A0A087X3V0_POEFO Loading...

Calcium/calmodulin-dependent protein kinase IGb

AlphaFold DB , UniProt , Accession A0A087X3V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35Very low52Low243 Ų243128.2 Ų128.2100%1.19768%0.68SS**  0129.60-68.2171.3173.800107.6
2G38.5Very low55.1Low78 Ų78124.5 Ų124.580%0.80465%0.654SS**  trans-70.4140.9176.800000110.9
3R40.7Very low57.8Low242 Ų242124.5 Ų124.591%0.91366%0.655SS**  trans-73132.1160.5-73.5-178.7174.2174.7-2107E5R3-E5 PolarHBondContact O-N 3.33Å; R3-E5 VanDerWaalsContact O-N 3.12Å
4Q41.1Very low60Low193 Ų193117.1 Ų117.190%0.90262%0.617SS**  trans-66.5110.9169.9-72.6171.2-3900108.1G6Q4-G6 VanDerWaalsContact C-N 3.33Å; Q4-G6 PolarHBondContact O-N 3.31Å; Q4-G6 VanDerWaalsContact O-N 3.09Å
5E42.3Very low61.9Low186 Ų186119.4 Ų119.487%0.86962%0.623SS**  trans-68.1100.3157-66.7-172.5121.100106R3 D7R3-E5 PolarHBondContact O-N 3.33Å; R3-E5 VanDerWaalsContact O-N 3.12Å; E5-D7 PolarHBondContact O-N 3.18Å; E5-D7 VanDerWaalsContact O-N 3.13Å
6G46.1Very low63.7Low54 Ų54115.3 Ų115.356%0.55760%0.602SS**  trans-64.3112.5173.600000108.3Q4 Y8Q4-G6 VanDerWaalsContact C-N 3.33Å; Q4-G6 PolarHBondContact O-N 3.31Å; Q4-G6 VanDerWaalsContact O-N 3.09Å; G6-Y8 WeakPolarHBondContact O-CD2 3.13Å; G6-Y8 PolarHBondContact O-N 2.88Å; G6-Y8 VanDerWaalsContact O-N 3.11Å
7D47.4Very low65.5Low148 Ų148109 Ų10979%0.79157%0.569SS**  trans-54.6116.4-167.2-114.4-42.3000112.1E5 A9E5-D7 PolarHBondContact O-N 3.18Å; E5-D7 VanDerWaalsContact O-N 3.13Å; D7-A9 HydrophobicContact CB-CB 4.46Å; D7-A9 PolarHBondContact O-N 3.13Å
8Y60.3Low67.1Low99 Ų99109.3 Ų109.339%0.38857%0.567SS.*  trans-77.346.7171.7-72.7-94.8000110G6 W10 K11 E63G6-Y8 WeakPolarHBondContact O-CD2 3.13Å; G6-Y8 PolarHBondContact O-N 2.88Å; G6-Y8 VanDerWaalsContact O-N 3.11Å; Y8-W10 AromaticContact CD1-CE2 3.88Å; Y8-W10 HydrophobicContact CD1-CH2 4.49Å; Y8-W10 AromaticContact CD1-CZ2 3.64Å; Y8-W10 HydrophobicContact CD1-CZ2 3.64Å; Y8-W10 AromaticContact CD1-NE1 3.91Å; Y8-W10 HydrophobicContact CE1-CZ2 4.02Å; Y8-W10 PolarHBondContact O-N 3.12Å; Y8-K11 HydrophobicContact CD1-CD 4.44Å; Y8-K11 WeakPolarHBondContact O-CB 3.44Å; Y8-K11 PolarHBondContact O-N 3.15Å; Y8-E63 HydrophobicContact CE1-CB 4.43Å
9A63.9Low68.6Low92 Ų92110.9 Ų110.976%0.7657%0.572SS**THydrogen-bonded Turntrans-61-11.7-176.100000114.1D7D7-A9 HydrophobicContact CB-CB 4.46Å; D7-A9 PolarHBondContact O-N 3.13Å
10W74.7Confident70Confident52 Ų52107.6 Ų107.620%0.19756%0.555CS.*THydrogen-bonded Turntrans-87-8.3172.159.3-93.2000114.5Y8 I66 A67 R70 F83Y8-W10 AromaticContact CD1-CE2 3.88Å; Y8-W10 HydrophobicContact CD1-CH2 4.49Å; Y8-W10 AromaticContact CD1-CZ2 3.64Å; Y8-W10 HydrophobicContact CD1-CZ2 3.64Å; Y8-W10 AromaticContact CD1-NE1 3.91Å; Y8-W10 HydrophobicContact CE1-CZ2 4.02Å; Y8-W10 PolarHBondContact O-N 3.12Å; W10-I66 HydrophobicContact CH2-CB 4.3Å; W10-I66 HydrophobicContact CH2-CG2 3.77Å; W10-I66 HydrophobicContact CZ3-CG2 3.54Å; W10-A67 HydrophobicContact CH2-CB 4.44Å; W10-A67 HydrophobicContact CZ2-CB 3.99Å; W10-R70 VanDerWaalsContact CB-NH1 3.34Å; W10-R70 VanDerWaalsContact CE3-CD 3.44Å; W10-F83 HydrophobicContact CE3-CB 4.39Å; W10-F83 HydrophobicContact CE3-CD1 4.19Å; W10-F83 HydrophobicContact CZ3-CB 4.31Å; W10-F83 AromaticContact CZ3-CD1 3.64Å; W10-F83 HydrophobicContact CZ3-CD1 3.64Å; W10-F83 HydrophobicContact CZ3-CE1 4.21Å; W10-F83 HydrophobicContact CZ3-CG 4.05Å
11K81.8Confident71.3Confident23 Ų23102.6 Ų102.610%0.153%0.529CS..  trans-99.899.2-170.6-160.9-173.4-168.4-160.40109.9Y8 N13 E63 F83 E85Y8-K11 HydrophobicContact CD1-CD 4.44Å; Y8-K11 WeakPolarHBondContact O-CB 3.44Å; Y8-K11 PolarHBondContact O-N 3.15Å; K11-N13 PolarHBondContact O-N 3.32Å; K11-E63 IonicContact NZ-OE1 3.88Å; K11-E63 PolarHBondContact NZ-OE1 2.88Å; K11-F83 HydrophobicContact CD-CE1 4.48Å; K11-F83 HydrophobicContact CG-CD1 3.87Å; K11-F83 HydrophobicContact CG-CE1 3.77Å; K11-E85 WeakPolarHBondContact CE-OE2 3.18Å; K11-E85 IonicContact NZ-OE1 3.77Å; K11-E85 PolarHBondContact NZ-OE1 3.48Å; K11-E85 IonicContact NZ-OE2 2.76Å; K11-E85 PolarHBondContact NZ-OE2 2.99Å
12K89.6Confident74.3Confident84 Ų8493.9 Ų93.937%0.36549%0.485SS..EExtended strand (participates in β ladder)trans-82.5104.3-172.9-64.8177178.71710111.2D82 F83 Y84 E85K12-D82 WeakPolarHBondContact CD-OD1 3.26Å; K12-D82 WeakPolarHBondContact CE-OD1 3.36Å; K12-D82 IonicContact NZ-OD1 3.57Å; K12-D82 PolarHBondContact NZ-OD1 2.75Å; K12-D82 IonicContact NZ-OD2 3.67Å; K12-D82 PolarHBondContact NZ-OD2 2.85Å; K12-F83 WeakPolarHBondContact CB-O 3.46Å; K12-F83 PolarHBondContact N-O 2.61Å; K12-Y84 HydrophobicContact CB-CD1 3.44Å; K12-Y84 VanDerWaalsContact CB-CD1 3.44Å; K12-Y84 HydrophobicContact CB-CE1 3.55Å; K12-Y84 HydrophobicContact CB-CG 4.03Å; K12-Y84 HydrophobicContact CD-CD1 4.29Å; K12-Y84 HydrophobicContact CD-CE1 3.61Å; K12-Y84 HydrophobicContact CD-CE2 4.02Å; K12-Y84 VanDerWaalsContact CD-CZ 3.45Å; K12-Y84 HydrophobicContact CG-CE1 4.21Å; K12-Y84 CarbonylContact O-C 3.55Å; K12-Y84 WeakPolarHBondContact O-CA 3.33Å; K12-E85 PolarHBondContact O-N 2.88Å
13N89.4Confident77Confident125 Ų12593.3 Ų93.367%0.66846%0.461SS*.EExtended strand (participates in β ladder)trans-67.2137.5172-71.9-64000110.9K11 E85K11-N13 PolarHBondContact O-N 3.32Å; N13-E85 CarbonylContact C-O 3.49Å; N13-E85 WeakPolarHBondContact CA-O 3.29Å; N13-E85 PolarHBondContact OD1-OE2 2.87Å
14T89.7Confident79.6Confident21 Ų2185.2 Ų85.213%0.12944%0.435CS..  trans-142.2141.4170.5-176.90000111.2N16 I17 Y84 E85 S86 Y91T14-N16 VanDerWaalsContact OG1-C 3.25Å; T14-N16 PolarHBondContact OG1-N 3.11Å; T14-N16 PolarHBondContact OG1-O 2.61Å; T14-I17 HydrophobicContact CG2-CB 4.39Å; T14-I17 HydrophobicContact CG2-CD1 4.09Å; T14-Y84 HydrophobicContact CG2-CD1 4.26Å; T14-E85 PolarHBondContact N-O 2.61Å; T14-S86 VanDerWaalsContact O-CA 3.3Å; T14-S86 WeakPolarHBondContact O-CA 3.17Å; T14-S86 VanDerWaalsContact O-CB 3.32Å; T14-S86 WeakPolarHBondContact O-CB 3.41Å; T14-Y91 HydrophobicContact CG2-CE2 4.4Å
15E88.3Confident82.1Confident151 Ų15180.8 Ų80.871%0.70641%0.414SS*.SBendtrans-82-31.5170.9-56.5-124.7103.700111R87E15-R87 IonicContact OE1-CZ 3.87Å; E15-R87 VanDerWaalsContact OE1-CZ 3.27Å; E15-R87 IonicContact OE1-NE 2.71Å; E15-R87 PolarHBondContact OE1-NE 2.77Å; E15-R87 VanDerWaalsContact OE1-NE 3.1Å; E15-R87 IonicContact OE1-NH2 2.69Å; E15-R87 PolarHBondContact OE1-NH2 2.77Å; E15-R87 IonicContact OE2-NH2 2.71Å
16N90.8Very high84.4Confident53 Ų5377 Ų7728%0.28340%0.397SS..  trans-141.5113.7179.9-176.57.9000111.2T14 Q18 E19T14-N16 VanDerWaalsContact OG1-C 3.25Å; T14-N16 PolarHBondContact OG1-N 3.11Å; T14-N16 PolarHBondContact OG1-O 2.61Å; N16-Q18 VanDerWaalsContact C-N 3.28Å; N16-Q18 PolarHBondContact O-N 2.86Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.35Å; N16-Q18 PolarHBondContact OD1-N 3.19Å; N16-E19 HydrophobicContact CB-CG 4.4Å; N16-E19 VanDerWaalsContact CB-OE1 3.29Å; N16-E19 WeakPolarHBondContact CB-OE1 3.46Å; N16-E19 PolarHBondContact ND2-OE1 2.66Å
17I94.7Very high86.2Confident9 Ų978.4 Ų78.45%0.04639%0.391CS..G310 helixtrans-70.5-23.8178.8-166.165.5000112.6T14 E19 I20 F21 F23 M49 Y84 Y91T14-I17 HydrophobicContact CG2-CB 4.39Å; T14-I17 HydrophobicContact CG2-CD1 4.09Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 3.1Å; I17-I20 VanDerWaalsContact O-N 3.11Å; I17-F21 HydrophobicContact CD1-CD2 3.76Å; I17-F21 HydrophobicContact CD1-CE2 4.11Å; I17-F21 HydrophobicContact CG1-CD2 4.11Å; I17-F21 PolarHBondContact O-N 3.06Å; I17-F23 HydrophobicContact CG2-CE2 4Å; I17-F23 HydrophobicContact CG2-CZ 3.95Å; I17-M49 HydrophobicContact CD1-CE 3.9Å; I17-M49 HydrophobicContact CG1-CE 3.46Å; I17-M49 VanDerWaalsContact CG1-CE 3.46Å; I17-M49 HydrophobicContact CG1-SD 3.89Å; I17-Y84 HydrophobicContact CD1-CD1 4.31Å; I17-Y84 HydrophobicContact CD1-CD2 4.38Å; I17-Y84 HydrophobicContact CD1-CG 3.96Å; I17-Y91 HydrophobicContact CB-CD1 4.42Å; I17-Y91 HydrophobicContact CB-CD2 4.33Å; I17-Y91 HydrophobicContact CB-CE1 4.14Å; I17-Y91 HydrophobicContact CB-CE2 4.04Å; I17-Y91 HydrophobicContact CD1-CD2 3.99Å; I17-Y91 HydrophobicContact CD1-CE2 4.48Å; I17-Y91 HydrophobicContact CD1-CG 4.09Å; I17-Y91 HydrophobicContact CG1-CD1 4.08Å; I17-Y91 HydrophobicContact CG1-CD2 4.13Å; I17-Y91 HydrophobicContact CG1-CE1 4.31Å; I17-Y91 HydrophobicContact CG1-CE2 4.34Å; I17-Y91 HydrophobicContact CG1-CG 3.99Å; I17-Y91 HydrophobicContact CG2-CD1 4.29Å; I17-Y91 HydrophobicContact CG2-CE1 3.73Å; I17-Y91 HydrophobicContact CG2-CE2 4.42Å
18Q94.3Very high87.7Confident115 Ų11572.9 Ų72.954%0.53737%0.368SS..G310 helixtrans-74.1-15.8-175.5-60-179.3-16.800114N16 I20 F21 F23 R41N16-Q18 VanDerWaalsContact C-N 3.28Å; N16-Q18 PolarHBondContact O-N 2.86Å; N16-Q18 WeakPolarHBondContact OD1-CB 3.35Å; N16-Q18 PolarHBondContact OD1-N 3.19Å; Q18-I20 VanDerWaalsContact C-N 3.33Å; Q18-F21 CarbonylContact C-O 3.57Å; Q18-F21 VanDerWaalsContact CA-O 3.31Å; Q18-F21 WeakPolarHBondContact CA-O 3.4Å; Q18-F21 VanDerWaalsContact O-O 3.06Å; Q18-F23 HydrophobicContact CG-CD2 4.2Å; Q18-F23 HydrophobicContact CG-CE2 3.95Å; Q18-R41 PolarHBondContact O-NE 3.35Å; Q18-R41 PolarHBondContact O-NH2 2.84Å
19E94.5Very high88.3Confident140 Ų14072 Ų7265%0.65438%0.376SS*.G310 helixtrans-76.6-22.2171.1-76.2160.9-140.300112.2N16 I17N16-E19 HydrophobicContact CB-CG 4.4Å; N16-E19 VanDerWaalsContact CB-OE1 3.29Å; N16-E19 WeakPolarHBondContact CB-OE1 3.46Å; N16-E19 PolarHBondContact ND2-OE1 2.66Å; I17-E19 VanDerWaalsContact C-N 3.28Å; I17-E19 PolarHBondContact O-N 2.83Å
20I96.1Very high88.4Confident44 Ų4469.4 Ų69.423%0.22636%0.359CS..THydrogen-bonded Turntrans-97.9-40.4179.6-48.6-178.1000110.1I17 Q18 R41 Y84I17-I20 PolarHBondContact O-N 3.1Å; I17-I20 VanDerWaalsContact O-N 3.11Å; Q18-I20 VanDerWaalsContact C-N 3.33Å; I20-R41 PolarHBondContact O-N 2.83Å; I20-Y84 HydrophobicContact CD1-CD1 3.85Å; I20-Y84 HydrophobicContact CD1-CE1 3.45Å; I20-Y84 VanDerWaalsContact CD1-CE1 3.45Å; I20-Y84 HydrophobicContact CG2-CE1 4.42Å
21F97.6Very high87.7Confident2 Ų271.4 Ų71.41%0.00939%0.387CS..EExtended strand (participates in β ladder)trans-123.9137-175.4-67.7-84.6000112.6I17 Q18 V38 R39 E40 F47 M49 Y84 I93I17-F21 HydrophobicContact CD1-CD2 3.76Å; I17-F21 HydrophobicContact CD1-CE2 4.11Å; I17-F21 HydrophobicContact CG1-CD2 4.11Å; I17-F21 PolarHBondContact O-N 3.06Å; Q18-F21 CarbonylContact C-O 3.57Å; Q18-F21 VanDerWaalsContact CA-O 3.31Å; Q18-F21 WeakPolarHBondContact CA-O 3.4Å; Q18-F21 VanDerWaalsContact O-O 3.06Å; F21-V38 HydrophobicContact CB-CB 4.17Å; F21-V38 HydrophobicContact CB-CG2 4.48Å; F21-V38 HydrophobicContact CD1-CB 4.11Å; F21-V38 HydrophobicContact CD1-CG2 3.61Å; F21-V38 HydrophobicContact CE1-CG2 4.18Å; F21-V38 HydrophobicContact CG-CB 4.48Å; F21-V38 HydrophobicContact CG-CG2 4.26Å; F21-R39 CarbonylContact C-O 3.53Å; F21-R39 WeakPolarHBondContact CA-O 3.41Å; F21-E40 HydrophobicContact CD1-CB 4.06Å; F21-E40 HydrophobicContact CE1-CB 3.75Å; F21-E40 HydrophobicContact CE1-CG 4.15Å; F21-E40 HydrophobicContact CZ-CG 4.49Å; F21-F47 HydrophobicContact CE1-CD2 4.01Å; F21-F47 HydrophobicContact CE1-CE2 4.38Å; F21-M49 HydrophobicContact CB-CE 3.74Å; F21-M49 HydrophobicContact CD1-CE 4.16Å; F21-M49 HydrophobicContact CD2-CE 3.38Å; F21-M49 HydrophobicContact CE2-CE 3.99Å; F21-M49 HydrophobicContact CG-CE 3.48Å; F21-M49 VanDerWaalsContact CG-CE 3.48Å; F21-Y84 HydrophobicContact CE2-CD2 4.19Å; F21-Y84 AromaticContact CE2-CE2 3.77Å; F21-Y84 HydrophobicContact CE2-CE2 3.77Å; F21-Y84 HydrophobicContact CZ-CE2 4.14Å; F21-I93 HydrophobicContact CD2-CD1 4.38Å; F21-I93 HydrophobicContact CE1-CD1 4.26Å; F21-I93 HydrophobicContact CE1-CG2 4.28Å; F21-I93 HydrophobicContact CE2-CD1 3.71Å; F21-I93 HydrophobicContact CE2-CG1 4.21Å; F21-I93 HydrophobicContact CZ-CD1 3.65Å; F21-I93 HydrophobicContact CZ-CG1 3.87Å; F21-I93 HydrophobicContact CZ-CG2 4.13Å
22E97.6Very high87Confident61 Ų6177 Ų7729%0.28541%0.411SS..EExtended strand (participates in β ladder)trans-86.7126.4164.6179.3162-93.300109.5I24 V38 R39 R41E22-I24 HydrophobicContact CG-CG1 4.33Å; E22-V38 CarbonylContact O-C 3.54Å; E22-V38 WeakPolarHBondContact O-CA 3.2Å; E22-V38 WeakPolarHBondContact O-CB 3.2Å; E22-R39 HydrophobicContact CB-CB 4.25Å; E22-R39 PolarHBondContact N-O 2.9Å; E22-R39 PolarHBondContact O-N 2.87Å; E22-R39 IonicContact OE2-CZ 3.92Å; E22-R39 IonicContact OE2-NH1 2.77Å; E22-R39 PolarHBondContact OE2-NH1 2.86Å; E22-R41 HydrophobicContact CB-CG 4.43Å; E22-R41 IonicContact OE1-CZ 3.83Å; E22-R41 IonicContact OE1-NH1 2.88Å; E22-R41 PolarHBondContact OE1-NH1 3.43Å
23F96.5Very high86.4Confident66 Ų6674.6 Ų74.629%0.28941%0.405SS..EExtended strand (participates in β ladder)trans-86.4132.8174.7-73.2-112.7000108.7I17 Q18 Y36 V38 M49I17-F23 HydrophobicContact CG2-CE2 4Å; I17-F23 HydrophobicContact CG2-CZ 3.95Å; Q18-F23 HydrophobicContact CG-CD2 4.2Å; Q18-F23 HydrophobicContact CG-CE2 3.95Å; F23-Y36 HydrophobicContact CD1-CD1 4.07Å; F23-Y36 AromaticContact CD1-CD2 3.91Å; F23-Y36 HydrophobicContact CD1-CD2 3.91Å; F23-Y36 AromaticContact CD1-CG 3.63Å; F23-Y36 HydrophobicContact CD1-CG 3.63Å; F23-Y36 AromaticContact CE1-CD2 3.67Å; F23-Y36 HydrophobicContact CE1-CD2 3.67Å; F23-Y36 HydrophobicContact CE1-CE2 4.32Å; F23-Y36 AromaticContact CE1-CG 3.87Å; F23-Y36 HydrophobicContact CE1-CG 3.87Å; F23-V38 HydrophobicContact CD1-CG1 4.14Å; F23-V38 HydrophobicContact CD2-CG1 4.45Å; F23-V38 HydrophobicContact CE1-CG1 4.3Å; F23-V38 HydrophobicContact CG-CG1 4.21Å; F23-M49 HydrophobicContact CE1-SD 4.06Å; F23-M49 HydrophobicContact CE2-SD 4.35Å; F23-M49 HydrophobicContact CZ-CE 4.36Å; F23-M49 HydrophobicContact CZ-SD 3.55Å; F23-M49 VanDerWaalsContact CZ-SD 3.55Å
24I95.6Very high86.3Confident71 Ų7172.4 Ų72.436%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-116-54.6-173-62.8172000111.1E22 M37 R39 M46E22-I24 HydrophobicContact CG-CG1 4.33Å; I24-M37 HydrophobicContact CB-CE 4.19Å; I24-M37 HydrophobicContact CG2-CE 3.68Å; I24-M37 PolarHBondContact N-O 3.26Å; I24-R39 HydrophobicContact CD1-CB 3.76Å; I24-M46 HydrophobicContact CD1-CE 3.64Å; I24-M46 HydrophobicContact CD1-SD 3.88Å
25E92.9Very high86.2Confident100 Ų10072.8 Ų72.847%0.46739%0.393SS..EExtended strand (participates in β ladder)trans-147161.5176.282.8-161.5153.500111.8L27 Y36 M37E25-L27 HydrophobicContact CG-CD2 4.02Å; E25-Y36 CarbonylContact O-C 3.58Å; E25-Y36 VanDerWaalsContact O-CA 3.28Å; E25-Y36 WeakPolarHBondContact O-CA 3.48Å; E25-M37 HydrophobicContact CG-CB 3.91Å; E25-M37 HydrophobicContact CG-CE 4.11Å; E25-M37 PolarHBondContact O-N 3.28Å; E25-M37 WeakPolarHBondContact OE1-CE 3.37Å
