanDerWaalsContact C-CE 3.45Å; G649-G690 WeakPolarHBondContact O-CA 3.07Å; G649-G690 PolarHBondContact O-N 3.32Å
650A97.7Very high96.7Very high1 Ų123 Ų231%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-119.5141.4-164.300000113.3A634 A644 S645 L648 N691 A694A634-A650 HydrophobicContact CB-CB 4.04Å; A644-A650 CarbonylContact C-O 3.52Å; A644-A650 VanDerWaalsContact CA-O 3.31Å; A644-A650 WeakPolarHBondContact CA-O 3.28Å; S645-A650 PolarHBondContact N-O 3.16Å; S645-A650 PolarHBondContact O-N 2.88Å; L648-A650 HydrophobicContact CB-CB 4.33Å; L648-A650 PolarHBondContact O-N 3.43Å; A650-N691 WeakPolarHBondContact CA-OD1 3.49Å; A650-N691 WeakPolarHBondContact CB-OD1 3.28Å; A650-A694 HydrophobicContact CB-CB 3.99Å
651L98.3Very high96.8Very high1 Ų123.4 Ų23.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-91.4134.7171.8-59.4-168.2000112.2I624 N630 A634 P641 W643 A644 L673 M686 N691I624-L651 HydrophobicContact CG2-CD1 4.21Å; I624-L651 HydrophobicContact CG2-CD2 4.12Å; I624-L651 HydrophobicContact CG2-CG 4.47Å; N630-L651 HydrophobicContact CB-CD1 3.69Å; N630-L651 HydrophobicContact CB-CG 4.23Å; A634-L651 WeakPolarHBondContact CB-O 3.09Å; A634-L651 PolarHBondContact N-O 3.46Å; P641-L651 HydrophobicContact CB-CB 3.89Å; P641-L651 HydrophobicContact CG-CB 3.53Å; P641-L651 HydrophobicContact CG-CD1 4.21Å; W643-L651 CarbonylContact O-C 3.4Å; W643-L651 VanDerWaalsContact O-CA 3.26Å; W643-L651 WeakPolarHBondContact O-CA 3.33Å; A644-L651 HydrophobicContact CB-CD2 3.79Å; L651-L673 HydrophobicContact CD1-CD2 4.3Å; L651-L673 HydrophobicContact CD2-CD1 3.69Å; L651-L673 HydrophobicContact CD2-CD2 4.24Å; L651-M686 HydrophobicContact CD2-CE 3.59Å; L651-M686 HydrophobicContact CG-CE 4.35Å; L651-N691 PolarHBondContact N-OD1 3.47Å; L651-N691 PolarHBondContact O-ND2 3.34Å
652I98.2Very high96.8Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-133.2153-174.259.8-176.5000110.7A634 D635 P641 W643 C656 H660A634-I652 HydrophobicContact CB-CG2 4.08Å; D635-I652 WeakPolarHBondContact OD2-CG2 3.25Å; P641-I652 VanDerWaalsContact CB-O 3.32Å; P641-I652 WeakPolarHBondContact CB-O 3.33Å; W643-I652 CarbonylContact C-O 3.57Å; W643-I652 WeakPolarHBondContact CA-O 3.5Å; W643-I652 HydrophobicContact CB-CG1 3.95Å; W643-I652 WeakPolarHBondContact CB-O 3.39Å; W643-I652 PolarHBondContact N-O 2.97Å; W643-I652 VanDerWaalsContact N-O 3.16Å; W643-I652 PolarHBondContact O-N 3.26Å; W643-I652 VanDerWaalsContact O-O 3.11Å; I652-C656 HydrophobicContact CB-CB 4.12Å; I652-H660 HydrophobicContact CD1-CB 4.04Å
653C97.5Very high96.8Very high9 Ų925.3 Ų25.36%0.06113%0.126CC..  trans-76.2169176.373.50000111.6C633 C636 V638 E655 C656 S657C633-C653 HydrophobicContact CB-CB 4.05Å; C633-C653 PolarHBondContact SG-N 2.91Å; C636-C653 VanDerWaalsContact SG-SG 3.65Å; V638-C653 HydrophobicContact CB-CB 4.12Å; V638-C653 HydrophobicContact CG1-CB 3.94Å; C653-E655 VanDerWaalsContact C-N 3.29Å; C653-E655 PolarHBondContact O-N 3.3Å; C653-C656 PolarHBondContact O-N 3.1Å; C653-S657 WeakPolarHBondContact O-CB 3.43Å; C653-S657 PolarHBondContact O-N 3.17Å
654I95.9Very high96.5Very high117 Ų11725 Ų2560%0.613%0.133SC*.Hα-helixtrans-57.3-35.4-178.1-171.3166.2000114.1S657 G658I654-S657 PolarHBondContact O-OG 3.16Å; I654-S657 VanDerWaalsContact O-OG 3.1Å; I654-G658 PolarHBondContact O-N 2.92Å; I654-G658 VanDerWaalsContact O-N 3.13Å
655E96.8Very high96.1Very high93 Ų9330 Ų3044%0.43516%0.164SC..Hα-helixtrans-74.3-43.5177.5-70.2176.2-118.200112.5C653 S657 G658 I659 R717C653-E655 VanDerWaalsContact C-N 3.29Å; C653-E655 PolarHBondContact O-N 3.3Å; E655-S657 VanDerWaalsContact C-N 3.29Å; E655-S657 PolarHBondContact O-N 3.12Å; E655-G658 WeakPolarHBondContact O-CA 3.25Å; E655-G658 PolarHBondContact O-N 3.4Å; E655-G658 VanDerWaalsContact O-N 3.15Å; E655-I659 PolarHBondContact O-N 3.21Å; E655-I659 VanDerWaalsContact O-N 3.14Å; E655-R717 IonicContact OE1-CZ 3.48Å; E655-R717 IonicContact OE1-NH1 2.69Å; E655-R717 PolarHBondContact OE1-NH1 3.43Å; E655-R717 IonicContact OE2-CZ 3.17Å; E655-R717 VanDerWaalsContact OE2-CZ 3.26Å; E655-R717 IonicContact OE2-NE 2.8Å; E655-R717 IonicContact OE2-NH1 2.69Å; E655-R717 PolarHBondContact OE2-NH1 3.24Å
656C97.8Very high95.5Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-64.4-36.9175.6-65.50000110.7C636 I652 C653 G658 I659 H660 I721C636-C656 PolarHBondContact SG-SG 3.05Å; I652-C656 HydrophobicContact CB-CB 4.12Å; C653-C656 PolarHBondContact O-N 3.1Å; C656-G658 VanDerWaalsContact C-N 3.3Å; C656-G658 PolarHBondContact O-N 3.09Å; C656-I659 PolarHBondContact O-N 3.28Å; C656-I659 VanDerWaalsContact O-N 3.11Å; C656-H660 WeakPolarHBondContact O-CB 3.44Å; C656-H660 PolarHBondContact O-CD2 3.41Å; C656-H660 PolarHBondContact O-N 2.89Å; C656-I721 HydrophobicContact CB-CD1 3.86Å
657S97.6Very high95.3Very high2 Ų238 Ų381%0.01420%0.201CC..Hα-helixtrans-63.9-35.1173.794.30000112.4W643 C653 I654 E655 H660 R661W643-S657 VanDerWaalsContact CD2-OG 3.28Å; C653-S657 WeakPolarHBondContact O-CB 3.43Å; C653-S657 PolarHBondContact O-N 3.17Å; I654-S657 PolarHBondContact O-OG 3.16Å; I654-S657 VanDerWaalsContact O-OG 3.1Å; E655-S657 VanDerWaalsContact C-N 3.29Å; E655-S657 PolarHBondContact O-N 3.12Å; S657-H660 PolarHBondContact O-N 2.74Å; S657-R661 VanDerWaalsContact O-CG 3.28Å; S657-R661 WeakPolarHBondContact O-CG 3.48Å; S657-R661 PolarHBondContact O-N 3.2Å
658G96.3Very high95.4Very high27 Ų2737.9 Ų37.928%0.27820%0.201SC..Hα-helixtrans-60-40.1169.800000113.5I654 E655 C656I654-G658 PolarHBondContact O-N 2.92Å; I654-G658 VanDerWaalsContact O-N 3.13Å; E655-G658 WeakPolarHBondContact O-CA 3.25Å; E655-G658 PolarHBondContact O-N 3.4Å; E655-G658 VanDerWaalsContact O-N 3.15Å; C656-G658 VanDerWaalsContact C-N 3.3Å; C656-G658 PolarHBondContact O-N 3.09Å
659I97.6Very high95.4Very high1 Ų140.7 Ų40.71%0.00521%0.211CC..Hα-helixtrans-73.8-42.2176.2-61.3162.3000110.8E655 C656 R661 N662 L663 R714 R717 E718 I721E655-I659 PolarHBondContact O-N 3.21Å; E655-I659 VanDerWaalsContact O-N 3.14Å; C656-I659 PolarHBondContact O-N 3.28Å; C656-I659 VanDerWaalsContact O-N 3.11Å; I659-R661 PolarHBondContact O-N 2.74Å; I659-N662 WeakPolarHBondContact O-CA 3.48Å; I659-N662 WeakPolarHBondContact O-CB 3.46Å; I659-N662 PolarHBondContact O-N 2.82Å; I659-L663 PolarHBondContact O-N 3.43Å; I659-R714 HydrophobicContact CD1-CG 4.4Å; I659-R717 HydrophobicContact CD1-CB 3.59Å; I659-E718 HydrophobicContact CD1-CB 4.07Å; I659-E718 HydrophobicContact CG1-CB 4.34Å; I659-E718 HydrophobicContact CG2-CB 4Å; I659-E718 HydrophobicContact CG2-CG 3.89Å; I659-I721 HydrophobicContact CB-CD1 4.02Å; I659-I721 HydrophobicContact CD1-CD1 3.88Å; I659-I721 HydrophobicContact CG2-CB 4.05Å; I659-I721 HydrophobicContact CG2-CD1 4Å; I659-I721 HydrophobicContact CG2-CG2 3.68Å
660H97.8Very high95.4Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-59.9-31.9176.7-87.6-117.8000113.1D635 I652 C656 S657 N662 L663 S668 V670 Y725D635-H660 IonicContact OD2-NE2 2.72Å; D635-H660 PolarHBondContact OD2-NE2 2.75Å; I652-H660 HydrophobicContact CD1-CB 4.04Å; C656-H660 WeakPolarHBondContact O-CB 3.44Å; C656-H660 PolarHBondContact O-CD2 3.41Å; C656-H660 PolarHBondContact O-N 2.89Å; S657-H660 PolarHBondContact O-N 2.74Å; H660-N662 VanDerWaalsContact C-N 3.29Å; H660-N662 PolarHBondContact O-N 3.43Å; H660-L663 PolarHBondContact O-N 3.26Å; H660-S668 WeakPolarHBondContact CB-OG 3.49Å; H660-S668 PolarHBondContact ND1-OG 2.64Å; H660-V670 HydrophobicContact CB-CG2 3.6Å; H660-Y725 AromaticContact CE1-CD2 3.66Å; H660-Y725 AromaticContact CE1-CE2 3.25Å; H660-Y725 WeakPolarHBondContact CE1-CE2 3.24Å; H660-Y725 AromaticContact CE1-CZ 3.78Å; H660-Y725 AromaticContact NE2-CD2 3.71Å; H660-Y725 AromaticContact NE2-CE2 3.24Å; H660-Y725 WeakPolarHBondContact NE2-CE2 3.27Å
661R96.1Very high95.4Very high130 Ų13045.9 Ų45.949%0.49123%0.232SC..Hα-helixtrans-62.3-35.3171.2-73.4165.5-177.9-82.33.9112.3S657 I659 L663 G664 V670S657-R661 VanDerWaalsContact O-CG 3.28Å; S657-R661 WeakPolarHBondContact O-CG 3.48Å; S657-R661 PolarHBondContact O-N 3.2Å; I659-R661 PolarHBondContact O-N 2.74Å; R661-L663 VanDerWaalsContact C-N 3.35Å; R661-G664 PolarHBondContact O-N 3.23Å; R661-V670 HydrophobicContact CG-CB 4.17Å; R661-V670 HydrophobicContact CG-CG1 4.32Å; R661-V670 HydrophobicContact CG-CG2 4.11Å
662N95.9Very high95.2Very high96 Ų9646 Ų4651%0.51323%0.233SC..Hα-helixtrans-75.2-19.5178.8-67.1-5.9000113.6I659 H660 G664I659-N662 WeakPolarHBondContact O-CA 3.48Å; I659-N662 WeakPolarHBondContact O-CB 3.46Å; I659-N662 PolarHBondContact O-N 2.82Å; H660-N662 VanDerWaalsContact C-N 3.29Å; H660-N662 PolarHBondContact O-N 3.43Å; N662-G664 VanDerWaalsContact C-N 3.28Å
663L94Very high94.9Very high7 Ų746.2 Ų46.24%0.03723%0.234CC..Hα-helixtrans-71.8-24171.2-58.3-176.1000112.6I659 H660 R661 H666 L667 I721 R722 Y725 E726I659-L663 PolarHBondContact O-N 3.43Å; H660-L663 PolarHBondContact O-N 3.26Å; R661-L663 VanDerWaalsContact C-N 3.35Å; L663-H666 PolarHBondContact O-CE1 2.82Å; L663-H666 VanDerWaalsContact O-CE1 3.27Å; L663-L667 HydrophobicContact CB-CB 4.17Å; L663-L667 HydrophobicContact CB-CD1 4.11Å; L663-I721 HydrophobicContact CD1-CG2 3.84Å; L663-I721 HydrophobicContact CG-CG2 4.44Å; L663-R722 HydrophobicContact CD2-CG 4.03Å; L663-Y725 HydrophobicContact CD1-CD2 4.45Å; L663-E726 HydrophobicContact CD2-CB 4.4Å
664G90.8Very high94.4Very high25 Ų2550.3 Ų50.326%0.25826%0.255SS..  trans83.2160.3-177.600000114.7R661 N662 H666 L667 S668R661-G664 PolarHBondContact O-N 3.23Å; N662-G664 VanDerWaalsContact C-N 3.28Å; G664-H666 PolarHBondContact O-N 2.95Å; G664-H666 VanDerWaalsContact O-N 3.07Å; G664-L667 PolarHBondContact O-N 3.43Å; G664-L667 VanDerWaalsContact O-N 3.07Å; G664-S668 PolarHBondContact O-N 2.75Å
665T90.6Very high94Very high106 Ų10651.3 Ų51.365%0.6526%0.261SS*.THydrogen-bonded Turntrans-67.3-11.1-168.651.60000115.6R669T665-R669 WeakPolarHBondContact O-CG 3.46Å
666H85.3Confident93.6Very high147 Ų14749.8 Ų49.868%0.68126%0.256SS*.THydrogen-bonded Turntrans-82.8-19.3175.571.5-73.7000112.9L663 G664L663-H666 PolarHBondContact O-CE1 2.82Å; L663-H666 VanDerWaalsContact O-CE1 3.27Å; G664-H666 PolarHBondContact O-N 2.95Å; G664-H666 VanDerWaalsContact O-N 3.07Å
667L91.8Very high93.1Very high27 Ų2756.3 Ų56.314%0.14129%0.286CS..THydrogen-bonded Turntrans-104.8-42170.5-65.8174.8000111.3N647 L663 G664 E726N647-L667 PolarHBondContact ND2-O 3.44Å; L663-L667 HydrophobicContact CB-CB 4.17Å; L663-L667 HydrophobicContact CB-CD1 4.11Å; G664-L667 PolarHBondContact O-N 3.43Å; G664-L667 VanDerWaalsContact O-N 3.07Å; L667-E726 HydrophobicContact CD1-CB 4.06Å; L667-E726 HydrophobicContact CD1-CG 4.31Å
668S96.1Very high92.7Very high3 Ų356.6 Ų56.62%0.02129%0.287CS..  trans-144.3115.8-173.8-177.40000113.6S645 H660 G664S645-S668 WeakPolarHBondContact CB-OG 3.42Å; S645-S668 PolarHBondContact OG-OG 3.01Å; H660-S668 WeakPolarHBondContact CB-OG 3.49Å; H660-S668 PolarHBondContact ND1-OG 2.64Å; G664-S668 PolarHBondContact O-N 2.75Å
669R95.5Very high92.3Very high63 Ų6358 Ų5824%0.23829%0.291CS..  trans-92.695.2172.7-68179174.984.4-12.4110.4S645 L646 N647 T665 W797S645-R669 WeakPolarHBondContact CA-O 3.19Å; L646-R669 HydrophobicContact CB-CB 4.2Å; L646-R669 HydrophobicContact CD1-CB 4.38Å; L646-R669 WeakPolarHBondContact CG-O 3.28Å; L646-R669 PolarHBondContact N-O 3.28Å; N647-R669 WeakPolarHBondContact OD1-CB 3.44Å; N647-R669 PolarHBondContact OD1-N 2.9Å; T665-R669 WeakPolarHBondContact O-CG 3.46Å; R669-W797 VanDerWaalsContact CZ-O 3.31Å; R669-W797 PolarHBondContact NH1-O 3.29Å; R669-W797 PolarHBondContact NH2-O 3.38Å
670V97.1Very high91.7Very high11 Ų1162.3 Ų62.37%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-81139.7-174.7-178.90000113.1W643 A644 H660 R661W643-V670 HydrophobicContact CE3-CG1 3.82Å; W643-V670 HydrophobicContact CZ3-CG1 4.4Å; A644-V670 VanDerWaalsContact O-CA 3.32Å; A644-V670 WeakPolarHBondContact O-CA 3.35Å; H660-V670 HydrophobicContact CB-CG2 3.6Å; R661-V670 HydrophobicContact CG-CB 4.17Å; R661-V670 HydrophobicContact CG-CG1 4.32Å; R661-V670 HydrophobicContact CG-CG2 4.11Å
671R95.9Very high91.2Very high99 Ų9963.7 Ų63.737%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-141.3153.3168.9-72.9-64.9-178-88.47.1111.7W643 A644 L646 D676 W678W643-R671 CarbonylContact C-O 3.53Å; W643-R671 WeakPolarHBondContact CA-O 3.31Å; W643-R671 VanDerWaalsContact CE3-C 3.43Å; A644-R671 PolarHBondContact N-O 3.31Å; A644-R671 PolarHBondContact O-N 3.49Å; L646-R671 HydrophobicContact CD1-CG 3.74Å; L646-R671 HydrophobicContact CD2-CB 4.43Å; L646-R671 HydrophobicContact CD2-CG 4.18Å; L646-R671 HydrophobicContact CG-CG 4.03Å; R671-D676 VanDerWaalsContact CA-OD2 3.29Å; R671-D676 WeakPolarHBondContact CA-OD2 3.45Å; R671-D676 HydrophobicContact CB-CB 4.48Å; R671-D676 VanDerWaalsContact CD-CG 3.42Å; R671-D676 VanDerWaalsContact CD-OD2 3.28Å; R671-D676 WeakPolarHBondContact CD-OD2 3.34Å; R671-W678 HydrophobicContact CB-CH2 4.28Å; R671-W678 HydrophobicContact CB-CZ2 3.82Å
672S95.3Very high91Very high3 Ų358.2 Ų58.22%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-88.9148.1166.6-179.50000110.4D642 W643 D674 L675 D676 W678D642-S672 PolarHBondContact O-OG 3.44Å; W643-S672 VanDerWaalsContact CZ3-CB 3.47Å; S672-D674 PolarHBondContact OG-N 3.01Å; S672-L675 PolarHBondContact OG-N 3.15Å; S672-D676 PolarHBondContact N-OD2 3.1Å; S672-W678 PolarHBondContact O-NE1 3.01Å
673L91.6Very high90.9Very high4 Ų454.2 Ų54.22%0.02128%0.279CS..THydrogen-bonded Turntrans-75.7-23.1172.3-84.375.1000112.9L621 I624 R625 D642 A644 L651 W678L621-L673 WeakPolarHBondContact CD1-O 3.45Å; L621-L673 HydrophobicContact CD2-CB 4.36Å; L621-L673 HydrophobicContact CD2-CD2 4.35Å; L621-L673 HydrophobicContact CD2-CG 4.03Å; I624-L673 HydrophobicContact CG2-CD2 4.45Å; R625-L673 HydrophobicContact CG-CD2 3.86Å; D642-L673 PolarHBondContact O-N 3.46Å; A644-L673 HydrophobicContact CB-CD1 4.03Å; L651-L673 HydrophobicContact CD1-CD2 4.3Å; L651-L673 HydrophobicContact CD2-CD1 3.69Å; L651-L673 HydrophobicContact CD2-CD2 4.24Å; L673-W678 HydrophobicContact CD1-CZ2 4.1Å; L673-W678 HydrophobicContact CG-CZ2 4.22Å
674D86.9Confident90.8Very high96 Ų9657.6 Ų57.651%0.51329%0.293SS..THydrogen-bonded Turntrans-118-8.9-173.6-45.8-67000114.2R625 S672R625-D674 IonicContact CZ-OD1 2.96Å; R625-D674 IonicContact CZ-OD2 3.96Å; R625-D674 IonicContact NH1-OD1 3.2Å; R625-D674 PolarHBondContact NH1-OD1 3.45Å; R625-D674 IonicContact NH2-OD1 2.78Å; R625-D674 PolarHBondContact NH2-OD1 2.86Å; R625-D674 IonicContact NH2-OD2 2.68Å; R625-D674 PolarHBondContact NH2-OD2 2.94Å; S672-D674 PolarHBondContact OG-N 3.01Å
675L86.5Confident91Very high137 Ų13756.4 Ų56.472%0.71728%0.281SS*.THydrogen-bonded Turntrans-117.8-14.4-175.5-54.4175.1000115.3W643 S672W643-L675 HydrophobicContact CH2-CD1 4.32Å; W643-L675 HydrophobicContact CZ2-CD1 4.2Å; S672-L675 PolarHBondContact OG-N 3.15Å
676D90.3Very high91.2Very high62 Ų6251.4 Ų51.433%0.33225%0.251SS..SBendtrans-113.4153.9176.4-68.8-62.8000109.9R671 S672R671-D676 VanDerWaalsContact CA-OD2 3.29Å; R671-D676 WeakPolarHBondContact CA-OD2 3.45Å; R671-D676 HydrophobicContact CB-CB 4.48Å; R671-D676 VanDerWaalsContact CD-CG 3.42Å; R671-D676 VanDerWaalsContact CD-OD2 3.28Å; R671-D676 WeakPolarHBondContact CD-OD2 3.34Å; S672-D676 PolarHBondContact N-OD2 3.1Å