26E91.6Very high86.5Confident108 Ų10867.7 Ų67.751%0.50537%0.368SS..EExtended strand (participates in β ladder)trans-88.6120.3171.1-168.4173.7128.200109.3S29 Y36E26-S29 VanDerWaalsContact OE1-CB 3.29Å; E26-S29 WeakPolarHBondContact OE1-CB 3.32Å; E26-Y36 HydrophobicContact CB-CD1 3.93Å; E26-Y36 HydrophobicContact CB-CE1 3.68Å; E26-Y36 HydrophobicContact CG-CD1 4.15Å; E26-Y36 HydrophobicContact CG-CE1 3.69Å; E26-Y36 PolarHBondContact OE2-OH 2.89Å
27L83.8Confident86.6Confident83 Ų8366.5 Ų66.544%0.43536%0.361SS..EExtended strand (participates in β ladder)trans-88.8-19.7177.7-63.1174.2000112.1E25 V35 M37 A48 L96E25-L27 HydrophobicContact CG-CD2 4.02Å; L27-V35 HydrophobicContact CB-CB 4.44Å; L27-V35 HydrophobicContact CB-CG1 4.17Å; L27-V35 HydrophobicContact CD1-CG1 4.34Å; L27-V35 PolarHBondContact N-O 2.82Å; L27-M37 HydrophobicContact CD1-CB 3.99Å; L27-M37 HydrophobicContact CD2-CB 4.23Å; L27-M37 HydrophobicContact CG-CB 4.08Å; L27-A48 HydrophobicContact CD1-CB 4.13Å; L27-L96 HydrophobicContact CD1-CD1 3.89Å
28G77.6Confident86.7Confident31 Ų3166 Ų6632%0.3236%0.359SS..EExtended strand (participates in β ladder)trans169.2160.4173.200000113.3V35G28-V35 PolarHBondContact N-O 2.97Å; G28-V35 PolarHBondContact O-N 2.71Å
29S74.1Confident86.9Confident80 Ų8065.1 Ų65.156%0.55935%0.35SS*.EExtended strand (participates in β ladder)trans-139145.2-179.6-178.90000112E26E26-S29 VanDerWaalsContact OE1-CB 3.29Å; E26-S29 WeakPolarHBondContact OE1-CB 3.32Å
30G65.4Low87Confident39 Ų3960.2 Ų60.240%0.40233%0.327SS..EExtended strand (participates in β ladder)trans-145.7169.3177.600000111.4F32 S33G30-F32 PolarHBondContact O-N 2.95Å; G30-S33 PolarHBondContact N-O 3.09Å; G30-S33 PolarHBondContact O-N 3.11Å; G30-S33 VanDerWaalsContact O-N 3.11Å; G30-S33 VanDerWaalsContact O-O 3.11Å
31A60.5Low87.1Confident94 Ų9464.3 Ų64.378%0.77734%0.34SS*.THydrogen-bonded Turntrans-52.2-22.9-163.400000117.2
32F66.9Low87Confident139 Ų13973.4 Ų73.461%0.6138%0.379SS*.THydrogen-bonded Turntrans-136.25.7179.3-53.8-70.5000114.4G30 K53 A168G30-F32 PolarHBondContact O-N 2.95Å; F32-K53 PolarHBondContact O-N 3.48Å; F32-A168 HydrophobicContact CD2-CB 4.46Å; F32-A168 HydrophobicContact CE2-CB 4.35Å
33S77.6Confident86.9Confident34 Ų3474.7 Ų74.724%0.23839%0.392CS..EExtended strand (participates in β ladder)trans-154.6140.1-177.260.10000113.1G30 C51G30-S33 PolarHBondContact N-O 3.09Å; G30-S33 PolarHBondContact O-N 3.11Å; G30-S33 VanDerWaalsContact O-N 3.11Å; G30-S33 VanDerWaalsContact O-O 3.11Å; S33-C51 CarbonylContact C-O 3.59Å; S33-C51 WeakPolarHBondContact CA-O 3.44Å; S33-C51 VanDerWaalsContact CB-O 3.24Å; S33-C51 WeakPolarHBondContact CB-O 3.38Å
34E86Confident86.8Confident79 Ų7973.6 Ų73.637%0.36940%0.399SS..EExtended strand (participates in β ladder)trans-116.8147.5177-64.6149.7164.400108.6Y36 K50 C51E34-Y36 HydrophobicContact CB-CD2 4.26Å; E34-Y36 HydrophobicContact CB-CE2 3.47Å; E34-Y36 VanDerWaalsContact CB-CE2 3.47Å; E34-Y36 HydrophobicContact CG-CE2 4.4Å; E34-K50 CarbonylContact O-C 3.26Å; E34-C51 HydrophobicContact CB-CB 4.42Å; E34-C51 PolarHBondContact N-O 2.95Å; E34-C51 PolarHBondContact O-N 3.11Å
35V88.7Confident86.9Confident29 Ų2974.7 Ų74.718%0.17640%0.401CS..EExtended strand (participates in β ladder)trans-121.5123.7178.1-172.10000108.8L27 G28 A48 M49 K50L27-V35 HydrophobicContact CB-CB 4.44Å; L27-V35 HydrophobicContact CB-CG1 4.17Å; L27-V35 HydrophobicContact CD1-CG1 4.34Å; L27-V35 PolarHBondContact N-O 2.82Å; G28-V35 PolarHBondContact N-O 2.97Å; G28-V35 PolarHBondContact O-N 2.71Å; V35-A48 HydrophobicContact CG1-CB 4.38Å; V35-M49 WeakPolarHBondContact CA-O 3.5Å; V35-K50 HydrophobicContact CG2-CB 4.29Å; V35-K50 HydrophobicContact CG2-CD 4.4Å; V35-K50 HydrophobicContact CG2-CG 4.05Å
36Y93.2Very high87Confident44 Ų4472.8 Ų72.817%0.17339%0.393CS..EExtended strand (participates in β ladder)trans-120.3142.7-178.7-66.2-79.8000111.3F23 E25 E26 E34 M49F23-Y36 HydrophobicContact CD1-CD1 4.07Å; F23-Y36 AromaticContact CD1-CD2 3.91Å; F23-Y36 HydrophobicContact CD1-CD2 3.91Å; F23-Y36 AromaticContact CD1-CG 3.63Å; F23-Y36 HydrophobicContact CD1-CG 3.63Å; F23-Y36 AromaticContact CE1-CD2 3.67Å; F23-Y36 HydrophobicContact CE1-CD2 3.67Å; F23-Y36 HydrophobicContact CE1-CE2 4.32Å; F23-Y36 AromaticContact CE1-CG 3.87Å; F23-Y36 HydrophobicContact CE1-CG 3.87Å; E25-Y36 CarbonylContact O-C 3.58Å; E25-Y36 VanDerWaalsContact O-CA 3.28Å; E25-Y36 WeakPolarHBondContact O-CA 3.48Å; E26-Y36 HydrophobicContact CB-CD1 3.93Å; E26-Y36 HydrophobicContact CB-CE1 3.68Å; E26-Y36 HydrophobicContact CG-CD1 4.15Å; E26-Y36 HydrophobicContact CG-CE1 3.69Å; E26-Y36 PolarHBondContact OE2-OH 2.89Å; E34-Y36 HydrophobicContact CB-CD2 4.26Å; E34-Y36 HydrophobicContact CB-CE2 3.47Å; E34-Y36 VanDerWaalsContact CB-CE2 3.47Å; E34-Y36 HydrophobicContact CG-CE2 4.4Å; Y36-M49 PolarHBondContact N-O 3.11Å; Y36-M49 PolarHBondContact O-N 3.04Å
37M94.3Very high87.1Confident28 Ų2868 Ų6814%0.13837%0.37CS..EExtended strand (participates in β ladder)trans-74.1126.9160.7-171.2169.162.500108.2I24 E25 L27 M46 L96I24-M37 HydrophobicContact CB-CE 4.19Å; I24-M37 HydrophobicContact CG2-CE 3.68Å; I24-M37 PolarHBondContact N-O 3.26Å; E25-M37 HydrophobicContact CG-CB 3.91Å; E25-M37 HydrophobicContact CG-CE 4.11Å; E25-M37 PolarHBondContact O-N 3.28Å; E25-M37 WeakPolarHBondContact OE1-CE 3.37Å; L27-M37 HydrophobicContact CD1-CB 3.99Å; L27-M37 HydrophobicContact CD2-CB 4.23Å; L27-M37 HydrophobicContact CG-CB 4.08Å; M37-M46 HydrophobicContact CE-CE 3.76Å; M37-M46 HydrophobicContact CG-CE 3.7Å; M37-M46 HydrophobicContact SD-CE 3.41Å; M37-M46 WeakPolarHBondContact SD-CE 3.4Å; M37-L96 HydrophobicContact CG-CD1 4.13Å; M37-L96 HydrophobicContact CG-CD2 4Å; M37-L96 HydrophobicContact SD-CD1 4.28Å; M37-L96 HydrophobicContact SD-CD2 3.65Å
38V96.8Very high87.6Confident0 Ų064.6 Ų64.60%036%0.355CS..EExtended strand (participates in β ladder)trans-130.2154.1-178.3-58.80000111.9F21 E22 F23 M46 F47 M49F21-V38 HydrophobicContact CB-CB 4.17Å; F21-V38 HydrophobicContact CB-CG2 4.48Å; F21-V38 HydrophobicContact CD1-CB 4.11Å; F21-V38 HydrophobicContact CD1-CG2 3.61Å; F21-V38 HydrophobicContact CE1-CG2 4.18Å; F21-V38 HydrophobicContact CG-CB 4.48Å; F21-V38 HydrophobicContact CG-CG2 4.26Å; E22-V38 CarbonylContact O-C 3.54Å; E22-V38 WeakPolarHBondContact O-CA 3.2Å; E22-V38 WeakPolarHBondContact O-CB 3.2Å; F23-V38 HydrophobicContact CD1-CG1 4.14Å; F23-V38 HydrophobicContact CD2-CG1 4.45Å; F23-V38 HydrophobicContact CE1-CG1 4.3Å; F23-V38 HydrophobicContact CG-CG1 4.21Å; V38-M46 CarbonylContact O-C 3.59Å; V38-M46 WeakPolarHBondContact O-CA 3.46Å; V38-F47 HydrophobicContact CG2-CB 3.9Å; V38-F47 PolarHBondContact N-O 3.15Å; V38-F47 PolarHBondContact O-N 2.94Å; V38-M49 HydrophobicContact CB-CB 4.45Å; V38-M49 HydrophobicContact CG1-CB 3.72Å; V38-M49 HydrophobicContact CG1-CE 4.16Å; V38-M49 HydrophobicContact CG1-SD 4.3Å; V38-M49 HydrophobicContact CG2-CB 3.83Å; V38-M49 HydrophobicContact CG2-CE 4.22Å
39R97.4Very high88.4Confident95 Ų9563.1 Ų63.136%0.35834%0.339SS..EExtended strand (participates in β ladder)trans-114.6125.4170.8175.8-174.6-63.6138.1-2.9109.7F21 E22 I24 R41 K45 M46F21-R39 CarbonylContact C-O 3.53Å; F21-R39 WeakPolarHBondContact CA-O 3.41Å; E22-R39 HydrophobicContact CB-CB 4.25Å; E22-R39 PolarHBondContact N-O 2.9Å; E22-R39 PolarHBondContact O-N 2.87Å; E22-R39 IonicContact OE2-CZ 3.92Å; E22-R39 IonicContact OE2-NH1 2.77Å; E22-R39 PolarHBondContact OE2-NH1 2.86Å; I24-R39 HydrophobicContact CD1-CB 3.76Å; R39-R41 PolarHBondContact O-N 2.95Å; R39-K45 WeakPolarHBondContact CA-O 3.36Å; R39-M46 HydrophobicContact CB-SD 3.84Å; R39-M46 HydrophobicContact CG-SD 4.25Å
40E97.4Very high89.1Confident37 Ų3759.9 Ų59.917%0.17332%0.315CS..EExtended strand (participates in β ladder)trans-68.6121.4172-173.5-166.4-177.300109.6F21 K42 T43 G44 K45 F47F21-E40 HydrophobicContact CD1-CB 4.06Å; F21-E40 HydrophobicContact CE1-CB 3.75Å; F21-E40 HydrophobicContact CE1-CG 4.15Å; F21-E40 HydrophobicContact CZ-CG 4.49Å; E40-K42 HydrophobicContact CG-CB 4.47Å; E40-K42 PolarHBondContact O-N 3.41Å; E40-T43 PolarHBondContact O-N 3.01Å; E40-T43 WeakPolarHBondContact OE2-CB 3.38Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.41Å; E40-T43 PolarHBondContact OE2-OG1 2.82Å; E40-G44 WeakPolarHBondContact O-CA 3.15Å; E40-G44 PolarHBondContact O-N 2.92Å; E40-K45 PolarHBondContact N-O 2.92Å; E40-F47 HydrophobicContact CB-CD2 4.48Å; E40-F47 HydrophobicContact CB-CE2 4.08Å
41R96.8Very high90.3Very high130 Ų13058.5 Ų58.549%0.49130%0.299SS..THydrogen-bonded Turntrans-64.6-23.7-173.9-65-169.6-176.4-75.30.1113.9Q18 I20 E22 R39Q18-R41 PolarHBondContact O-NE 3.35Å; Q18-R41 PolarHBondContact O-NH2 2.84Å; I20-R41 PolarHBondContact O-N 2.83Å; E22-R41 HydrophobicContact CB-CG 4.43Å; E22-R41 IonicContact OE1-CZ 3.83Å; E22-R41 IonicContact OE1-NH1 2.88Å; E22-R41 PolarHBondContact OE1-NH1 3.43Å; R39-R41 PolarHBondContact O-N 2.95Å
42K95.8Very high91.6Very high193 Ų19354.9 Ų54.984%0.83927%0.267SS*.THydrogen-bonded Turntrans-80.3-31.5179.3-86.5-172.4172.7-178.30114.5E40E40-K42 HydrophobicContact CG-CB 4.47Å; E40-K42 PolarHBondContact O-N 3.41Å
43T96.3Very high92.4Very high88 Ų8855.1 Ų55.154%0.5427%0.268SS..THydrogen-bonded Turntrans-119.1-17.9-169.662.60000113.1E40 K45E40-T43 PolarHBondContact O-N 3.01Å; E40-T43 WeakPolarHBondContact OE2-CB 3.38Å; E40-T43 WeakPolarHBondContact OE2-CG2 3.41Å; E40-T43 PolarHBondContact OE2-OG1 2.82Å; T43-K45 PolarHBondContact O-N 2.97Å; T43-K45 WeakPolarHBondContact OG1-CB 3.31Å; T43-K45 PolarHBondContact OG1-N 3.32Å; T43-K45 VanDerWaalsContact OG1-N 3.15Å
44G95Very high92.7Very high43 Ų4356.2 Ų56.244%0.44327%0.269SS..  trans73.10.5-169.400000114E40E40-G44 WeakPolarHBondContact O-CA 3.15Å; E40-G44 PolarHBondContact O-N 2.92Å
45K95.9Very high92.2Very high95 Ų9557.2 Ų57.241%0.41327%0.272SS..  trans-69.8137.8-177.9-174.6171.5170.5-177.70111.1R39 E40 T43 F47 E81R39-K45 WeakPolarHBondContact CA-O 3.36Å; E40-K45 PolarHBondContact N-O 2.92Å; T43-K45 PolarHBondContact O-N 2.97Å; T43-K45 WeakPolarHBondContact OG1-CB 3.31Å; T43-K45 PolarHBondContact OG1-N 3.32Å; T43-K45 VanDerWaalsContact OG1-N 3.15Å; K45-F47 HydrophobicContact CB-CE2 3.84Å; K45-F47 HydrophobicContact CB-CZ 4.27Å; K45-F47 HydrophobicContact CD-CE1 4.05Å; K45-F47 HydrophobicContact CD-CE2 3.93Å; K45-F47 HydrophobicContact CD-CZ 3.46Å; K45-F47 VanDerWaalsContact CD-CZ 3.46Å; K45-F47 HydrophobicContact CG-CD2 4.31Å; K45-F47 HydrophobicContact CG-CE1 4.36Å; K45-F47 HydrophobicContact CG-CE2 3.68Å; K45-F47 HydrophobicContact CG-CZ 3.74Å; K45-E81 IonicContact NZ-OE1 2.86Å; K45-E81 PolarHBondContact NZ-OE1 2.87Å; K45-E81 IonicContact NZ-OE2 2.61Å
46M95.4Very high91.2Very high60 Ų6066.6 Ų66.630%0.29631%0.31SS..EExtended strand (participates in β ladder)trans-92.5140.2-178.9-58.2-72.4-67.700110.7I24 M37 V38 R39 L96I24-M46 HydrophobicContact CD1-CE 3.64Å; I24-M46 HydrophobicContact CD1-SD 3.88Å; M37-M46 HydrophobicContact CE-CE 3.76Å; M37-M46 HydrophobicContact CG-CE 3.7Å; M37-M46 HydrophobicContact SD-CE 3.41Å; M37-M46 WeakPolarHBondContact SD-CE 3.4Å; V38-M46 CarbonylContact O-C 3.59Å; V38-M46 WeakPolarHBondContact O-CA 3.46Å; R39-M46 HydrophobicContact CB-SD 3.84Å; R39-M46 HydrophobicContact CG-SD 4.25Å; M46-L96 HydrophobicContact CB-CD2 3.85Å
47F94.9Very high90Very high6 Ų673.1 Ų73.13%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-144.3162.7-178.3-64.1-84.3000111.4F21 V38 E40 K45 E81 I93F21-F47 HydrophobicContact CE1-CD2 4.01Å; F21-F47 HydrophobicContact CE1-CE2 4.38Å; V38-F47 HydrophobicContact CG2-CB 3.9Å; V38-F47 PolarHBondContact N-O 3.15Å; V38-F47 PolarHBondContact O-N 2.94Å; E40-F47 HydrophobicContact CB-CD2 4.48Å; E40-F47 HydrophobicContact CB-CE2 4.08Å; K45-F47 HydrophobicContact CB-CE2 3.84Å; K45-F47 HydrophobicContact CB-CZ 4.27Å; K45-F47 HydrophobicContact CD-CE1 4.05Å; K45-F47 HydrophobicContact CD-CE2 3.93Å; K45-F47 HydrophobicContact CD-CZ 3.46Å; K45-F47 VanDerWaalsContact CD-CZ 3.46Å; K45-F47 HydrophobicContact CG-CD2 4.31Å; K45-F47 HydrophobicContact CG-CE1 4.36Å; K45-F47 HydrophobicContact CG-CE2 3.68Å; K45-F47 HydrophobicContact CG-CZ 3.74Å; F47-E81 HydrophobicContact CD1-CB 4.46Å; F47-E81 HydrophobicContact CE1-CB 3.83Å; F47-E81 HydrophobicContact CE1-CG 3.75Å; F47-E81 HydrophobicContact CZ-CG 4.16Å; F47-I93 HydrophobicContact CB-CG2 3.82Å; F47-I93 HydrophobicContact CD1-CG2 3.57Å; F47-I93 HydrophobicContact CD2-CG2 4.06Å; F47-I93 HydrophobicContact CE1-CG2 4Å; F47-I93 HydrophobicContact CE2-CG2 4.44Å; F47-I93 HydrophobicContact CG-CG2 3.57Å; F47-I93 HydrophobicContact CZ-CG2 4.39Å
48A93.2Very high88.5Confident13 Ų1379.8 Ų79.811%0.10736%0.363CS..EExtended strand (participates in β ladder)trans-95.4122.1161.100000108.9L27 V35 M94 L96L27-A48 HydrophobicContact CD1-CB 4.13Å; V35-A48 HydrophobicContact CG1-CB 4.38Å; A48-M94 HydrophobicContact CB-CB 4.48Å; A48-M94 PolarHBondContact N-O 3.22Å; A48-M94 WeakPolarHBondContact O-CA 3.4Å; A48-M94 WeakPolarHBondContact O-CB 3.32Å; A48-M94 PolarHBondContact O-N 3.38Å; A48-L96 HydrophobicContact CB-CD1 4.23Å
49M93.9Very high87.1Confident0 Ų081.4 Ų81.40%037%0.372CS..EExtended strand (participates in β ladder)trans-102.7114.8176.1-179.6-175.3-70.800110I17 F21 F23 V35 Y36 V38 Y91 L92 I93I17-M49 HydrophobicContact CD1-CE 3.9Å; I17-M49 HydrophobicContact CG1-CE 3.46Å; I17-M49 VanDerWaalsContact CG1-CE 3.46Å; I17-M49 HydrophobicContact CG1-SD 3.89Å; F21-M49 HydrophobicContact CB-CE 3.74Å; F21-M49 HydrophobicContact CD1-CE 4.16Å; F21-M49 HydrophobicContact CD2-CE 3.38Å; F21-M49 HydrophobicContact CE2-CE 3.99Å; F21-M49 HydrophobicContact CG-CE 3.48Å; F21-M49 VanDerWaalsContact CG-CE 3.48Å; F23-M49 HydrophobicContact CE1-SD 4.06Å; F23-M49 HydrophobicContact CE2-SD 4.35Å; F23-M49 HydrophobicContact CZ-CE 4.36Å; F23-M49 HydrophobicContact CZ-SD 3.55Å; F23-M49 VanDerWaalsContact CZ-SD 3.55Å; V35-M49 WeakPolarHBondContact CA-O 3.5Å; Y36-M49 PolarHBondContact N-O 3.11Å; Y36-M49 PolarHBondContact O-N 3.04Å; V38-M49 HydrophobicContact CB-CB 4.45Å; V38-M49 HydrophobicContact CG1-CB 3.72Å; V38-M49 HydrophobicContact CG1-CE 4.16Å; V38-M49 HydrophobicContact CG1-SD 4.3Å; V38-M49 HydrophobicContact CG2-CB 3.83Å; V38-M49 HydrophobicContact CG2-CE 4.22Å; M49-Y91 HydrophobicContact CG-CD1 4.5Å; M49-Y91 HydrophobicContact SD-CD1 3.8Å; M49-Y91 HydrophobicContact SD-CG 4.27Å; M49-L92 WeakPolarHBondContact CA-O 3.3Å; M49-I93 HydrophobicContact CB-CD1 4.39Å; M49-I93 HydrophobicContact CE-CD1 3.56Å; M49-I93 HydrophobicContact CG-CD1 4.02Å
50K90.6Very high85.5Confident12 Ų1282 Ų825%0.05238%0.381CS..EExtended strand (participates in β ladder)trans-90.7104171.2-172.8167-167.9168.10109.8E34 V35 V52 L92 M94 D161E34-K50 CarbonylContact O-C 3.26Å; V35-K50 HydrophobicContact CG2-CB 4.29Å; V35-K50 HydrophobicContact CG2-CD 4.4Å; V35-K50 HydrophobicContact CG2-CG 4.05Å; K50-V52 HydrophobicContact CG-CG2 4.09Å; K50-L92 HydrophobicContact CB-CB 4.27Å; K50-L92 PolarHBondContact N-O 3.22Å; K50-L92 PolarHBondContact O-N 3.43Å; K50-M94 HydrophobicContact CB-SD 4.19Å; K50-M94 HydrophobicContact CD-SD 4.48Å; K50-D161 IonicContact NZ-OD1 3.5Å; K50-D161 PolarHBondContact NZ-OD1 2.9Å; K50-D161 IonicContact NZ-OD2 3.78Å; K50-D161 PolarHBondContact NZ-OD2 3.34Å
51C90.8Very high84Confident9 Ų985 Ų856%0.06140%0.398CS..EExtended strand (participates in β ladder)trans-79.9125.8175-65.20000109.7S33 E34 Y91S33-C51 CarbonylContact C-O 3.59Å; S33-C51 WeakPolarHBondContact CA-O 3.44Å; S33-C51 VanDerWaalsContact CB-O 3.24Å; S33-C51 WeakPolarHBondContact CB-O 3.38Å; E34-C51 HydrophobicContact CB-CB 4.42Å; E34-C51 PolarHBondContact N-O 2.95Å; E34-C51 PolarHBondContact O-N 3.11Å; C51-Y91 HydrophobicContact CB-CD1 4.38Å
52V86.4Confident82.8Confident18 Ų1879.4 Ų79.411%0.10938%0.378CS..EExtended strand (participates in β ladder)trans-130.5123.4-175.7-174.20000110.5K50 H89 Y90 L92 L164K50-V52 HydrophobicContact CG-CG2 4.09Å; V52-H89 CarbonylContact O-C 3.58Å; V52-H89 VanDerWaalsContact O-CA 3.26Å; V52-H89 WeakPolarHBondContact O-CA 3.42Å; V52-Y90 PolarHBondContact N-O 2.91Å; V52-Y90 PolarHBondContact O-N 2.85Å; V52-L92 HydrophobicContact CG2-CD1 4.04Å; V52-L164 HydrophobicContact CG1-CD1 4.31Å; V52-L164 HydrophobicContact CG2-CD1 3.61Å
53K84.1Confident81.7Confident144 Ų14470.4 Ų70.463%0.62634%0.339SS*.EExtended strand (participates in β ladder)trans-79.3130.3-173.2-166.2167.1-170.1165.10112.6F32F32-K53 PolarHBondContact O-N 3.48Å
54K83.3Confident80.4Confident58 Ų5870.6 Ų70.625%0.25234%0.337SS..PPolyproline II helixtrans-70.4134.7179-72.4178.5164.5-173.90112.1E85 S86 T88 Y90K54-E85 WeakPolarHBondContact CE-OE1 3.48Å; K54-E85 IonicContact NZ-OE1 3.66Å; K54-E85 PolarHBondContact NZ-OE1 3.4Å; K54-S86 WeakPolarHBondContact CE-O 3.41Å; K54-S86 PolarHBondContact NZ-O 3.1Å; K54-T88 VanDerWaalsContact CB-O 3.29Å; K54-T88 WeakPolarHBondContact CB-O 3.46Å; K54-T88 PolarHBondContact N-O 2.91Å; K54-Y90 HydrophobicContact CD-CE2 4.42Å; K54-Y90 VanDerWaalsContact CE-CZ 3.46Å; K54-Y90 HydrophobicContact CG-CD2 3.97Å; K54-Y90 HydrophobicContact CG-CE2 3.62Å
55K75.5Confident79.3Confident100 Ų10071 Ų7144%0.43533%0.327SS..PPolyproline II helixtrans-73.6158164.1-69.2171.7172.41750110.1K57 M167 A168K55-K57 PolarHBondContact O-N 3.23Å; K55-K57 VanDerWaalsContact O-N 3.08Å; K55-M167 PolarHBondContact NZ-O 2.87Å; K55-A168 PolarHBondContact NZ-O 2.98Å
56K68.5Low78.5Confident226 Ų22666.5 Ų66.598%0.98331%0.307SS*.SBendtrans-66.1-6.1-179.8-69.5-174.1177.5-178.60115.1
57K66.9Low77.6Confident180 Ų18065.1 Ų65.178%0.78331%0.305SS*.SBendtrans-116140.7173.1-68.4-177.9176.8-179.10108.3K55 D59K55-K57 PolarHBondContact O-N 3.23Å; K55-K57 VanDerWaalsContact O-N 3.08Å; K57-D59 PolarHBondContact O-N 3.41Å
58R63.7Low76.7Confident169 Ų16967.7 Ų67.764%0.63832%0.321SS*.  trans-61130172-177.2176.7-178.1162.74.2109E63R58-E63 IonicContact CZ-OE1 3.98Å; R58-E63 IonicContact CZ-OE2 2.82Å; R58-E63 VanDerWaalsContact CZ-OE2 3.24Å; R58-E63 IonicContact NE-OE1 3.65Å; R58-E63 IonicContact NE-OE2 2.69Å; R58-E63 PolarHBondContact NE-OE2 2.86Å; R58-E63 VanDerWaalsContact NH2-CD 3.26Å; R58-E63 IonicContact NH2-OE1 3.32Å; R58-E63 PolarHBondContact NH2-OE1 3.06Å; R58-E63 IonicContact NH2-OE2 3.09Å; R58-E63 PolarHBondContact NH2-OE2 2.77Å
59D66.5Low76Confident34 Ų3467.6 Ų67.618%0.18232%0.319CS..  trans-108.495.8-173.7-156.1-31.1000110.1K57 N61 L62 M167K57-D59 PolarHBondContact O-N 3.41Å; D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 PolarHBondContact OD1-N 3.26Å; D59-L62 HydrophobicContact CB-CB 4.08Å; D59-L62 VanDerWaalsContact O-CB 3.24Å; D59-L62 WeakPolarHBondContact O-CB 3.02Å; D59-L62 PolarHBondContact O-N 3.3Å; D59-M167 HydrophobicContact CB-CE 4.38Å; D59-M167 VanDerWaalsContact OD1-CE 3.24Å; D59-M167 WeakPolarHBondContact OD1-CE 3.12Å; D59-M167 WeakPolarHBondContact OD2-CE 3.37Å
60I65.4Low75.5Confident106 Ų10672.5 Ų72.554%0.54434%0.338SS..Hα-helixtrans-68.4-28.1-173.8-61.3169.9000111L62 E63 N64I60-L62 PolarHBondContact O-N 2.67Å; I60-E63 PolarHBondContact O-N 2.71Å; I60-N64 PolarHBondContact O-N 2.86Å; I60-N64 PolarHBondContact O-ND2 3.25Å
61N65.9Low75Confident101 Ų10179.4 Ų79.454%0.5437%0.368SS..Hα-helixtrans-64.3-33.9176-64.5-19000111D59 N64 E65 M167D59-N61 PolarHBondContact O-N 3.09Å; D59-N61 PolarHBondContact OD1-N 3.26Å; N61-N64 PolarHBondContact O-N 3.33Å; N61-E65 WeakPolarHBondContact O-CB 3.25Å; N61-E65 PolarHBondContact O-N 2.95Å; N61-M167 HydrophobicContact CB-CE 3.89Å; N61-M167 HydrophobicContact CB-SD 3.93Å
62L71.4Confident74.7Confident13 Ų1379.4 Ų79.47%0.06837%0.367CS..Hα-helixtrans-67.2-47.1179.1-165.436.6000111.4D59 I60 N64 E65 I66 Y90 L164 M167D59-L62 HydrophobicContact CB-CB 4.08Å; D59-L62 VanDerWaalsContact O-CB 3.24Å; D59-L62 WeakPolarHBondContact O-CB 3.02Å; D59-L62 PolarHBondContact O-N 3.3Å; I60-L62 PolarHBondContact O-N 2.67Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 2.85Å; L62-E65 PolarHBondContact O-N 2.71Å; L62-I66 HydrophobicContact CD1-CD1 3.65Å; L62-I66 HydrophobicContact CD1-CG1 4.11Å; L62-I66 HydrophobicContact CG-CD1 3.75Å; L62-I66 WeakPolarHBondContact O-CB 3.41Å; L62-I66 VanDerWaalsContact O-CD1 3.26Å; L62-I66 WeakPolarHBondContact O-CD1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.09Å; L62-I66 PolarHBondContact O-N 3.26Å; L62-Y90 HydrophobicContact CD2-CD2 3.74Å; L62-Y90 HydrophobicContact CD2-CE2 3.27Å; L62-Y90 HydrophobicContact CG-CD2 4.44Å; L62-Y90 HydrophobicContact CG-CE2 4.06Å; L62-L164 HydrophobicContact CD1-CD1 4.43Å; L62-L164 HydrophobicContact CD1-CD2 3.33Å; L62-L164 HydrophobicContact CD1-CG 4.46Å; L62-M167 HydrophobicContact CB-CE 3.63Å; L62-M167 HydrophobicContact CD1-CE 4.37Å; L62-M167 HydrophobicContact CD1-CG 4.38Å; L62-M167 HydrophobicContact CD2-CE 4.4Å; L62-M167 HydrophobicContact CG-CE 4.35Å
63E72.2Confident74.8Confident4 Ų486.9 Ų86.92%0.01940%0.401CS..Hα-helixtrans-62.7-35.1179.1-61-175.9112.800111.5Y8 K11 R58 I60 A67Y8-E63 HydrophobicContact CE1-CB 4.43Å; K11-E63 IonicContact NZ-OE1 3.88Å; K11-E63 PolarHBondContact NZ-OE1 2.88Å; R58-E63 IonicContact CZ-OE1 3.98Å; R58-E63 IonicContact CZ-OE2 2.82Å; R58-E63 VanDerWaalsContact CZ-OE2 3.24Å; R58-E63 IonicContact NE-OE1 3.65Å; R58-E63 IonicContact NE-OE2 2.69Å; R58-E63 PolarHBondContact NE-OE2 2.86Å; R58-E63 VanDerWaalsContact NH2-CD 3.26Å; R58-E63 IonicContact NH2-OE1 3.32Å; R58-E63 PolarHBondContact NH2-OE1 3.06Å; R58-E63 IonicContact NH2-OE2 3.09Å; R58-E63 PolarHBondContact NH2-OE2 2.77Å; I60-E63 PolarHBondContact O-N 2.71Å; E63-A67 VanDerWaalsContact O-CB 3.31Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.36Å; E63-A67 VanDerWaalsContact O-N 3.09Å
64N69.3Low75.2Confident92 Ų9282.4 Ų82.449%0.49238%0.382SS..Hα-helixtrans-70.2-45.1172.4-73.3-32.9000113.1I60 N61 L62 A67 V68I60-N64 PolarHBondContact O-N 2.86Å; I60-N64 PolarHBondContact O-ND2 3.25Å; N61-N64 PolarHBondContact O-N 3.33Å; L62-N64 VanDerWaalsContact C-N 3.26Å; L62-N64 PolarHBondContact O-N 2.85Å; N64-A67 PolarHBondContact O-N 3.06Å; N64-V68 PolarHBondContact O-N 3.32Å
65E72.1Confident75.7Confident51 Ų5185.9 Ų85.924%0.23840%0.399CS..Hα-helixtrans-61.1-45.9178-174.5173-165.800110.6N61 L62 A67 V68 L69 L164 M167N61-E65 WeakPolarHBondContact O-CB 3.25Å; N61-E65 PolarHBondContact O-N 2.95Å; L62-E65 PolarHBondContact O-N 2.71Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.9Å; E65-V68 CarbonylContact O-C 3.52Å; E65-V68 WeakPolarHBondContact O-CA 3.39Å; E65-V68 WeakPolarHBondContact O-CB 3.31Å; E65-V68 PolarHBondContact O-N 3.11Å; E65-L69 HydrophobicContact CG-CD1 4.36Å; E65-L69 HydrophobicContact CG-CG 4.5Å; E65-L69 WeakPolarHBondContact O-CG 3.42Å; E65-L69 PolarHBondContact O-N 2.98Å; E65-L164 HydrophobicContact CG-CD2 4.26Å; E65-L164 WeakPolarHBondContact OE1-CA 3.32Å; E65-L164 PolarHBondContact OE1-N 2.84Å; E65-M167 WeakPolarHBondContact OE2-CG 3.49Å
66I77.7Confident76.6Confident1 Ų181.6 Ų81.61%0.00538%0.381CS..Hα-helixtrans-62-40.6176.2-64.8159000110.9W10 L62 V68 L69 R70 M80 F83W10-I66 HydrophobicContact CH2-CB 4.3Å; W10-I66 HydrophobicContact CH2-CG2 3.77Å; W10-I66 HydrophobicContact CZ3-CG2 3.54Å; L62-I66 HydrophobicContact CD1-CD1 3.65Å; L62-I66 HydrophobicContact CD1-CG1 4.11Å; L62-I66 HydrophobicContact CG-CD1 3.75Å; L62-I66 WeakPolarHBondContact O-CB 3.41Å; L62-I66 VanDerWaalsContact O-CD1 3.26Å; L62-I66 WeakPolarHBondContact O-CD1 3.22Å; L62-I66 WeakPolarHBondContact O-CG1 3.09Å; L62-I66 PolarHBondContact O-N 3.26Å; I66-V68 PolarHBondContact O-N 2.54Å; I66-L69 PolarHBondContact O-N 2.98Å; I66-R70 WeakPolarHBondContact O-CG 3.42Å; I66-R70 PolarHBondContact O-N 2.95Å; I66-M80 HydrophobicContact CG2-CE 3.83Å; I66-F83 HydrophobicContact CD1-CD2 4.4Å; I66-F83 HydrophobicContact CD1-CE2 3.52Å; I66-F83 HydrophobicContact CD1-CZ 3.58Å; I66-F83 HydrophobicContact CG1-CE2 4.17Å; I66-F83 HydrophobicContact CG2-CB 4.5Å; I66-F83 HydrophobicContact CG2-CD1 4.32Å; I66-F83 HydrophobicContact CG2-CD2 3.64Å; I66-F83 HydrophobicContact CG2-CE1 4.5Å; I66-F83 HydrophobicContact CG2-CE2 3.85Å; I66-F83 HydrophobicContact CG2-CG 3.87Å; I66-F83 HydrophobicContact CG2-CZ 4.26Å
67A77.1Confident77.7Confident30 Ų3071 Ų7125%0.24834%0.335CS..Hα-helixtrans-66.6-19.9175.200000114.1W10 E63 N64 E65 K71W10-A67 HydrophobicContact CH2-CB 4.44Å; W10-A67 HydrophobicContact CZ2-CB 3.99Å; E63-A67 VanDerWaalsContact O-CB 3.31Å; E63-A67 WeakPolarHBondContact O-CB 3.46Å; E63-A67 PolarHBondContact O-N 3.36Å; E63-A67 VanDerWaalsContact O-N 3.09Å; N64-A67 PolarHBondContact O-N 3.06Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-A67 PolarHBondContact O-N 2.9Å; A67-K71 WeakPolarHBondContact O-CE 3.47Å
68V75.9Confident78.7Confident60 Ų6062.8 Ų62.836%0.36430%0.3SS..Hα-helixtrans-83.4-47.1169.1167.60000110.7N64 E65 I66 R70 K71 I136N64-V68 PolarHBondContact O-N 3.32Å; E65-V68 CarbonylContact O-C 3.52Å; E65-V68 WeakPolarHBondContact O-CA 3.39Å; E65-V68 WeakPolarHBondContact O-CB 3.31Å; E65-V68 PolarHBondContact O-N 3.11Å; I66-V68 PolarHBondContact O-N 2.54Å; V68-R70 PolarHBondContact O-N 3.1Å; V68-K71 WeakPolarHBondContact O-CB 3.47Å; V68-K71 PolarHBondContact O-N 2.85Å; V68-I136 HydrophobicContact CG1-CD1 3.68Å; V68-I136 HydrophobicContact CG1-CG1 3.89Å
69L78.7Confident79.8Confident12 Ų1255.1 Ų55.16%0.06327%0.274CS..Hα-helixtrans-55.3-37.7177.1-66.5173.6000112.2E65 I66 K71 I72 M80 L92 F162 L164E65-L69 HydrophobicContact CG-CD1 4.36Å; E65-L69 HydrophobicContact CG-CG 4.5Å; E65-L69 WeakPolarHBondContact O-CG 3.42Å; E65-L69 PolarHBondContact O-N 2.98Å; I66-L69 PolarHBondContact O-N 2.98Å; L69-K71 PolarHBondContact O-N 2.81Å; L69-K71 VanDerWaalsContact O-N 3.11Å; L69-I72 WeakPolarHBondContact O-CB 3.5Å; L69-I72 PolarHBondContact O-N 2.81Å; L69-I72 VanDerWaalsContact O-N 3.11Å; L69-M80 HydrophobicContact CB-CE 3.96Å; L69-L92 HydrophobicContact CD1-CD2 4.28Å; L69-F162 HydrophobicContact CD2-CD2 3.8Å; L69-F162 HydrophobicContact CD2-CE2 3.33Å; L69-F162 HydrophobicContact CD2-CZ 4.09Å; L69-L164 HydrophobicContact CD1-CD2 4.39Å
70R82.7Confident80.9Confident103 Ų10354.7 Ų54.739%0.38927%0.271SS..THydrogen-bonded Turntrans-64.8-7.8174.7-70.3-171.473.7-100.2-8.4115.4W10 I66 V68 M80W10-R70 VanDerWaalsContact CB-NH1 3.34Å; W10-R70 VanDerWaalsContact CE3-CD 3.44Å; I66-R70 WeakPolarHBondContact O-CG 3.42Å; I66-R70 PolarHBondContact O-N 2.95Å; V68-R70 PolarHBondContact O-N 3.1Å; R70-M80 HydrophobicContact CB-CE 4.39Å; R70-M80 HydrophobicContact CG-CE 3.27Å
71K81.9Confident82Confident157 Ų15753.4 Ų53.468%0.68326%0.262SS*.THydrogen-bonded Turntrans-106-5.9176.2-59.3177.1-175.2177.70112.7A67 V68 L69 Q73 Y130A67-K71 WeakPolarHBondContact O-CE 3.47Å; V68-K71 WeakPolarHBondContact O-CB 3.47Å; V68-K71 PolarHBondContact O-N 2.85Å; L69-K71 PolarHBondContact O-N 2.81Å; L69-K71 VanDerWaalsContact O-N 3.11Å; K71-Q73 PolarHBondContact O-N 3.26Å; K71-Y130 PolarHBondContact O-OH 2.89Å
72I84.1Confident83.2Confident9 Ų950 Ų505%0.04625%0.245CC..  trans-82.6110-179.4-66.2-58.9000109L69 V77 Y130 L131 N134 I136 F162L69-I72 WeakPolarHBondContact O-CB 3.5Å; L69-I72 PolarHBondContact O-N 2.81Å; L69-I72 VanDerWaalsContact O-N 3.11Å; I72-V77 HydrophobicContact CG2-CB 4.36Å; I72-V77 HydrophobicContact CG2-CG1 3.64Å; I72-Y130 HydrophobicContact CB-CE1 4.44Å; I72-Y130 HydrophobicContact CD1-CD1 4.41Å; I72-Y130 HydrophobicContact CD1-CE1 3.63Å; I72-Y130 HydrophobicContact CG2-CE1 4.02Å; I72-L131 HydrophobicContact CD1-CD2 4.27Å; I72-L131 HydrophobicContact CG2-CD2 4.17Å; I72-N134 HydrophobicContact CD1-CB 3.84Å; I72-I136 HydrophobicContact CD1-CD1 3.48Å; I72-I136 VanDerWaalsContact CD1-CD1 3.48Å; I72-I136 HydrophobicContact CG1-CD1 3.57Å; I72-F162 HydrophobicContact CB-CE2 4.32Å; I72-F162 HydrophobicContact CG1-CE2 4.37Å; I72-F162 HydrophobicContact CG2-CE2 3.78Å; I72-F162 HydrophobicContact CG2-CZ 3.9Å
73Q87.6Confident84.2Confident175 Ų17549.5 Ų49.582%0.81824%0.242SC*.  trans-135.899.6175.4-173176.211.800107.8K71 Y130K71-Q73 PolarHBondContact O-N 3.26Å; Q73-Y130 PolarHBondContact N-OH 3.22Å; Q73-Y130 PolarHBondContact O-OH 3.23Å
74H92.5Very high85.1Confident50 Ų5050.1 Ų50.123%0.23124%0.244CC..  trans-139.9147.7177.7-177.4-92.2000108.8N76 V77 Y130H74-N76 VanDerWaalsContact C-N 3.25Å; H74-N76 PolarHBondContact ND1-N 3Å; H74-N76 PolarHBondContact O-N 3.07Å; H74-V77 HydrophobicContact CB-CB 4.08Å; H74-V77 HydrophobicContact CB-CG2 3.91Å; H74-V77 PolarHBondContact O-N 2.85Å; H74-Y130 HydrophobicContact CB-CD1 3.6Å; H74-Y130 HydrophobicContact CB-CD2 4.17Å; H74-Y130 HydrophobicContact CB-CE1 3.83Å; H74-Y130 HydrophobicContact CB-CE2 4.35Å; H74-Y130 HydrophobicContact CB-CG 3.79Å; H74-Y130 AromaticContact CD2-CD2 3.73Å; H74-Y130 AromaticContact CD2-CG 3.6Å; H74-Y130 AromaticContact CG-CG 3.84Å
75E93.3Very high86.2Confident130 Ų13047 Ų4761%0.60723%0.226SC*.THydrogen-bonded Turntrans-62.1-35.3-169.8-170.4169.6172.700113.2K156E75-K156 HydrophobicContact CG-CD 3.76Å; E75-K156 WeakPolarHBondContact O-CE 3.37Å; E75-K156 PolarHBondContact O-NZ 2.77Å; E75-K156 IonicContact OE1-NZ 3.54Å
76N94.9Very high87Confident11 Ų1145 Ų456%0.05922%0.218CC..THydrogen-bonded Turntrans-10421.1-177.5-53.697.9000114.2H74 Q123 A127 I157 I159H74-N76 VanDerWaalsContact C-N 3.25Å; H74-N76 PolarHBondContact ND1-N 3Å; H74-N76 PolarHBondContact O-N 3.07Å; N76-Q123 PolarHBondContact ND2-OE1 2.96Å; N76-Q123 VanDerWaalsContact ND2-OE1 3.1Å; N76-A127 HydrophobicContact CB-CB 4.02Å; N76-I157 VanDerWaalsContact CA-O 3.29Å; N76-I157 WeakPolarHBondContact CA-O 3.35Å; N76-I157 VanDerWaalsContact CB-O 3.23Å; N76-I157 WeakPolarHBondContact CB-O 3.23Å; N76-I157 PolarHBondContact ND2-O 3.02Å; N76-I159 PolarHBondContact O-N 3.49Å