677E86Confident91.6Very high137 Ų13747 Ų4764%0.6424%0.236SC*.  trans-76.7143.6174-63.7-178.2159.200111.7P679E677-P679 VanDerWaalsContact O-CD 3.3Å; E677-P679 WeakPolarHBondContact O-CD 3.21Å
678W88.7Confident91.8Very high8 Ų847.7 Ų47.73%0.0325%0.246CC..  trans-119.190.2-174.7-76.783.9000114E617 L621 A644 L646 R671 S672 L673 L682 I683 M686E617-W678 HydrophobicContact CG-CB 4.13Å; E617-W678 PolarHBondContact OE1-N 2.92Å; L621-W678 HydrophobicContact CD1-CG 4.38Å; L621-W678 HydrophobicContact CD2-CB 4.43Å; L621-W678 HydrophobicContact CD2-CD2 3.79Å; L621-W678 HydrophobicContact CD2-CE3 4.38Å; L621-W678 HydrophobicContact CD2-CG 3.78Å; A644-W678 HydrophobicContact CB-CH2 3.71Å; A644-W678 HydrophobicContact CB-CZ2 4.15Å; L646-W678 HydrophobicContact CD2-CH2 3.59Å; L646-W678 HydrophobicContact CD2-CZ3 3.55Å; R671-W678 HydrophobicContact CB-CH2 4.28Å; R671-W678 HydrophobicContact CB-CZ2 3.82Å; S672-W678 PolarHBondContact O-NE1 3.01Å; L673-W678 HydrophobicContact CD1-CZ2 4.1Å; L673-W678 HydrophobicContact CG-CZ2 4.22Å; W678-L682 HydrophobicContact CE3-CB 3.68Å; W678-L682 HydrophobicContact CE3-CD1 4.33Å; W678-L682 HydrophobicContact CZ3-CB 3.92Å; W678-I683 HydrophobicContact CB-CD1 4Å; W678-I683 HydrophobicContact CB-CG1 3.99Å; W678-I683 HydrophobicContact CE3-CG1 4.27Å; W678-I683 VanDerWaalsContact O-CD1 3.31Å; W678-I683 WeakPolarHBondContact O-CD1 3.4Å; W678-M686 HydrophobicContact CH2-CG 3.97Å; W678-M686 HydrophobicContact CZ3-CG 3.59Å
679P88.3Confident91.8Very high55 Ų5547.9 Ų47.936%0.35725%0.247SC..  trans-53.1148.8165.4-27.135.1000113.4E677 E681 L682 I683E677-P679 VanDerWaalsContact O-CD 3.3Å; E677-P679 WeakPolarHBondContact O-CD 3.21Å; P679-E681 WeakPolarHBondContact CB-OE2 3.16Å; P679-E681 PolarHBondContact O-N 3.29Å; P679-E681 VanDerWaalsContact O-N 3.1Å; P679-L682 HydrophobicContact CB-CG 4.32Å; P679-L682 HydrophobicContact CG-CD1 4.48Å; P679-L682 WeakPolarHBondContact O-CB 3.48Å; P679-L682 PolarHBondContact O-N 3.42Å; P679-L682 VanDerWaalsContact O-N 3.11Å; P679-I683 PolarHBondContact O-N 3.18Å; P679-I683 VanDerWaalsContact O-N 3.16Å
680L85.9Confident91.8Very high92 Ų9244.9 Ų44.948%0.48224%0.235SC..Hα-helixtrans-61.7-25-170.8-68.8174.6000113.2I683 K684L680-I683 HydrophobicContact CD2-CD1 4.43Å; L680-I683 WeakPolarHBondContact O-CB 3.41Å; L680-I683 PolarHBondContact O-N 3.32Å; L680-K684 VanDerWaalsContact O-CG 3.3Å; L680-K684 WeakPolarHBondContact O-CG 3.47Å; L680-K684 PolarHBondContact O-N 2.88Å
681E87.7Confident91.8Very high29 Ų2944.6 Ų44.614%0.13623%0.233CC..Hα-helixtrans-77.8-37.7-177.9-41.373.8-155.600110.1P679 I683 K684 V685 V789 V827P679-E681 WeakPolarHBondContact CB-OE2 3.16Å; P679-E681 PolarHBondContact O-N 3.29Å; P679-E681 VanDerWaalsContact O-N 3.1Å; E681-I683 VanDerWaalsContact C-N 3.34Å; E681-K684 PolarHBondContact O-N 3.08Å; E681-V685 WeakPolarHBondContact O-CG2 3.48Å; E681-V685 PolarHBondContact O-N 3.37Å; E681-V789 HydrophobicContact CB-CG1 3.98Å; E681-V789 HydrophobicContact CG-CG1 4.14Å; E681-V827 HydrophobicContact CB-CG2 4.02Å; E681-V827 HydrophobicContact CG-CG2 3.62Å
682L91.9Very high91.7Very high16 Ų1644.9 Ų44.98%0.08424%0.239CC..Hα-helixtrans-62.6-45.6169.7-52.8-164.9000110.3L646 W678 P679 K684 V685 M686 W797L646-L682 HydrophobicContact CD1-CD1 4.03Å; L646-L682 HydrophobicContact CD1-CD2 4.15Å; L646-L682 HydrophobicContact CD2-CB 4.27Å; L646-L682 HydrophobicContact CD2-CD1 4.13Å; W678-L682 HydrophobicContact CE3-CB 3.68Å; W678-L682 HydrophobicContact CE3-CD1 4.33Å; W678-L682 HydrophobicContact CZ3-CB 3.92Å; P679-L682 HydrophobicContact CB-CG 4.32Å; P679-L682 HydrophobicContact CG-CD1 4.48Å; P679-L682 WeakPolarHBondContact O-CB 3.48Å; P679-L682 PolarHBondContact O-N 3.42Å; P679-L682 VanDerWaalsContact O-N 3.11Å; L682-K684 VanDerWaalsContact C-N 3.33Å; L682-K684 PolarHBondContact O-N 2.97Å; L682-V685 PolarHBondContact O-N 2.8Å; L682-M686 WeakPolarHBondContact O-CG 3.31Å; L682-M686 PolarHBondContact O-N 3.01Å; L682-W797 HydrophobicContact CD2-CH2 3.71Å; L682-W797 HydrophobicContact CD2-CZ2 3.42Å; L682-W797 VanDerWaalsContact CD2-CZ2 3.42Å
683I92.3Very high91.7Very high12 Ų1246.6 Ų46.66%0.06225%0.248CC..Hα-helixtrans-57.6-47.1176.9-71.3172000110.1E617 A620 I624 W678 P679 L680 E681 M686 S687E617-I683 HydrophobicContact CG-CD1 4.21Å; A620-I683 HydrophobicContact CB-CD1 4.17Å; A620-I683 HydrophobicContact CB-CG2 3.7Å; I624-I683 HydrophobicContact CD1-CB 4.35Å; I624-I683 HydrophobicContact CD1-CG1 4.32Å; I624-I683 HydrophobicContact CD1-CG2 4.12Å; W678-I683 HydrophobicContact CB-CD1 4Å; W678-I683 HydrophobicContact CB-CG1 3.99Å; W678-I683 HydrophobicContact CE3-CG1 4.27Å; W678-I683 VanDerWaalsContact O-CD1 3.31Å; W678-I683 WeakPolarHBondContact O-CD1 3.4Å; P679-I683 PolarHBondContact O-N 3.18Å; P679-I683 VanDerWaalsContact O-N 3.16Å; L680-I683 HydrophobicContact CD2-CD1 4.43Å; L680-I683 WeakPolarHBondContact O-CB 3.41Å; L680-I683 PolarHBondContact O-N 3.32Å; E681-I683 VanDerWaalsContact C-N 3.34Å; I683-M686 PolarHBondContact O-N 2.81Å; I683-S687 VanDerWaalsContact O-CB 3.25Å; I683-S687 WeakPolarHBondContact O-CB 3.33Å; I683-S687 PolarHBondContact O-N 2.78Å; I683-S687 PolarHBondContact O-OG 3.14Å
684K92.6Very high92Very high77 Ų7746.4 Ų46.434%0.33525%0.247SC..Hα-helixtrans-62.7-41.8178.4-74.6-179.9-167.3-161.60113.2L680 E681 L682 S687 A688 V790 E823L680-K684 VanDerWaalsContact O-CG 3.3Å; L680-K684 WeakPolarHBondContact O-CG 3.47Å; L680-K684 PolarHBondContact O-N 2.88Å; E681-K684 PolarHBondContact O-N 3.08Å; L682-K684 VanDerWaalsContact C-N 3.33Å; L682-K684 PolarHBondContact O-N 2.97Å; K684-S687 PolarHBondContact O-N 2.81Å; K684-A688 WeakPolarHBondContact O-CB 3.5Å; K684-A688 PolarHBondContact O-N 3.49Å; K684-A688 VanDerWaalsContact O-N 3.11Å; K684-V790 HydrophobicContact CB-CG2 4Å; K684-E823 IonicContact NZ-OE1 2.64Å; K684-E823 PolarHBondContact NZ-OE1 3.19Å; K684-E823 IonicContact NZ-OE2 2.69Å; K684-E823 PolarHBondContact NZ-OE2 2.9Å
685V94.8Very high92.4Very high1 Ų143.1 Ų43.11%0.00623%0.229CC..Hα-helixtrans-64.5-47.1176.7178.70000111.1E681 L682 S687 A688 I689 V790 Q793 L794 W797E681-V685 WeakPolarHBondContact O-CG2 3.48Å; E681-V685 PolarHBondContact O-N 3.37Å; L682-V685 PolarHBondContact O-N 2.8Å; V685-S687 PolarHBondContact O-N 2.81Å; V685-A688 PolarHBondContact O-N 3.28Å; V685-I689 HydrophobicContact CG1-CD1 3.9Å; V685-I689 PolarHBondContact O-N 3.36Å; V685-V790 HydrophobicContact CG2-CB 4.44Å; V685-V790 HydrophobicContact CG2-CG1 4.19Å; V685-V790 HydrophobicContact CG2-CG2 4.46Å; V685-Q793 HydrophobicContact CG2-CB 3.99Å; V685-Q793 HydrophobicContact CG2-CG 4.01Å; V685-L794 HydrophobicContact CG1-CD2 3.94Å; V685-L794 HydrophobicContact CG1-CG 4.26Å; V685-W797 HydrophobicContact CB-CZ3 4.31Å; V685-W797 HydrophobicContact CG1-CZ3 3.97Å; V685-W797 HydrophobicContact CG2-CH2 4.36Å; V685-W797 HydrophobicContact CG2-CZ3 4.22Å
686M95.7Very high92.8Very high1 Ų138.4 Ų38.41%0.00521%0.208CC..Hα-helixtrans-64.5-28.9175.9-65.2-54.1-56.600112.9I624 I627 A644 L646 G649 L651 W678 L682 I683 A688I624-M686 HydrophobicContact CD1-CB 3.8Å; I624-M686 HydrophobicContact CG1-CB 4.06Å; I624-M686 HydrophobicContact CG2-CB 4.09Å; I627-M686 WeakPolarHBondContact CD1-O 3.5Å; A644-M686 HydrophobicContact CB-CE 3.82Å; A644-M686 HydrophobicContact CB-SD 4.22Å; L646-M686 HydrophobicContact CD2-CG 4.46Å; L646-M686 HydrophobicContact CD2-SD 4.46Å; G649-M686 VanDerWaalsContact C-CE 3.45Å; L651-M686 HydrophobicContact CD2-CE 3.59Å; L651-M686 HydrophobicContact CG-CE 4.35Å; W678-M686 HydrophobicContact CH2-CG 3.97Å; W678-M686 HydrophobicContact CZ3-CG 3.59Å; L682-M686 WeakPolarHBondContact O-CG 3.31Å; L682-M686 PolarHBondContact O-N 3.01Å; I683-M686 PolarHBondContact O-N 2.81Å; M686-A688 VanDerWaalsContact C-N 3.35Å
687S93.8Very high93Very high53 Ų5335.5 Ų35.537%0.37119%0.192SC..Hα-helixtrans-74-24176.9-56.90000113.8I683 K684 V685I683-S687 VanDerWaalsContact O-CB 3.25Å; I683-S687 WeakPolarHBondContact O-CB 3.33Å; I683-S687 PolarHBondContact O-N 2.78Å; I683-S687 PolarHBondContact O-OG 3.14Å; K684-S687 PolarHBondContact O-N 2.81Å; V685-S687 PolarHBondContact O-N 2.81Å
688A94.4Very high93.5Very high42 Ų4229.3 Ų29.335%0.34716%0.163SC..Hα-helixtrans-97.6-24.5-172.700000113.8K684 V685 M686 L754 V790K684-A688 WeakPolarHBondContact O-CB 3.5Å; K684-A688 PolarHBondContact O-N 3.49Å; K684-A688 VanDerWaalsContact O-N 3.11Å; V685-A688 PolarHBondContact O-N 3.28Å; M686-A688 VanDerWaalsContact C-N 3.35Å; A688-L754 HydrophobicContact CB-CD2 3.6Å; A688-L754 VanDerWaalsContact O-CD2 3.24Å; A688-L754 WeakPolarHBondContact O-CD2 3.25Å; A688-V790 HydrophobicContact CB-CG1 4.02Å; A688-V790 HydrophobicContact CB-CG2 4.11Å
689I95.6Very high93.7Very high8 Ų830.7 Ų30.74%0.04117%0.169CC..SBendtrans-97.4-81.9-178.8-62.1171.1000110.5V685 L693 A694 L754 V758 L794V685-I689 HydrophobicContact CG1-CD1 3.9Å; V685-I689 PolarHBondContact O-N 3.36Å; I689-L693 HydrophobicContact CG2-CB 4.35Å; I689-L693 HydrophobicContact CG2-CD2 4.07Å; I689-L693 VanDerWaalsContact O-CB 3.27Å; I689-L693 WeakPolarHBondContact O-CB 3.32Å; I689-A694 HydrophobicContact CG2-CB 4Å; I689-L754 HydrophobicContact CG1-CD1 4.32Å; I689-L754 HydrophobicContact CG1-CD2 4.11Å; I689-L754 HydrophobicContact CG1-CG 4.41Å; I689-V758 HydrophobicContact CD1-CG2 3.93Å; I689-V758 HydrophobicContact CG1-CG2 4.34Å; I689-L794 HydrophobicContact CD1-CD1 4.2Å; I689-L794 HydrophobicContact CD1-CD2 4.16Å
690G95.5Very high93.8Very high0 Ų030.8 Ų30.80%018%0.175CC..Hα-helixtrans69.2165.9-172.700000114.6N630 G649 E692 L693 A694N630-G690 WeakPolarHBondContact OD1-CA 3.23Å; G649-G690 WeakPolarHBondContact O-CA 3.07Å; G649-G690 PolarHBondContact O-N 3.32Å; G690-E692 PolarHBondContact O-N 2.92Å; G690-L693 PolarHBondContact O-N 3.32Å; G690-A694 WeakPolarHBondContact O-CB 3.36Å; G690-A694 PolarHBondContact O-N 2.74Å
691N97.1Very high93.8Very high4 Ų430.6 Ų30.62%0.02117%0.174CC..Hα-helixtrans-66.3-30.5-169.8-74-5.5000114N630 R632 A634 A650 L651 N695N630-N691 WeakPolarHBondContact OD1-CB 3.42Å; N630-N691 VanDerWaalsContact OD1-CG 3.27Å; N630-N691 PolarHBondContact OD1-N 3.19Å; N630-N691 PolarHBondContact OD1-OD1 3.34Å; R632-N691 PolarHBondContact O-ND2 2.86Å; A634-N691 PolarHBondContact N-ND2 2.92Å; A650-N691 WeakPolarHBondContact CA-OD1 3.49Å; A650-N691 WeakPolarHBondContact CB-OD1 3.28Å; L651-N691 PolarHBondContact N-OD1 3.47Å; L651-N691 PolarHBondContact O-ND2 3.34Å; N691-N695 VanDerWaalsContact O-CB 3.28Å; N691-N695 WeakPolarHBondContact O-CB 3.23Å; N691-N695 PolarHBondContact O-N 3.26Å
692E95.1Very high93.3Very high106 Ų10630.7 Ų30.750%0.49518%0.18SC..Hα-helixtrans-63.8-50174.1-171.7-178.5166.300110.9R628 G690 S696R628-E692 HydrophobicContact CB-CB 4.16Å; R628-E692 WeakPolarHBondContact CB-OE2 3.37Å; R628-E692 WeakPolarHBondContact CD-OE2 3.35Å; R628-E692 PolarHBondContact O-N 3.41Å; G690-E692 PolarHBondContact O-N 2.92Å; E692-S696 WeakPolarHBondContact O-CB 3.37Å; E692-S696 PolarHBondContact O-N 2.96Å
693L96Very high92.6Very high39 Ų3935.2 Ų35.220%0.20420%0.201CC..Hα-helixtrans-67.6-45.1179.3-164.5153.4000110.8I689 G690 S696 V697 R755I689-L693 HydrophobicContact CG2-CB 4.35Å; I689-L693 HydrophobicContact CG2-CD2 4.07Å; I689-L693 VanDerWaalsContact O-CB 3.27Å; I689-L693 WeakPolarHBondContact O-CB 3.32Å; G690-L693 PolarHBondContact O-N 3.32Å; L693-S696 WeakPolarHBondContact O-CB 3.42Å; L693-S696 PolarHBondContact O-N 3.11Å; L693-S696 PolarHBondContact O-OG 2.99Å; L693-V697 PolarHBondContact O-N 3.07Å; L693-R755 HydrophobicContact CD1-CB 4.38Å; L693-R755 HydrophobicContact CD2-CB 4.33Å; L693-R755 HydrophobicContact CD2-CG 4.25Å; L693-R755 HydrophobicContact CG-CB 4.45Å; L693-R755 HydrophobicContact CG-CG 4.38Å
694A96.4Very high91.7Very high0 Ų038.5 Ų38.50%024%0.238CC..Hα-helixtrans-58.1-50.6178.100000111.7A650 I689 G690 S696 V697 W698A650-A694 HydrophobicContact CB-CB 3.99Å; I689-A694 HydrophobicContact CG2-CB 4Å; G690-A694 WeakPolarHBondContact O-CB 3.36Å; G690-A694 PolarHBondContact O-N 2.74Å; A694-S696 VanDerWaalsContact C-N 3.32Å; A694-S696 PolarHBondContact O-N 2.82Å; A694-V697 PolarHBondContact O-N 3.38Å; A694-W698 VanDerWaalsContact O-CD1 3.25Å; A694-W698 PolarHBondContact O-N 2.97Å
695N95.8Very high91.3Very high26 Ų2640.7 Ų40.714%0.13924%0.244CC..Hα-helixtrans-72.2-24178.8-71-14.1000112.6A634 N691 V697 E699 A700 K724A634-N695 PolarHBondContact O-ND2 3.26Å; A634-N695 PolarHBondContact O-OD1 3.11Å; N691-N695 VanDerWaalsContact O-CB 3.28Å; N691-N695 WeakPolarHBondContact O-CB 3.23Å; N691-N695 PolarHBondContact O-N 3.26Å; N695-V697 PolarHBondContact O-N 3.04Å; N695-V697 VanDerWaalsContact O-N 3.13Å; N695-E699 HydrophobicContact CB-CB 4.13Å; N695-E699 HydrophobicContact CB-CG 3.99Å; N695-E699 VanDerWaalsContact CG-OE2 3.31Å; N695-E699 PolarHBondContact ND2-OE2 3.01Å; N695-E699 VanDerWaalsContact ND2-OE2 3.1Å; N695-E699 CarbonylContact O-C 3.57Å; N695-E699 WeakPolarHBondContact O-CA 3.42Å; N695-E699 PolarHBondContact O-N 2.93Å; N695-A700 PolarHBondContact O-N 3.27Å; N695-K724 PolarHBondContact OD1-NZ 2.89Å
696S95Very high90.8Very high39 Ų3948.4 Ų48.427%0.27328%0.284SS..Hα-helixtrans-63.8-12.3167.887.80000114E692 L693 A694 R755E692-S696 WeakPolarHBondContact O-CB 3.37Å; E692-S696 PolarHBondContact O-N 2.96Å; L693-S696 WeakPolarHBondContact O-CB 3.42Å; L693-S696 PolarHBondContact O-N 3.11Å; L693-S696 PolarHBondContact O-OG 2.99Å; A694-S696 VanDerWaalsContact C-N 3.32Å; A694-S696 PolarHBondContact O-N 2.82Å; S696-R755 PolarHBondContact O-NH2 2.99Å; S696-R755 PolarHBondContact OG-NE 3.07Å
697V95.1Very high90.7Very high0 Ų050.7 Ų50.70%029%0.294CS..Hα-helixtrans-106-51.9171171.50000110.4L693 A694 N695 V731 A732 R755 V758 L759 A762L693-V697 PolarHBondContact O-N 3.07Å; A694-V697 PolarHBondContact O-N 3.38Å; N695-V697 PolarHBondContact O-N 3.04Å; N695-V697 VanDerWaalsContact O-N 3.13Å; V697-V731 HydrophobicContact CG1-CG1 4.26Å; V697-V731 CarbonylContact O-C 3.42Å; V697-V731 VanDerWaalsContact O-CA 3.25Å; V697-V731 WeakPolarHBondContact O-CA 3.21Å; V697-A732 PolarHBondContact O-N 3.19Å; V697-R755 HydrophobicContact CG2-CG 4.24Å; V697-V758 HydrophobicContact CB-CG1 4.45Å; V697-V758 HydrophobicContact CG1-CG1 4.36Å; V697-V758 HydrophobicContact CG2-CG1 4.21Å; V697-L759 HydrophobicContact CG1-CB 4.33Å; V697-L759 HydrophobicContact CG1-CD1 4.07Å; V697-L759 HydrophobicContact CG2-CB 4.2Å; V697-A762 HydrophobicContact CG1-CB 4.02Å