77V91.4Very high87.5Confident4 Ų454.4 Ų54.42%0.02425%0.254CS..BIsolated β-bridgetrans-126.8135177.3179.90000108.9I72 H74 G79 A127 L131 M158 F162I72-V77 HydrophobicContact CG2-CB 4.36Å; I72-V77 HydrophobicContact CG2-CG1 3.64Å; H74-V77 HydrophobicContact CB-CB 4.08Å; H74-V77 HydrophobicContact CB-CG2 3.91Å; H74-V77 PolarHBondContact O-N 2.85Å; V77-G79 PolarHBondContact O-N 3.07Å; V77-A127 HydrophobicContact CG2-CB 3.66Å; V77-L131 HydrophobicContact CG1-CD2 4.33Å; V77-L131 HydrophobicContact CG2-CG 4.44Å; V77-M158 WeakPolarHBondContact O-CE 3.25Å; V77-F162 HydrophobicContact CG1-CD1 3.74Å; V77-F162 HydrophobicContact CG1-CD2 4.35Å; V77-F162 HydrophobicContact CG1-CE1 3.27Å; V77-F162 HydrophobicContact CG1-CE2 3.92Å; V77-F162 HydrophobicContact CG1-CG 4.27Å; V77-F162 HydrophobicContact CG1-CZ 3.38Å
78V88.7Confident87.9Confident6 Ų656.9 Ų56.94%0.03627%0.266CS..  trans-66.7110-178.6178.80000110.5M94 H95 V97 M158 I159 F162V78-M94 HydrophobicContact CB-CE 4.33Å; V78-M94 HydrophobicContact CG1-CB 4.04Å; V78-M94 HydrophobicContact CG1-CE 3.83Å; V78-H95 HydrophobicContact CG1-CB 4.34Å; V78-H95 WeakPolarHBondContact CG1-O 3.24Å; V78-V97 HydrophobicContact CG2-CG2 3.8Å; V78-M158 HydrophobicContact CG2-CB 4.1Å; V78-M158 HydrophobicContact CG2-CE 4.27Å; V78-I159 WeakPolarHBondContact CG2-O 3.43Å; V78-I159 PolarHBondContact N-O 2.85Å; V78-F162 HydrophobicContact CB-CE1 4.46Å; V78-F162 VanDerWaalsContact O-CE1 3.28Å; V78-F162 WeakPolarHBondContact O-CE1 3.29Å; V78-F162 WeakPolarHBondContact O-CZ 3.39Å
79G87.6Confident88.6Confident9 Ų956.1 Ų56.19%0.09326%0.258CS..  trans-67.9150.5177.200000112.5V77 M94 H95V77-G79 PolarHBondContact O-N 3.07Å; G79-M94 WeakPolarHBondContact O-CA 3.38Å; G79-H95 PolarHBondContact O-N 3.12Å
80M88.9Confident89Confident24 Ų2456.1 Ų56.112%0.11826%0.257CS..EExtended strand (participates in β ladder)trans-105.8110.5169.8-171.8171.269.700109.2I66 L69 R70 L92 I93 M94I66-M80 HydrophobicContact CG2-CE 3.83Å; L69-M80 HydrophobicContact CB-CE 3.96Å; R70-M80 HydrophobicContact CB-CE 4.39Å; R70-M80 HydrophobicContact CG-CE 3.27Å; M80-L92 HydrophobicContact CG-CB 4.49Å; M80-L92 HydrophobicContact SD-CB 3.6Å; M80-L92 VanDerWaalsContact SD-CB 3.6Å; M80-L92 HydrophobicContact SD-CD2 3.71Å; M80-L92 HydrophobicContact SD-CG 3.56Å; M80-L92 VanDerWaalsContact SD-CG 3.56Å; M80-I93 CarbonylContact C-O 3.47Å; M80-I93 WeakPolarHBondContact CA-O 3.28Å; M80-I93 WeakPolarHBondContact CG-O 3.26Å; M80-M94 HydrophobicContact CB-CG 4.49Å; M80-M94 HydrophobicContact CG-CG 4.33Å
81E89.1Confident89.5Confident79 Ų7952.2 Ų52.237%0.36924%0.243SC..EExtended strand (participates in β ladder)trans-67.6-44.7179.5-165.498.5141.100111K45 F47 I93 H95K45-E81 IonicContact NZ-OE1 2.86Å; K45-E81 PolarHBondContact NZ-OE1 2.87Å; K45-E81 IonicContact NZ-OE2 2.61Å; F47-E81 HydrophobicContact CD1-CB 4.46Å; F47-E81 HydrophobicContact CE1-CB 3.83Å; F47-E81 HydrophobicContact CE1-CG 3.75Å; F47-E81 HydrophobicContact CZ-CG 4.16Å; E81-I93 HydrophobicContact CB-CG2 4.45Å; E81-I93 PolarHBondContact N-O 3.41Å; E81-H95 IonicContact OE2-CD2 3.65Å; E81-H95 IonicContact OE2-CE1 2.86Å; E81-H95 IonicContact OE2-NE2 2.77Å; E81-H95 PolarHBondContact OE2-NE2 3.17Å
82D90.8Very high89.9Confident31 Ų3145 Ų4517%0.16621%0.211CC..EExtended strand (participates in β ladder)trans-153.8163.5-162.8-129.2-39.9000113.3K12 Y84 I93K12-D82 WeakPolarHBondContact CD-OD1 3.26Å; K12-D82 WeakPolarHBondContact CE-OD1 3.36Å; K12-D82 IonicContact NZ-OD1 3.57Å; K12-D82 PolarHBondContact NZ-OD1 2.75Å; K12-D82 IonicContact NZ-OD2 3.67Å; K12-D82 PolarHBondContact NZ-OD2 2.85Å; D82-Y84 HydrophobicContact CB-CE2 4.1Å; D82-I93 HydrophobicContact CB-CB 3.73Å; D82-I93 HydrophobicContact CB-CG1 3.81Å; D82-I93 HydrophobicContact CB-CG2 4.37Å; D82-I93 PolarHBondContact N-O 3.02Å; D82-I93 PolarHBondContact O-N 3.33Å
83F91.3Very high90.4Very high1 Ų144.6 Ų44.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-143.8123.4-178.4-176.9-98.4000113.1W10 K11 K12 I66 E85 Y90 L92W10-F83 HydrophobicContact CE3-CB 4.39Å; W10-F83 HydrophobicContact CE3-CD1 4.19Å; W10-F83 HydrophobicContact CZ3-CB 4.31Å; W10-F83 AromaticContact CZ3-CD1 3.64Å; W10-F83 HydrophobicContact CZ3-CD1 3.64Å; W10-F83 HydrophobicContact CZ3-CE1 4.21Å; W10-F83 HydrophobicContact CZ3-CG 4.05Å; K11-F83 HydrophobicContact CD-CE1 4.48Å; K11-F83 HydrophobicContact CG-CD1 3.87Å; K11-F83 HydrophobicContact CG-CE1 3.77Å; K12-F83 WeakPolarHBondContact CB-O 3.46Å; K12-F83 PolarHBondContact N-O 2.61Å; I66-F83 HydrophobicContact CD1-CD2 4.4Å; I66-F83 HydrophobicContact CD1-CE2 3.52Å; I66-F83 HydrophobicContact CD1-CZ 3.58Å; I66-F83 HydrophobicContact CG1-CE2 4.17Å; I66-F83 HydrophobicContact CG2-CB 4.5Å; I66-F83 HydrophobicContact CG2-CD1 4.32Å; I66-F83 HydrophobicContact CG2-CD2 3.64Å; I66-F83 HydrophobicContact CG2-CE1 4.5Å; I66-F83 HydrophobicContact CG2-CE2 3.85Å; I66-F83 HydrophobicContact CG2-CG 3.87Å; I66-F83 HydrophobicContact CG2-CZ 4.26Å; F83-E85 HydrophobicContact CE1-CB 4.45Å; F83-Y90 HydrophobicContact CE1-CD1 4.24Å; F83-Y90 HydrophobicContact CE2-CD1 4.43Å; F83-Y90 HydrophobicContact CE2-CG 4.48Å; F83-Y90 AromaticContact CZ-CD1 3.51Å; F83-Y90 HydrophobicContact CZ-CD1 3.51Å; F83-Y90 HydrophobicContact CZ-CE1 4.33Å; F83-Y90 AromaticContact CZ-CG 3.96Å; F83-Y90 HydrophobicContact CZ-CG 3.96Å; F83-L92 HydrophobicContact CD2-CD1 4.23Å; F83-L92 HydrophobicContact CD2-CG 4.08Å; F83-L92 HydrophobicContact CE2-CD1 3.83Å; F83-L92 HydrophobicContact CE2-CG 4.16Å
84Y92.6Very high90.6Very high17 Ų1737.3 Ų37.37%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-116.7147.5178.5-66.8-98.8000112.5K12 T14 I17 I20 F21 D82 Y91 I93K12-Y84 HydrophobicContact CB-CD1 3.44Å; K12-Y84 VanDerWaalsContact CB-CD1 3.44Å; K12-Y84 HydrophobicContact CB-CE1 3.55Å; K12-Y84 HydrophobicContact CB-CG 4.03Å; K12-Y84 HydrophobicContact CD-CD1 4.29Å; K12-Y84 HydrophobicContact CD-CE1 3.61Å; K12-Y84 HydrophobicContact CD-CE2 4.02Å; K12-Y84 VanDerWaalsContact CD-CZ 3.45Å; K12-Y84 HydrophobicContact CG-CE1 4.21Å; K12-Y84 CarbonylContact O-C 3.55Å; K12-Y84 WeakPolarHBondContact O-CA 3.33Å; T14-Y84 HydrophobicContact CG2-CD1 4.26Å; I17-Y84 HydrophobicContact CD1-CD1 4.31Å; I17-Y84 HydrophobicContact CD1-CD2 4.38Å; I17-Y84 HydrophobicContact CD1-CG 3.96Å; I20-Y84 HydrophobicContact CD1-CD1 3.85Å; I20-Y84 HydrophobicContact CD1-CE1 3.45Å; I20-Y84 VanDerWaalsContact CD1-CE1 3.45Å; I20-Y84 HydrophobicContact CG2-CE1 4.42Å; F21-Y84 HydrophobicContact CE2-CD2 4.19Å; F21-Y84 AromaticContact CE2-CE2 3.77Å; F21-Y84 HydrophobicContact CE2-CE2 3.77Å; F21-Y84 HydrophobicContact CZ-CE2 4.14Å; D82-Y84 HydrophobicContact CB-CE2 4.1Å; Y84-Y91 PolarHBondContact N-O 3.23Å; Y84-Y91 PolarHBondContact O-N 3.04Å; Y84-I93 HydrophobicContact CD2-CD1 4.13Å; Y84-I93 HydrophobicContact CD2-CG1 3.75Å; Y84-I93 HydrophobicContact CE2-CD1 4.48Å; Y84-I93 HydrophobicContact CE2-CG1 3.89Å
85E90.8Very high90.5Very high26 Ų2638.2 Ų38.212%0.12118%0.18CC..EExtended strand (participates in β ladder)trans-126131.2176.9176.2170-125.400110.4K11 K12 N13 T14 K54 F83 Y90K11-E85 WeakPolarHBondContact CE-OE2 3.18Å; K11-E85 IonicContact NZ-OE1 3.77Å; K11-E85 PolarHBondContact NZ-OE1 3.48Å; K11-E85 IonicContact NZ-OE2 2.76Å; K11-E85 PolarHBondContact NZ-OE2 2.99Å; K12-E85 PolarHBondContact O-N 2.88Å; N13-E85 CarbonylContact C-O 3.49Å; N13-E85 WeakPolarHBondContact CA-O 3.29Å; N13-E85 PolarHBondContact OD1-OE2 2.87Å; T14-E85 PolarHBondContact N-O 2.61Å; K54-E85 WeakPolarHBondContact CE-OE1 3.48Å; K54-E85 IonicContact NZ-OE1 3.66Å; K54-E85 PolarHBondContact NZ-OE1 3.4Å; F83-E85 HydrophobicContact CE1-CB 4.45Å; E85-Y90 HydrophobicContact CB-CD1 4.43Å; E85-Y90 HydrophobicContact CG-CD1 4.22Å; E85-Y90 HydrophobicContact CG-CE1 4.32Å; E85-Y90 VanDerWaalsContact OE1-CE1 3.25Å; E85-Y90 WeakPolarHBondContact OE1-CE1 3.36Å
86S90.3Very high90.3Very high9 Ų933.7 Ų33.76%0.06316%0.159CC..  trans-113.1178.6164.169.60000111T14 K54 T88 H89 Y91T14-S86 VanDerWaalsContact O-CA 3.3Å; T14-S86 WeakPolarHBondContact O-CA 3.17Å; T14-S86 VanDerWaalsContact O-CB 3.32Å; T14-S86 WeakPolarHBondContact O-CB 3.41Å; K54-S86 WeakPolarHBondContact CE-O 3.41Å; K54-S86 PolarHBondContact NZ-O 3.1Å; S86-T88 PolarHBondContact O-N 2.96Å; S86-H89 PolarHBondContact N-O 3.44Å; S86-H89 PolarHBondContact OG-N 3.34Å; S86-H89 VanDerWaalsContact OG-N 3.12Å; S86-H89 PolarHBondContact OG-O 3.34Å; S86-Y91 PolarHBondContact OG-OH 3.35Å; S86-Y91 VanDerWaalsContact OG-OH 3.07Å
87R87.6Confident90Very high200 Ų20034.4 Ų34.476%0.75516%0.164SC*.SBendtrans-60.2-25.6177.1-56.5-175.5-168.6-166.55.2112.6E15E15-R87 IonicContact OE1-CZ 3.87Å; E15-R87 VanDerWaalsContact OE1-CZ 3.27Å; E15-R87 IonicContact OE1-NE 2.71Å; E15-R87 PolarHBondContact OE1-NE 2.77Å; E15-R87 VanDerWaalsContact OE1-NE 3.1Å; E15-R87 IonicContact OE1-NH2 2.69Å; E15-R87 PolarHBondContact OE1-NH2 2.77Å; E15-R87 IonicContact OE2-NH2 2.71Å
88T86.3Confident89.8Confident82 Ų8237.7 Ų37.750%0.50319%0.187SC..SBendtrans-120.4-19.9-170.951.90000115.1K54 S86K54-T88 VanDerWaalsContact CB-O 3.29Å; K54-T88 WeakPolarHBondContact CB-O 3.46Å; K54-T88 PolarHBondContact N-O 2.91Å; S86-T88 PolarHBondContact O-N 2.96Å
89H88.8Confident89.6Confident43 Ų4337.5 Ų37.520%0.19919%0.186CC..EExtended strand (participates in β ladder)trans-139.1164.4-176.3-61.183.5000112.3V52 S86 Y91V52-H89 CarbonylContact O-C 3.58Å; V52-H89 VanDerWaalsContact O-CA 3.26Å; V52-H89 WeakPolarHBondContact O-CA 3.42Å; S86-H89 PolarHBondContact N-O 3.44Å; S86-H89 PolarHBondContact OG-N 3.34Å; S86-H89 VanDerWaalsContact OG-N 3.12Å; S86-H89 PolarHBondContact OG-O 3.34Å; H89-Y91 HydrophobicContact CB-CE1 3.95Å; H89-Y91 HydrophobicContact CB-CE2 4.19Å
90Y88.6Confident89.4Confident12 Ų1238.8 Ų38.85%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-109.7149.7159.4-53.5-73000108.7V52 K54 L62 F83 E85V52-Y90 PolarHBondContact N-O 2.91Å; V52-Y90 PolarHBondContact O-N 2.85Å; K54-Y90 HydrophobicContact CD-CE2 4.42Å; K54-Y90 VanDerWaalsContact CE-CZ 3.46Å; K54-Y90 HydrophobicContact CG-CD2 3.97Å; K54-Y90 HydrophobicContact CG-CE2 3.62Å; L62-Y90 HydrophobicContact CD2-CD2 3.74Å; L62-Y90 HydrophobicContact CD2-CE2 3.27Å; L62-Y90 HydrophobicContact CG-CD2 4.44Å; L62-Y90 HydrophobicContact CG-CE2 4.06Å; F83-Y90 HydrophobicContact CE1-CD1 4.24Å; F83-Y90 HydrophobicContact CE2-CD1 4.43Å; F83-Y90 HydrophobicContact CE2-CG 4.48Å; F83-Y90 AromaticContact CZ-CD1 3.51Å; F83-Y90 HydrophobicContact CZ-CD1 3.51Å; F83-Y90 HydrophobicContact CZ-CE1 4.33Å; F83-Y90 AromaticContact CZ-CG 3.96Å; F83-Y90 HydrophobicContact CZ-CG 3.96Å; E85-Y90 HydrophobicContact CB-CD1 4.43Å; E85-Y90 HydrophobicContact CG-CD1 4.22Å; E85-Y90 HydrophobicContact CG-CE1 4.32Å; E85-Y90 VanDerWaalsContact OE1-CE1 3.25Å; E85-Y90 WeakPolarHBondContact OE1-CE1 3.36Å
91Y91.9Very high89.2Confident22 Ų2240.5 Ų40.59%0.08621%0.208CC..EExtended strand (participates in β ladder)trans-130.4113.9176.8-43.3-89.2000108.7T14 I17 M49 C51 Y84 S86 H89T14-Y91 HydrophobicContact CG2-CE2 4.4Å; I17-Y91 HydrophobicContact CB-CD1 4.42Å; I17-Y91 HydrophobicContact CB-CD2 4.33Å; I17-Y91 HydrophobicContact CB-CE1 4.14Å; I17-Y91 HydrophobicContact CB-CE2 4.04Å; I17-Y91 HydrophobicContact CD1-CD2 3.99Å; I17-Y91 HydrophobicContact CD1-CE2 4.48Å; I17-Y91 HydrophobicContact CD1-CG 4.09Å; I17-Y91 HydrophobicContact CG1-CD1 4.08Å; I17-Y91 HydrophobicContact CG1-CD2 4.13Å; I17-Y91 HydrophobicContact CG1-CE1 4.31Å; I17-Y91 HydrophobicContact CG1-CE2 4.34Å; I17-Y91 HydrophobicContact CG1-CG 3.99Å; I17-Y91 HydrophobicContact CG2-CD1 4.29Å; I17-Y91 HydrophobicContact CG2-CE1 3.73Å; I17-Y91 HydrophobicContact CG2-CE2 4.42Å; M49-Y91 HydrophobicContact CG-CD1 4.5Å; M49-Y91 HydrophobicContact SD-CD1 3.8Å; M49-Y91 HydrophobicContact SD-CG 4.27Å; C51-Y91 HydrophobicContact CB-CD1 4.38Å; Y84-Y91 PolarHBondContact N-O 3.23Å; Y84-Y91 PolarHBondContact O-N 3.04Å; S86-Y91 PolarHBondContact OG-OH 3.35Å; S86-Y91 VanDerWaalsContact OG-OH 3.07Å; H89-Y91 HydrophobicContact CB-CE1 3.95Å; H89-Y91 HydrophobicContact CB-CE2 4.19Å
92L91.3Very high89Confident4 Ų436.8 Ų36.82%0.02119%0.19CC..EExtended strand (participates in β ladder)trans-93.1119.6176.1-70.170.5000107.2M49 K50 V52 L69 M80 F83 M94 L164M49-L92 WeakPolarHBondContact CA-O 3.3Å; K50-L92 HydrophobicContact CB-CB 4.27Å; K50-L92 PolarHBondContact N-O 3.22Å; K50-L92 PolarHBondContact O-N 3.43Å; V52-L92 HydrophobicContact CG2-CD1 4.04Å; L69-L92 HydrophobicContact CD1-CD2 4.28Å; M80-L92 HydrophobicContact CG-CB 4.49Å; M80-L92 HydrophobicContact SD-CB 3.6Å; M80-L92 VanDerWaalsContact SD-CB 3.6Å; M80-L92 HydrophobicContact SD-CD2 3.71Å; M80-L92 HydrophobicContact SD-CG 3.56Å; M80-L92 VanDerWaalsContact SD-CG 3.56Å; F83-L92 HydrophobicContact CD2-CD1 4.23Å; F83-L92 HydrophobicContact CD2-CG 4.08Å; F83-L92 HydrophobicContact CE2-CD1 3.83Å; F83-L92 HydrophobicContact CE2-CG 4.16Å; L92-M94 HydrophobicContact CB-CG 4.23Å; L92-M94 HydrophobicContact CB-SD 4.37Å; L92-L164 HydrophobicContact CD1-CD1 4.16Å; L92-L164 HydrophobicContact CD2-CD1 3.94Å; L92-L164 HydrophobicContact CD2-CG 4.38Å
93I93.4Very high88.7Confident1 Ų135.3 Ų35.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-93.2105178.7-48.7-54.8000107.7F21 F47 M49 M80 E81 D82 Y84F21-I93 HydrophobicContact CD2-CD1 4.38Å; F21-I93 HydrophobicContact CE1-CD1 4.26Å; F21-I93 HydrophobicContact CE1-CG2 4.28Å; F21-I93 HydrophobicContact CE2-CD1 3.71Å; F21-I93 HydrophobicContact CE2-CG1 4.21Å; F21-I93 HydrophobicContact CZ-CD1 3.65Å; F21-I93 HydrophobicContact CZ-CG1 3.87Å; F21-I93 HydrophobicContact CZ-CG2 4.13Å; F47-I93 HydrophobicContact CB-CG2 3.82Å; F47-I93 HydrophobicContact CD1-CG2 3.57Å; F47-I93 HydrophobicContact CD2-CG2 4.06Å; F47-I93 HydrophobicContact CE1-CG2 4Å; F47-I93 HydrophobicContact CE2-CG2 4.44Å; F47-I93 HydrophobicContact CG-CG2 3.57Å; F47-I93 HydrophobicContact CZ-CG2 4.39Å; M49-I93 HydrophobicContact CB-CD1 4.39Å; M49-I93 HydrophobicContact CE-CD1 3.56Å; M49-I93 HydrophobicContact CG-CD1 4.02Å; M80-I93 CarbonylContact C-O 3.47Å; M80-I93 WeakPolarHBondContact CA-O 3.28Å; M80-I93 WeakPolarHBondContact CG-O 3.26Å; E81-I93 HydrophobicContact CB-CG2 4.45Å; E81-I93 PolarHBondContact N-O 3.41Å; D82-I93 HydrophobicContact CB-CB 3.73Å; D82-I93 HydrophobicContact CB-CG1 3.81Å; D82-I93 HydrophobicContact CB-CG2 4.37Å; D82-I93 PolarHBondContact N-O 3.02Å; D82-I93 PolarHBondContact O-N 3.33Å; Y84-I93 HydrophobicContact CD2-CD1 4.13Å; Y84-I93 HydrophobicContact CD2-CG1 3.75Å; Y84-I93 HydrophobicContact CE2-CD1 4.48Å; Y84-I93 HydrophobicContact CE2-CG1 3.89Å
94M91.8Very high88.3Confident22 Ų2237.9 Ų37.911%0.10820%0.196CC..EExtended strand (participates in β ladder)trans-109.5153.9-172-59.6179.768.600110.7A48 K50 V78 G79 M80 L92 L96A48-M94 HydrophobicContact CB-CB 4.48Å; A48-M94 PolarHBondContact N-O 3.22Å; A48-M94 WeakPolarHBondContact O-CA 3.4Å; A48-M94 WeakPolarHBondContact O-CB 3.32Å; A48-M94 PolarHBondContact O-N 3.38Å; K50-M94 HydrophobicContact CB-SD 4.19Å; K50-M94 HydrophobicContact CD-SD 4.48Å; V78-M94 HydrophobicContact CB-CE 4.33Å; V78-M94 HydrophobicContact CG1-CB 4.04Å; V78-M94 HydrophobicContact CG1-CE 3.83Å; G79-M94 WeakPolarHBondContact O-CA 3.38Å; M80-M94 HydrophobicContact CB-CG 4.49Å; M80-M94 HydrophobicContact CG-CG 4.33Å; L92-M94 HydrophobicContact CB-CG 4.23Å; L92-M94 HydrophobicContact CB-SD 4.37Å; M94-L96 PolarHBondContact O-N 3.46Å
95H90.3Very high88Confident70 Ų7038.2 Ų38.232%0.32420%0.198SC..EExtended strand (participates in β ladder)trans-60.8127.8174.8-64.9162.4000110V78 G79 E81V78-H95 HydrophobicContact CG1-CB 4.34Å; V78-H95 WeakPolarHBondContact CG1-O 3.24Å; G79-H95 PolarHBondContact O-N 3.12Å; E81-H95 IonicContact OE2-CD2 3.65Å; E81-H95 IonicContact OE2-CE1 2.86Å; E81-H95 IonicContact OE2-NE2 2.77Å; E81-H95 PolarHBondContact OE2-NE2 3.17Å
96L90.3Very high87.7Confident34 Ų3437 Ų3718%0.17819%0.192CC..  trans-68139.3175.7-175.662.6000109.6L27 M37 M46 A48 M94L27-L96 HydrophobicContact CD1-CD1 3.89Å; M37-L96 HydrophobicContact CG-CD1 4.13Å; M37-L96 HydrophobicContact CG-CD2 4Å; M37-L96 HydrophobicContact SD-CD1 4.28Å; M37-L96 HydrophobicContact SD-CD2 3.65Å; M46-L96 HydrophobicContact CB-CD2 3.85Å; A48-L96 HydrophobicContact CB-CD1 4.23Å; M94-L96 PolarHBondContact O-N 3.46Å
97V89.3Confident87.5Confident27 Ų2738.3 Ų38.316%0.16420%0.198CC..  trans-129.3121.3179.4172.80000106.7V78 L147 Y148 M158V78-V97 HydrophobicContact CG2-CG2 3.8Å; V97-L147 HydrophobicContact CG1-CB 3.58Å; V97-L147 HydrophobicContact CG1-CD1 4.11Å; V97-Y148 WeakPolarHBondContact CG1-O 3.4Å; V97-M158 HydrophobicContact CG1-CB 4.26Å; V97-M158 HydrophobicContact CG1-CG 4.29Å; V97-M158 HydrophobicContact CG2-CB 4.13Å; V97-M158 HydrophobicContact CG2-CG 4.04Å
98S86Confident87.4Confident72 Ų7234.6 Ų34.650%0.50319%0.193SC..  trans-132.59.1-16659.80000114.5G100 Y149S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 2.9Å; S98-Y149 PolarHBondContact N-O 2.97Å
99G84.4Confident87.2Confident2 Ų235 Ų352%0.02119%0.185CC..SBendtrans-78.8-3.8176.400000115.9R105 Y148 Y149 S150G99-R105 VanDerWaalsContact O-CD 3.25Å; G99-R105 WeakPolarHBondContact O-CD 3.25Å; G99-R105 WeakPolarHBondContact O-CG 3.15Å; G99-R105 PolarHBondContact O-NH1 3.48Å; G99-Y148 WeakPolarHBondContact CA-O 3.25Å; G99-Y148 PolarHBondContact N-O 2.88Å; G99-Y149 PolarHBondContact N-O 3.1Å; G99-S150 WeakPolarHBondContact CA-O 3.4Å
100G84.6Confident87Confident37 Ų3734.7 Ų34.738%0.38119%0.194SC..  trans87.8174.8178.800000115S98 L147 Y148S98-G100 VanDerWaalsContact C-N 3.3Å; S98-G100 PolarHBondContact O-N 2.9Å; G100-L147 WeakPolarHBondContact O-CA 3.21Å; G100-Y148 PolarHBondContact O-N 3.46Å
101E84.9Confident87.1Confident60 Ų6038.8 Ų38.828%0.2822%0.22SC..BIsolated β-bridgetrans-67.8149.2176.8-71.8-177.3-140.100112.2F103 D104 R105 L147E101-F103 VanDerWaalsContact C-N 3.32Å; E101-F103 PolarHBondContact O-N 3.22Å; E101-D104 PolarHBondContact O-N 3.43Å; E101-R105 WeakPolarHBondContact O-CB 3.45Å; E101-R105 PolarHBondContact O-N 3.38Å; E101-R105 VanDerWaalsContact O-N 3.15Å; E101-L147 HydrophobicContact CG-CD2 4.05Å
102L83.9Confident87.2Confident0 Ų037.9 Ų37.90%022%0.216CC..THydrogen-bonded Turntrans-52.4-43.9179172.757.9000113.9I106 V120 I146 Y148 I157 L209L102-I106 HydrophobicContact CD1-CD1 4.16Å; L102-I106 HydrophobicContact CG-CD1 4.43Å; L102-I106 WeakPolarHBondContact O-CG1 3.09Å; L102-I106 PolarHBondContact O-N 3.3Å; L102-V120 HydrophobicContact CD1-CB 4.47Å; L102-V120 HydrophobicContact CD1-CG1 3.72Å; L102-V120 HydrophobicContact CD1-CG2 3.96Å; L102-V120 HydrophobicContact CD2-CG1 3.87Å; L102-V120 HydrophobicContact CG-CG1 4.48Å; L102-I146 HydrophobicContact CB-CG2 4.38Å; L102-I146 WeakPolarHBondContact CB-O 3.38Å; L102-I146 HydrophobicContact CD2-CB 4.31Å; L102-I146 HydrophobicContact CD2-CG2 3.93Å; L102-I146 PolarHBondContact N-O 3.35Å; L102-Y148 HydrophobicContact CD1-CE2 3.91Å; L102-I157 HydrophobicContact CD1-CD1 4.16Å; L102-L209 HydrophobicContact CD1-CD2 4.22Å; L102-L209 HydrophobicContact CD2-CD1 4.23Å; L102-L209 HydrophobicContact CD2-CD2 3.9Å; L102-L209 HydrophobicContact CD2-CG 4.45Å; L102-L209 HydrophobicContact CG-CD2 4.05Å
103F83.8Confident87.5Confident1 Ų138.2 Ų38.20%0.00422%0.219CC..THydrogen-bonded Turntrans-80.9-38.3-175.3-76-55.9000114.2E101 R105 I106 L107 P143 I208 L209 I292 F296E101-F103 VanDerWaalsContact C-N 3.32Å; E101-F103 PolarHBondContact O-N 3.22Å; F103-R105 VanDerWaalsContact C-N 3.27Å; F103-R105 PolarHBondContact O-N 3.39Å; F103-I106 HydrophobicContact CD1-CD1 3.97Å; F103-I106 HydrophobicContact CE1-CD1 4.31Å; F103-I106 WeakPolarHBondContact O-CB 3.13Å; F103-I106 PolarHBondContact O-N 3.41Å; F103-L107 PolarHBondContact O-N 2.71Å; F103-L107 VanDerWaalsContact O-N 3.15Å; F103-P143 HydrophobicContact CD2-CB 3.71Å; F103-P143 HydrophobicContact CD2-CG 4.22Å; F103-P143 HydrophobicContact CE2-CB 3.48Å; F103-P143 VanDerWaalsContact CE2-CB 3.48Å; F103-P143 HydrophobicContact CE2-CG 3.52Å; F103-P143 HydrophobicContact CZ-CG 4.47Å; F103-I208 HydrophobicContact CE1-CG2 3.97Å; F103-I208 HydrophobicContact CE2-CG2 3.9Å; F103-I208 HydrophobicContact CZ-CB 3.88Å; F103-I208 HydrophobicContact CZ-CG2 3.33Å; F103-L209 HydrophobicContact CD1-CD2 4.34Å; F103-L209 HydrophobicContact CE1-CD2 3.61Å; F103-L209 HydrophobicContact CE1-CG 4.12Å; F103-L209 HydrophobicContact CZ-CD2 4.12Å; F103-L209 HydrophobicContact CZ-CG 4.23Å; F103-I292 HydrophobicContact CB-CG2 4.24Å; F103-I292 HydrophobicContact CD1-CD1 3.58Å; F103-I292 HydrophobicContact CD1-CG1 4.11Å; F103-I292 HydrophobicContact CE1-CD1 4.11Å; F103-I292 HydrophobicContact CE1-CG1 4.48Å; F103-I292 HydrophobicContact CG-CD1 4.47Å; F103-F296 AromaticContact CD2-CE1 3.78Å; F103-F296 HydrophobicContact CD2-CE1 3.78Å; F103-F296 AromaticContact CD2-CE2 3.87Å; F103-F296 HydrophobicContact CD2-CE2 3.87Å; F103-F296 AromaticContact CD2-CZ 3.27Å; F103-F296 HydrophobicContact CD2-CZ 3.27Å; F103-F296 HydrophobicContact CE2-CE1 4.37Å; F103-F296 HydrophobicContact CE2-CE2 4.07Å; F103-F296 AromaticContact CE2-CZ 3.51Å; F103-F296 HydrophobicContact CE2-CZ 3.51Å; F103-F296 HydrophobicContact CG-CE2 4.34Å; F103-F296 HydrophobicContact CG-CZ 4.11Å
104D84.6Confident87.7Confident54 Ų5438.3 Ų38.329%0.28922%0.219SC..Hα-helixtrans-61.6-41.4175.5-68.2-22.3000109E101 I106 L107 D108 K300E101-D104 PolarHBondContact O-N 3.43Å; D104-I106 VanDerWaalsContact C-N 3.26Å; D104-I106 PolarHBondContact O-N 3.18Å; D104-L107 WeakPolarHBondContact O-CB 3.21Å; D104-L107 PolarHBondContact O-N 3.35Å; D104-D108 PolarHBondContact O-N 2.98Å; D104-D108 VanDerWaalsContact O-N 3.13Å; D104-K300 IonicContact OD1-NZ 2.86Å; D104-K300 PolarHBondContact OD1-NZ 2.85Å; D104-K300 VanDerWaalsContact OD1-NZ 3.09Å; D104-K300 IonicContact OD2-NZ 2.61Å; D104-K300 PolarHBondContact OD2-NZ 3.42Å
105R84.8Confident87.9Confident25 Ų2540.8 Ų40.89%0.09423%0.23CC..Hα-helixtrans-66.3-14.6172-74.2-68.6-63.1-82.55.8115.9G99 E101 F103 R109 Y148 S150 Q151 E152G99-R105 VanDerWaalsContact O-CD 3.25Å; G99-R105 WeakPolarHBondContact O-CD 3.25Å; G99-R105 WeakPolarHBondContact O-CG 3.15Å; G99-R105 PolarHBondContact O-NH1 3.48Å; E101-R105 WeakPolarHBondContact O-CB 3.45Å; E101-R105 PolarHBondContact O-N 3.38Å; E101-R105 VanDerWaalsContact O-N 3.15Å; F103-R105 VanDerWaalsContact C-N 3.27Å; F103-R105 PolarHBondContact O-N 3.39Å; R105-R109 WeakPolarHBondContact O-CG 3.28Å; R105-Y148 HydrophobicContact CB-CD2 3.64Å; R105-Y148 HydrophobicContact CB-CE2 3.49Å; R105-Y148 VanDerWaalsContact CB-CE2 3.49Å; R105-Y148 HydrophobicContact CG-CD2 3.64Å; R105-Y148 HydrophobicContact CG-CE2 4.05Å; R105-Y148 HydrophobicContact CG-CG 4.32Å; R105-S150 PolarHBondContact NH1-O 2.99Å; R105-Q151 PolarHBondContact NH2-O 2.88Å; R105-E152 PolarHBondContact NH2-O 3.11Å
106I85Confident88.1Confident0 Ų039 Ų390%022%0.223CC..Hα-helixtrans-81.4-39.6169-73.5165.3000110.1L102 F103 D104 D108 R109 Y112 L209 Y285 I292L102-I106 HydrophobicContact CD1-CD1 4.16Å; L102-I106 HydrophobicContact CG-CD1 4.43Å; L102-I106 WeakPolarHBondContact O-CG1 3.09Å; L102-I106 PolarHBondContact O-N 3.3Å; F103-I106 HydrophobicContact CD1-CD1 3.97Å; F103-I106 HydrophobicContact CE1-CD1 4.31Å; F103-I106 WeakPolarHBondContact O-CB 3.13Å; F103-I106 PolarHBondContact O-N 3.41Å; D104-I106 VanDerWaalsContact C-N 3.26Å; D104-I106 PolarHBondContact O-N 3.18Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 2.78Å; I106-R109 PolarHBondContact O-N 3.2Å; I106-Y112 HydrophobicContact CD1-CE2 3.72Å; I106-Y112 HydrophobicContact CG1-CD2 4.07Å; I106-Y112 HydrophobicContact CG1-CE2 3.72Å; I106-Y112 HydrophobicContact CG2-CD1 4.33Å; I106-Y112 HydrophobicContact CG2-CD2 4.06Å; I106-Y112 HydrophobicContact CG2-CE2 4.27Å; I106-Y112 HydrophobicContact CG2-CG 4.08Å; I106-L209 HydrophobicContact CD1-CD2 3.41Å; I106-L209 VanDerWaalsContact CD1-CD2 3.41Å; I106-Y285 WeakPolarHBondContact O-CE2 3.12Å; I106-I292 HydrophobicContact CG2-CD1 4.06Å
107L86.6Confident88.4Confident36 Ų3637.4 Ų37.419%0.18821%0.214CC..Hα-helixtrans-63.7-32.3176.3-61.6-179.6000112.5F103 D104 Y285 I292 Q293F103-L107 PolarHBondContact O-N 2.71Å; F103-L107 VanDerWaalsContact O-N 3.15Å; D104-L107 WeakPolarHBondContact O-CB 3.21Å; D104-L107 PolarHBondContact O-N 3.35Å; L107-Y285 PolarHBondContact O-OH 3.38Å; L107-I292 HydrophobicContact CD1-CG2 4.01Å; L107-I292 HydrophobicContact CD2-CB 4.11Å; L107-I292 HydrophobicContact CD2-CG2 3.94Å; L107-I292 HydrophobicContact CG-CG2 4.1Å; L107-Q293 HydrophobicContact CD1-CG 3.97Å; L107-Q293 HydrophobicContact CD2-CG 3.9Å
108D85.4Confident88.9Confident123 Ų12336.3 Ų36.366%0.65821%0.208SC*.THydrogen-bonded Turntrans-72.7-24.2-179.3-66-31000114.5D104 I106D104-D108 PolarHBondContact O-N 2.98Å; D104-D108 VanDerWaalsContact O-N 3.13Å; I106-D108 VanDerWaalsContact C-N 3.28Å; I106-D108 PolarHBondContact O-N 2.78Å
109R80.9Confident89.3Confident90 Ų9039.9 Ų39.934%0.3421%0.21SC..THydrogen-bonded Turntrans-80.3-24.1-169.7-72.4179.788.81283.9115.1R105 I106 V111 E153R105-R109 WeakPolarHBondContact O-CG 3.28Å; I106-R109 PolarHBondContact O-N 3.2Å; R109-V111 PolarHBondContact O-N 3.08Å; R109-E153 IonicContact CZ-OE1 3.51Å; R109-E153 IonicContact NE-OE1 3.46Å; R109-E153 PolarHBondContact NH1-O 3.28Å; R109-E153 IonicContact NH2-OE1 2.86Å; R109-E153 PolarHBondContact NH2-OE1 3.1Å
110G84.4Confident89.8Confident37 Ų3740.1 Ų40.138%0.38121%0.211SC..SBendtrans69.2-11.1-17900000116.9Y285G110-Y285 WeakPolarHBondContact O-CD1 3.31Å
111V91.2Very high90.5Very high97 Ų9738.3 Ų38.359%0.58819%0.193SC*.  trans-143.9138.5175.3-179.20000108.3R109 D283R109-V111 PolarHBondContact O-N 3.08Å; V111-D283 HydrophobicContact CG1-CB 4.38Å
112Y95Very high91.1Very high4 Ų438.8 Ų38.82%0.01620%0.195CC..  trans-162.4131.5-173.9178.9-101.1000112.2I106 D116 A117 L209 D283 I284 Y285 V288I106-Y112 HydrophobicContact CD1-CE2 3.72Å; I106-Y112 HydrophobicContact CG1-CD2 4.07Å; I106-Y112 HydrophobicContact CG1-CE2 3.72Å; I106-Y112 HydrophobicContact CG2-CD1 4.33Å; I106-Y112 HydrophobicContact CG2-CD2 4.06Å; I106-Y112 HydrophobicContact CG2-CE2 4.27Å; I106-Y112 HydrophobicContact CG2-CG 4.08Å; Y112-D116 HydrophobicContact CD2-CB 3.95Å; Y112-D116 HydrophobicContact CE2-CB 3.94Å; Y112-A117 WeakPolarHBondContact OH-CA 3.43Å; Y112-A117 WeakPolarHBondContact OH-CB 3.45Å; Y112-L209 WeakPolarHBondContact CE1-O 3.38Å; Y112-L209 WeakPolarHBondContact OH-CD2 3.24Å; Y112-L209 PolarHBondContact OH-O 3.46Å; Y112-D283 PolarHBondContact N-OD1 2.83Å; Y112-I284 HydrophobicContact CD1-CD1 4.33Å; Y112-I284 HydrophobicContact CD1-CG1 4.02Å; Y112-I284 HydrophobicContact CE1-CD1 4.31Å; Y112-I284 HydrophobicContact CE1-CG1 4.5Å; Y112-I284 VanDerWaalsContact O-CG1 3.29Å; Y112-I284 WeakPolarHBondContact O-CG1 3.17Å; Y112-I284 PolarHBondContact O-N 2.93Å; Y112-Y285 PolarHBondContact O-N 2.84Å; Y112-V288 HydrophobicContact CD1-CG1 4.43Å; Y112-V288 HydrophobicContact CE1-CG1 4.29Å
113S96.6Very high91.7Very high11 Ų1140.7 Ų40.78%0.07720%0.204CC..BIsolated β-bridgetrans-125.7168-175.475.60000114.1K115 D116 A117 Q282S113-K115 PolarHBondContact O-N 2.85Å; S113-K115 VanDerWaalsContact O-N 3.17Å; S113-K115 PolarHBondContact OG-N 2.79Å; S113-D116 WeakPolarHBondContact CB-OD2 3.32Å; S113-D116 PolarHBondContact N-OD2 3.04Å; S113-D116 PolarHBondContact O-N 2.75Å; S113-D116 PolarHBondContact OG-OD2 2.69Å; S113-A117 PolarHBondContact O-N 3.04Å; S113-Q282 VanDerWaalsContact CB-O 3.3Å; S113-Q282 WeakPolarHBondContact CB-O 3.1Å
114E97.8Very high92.4Very high2 Ų240.7 Ų40.71%0.00920%0.204CC..Hα-helixtrans-52.6-33.4169.9-88.6-174.8-12800112.9D116 S118 L210 S244 W273 A279 R280E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.27Å; E114-S118 VanDerWaalsContact O-CB 3.25Å; E114-S118 WeakPolarHBondContact O-CB 3.46Å; E114-S118 PolarHBondContact O-N 2.79Å; E114-L210 HydrophobicContact CG-CD2 3.88Å; E114-S244 VanDerWaalsContact OE1-CB 3.25Å; E114-S244 WeakPolarHBondContact OE1-CB 3.38Å; E114-S244 PolarHBondContact OE1-N 2.95Å; E114-S244 PolarHBondContact OE1-OG 3.02Å; E114-S244 WeakPolarHBondContact OE2-CB 3.39Å; E114-S244 PolarHBondContact OE2-OG 3.25Å; E114-W273 HydrophobicContact CB-CZ2 4.5Å; E114-W273 WeakPolarHBondContact O-CZ2 3.16Å; E114-W273 PolarHBondContact OE2-NE1 3.46Å; E114-A279 HydrophobicContact CB-CB 4.27Å; E114-R280 HydrophobicContact CB-CB 4.23Å; E114-R280 WeakPolarHBondContact CB-O 3.43Å; E114-R280 HydrophobicContact CG-CB 4.39Å; E114-R280 PolarHBondContact N-O 3.31Å; E114-R280 WeakPolarHBondContact OE1-CD 3.25Å; E114-R280 WeakPolarHBondContact OE1-CG 3.38Å; E114-R280 PolarHBondContact OE2-N 2.87Å