698W94.9Very high90.7Very high8 Ų848.9 Ų48.93%0.0328%0.281CS..Hα-helixtrans-89.5-11.1-169.4-66.5101.6000115.9L648 A694 K724 Y725 R728 F730 V731 A762L648-W698 HydrophobicContact CD2-CH2 4.34Å; L648-W698 HydrophobicContact CD2-CZ2 3.62Å; A694-W698 VanDerWaalsContact O-CD1 3.25Å; A694-W698 PolarHBondContact O-N 2.97Å; W698-K724 HydrophobicContact CB-CG 4.3Å; W698-K724 WeakPolarHBondContact O-CG 3.43Å; W698-Y725 HydrophobicContact CB-CE1 4.14Å; W698-Y725 AromaticContact CD2-CD1 3.8Å; W698-Y725 HydrophobicContact CD2-CD1 3.8Å; W698-Y725 AromaticContact CD2-CE1 3.88Å; W698-Y725 HydrophobicContact CD2-CE1 3.88Å; W698-Y725 AromaticContact CE3-CD1 3.58Å; W698-Y725 HydrophobicContact CE3-CD1 3.58Å; W698-Y725 HydrophobicContact CE3-CE1 4.09Å; W698-Y725 HydrophobicContact CG-CD1 4.31Å; W698-Y725 AromaticContact CG-CE1 3.9Å; W698-Y725 HydrophobicContact CG-CE1 3.9Å; W698-Y725 AromaticContact CZ3-CD1 3.97Å; W698-Y725 HydrophobicContact CZ3-CD1 3.97Å; W698-R728 HydrophobicContact CZ3-CG 4.37Å; W698-F730 WeakPolarHBondContact O-CB 3.26Å; W698-V731 HydrophobicContact CD2-CG2 4.35Å; W698-V731 HydrophobicContact CE3-CG2 3.49Å; W698-V731 VanDerWaalsContact CE3-CG2 3.49Å; W698-V731 HydrophobicContact CZ3-CG2 3.71Å; W698-A762 HydrophobicContact CH2-CB 3.66Å; W698-A762 HydrophobicContact CZ2-CB 3.52Å; W698-A762 HydrophobicContact CZ3-CB 4.26Å
699E93.8Very high90.5Very high36 Ų3648.4 Ų48.417%0.16828%0.28CS..SBendtrans-12410.4174.9-56.3-166.7147.800112.4N695 N701 K707 W720 K724N695-E699 HydrophobicContact CB-CB 4.13Å; N695-E699 HydrophobicContact CB-CG 3.99Å; N695-E699 VanDerWaalsContact CG-OE2 3.31Å; N695-E699 PolarHBondContact ND2-OE2 3.01Å; N695-E699 VanDerWaalsContact ND2-OE2 3.1Å; N695-E699 CarbonylContact O-C 3.57Å; N695-E699 WeakPolarHBondContact O-CA 3.42Å; N695-E699 PolarHBondContact O-N 2.93Å; E699-N701 PolarHBondContact O-N 3.3Å; E699-N701 VanDerWaalsContact O-N 3.15Å; E699-K707 VanDerWaalsContact OE1-CE 3.3Å; E699-K707 WeakPolarHBondContact OE1-CE 3.25Å; E699-K707 IonicContact OE1-NZ 3.86Å; E699-K707 WeakPolarHBondContact OE2-CE 3.42Å; E699-K707 IonicContact OE2-NZ 3.77Å; E699-K707 PolarHBondContact OE2-NZ 3.49Å; E699-W720 HydrophobicContact CG-CZ2 4.41Å; E699-W720 PolarHBondContact OE1-NE1 3.36Å; E699-W720 VanDerWaalsContact OE1-NE1 3.12Å; E699-K724 VanDerWaalsContact CD-NZ 3.26Å; E699-K724 HydrophobicContact CG-CD 4.01Å; E699-K724 WeakPolarHBondContact OE1-CE 3.42Å; E699-K724 IonicContact OE1-NZ 2.86Å; E699-K724 PolarHBondContact OE1-NZ 2.98Å
700A89.7Confident90.3Very high57 Ų5750.8 Ų50.847%0.47130%0.296SS..THydrogen-bonded Turntrans-61.7-25.6-170.900000114.8N695 F730 A732N695-A700 PolarHBondContact O-N 3.27Å; A700-F730 PolarHBondContact N-O 3.1Å; A700-F730 VanDerWaalsContact N-O 3.16Å; A700-A732 HydrophobicContact CB-CB 3.57Å
701N85.8Confident90.1Very high88 Ų8858.4 Ų58.447%0.47134%0.337SS..THydrogen-bonded Turntrans-133.780.5171.2-179.19.7000110.7E699 Q703 F730E699-N701 PolarHBondContact O-N 3.3Å; E699-N701 VanDerWaalsContact O-N 3.15Å; N701-Q703 WeakPolarHBondContact O-CG 3.41Å; N701-Q703 PolarHBondContact O-N 2.95Å; N701-Q703 PolarHBondContact OD1-N 3.41Å; N701-F730 PolarHBondContact N-O 2.8Å; N701-F730 VanDerWaalsContact O-CA 3.24Å; N701-F730 WeakPolarHBondContact O-CA 3.44Å
702A78.5Confident89.9Confident32 Ų3259 Ų5926%0.26434%0.342SS..  trans-61.8-3177.600000115.3G704 R705 W720A702-G704 PolarHBondContact O-N 2.94Å; A702-G704 VanDerWaalsContact O-N 3.1Å; A702-R705 WeakPolarHBondContact O-CB 3.34Å; A702-R705 PolarHBondContact O-N 3.39Å; A702-W720 HydrophobicContact CB-CH2 4.14Å
703Q76.5Confident89.9Confident110 Ų11056 Ų5651%0.51433%0.333SS..THydrogen-bonded Turntrans51.434179.6-55.3-173.63.300114.1N701 R705 L729N701-Q703 WeakPolarHBondContact O-CG 3.41Å; N701-Q703 PolarHBondContact O-N 2.95Å; N701-Q703 PolarHBondContact OD1-N 3.41Å; Q703-R705 PolarHBondContact O-N 3.12Å; Q703-L729 PolarHBondContact NE2-O 3.21Å
704G73.8Confident89.9Confident81 Ų8160.6 Ų60.684%0.83535%0.348SS*.THydrogen-bonded Turntrans72.24-176.600000115.3A702A702-G704 PolarHBondContact O-N 2.94Å; A702-G704 VanDerWaalsContact O-N 3.1Å
705R84.4Confident89.8Confident123 Ų12365.7 Ų65.746%0.46437%0.372SS..PPolyproline II helixtrans-76.6135.7172.7-58.5-167.1-172.9-166.31.9110A702 Q703 W720 F730A702-R705 WeakPolarHBondContact O-CB 3.34Å; A702-R705 PolarHBondContact O-N 3.39Å; Q703-R705 PolarHBondContact O-N 3.12Å; R705-W720 HydrophobicContact CB-CZ3 3.88Å; R705-F730 HydrophobicContact CB-CE1 4.5Å; R705-F730 HydrophobicContact CG-CE1 4.4Å
706L84.4Confident89.8Confident163 Ų16368.6 Ų68.685%0.85338%0.384SS*.PPolyproline II helixtrans-77.1133.1173.9-63.7175.5000110.2W720L706-W720 WeakPolarHBondContact O-CZ3 3.41Å
707K92.1Very high89.9Confident50 Ų5067.1 Ų67.122%0.21737%0.373CS..PPolyproline II helixtrans-66.7137.5169.8-172.2174.5-176.4177.50109.5A634 D635 D637 E699 G709 W720A634-K707 VanDerWaalsContact O-CE 3.28Å; A634-K707 WeakPolarHBondContact O-CE 3.35Å; A634-K707 PolarHBondContact O-NZ 2.97Å; D635-K707 WeakPolarHBondContact O-CE 3.46Å; D637-K707 WeakPolarHBondContact OD1-CE 3.27Å; D637-K707 IonicContact OD1-NZ 2.73Å; D637-K707 PolarHBondContact OD1-NZ 3.01Å; D637-K707 WeakPolarHBondContact OD2-CD 3.23Å; D637-K707 IonicContact OD2-NZ 2.8Å; E699-K707 VanDerWaalsContact OE1-CE 3.3Å; E699-K707 WeakPolarHBondContact OE1-CE 3.25Å; E699-K707 IonicContact OE1-NZ 3.86Å; E699-K707 WeakPolarHBondContact OE2-CE 3.42Å; E699-K707 IonicContact OE2-NZ 3.77Å; E699-K707 PolarHBondContact OE2-NZ 3.49Å; K707-G709 PolarHBondContact O-N 3.43Å; K707-W720 HydrophobicContact CB-CH2 3.97Å; K707-W720 HydrophobicContact CB-CZ2 3.83Å; K707-W720 HydrophobicContact CB-CZ3 4.42Å; K707-W720 HydrophobicContact CD-CZ2 4.36Å; K707-W720 HydrophobicContact CG-CH2 4.48Å; K707-W720 HydrophobicContact CG-CZ2 3.85Å
708P94.3Very high89.9Confident15 Ų1569.2 Ų69.210%0.09738%0.383CS..PPolyproline II helixtrans-64.1135.4178.625.7-33.6000110.6D635 C636 A712 R717 W720D635-P708 WeakPolarHBondContact O-CG 3.36Å; C636-P708 CarbonylContact C-O 3.58Å; C636-P708 WeakPolarHBondContact CA-O 3.35Å; C636-P708 HydrophobicContact CB-CG 4.14Å; C636-P708 WeakPolarHBondContact CB-O 3.43Å; P708-A712 HydrophobicContact CB-CB 3.57Å; P708-R717 HydrophobicContact CB-CG 4.36Å; P708-R717 HydrophobicContact CG-CG 4.49Å; P708-W720 HydrophobicContact CG-CB 3.79Å; P708-W720 HydrophobicContact CG-CG 3.89Å
709G90.1Very high90Very high32 Ų3276.1 Ų76.133%0.3341%0.409SS..  trans-79.8177175.600000113.7C636 K707 D711 A712C636-G709 CarbonylContact O-C 3.6Å; K707-G709 PolarHBondContact O-N 3.43Å; G709-D711 PolarHBondContact O-N 2.93Å; G709-D711 VanDerWaalsContact O-N 3.09Å; G709-A712 VanDerWaalsContact O-CB 3.28Å; G709-A712 WeakPolarHBondContact O-CB 3.46Å; G709-A712 PolarHBondContact O-N 2.93Å
710P92.1Very high90.1Very high58 Ų5875.1 Ų75.138%0.37740%0.403SS..THydrogen-bonded Turntrans-57-24.2179.2-28.837.5000115.7V638 R717V638-P710 HydrophobicContact CG2-CB 3.9Å; V638-P710 HydrophobicContact CG2-CG 4.49Å; P710-R717 PolarHBondContact O-NH2 3.27Å
711D90.7Very high90.4Very high160 Ų16072.4 Ų72.486%0.85638%0.381SS*.THydrogen-bonded Turntrans-102.6-0.3-178.9-48.7-67.9000113.6G709G709-D711 PolarHBondContact O-N 2.93Å; G709-D711 VanDerWaalsContact O-N 3.09Å
712A93.8Very high90.9Very high16 Ų1671.3 Ų71.313%0.13237%0.37CS..  trans-65152.7-17700000112.5P708 G709 E716 R717P708-A712 HydrophobicContact CB-CB 3.57Å; G709-A712 VanDerWaalsContact O-CB 3.28Å; G709-A712 WeakPolarHBondContact O-CB 3.46Å; G709-A712 PolarHBondContact O-N 2.93Å; A712-E716 WeakPolarHBondContact CA-OE2 3.45Å; A712-E716 HydrophobicContact CB-CB 4.31Å; A712-E716 WeakPolarHBondContact CB-OE2 3.23Å; A712-R717 PolarHBondContact O-NE 2.9Å; A712-R717 PolarHBondContact O-NH2 3.23Å
713S95.7Very high91.7Very high43 Ų4369.8 Ų69.830%0.30136%0.358SS..  trans-67.4159.7-176.6106.80000112.8E715 E716 R717S713-E715 WeakPolarHBondContact CB-OE2 3.42Å; S713-E715 PolarHBondContact O-N 3.47Å; S713-E715 PolarHBondContact OG-N 2.92Å; S713-E715 PolarHBondContact OG-OE2 3.36Å; S713-E716 PolarHBondContact N-OE2 3.29Å; S713-E716 WeakPolarHBondContact O-CB 3.38Å; S713-E716 PolarHBondContact O-N 3.03Å; S713-E716 VanDerWaalsContact O-N 3.11Å; S713-E716 PolarHBondContact OG-N 3.22Å; S713-R717 WeakPolarHBondContact O-CG 3.47Å; S713-R717 PolarHBondContact O-N 3.47Å
714R94.8Very high92.6Very high135 Ų13564.6 Ų64.651%0.50933%0.333SS..Hα-helixtrans-58.8-37.7175.4-179.1-178174.1178.70.5111.7I659 E716 R717 E718I659-R714 HydrophobicContact CD1-CG 4.4Å; R714-E716 VanDerWaalsContact C-N 3.31Å; R714-R717 PolarHBondContact O-N 3.23Å; R714-E718 WeakPolarHBondContact O-CB 3.45Å; R714-E718 PolarHBondContact O-N 2.92Å
715E95.2Very high93.6Very high108 Ų10860.9 Ų60.951%0.50529%0.294SS..Hα-helixtrans-70.3-29.7179.7-56.165.5-138.200111.3S713 R719S713-E715 WeakPolarHBondContact CB-OE2 3.42Å; S713-E715 PolarHBondContact O-N 3.47Å; S713-E715 PolarHBondContact OG-N 2.92Å; S713-E715 PolarHBondContact OG-OE2 3.36Å; E715-R719 WeakPolarHBondContact O-CB 3.28Å; E715-R719 WeakPolarHBondContact O-CG 3.35Å; E715-R719 PolarHBondContact O-N 3.4Å; E715-R719 VanDerWaalsContact O-N 3.09Å; E715-R719 PolarHBondContact O-NE 2.77Å; E715-R719 PolarHBondContact O-NH2 2.98Å
716E95.3Very high94.1Very high86 Ų8659 Ų5940%0.40229%0.291SS..Hα-helixtrans-72.7-45.8172.4-65.2179.5136.400111.1A712 S713 R714 E718 R719 W720A712-E716 WeakPolarHBondContact CA-OE2 3.45Å; A712-E716 HydrophobicContact CB-CB 4.31Å; A712-E716 WeakPolarHBondContact CB-OE2 3.23Å; S713-E716 PolarHBondContact N-OE2 3.29Å; S713-E716 WeakPolarHBondContact O-CB 3.38Å; S713-E716 PolarHBondContact O-N 3.03Å; S713-E716 VanDerWaalsContact O-N 3.11Å; S713-E716 PolarHBondContact OG-N 3.22Å; R714-E716 VanDerWaalsContact C-N 3.31Å; E716-E718 VanDerWaalsContact C-N 3.32Å; E716-E718 PolarHBondContact O-N 3.14Å; E716-R719 PolarHBondContact O-N 3.27Å; E716-W720 PolarHBondContact O-N 2.95Å
717R96.4Very high94.5Very high8 Ų856.1 Ų56.13%0.0327%0.273CS..Hα-helixtrans-57.2-44.9172.4-64.2168.9-158-145-10110.9E655 I659 P708 P710 A712 S713 R714 W720 I721E655-R717 IonicContact OE1-CZ 3.48Å; E655-R717 IonicContact OE1-NH1 2.69Å; E655-R717 PolarHBondContact OE1-NH1 3.43Å; E655-R717 IonicContact OE2-CZ 3.17Å; E655-R717 VanDerWaalsContact OE2-CZ 3.26Å; E655-R717 IonicContact OE2-NE 2.8Å; E655-R717 IonicContact OE2-NH1 2.69Å; E655-R717 PolarHBondContact OE2-NH1 3.24Å; I659-R717 HydrophobicContact CD1-CB 3.59Å; P708-R717 HydrophobicContact CB-CG 4.36Å; P708-R717 HydrophobicContact CG-CG 4.49Å; P710-R717 PolarHBondContact O-NH2 3.27Å; A712-R717 PolarHBondContact O-NE 2.9Å; A712-R717 PolarHBondContact O-NH2 3.23Å; S713-R717 WeakPolarHBondContact O-CG 3.47Å; S713-R717 PolarHBondContact O-N 3.47Å; R714-R717 PolarHBondContact O-N 3.23Å; R717-W720 PolarHBondContact O-N 3.16Å; R717-I721 HydrophobicContact CB-CD1 4.48Å; R717-I721 WeakPolarHBondContact O-CB 3.45Å; R717-I721 WeakPolarHBondContact O-CD1 3.47Å; R717-I721 VanDerWaalsContact O-CG1 3.27Å; R717-I721 WeakPolarHBondContact O-CG1 3.45Å; R717-I721 PolarHBondContact O-N 2.87Å
718E96.5Very high94.6Very high45 Ų4558 Ų5821%0.2128%0.279CS..Hα-helixtrans-67.8-40.1179.4-177.2159.7175.700112.5I659 R714 E716 W720 I721 R722I659-E718 HydrophobicContact CD1-CB 4.07Å; I659-E718 HydrophobicContact CG1-CB 4.34Å; I659-E718 HydrophobicContact CG2-CB 4Å; I659-E718 HydrophobicContact CG2-CG 3.89Å; R714-E718 WeakPolarHBondContact O-CB 3.45Å; R714-E718 PolarHBondContact O-N 2.92Å; E716-E718 VanDerWaalsContact C-N 3.32Å; E716-E718 PolarHBondContact O-N 3.14Å; E718-W720 VanDerWaalsContact C-N 3.33Å; E718-W720 PolarHBondContact O-N 2.93Å; E718-I721 PolarHBondContact O-N 2.81Å; E718-R722 HydrophobicContact CG-CG 4.24Å; E718-R722 WeakPolarHBondContact O-CB 3.43Å; E718-R722 WeakPolarHBondContact O-CG 3.38Å; E718-R722 PolarHBondContact O-N 2.81Å; E718-R722 IonicContact OE1-CZ 2.83Å; E718-R722 VanDerWaalsContact OE1-CZ 3.24Å; E718-R722 IonicContact OE1-NE 3.36Å; E718-R722 PolarHBondContact OE1-NE 3.33Å; E718-R722 IonicContact OE1-NH2 2.71Å; E718-R722 PolarHBondContact OE1-NH2 2.93Å
719R95.4Very high94.4Very high152 Ų15259.8 Ų59.857%0.57429%0.287SS*.Hα-helixtrans-60.4-40.2172.4-83.3174.1-80.6136.2-9.7112.5E715 E716 A723E715-R719 WeakPolarHBondContact O-CB 3.28Å; E715-R719 WeakPolarHBondContact O-CG 3.35Å; E715-R719 PolarHBondContact O-N 3.4Å; E715-R719 VanDerWaalsContact O-N 3.09Å; E715-R719 PolarHBondContact O-NE 2.77Å; E715-R719 PolarHBondContact O-NH2 2.98Å; E716-R719 PolarHBondContact O-N 3.27Å; R719-A723 VanDerWaalsContact O-CB 3.28Å; R719-A723 WeakPolarHBondContact O-CB 3.25Å; R719-A723 PolarHBondContact O-N 3.4Å
720W95.9Very high94.6Very high15 Ų1558.3 Ų58.36%0.05727%0.271CS..Hα-helixtrans-67.3-52.1175.4-177.2-102.2000112.1E699 A702 R705 L706 K707 P708 E716 R717 E718 R722 A723 K724 F730E699-W720 HydrophobicContact CG-CZ2 4.41Å; E699-W720 PolarHBondContact OE1-NE1 3.36Å; E699-W720 VanDerWaalsContact OE1-NE1 3.12Å; A702-W720 HydrophobicContact CB-CH2 4.14Å; R705-W720 HydrophobicContact CB-CZ3 3.88Å; L706-W720 WeakPolarHBondContact O-CZ3 3.41Å; K707-W720 HydrophobicContact CB-CH2 3.97Å; K707-W720 HydrophobicContact CB-CZ2 3.83Å; K707-W720 HydrophobicContact CB-CZ3 4.42Å; K707-W720 HydrophobicContact CD-CZ2 4.36Å; K707-W720 HydrophobicContact CG-CH2 4.48Å; K707-W720 HydrophobicContact CG-CZ2 3.85Å; P708-W720 HydrophobicContact CG-CB 3.79Å; P708-W720 HydrophobicContact CG-CG 3.89Å; E716-W720 PolarHBondContact O-N 2.95Å; R717-W720 PolarHBondContact O-N 3.16Å; E718-W720 VanDerWaalsContact C-N 3.33Å; E718-W720 PolarHBondContact O-N 2.93Å; W720-R722 VanDerWaalsContact C-N 3.34Å; W720-R722 PolarHBondContact O-N 3.09Å; W720-A723 WeakPolarHBondContact O-CB 3.33Å; W720-A723 PolarHBondContact O-N 3.11Å; W720-A723 VanDerWaalsContact O-N 3.13Å; W720-K724 VanDerWaalsContact O-CB 3.3Å; W720-K724 WeakPolarHBondContact O-CB 3.31Å; W720-K724 PolarHBondContact O-N 2.88Å; W720-F730 AromaticContact CD2-CE2 3.93Å; W720-F730 HydrophobicContact CD2-CE2 3.93Å; W720-F730 AromaticContact CE2-CE2 4Å; W720-F730 AromaticContact CE3-CE2 3.81Å; W720-F730 HydrophobicContact CE3-CE2 3.81Å; W720-F730 AromaticContact CE3-CZ 4Å; W720-F730 HydrophobicContact CE3-CZ 4Å; W720-F730 HydrophobicContact CH2-CD2 4.18Å; W720-F730 AromaticContact CH2-CE2 3.86Å; W720-F730 HydrophobicContact CH2-CE2 3.86Å; W720-F730 HydrophobicContact CH2-CZ 4.24Å; W720-F730 HydrophobicContact CZ2-CD2 4.13Å; W720-F730 AromaticContact CZ2-CE2 3.98Å; W720-F730 HydrophobicContact CZ2-CE2 3.98Å; W720-F730 AromaticContact CZ3-CE2 3.78Å; W720-F730 HydrophobicContact CZ3-CE2 3.78Å; W720-F730 AromaticContact CZ3-CZ 3.83Å; W720-F730 HydrophobicContact CZ3-CZ 3.83Å
721I97Very high94.6Very high0 Ų056.2 Ų56.20%026%0.258CS..Hα-helixtrans-61.5-40.4-176.2-74.5164.6000111.6D635 C656 I659 L663 R717 E718 K724 Y725D635-I721 HydrophobicContact CB-CD1 4.18Å; D635-I721 HydrophobicContact CB-CG1 3.88Å; C656-I721 HydrophobicContact CB-CD1 3.86Å; I659-I721 HydrophobicContact CB-CD1 4.02Å; I659-I721 HydrophobicContact CD1-CD1 3.88Å; I659-I721 HydrophobicContact CG2-CB 4.05Å; I659-I721 HydrophobicContact CG2-CD1 4Å; I659-I721 HydrophobicContact CG2-CG2 3.68Å; L663-I721 HydrophobicContact CD1-CG2 3.84Å; L663-I721 HydrophobicContact CG-CG2 4.44Å; R717-I721 HydrophobicContact CB-CD1 4.48Å; R717-I721 WeakPolarHBondContact O-CB 3.45Å; R717-I721 WeakPolarHBondContact O-CD1 3.47Å; R717-I721 VanDerWaalsContact O-CG1 3.27Å; R717-I721 WeakPolarHBondContact O-CG1 3.45Å; R717-I721 PolarHBondContact O-N 2.87Å; E718-I721 PolarHBondContact O-N 2.81Å; I721-K724 PolarHBondContact O-N 2.81Å; I721-Y725 HydrophobicContact CG2-CD2 4.07Å; I721-Y725 HydrophobicContact CG2-CE2 4.45Å; I721-Y725 WeakPolarHBondContact O-CD2 3.27Å; I721-Y725 PolarHBondContact O-N 3.36Å