115K96.8Very high93Very high75 Ų7538.1 Ų38.133%0.32619%0.19SC..Hα-helixtrans-66.3-31.1177.1-75.2-176.7-171.81680112.4S113 S118 R119 A279 R280 S281S113-K115 PolarHBondContact O-N 2.85Å; S113-K115 VanDerWaalsContact O-N 3.17Å; S113-K115 PolarHBondContact OG-N 2.79Å; K115-S118 PolarHBondContact O-N 2.96Å; K115-R119 WeakPolarHBondContact O-CB 3.38Å; K115-R119 VanDerWaalsContact O-CD 3.31Å; K115-R119 WeakPolarHBondContact O-CD 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.4Å; K115-R119 PolarHBondContact O-N 2.96Å; K115-A279 WeakPolarHBondContact CE-O 3.23Å; K115-A279 HydrophobicContact CG-CB 3.78Å; K115-A279 WeakPolarHBondContact CG-O 3.48Å; K115-R280 PolarHBondContact N-O 3.04Å; K115-S281 WeakPolarHBondContact CD-OG 3.32Å; K115-S281 VanDerWaalsContact CE-OG 3.27Å; K115-S281 WeakPolarHBondContact CE-OG 3.21Å; K115-S281 PolarHBondContact NZ-OG 3.46Å
116D94.9Very high93.6Very high33 Ų3340 Ų4018%0.17620%0.2CC..Hα-helixtrans-78.3-41.4-179-51.7-54.8000110.4Y112 S113 E114 S118 R119 V120Y112-D116 HydrophobicContact CD2-CB 3.95Å; Y112-D116 HydrophobicContact CE2-CB 3.94Å; S113-D116 WeakPolarHBondContact CB-OD2 3.32Å; S113-D116 PolarHBondContact N-OD2 3.04Å; S113-D116 PolarHBondContact O-N 2.75Å; S113-D116 PolarHBondContact OG-OD2 2.69Å; E114-D116 VanDerWaalsContact C-N 3.27Å; E114-D116 PolarHBondContact O-N 3.27Å; D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 2.79Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 IonicContact OD1-CZ 3.53Å; D116-R119 IonicContact OD1-NH1 2.69Å; D116-R119 PolarHBondContact OD1-NH1 2.86Å; D116-V120 WeakPolarHBondContact O-CG2 3.37Å; D116-V120 PolarHBondContact O-N 3.25Å; D116-V120 VanDerWaalsContact O-N 3.1Å
117A96.3Very high94.1Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-54.5-46.8165.300000111.8Y112 S113 V120 I121 L209 L210 W273Y112-A117 WeakPolarHBondContact OH-CA 3.43Å; Y112-A117 WeakPolarHBondContact OH-CB 3.45Å; S113-A117 PolarHBondContact O-N 3.04Å; A117-V120 PolarHBondContact O-N 2.89Å; A117-I121 WeakPolarHBondContact O-CG1 3.24Å; A117-I121 PolarHBondContact O-N 2.78Å; A117-L209 HydrophobicContact CB-CB 4.28Å; A117-L210 HydrophobicContact CB-CD2 3.59Å; A117-L210 HydrophobicContact CB-CG 4.38Å; A117-W273 HydrophobicContact CB-CH2 4.04Å; A117-W273 HydrophobicContact CB-CZ2 4.15Å
118S98.1Very high94.5Very high4 Ų438.3 Ų38.33%0.02819%0.191CC..Hα-helixtrans-63.2-41.4179.2-176.80000112.8E114 K115 D116 V120 I121 Q122 W273 I274E114-S118 VanDerWaalsContact O-CB 3.25Å; E114-S118 WeakPolarHBondContact O-CB 3.46Å; E114-S118 PolarHBondContact O-N 2.79Å; K115-S118 PolarHBondContact O-N 2.96Å; D116-S118 VanDerWaalsContact C-N 3.31Å; D116-S118 PolarHBondContact O-N 2.79Å; S118-V120 VanDerWaalsContact C-N 3.35Å; S118-I121 PolarHBondContact O-N 2.99Å; S118-Q122 WeakPolarHBondContact O-CB 3.37Å; S118-Q122 PolarHBondContact O-N 3.35Å; S118-W273 PolarHBondContact OG-O 2.77Å; S118-W273 VanDerWaalsContact OG-O 3.05Å; S118-I274 WeakPolarHBondContact OG-CA 3.29Å
119R95.8Very high95Very high147 Ų14732.7 Ų32.756%0.55516%0.162SC*.Hα-helixtrans-63.3-37.8176.3-76.3158166.8171.2-12.3112.6K115 D116 Q123K115-R119 WeakPolarHBondContact O-CB 3.38Å; K115-R119 VanDerWaalsContact O-CD 3.31Å; K115-R119 WeakPolarHBondContact O-CD 3.25Å; K115-R119 WeakPolarHBondContact O-CG 3.4Å; K115-R119 PolarHBondContact O-N 2.96Å; D116-R119 PolarHBondContact O-N 3.48Å; D116-R119 IonicContact OD1-CZ 3.53Å; D116-R119 IonicContact OD1-NH1 2.69Å; D116-R119 PolarHBondContact OD1-NH1 2.86Å; R119-Q123 PolarHBondContact O-N 3.49Å; R119-Q123 PolarHBondContact O-NE2 2.85Å
120V95.3Very high95.6Very high6 Ų630.8 Ų30.84%0.03616%0.155CC..Hα-helixtrans-66.6-51.4173.7167.40000110.1L102 D116 A117 S118 Q122 Q123 V124 I157 L209L102-V120 HydrophobicContact CD1-CB 4.47Å; L102-V120 HydrophobicContact CD1-CG1 3.72Å; L102-V120 HydrophobicContact CD1-CG2 3.96Å; L102-V120 HydrophobicContact CD2-CG1 3.87Å; L102-V120 HydrophobicContact CG-CG1 4.48Å; D116-V120 WeakPolarHBondContact O-CG2 3.37Å; D116-V120 PolarHBondContact O-N 3.25Å; D116-V120 VanDerWaalsContact O-N 3.1Å; A117-V120 PolarHBondContact O-N 2.89Å; S118-V120 VanDerWaalsContact C-N 3.35Å; V120-Q122 VanDerWaalsContact C-N 3.29Å; V120-Q122 PolarHBondContact O-N 3.37Å; V120-Q123 PolarHBondContact O-N 3.19Å; V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 2.96Å; V120-V124 VanDerWaalsContact O-N 3.1Å; V120-I157 HydrophobicContact CB-CG1 4.47Å; V120-I157 HydrophobicContact CG1-CD1 4.27Å; V120-I157 HydrophobicContact CG1-CG1 4.2Å; V120-I157 HydrophobicContact CG2-CD1 4.2Å; V120-I157 HydrophobicContact CG2-CG1 4.16Å; V120-L209 HydrophobicContact CG1-CD1 4.18Å
121I97.9Very high95.8Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-65-32.3-178.1-66.7-61.3000112.1A117 S118 V124 L125 I202 I205 T206 L209 F250 W273 I274A117-I121 WeakPolarHBondContact O-CG1 3.24Å; A117-I121 PolarHBondContact O-N 2.78Å; S118-I121 PolarHBondContact O-N 2.99Å; I121-V124 PolarHBondContact O-N 2.93Å; I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 HydrophobicContact CG2-CG 4.14Å; I121-L125 WeakPolarHBondContact O-CB 3.1Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.25Å; I121-I202 HydrophobicContact CD1-CG2 4.26Å; I121-I202 HydrophobicContact CG2-CG2 4.06Å; I121-I205 HydrophobicContact CD1-CG2 4.27Å; I121-T206 VanDerWaalsContact CD1-OG1 3.27Å; I121-T206 WeakPolarHBondContact CD1-OG1 3.25Å; I121-T206 HydrophobicContact CG1-CG2 4.17Å; I121-T206 WeakPolarHBondContact CG1-OG1 3.38Å; I121-L209 HydrophobicContact CD1-CD1 3.68Å; I121-L209 HydrophobicContact CG1-CD1 3.88Å; I121-F250 HydrophobicContact CG2-CE1 3.92Å; I121-F250 HydrophobicContact CG2-CZ 3.83Å; I121-W273 HydrophobicContact CB-CZ3 4.42Å; I121-I274 HydrophobicContact CB-CD1 4.16Å; I121-I274 HydrophobicContact CG2-CD1 3.66Å
122Q98Very high95.8Very high70 Ų7024.6 Ų24.633%0.32711%0.109SC..Hα-helixtrans-57.3-53.2172.4-173.5-172.7-21.100111.6S118 V120 V124 L125 E126 L269 I274S118-Q122 WeakPolarHBondContact O-CB 3.37Å; S118-Q122 PolarHBondContact O-N 3.35Å; V120-Q122 VanDerWaalsContact C-N 3.29Å; V120-Q122 PolarHBondContact O-N 3.37Å; Q122-V124 VanDerWaalsContact C-N 3.29Å; Q122-V124 PolarHBondContact O-N 3.38Å; Q122-L125 WeakPolarHBondContact O-CB 3.33Å; Q122-L125 PolarHBondContact O-N 3.12Å; Q122-L125 VanDerWaalsContact O-N 3.12Å; Q122-E126 WeakPolarHBondContact CG-OE1 3.17Å; Q122-E126 PolarHBondContact NE2-OE1 2.83Å; Q122-E126 WeakPolarHBondContact O-CG 3.28Å; Q122-E126 PolarHBondContact O-N 2.75Å; Q122-L269 HydrophobicContact CG-CD2 4.15Å; Q122-I274 HydrophobicContact CB-CG2 4Å; Q122-I274 HydrophobicContact CG-CG2 3.99Å
123Q97.2Very high95.5Very high39 Ų3930.9 Ų30.918%0.18214%0.139CC..Hα-helixtrans-61.9-37.2179.4-71.9167.980.500112.2N76 R119 V120 E126 A127 K156 I157N76-Q123 PolarHBondContact ND2-OE1 2.96Å; N76-Q123 VanDerWaalsContact ND2-OE1 3.1Å; R119-Q123 PolarHBondContact O-N 3.49Å; R119-Q123 PolarHBondContact O-NE2 2.85Å; V120-Q123 PolarHBondContact O-N 3.19Å; Q123-E126 PolarHBondContact O-N 2.91Å; Q123-A127 WeakPolarHBondContact O-CB 3.43Å; Q123-A127 PolarHBondContact O-N 3.42Å; Q123-K156 VanDerWaalsContact OE1-CA 3.31Å; Q123-I157 HydrophobicContact CB-CB 4.19Å
124V97.2Very high94.8Very high1 Ų134 Ų341%0.00616%0.155CC..Hα-helixtrans-65.6-41.8174.9173.20000111.1V120 I121 Q122 V128 I146 I157 I159 I202V120-V124 WeakPolarHBondContact O-CG2 3.4Å; V120-V124 PolarHBondContact O-N 2.96Å; V120-V124 VanDerWaalsContact O-N 3.1Å; I121-V124 PolarHBondContact O-N 2.93Å; Q122-V124 VanDerWaalsContact C-N 3.29Å; Q122-V124 PolarHBondContact O-N 3.38Å; V124-V128 WeakPolarHBondContact O-CB 3.21Å; V124-V128 VanDerWaalsContact O-CG2 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 2.93Å; V124-I146 HydrophobicContact CG1-CD1 4.36Å; V124-I146 HydrophobicContact CG2-CD1 4.04Å; V124-I146 HydrophobicContact CG2-CG2 4.08Å; V124-I157 HydrophobicContact CG2-CG2 4.03Å; V124-I159 HydrophobicContact CG1-CD1 4.09Å; V124-I202 HydrophobicContact CG1-CD1 4.06Å; V124-I202 HydrophobicContact CG1-CG1 3.87Å
125L98.1Very high93.9Very high0 Ų036.7 Ų36.70%018%0.183CC..Hα-helixtrans-66.4-39.8175.9-75.3170.8000112.7I121 Q122 V128 S129 I202 F250 M254 T265 A268 L269 I274I121-L125 HydrophobicContact CG2-CD1 3.96Å; I121-L125 HydrophobicContact CG2-CG 4.14Å; I121-L125 WeakPolarHBondContact O-CB 3.1Å; I121-L125 WeakPolarHBondContact O-CG 3.46Å; I121-L125 PolarHBondContact O-N 3.25Å; Q122-L125 WeakPolarHBondContact O-CB 3.33Å; Q122-L125 PolarHBondContact O-N 3.12Å; Q122-L125 VanDerWaalsContact O-N 3.12Å; L125-V128 PolarHBondContact O-N 3.46Å; L125-S129 WeakPolarHBondContact O-CB 3.24Å; L125-S129 PolarHBondContact O-N 2.81Å; L125-I202 HydrophobicContact CD2-CD1 4.06Å; L125-I202 HydrophobicContact CD2-CG2 4.17Å; L125-I202 HydrophobicContact CG-CG2 4.49Å; L125-F250 HydrophobicContact CD1-CE2 4.32Å; L125-F250 HydrophobicContact CD1-CZ 4.06Å; L125-M254 HydrophobicContact CD2-CE 3.75Å; L125-T265 HydrophobicContact CD2-CG2 3.92Å; L125-A268 HydrophobicContact CD1-CB 3.72Å; L125-A268 HydrophobicContact CD2-CB 3.56Å; L125-A268 HydrophobicContact CG-CB 4.3Å; L125-L269 HydrophobicContact CB-CD1 4.36Å; L125-L269 HydrophobicContact CB-CD2 3.54Å; L125-L269 HydrophobicContact CB-CG 3.79Å; L125-L269 HydrophobicContact CD1-CD2 4.06Å; L125-L269 HydrophobicContact CD1-CG 4.27Å; L125-L269 HydrophobicContact CG-CD2 4.47Å; L125-I274 HydrophobicContact CD1-CD1 4.02Å; L125-I274 HydrophobicContact CD1-CG1 4.03Å; L125-I274 HydrophobicContact CD1-CG2 4.31Å
126E97.6Very high93.2Very high65 Ų6534.2 Ų34.230%0.30417%0.173SC..Hα-helixtrans-62.4-51.1175.8-78.4158176.800110.6Q122 Q123 V128 S129 Y130 L269Q122-E126 WeakPolarHBondContact CG-OE1 3.17Å; Q122-E126 PolarHBondContact NE2-OE1 2.83Å; Q122-E126 WeakPolarHBondContact O-CG 3.28Å; Q122-E126 PolarHBondContact O-N 2.75Å; Q123-E126 PolarHBondContact O-N 2.91Å; E126-V128 PolarHBondContact O-N 3.35Å; E126-S129 PolarHBondContact O-N 3.23Å; E126-Y130 PolarHBondContact O-N 3.38Å; E126-L269 HydrophobicContact CG-CD1 4.22Å; E126-L269 HydrophobicContact CG-CD2 3.84Å
127A95.2Very high92.6Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-55.5-47.6173.900000113.1N76 V77 Q123 Y130 L131 I159N76-A127 HydrophobicContact CB-CB 4.02Å; V77-A127 HydrophobicContact CG2-CB 3.66Å; Q123-A127 WeakPolarHBondContact O-CB 3.43Å; Q123-A127 PolarHBondContact O-N 3.42Å; A127-Y130 PolarHBondContact O-N 3.29Å; A127-L131 WeakPolarHBondContact O-CG 3.04Å; A127-L131 PolarHBondContact O-N 2.98Å; A127-I159 HydrophobicContact CB-CD1 3.52Å; A127-I159 HydrophobicContact CB-CG1 4.04Å
128V94.6Very high92Very high0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-73.7-33.8-177.5175.40000111.6V124 L125 E126 L131 H132 L141 I159 D198 I202 T265V124-V128 WeakPolarHBondContact O-CB 3.21Å; V124-V128 VanDerWaalsContact O-CG2 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.29Å; V124-V128 PolarHBondContact O-N 2.93Å; L125-V128 PolarHBondContact O-N 3.46Å; E126-V128 PolarHBondContact O-N 3.35Å; V128-L131 PolarHBondContact O-N 2.61Å; V128-H132 VanDerWaalsContact CG1-NE2 3.35Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.44Å; V128-H132 VanDerWaalsContact O-CB 3.29Å; V128-H132 WeakPolarHBondContact O-CB 3.47Å; V128-H132 PolarHBondContact O-CD2 3.23Å; V128-H132 VanDerWaalsContact O-CD2 3.23Å; V128-H132 PolarHBondContact O-N 3.49Å; V128-L141 HydrophobicContact CG2-CD1 3.81Å; V128-I159 HydrophobicContact CG2-CD1 3.63Å; V128-D198 HydrophobicContact CG1-CB 3.89Å; V128-I202 HydrophobicContact CB-CD1 4.15Å; V128-I202 HydrophobicContact CG1-CD1 4.17Å; V128-I202 HydrophobicContact CG2-CD1 4.1Å; V128-T265 HydrophobicContact CB-CG2 4.13Å; V128-T265 HydrophobicContact CG1-CG2 3.84Å
129S95.6Very high91.2Very high6 Ų638.9 Ų38.94%0.04219%0.191CC..Hα-helixtrans-62.8-43169.8-170.60000111.2L125 E126 L131 H132 Q133 T265 E266L125-S129 WeakPolarHBondContact O-CB 3.24Å; L125-S129 PolarHBondContact O-N 2.81Å; E126-S129 PolarHBondContact O-N 3.23Å; S129-L131 PolarHBondContact O-N 2.71Å; S129-H132 PolarHBondContact O-N 2.87Å; S129-Q133 WeakPolarHBondContact O-CB 3.32Å; S129-Q133 WeakPolarHBondContact O-CG 3.42Å; S129-Q133 PolarHBondContact O-N 2.77Å; S129-Q133 PolarHBondContact OG-NE2 3.08Å; S129-T265 WeakPolarHBondContact CA-OG1 3.25Å; S129-T265 VanDerWaalsContact CB-OG1 3.25Å; S129-T265 WeakPolarHBondContact CB-OG1 3.31Å; S129-T265 PolarHBondContact OG-OG1 2.69Å; S129-E266 PolarHBondContact OG-OE1 3.24Å
130Y93.7Very high90.3Very high50 Ų5033.7 Ų33.720%0.19617%0.174CC..Hα-helixtrans-59.9-46.7174.5175.6-86.6000112.3K71 I72 Q73 H74 E126 A127 H132 Q133 N134K71-Y130 PolarHBondContact O-OH 2.89Å; I72-Y130 HydrophobicContact CB-CE1 4.44Å; I72-Y130 HydrophobicContact CD1-CD1 4.41Å; I72-Y130 HydrophobicContact CD1-CE1 3.63Å; I72-Y130 HydrophobicContact CG2-CE1 4.02Å; Q73-Y130 PolarHBondContact N-OH 3.22Å; Q73-Y130 PolarHBondContact O-OH 3.23Å; H74-Y130 HydrophobicContact CB-CD1 3.6Å; H74-Y130 HydrophobicContact CB-CD2 4.17Å; H74-Y130 HydrophobicContact CB-CE1 3.83Å; H74-Y130 HydrophobicContact CB-CE2 4.35Å; H74-Y130 HydrophobicContact CB-CG 3.79Å; H74-Y130 AromaticContact CD2-CD2 3.73Å; H74-Y130 AromaticContact CD2-CG 3.6Å; H74-Y130 AromaticContact CG-CG 3.84Å; E126-Y130 PolarHBondContact O-N 3.38Å; A127-Y130 PolarHBondContact O-N 3.29Å; Y130-H132 VanDerWaalsContact C-N 3.32Å; Y130-H132 PolarHBondContact O-N 2.63Å; Y130-Q133 PolarHBondContact O-N 3.3Å; Y130-N134 WeakPolarHBondContact CE1-ND2 3.46Å; Y130-N134 PolarHBondContact O-N 2.7Å; Y130-N134 VanDerWaalsContact O-N 3.1Å; Y130-N134 PolarHBondContact O-ND2 2.96Å
131L89.7Confident89.9Confident0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-57.9-46174.6-71.2175000111.1I72 V77 A127 V128 S129 N134 G135 I136 F162I72-L131 HydrophobicContact CD1-CD2 4.27Å; I72-L131 HydrophobicContact CG2-CD2 4.17Å; V77-L131 HydrophobicContact CG1-CD2 4.33Å; V77-L131 HydrophobicContact CG2-CG 4.44Å; A127-L131 WeakPolarHBondContact O-CG 3.04Å; A127-L131 PolarHBondContact O-N 2.98Å; V128-L131 PolarHBondContact O-N 2.61Å; S129-L131 PolarHBondContact O-N 2.71Å; L131-N134 CarbonylContact O-C 3.55Å; L131-N134 PolarHBondContact O-N 3.27Å; L131-G135 PolarHBondContact O-N 2.91Å; L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CB-CG2 4.44Å; L131-I136 HydrophobicContact CD2-CB 4.32Å; L131-I136 HydrophobicContact CD2-CD1 3.89Å; L131-I136 HydrophobicContact CD2-CG2 4.24Å; L131-I136 WeakPolarHBondContact O-CB 3.25Å; L131-I136 PolarHBondContact O-N 3.15Å; L131-F162 HydrophobicContact CD1-CB 3.98Å; L131-F162 HydrophobicContact CD1-CD2 4.37Å; L131-F162 HydrophobicContact CD1-CG 4.26Å; L131-F162 HydrophobicContact CD2-CD2 3.62Å; L131-F162 HydrophobicContact CD2-CE2 3.97Å; L131-F162 HydrophobicContact CD2-CG 4.28Å