722R95.8Very high94.6Very high65 Ų6549.2 Ų49.225%0.24522%0.222CC..Iπ-helixtrans-66.2-45.2173-70.7-177.9177.9-80.2-1.5112.2L663 E718 W720 K724 E726 Q727L663-R722 HydrophobicContact CD2-CG 4.03Å; E718-R722 HydrophobicContact CG-CG 4.24Å; E718-R722 WeakPolarHBondContact O-CB 3.43Å; E718-R722 WeakPolarHBondContact O-CG 3.38Å; E718-R722 PolarHBondContact O-N 2.81Å; E718-R722 IonicContact OE1-CZ 2.83Å; E718-R722 VanDerWaalsContact OE1-CZ 3.24Å; E718-R722 IonicContact OE1-NE 3.36Å; E718-R722 PolarHBondContact OE1-NE 3.33Å; E718-R722 IonicContact OE1-NH2 2.71Å; E718-R722 PolarHBondContact OE1-NH2 2.93Å; W720-R722 VanDerWaalsContact C-N 3.34Å; W720-R722 PolarHBondContact O-N 3.09Å; R722-K724 PolarHBondContact O-N 3.43Å; R722-E726 HydrophobicContact CB-CB 4.45Å; R722-E726 WeakPolarHBondContact CB-OE2 3.21Å; R722-E726 WeakPolarHBondContact CD-OE2 3.4Å; R722-E726 VanDerWaalsContact CG-OE2 3.23Å; R722-E726 WeakPolarHBondContact CG-OE2 3.42Å; R722-E726 IonicContact CZ-OE2 3.88Å; R722-E726 IonicContact NE-OE2 3.9Å; R722-E726 IonicContact NH1-OE1 3.34Å; R722-E726 PolarHBondContact NH1-OE1 2.84Å; R722-E726 IonicContact NH1-OE2 2.7Å; R722-E726 PolarHBondContact NH1-OE2 2.88Å; R722-E726 WeakPolarHBondContact O-CB 3.38Å; R722-E726 PolarHBondContact O-N 3.21Å; R722-E726 VanDerWaalsContact O-N 3.08Å; R722-Q727 PolarHBondContact O-N 2.99Å
723A94.9Very high94.3Very high1 Ų152.8 Ų52.81%0.00825%0.252CS..Iπ-helixtrans-58.7-38.1175.600000112.4R719 W720 R728 L729 F730R719-A723 VanDerWaalsContact O-CB 3.28Å; R719-A723 WeakPolarHBondContact O-CB 3.25Å; R719-A723 PolarHBondContact O-N 3.4Å; W720-A723 WeakPolarHBondContact O-CB 3.33Å; W720-A723 PolarHBondContact O-N 3.11Å; W720-A723 VanDerWaalsContact O-N 3.13Å; A723-R728 PolarHBondContact O-N 3.48Å; A723-L729 HydrophobicContact CB-CD1 4.12Å; A723-L729 PolarHBondContact O-N 3.47Å; A723-F730 HydrophobicContact CB-CE1 4.41Å; A723-F730 HydrophobicContact CB-CE2 3.77Å; A723-F730 HydrophobicContact CB-CZ 3.51Å
724K95.5Very high93.8Very high0 Ų053.5 Ų53.50%025%0.252CS..Iπ-helixtrans-72.1-52-178-172.6171.2175.4-177.70113.5A634 D635 N695 W698 E699 W720 I721 R722 R728 F730A634-K724 PolarHBondContact O-NZ 3.34Å; D635-K724 WeakPolarHBondContact OD1-CD 3.25Å; D635-K724 WeakPolarHBondContact OD1-CE 3.49Å; D635-K724 IonicContact OD1-NZ 3.82Å; D635-K724 PolarHBondContact OD1-NZ 2.95Å; N695-K724 PolarHBondContact OD1-NZ 2.89Å; W698-K724 HydrophobicContact CB-CG 4.3Å; W698-K724 WeakPolarHBondContact O-CG 3.43Å; E699-K724 VanDerWaalsContact CD-NZ 3.26Å; E699-K724 HydrophobicContact CG-CD 4.01Å; E699-K724 WeakPolarHBondContact OE1-CE 3.42Å; E699-K724 IonicContact OE1-NZ 2.86Å; E699-K724 PolarHBondContact OE1-NZ 2.98Å; W720-K724 VanDerWaalsContact O-CB 3.3Å; W720-K724 WeakPolarHBondContact O-CB 3.31Å; W720-K724 PolarHBondContact O-N 2.88Å; I721-K724 PolarHBondContact O-N 2.81Å; R722-K724 PolarHBondContact O-N 3.43Å; K724-R728 WeakPolarHBondContact O-CA 3.25Å; K724-F730 HydrophobicContact CB-CD2 3.89Å; K724-F730 HydrophobicContact CB-CE2 4.08Å; K724-F730 HydrophobicContact CG-CD2 4.23Å
725Y95.8Very high92.6Very high4 Ų451.9 Ų51.92%0.01626%0.259CS..Iπ-helixtrans-109.7-36.8-169.6-53.9-70.3000115.1D635 L648 H660 L663 W698 I721D635-Y725 VanDerWaalsContact OD1-CE2 3.29Å; D635-Y725 WeakPolarHBondContact OD1-CE2 3.24Å; D635-Y725 PolarHBondContact OD1-OH 2.88Å; L648-Y725 HydrophobicContact CD1-CD1 3.74Å; L648-Y725 HydrophobicContact CD1-CE1 3.56Å; L648-Y725 HydrophobicContact CD1-CG 4.3Å; L648-Y725 HydrophobicContact CD2-CD1 4.24Å; L648-Y725 HydrophobicContact CD2-CE1 4.38Å; L648-Y725 HydrophobicContact CG-CE1 4.49Å; H660-Y725 AromaticContact CE1-CD2 3.66Å; H660-Y725 AromaticContact CE1-CE2 3.25Å; H660-Y725 WeakPolarHBondContact CE1-CE2 3.24Å; H660-Y725 AromaticContact CE1-CZ 3.78Å; H660-Y725 AromaticContact NE2-CD2 3.71Å; H660-Y725 AromaticContact NE2-CE2 3.24Å; H660-Y725 WeakPolarHBondContact NE2-CE2 3.27Å; L663-Y725 HydrophobicContact CD1-CD2 4.45Å; W698-Y725 HydrophobicContact CB-CE1 4.14Å; W698-Y725 AromaticContact CD2-CD1 3.8Å; W698-Y725 HydrophobicContact CD2-CD1 3.8Å; W698-Y725 AromaticContact CD2-CE1 3.88Å; W698-Y725 HydrophobicContact CD2-CE1 3.88Å; W698-Y725 AromaticContact CE3-CD1 3.58Å; W698-Y725 HydrophobicContact CE3-CD1 3.58Å; W698-Y725 HydrophobicContact CE3-CE1 4.09Å; W698-Y725 HydrophobicContact CG-CD1 4.31Å; W698-Y725 AromaticContact CG-CE1 3.9Å; W698-Y725 HydrophobicContact CG-CE1 3.9Å; W698-Y725 AromaticContact CZ3-CD1 3.97Å; W698-Y725 HydrophobicContact CZ3-CD1 3.97Å; I721-Y725 HydrophobicContact CG2-CD2 4.07Å; I721-Y725 HydrophobicContact CG2-CE2 4.45Å; I721-Y725 WeakPolarHBondContact O-CD2 3.27Å; I721-Y725 PolarHBondContact O-N 3.36Å
726E94.2Very high91.3Very high82 Ų8248.8 Ų48.838%0.38326%0.256SS..Iπ-helixtrans-80.5-44.7-179.4179.2177.7-122.200110.7L663 L667 R722L663-E726 HydrophobicContact CD2-CB 4.4Å; L667-E726 HydrophobicContact CD1-CB 4.06Å; L667-E726 HydrophobicContact CD1-CG 4.31Å; R722-E726 HydrophobicContact CB-CB 4.45Å; R722-E726 WeakPolarHBondContact CB-OE2 3.21Å; R722-E726 WeakPolarHBondContact CD-OE2 3.4Å; R722-E726 VanDerWaalsContact CG-OE2 3.23Å; R722-E726 WeakPolarHBondContact CG-OE2 3.42Å; R722-E726 IonicContact CZ-OE2 3.88Å; R722-E726 IonicContact NE-OE2 3.9Å; R722-E726 IonicContact NH1-OE1 3.34Å; R722-E726 PolarHBondContact NH1-OE1 2.84Å; R722-E726 IonicContact NH1-OE2 2.7Å; R722-E726 PolarHBondContact NH1-OE2 2.88Å; R722-E726 WeakPolarHBondContact O-CB 3.38Å; R722-E726 PolarHBondContact O-N 3.21Å; R722-E726 VanDerWaalsContact O-N 3.08Å
727Q93.4Very high89.9Confident103 Ų10349.2 Ų49.248%0.48127%0.274SS..SBendtrans-95.5-11.9-179.5-57.2170.310.100113.3R722 L729R722-Q727 PolarHBondContact O-N 2.99Å; Q727-L729 HydrophobicContact CB-CD1 4.44Å; Q727-L729 HydrophobicContact CB-CD2 4.23Å; Q727-L729 HydrophobicContact CB-CG 3.85Å; Q727-L729 PolarHBondContact O-N 3.31Å; Q727-L729 VanDerWaalsContact O-N 3.1Å
728R93.4Very high88.7Confident91 Ų9155.6 Ų55.634%0.34331%0.309SS..  trans54.924.7176.9-51.6-170.6-174.6-179.97.2115.1W698 A723 K724 F730 V731 A762W698-R728 HydrophobicContact CZ3-CG 4.37Å; A723-R728 PolarHBondContact O-N 3.48Å; K724-R728 WeakPolarHBondContact O-CA 3.25Å; R728-F730 PolarHBondContact O-N 3.42Å; R728-F730 VanDerWaalsContact O-N 3.15Å; R728-V731 HydrophobicContact CB-CG2 3.87Å; R728-V731 WeakPolarHBondContact O-CG2 3.38Å; R728-V731 PolarHBondContact O-N 2.86Å; R728-A762 VanDerWaalsContact CD-O 3.31Å; R728-A762 WeakPolarHBondContact CD-O 3.41Å; R728-A762 PolarHBondContact NH1-O 2.9Å
729L91.5Very high88Confident52 Ų5254.8 Ų54.827%0.27231%0.307SS..THydrogen-bonded Turntrans-63.3-26.7-169.8-62.7-175.4000114.1Q703 A723 Q727Q703-L729 PolarHBondContact NE2-O 3.21Å; A723-L729 HydrophobicContact CB-CD1 4.12Å; A723-L729 PolarHBondContact O-N 3.47Å; Q727-L729 HydrophobicContact CB-CD1 4.44Å; Q727-L729 HydrophobicContact CB-CD2 4.23Å; Q727-L729 HydrophobicContact CB-CG 3.85Å; Q727-L729 PolarHBondContact O-N 3.31Å; Q727-L729 VanDerWaalsContact O-N 3.1Å
730F93Very high87.6Confident0 Ų051.1 Ų51.10%030%0.304CS..THydrogen-bonded Turntrans-1052.5-172.8-40.4-43.5000114.3W698 A700 N701 R705 W720 A723 K724 R728W698-F730 WeakPolarHBondContact O-CB 3.26Å; A700-F730 PolarHBondContact N-O 3.1Å; A700-F730 VanDerWaalsContact N-O 3.16Å; N701-F730 PolarHBondContact N-O 2.8Å; N701-F730 VanDerWaalsContact O-CA 3.24Å; N701-F730 WeakPolarHBondContact O-CA 3.44Å; R705-F730 HydrophobicContact CB-CE1 4.5Å; R705-F730 HydrophobicContact CG-CE1 4.4Å; W720-F730 AromaticContact CD2-CE2 3.93Å; W720-F730 HydrophobicContact CD2-CE2 3.93Å; W720-F730 AromaticContact CE2-CE2 4Å; W720-F730 AromaticContact CE3-CE2 3.81Å; W720-F730 HydrophobicContact CE3-CE2 3.81Å; W720-F730 AromaticContact CE3-CZ 4Å; W720-F730 HydrophobicContact CE3-CZ 4Å; W720-F730 HydrophobicContact CH2-CD2 4.18Å; W720-F730 AromaticContact CH2-CE2 3.86Å; W720-F730 HydrophobicContact CH2-CE2 3.86Å; W720-F730 HydrophobicContact CH2-CZ 4.24Å; W720-F730 HydrophobicContact CZ2-CD2 4.13Å; W720-F730 AromaticContact CZ2-CE2 3.98Å; W720-F730 HydrophobicContact CZ2-CE2 3.98Å; W720-F730 AromaticContact CZ3-CE2 3.78Å; W720-F730 HydrophobicContact CZ3-CE2 3.78Å; W720-F730 AromaticContact CZ3-CZ 3.83Å; W720-F730 HydrophobicContact CZ3-CZ 3.83Å; A723-F730 HydrophobicContact CB-CE1 4.41Å; A723-F730 HydrophobicContact CB-CE2 3.77Å; A723-F730 HydrophobicContact CB-CZ 3.51Å; K724-F730 HydrophobicContact CB-CD2 3.89Å; K724-F730 HydrophobicContact CB-CE2 4.08Å; K724-F730 HydrophobicContact CG-CD2 4.23Å; R728-F730 PolarHBondContact O-N 3.42Å; R728-F730 VanDerWaalsContact O-N 3.15Å
731V92.8Very high87.2Confident14 Ų1451.4 Ų51.49%0.08531%0.306CS..PPolyproline II helixtrans-67138.9-176.8-175.70000110.3V697 W698 R728 L759 A762 H763V697-V731 HydrophobicContact CG1-CG1 4.26Å; V697-V731 CarbonylContact O-C 3.42Å; V697-V731 VanDerWaalsContact O-CA 3.25Å; V697-V731 WeakPolarHBondContact O-CA 3.21Å; W698-V731 HydrophobicContact CD2-CG2 4.35Å; W698-V731 HydrophobicContact CE3-CG2 3.49Å; W698-V731 VanDerWaalsContact CE3-CG2 3.49Å; W698-V731 HydrophobicContact CZ3-CG2 3.71Å; R728-V731 HydrophobicContact CB-CG2 3.87Å; R728-V731 WeakPolarHBondContact O-CG2 3.38Å; R728-V731 PolarHBondContact O-N 2.86Å; V731-L759 HydrophobicContact CG1-CD1 4.19Å; V731-A762 HydrophobicContact CG1-CB 3.86Å; V731-H763 WeakPolarHBondContact CG1-NE2 3.28Å
732A90.3Very high86.8Confident14 Ų1451.4 Ų51.412%0.11631%0.306CS..PPolyproline II helixtrans-56.2146.317800000111.9V697 A700 L759 H763V697-A732 PolarHBondContact O-N 3.19Å; A700-A732 HydrophobicContact CB-CB 3.57Å; A732-L759 HydrophobicContact CB-CD1 3.88Å; A732-L759 WeakPolarHBondContact O-CD1 3.44Å; A732-H763 PolarHBondContact O-NE2 3.43Å
733A87.6Confident86.4Confident91 Ų9150.8 Ų50.875%0.75231%0.306SS*.PPolyproline II helixtrans-67148.4176.100000111.7
734L85.1Confident86.2Confident58 Ų5851.7 Ų51.730%0.30431%0.31SS..PPolyproline II helixtrans-73145.6175.5-69.7174.5000111.8G736 L741 L759 L760 H763L734-G736 VanDerWaalsContact C-N 3.27Å; L734-G736 PolarHBondContact O-N 2.88Å; L734-L741 HydrophobicContact CD1-CD1 3.9Å; L734-L759 HydrophobicContact CD2-CG 4.29Å; L734-L760 HydrophobicContact CD2-CD2 3.78Å; L734-H763 HydrophobicContact CD1-CB 4.05Å; L734-H763 HydrophobicContact CD2-CB 4.23Å; L734-H763 VanDerWaalsContact CD2-CD2 3.43Å; L734-H763 WeakPolarHBondContact CD2-CD2 3.4Å; L734-H763 HydrophobicContact CG-CB 4.39Å
735P70.7Confident86.1Confident100 Ų10051.7 Ų51.765%0.64931%0.31SS*.SBendtrans-77.872.2-179.833.8-36.3000112
736G66.9Low85.8Confident44 Ų4452.3 Ų52.345%0.45431%0.313SS..  trans88.6159178.100000114.4L734 Q744L734-G736 VanDerWaalsContact C-N 3.27Å; L734-G736 PolarHBondContact O-N 2.88Å; G736-Q744 PolarHBondContact O-NE2 3.05Å
737A66.2Low85.6Confident94 Ų9454.5 Ų54.578%0.77732%0.318SS*.SBendtrans-89-20-176.500000114
738D70.9Confident85.6Confident143 Ų14349.9 Ų49.977%0.76530%0.298SS*.SBendtrans-118.1134.7174.8-85.9-57.9000109.8
739P81.4Confident85.5Confident27 Ų2745.6 Ų45.618%0.17528%0.282CS..SBendcis-73.9169.7-331.9-35.6000113Q743 Q744P739-Q743 HydrophobicContact CB-CB 4.19Å; P739-Q743 HydrophobicContact CB-CG 4.23Å; P739-Q743 VanDerWaalsContact CB-OE1 3.23Å; P739-Q743 HydrophobicContact CG-CG 4.49Å; P739-Q744 HydrophobicContact CG-CG 3.98Å; P739-Q744 WeakPolarHBondContact O-CG 3.48Å; P739-Q744 PolarHBondContact O-NE2 3.28Å
740P87.3Confident85.5Confident76 Ų7645 Ų4549%0.49429%0.285SS..  trans-58.7153.617723.1-35.1000113.9G742 Q743 Q744P740-G742 PolarHBondContact O-N 2.94Å; P740-Q743 HydrophobicContact CG-CB 4.32Å; P740-Q743 WeakPolarHBondContact O-CA 3.3Å; P740-Q743 WeakPolarHBondContact O-CB 3.3Å; P740-Q743 PolarHBondContact O-N 3.2Å; P740-Q744 PolarHBondContact O-N 3.27Å
741L88Confident85.5Confident20 Ų2051.5 Ų51.511%0.10532%0.315CS..Hα-helixtrans-53.1-43.3-169.7-170.4156.6000114.1L734 Q743 Q744 L745 L760 H763 A764 Q768L734-L741 HydrophobicContact CD1-CD1 3.9Å; L741-Q743 VanDerWaalsContact C-N 3.33Å; L741-Q743 PolarHBondContact O-N 3.48Å; L741-Q744 WeakPolarHBondContact O-CB 3.31Å; L741-Q744 PolarHBondContact O-N 3.28Å; L741-L745 PolarHBondContact O-N 3.17Å; L741-L760 HydrophobicContact CG-CD2 4.02Å; L741-H763 HydrophobicContact CD1-CB 3.76Å; L741-A764 HydrophobicContact CD2-CB 3.82Å; L741-Q768 HydrophobicContact CD2-CB 4.12Å
742G87.6Confident85.5Confident0 Ų054.5 Ų54.50%033%0.328CS..Hα-helixtrans-59.1-43.2175.800000112.6P740 Q744 L745 L746 D771P740-G742 PolarHBondContact O-N 2.94Å; G742-Q744 PolarHBondContact O-N 3.33Å; G742-L745 WeakPolarHBondContact O-CB 3.44Å; G742-L745 PolarHBondContact O-N 3.01Å; G742-L745 VanDerWaalsContact O-N 3.11Å; G742-L746 WeakPolarHBondContact O-CD1 3.12Å; G742-L746 PolarHBondContact O-N 3.19Å; G742-D771 WeakPolarHBondContact CA-OD2 3.14Å
743Q88.5Confident85.7Confident52 Ų5257.5 Ų57.524%0.24334%0.342CS..Hα-helixtrans-68.5-33.4176.4-167.5178.711.100112.4P739 P740 L741 L745 R747 F773P739-Q743 HydrophobicContact CB-CB 4.19Å; P739-Q743 HydrophobicContact CB-CG 4.23Å; P739-Q743 VanDerWaalsContact CB-OE1 3.23Å; P739-Q743 HydrophobicContact CG-CG 4.49Å; P740-Q743 HydrophobicContact CG-CB 4.32Å; P740-Q743 WeakPolarHBondContact O-CA 3.3Å; P740-Q743 WeakPolarHBondContact O-CB 3.3Å; P740-Q743 PolarHBondContact O-N 3.2Å; L741-Q743 VanDerWaalsContact C-N 3.33Å; L741-Q743 PolarHBondContact O-N 3.48Å; Q743-L745 VanDerWaalsContact C-N 3.33Å; Q743-R747 PolarHBondContact O-N 2.82Å; Q743-R747 VanDerWaalsContact O-N 3.11Å; Q743-F773 HydrophobicContact CG-CD2 4.22Å; Q743-F773 HydrophobicContact CG-CE2 4.44Å; Q743-F773 HydrophobicContact CG-CG 4.43Å; Q743-F773 VanDerWaalsContact NE2-CZ 3.31Å
744Q90.6Very high86Confident20 Ų2054.5 Ų54.59%0.09331%0.313CS..Hα-helixtrans-62.4-41.5168.7-60.8-172.12500111G736 P739 P740 L741 G742 R747 A748 L760G736-Q744 PolarHBondContact O-NE2 3.05Å; P739-Q744 HydrophobicContact CG-CG 3.98Å; P739-Q744 WeakPolarHBondContact O-CG 3.48Å; P739-Q744 PolarHBondContact O-NE2 3.28Å; P740-Q744 PolarHBondContact O-N 3.27Å; L741-Q744 WeakPolarHBondContact O-CB 3.31Å; L741-Q744 PolarHBondContact O-N 3.28Å; G742-Q744 PolarHBondContact O-N 3.33Å; Q744-R747 PolarHBondContact O-N 3.38Å; Q744-A748 PolarHBondContact O-N 3.22Å; Q744-L760 HydrophobicContact CB-CD1 3.95Å; Q744-L760 HydrophobicContact CB-CD2 3.71Å
745L92.1Very high86.4Confident0 Ų056.6 Ų56.60%032%0.317CS..Hα-helixtrans-67.7-39.7179.2-17863.8000112.5L741 G742 Q743 R747 A749 V757 L760 L761 P779 L795L741-L745 PolarHBondContact O-N 3.17Å; G742-L745 WeakPolarHBondContact O-CB 3.44Å; G742-L745 PolarHBondContact O-N 3.01Å; G742-L745 VanDerWaalsContact O-N 3.11Å; Q743-L745 VanDerWaalsContact C-N 3.33Å; L745-R747 VanDerWaalsContact C-N 3.35Å; L745-A749 VanDerWaalsContact O-CB 3.27Å; L745-A749 WeakPolarHBondContact O-CB 3.06Å; L745-A749 PolarHBondContact O-N 3.17Å; L745-V757 HydrophobicContact CD1-CB 4.45Å; L745-V757 HydrophobicContact CD1-CG1 4.06Å; L745-V757 HydrophobicContact CD1-CG2 4.27Å; L745-L760 HydrophobicContact CB-CB 4.46Å; L745-L760 HydrophobicContact CB-CD1 4.45Å; L745-L760 HydrophobicContact CD1-CB 4.02Å; L745-L761 HydrophobicContact CD1-CD2 4.22Å; L745-L761 HydrophobicContact CD1-CG 4.28Å; L745-L761 HydrophobicContact CD2-CD2 4.03Å; L745-P779 HydrophobicContact CD2-CG 4Å; L745-P779 HydrophobicContact CG-CB 4.28Å; L745-P779 HydrophobicContact CG-CG 3.92Å; L745-L795 HydrophobicContact CD2-CD2 4.3Å
746L90.4Very high87.5Confident17 Ų1752.3 Ų52.39%0.08929%0.292CS..Hα-helixtrans-60-44170.2-8885.2000111.5G742 A749 A750 D771 F773 P779 L782G742-L746 WeakPolarHBondContact O-CD1 3.12Å; G742-L746 PolarHBondContact O-N 3.19Å; L746-A749 PolarHBondContact O-N 3.11Å; L746-A750 WeakPolarHBondContact O-CB 3.48Å; L746-A750 PolarHBondContact O-N 3.2Å; L746-D771 WeakPolarHBondContact CD1-O 3.34Å; L746-F773 HydrophobicContact CD2-CB 3.8Å; L746-P779 HydrophobicContact CD1-CG 3.78Å; L746-P779 HydrophobicContact CG-CG 4.13Å; L746-L782 HydrophobicContact CB-CD1 4.16Å; L746-L782 HydrophobicContact CD2-CD1 4.41Å; L746-L782 HydrophobicContact CG-CD1 4.15Å; L746-L782 WeakPolarHBondContact O-CD1 3.26Å
747R90.9Very high88.8Confident128 Ų12850.2 Ų50.248%0.48327%0.27SS..Hα-helixtrans-62.6-51.2178.6-175.6-178.8-63.3157.31.7111.3Q743 Q744 L745 A749 A750 E751Q743-R747 PolarHBondContact O-N 2.82Å; Q743-R747 VanDerWaalsContact O-N 3.11Å; Q744-R747 PolarHBondContact O-N 3.38Å; L745-R747 VanDerWaalsContact C-N 3.35Å; R747-A749 VanDerWaalsContact C-N 3.27Å; R747-A749 PolarHBondContact O-N 3.18Å; R747-A750 PolarHBondContact O-N 3.36Å; R747-E751 WeakPolarHBondContact CD-OE1 3.49Å; R747-E751 VanDerWaalsContact CG-CD 3.46Å; R747-E751 HydrophobicContact CG-CG 4.32Å; R747-E751 WeakPolarHBondContact CG-OE1 3.3Å; R747-E751 WeakPolarHBondContact O-CB 3.49Å; R747-E751 WeakPolarHBondContact O-CG 3.23Å; R747-E751 PolarHBondContact O-N 2.72Å
748A92.3Very high90.2Very high7 Ų746.1 Ų46.16%0.05824%0.235CC..Hα-helixtrans-60.6-35.4178.600000112.3Q744 E752 D753 V757 L760Q744-A748 PolarHBondContact O-N 3.22Å; A748-E752 WeakPolarHBondContact O-CA 3.49Å; A748-E752 PolarHBondContact O-N 3.26Å; A748-D753 PolarHBondContact O-N 3.47Å; A748-V757 HydrophobicContact CB-CG2 3.7Å; A748-L760 HydrophobicContact CB-CD1 3.91Å
749A92.3Very high91.3Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-70.8-32.3173.700000113.6L745 L746 R747 P779 L782L745-A749 VanDerWaalsContact O-CB 3.27Å; L745-A749 WeakPolarHBondContact O-CB 3.06Å; L745-A749 PolarHBondContact O-N 3.17Å; L746-A749 PolarHBondContact O-N 3.11Å; R747-A749 VanDerWaalsContact C-N 3.27Å; R747-A749 PolarHBondContact O-N 3.18Å; A749-P779 HydrophobicContact CB-CB 4.24Å; A749-L782 HydrophobicContact CB-CB 4.47Å
750A91.2Very high91.9Very high41 Ų4139 Ų3934%0.33920%0.196SC..Hα-helixtrans-75.3-37.3175.400000112.7L746 R747 E752 L782 K786L746-A750 WeakPolarHBondContact O-CB 3.48Å; L746-A750 PolarHBondContact O-N 3.2Å; R747-A750 PolarHBondContact O-N 3.36Å; A750-E752 VanDerWaalsContact C-N 3.31Å; A750-L782 HydrophobicContact CB-CD1 4.29Å; A750-K786 PolarHBondContact O-NZ 2.97Å
751E92.6Very high92.2Very high136 Ų13635.5 Ų35.564%0.63617%0.172SC*.Hα-helixtrans-80.9-11176.3-69169.3-172.900112.8R747 D753R747-E751 WeakPolarHBondContact CD-OE1 3.49Å; R747-E751 VanDerWaalsContact CG-CD 3.46Å; R747-E751 HydrophobicContact CG-CG 4.32Å; R747-E751 WeakPolarHBondContact CG-OE1 3.3Å; R747-E751 WeakPolarHBondContact O-CB 3.49Å; R747-E751 WeakPolarHBondContact O-CG 3.23Å; R747-E751 PolarHBondContact O-N 2.72Å; E751-D753 VanDerWaalsContact C-N 3.27Å; E751-D753 PolarHBondContact O-N 2.77Å
752E92.3Very high92.4Very high76 Ų7634.5 Ų34.536%0.35517%0.167SC..THydrogen-bonded Turntrans62.125.8-177.8-60.1-178.7-121.300114.8A748 A750 L754 K786 N788 L791A748-E752 WeakPolarHBondContact O-CA 3.49Å; A748-E752 PolarHBondContact O-N 3.26Å; A750-E752 VanDerWaalsContact C-N 3.31Å; E752-L754 PolarHBondContact O-N 3.12Å; E752-K786 HydrophobicContact CG-CG 4.33Å; E752-K786 WeakPolarHBondContact OE1-CD 3.46Å; E752-K786 WeakPolarHBondContact OE1-CG 3.47Å; E752-K786 IonicContact OE1-NZ 3.45Å; E752-K786 PolarHBondContact OE1-NZ 3.21Å; E752-N788 PolarHBondContact OE2-ND2 3.28Å; E752-L791 HydrophobicContact CB-CD1 4.27Å; E752-L791 HydrophobicContact CG-CD1 4.29Å
753D94.1Very high92.5Very high77 Ų7737.5 Ų37.541%0.41218%0.181SC..  trans-71.393.7171.9177.113.5000111.1A748 E751 R755 G756 V757A748-D753 PolarHBondContact O-N 3.47Å; E751-D753 VanDerWaalsContact C-N 3.27Å; E751-D753 PolarHBondContact O-N 2.77Å; D753-R755 VanDerWaalsContact C-N 3.27Å; D753-R755 PolarHBondContact O-N 3.34Å; D753-R755 PolarHBondContact OD1-N 3.4Å; D753-G756 PolarHBondContact O-N 3.29Å; D753-G756 PolarHBondContact OD1-N 2.81Å; D753-G756 WeakPolarHBondContact OD2-CA 3.43Å; D753-G756 PolarHBondContact OD2-N 3.23Å; D753-V757 WeakPolarHBondContact O-CG2 3.2Å; D753-V757 PolarHBondContact O-N 2.71Å
754L94.1Very high92.5Very high29 Ų2935.4 Ų35.415%0.15217%0.173CC..Hα-helixtrans-56.8-36.3174.7179.261.7000113.2A688 I689 E752 V758 V790 L791 L794A688-L754 HydrophobicContact CB-CD2 3.6Å; A688-L754 VanDerWaalsContact O-CD2 3.24Å; A688-L754 WeakPolarHBondContact O-CD2 3.25Å; I689-L754 HydrophobicContact CG1-CD1 4.32Å; I689-L754 HydrophobicContact CG1-CD2 4.11Å; I689-L754 HydrophobicContact CG1-CG 4.41Å; E752-L754 PolarHBondContact O-N 3.12Å; L754-V758 HydrophobicContact CD1-CG2 4.08Å; L754-V758 WeakPolarHBondContact O-CB 3.12Å; L754-V758 VanDerWaalsContact O-CG2 3.25Å; L754-V758 WeakPolarHBondContact O-CG2 3.33Å; L754-V758 PolarHBondContact O-N 3.01Å; L754-V790 HydrophobicContact CD1-CG1 3.76Å; L754-V790 HydrophobicContact CD2-CG1 4.39Å; L754-L791 HydrophobicContact CB-CD2 4.43Å; L754-L791 HydrophobicContact CD1-CD2 3.7Å; L754-L794 HydrophobicContact CD1-CD1 3.73Å
755R94.4Very high92.2Very high101 Ų10136.8 Ų36.838%0.38119%0.185SC..Hα-helixtrans-74.6-41.4-179-173.3176.8173.8-79.7-6.6110.7L693 S696 V697 D753 V758 L759L693-R755 HydrophobicContact CD1-CB 4.38Å; L693-R755 HydrophobicContact CD2-CB 4.33Å; L693-R755 HydrophobicContact CD2-CG 4.25Å; L693-R755 HydrophobicContact CG-CB 4.45Å; L693-R755 HydrophobicContact CG-CG 4.38Å; S696-R755 PolarHBondContact O-NH2 2.99Å; S696-R755 PolarHBondContact OG-NE 3.07Å; V697-R755 HydrophobicContact CG2-CG 4.24Å; D753-R755 VanDerWaalsContact C-N 3.27Å; D753-R755 PolarHBondContact O-N 3.34Å; D753-R755 PolarHBondContact OD1-N 3.4Å; R755-V758 PolarHBondContact O-N 2.91Å; R755-L759 VanDerWaalsContact O-CB 3.31Å; R755-L759 WeakPolarHBondContact O-CB 3.47Å; R755-L759 PolarHBondContact O-N 3.13Å
756G93.7Very high91.9Very high11 Ų1145.2 Ų45.211%0.11322%0.217CC..Hα-helixtrans-57.1-48.8170.100000111.8D753 L759 L760D753-G756 PolarHBondContact O-N 3.29Å; D753-G756 PolarHBondContact OD1-N 2.81Å; D753-G756 WeakPolarHBondContact OD2-CA 3.43Å; D753-G756 PolarHBondContact OD2-N 3.23Å; G756-L759 PolarHBondContact O-N 3.49Å; G756-L760 WeakPolarHBondContact O-CB 3.36Å; G756-L760 WeakPolarHBondContact O-CD1 3.28Å; G756-L760 VanDerWaalsContact O-CG 3.23Å; G756-L760 WeakPolarHBondContact O-CG 3.45Å; G756-L760 PolarHBondContact O-N 2.83Å
757V94.2Very high91.6Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-61.6-47176.8171.80000111.8L745 A748 D753 L759 L760 L761 L791L745-V757 HydrophobicContact CD1-CB 4.45Å; L745-V757 HydrophobicContact CD1-CG1 4.06Å; L745-V757 HydrophobicContact CD1-CG2 4.27Å; A748-V757 HydrophobicContact CB-CG2 3.7Å; D753-V757 WeakPolarHBondContact O-CG2 3.2Å; D753-V757 PolarHBondContact O-N 2.71Å; V757-L759 VanDerWaalsContact C-N 3.33Å; V757-L759 PolarHBondContact O-N 2.92Å; V757-L760 PolarHBondContact O-N 3.38Å; V757-L761 HydrophobicContact CG1-CD1 3.71Å; V757-L761 HydrophobicContact CG1-CG 4.12Å; V757-L761 WeakPolarHBondContact O-CB 3.36Å; V757-L761 VanDerWaalsContact O-CG 3.25Å; V757-L761 WeakPolarHBondContact O-CG 3.31Å; V757-L761 PolarHBondContact O-N 2.96Å; V757-L791 HydrophobicContact CB-CD2 3.98Å; V757-L791 HydrophobicContact CG1-CD2 3.99Å; V757-L791 HydrophobicContact CG2-CD2 4.04Å
758V95Very high91.4Very high7 Ų748.7 Ų48.74%0.04224%0.238CC..Hα-helixtrans-62.3-39.6178.1170.60000111.7I689 V697 L754 R755 A762 L794I689-V758 HydrophobicContact CD1-CG2 3.93Å; I689-V758 HydrophobicContact CG1-CG2 4.34Å; V697-V758 HydrophobicContact CB-CG1 4.45Å; V697-V758 HydrophobicContact CG1-CG1 4.36Å; V697-V758 HydrophobicContact CG2-CG1 4.21Å; L754-V758 HydrophobicContact CD1-CG2 4.08Å; L754-V758 WeakPolarHBondContact O-CB 3.12Å; L754-V758 VanDerWaalsContact O-CG2 3.25Å; L754-V758 WeakPolarHBondContact O-CG2 3.33Å; L754-V758 PolarHBondContact O-N 3.01Å; R755-V758 PolarHBondContact O-N 2.91Å; V758-A762 WeakPolarHBondContact O-CB 3.23Å; V758-A762 PolarHBondContact O-N 2.92Å; V758-L794 HydrophobicContact CG2-CD1 4.2Å
759L94.5Very high91.3Very high14 Ų1448.5 Ų48.57%0.07324%0.236CC..Hα-helixtrans-63.8-47.4173.9174.657.5000112.2V697 V731 A732 L734 R755 G756 V757 A762 H763V697-L759 HydrophobicContact CG1-CB 4.33Å; V697-L759 HydrophobicContact CG1-CD1 4.07Å; V697-L759 HydrophobicContact CG2-CB 4.2Å; V731-L759 HydrophobicContact CG1-CD1 4.19Å; A732-L759 HydrophobicContact CB-CD1 3.88Å; A732-L759 WeakPolarHBondContact O-CD1 3.44Å; L734-L759 HydrophobicContact CD2-CG 4.29Å; R755-L759 VanDerWaalsContact O-CB 3.31Å; R755-L759 WeakPolarHBondContact O-CB 3.47Å; R755-L759 PolarHBondContact O-N 3.13Å; G756-L759 PolarHBondContact O-N 3.49Å; V757-L759 VanDerWaalsContact C-N 3.33Å; V757-L759 PolarHBondContact O-N 2.92Å; L759-A762 WeakPolarHBondContact O-CB 3.19Å; L759-A762 PolarHBondContact O-N 3.05Å; L759-H763 PolarHBondContact O-CD2 2.85Å; L759-H763 PolarHBondContact O-N 3.09Å
760L93.5Very high91.1Very high8 Ų850.9 Ų50.94%0.04225%0.249CC..Hα-helixtrans-66.5-39.1-178.7-72.8161000111.2L734 L741 Q744 L745 A748 G756 V757 A762 H763 A764L734-L760 HydrophobicContact CD2-CD2 3.78Å; L741-L760 HydrophobicContact CG-CD2 4.02Å; Q744-L760 HydrophobicContact CB-CD1 3.95Å; Q744-L760 HydrophobicContact CB-CD2 3.71Å; L745-L760 HydrophobicContact CB-CB 4.46Å; L745-L760 HydrophobicContact CB-CD1 4.45Å; L745-L760 HydrophobicContact CD1-CB 4.02Å; A748-L760 HydrophobicContact CB-CD1 3.91Å; G756-L760 WeakPolarHBondContact O-CB 3.36Å; G756-L760 WeakPolarHBondContact O-CD1 3.28Å; G756-L760 VanDerWaalsContact O-CG 3.23Å; G756-L760 WeakPolarHBondContact O-CG 3.45Å; G756-L760 PolarHBondContact O-N 2.83Å; V757-L760 PolarHBondContact O-N 3.38Å; L760-A762 VanDerWaalsContact C-N 3.33Å; L760-A762 PolarHBondContact O-N 3Å; L760-H763 CarbonylContact O-C 3.54Å; L760-H763 PolarHBondContact O-N 2.81Å; L760-H763 VanDerWaalsContact O-N 3.14Å; L760-A764 WeakPolarHBondContact O-CB 3.35Å; L760-A764 PolarHBondContact O-N 2.82Å
761L93.4Very high90.9Very high1 Ų151.9 Ų51.91%0.00525%0.248CC..Hα-helixtrans-66.9-30.6172.8-68.8179.2000113.1L745 V757 H763 V769 L794 L795 Y798L745-L761 HydrophobicContact CD1-CD2 4.22Å; L745-L761 HydrophobicContact CD1-CG 4.28Å; L745-L761 HydrophobicContact CD2-CD2 4.03Å; V757-L761 HydrophobicContact CG1-CD1 3.71Å; V757-L761 HydrophobicContact CG1-CG 4.12Å; V757-L761 WeakPolarHBondContact O-CB 3.36Å; V757-L761 VanDerWaalsContact O-CG 3.25Å; V757-L761 WeakPolarHBondContact O-CG 3.31Å; V757-L761 PolarHBondContact O-N 2.96Å; L761-H763 PolarHBondContact O-N 3.42Å; L761-V769 HydrophobicContact CD2-CG1 4.46Å; L761-V769 HydrophobicContact CD2-CG2 3.8Å; L761-L794 HydrophobicContact CD1-CB 4.08Å; L761-L795 HydrophobicContact CD2-CD2 4.21Å; L761-Y798 HydrophobicContact CB-CD1 3.87Å; L761-Y798 HydrophobicContact CB-CD2 4.32Å; L761-Y798 HydrophobicContact CB-CE1 3.86Å; L761-Y798 HydrophobicContact CB-CE2 4.31Å; L761-Y798 HydrophobicContact CB-CG 4.12Å; L761-Y798 HydrophobicContact CD1-CD2 3.92Å; L761-Y798 HydrophobicContact CD1-CE2 4.3Å; L761-Y798 HydrophobicContact CD1-CG 4.17Å; L761-Y798 HydrophobicContact CD2-CD1 4.29Å; L761-Y798 HydrophobicContact CD2-CG 4.04Å; L761-Y798 HydrophobicContact CG-CG 4.34Å; L761-Y798 VanDerWaalsContact O-CE1 3.23Å; L761-Y798 WeakPolarHBondContact O-CE1 3.12Å
762A92.2Very high90.6Very high0 Ų049 Ų490%024%0.24CC..Hα-helixtrans-66.7-21.6171.800000113.2V697 W698 R728 V731 V758 L759 L760V697-A762 HydrophobicContact CG1-CB 4.02Å; W698-A762 HydrophobicContact CH2-CB 3.66Å; W698-A762 HydrophobicContact CZ2-CB 3.52Å; W698-A762 HydrophobicContact CZ3-CB 4.26Å; R728-A762 VanDerWaalsContact CD-O 3.31Å; R728-A762 WeakPolarHBondContact CD-O 3.41Å; R728-A762 PolarHBondContact NH1-O 2.9Å; V731-A762 HydrophobicContact CG1-CB 3.86Å; V758-A762 WeakPolarHBondContact O-CB 3.23Å; V758-A762 PolarHBondContact O-N 2.92Å; L759-A762 WeakPolarHBondContact O-CB 3.19Å; L759-A762 PolarHBondContact O-N 3.05Å; L760-A762 VanDerWaalsContact C-N 3.33Å; L760-A762 PolarHBondContact O-N 3Å
763H90.2Very high89.8Confident62 Ų6251.2 Ų51.229%0.28725%0.249SC..Hα-helixtrans-101.5-25.1174.1-74.2-73.1000114.1V731 A732 L734 L741 L759 L760 L761V731-H763 WeakPolarHBondContact CG1-NE2 3.28Å; A732-H763 PolarHBondContact O-NE2 3.43Å; L734-H763 HydrophobicContact CD1-CB 4.05Å; L734-H763 HydrophobicContact CD2-CB 4.23Å; L734-H763 VanDerWaalsContact CD2-CD2 3.43Å; L734-H763 WeakPolarHBondContact CD2-CD2 3.4Å; L734-H763 HydrophobicContact CG-CB 4.39Å; L741-H763 HydrophobicContact CD1-CB 3.76Å; L759-H763 PolarHBondContact O-CD2 2.85Å; L759-H763 PolarHBondContact O-N 3.09Å; L760-H763 CarbonylContact O-C 3.54Å; L760-H763 PolarHBondContact O-N 2.81Å; L760-H763 VanDerWaalsContact O-N 3.14Å; L761-H763 PolarHBondContact O-N 3.42Å
764A87.8Confident89Confident8 Ų850.9 Ų50.97%0.06626%0.263CS..  trans-62.9145.7-173.200000114.1L741 L760 V769L741-A764 HydrophobicContact CD2-CB 3.82Å; L760-A764 WeakPolarHBondContact O-CB 3.35Å; L760-A764 PolarHBondContact O-N 2.82Å; A764-V769 HydrophobicContact CB-CG2 3.75Å
765S86.2Confident88.2Confident50 Ų5054.3 Ų54.335%0.3528%0.282SS..  trans-88.2160.8155.569.20000110.8Q767 Q768 V769S765-Q767 PolarHBondContact O-N 2.82Å; S765-Q767 VanDerWaalsContact O-N 3.13Å; S765-Q768 PolarHBondContact O-N 2.82Å; S765-Q768 PolarHBondContact OG-OE1 2.93Å; S765-V769 PolarHBondContact O-N 3.29Å
766R84.4Confident87.7Confident177 Ų17750.3 Ų50.367%0.66827%0.272SS*.THydrogen-bonded Turntrans-59.7-25.1178.5-173.5173.9179.6-167.8-2.9113.6N770 G799R766-N770 PolarHBondContact O-ND2 2.98Å; R766-G799 PolarHBondContact NE-O 3.17Å
767Q84.8Confident87.4Confident158 Ų15851.1 Ų51.174%0.73828%0.276SS*.THydrogen-bonded Turntrans-68.6-49.6172.8-73.9176-28.100110.4S765 V769 N770 D771S765-Q767 PolarHBondContact O-N 2.82Å; S765-Q767 VanDerWaalsContact O-N 3.13Å; Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 PolarHBondContact O-N 3.07Å; Q767-N770 CarbonylContact O-C 3.38Å; Q767-N770 WeakPolarHBondContact O-CA 3.43Å; Q767-N770 WeakPolarHBondContact O-CB 3.45Å; Q767-N770 PolarHBondContact O-N 3.48Å; Q767-D771 PolarHBondContact O-N 2.82Å
768Q87Confident87.3Confident60 Ų6051.2 Ų51.228%0.2828%0.277SS..G310 helixtrans-65.8-27-177.8-67.3158.4-54.400114.4L741 S765 N770 D771L741-Q768 HydrophobicContact CD2-CB 4.12Å; S765-Q768 PolarHBondContact O-N 2.82Å; S765-Q768 PolarHBondContact OG-OE1 2.93Å; Q768-N770 PolarHBondContact O-N 3.08Å; Q768-D771 WeakPolarHBondContact CA-OD2 3.29Å; Q768-D771 PolarHBondContact O-N 2.97Å