132H89.6Confident89.2Confident4 Ų435.3 Ų35.32%0.01918%0.18CC..Hα-helixtrans-63.3-41.9178.9-75.2-170.4000112.5V128 S129 Y130 N134 G135 I136 K195 D198V128-H132 VanDerWaalsContact CG1-NE2 3.35Å; V128-H132 WeakPolarHBondContact CG1-NE2 3.44Å; V128-H132 VanDerWaalsContact O-CB 3.29Å; V128-H132 WeakPolarHBondContact O-CB 3.47Å; V128-H132 PolarHBondContact O-CD2 3.23Å; V128-H132 VanDerWaalsContact O-CD2 3.23Å; V128-H132 PolarHBondContact O-N 3.49Å; S129-H132 PolarHBondContact O-N 2.87Å; Y130-H132 VanDerWaalsContact C-N 3.32Å; Y130-H132 PolarHBondContact O-N 2.63Å; H132-N134 VanDerWaalsContact C-N 3.26Å; H132-N134 PolarHBondContact O-N 2.84Å; H132-G135 PolarHBondContact O-N 3.45Å; H132-I136 WeakPolarHBondContact CA-O 3.4Å; H132-I136 PolarHBondContact CD2-O 3.27Å; H132-I136 VanDerWaalsContact CD2-O 3.3Å; H132-K195 HydrophobicContact CB-CD 3.82Å; H132-K195 HydrophobicContact CB-CG 4.21Å; H132-K195 PolarHBondContact CE1-O 3.3Å; H132-K195 WeakPolarHBondContact O-CE 3.49Å; H132-K195 PolarHBondContact O-NZ 3.49Å; H132-D198 IonicContact CD2-OD2 2.73Å; H132-D198 IonicContact CE1-OD2 2.74Å; H132-D198 IonicContact NE2-OD2 3.2Å; H132-D198 PolarHBondContact NE2-OD2 3.27Å
133Q88.6Confident88.5Confident135 Ų13532 Ų3263%0.63117%0.165SC*.Hα-helixtrans-62.3-36.4176.4-72.1170.343.600111.2S129 Y130 G135S129-Q133 WeakPolarHBondContact O-CB 3.32Å; S129-Q133 WeakPolarHBondContact O-CG 3.42Å; S129-Q133 PolarHBondContact O-N 2.77Å; S129-Q133 PolarHBondContact OG-NE2 3.08Å; Y130-Q133 PolarHBondContact O-N 3.3Å; Q133-G135 PolarHBondContact O-N 2.94Å
134N83.3Confident87.7Confident77 Ų7732.6 Ų32.641%0.41217%0.168SC..THydrogen-bonded Turntrans-79.97173-72.3-82.3000114.3I72 Y130 L131 H132 I136I72-N134 HydrophobicContact CD1-CB 3.84Å; Y130-N134 WeakPolarHBondContact CE1-ND2 3.46Å; Y130-N134 PolarHBondContact O-N 2.7Å; Y130-N134 VanDerWaalsContact O-N 3.1Å; Y130-N134 PolarHBondContact O-ND2 2.96Å; L131-N134 CarbonylContact O-C 3.55Å; L131-N134 PolarHBondContact O-N 3.27Å; H132-N134 VanDerWaalsContact C-N 3.26Å; H132-N134 PolarHBondContact O-N 2.84Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 3.44Å
135G79Confident87.2Confident59 Ų5933 Ų3361%0.60817%0.17SC*.THydrogen-bonded Turntrans81.14.4176.400000115.5L131 H132 Q133L131-G135 PolarHBondContact O-N 2.91Å; H132-G135 PolarHBondContact O-N 3.45Å; Q133-G135 PolarHBondContact O-N 2.94Å
136I80.8Confident86.8Confident22 Ų2233 Ų3311%0.11317%0.17CC..  trans-82151.4176.2-55.7177.9000109.8V68 I72 L131 H132 N134V68-I136 HydrophobicContact CG1-CD1 3.68Å; V68-I136 HydrophobicContact CG1-CG1 3.89Å; I72-I136 HydrophobicContact CD1-CD1 3.48Å; I72-I136 VanDerWaalsContact CD1-CD1 3.48Å; I72-I136 HydrophobicContact CG1-CD1 3.57Å; L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CB-CG2 4.44Å; L131-I136 HydrophobicContact CD2-CB 4.32Å; L131-I136 HydrophobicContact CD2-CD1 3.89Å; L131-I136 HydrophobicContact CD2-CG2 4.24Å; L131-I136 WeakPolarHBondContact O-CB 3.25Å; L131-I136 PolarHBondContact O-N 3.15Å; H132-I136 WeakPolarHBondContact CA-O 3.4Å; H132-I136 PolarHBondContact CD2-O 3.27Å; H132-I136 VanDerWaalsContact CD2-O 3.3Å; N134-I136 VanDerWaalsContact C-N 3.33Å; N134-I136 PolarHBondContact O-N 3.44Å
137V82.6Confident86.4Confident27 Ų2731.6 Ų31.616%0.16417%0.165CC..  trans-134.3127.4168.2-176.60000106.2R139 K195 V197 D198V137-R139 HydrophobicContact CB-CG 4.29Å; V137-R139 HydrophobicContact CG1-CG 3.9Å; V137-K195 HydrophobicContact CG2-CG 3.92Å; V137-V197 HydrophobicContact CG1-CG2 4.02Å; V137-D198 WeakPolarHBondContact CA-OD2 3.44Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.23Å
138H84.9Confident86.1Confident0 Ų032.3 Ų32.30%017%0.167CC..  trans-73.3-39.2-169.2-169.9-45.4000112.8D140 L141 I159 S160 F162 S165 D198H138-D140 PolarHBondContact CE1-O 3.42Å; H138-D140 VanDerWaalsContact CE1-O 3.25Å; H138-D140 PolarHBondContact ND1-O 3.32Å; H138-D140 PolarHBondContact O-N 3.1Å; H138-L141 HydrophobicContact CB-CD1 4.36Å; H138-L141 HydrophobicContact CB-CD2 4.46Å; H138-L141 HydrophobicContact CB-CG 3.93Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.29Å; H138-I159 VanDerWaalsContact CD2-CG2 3.46Å; H138-I159 WeakPolarHBondContact CD2-CG2 3.34Å; H138-I159 WeakPolarHBondContact NE2-CG2 3.25Å; H138-S160 PolarHBondContact NE2-O 3.07Å; H138-F162 VanDerWaalsContact CD2-CB 3.45Å; H138-F162 WeakPolarHBondContact CD2-CB 3.35Å; H138-S165 PolarHBondContact O-OG 2.76Å; H138-D198 PolarHBondContact N-OD1 2.99Å; H138-D198 PolarHBondContact N-OD2 2.89Å
139R80Confident85.9Confident109 Ų10937.4 Ų37.441%0.41119%0.187SC..SBendtrans68.2-29.6173.3-55.2163.7-179.7-178-2.9116.7V137 Y193 D198V137-R139 HydrophobicContact CB-CG 4.29Å; V137-R139 HydrophobicContact CG1-CG 3.9Å; R139-Y193 HydrophobicContact CG-CE2 4.05Å; R139-D198 PolarHBondContact N-OD1 3.19Å
140D77.9Confident85.5Confident38 Ų3837.9 Ų37.920%0.20319%0.191CC..  trans-121.255.2176-170.252.1000110.6H138 K142 N145H138-D140 PolarHBondContact CE1-O 3.42Å; H138-D140 VanDerWaalsContact CE1-O 3.25Å; H138-D140 PolarHBondContact ND1-O 3.32Å; H138-D140 PolarHBondContact O-N 3.1Å; D140-K142 PolarHBondContact O-N 2.99Å; D140-K142 IonicContact OD1-NZ 3.27Å; D140-K142 IonicContact OD2-NZ 3.78Å; D140-K142 PolarHBondContact OD2-NZ 3.22Å; D140-N145 PolarHBondContact O-ND2 3.05Å; D140-N145 PolarHBondContact OD2-ND2 2.85Å
141L85.8Confident85.2Confident2 Ų243.1 Ų43.11%0.0122%0.217CC..  trans-77.4120.8170.5-84.8174.4000109.7V128 H138 I159 D198 S201 I202V128-L141 HydrophobicContact CG2-CD1 3.81Å; H138-L141 HydrophobicContact CB-CD1 4.36Å; H138-L141 HydrophobicContact CB-CD2 4.46Å; H138-L141 HydrophobicContact CB-CG 3.93Å; H138-L141 WeakPolarHBondContact CD2-CD2 3.29Å; L141-I159 HydrophobicContact CD2-CD1 4.32Å; L141-I159 HydrophobicContact CD2-CG2 4.26Å; L141-D198 HydrophobicContact CD1-CB 3.7Å; L141-S201 WeakPolarHBondContact O-CB 3.24Å; L141-I202 HydrophobicContact CD1-CD1 4.16Å; L141-I202 HydrophobicContact CD1-CG1 3.89Å
142K84.1Confident85.2Confident37 Ų3749 Ų4916%0.16125%0.245CC..  trans-153.4159.3-179.765.7-175.4-173.2-131.40109.1D140 E144 N145 Y182D140-K142 PolarHBondContact O-N 2.99Å; D140-K142 IonicContact OD1-NZ 3.27Å; D140-K142 IonicContact OD2-NZ 3.78Å; D140-K142 PolarHBondContact OD2-NZ 3.22Å; K142-E144 WeakPolarHBondContact CB-OE2 3.02Å; K142-E144 HydrophobicContact CD-CB 4.39Å; K142-E144 WeakPolarHBondContact CD-OE2 3.46Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 VanDerWaalsContact CG-OE2 3.24Å; K142-E144 WeakPolarHBondContact CG-OE2 3.43Å; K142-E144 PolarHBondContact O-N 2.95Å; K142-N145 VanDerWaalsContact CE-OD1 3.28Å; K142-N145 WeakPolarHBondContact CE-OD1 3.47Å; K142-N145 HydrophobicContact CG-CB 4.25Å; K142-N145 PolarHBondContact O-N 3.26Å; K142-Y182 HydrophobicContact CB-CD2 4.45Å; K142-Y182 HydrophobicContact CB-CG 4.48Å
143P83.1Confident84.8Confident1 Ų155.4 Ų55.41%0.00627%0.274CS..G310 helixtrans-55-35.6-177.8-26.634.8000114.4F103 N145 I146 Y182 I205F103-P143 HydrophobicContact CD2-CB 3.71Å; F103-P143 HydrophobicContact CD2-CG 4.22Å; F103-P143 HydrophobicContact CE2-CB 3.48Å; F103-P143 VanDerWaalsContact CE2-CB 3.48Å; F103-P143 HydrophobicContact CE2-CG 3.52Å; F103-P143 HydrophobicContact CZ-CG 4.47Å; P143-N145 PolarHBondContact O-N 2.98Å; P143-I146 PolarHBondContact O-N 3.18Å; P143-Y182 VanDerWaalsContact CD-CE1 3.4Å; P143-Y182 VanDerWaalsContact CD-CZ 3.45Å; P143-Y182 WeakPolarHBondContact CD-OH 3.33Å; P143-Y182 HydrophobicContact CG-CE1 3.89Å; P143-Y182 WeakPolarHBondContact CG-OH 3.27Å; P143-I205 HydrophobicContact CG-CG1 4.27Å
144E80.9Confident84.7Confident52 Ų5255.9 Ų55.924%0.24328%0.281CS..G310 helixtrans-64.1-20.6179-51.896.212500112.7K142K142-E144 WeakPolarHBondContact CB-OE2 3.02Å; K142-E144 HydrophobicContact CD-CB 4.39Å; K142-E144 WeakPolarHBondContact CD-OE2 3.46Å; K142-E144 HydrophobicContact CG-CB 4.28Å; K142-E144 VanDerWaalsContact CG-OE2 3.24Å; K142-E144 WeakPolarHBondContact CG-OE2 3.43Å; K142-E144 PolarHBondContact O-N 2.95Å
145N85.6Confident85.1Confident8 Ų852.8 Ų52.84%0.04327%0.266CS..G310 helixtrans-96.39.1176.2-65-8.5000112.5D140 K142 P143 S160D140-N145 PolarHBondContact O-ND2 3.05Å; D140-N145 PolarHBondContact OD2-ND2 2.85Å; K142-N145 VanDerWaalsContact CE-OD1 3.28Å; K142-N145 WeakPolarHBondContact CE-OD1 3.47Å; K142-N145 HydrophobicContact CG-CB 4.25Å; K142-N145 PolarHBondContact O-N 3.26Å; P143-N145 PolarHBondContact O-N 2.98Å; N145-S160 WeakPolarHBondContact CA-OG 3.48Å; N145-S160 PolarHBondContact O-N 3.04Å; N145-S160 PolarHBondContact O-OG 3.43Å
146I89.2Confident85.7Confident0 Ų052.6 Ų52.60%025%0.248CC..EExtended strand (participates in β ladder)trans-122104.4179.5-55.8177.7000108.6L102 V124 P143 I157 I205L102-I146 HydrophobicContact CB-CG2 4.38Å; L102-I146 WeakPolarHBondContact CB-O 3.38Å; L102-I146 HydrophobicContact CD2-CB 4.31Å; L102-I146 HydrophobicContact CD2-CG2 3.93Å; L102-I146 PolarHBondContact N-O 3.35Å; V124-I146 HydrophobicContact CG1-CD1 4.36Å; V124-I146 HydrophobicContact CG2-CD1 4.04Å; V124-I146 HydrophobicContact CG2-CG2 4.08Å; P143-I146 PolarHBondContact O-N 3.18Å; I146-I157 HydrophobicContact CG2-CD1 4.41Å; I146-I157 HydrophobicContact CG2-CG2 3.42Å; I146-I157 VanDerWaalsContact CG2-CG2 3.42Å; I146-I205 HydrophobicContact CD1-CD1 3.8Å; I146-I205 HydrophobicContact CD1-CG2 4.19Å
147L89.2Confident86.3Confident37 Ų3751.5 Ų51.519%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-119.9151.9-169.5-56.6178.9000110.7V97 G100 E101 I157 M158V97-L147 HydrophobicContact CG1-CB 3.58Å; V97-L147 HydrophobicContact CG1-CD1 4.11Å; G100-L147 WeakPolarHBondContact O-CA 3.21Å; E101-L147 HydrophobicContact CG-CD2 4.05Å; L147-I157 CarbonylContact O-C 3.49Å; L147-M158 PolarHBondContact N-O 3.34Å; L147-M158 PolarHBondContact O-N 3.38Å
148Y89.7Confident86.8Confident14 Ų1450.6 Ų50.66%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-81.4137.8168.8-78.9-89.2000110.6V97 G99 G100 L102 R105 S155 I157V97-Y148 WeakPolarHBondContact CG1-O 3.4Å; G99-Y148 WeakPolarHBondContact CA-O 3.25Å; G99-Y148 PolarHBondContact N-O 2.88Å; G100-Y148 PolarHBondContact O-N 3.46Å; L102-Y148 HydrophobicContact CD1-CE2 3.91Å; R105-Y148 HydrophobicContact CB-CD2 3.64Å; R105-Y148 HydrophobicContact CB-CE2 3.49Å; R105-Y148 VanDerWaalsContact CB-CE2 3.49Å; R105-Y148 HydrophobicContact CG-CD2 3.64Å; R105-Y148 HydrophobicContact CG-CE2 4.05Å; R105-Y148 HydrophobicContact CG-CG 4.32Å; Y148-S155 VanDerWaalsContact CD1-O 3.25Å; Y148-S155 WeakPolarHBondContact CD1-O 3.4Å; Y148-S155 WeakPolarHBondContact CE1-O 3.37Å; Y148-I157 HydrophobicContact CD1-CD1 3.89Å; Y148-I157 HydrophobicContact CD2-CD1 4.05Å; Y148-I157 HydrophobicContact CE1-CD1 3.66Å; Y148-I157 HydrophobicContact CE1-CG1 4.44Å; Y148-I157 HydrophobicContact CE2-CD1 3.84Å; Y148-I157 HydrophobicContact CG-CD1 4.09Å
149Y90.1Very high87Confident108 Ų10850.6 Ų50.642%0.42424%0.236SC..SBendtrans-55.9-52.5178.5-178.1-110.3000112.5S98 G99 S155 K156 M158S98-Y149 PolarHBondContact N-O 2.97Å; G99-Y149 PolarHBondContact N-O 3.1Å; Y149-S155 PolarHBondContact N-OG 3.25Å; Y149-S155 VanDerWaalsContact N-OG 3.08Å; Y149-K156 HydrophobicContact CG-CG 4.46Å; Y149-K156 PolarHBondContact N-O 3.37Å; Y149-M158 HydrophobicContact CD2-CG 4.08Å; Y149-M158 HydrophobicContact CD2-SD 4.11Å; Y149-M158 HydrophobicContact CG-CG 4.44Å
150S88.6Confident87.3Confident16 Ų1646.1 Ų46.111%0.11222%0.222CC..SBendtrans-134.1171-177.9650000111.4G99 R105 E152 S155G99-S150 WeakPolarHBondContact CA-O 3.4Å; R105-S150 PolarHBondContact NH1-O 2.99Å; S150-E152 VanDerWaalsContact CB-OE2 3.22Å; S150-E152 WeakPolarHBondContact CB-OE2 3.47Å; S150-E152 PolarHBondContact O-N 2.9Å; S150-E152 PolarHBondContact OG-OE2 2.82Å; S150-S155 PolarHBondContact N-OG 3.29Å; S150-S155 WeakPolarHBondContact O-CB 3.48Å; S150-S155 PolarHBondContact O-OG 3.46Å; S150-S155 WeakPolarHBondContact OG-CB 3.28Å
151Q86.7Confident87.1Confident160 Ų16046.8 Ų46.875%0.74823%0.225SC*.SBendtrans-76.5-3.5178.3-65.2-178.7-5.300113.2R105R105-Q151 PolarHBondContact NH2-O 2.88Å
152E88.7Confident86.4Confident124 Ų12447.1 Ų47.158%0.57923%0.227SC*.SBendtrans-65.3147.4179.3-63.9155.9138.200111.1R105 S150 D154 S155R105-E152 PolarHBondContact NH2-O 3.11Å; S150-E152 VanDerWaalsContact CB-OE2 3.22Å; S150-E152 WeakPolarHBondContact CB-OE2 3.47Å; S150-E152 PolarHBondContact O-N 2.9Å; S150-E152 PolarHBondContact OG-OE2 2.82Å; E152-D154 VanDerWaalsContact C-N 3.31Å; E152-D154 PolarHBondContact O-N 3.01Å; E152-S155 WeakPolarHBondContact O-CB 3.21Å; E152-S155 PolarHBondContact O-N 2.86Å; E152-S155 VanDerWaalsContact O-N 3.11Å
153E82.2Confident85.1Confident137 Ų13745.8 Ų45.864%0.6422%0.223SC*.THydrogen-bonded Turntrans-67.1-33.4-170.3-168.7-174.3168.600113R109R109-E153 IonicContact CZ-OE1 3.51Å; R109-E153 IonicContact NE-OE1 3.46Å; R109-E153 PolarHBondContact NH1-O 3.28Å; R109-E153 IonicContact NH2-OE1 2.86Å; R109-E153 PolarHBondContact NH2-OE1 3.1Å
154D85.7Confident83.7Confident146 Ų14646.8 Ų46.878%0.78123%0.229SC*.THydrogen-bonded Turntrans-92.17.3176.363.8-32000113.2E152 K156E152-D154 VanDerWaalsContact C-N 3.31Å; E152-D154 PolarHBondContact O-N 3.01Å; D154-K156 PolarHBondContact O-N 3.02Å
155S91.4Very high82Confident12 Ų1246.6 Ų46.68%0.08423%0.233CC..PPolyproline II helixtrans-49.4129.5175.6171.90000111.3Y148 Y149 S150 E152Y148-S155 VanDerWaalsContact CD1-O 3.25Å; Y148-S155 WeakPolarHBondContact CD1-O 3.4Å; Y148-S155 WeakPolarHBondContact CE1-O 3.37Å; Y149-S155 PolarHBondContact N-OG 3.25Å; Y149-S155 VanDerWaalsContact N-OG 3.08Å; S150-S155 PolarHBondContact N-OG 3.29Å; S150-S155 WeakPolarHBondContact O-CB 3.48Å; S150-S155 PolarHBondContact O-OG 3.46Å; S150-S155 WeakPolarHBondContact OG-CB 3.28Å; E152-S155 WeakPolarHBondContact O-CB 3.21Å; E152-S155 PolarHBondContact O-N 2.86Å; E152-S155 VanDerWaalsContact O-N 3.11Å
156K92.8Very high80Confident54 Ų5448 Ų4824%0.23524%0.239CC..PPolyproline II helixtrans-62.6160.6168.163.5175174.8175.20113E75 Q123 Y149 D154 M158E75-K156 HydrophobicContact CG-CD 3.76Å; E75-K156 WeakPolarHBondContact O-CE 3.37Å; E75-K156 PolarHBondContact O-NZ 2.77Å; E75-K156 IonicContact OE1-NZ 3.54Å; Q123-K156 VanDerWaalsContact OE1-CA 3.31Å; Y149-K156 HydrophobicContact CG-CG 4.46Å; Y149-K156 PolarHBondContact N-O 3.37Å; D154-K156 PolarHBondContact O-N 3.02Å; K156-M158 HydrophobicContact CD-SD 4.11Å; K156-M158 HydrophobicContact CG-SD 4.33Å
157I93.8Very high77.4Confident0 Ų049.8 Ų49.80%025%0.247CC..EExtended strand (participates in β ladder)trans-85.4144.1171.5-65.9-66.3000110.5N76 L102 V120 Q123 V124 I146 L147 Y148N76-I157 VanDerWaalsContact CA-O 3.29Å; N76-I157 WeakPolarHBondContact CA-O 3.35Å; N76-I157 VanDerWaalsContact CB-O 3.23Å; N76-I157 WeakPolarHBondContact CB-O 3.23Å; N76-I157 PolarHBondContact ND2-O 3.02Å; L102-I157 HydrophobicContact CD1-CD1 4.16Å; V120-I157 HydrophobicContact CB-CG1 4.47Å; V120-I157 HydrophobicContact CG1-CD1 4.27Å; V120-I157 HydrophobicContact CG1-CG1 4.2Å; V120-I157 HydrophobicContact CG2-CD1 4.2Å; V120-I157 HydrophobicContact CG2-CG1 4.16Å; Q123-I157 HydrophobicContact CB-CB 4.19Å; V124-I157 HydrophobicContact CG2-CG2 4.03Å; I146-I157 HydrophobicContact CG2-CD1 4.41Å; I146-I157 HydrophobicContact CG2-CG2 3.42Å; I146-I157 VanDerWaalsContact CG2-CG2 3.42Å; L147-I157 CarbonylContact O-C 3.49Å; Y148-I157 HydrophobicContact CD1-CD1 3.89Å; Y148-I157 HydrophobicContact CD2-CD1 4.05Å; Y148-I157 HydrophobicContact CE1-CD1 3.66Å; Y148-I157 HydrophobicContact CE1-CG1 4.44Å; Y148-I157 HydrophobicContact CE2-CD1 3.84Å; Y148-I157 HydrophobicContact CG-CD1 4.09Å