769V89.1Confident87.1Confident3 Ų350.9 Ų50.92%0.01828%0.275CS..G310 helixtrans-63.5-22.2170.4178.10000112L761 A764 S765 Q767 L795 A800L761-V769 HydrophobicContact CD2-CG1 4.46Å; L761-V769 HydrophobicContact CD2-CG2 3.8Å; A764-V769 HydrophobicContact CB-CG2 3.75Å; S765-V769 PolarHBondContact O-N 3.29Å; Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 PolarHBondContact O-N 3.07Å; V769-L795 HydrophobicContact CG1-CD2 4.13Å; V769-A800 HydrophobicContact CG1-CB 4Å
770N89.4Confident87.1Confident49 Ų4950.4 Ų50.426%0.26227%0.272SS..G310 helixtrans-109.77.8-178.7-69.3-69.7000113.5R766 Q767 Q768 G799 A800 D801R766-N770 PolarHBondContact O-ND2 2.98Å; Q767-N770 CarbonylContact O-C 3.38Å; Q767-N770 WeakPolarHBondContact O-CA 3.43Å; Q767-N770 WeakPolarHBondContact O-CB 3.45Å; Q767-N770 PolarHBondContact O-N 3.48Å; Q768-N770 PolarHBondContact O-N 3.08Å; N770-G799 PolarHBondContact ND2-O 3.37Å; N770-G799 VanDerWaalsContact ND2-O 3.08Å; N770-A800 VanDerWaalsContact OD1-CA 3.3Å; N770-A800 WeakPolarHBondContact OD1-CA 3.47Å; N770-D801 PolarHBondContact OD1-N 3.1Å
771D86.9Confident87.1Confident62 Ų6250.1 Ų50.133%0.33227%0.271SS..  trans-58.1144.5169.8-72-14.8000109.4G742 L746 Q767 Q768G742-D771 WeakPolarHBondContact CA-OD2 3.14Å; L746-D771 WeakPolarHBondContact CD1-O 3.34Å; Q767-D771 PolarHBondContact O-N 2.82Å; Q768-D771 WeakPolarHBondContact CA-OD2 3.29Å; Q768-D771 PolarHBondContact O-N 2.97Å
772T84.6Confident87Confident77 Ų7752 Ų5247%0.47228%0.281SS..  trans-126.5154.7176.560.50000110.3G776 C777T772-G776 WeakPolarHBondContact CG2-O 3.45Å; T772-C777 VanDerWaalsContact CA-O 3.23Å; T772-C777 WeakPolarHBondContact CA-O 3.09Å; T772-C777 VanDerWaalsContact CB-O 3.24Å; T772-C777 WeakPolarHBondContact CB-O 3.35Å
773F75.6Confident87.1Confident122 Ų12252 Ų5254%0.53528%0.281SS..BIsolated β-bridgetrans-143.9145.3-178.6-156.2-89.9000111.3Q743 L746 D775 C777Q743-F773 HydrophobicContact CG-CD2 4.22Å; Q743-F773 HydrophobicContact CG-CE2 4.44Å; Q743-F773 HydrophobicContact CG-CG 4.43Å; Q743-F773 VanDerWaalsContact NE2-CZ 3.31Å; L746-F773 HydrophobicContact CD2-CB 3.8Å; F773-D775 PolarHBondContact O-N 3.04Å; F773-C777 PolarHBondContact N-O 3.31Å
774G77.1Confident87.3Confident69 Ų6949.1 Ų49.171%0.71127%0.267SS*.THydrogen-bonded Turntrans62.2-119.5-173.400000111.1G776G774-G776 PolarHBondContact O-N 3.01Å
775D79.1Confident87.5Confident101 Ų10153.2 Ų53.254%0.5429%0.285SS..THydrogen-bonded Turntrans-74.533.2-172.5-47.3-45.7000114.1F773 C777 D806 A807F773-D775 PolarHBondContact O-N 3.04Å; D775-C777 PolarHBondContact O-N 2.56Å; D775-C777 VanDerWaalsContact O-N 3.12Å; D775-D806 WeakPolarHBondContact O-CB 3.42Å; D775-A807 HydrophobicContact CB-CB 4.28Å; D775-A807 VanDerWaalsContact O-CB 3.26Å; D775-A807 WeakPolarHBondContact O-CB 3.34Å; D775-A807 PolarHBondContact O-N 3.16Å
776G83.1Confident87.7Confident18 Ų1855.4 Ų55.419%0.18629%0.288CS..THydrogen-bonded Turntrans67.48-176.900000114.8T772 G774T772-G776 WeakPolarHBondContact CG2-O 3.45Å; G774-G776 PolarHBondContact O-N 3.01Å
777C87.2Confident88.1Confident27 Ų2747.8 Ų47.818%0.18227%0.265CS..BIsolated β-bridgetrans-61.9141.1175.3-76.20000111.3T772 F773 D775T772-C777 VanDerWaalsContact CA-O 3.23Å; T772-C777 WeakPolarHBondContact CA-O 3.09Å; T772-C777 VanDerWaalsContact CB-O 3.24Å; T772-C777 WeakPolarHBondContact CB-O 3.35Å; F773-C777 PolarHBondContact N-O 3.31Å; D775-C777 PolarHBondContact O-N 2.56Å; D775-C777 VanDerWaalsContact O-N 3.12Å
778S91.5Very high88.5Confident3 Ų342 Ų422%0.02124%0.239CC..  trans-116166.4177.773.80000110.1L780 H781 L782S778-L780 PolarHBondContact O-N 3.02Å; S778-L780 PolarHBondContact OG-N 3.04Å; S778-H781 PolarHBondContact N-ND1 2.82Å; S778-H781 WeakPolarHBondContact O-CB 3.23Å; S778-H781 PolarHBondContact O-N 2.72Å; S778-H781 VanDerWaalsContact O-N 3.11Å; S778-H781 PolarHBondContact OG-N 2.87Å; S778-H781 PolarHBondContact OG-ND1 3.27Å; S778-L782 PolarHBondContact O-N 3.06Å; S778-L782 VanDerWaalsContact O-N 3.12Å
779P92.4Very high88.8Confident0 Ų039.5 Ų39.50%023%0.227CC..Hα-helixtrans-55.4-33.1172.5-25.835.9000112.8L745 L746 A749 L782 A783 L795L745-P779 HydrophobicContact CD2-CG 4Å; L745-P779 HydrophobicContact CG-CB 4.28Å; L745-P779 HydrophobicContact CG-CG 3.92Å; L746-P779 HydrophobicContact CD1-CG 3.78Å; L746-P779 HydrophobicContact CG-CG 4.13Å; A749-P779 HydrophobicContact CB-CB 4.24Å; P779-L782 PolarHBondContact O-N 2.72Å; P779-A783 WeakPolarHBondContact O-CB 3.45Å; P779-A783 PolarHBondContact O-N 2.87Å; P779-L795 VanDerWaalsContact C-CD1 3.48Å; P779-L795 HydrophobicContact CB-CD1 3.69Å; P779-L795 HydrophobicContact CB-CD2 3.7Å; P779-L795 HydrophobicContact CB-CG 4.37Å; P779-L795 WeakPolarHBondContact O-CD1 3.31Å
780L93.7Very high89.1Confident3 Ų340.3 Ų40.32%0.01623%0.232CC..Hα-helixtrans-70.9-38.8178.7-169.772.1000112S778 L782 A784 L792 L795 V796 A800 D801 L802 A812 L828S778-L780 PolarHBondContact O-N 3.02Å; S778-L780 PolarHBondContact OG-N 3.04Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L780-A784 VanDerWaalsContact O-CB 3.28Å; L780-A784 WeakPolarHBondContact O-CB 3.34Å; L780-A784 PolarHBondContact O-N 3.22Å; L780-L792 HydrophobicContact CD1-CD1 4.29Å; L780-L792 HydrophobicContact CD1-CG 3.91Å; L780-L795 HydrophobicContact CD1-CB 4.16Å; L780-V796 HydrophobicContact CD1-CG2 3.87Å; L780-A800 HydrophobicContact CB-CB 4.33Å; L780-A800 HydrophobicContact CD1-CB 4.44Å; L780-A800 HydrophobicContact CD2-CB 4.28Å; L780-D801 WeakPolarHBondContact CD2-O 3.24Å; L780-L802 HydrophobicContact CD2-CD2 4.08Å; L780-A812 HydrophobicContact CD2-CB 3.85Å; L780-A812 HydrophobicContact CG-CB 3.82Å; L780-L828 HydrophobicContact CD1-CD2 4.42Å; L780-L828 HydrophobicContact CD2-CD2 4.35Å
781H92.7Very high89.4Confident3 Ų338 Ų381%0.01422%0.22CC..Hα-helixtrans-60.3-44.5172-68.8137.7000111.3S778 A784 H785 A804 N810 A812 Y815S778-H781 PolarHBondContact N-ND1 2.82Å; S778-H781 WeakPolarHBondContact O-CB 3.23Å; S778-H781 PolarHBondContact O-N 2.72Å; S778-H781 VanDerWaalsContact O-N 3.11Å; S778-H781 PolarHBondContact OG-N 2.87Å; S778-H781 PolarHBondContact OG-ND1 3.27Å; H781-A784 PolarHBondContact O-N 3.13Å; H781-H785 WeakPolarHBondContact O-CB 3.46Å; H781-H785 PolarHBondContact O-N 3.25Å; H781-A804 PolarHBondContact NE2-O 3.31Å; H781-N810 PolarHBondContact NE2-O 3.08Å; H781-A812 PolarHBondContact CD2-N 2.83Å; H781-A812 PolarHBondContact NE2-N 2.87Å; H781-Y815 HydrophobicContact CB-CD2 4.23Å; H781-Y815 HydrophobicContact CB-CE2 4.41Å; H781-Y815 AromaticContact CD2-CD2 3.92Å
782L92.1Very high89.7Confident41 Ų4135.1 Ų35.122%0.21520%0.204CC..Hα-helixtrans-64.2-49.1178.4-66.1168000112L746 A749 A750 S778 P779 L780 A784 H785 K786L746-L782 HydrophobicContact CB-CD1 4.16Å; L746-L782 HydrophobicContact CD2-CD1 4.41Å; L746-L782 HydrophobicContact CG-CD1 4.15Å; L746-L782 WeakPolarHBondContact O-CD1 3.26Å; A749-L782 HydrophobicContact CB-CB 4.47Å; A750-L782 HydrophobicContact CB-CD1 4.29Å; S778-L782 PolarHBondContact O-N 3.06Å; S778-L782 VanDerWaalsContact O-N 3.12Å; P779-L782 PolarHBondContact O-N 2.72Å; L780-L782 VanDerWaalsContact C-N 3.34Å; L782-A784 VanDerWaalsContact C-N 3.33Å; L782-A784 PolarHBondContact O-N 2.86Å; L782-H785 PolarHBondContact O-N 2.79Å; L782-K786 WeakPolarHBondContact O-CG 3.24Å; L782-K786 PolarHBondContact O-N 3.12Å
783A94.1Very high90.2Very high0 Ų031.4 Ų31.40%018%0.182CC..Hα-helixtrans-61.6-39.1178.200000112.5P779 G787 N788 L791 L792 L795P779-A783 WeakPolarHBondContact O-CB 3.45Å; P779-A783 PolarHBondContact O-N 2.87Å; A783-G787 PolarHBondContact O-N 3.46Å; A783-N788 PolarHBondContact O-N 3.48Å; A783-L791 HydrophobicContact CB-CB 4.08Å; A783-L792 HydrophobicContact CB-CB 3.96Å; A783-L795 HydrophobicContact CB-CD1 4.08Å
784A93.8Very high91.1Very high0 Ų025.7 Ų25.70%016%0.157CC..Hα-helixtrans-66-42174.400000112.6L780 H781 L782 G787 L792 A812 A816 S819L780-A784 VanDerWaalsContact O-CB 3.28Å; L780-A784 WeakPolarHBondContact O-CB 3.34Å; L780-A784 PolarHBondContact O-N 3.22Å; H781-A784 PolarHBondContact O-N 3.13Å; L782-A784 VanDerWaalsContact C-N 3.33Å; L782-A784 PolarHBondContact O-N 2.86Å; A784-G787 PolarHBondContact O-N 2.76Å; A784-G787 VanDerWaalsContact O-N 3.11Å; A784-L792 HydrophobicContact CB-CD1 3.83Å; A784-A812 HydrophobicContact CB-CB 4.12Å; A784-A812 VanDerWaalsContact CB-O 3.31Å; A784-A812 WeakPolarHBondContact CB-O 3.26Å; A784-A816 HydrophobicContact CB-CB 4.18Å; A784-S819 PolarHBondContact O-OG 3.04Å
785H92.4Very high91.9Very high94 Ų9422.4 Ų22.444%0.43512%0.123SC..Hα-helixtrans-67.1-36.7178.4-17833.1000112.6H781 L782 G787 Y815 S819H781-H785 WeakPolarHBondContact O-CB 3.46Å; H781-H785 PolarHBondContact O-N 3.25Å; L782-H785 PolarHBondContact O-N 2.79Å; H785-G787 VanDerWaalsContact C-N 3.27Å; H785-Y815 HydrophobicContact CB-CD1 3.76Å; H785-Y815 HydrophobicContact CB-CG 4.17Å; H785-Y815 AromaticContact CG-CD1 3.89Å; H785-S819 WeakPolarHBondContact O-CB 3.41Å
786K91.7Very high92.5Very high97 Ų9718.3 Ų18.342%0.42210%0.101SC..Hα-helixtrans-73.3-17.6170.9-66.4-58-159.966.80113.7A750 E752 L782 N788A750-K786 PolarHBondContact O-NZ 2.97Å; E752-K786 HydrophobicContact CG-CG 4.33Å; E752-K786 WeakPolarHBondContact OE1-CD 3.46Å; E752-K786 WeakPolarHBondContact OE1-CG 3.47Å; E752-K786 IonicContact OE1-NZ 3.45Å; E752-K786 PolarHBondContact OE1-NZ 3.21Å; L782-K786 WeakPolarHBondContact O-CG 3.24Å; L782-K786 PolarHBondContact O-N 3.12Å; K786-N788 HydrophobicContact CB-CB 4.29Å; K786-N788 PolarHBondContact O-N 2.98Å
787G91.8Very high92.9Very high17 Ų1718 Ų1818%0.1759%0.094CC..THydrogen-bonded Turntrans72.516.3-172.200000113.7A783 A784 H785 V789 S821 C824A783-G787 PolarHBondContact O-N 3.46Å; A784-G787 PolarHBondContact O-N 2.76Å; A784-G787 VanDerWaalsContact O-N 3.11Å; H785-G787 VanDerWaalsContact C-N 3.27Å; G787-V789 PolarHBondContact O-N 3.32Å; G787-V789 VanDerWaalsContact O-N 3.11Å; G787-S821 PolarHBondContact O-OG 2.95Å; G787-C824 PolarHBondContact O-SG 3Å
788N93.6Very high93.2Very high37 Ų3718.9 Ų18.920%0.19810%0.095CC..  trans-82.190.8-174.4-169.3-42.1000111.1E752 A783 K786 V790 L791 L792E752-N788 PolarHBondContact OE2-ND2 3.28Å; A783-N788 PolarHBondContact O-N 3.48Å; K786-N788 HydrophobicContact CB-CB 4.29Å; K786-N788 PolarHBondContact O-N 2.98Å; N788-V790 VanDerWaalsContact C-N 3.26Å; N788-V790 PolarHBondContact O-N 2.84Å; N788-V790 PolarHBondContact OD1-N 3.46Å; N788-L791 HydrophobicContact CB-CB 4.49Å; N788-L791 HydrophobicContact CB-CD1 4.42Å; N788-L791 PolarHBondContact O-N 2.87Å; N788-L791 WeakPolarHBondContact OD1-CG 3.43Å; N788-L791 PolarHBondContact OD1-N 3.37Å; N788-L791 VanDerWaalsContact OD1-N 3.13Å; N788-L792 WeakPolarHBondContact O-CB 3.49Å; N788-L792 PolarHBondContact O-N 2.7Å
789V93.5Very high93.1Very high7 Ų719.4 Ų19.44%0.04210%0.1CC..Hα-helixtrans-56.9-35.9-177.7-178.60000112.8E681 G787 Q793 E823 V827E681-V789 HydrophobicContact CB-CG1 3.98Å; E681-V789 HydrophobicContact CG-CG1 4.14Å; G787-V789 PolarHBondContact O-N 3.32Å; G787-V789 VanDerWaalsContact O-N 3.11Å; V789-Q793 WeakPolarHBondContact O-CB 3.4Å; V789-Q793 PolarHBondContact O-N 2.87Å; V789-E823 HydrophobicContact CG2-CB 3.54Å; V789-E823 WeakPolarHBondContact CG2-OE2 3.47Å; V789-V827 HydrophobicContact CG1-CG2 4.19Å
790V94.9Very high93Very high19 Ų1919.9 Ų19.912%0.11510%0.104CC..Hα-helixtrans-66.6-51.7-177.9173.80000110.5K684 V685 A688 L754 N788 L792 Q793 L794K684-V790 HydrophobicContact CB-CG2 4Å; V685-V790 HydrophobicContact CG2-CB 4.44Å; V685-V790 HydrophobicContact CG2-CG1 4.19Å; V685-V790 HydrophobicContact CG2-CG2 4.46Å; A688-V790 HydrophobicContact CB-CG1 4.02Å; A688-V790 HydrophobicContact CB-CG2 4.11Å; L754-V790 HydrophobicContact CD1-CG1 3.76Å; L754-V790 HydrophobicContact CD2-CG1 4.39Å; N788-V790 VanDerWaalsContact C-N 3.26Å; N788-V790 PolarHBondContact O-N 2.84Å; N788-V790 PolarHBondContact OD1-N 3.46Å; V790-L792 VanDerWaalsContact C-N 3.34Å; V790-L792 PolarHBondContact O-N 3.15Å; V790-Q793 PolarHBondContact O-N 3.05Å; V790-L794 HydrophobicContact CG1-CD1 4.11Å; V790-L794 VanDerWaalsContact O-CG 3.28Å; V790-L794 WeakPolarHBondContact O-CG 3.35Å; V790-L794 PolarHBondContact O-N 2.88Å
791L95.1Very high92.8Very high2 Ų223.3 Ų23.31%0.0112%0.123CC..Hα-helixtrans-64.5-40.8178.1-60.9-178.4000111.2E752 L754 V757 A783 N788 L794 L795E752-L791 HydrophobicContact CB-CD1 4.27Å; E752-L791 HydrophobicContact CG-CD1 4.29Å; L754-L791 HydrophobicContact CB-CD2 4.43Å; L754-L791 HydrophobicContact CD1-CD2 3.7Å; V757-L791 HydrophobicContact CB-CD2 3.98Å; V757-L791 HydrophobicContact CG1-CD2 3.99Å; V757-L791 HydrophobicContact CG2-CD2 4.04Å; A783-L791 HydrophobicContact CB-CB 4.08Å; N788-L791 HydrophobicContact CB-CB 4.49Å; N788-L791 HydrophobicContact CB-CD1 4.42Å; N788-L791 PolarHBondContact O-N 2.87Å; N788-L791 WeakPolarHBondContact OD1-CG 3.43Å; N788-L791 PolarHBondContact OD1-N 3.37Å; N788-L791 VanDerWaalsContact OD1-N 3.13Å; L791-L794 PolarHBondContact O-N 2.86Å; L791-L795 WeakPolarHBondContact O-CB 3.39Å; L791-L795 WeakPolarHBondContact O-CD1 3.25Å; L791-L795 VanDerWaalsContact O-CG 3.23Å; L791-L795 WeakPolarHBondContact O-CG 3.39Å; L791-L795 PolarHBondContact O-N 2.93Å
792L94.8Very high92.6Very high0 Ų024.6 Ų24.60%013%0.129CC..Hα-helixtrans-61.4-47.7176.9-176.3139000111.8L780 A783 A784 N788 V790 L794 L795 V796 C824 V827 L828L780-L792 HydrophobicContact CD1-CD1 4.29Å; L780-L792 HydrophobicContact CD1-CG 3.91Å; A783-L792 HydrophobicContact CB-CB 3.96Å; A784-L792 HydrophobicContact CB-CD1 3.83Å; N788-L792 WeakPolarHBondContact O-CB 3.49Å; N788-L792 PolarHBondContact O-N 2.7Å; V790-L792 VanDerWaalsContact C-N 3.34Å; V790-L792 PolarHBondContact O-N 3.15Å; L792-L794 PolarHBondContact O-N 2.91Å; L792-L795 PolarHBondContact O-N 2.87Å; L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 3.17Å; L792-C824 HydrophobicContact CD1-CB 4.1Å; L792-V827 HydrophobicContact CD2-CB 3.74Å; L792-V827 HydrophobicContact CD2-CG1 3.5Å; L792-V827 VanDerWaalsContact CD2-CG1 3.5Å; L792-V827 HydrophobicContact CD2-CG2 4.45Å; L792-L828 HydrophobicContact CD1-CD1 4.15Å; L792-L828 HydrophobicContact CD1-CD2 4.19Å; L792-L828 HydrophobicContact CD1-CG 4.12Å; L792-L828 HydrophobicContact CD2-CD2 4.25Å; L792-L828 HydrophobicContact CD2-CG 4.22Å; L792-L828 HydrophobicContact CG-CD2 4.46Å
793Q94.2Very high92.4Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-66-37.5-179.5-177.859.9101.500112.1V685 V789 V790 W797V685-Q793 HydrophobicContact CG2-CB 3.99Å; V685-Q793 HydrophobicContact CG2-CG 4.01Å; V789-Q793 WeakPolarHBondContact O-CB 3.4Å; V789-Q793 PolarHBondContact O-N 2.87Å; V790-Q793 PolarHBondContact O-N 3.05Å; Q793-W797 HydrophobicContact CG-CD2 4.15Å; Q793-W797 HydrophobicContact CG-CE3 4.24Å; Q793-W797 HydrophobicContact CG-CH2 3.63Å; Q793-W797 HydrophobicContact CG-CZ2 3.52Å; Q793-W797 HydrophobicContact CG-CZ3 4.01Å; Q793-W797 VanDerWaalsContact NE2-NE1 3.17Å; Q793-W797 PolarHBondContact O-N 3.39Å; Q793-W797 VanDerWaalsContact O-N 3.1Å
794L94.1Very high92.1Very high1 Ų128.1 Ų28.11%0.00515%0.149CC..Hα-helixtrans-62.2-49.5172.2-71.3167.6000111.5V685 I689 L754 V758 L761 V790 L791 L792 V796 W797 Y798V685-L794 HydrophobicContact CG1-CD2 3.94Å; V685-L794 HydrophobicContact CG1-CG 4.26Å; I689-L794 HydrophobicContact CD1-CD1 4.2Å; I689-L794 HydrophobicContact CD1-CD2 4.16Å; L754-L794 HydrophobicContact CD1-CD1 3.73Å; V758-L794 HydrophobicContact CG2-CD1 4.2Å; L761-L794 HydrophobicContact CD1-CB 4.08Å; V790-L794 HydrophobicContact CG1-CD1 4.11Å; V790-L794 VanDerWaalsContact O-CG 3.28Å; V790-L794 WeakPolarHBondContact O-CG 3.35Å; V790-L794 PolarHBondContact O-N 2.88Å; L791-L794 PolarHBondContact O-N 2.86Å; L792-L794 PolarHBondContact O-N 2.91Å; L794-V796 VanDerWaalsContact C-N 3.34Å; L794-V796 PolarHBondContact O-N 3Å; L794-W797 HydrophobicContact CD2-CE3 4.31Å; L794-W797 WeakPolarHBondContact O-CA 3.4Å; L794-W797 WeakPolarHBondContact O-CB 3.5Å; L794-W797 PolarHBondContact O-N 3.22Å; L794-Y798 WeakPolarHBondContact O-CD2 3.34Å; L794-Y798 PolarHBondContact O-N 2.89Å
795L94Very high91.9Very high1 Ų134 Ų341%0.00517%0.172CC..Hα-helixtrans-59.3-43.5-179.7-73.3165.7000112.3L745 L761 V769 P779 L780 A783 L791 L792 W797 Y798 G799 A800L745-L795 HydrophobicContact CD2-CD2 4.3Å; L761-L795 HydrophobicContact CD2-CD2 4.21Å; V769-L795 HydrophobicContact CG1-CD2 4.13Å; P779-L795 VanDerWaalsContact C-CD1 3.48Å; P779-L795 HydrophobicContact CB-CD1 3.69Å; P779-L795 HydrophobicContact CB-CD2 3.7Å; P779-L795 HydrophobicContact CB-CG 4.37Å; P779-L795 WeakPolarHBondContact O-CD1 3.31Å; L780-L795 HydrophobicContact CD1-CB 4.16Å; A783-L795 HydrophobicContact CB-CD1 4.08Å; L791-L795 WeakPolarHBondContact O-CB 3.39Å; L791-L795 WeakPolarHBondContact O-CD1 3.25Å; L791-L795 VanDerWaalsContact O-CG 3.23Å; L791-L795 WeakPolarHBondContact O-CG 3.39Å; L791-L795 PolarHBondContact O-N 2.93Å; L792-L795 PolarHBondContact O-N 2.87Å; L795-W797 VanDerWaalsContact C-N 3.3Å; L795-W797 PolarHBondContact O-N 3.12Å; L795-Y798 PolarHBondContact O-N 2.85Å; L795-G799 PolarHBondContact O-N 2.84Å; L795-G799 VanDerWaalsContact O-N 3.17Å; L795-A800 HydrophobicContact CB-CB 4.11Å; L795-A800 VanDerWaalsContact O-CB 3.23Å; L795-A800 WeakPolarHBondContact O-CB 3.13Å; L795-A800 PolarHBondContact O-N 3.16Å
796V92.8Very high91.8Very high14 Ų1430 Ų309%0.08515%0.153CC..Hα-helixtrans-59.3-40.7173173.20000111.4L780 L792 L794 Y798 G799 L802 Y831L780-V796 HydrophobicContact CD1-CG2 3.87Å; L792-V796 WeakPolarHBondContact O-CG2 3.44Å; L792-V796 PolarHBondContact O-N 3.17Å; L794-V796 VanDerWaalsContact C-N 3.34Å; L794-V796 PolarHBondContact O-N 3Å; V796-Y798 PolarHBondContact O-N 2.81Å; V796-G799 PolarHBondContact O-N 2.88Å; V796-L802 HydrophobicContact CG2-CD2 3.73Å; V796-Y831 HydrophobicContact CG1-CD1 3.73Å; V796-Y831 HydrophobicContact CG1-CD2 3.95Å; V796-Y831 HydrophobicContact CG1-CE1 4.2Å; V796-Y831 HydrophobicContact CG1-CE2 4.41Å; V796-Y831 HydrophobicContact CG1-CG 3.6Å
797W91.7Very high91.7Very high11 Ų1129.1 Ų29.14%0.04216%0.164CC..Hα-helixtrans-69.3-29.8177.9-77.3-15.1000115L646 N647 R669 L682 V685 Q793 L794 L795 G799 Y831L646-W797 HydrophobicContact CB-CH2 3.68Å; L646-W797 HydrophobicContact CB-CZ2 4.17Å; L646-W797 HydrophobicContact CB-CZ3 3.86Å; L646-W797 HydrophobicContact CD1-CH2 4.47Å; L646-W797 HydrophobicContact CD1-CZ2 4.32Å; L646-W797 VanDerWaalsContact O-CZ3 3.31Å; L646-W797 WeakPolarHBondContact O-CZ3 3.19Å; N647-W797 HydrophobicContact CB-CB 4.2Å; N647-W797 HydrophobicContact CB-CD2 4.3Å; N647-W797 HydrophobicContact CB-CE3 3.84Å; N647-W797 HydrophobicContact CB-CG 4.5Å; R669-W797 VanDerWaalsContact CZ-O 3.31Å; R669-W797 PolarHBondContact NH1-O 3.29Å; R669-W797 PolarHBondContact NH2-O 3.38Å; L682-W797 HydrophobicContact CD2-CH2 3.71Å; L682-W797 HydrophobicContact CD2-CZ2 3.42Å; L682-W797 VanDerWaalsContact CD2-CZ2 3.42Å; V685-W797 HydrophobicContact CB-CZ3 4.31Å; V685-W797 HydrophobicContact CG1-CZ3 3.97Å; V685-W797 HydrophobicContact CG2-CH2 4.36Å; V685-W797 HydrophobicContact CG2-CZ3 4.22Å; Q793-W797 HydrophobicContact CG-CD2 4.15Å; Q793-W797 HydrophobicContact CG-CE3 4.24Å; Q793-W797 HydrophobicContact CG-CH2 3.63Å; Q793-W797 HydrophobicContact CG-CZ2 3.52Å; Q793-W797 HydrophobicContact CG-CZ3 4.01Å; Q793-W797 VanDerWaalsContact NE2-NE1 3.17Å; Q793-W797 PolarHBondContact O-N 3.39Å; Q793-W797 VanDerWaalsContact O-N 3.1Å; L794-W797 HydrophobicContact CD2-CE3 4.31Å; L794-W797 WeakPolarHBondContact O-CA 3.4Å; L794-W797 WeakPolarHBondContact O-CB 3.5Å; L794-W797 PolarHBondContact O-N 3.22Å; L795-W797 VanDerWaalsContact C-N 3.3Å; L795-W797 PolarHBondContact O-N 3.12Å; W797-G799 VanDerWaalsContact C-N 3.27Å; W797-Y831 AromaticContact NE1-CZ 3.71Å; W797-Y831 PolarHBondContact NE1-OH 3.02Å
798Y91.5Very high91.5Very high47 Ų4734.4 Ų34.418%0.18418%0.184CC..THydrogen-bonded Turntrans-86.73.3173.6-78.8-103000113.1N647 L761 L794 L795 V796N647-Y798 HydrophobicContact CB-CE2 4.19Å; N647-Y798 WeakPolarHBondContact O-CE2 3.37Å; N647-Y798 PolarHBondContact O-OH 3.05Å; L761-Y798 HydrophobicContact CB-CD1 3.87Å; L761-Y798 HydrophobicContact CB-CD2 4.32Å; L761-Y798 HydrophobicContact CB-CE1 3.86Å; L761-Y798 HydrophobicContact CB-CE2 4.31Å; L761-Y798 HydrophobicContact CB-CG 4.12Å; L761-Y798 HydrophobicContact CD1-CD2 3.92Å; L761-Y798 HydrophobicContact CD1-CE2 4.3Å; L761-Y798 HydrophobicContact CD1-CG 4.17Å; L761-Y798 HydrophobicContact CD2-CD1 4.29Å; L761-Y798 HydrophobicContact CD2-CG 4.04Å; L761-Y798 HydrophobicContact CG-CG 4.34Å; L761-Y798 VanDerWaalsContact O-CE1 3.23Å; L761-Y798 WeakPolarHBondContact O-CE1 3.12Å; L794-Y798 WeakPolarHBondContact O-CD2 3.34Å; L794-Y798 PolarHBondContact O-N 2.89Å; L795-Y798 PolarHBondContact O-N 2.85Å; V796-Y798 PolarHBondContact O-N 2.81Å
799G89.4Confident91.2Very high14 Ų1434 Ų3414%0.14419%0.189CC..THydrogen-bonded Turntrans9428.5167.100000115.3R766 N770 L795 V796 W797R766-G799 PolarHBondContact NE-O 3.17Å; N770-G799 PolarHBondContact ND2-O 3.37Å; N770-G799 VanDerWaalsContact ND2-O 3.08Å; L795-G799 PolarHBondContact O-N 2.84Å; L795-G799 VanDerWaalsContact O-N 3.17Å; V796-G799 PolarHBondContact O-N 2.88Å; W797-G799 VanDerWaalsContact C-N 3.27Å
800A91.3Very high91Very high9 Ų936.5 Ų36.57%0.07420%0.202CC..  trans-55145.1165.800000111.8V769 N770 L780 L795V769-A800 HydrophobicContact CG1-CB 4Å; N770-A800 VanDerWaalsContact OD1-CA 3.3Å; N770-A800 WeakPolarHBondContact OD1-CA 3.47Å; L780-A800 HydrophobicContact CB-CB 4.33Å; L780-A800 HydrophobicContact CD1-CB 4.44Å; L780-A800 HydrophobicContact CD2-CB 4.28Å; L795-A800 HydrophobicContact CB-CB 4.11Å; L795-A800 VanDerWaalsContact O-CB 3.23Å; L795-A800 WeakPolarHBondContact O-CB 3.13Å; L795-A800 PolarHBondContact O-N 3.16Å
801D89.1Confident90.9Very high76 Ų7636.3 Ų36.341%0.40620%0.201SC..  trans-84.6115.9179.7-17613000111N770 L780 M803 A804N770-D801 PolarHBondContact OD1-N 3.1Å; L780-D801 WeakPolarHBondContact CD2-O 3.24Å; D801-M803 VanDerWaalsContact C-N 3.25Å; D801-M803 PolarHBondContact O-N 3.02Å; D801-M803 WeakPolarHBondContact OD1-CB 3.25Å; D801-M803 PolarHBondContact OD1-N 2.89Å; D801-A804 HydrophobicContact CB-CB 4.23Å; D801-A804 WeakPolarHBondContact O-CB 3.29Å; D801-A804 PolarHBondContact O-N 2.74Å
802L89.3Confident90.8Very high29 Ų2936.3 Ų36.315%0.15220%0.201CC..THydrogen-bonded Turntrans-70.8-21.3176.6-58173.9000112.6L780 V796 L828 Y831L780-L802 HydrophobicContact CD2-CD2 4.08Å; V796-L802 HydrophobicContact CG2-CD2 3.73Å; L802-L828 HydrophobicContact CD2-CD2 3.64Å; L802-Y831 WeakPolarHBondContact CD1-O 3.28Å
803M87.3Confident90.6Very high93 Ų9336.9 Ų36.946%0.45820%0.204SC..THydrogen-bonded Turntrans-91.6-7.5-179.2-57.1-61.599.600113.1D801 G832 A834D801-M803 VanDerWaalsContact C-N 3.25Å; D801-M803 PolarHBondContact O-N 3.02Å; D801-M803 WeakPolarHBondContact OD1-CB 3.25Å; D801-M803 PolarHBondContact OD1-N 2.89Å; M803-G832 WeakPolarHBondContact CE-O 3.27Å; M803-A834 HydrophobicContact CE-CB 4Å; M803-A834 HydrophobicContact SD-CB 3.87Å
804A87.9Confident90.4Very high22 Ų2238.5 Ų38.518%0.18222%0.218CC..  trans-55.2144.9178.700000110.9H781 D801 S811H781-A804 PolarHBondContact NE2-O 3.31Å; D801-A804 HydrophobicContact CB-CB 4.23Å; D801-A804 WeakPolarHBondContact O-CB 3.29Å; D801-A804 PolarHBondContact O-N 2.74Å; A804-S811 WeakPolarHBondContact O-CA 3.24Å; A804-S811 WeakPolarHBondContact O-CB 3.25Å
805R90.3Very high90.3Very high124 Ų12439.7 Ų39.747%0.46822%0.222SC..BIsolated β-bridgetrans-125.7145.6172.9-66.1179.6-174-107.45.6109.8G809 N810 E836R805-G809 WeakPolarHBondContact CD-O 3.38Å; R805-G809 PolarHBondContact NH1-O 2.65Å; R805-N810 VanDerWaalsContact CA-O 3.24Å; R805-N810 WeakPolarHBondContact CA-O 3.48Å; R805-E836 IonicContact CZ-OE1 3.97Å; R805-E836 IonicContact CZ-OE2 3.78Å; R805-E836 IonicContact NH1-OE1 3.36Å; R805-E836 IonicContact NH1-OE2 3.77Å; R805-E836 PolarHBondContact NH1-OE2 2.91Å; R805-E836 IonicContact NH2-OE1 2.79Å; R805-E836 PolarHBondContact NH2-OE1 2.86Å; R805-E836 IonicContact NH2-OE2 3.53Å; R805-E836 PolarHBondContact NH2-OE2 3.38Å; R805-E836 VanDerWaalsContact NH2-OE2 3.08Å
806D89.9Confident90.3Very high10 Ų1039.6 Ų39.65%0.05322%0.222CC..  trans-77-179.4168.682.4-24.7000111.4D775 H808 G809 N810 Y815D775-D806 WeakPolarHBondContact O-CB 3.42Å; D806-H808 PolarHBondContact O-N 2.85Å; D806-H808 WeakPolarHBondContact OD1-CA 3.36Å; D806-H808 WeakPolarHBondContact OD1-CB 3.24Å; D806-H808 PolarHBondContact OD1-N 3.05Å; D806-H808 WeakPolarHBondContact OD2-CB 3.43Å; D806-H808 IonicContact OD2-CE1 2.76Å; D806-H808 IonicContact OD2-CG 3.08Å; D806-H808 IonicContact OD2-ND1 3.76Å; D806-H808 PolarHBondContact OD2-ND1 3.32Å; D806-G809 PolarHBondContact O-N 2.8Å; D806-G809 PolarHBondContact OD1-N 2.85Å; D806-N810 PolarHBondContact N-O 2.81Å; D806-N810 WeakPolarHBondContact OD1-CA 3.46Å; D806-N810 WeakPolarHBondContact OD1-CB 3.29Å; D806-N810 PolarHBondContact OD1-N 3.23Å; D806-Y815 PolarHBondContact OD2-OH 2.67Å
807A89.3Confident90.2Very high78 Ų7843.2 Ų43.265%0.64523%0.234SC*.THydrogen-bonded Turntrans-66.1-17.4177.700000113.7D775 G809D775-A807 HydrophobicContact CB-CB 4.28Å; D775-A807 VanDerWaalsContact O-CB 3.26Å; D775-A807 WeakPolarHBondContact O-CB 3.34Å; D775-A807 PolarHBondContact O-N 3.16Å; A807-G809 VanDerWaalsContact C-N 3.34Å
808H86.8Confident90.2Very high128 Ų12849 Ų4959%0.59326%0.262SS*.THydrogen-bonded Turntrans-86.4-5.3172.7-5097.9000112.6D806 N810D806-H808 PolarHBondContact O-N 2.85Å; D806-H808 WeakPolarHBondContact OD1-CA 3.36Å; D806-H808 WeakPolarHBondContact OD1-CB 3.24Å; D806-H808 PolarHBondContact OD1-N 3.05Å; D806-H808 WeakPolarHBondContact OD2-CB 3.43Å; D806-H808 IonicContact OD2-CE1 2.76Å; D806-H808 IonicContact OD2-CG 3.08Å; D806-H808 IonicContact OD2-ND1 3.76Å; D806-H808 PolarHBondContact OD2-ND1 3.32Å; H808-N810 VanDerWaalsContact C-N 3.34Å; H808-N810 WeakPolarHBondContact CB-ND2 3.34Å
809G88.1Confident90.1Very high29 Ų2948.7 Ų48.730%0.29927%0.266SS..SBendtrans83.33.9-177.200000114.7R805 D806 A807R805-G809 WeakPolarHBondContact CD-O 3.38Å; R805-G809 PolarHBondContact NH1-O 2.65Å; D806-G809 PolarHBondContact O-N 2.8Å; D806-G809 PolarHBondContact OD1-N 2.85Å; A807-G809 VanDerWaalsContact C-N 3.34Å
810N90Very high90.1Very high60 Ų6053 Ų5332%0.32129%0.294SS..  trans-76.4139.4177.8-64.7-53.6000110.8H781 R805 D806 H808 A814 Y815H781-N810 PolarHBondContact NE2-O 3.08Å; R805-N810 VanDerWaalsContact CA-O 3.24Å; R805-N810 WeakPolarHBondContact CA-O 3.48Å; D806-N810 PolarHBondContact N-O 2.81Å; D806-N810 WeakPolarHBondContact OD1-CA 3.46Å; D806-N810 WeakPolarHBondContact OD1-CB 3.29Å; D806-N810 PolarHBondContact OD1-N 3.23Å; H808-N810 VanDerWaalsContact C-N 3.34Å; H808-N810 WeakPolarHBondContact CB-ND2 3.34Å; N810-A814 HydrophobicContact CB-CB 4.17Å; N810-Y815 HydrophobicContact CB-CD2 4.15Å; N810-Y815 HydrophobicContact CB-CE2 3.6Å
811S92.1Very high90Very high14 Ų1453.6 Ų53.610%0.09830%0.298CS..BIsolated β-bridgetrans-99.3170.916967.90000111.7A804 M813 A814 Y815A804-S811 WeakPolarHBondContact O-CA 3.24Å; A804-S811 WeakPolarHBondContact O-CB 3.25Å; S811-M813 PolarHBondContact O-N 2.76Å; S811-M813 VanDerWaalsContact O-N 3.13Å; S811-A814 WeakPolarHBondContact O-CB 3.35Å; S811-A814 PolarHBondContact O-N 3.47Å; S811-Y815 PolarHBondContact O-N 2.99Å
812A92.2Very high90Very high2 Ų255.5 Ų55.52%0.01730%0.304CS..Hα-helixtrans-55.3-31.7174.400000112.8L780 H781 A784 A814 Y815 A816 L828L780-A812 HydrophobicContact CD2-CB 3.85Å; L780-A812 HydrophobicContact CG-CB 3.82Å; H781-A812 PolarHBondContact CD2-N 2.83Å; H781-A812 PolarHBondContact NE2-N 2.87Å; A784-A812 HydrophobicContact CB-CB 4.12Å; A784-A812 VanDerWaalsContact CB-O 3.31Å; A784-A812 WeakPolarHBondContact CB-O 3.26Å; A812-A814 VanDerWaalsContact C-N 3.33Å; A812-A814 PolarHBondContact O-N 3.26Å; A812-Y815 PolarHBondContact O-N 3.39Å; A812-A816 WeakPolarHBondContact O-CB 3.43Å; A812-A816 PolarHBondContact O-N 3.08Å; A812-L828 VanDerWaalsContact C-CD1 3.48Å; A812-L828 HydrophobicContact CB-CD1 3.89Å; A812-L828 HydrophobicContact CB-CD2 4.16Å; A812-L828 WeakPolarHBondContact O-CD1 3.27Å
813M91.5Very high89.9Confident12 Ų1257.2 Ų57.26%0.05931%0.311CS..Hα-helixtrans-65.9-33.5175.3-176.662.977.100112.4S811 R817 V825 L828 A829S811-M813 PolarHBondContact O-N 2.76Å; S811-M813 VanDerWaalsContact O-N 3.13Å; M813-R817 WeakPolarHBondContact O-CD 3.2Å; M813-R817 VanDerWaalsContact O-CG 3.25Å; M813-R817 WeakPolarHBondContact O-CG 3.14Å; M813-R817 PolarHBondContact O-N 2.77Å; M813-V825 HydrophobicContact SD-CB 4.4Å; M813-V825 HydrophobicContact SD-CG1 3.9Å; M813-V825 HydrophobicContact SD-CG2 4.35Å; M813-L828 HydrophobicContact CE-CB 3.63Å; M813-L828 HydrophobicContact SD-CB 4.45Å; M813-A829 HydrophobicContact CE-CB 4.23Å
814A91Very high90Very high34 Ų3452.8 Ų52.828%0.28129%0.29SS..Hα-helixtrans-69.2-45.7174.200000111N810 S811 A812 R817 Q818N810-A814 HydrophobicContact CB-CB 4.17Å; S811-A814 WeakPolarHBondContact O-CB 3.35Å; S811-A814 PolarHBondContact O-N 3.47Å; A812-A814 VanDerWaalsContact C-N 3.33Å; A812-A814 PolarHBondContact O-N 3.26Å; A814-R817 PolarHBondContact O-N 2.99Å; A814-Q818 PolarHBondContact O-N 3.08Å
815Y91.7Very high90.2Very high26 Ų2652.8 Ų52.810%0.10229%0.287CS..Hα-helixtrans-64.7-39.6177.9-79.5-68.9000113.7H781 H785 D806 N810 S811 A812 R817 Q818 S819H781-Y815 HydrophobicContact CB-CD2 4.23Å; H781-Y815 HydrophobicContact CB-CE2 4.41Å; H781-Y815 AromaticContact CD2-CD2 3.92Å; H785-Y815 HydrophobicContact CB-CD1 3.76Å; H785-Y815 HydrophobicContact CB-CG 4.17Å; H785-Y815 AromaticContact CG-CD1 3.89Å; D806-Y815 PolarHBondContact OD2-OH 2.67Å; N810-Y815 HydrophobicContact CB-CD2 4.15Å; N810-Y815 HydrophobicContact CB-CE2 3.6Å; S811-Y815 PolarHBondContact O-N 2.99Å; A812-Y815 PolarHBondContact O-N 3.39Å; Y815-R817 VanDerWaalsContact C-N 3.3Å; Y815-R817 PolarHBondContact O-N 3.03Å; Y815-Q818 PolarHBondContact O-N 2.9Å; Y815-S819 PolarHBondContact O-N 2.79Å; Y815-S819 PolarHBondContact O-OG 2.86Å
816A93Very high90.1Very high0 Ų051.4 Ų51.40%029%0.286CS..Hα-helixtrans-63.6-34.7174.500000112.7A784 A812 S819 S820 S821 C824 V825 L828A784-A816 HydrophobicContact CB-CB 4.18Å; A812-A816 WeakPolarHBondContact O-CB 3.43Å; A812-A816 PolarHBondContact O-N 3.08Å; A816-S819 PolarHBondContact O-OG 2.81Å; A816-S819 VanDerWaalsContact O-OG 3.1Å; A816-S820 PolarHBondContact O-N 2.99Å; A816-S821 PolarHBondContact O-N 2.81Å; A816-S821 VanDerWaalsContact O-N 3.12Å; A816-C824 HydrophobicContact CB-CB 3.73Å; A816-V825 HydrophobicContact CB-CG2 3.75Å; A816-L828 HydrophobicContact CB-CD1 3.93Å
817R91Very high90Very high90 Ų9051 Ų5134%0.3428%0.284SS..Hα-helixtrans-72.8-37.7173.3-71.9169.8174.3179.2-4.1111.9M813 A814 Y815 S820 V825 D835M813-R817 WeakPolarHBondContact O-CD 3.2Å; M813-R817 VanDerWaalsContact O-CG 3.25Å; M813-R817 WeakPolarHBondContact O-CG 3.14Å; M813-R817 PolarHBondContact O-N 2.77Å; A814-R817 PolarHBondContact O-N 2.99Å; Y815-R817 VanDerWaalsContact C-N 3.3Å; Y815-R817 PolarHBondContact O-N 3.03Å; R817-S820 PolarHBondContact O-N 3.39Å; R817-V825 HydrophobicContact CG-CG2 3.71Å; R817-D835 IonicContact CZ-OD1 3.8Å; R817-D835 VanDerWaalsContact CZ-OD1 3.23Å; R817-D835 IonicContact NH1-OD1 2.67Å; R817-D835 PolarHBondContact NH1-OD1 3.03Å; R817-D835 VanDerWaalsContact NH2-CG 3.31Å; R817-D835 IonicContact NH2-OD1 3.61Å; R817-D835 PolarHBondContact NH2-OD1 3.09Å; R817-D835 IonicContact NH2-OD2 2.76Å
818Q90.9Very high90.1Very high133 Ų13347.4 Ų47.462%0.62125%0.254SS*.Hα-helixtrans-66.4-39.3176.5-170.2-175.915.100112.1A814 Y815 S820A814-Q818 PolarHBondContact O-N 3.08Å; Y815-Q818 PolarHBondContact O-N 2.9Å; Q818-S820 PolarHBondContact O-N 3.13Å
819S89.3Confident90.1Very high39 Ų3944 Ų4427%0.27325%0.247SC..THydrogen-bonded Turntrans-74.5-3.4174.865.60000113.8A784 H785 Y815 A816 S821A784-S819 PolarHBondContact O-OG 3.04Å; H785-S819 WeakPolarHBondContact O-CB 3.41Å; Y815-S819 PolarHBondContact O-N 2.79Å; Y815-S819 PolarHBondContact O-OG 2.86Å; A816-S819 PolarHBondContact O-OG 2.81Å; A816-S819 VanDerWaalsContact O-OG 3.1Å; S819-S821 PolarHBondContact O-N 3.04Å; S819-S821 VanDerWaalsContact O-N 3.16Å
820S89.8Confident89.9Confident105 Ų10548.3 Ų48.373%0.73426%0.26SS*.THydrogen-bonded Turntrans56.320-173.5-55.80000114.4A816 R817 Q818 Q822A816-S820 PolarHBondContact O-N 2.99Å; R817-S820 PolarHBondContact O-N 3.39Å; Q818-S820 PolarHBondContact O-N 3.13Å; S820-Q822 PolarHBondContact O-N 2.79Å; S820-Q822 VanDerWaalsContact O-N 3.09Å
821S89.8Confident89.5Confident21 Ų2149.7 Ų49.715%0.14726%0.261CS..  trans-81.990.1177.8-176.40000110.6G787 A816 S819 E823 C824 V825G787-S821 PolarHBondContact O-OG 2.95Å; A816-S821 PolarHBondContact O-N 2.81Å; A816-S821 VanDerWaalsContact O-N 3.12Å; S819-S821 PolarHBondContact O-N 3.04Å; S819-S821 VanDerWaalsContact O-N 3.16Å; S821-E823 PolarHBondContact O-N 3.39Å; S821-C824 PolarHBondContact O-N 3.47Å; S821-C824 VanDerWaalsContact O-N 3.16Å; S821-C824 PolarHBondContact OG-N 3Å; S821-C824 PolarHBondContact OG-SG 2.97Å; S821-V825 PolarHBondContact O-N 3.19Å; S821-V825 VanDerWaalsContact O-N 3.09Å
822Q88.1Confident88.5Confident116 Ų11651.4 Ų51.454%0.54228%0.281SS..Hα-helixtrans-54.8-38.3176.9-179.161.422.900112S820 V825 E826S820-Q822 PolarHBondContact O-N 2.79Å; S820-Q822 VanDerWaalsContact O-N 3.09Å; Q822-V825 WeakPolarHBondContact O-CB 3.46Å; Q822-V825 PolarHBondContact O-N 3.13Å; Q822-E826 WeakPolarHBondContact CG-OE1 3.41Å; Q822-E826 PolarHBondContact NE2-OE1 3.16Å; Q822-E826 WeakPolarHBondContact O-CG 3.18Å; Q822-E826 PolarHBondContact O-N 3.04Å
823E87.4Confident87.1Confident66 Ų6652 Ų5231%0.30829%0.287SS..Hα-helixtrans-65.4-41.5178.5-58.9177.4161.800111.9K684 V789 S821 V825 E826 V827K684-E823 IonicContact NZ-OE1 2.64Å; K684-E823 PolarHBondContact NZ-OE1 3.19Å; K684-E823 IonicContact NZ-OE2 2.69Å; K684-E823 PolarHBondContact NZ-OE2 2.9Å; V789-E823 HydrophobicContact CG2-CB 3.54Å; V789-E823 WeakPolarHBondContact CG2-OE2 3.47Å; S821-E823 PolarHBondContact O-N 3.39Å; E823-V825 VanDerWaalsContact C-N 3.32Å; E823-V825 PolarHBondContact O-N 3Å; E823-E826 PolarHBondContact O-N 3.28Å; E823-V827 WeakPolarHBondContact O-CG2 3.43Å; E823-V827 PolarHBondContact O-N 2.93Å
824C90.8Very high85.2Confident0 Ų053.9 Ų53.90%031%0.305CS..Hα-helixtrans-64.4-36.5172.8-75.20000112G787 L792 A816 S821 L828G787-C824 PolarHBondContact O-SG 3Å; L792-C824 HydrophobicContact CD1-CB 4.1Å; A816-C824 HydrophobicContact CB-CB 3.73Å; S821-C824 PolarHBondContact O-N 3.47Å; S821-C824 VanDerWaalsContact O-N 3.16Å; S821-C824 PolarHBondContact OG-N 3Å; S821-C824 PolarHBondContact OG-SG 2.97Å; C824-L828 WeakPolarHBondContact O-CB 3.49Å; C824-L828 WeakPolarHBondContact O-CG 3.34Å; C824-L828 PolarHBondContact O-N 3.39Å
825V90.6Very high83.1Confident21 Ų2155.2 Ų55.213%0.12731%0.307CS..Hα-helixtrans-64.2-40.9174.1171.20000111.1M813 A816 R817 S821 Q822 E823 A829M813-V825 HydrophobicContact SD-CB 4.4Å; M813-V825 HydrophobicContact SD-CG1 3.9Å; M813-V825 HydrophobicContact SD-CG2 4.35Å; A816-V825 HydrophobicContact CB-CG2 3.75Å; R817-V825 HydrophobicContact CG-CG2 3.71Å; S821-V825 PolarHBondContact O-N 3.19Å; S821-V825 VanDerWaalsContact O-N 3.09Å; Q822-V825 WeakPolarHBondContact O-CB 3.46Å; Q822-V825 PolarHBondContact O-N 3.13Å; E823-V825 VanDerWaalsContact C-N 3.32Å; E823-V825 PolarHBondContact O-N 3Å; V825-A829 VanDerWaalsContact O-CB 3.27Å; V825-A829 WeakPolarHBondContact O-CB 3.33Å; V825-A829 PolarHBondContact O-N 3.46Å
826E88.7Confident81.2Confident96 Ų9658.6 Ų58.645%0.44932%0.324SS..Hα-helixtrans-68.8-42.8179.5-75.1171.6-176.700112.4Q822 E823 A829 Q830Q822-E826 WeakPolarHBondContact CG-OE1 3.41Å; Q822-E826 PolarHBondContact NE2-OE1 3.16Å; Q822-E826 WeakPolarHBondContact O-CG 3.18Å; Q822-E826 PolarHBondContact O-N 3.04Å; E823-E826 PolarHBondContact O-N 3.28Å; E826-A829 PolarHBondContact O-N 3.47Å; E826-Q830 WeakPolarHBondContact O-CB 3.46Å; E826-Q830 PolarHBondContact O-N 2.89Å
827V88.9Confident78.8Confident1 Ų167.6 Ų67.61%0.00636%0.358CS..Hα-helixtrans-60.4-51.5171.2177.50000110.9E681 V789 L792 E823 A829 Q830 Y831E681-V827 HydrophobicContact CB-CG2 4.02Å; E681-V827 HydrophobicContact CG-CG2 3.62Å; V789-V827 HydrophobicContact CG1-CG2 4.19Å; L792-V827 HydrophobicContact CD2-CB 3.74Å; L792-V827 HydrophobicContact CD2-CG1 3.5Å; L792-V827 VanDerWaalsContact CD2-CG1 3.5Å; L792-V827 HydrophobicContact CD2-CG2 4.45Å; E823-V827 WeakPolarHBondContact O-CG2 3.43Å; E823-V827 PolarHBondContact O-N 2.93Å; V827-A829 VanDerWaalsContact C-N 3.26Å; V827-A829 PolarHBondContact O-N 3.41Å; V827-Q830 PolarHBondContact O-N 3.06Å; V827-Q830 VanDerWaalsContact O-N 3.14Å; V827-Y831 HydrophobicContact CG1-CD2 4.02Å; V827-Y831 HydrophobicContact CG1-CE2 4.11Å; V827-Y831 WeakPolarHBondContact O-CD2 3.34Å; V827-Y831 PolarHBondContact O-N 3.11Å
828L90Very high76.3Confident2 Ų272.8 Ų72.81%0.0138%0.379CS..Hα-helixtrans-60.8-37.6-178.3-69.9172.8000111.5L780 L792 L802 A812 M813 A816 C824 G832 G833L780-L828 HydrophobicContact CD1-CD2 4.42Å; L780-L828 HydrophobicContact CD2-CD2 4.35Å; L792-L828 HydrophobicContact CD1-CD1 4.15Å; L792-L828 HydrophobicContact CD1-CD2 4.19Å; L792-L828 HydrophobicContact CD1-CG 4.12Å; L792-L828 HydrophobicContact CD2-CD2 4.25Å; L792-L828 HydrophobicContact CD2-CG 4.22Å; L792-L828 HydrophobicContact CG-CD2 4.46Å; L802-L828 HydrophobicContact CD2-CD2 3.64Å; A812-L828 VanDerWaalsContact C-CD1 3.48Å; A812-L828 HydrophobicContact CB-CD1 3.89Å; A812-L828 HydrophobicContact CB-CD2 4.16Å; A812-L828 WeakPolarHBondContact O-CD1 3.27Å; M813-L828 HydrophobicContact CE-CB 3.63Å; M813-L828 HydrophobicContact SD-CB 4.45Å; A816-L828 HydrophobicContact CB-CD1 3.93Å; C824-L828 WeakPolarHBondContact O-CB 3.49Å; C824-L828 WeakPolarHBondContact O-CG 3.34Å; C824-L828 PolarHBondContact O-N 3.39Å; L828-G832 PolarHBondContact O-N 3.08Å; L828-G833 WeakPolarHBondContact O-CA 3.4Å; L828-G833 PolarHBondContact O-N 2.56Å
829A87.1Confident73.5Confident56 Ų5669.3 Ų69.346%0.46337%0.373SS..Hα-helixtrans-66.4-43.4174.800000112.4M813 V825 E826 V827 Y831 G832M813-A829 HydrophobicContact CE-CB 4.23Å; V825-A829 VanDerWaalsContact O-CB 3.27Å; V825-A829 WeakPolarHBondContact O-CB 3.33Å; V825-A829 PolarHBondContact O-N 3.46Å; E826-A829 PolarHBondContact O-N 3.47Å; V827-A829 VanDerWaalsContact C-N 3.26Å; V827-A829 PolarHBondContact O-N 3.41Å; A829-Y831 VanDerWaalsContact C-N 3.32Å; A829-Y831 PolarHBondContact O-N 3.02Å; A829-G832 PolarHBondContact O-N 3.45Å; A829-G832 VanDerWaalsContact O-N 3.12Å
830Q84.9Confident70.9Confident120 Ų12075.3 Ų75.356%0.56140%0.401SS*.Hα-helixtrans-58.4-40.3-179.4-173.8-173.155.800112.7E826 V827E826-Q830 WeakPolarHBondContact O-CB 3.46Å; E826-Q830 PolarHBondContact O-N 2.89Å; V827-Q830 PolarHBondContact O-N 3.06Å; V827-Q830 VanDerWaalsContact O-N 3.14Å
831Y80.6Confident68.1Low90 Ų9078.8 Ų78.835%0.35341%0.408SS..THydrogen-bonded Turntrans-893.2-179.8-67.8-94.7000113.8V796 W797 L802 V827 A829V796-Y831 HydrophobicContact CG1-CD1 3.73Å; V796-Y831 HydrophobicContact CG1-CD2 3.95Å; V796-Y831 HydrophobicContact CG1-CE1 4.2Å; V796-Y831 HydrophobicContact CG1-CE2 4.41Å; V796-Y831 HydrophobicContact CG1-CG 3.6Å; W797-Y831 AromaticContact NE1-CZ 3.71Å; W797-Y831 PolarHBondContact NE1-OH 3.02Å; L802-Y831 WeakPolarHBondContact CD1-O 3.28Å; V827-Y831 HydrophobicContact CG1-CD2 4.02Å; V827-Y831 HydrophobicContact CG1-CE2 4.11Å; V827-Y831 WeakPolarHBondContact O-CD2 3.34Å; V827-Y831 PolarHBondContact O-N 3.11Å; A829-Y831 VanDerWaalsContact C-N 3.32Å; A829-Y831 PolarHBondContact O-N 3.02Å
832G70.3Confident65.2Low50 Ų5083.9 Ų83.952%0.51544%0.438SS..THydrogen-bonded Turntrans100.221.117100000116.4M803 L828 A829 A834M803-G832 WeakPolarHBondContact CE-O 3.27Å; L828-G832 PolarHBondContact O-N 3.08Å; A829-G832 PolarHBondContact O-N 3.45Å; A829-G832 VanDerWaalsContact O-N 3.12Å; G832-A834 PolarHBondContact O-N 3.3Å
833G63.9Low62.4Low13 Ų1384 Ų8413%0.13445%0.447CS..  trans-58.8120172.100000112.1L828L828-G833 WeakPolarHBondContact O-CA 3.4Å; L828-G833 PolarHBondContact O-N 2.56Å
834A52.3Low59.8Low53 Ų5386.6 Ų86.644%0.43847%0.47SS..  trans-70.5134.1-168.900000112.5M803 G832 E836M803-A834 HydrophobicContact CE-CB 4Å; M803-A834 HydrophobicContact SD-CB 3.87Å; G832-A834 PolarHBondContact O-N 3.3Å; A834-E836 PolarHBondContact O-N 3.23Å
835D46.5Very low56.7Low61 Ų6194.5 Ų94.533%0.32651%0.512SS..  trans-89.3104175.6-16820.2000111.5R817 R837 Y838R817-D835 IonicContact CZ-OD1 3.8Å; R817-D835 VanDerWaalsContact CZ-OD1 3.23Å; R817-D835 IonicContact NH1-OD1 2.67Å; R817-D835 PolarHBondContact NH1-OD1 3.03Å; R817-D835 VanDerWaalsContact NH2-CG 3.31Å; R817-D835 IonicContact NH2-OD1 3.61Å; R817-D835 PolarHBondContact NH2-OD1 3.09Å; R817-D835 IonicContact NH2-OD2 2.76Å; D835-R837 PolarHBondContact O-N 3.4Å; D835-R837 WeakPolarHBondContact OD1-CG 2.99Å; D835-Y838 PolarHBondContact O-N 3.49Å
836E50.7Low53.8Low97 Ų97101 Ų10145%0.45355%0.545SS..G310 helixtrans-53.1-15.8177.5-71.4-88.784.700114.3R805 A834 Y838 A839R805-E836 IonicContact CZ-OE1 3.97Å; R805-E836 IonicContact CZ-OE2 3.78Å; R805-E836 IonicContact NH1-OE1 3.36Å; R805-E836 IonicContact NH1-OE2 3.77Å; R805-E836 PolarHBondContact NH1-OE2 2.91Å; R805-E836 IonicContact NH2-OE1 2.79Å; R805-E836 PolarHBondContact NH2-OE1 2.86Å; R805-E836 IonicContact NH2-OE2 3.53Å; R805-E836 PolarHBondContact NH2-OE2 3.38Å; R805-E836 VanDerWaalsContact NH2-OE2 3.08Å; A834-E836 PolarHBondContact O-N 3.23Å; E836-Y838 PolarHBondContact O-N 2.95Å; E836-Y838 VanDerWaalsContact O-N 3.12Å; E836-A839 PolarHBondContact O-N 3.35Å
837R42.3Very low50.9Low190 Ų190102.1 Ų102.172%0.71756%0.561SS**G310 helixtrans-61.6-15.6176.5-64.9-178.3179.7-159.40.9114.3D835D835-R837 PolarHBondContact O-N 3.4Å; D835-R837 WeakPolarHBondContact OD1-CG 2.99Å
838Y39.6Very low48.1Very low198 Ų198113.7 Ų113.778%0.77660%0.604SS**G310 helixtrans-120.312.9-178.8-74.9-80.4000115.1D835 E836 L840D835-Y838 PolarHBondContact O-N 3.49Å; E836-Y838 PolarHBondContact O-N 2.95Å; E836-Y838 VanDerWaalsContact O-N 3.12Å; Y838-L840 PolarHBondContact O-N 3.13Å
839A31.3Very low45.1Very low60 Ų60125 Ų12550%0.49665%0.647SS.*THydrogen-bonded Turntrans-69.511.5-173.400000116.5E836E836-A839 PolarHBondContact O-N 3.35Å
840L36.1Very low42.3Very low165 Ų165130 Ų13086%0.86467%0.666SS**THydrogen-bonded Turntrans-133.641.7-178.7-75.8178.4000114.8Y838Y838-L840 PolarHBondContact O-N 3.13Å
841M30.6Very low39.7Very low179 Ų179128.5 Ų128.588%0.88267%0.674SS**  trans-131.143.1157.5-79.3-150.1168.400113.9T843M841-T843 PolarHBondContact O-N 2.94Å; M841-T843 VanDerWaalsContact O-N 3.11Å
842T28.6Very low37.1Very low127 Ų127131.9 Ų131.978%0.77970%0.698SS**  trans-69.198.1156.550.90000109.6
843T29.3Very low35.2Very low120 Ų120141.3 Ų141.374%0.73672%0.718SS**  trans-67.2144.8168.246.10000110.2M841 N845M841-T843 PolarHBondContact O-N 2.94Å; M841-T843 VanDerWaalsContact O-N 3.11Å; T843-N845 PolarHBondContact O-N 3.2Å
844P31.8Very low33.6Very low120 Ų120148.1 Ų148.178%0.77975%0.751SS**  trans-67.7131.5-171.1-21.633.9000112.8L846P844-L846 PolarHBondContact O-N 2.65Å
845N26.8Very low32.6Very low165 Ų165153.2 Ų153.288%0.88277%0.771SS**  trans-67.495.7169-91.4-56.9000110.2T843T843-N845 PolarHBondContact O-N 3.2Å
846L29.3Very low31.8Very low159 Ų159156.4 Ų156.483%0.83280%0.798SS**  trans-62122.1166.7-81164.9000109.3P844 R848P844-L846 PolarHBondContact O-N 2.65Å; L846-R848 PolarHBondContact O-N 3.36Å
847P28.5Very low30.7Very low118 Ų118157.7 Ų157.777%0.76682%0.817SS**  trans-67.1120.2-171.825.3-33.8000111R849P847-R849 PolarHBondContact O-N 2.99Å
848R29.3Very low30.1Very low244 Ų244153.8 Ų153.892%0.92182%0.819SS**  trans-76.491-176.4-149.2175.4-166.1173.25110.5L846 N850L846-R848 PolarHBondContact O-N 3.36Å; R848-N850 PolarHBondContact O-N 2.92Å
849R27.8Very low29.8Very low239 Ų239148.8 Ų148.890%0.90281%0.813SS**  trans-48.6100.8178.8-169.8179.1-170.3173.93.1112.1P847P847-R849 PolarHBondContact O-N 2.99Å
850N28Very low29.9Very low163 Ų163154.4 Ų154.487%0.87283%0.833SS**  trans-66.7138.5170.6-98.9-16.2000110.1R848R848-N850 PolarHBondContact O-N 2.92Å
851A29.3Very low29.7Very low87 Ų87149.9 Ų149.972%0.71983%0.826SS**  trans-122.9143.6173.500000109.9
852N27.9Very low29.9Very low161 Ų161147.2 Ų147.286%0.86183%0.826SS**  trans7087-178.3-64.71.4000117.5
853R30.1Very low30.4Very low248 Ų248146 Ų14694%0.93683%0.829SS**  -141.4155.1127.3-114.2177.4177.6-173.3-2.4110.1
854N29.7Very low31Very low157 Ų157148.6 Ų148.684%0.8486%0.862SS**  trans-73.1162.9-150.8-62.4-7.8000116.6
855N30.4Very low31Very low159 Ų159150 Ų15085%0.8587%0.866SS**  trans-32.1137.6167.6-61.2-10.8000116.4
856S30.1Very low31.2Very low129 Ų129149.2 Ų149.290%0.90287%0.865SS**  trans-149151.6138.9-78.10000108.2
857C27.4Very low31.3Very low124 Ų124148.7 Ų148.784%0.83887%0.867SS**  trans-109.5178.6-167.6-161.70000112.3
858S31.1Very low31.5Very low108 Ų108150.5 Ų150.576%0.75587%0.873SS**  trans75.1149.3172.276.70000117.8
859S31.8Very low31.6Very low93 Ų93144.6 Ų144.665%0.6587%0.87SS**  cis-170.4152.4-30.350.90000110.7
860L34.2Very low31.8Very low177 Ų177138.3 Ų138.393%0.92787%0.867SS**  trans66.4154.9165.7-58.2149.1000115.6
861G32Very low32.1Very low70 Ų70136.6 Ų136.672%0.72287%0.867SS**  cis-150.8-178-0.400000112.4
862S35.4Very low32.3Very low124 Ų124140.4 Ų140.487%0.86788%0.878SS**  trans-106.4170-164.6-530000115.3
863A37.6Very low32.7Very low102 Ų102138.7 Ų138.784%0.84388%0.88SS**  trans77.8150.1161.600000117.1
864A43Very low33Very low173 Ų173128.7 Ų128.7100%1.4388%0.875SS**  cis-128.302.500000111.9

Retrieved 864 of 864 residues in 397.5 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).