158M92Very high75Confident7 Ų750.4 Ų50.43%0.03426%0.258CS..EExtended strand (participates in β ladder)trans-126.5127.9176.4-58.9-60.9-63.100109.8V77 V78 V97 L147 Y149 K156V77-M158 WeakPolarHBondContact O-CE 3.25Å; V78-M158 HydrophobicContact CG2-CB 4.1Å; V78-M158 HydrophobicContact CG2-CE 4.27Å; V97-M158 HydrophobicContact CG1-CB 4.26Å; V97-M158 HydrophobicContact CG1-CG 4.29Å; V97-M158 HydrophobicContact CG2-CB 4.13Å; V97-M158 HydrophobicContact CG2-CG 4.04Å; L147-M158 PolarHBondContact N-O 3.34Å; L147-M158 PolarHBondContact O-N 3.38Å; Y149-M158 HydrophobicContact CD2-CG 4.08Å; Y149-M158 HydrophobicContact CD2-SD 4.11Å; Y149-M158 HydrophobicContact CG-CG 4.44Å; K156-M158 HydrophobicContact CD-SD 4.11Å; K156-M158 HydrophobicContact CG-SD 4.33Å
159I90.6Very high72.4Confident0 Ų053.3 Ų53.30%027%0.272CS..EExtended strand (participates in β ladder)trans-87.7120169-60-170.7000109.6N76 V78 V124 A127 V128 H138 L141N76-I159 PolarHBondContact O-N 3.49Å; V78-I159 WeakPolarHBondContact CG2-O 3.43Å; V78-I159 PolarHBondContact N-O 2.85Å; V124-I159 HydrophobicContact CG1-CD1 4.09Å; A127-I159 HydrophobicContact CB-CD1 3.52Å; A127-I159 HydrophobicContact CB-CG1 4.04Å; V128-I159 HydrophobicContact CG2-CD1 3.63Å; H138-I159 VanDerWaalsContact CD2-CG2 3.46Å; H138-I159 WeakPolarHBondContact CD2-CG2 3.34Å; H138-I159 WeakPolarHBondContact NE2-CG2 3.25Å; L141-I159 HydrophobicContact CD2-CD1 4.32Å; L141-I159 HydrophobicContact CD2-CG2 4.26Å
160S84.5Confident69.7Low16 Ų1654 Ų5411%0.11229%0.293CS..  trans-98.7171.2174.562.20000111.5H138 N145 F162H138-S160 PolarHBondContact NE2-O 3.07Å; N145-S160 WeakPolarHBondContact CA-OG 3.48Å; N145-S160 PolarHBondContact O-N 3.04Å; N145-S160 PolarHBondContact O-OG 3.43Å; S160-F162 PolarHBondContact O-N 3.08Å
161D75.6Confident67Low51 Ų5155.5 Ų55.527%0.27331%0.31SS..  trans54.316.3167.1-87.713000119.4K50 G163K50-D161 IonicContact NZ-OD1 3.5Å; K50-D161 PolarHBondContact NZ-OD1 2.9Å; K50-D161 IonicContact NZ-OD2 3.78Å; K50-D161 PolarHBondContact NZ-OD2 3.34Å; D161-G163 PolarHBondContact O-N 2.94Å
162F69.9Low64.4Low10 Ų1055.7 Ų55.74%0.04432%0.315CS..  trans-62.54.6168.567-83.6000115.4L69 I72 V77 V78 L131 H138 S160L69-F162 HydrophobicContact CD2-CD2 3.8Å; L69-F162 HydrophobicContact CD2-CE2 3.33Å; L69-F162 HydrophobicContact CD2-CZ 4.09Å; I72-F162 HydrophobicContact CB-CE2 4.32Å; I72-F162 HydrophobicContact CG1-CE2 4.37Å; I72-F162 HydrophobicContact CG2-CE2 3.78Å; I72-F162 HydrophobicContact CG2-CZ 3.9Å; V77-F162 HydrophobicContact CG1-CD1 3.74Å; V77-F162 HydrophobicContact CG1-CD2 4.35Å; V77-F162 HydrophobicContact CG1-CE1 3.27Å; V77-F162 HydrophobicContact CG1-CE2 3.92Å; V77-F162 HydrophobicContact CG1-CG 4.27Å; V77-F162 HydrophobicContact CG1-CZ 3.38Å; V78-F162 HydrophobicContact CB-CE1 4.46Å; V78-F162 VanDerWaalsContact O-CE1 3.28Å; V78-F162 WeakPolarHBondContact O-CE1 3.29Å; V78-F162 WeakPolarHBondContact O-CZ 3.39Å; L131-F162 HydrophobicContact CD1-CB 3.98Å; L131-F162 HydrophobicContact CD1-CD2 4.37Å; L131-F162 HydrophobicContact CD1-CG 4.26Å; L131-F162 HydrophobicContact CD2-CD2 3.62Å; L131-F162 HydrophobicContact CD2-CE2 3.97Å; L131-F162 HydrophobicContact CD2-CG 4.28Å; H138-F162 VanDerWaalsContact CD2-CB 3.45Å; H138-F162 WeakPolarHBondContact CD2-CB 3.35Å; S160-F162 PolarHBondContact O-N 3.08Å
163G56.3Low61.8Low8 Ų853.1 Ų53.18%0.08230%0.304CS..SBendtrans-134.7145.8-17800000112.9D161 S165D161-G163 PolarHBondContact O-N 2.94Å; G163-S165 PolarHBondContact O-N 3.39Å
164L54.1Low59.4Low23 Ų2351.3 Ų51.312%0.1231%0.306CS..SBendtrans73-0.7-176.4-42.3-172.2000115.4V52 L62 E65 L69 L92 K166 M167V52-L164 HydrophobicContact CG1-CD1 4.31Å; V52-L164 HydrophobicContact CG2-CD1 3.61Å; L62-L164 HydrophobicContact CD1-CD1 4.43Å; L62-L164 HydrophobicContact CD1-CD2 3.33Å; L62-L164 HydrophobicContact CD1-CG 4.46Å; E65-L164 HydrophobicContact CG-CD2 4.26Å; E65-L164 WeakPolarHBondContact OE1-CA 3.32Å; E65-L164 PolarHBondContact OE1-N 2.84Å; L69-L164 HydrophobicContact CD1-CD2 4.39Å; L92-L164 HydrophobicContact CD1-CD1 4.16Å; L92-L164 HydrophobicContact CD2-CD1 3.94Å; L92-L164 HydrophobicContact CD2-CG 4.38Å; L164-K166 PolarHBondContact O-N 2.83Å; L164-M167 PolarHBondContact O-N 3.21Å; L164-M167 VanDerWaalsContact O-N 3.13Å
165S45.8Very low57Low48 Ų4847.5 Ų47.534%0.33629%0.288SS..THydrogen-bonded Turntrans-60.6-4.8-172.264.80000115.9H138 G163H138-S165 PolarHBondContact O-OG 2.76Å; G163-S165 PolarHBondContact O-N 3.39Å
166K43.1Very low54.4Low37 Ų3750 Ų5016%0.16131%0.309CS..THydrogen-bonded Turntrans-139.716.5173.3-140.6149.9-174.11560116.2L164 A168 M173 C177 Y193L164-K166 PolarHBondContact O-N 2.83Å; K166-A168 PolarHBondContact O-N 3.13Å; K166-M173 VanDerWaalsContact CE-SD 3.51Å; K166-M173 PolarHBondContact NZ-SD 3.31Å; K166-C177 WeakPolarHBondContact CE-SG 3.29Å; K166-C177 PolarHBondContact NZ-SG 3.38Å; K166-Y193 WeakPolarHBondContact CD-OH 3.42Å; K166-Y193 WeakPolarHBondContact CE-OH 3.32Å; K166-Y193 PolarHBondContact NZ-OH 3.42Å
167M35.7Very low51.6Low37 Ų3749.6 Ų49.618%0.18231%0.313CS..SBendtrans-75.31.3176.9-70.9-63-58.200113.9K55 D59 N61 L62 E65 L164K55-M167 PolarHBondContact NZ-O 2.87Å; D59-M167 HydrophobicContact CB-CE 4.38Å; D59-M167 VanDerWaalsContact OD1-CE 3.24Å; D59-M167 WeakPolarHBondContact OD1-CE 3.12Å; D59-M167 WeakPolarHBondContact OD2-CE 3.37Å; N61-M167 HydrophobicContact CB-CE 3.89Å; N61-M167 HydrophobicContact CB-SD 3.93Å; L62-M167 HydrophobicContact CB-CE 3.63Å; L62-M167 HydrophobicContact CD1-CE 4.37Å; L62-M167 HydrophobicContact CD1-CG 4.38Å; L62-M167 HydrophobicContact CD2-CE 4.4Å; L62-M167 HydrophobicContact CG-CE 4.35Å; E65-M167 WeakPolarHBondContact OE2-CG 3.49Å; L164-M167 PolarHBondContact O-N 3.21Å; L164-M167 VanDerWaalsContact O-N 3.13Å
168A38Very low49.4Very low50 Ų5050.6 Ų50.641%0.41332%0.323SS..SBendtrans-74-51.2174.600000112.9F32 K55 K166F32-A168 HydrophobicContact CD2-CB 4.46Å; F32-A168 HydrophobicContact CE2-CB 4.35Å; K55-A168 PolarHBondContact NZ-O 2.98Å; K166-A168 PolarHBondContact O-N 3.13Å
169E36Very low47.7Very low76 Ų7653 Ų5336%0.35534%0.338SS..  trans-121.690.7-165.8-67.8-175.6150.500113.1G171 T175E169-G171 PolarHBondContact O-N 2.86Å; E169-T175 WeakPolarHBondContact OE1-CB 3.42Å; E169-T175 PolarHBondContact OE1-OG1 3.2Å; E169-T175 WeakPolarHBondContact OE2-CB 3.3Å; E169-T175 PolarHBondContact OE2-OG1 3.06Å
170S33.2Very low46.2Very low123 Ų12355.1 Ų55.186%0.8635%0.352SS*.  trans-79.971162.1630000109.8
171G30.8Very low45.6Very low46 Ų4655 Ų5547%0.47435%0.353SS..SBendtrans-153.9169.9-178.600000111.9E169 M173E169-G171 PolarHBondContact O-N 2.86Å; G171-M173 PolarHBondContact O-N 2.72Å
172I31.8Very low45.9Very low164 Ų16453.9 Ų53.984%0.84135%0.346SS*.SBendtrans-60.7128.1169.9-61.5166.5000107S174I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.43Å
173M34.9Very low46.5Very low71 Ų7154 Ų5435%0.3535%0.347SS..  trans-7578.2-164.4-64.6177-160.900112.6K166 G171 T175 Q190 Y193K166-M173 VanDerWaalsContact CE-SD 3.51Å; K166-M173 PolarHBondContact NZ-SD 3.31Å; G171-M173 PolarHBondContact O-N 2.72Å; M173-T175 VanDerWaalsContact C-N 3.28Å; M173-Q190 PolarHBondContact O-NE2 2.78Å; M173-Y193 HydrophobicContact CE-CE1 4.02Å; M173-Y193 HydrophobicContact SD-CE1 3.71Å
174S30.8Very low47.7Very low99 Ų9953.8 Ų53.869%0.69234%0.344SS*.  trans-67.8-27.2169.947.80000113I172I172-S174 VanDerWaalsContact C-N 3.31Å; I172-S174 PolarHBondContact O-N 3.43Å
175T35.4Very low49.2Very low66 Ų6653 Ų5341%0.40534%0.341SS..SBendtrans-102122.2-170.4-38.40000110.3E169 M173 C177E169-T175 WeakPolarHBondContact OE1-CB 3.42Å; E169-T175 PolarHBondContact OE1-OG1 3.2Å; E169-T175 WeakPolarHBondContact OE2-CB 3.3Å; E169-T175 PolarHBondContact OE2-OG1 3.06Å; M173-T175 VanDerWaalsContact C-N 3.28Å; T175-C177 VanDerWaalsContact C-N 3.31Å; T175-C177 PolarHBondContact O-N 3.45Å; T175-C177 PolarHBondContact O-SG 3.18Å
176A37.4Very low51Low63 Ų6351.4 Ų51.452%0.52133%0.328SS..  trans-73.382.5177.800000110.7G178A176-G178 PolarHBondContact O-N 3.18Å
177C34Very low52.7Low46 Ų4651 Ų5131%0.31133%0.329SS..  trans-80.996-174.930.60000112K166 T175K166-C177 WeakPolarHBondContact CE-SG 3.29Å; K166-C177 PolarHBondContact NZ-SG 3.38Å; T175-C177 VanDerWaalsContact C-N 3.31Å; T175-C177 PolarHBondContact O-N 3.45Å; T175-C177 PolarHBondContact O-SG 3.18Å
178G47.7Very low54.7Low21 Ų2151 Ų5122%0.21633%0.329CS..SBendtrans157.3153.1172.500000110.1A176 P180A176-G178 PolarHBondContact O-N 3.18Å; G178-P180 WeakPolarHBondContact O-CD 3.39Å
179T55.3Low56.3Low57 Ų5750.3 Ų50.335%0.3532%0.323SS..  trans-60.4118.6176.7-61.90000109.4G181 Y182T179-G181 VanDerWaalsContact C-N 3.31Å; T179-G181 PolarHBondContact O-N 2.98Å; T179-Y182 HydrophobicContact CG2-CD2 3.79Å; T179-Y182 HydrophobicContact CG2-CE2 3.81Å; T179-Y182 PolarHBondContact O-N 3.42Å
180P60.6Low57.8Low46 Ų4653 Ų5330%0.29934%0.336SS..G310 helixtrans-50.2-37.5-158.2-36.537.6000117.6G178 Y182 L224 F225 I228G178-P180 WeakPolarHBondContact O-CD 3.39Å; P180-Y182 VanDerWaalsContact C-N 3.28Å; P180-Y182 PolarHBondContact O-N 3.41Å; P180-L224 HydrophobicContact CB-CD2 3.86Å; P180-F225 HydrophobicContact CB-CE1 3.99Å; P180-F225 HydrophobicContact CB-CZ 4.48Å; P180-I228 VanDerWaalsContact O-CD1 3.27Å; P180-I228 WeakPolarHBondContact O-CD1 3.47Å
181G72.1Confident59.3Low13 Ų1353.2 Ų53.213%0.13432%0.321CS..G310 helixtrans-67.9-18.9-17900000115.6T179T179-G181 VanDerWaalsContact C-N 3.31Å; T179-G181 PolarHBondContact O-N 2.98Å
182Y80.3Confident60.7Low28 Ų2857.6 Ų57.611%0.1134%0.341CS..G310 helixtrans-100.2-5.6-175.8-56.3-88.1000113.6K142 P143 T179 P180 S201 V204 I205 I208K142-Y182 HydrophobicContact CB-CD2 4.45Å; K142-Y182 HydrophobicContact CB-CG 4.48Å; P143-Y182 VanDerWaalsContact CD-CE1 3.4Å; P143-Y182 VanDerWaalsContact CD-CZ 3.45Å; P143-Y182 WeakPolarHBondContact CD-OH 3.33Å; P143-Y182 HydrophobicContact CG-CE1 3.89Å; P143-Y182 WeakPolarHBondContact CG-OH 3.27Å; T179-Y182 HydrophobicContact CG2-CD2 3.79Å; T179-Y182 HydrophobicContact CG2-CE2 3.81Å; T179-Y182 PolarHBondContact O-N 3.42Å; P180-Y182 VanDerWaalsContact C-N 3.28Å; P180-Y182 PolarHBondContact O-N 3.41Å; Y182-S201 PolarHBondContact O-OG 3.38Å; Y182-V204 HydrophobicContact CD1-CB 4.11Å; Y182-V204 HydrophobicContact CD1-CG1 3.43Å; Y182-V204 VanDerWaalsContact CD1-CG1 3.43Å; Y182-V204 HydrophobicContact CE1-CG1 3.75Å; Y182-V204 HydrophobicContact CG-CG1 4.21Å; Y182-I205 HydrophobicContact CD1-CG1 4.07Å; Y182-I205 HydrophobicContact CE1-CG1 4.03Å; Y182-I208 HydrophobicContact CE1-CD1 3.49Å; Y182-I208 VanDerWaalsContact CE1-CD1 3.49Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.42Å
183V82.5Confident62.1Low13 Ų1352.3 Ų52.38%0.07931%0.311CS..  trans-81.5135.3-173.1-179.10000111V187 L188 W200 I228V183-V187 HydrophobicContact CG1-CB 3.7Å; V183-V187 HydrophobicContact CG1-CG1 3.75Å; V183-L188 HydrophobicContact CB-CD2 4.39Å; V183-L188 HydrophobicContact CG1-CD2 3.86Å; V183-L188 HydrophobicContact CG1-CG 4Å; V183-W200 PolarHBondContact O-NE1 3.25Å; V183-W200 VanDerWaalsContact O-NE1 3.15Å; V183-I228 WeakPolarHBondContact O-CG2 3.45Å
184A81.9Confident64Low2 Ų252 Ų522%0.01732%0.316CS..  trans-73.5149.7-178.900000113E186 V187 L188 V197 W200A184-E186 VanDerWaalsContact C-N 3.27Å; A184-E186 PolarHBondContact O-N 3Å; A184-V187 HydrophobicContact CB-CG2 4.32Å; A184-V187 WeakPolarHBondContact O-CB 3.41Å; A184-V187 PolarHBondContact O-N 3.21Å; A184-L188 PolarHBondContact O-N 3.13Å; A184-V197 HydrophobicContact CB-CB 4Å; A184-V197 HydrophobicContact CB-CG1 3.94Å; A184-W200 HydrophobicContact CB-CB 3.86Å; A184-W200 HydrophobicContact CB-CD2 4.36Å; A184-W200 HydrophobicContact CB-CG 3.78Å
185P86.2Confident66.7Low8 Ų851.5 Ų51.55%0.05230%0.301CS..Hα-helixtrans-56.6-37.4-176.2-25.634.6000113.7V187 L188 A189 W200 I228 M229P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 PolarHBondContact O-N 2.88Å; P185-L188 PolarHBondContact O-N 3.02Å; P185-A189 WeakPolarHBondContact O-CB 3.32Å; P185-A189 PolarHBondContact O-N 3.42Å; P185-W200 HydrophobicContact CG-CD2 4.5Å; P185-W200 HydrophobicContact CG-CE3 4.17Å; P185-W200 HydrophobicContact CG-CH2 3.5Å; P185-W200 VanDerWaalsContact CG-CH2 3.5Å; P185-W200 HydrophobicContact CG-CZ2 3.86Å; P185-W200 HydrophobicContact CG-CZ3 3.67Å; P185-I228 HydrophobicContact CG-CG2 4.32Å; P185-I228 WeakPolarHBondContact CG-O 3.49Å; P185-M229 HydrophobicContact CB-SD 4.49Å
186E83.4Confident69.3Low13 Ų1349 Ų496%0.06129%0.287CS..Hα-helixtrans-67.2-25.6178.763.5-90-150.100113.9A184 Q190 K191 V197 P259 R262A184-E186 VanDerWaalsContact C-N 3.27Å; A184-E186 PolarHBondContact O-N 3Å; E186-Q190 PolarHBondContact O-N 3.15Å; E186-K191 HydrophobicContact CB-CB 4.38Å; E186-K191 WeakPolarHBondContact O-CB 3.21Å; E186-K191 PolarHBondContact O-N 3.05Å; E186-V197 HydrophobicContact CG-CG1 4.2Å; E186-P259 HydrophobicContact CB-CG 4.2Å; E186-P259 VanDerWaalsContact CD-CG 3.41Å; E186-P259 HydrophobicContact CG-CG 4.05Å; E186-P259 WeakPolarHBondContact OE1-CG 3.49Å; E186-R262 IonicContact OE1-CZ 3.7Å; E186-R262 IonicContact OE1-NH1 3.74Å; E186-R262 PolarHBondContact OE1-NH1 2.89Å; E186-R262 IonicContact OE1-NH2 3.95Å; E186-R262 PolarHBondContact OE1-NH2 2.85Å; E186-R262 IonicContact OE2-CZ 3.1Å; E186-R262 IonicContact OE2-NH1 2.97Å; E186-R262 PolarHBondContact OE2-NH1 2.68Å; E186-R262 IonicContact OE2-NH2 2.71Å; E186-R262 PolarHBondContact OE2-NH2 3.13Å
187V79.6Confident71.8Confident30 Ų3046.2 Ų46.218%0.18226%0.264CS..Hα-helixtrans-76.6-44.4177.2-179.50000110.1V183 A184 P185 A189 Q190 Y193 V197V183-V187 HydrophobicContact CG1-CB 3.7Å; V183-V187 HydrophobicContact CG1-CG1 3.75Å; A184-V187 HydrophobicContact CB-CG2 4.32Å; A184-V187 WeakPolarHBondContact O-CB 3.41Å; A184-V187 PolarHBondContact O-N 3.21Å; P185-V187 VanDerWaalsContact C-N 3.28Å; P185-V187 PolarHBondContact O-N 2.88Å; V187-A189 PolarHBondContact O-N 3.43Å; V187-Q190 PolarHBondContact O-N 2.91Å; V187-Y193 HydrophobicContact CG2-CD1 4.49Å; V187-Y193 HydrophobicContact CG2-CG 4.16Å; V187-V197 HydrophobicContact CG2-CB 4.37Å; V187-V197 HydrophobicContact CG2-CG1 3.6Å
188L76.1Confident74.5Confident37 Ų3744 Ų4419%0.19425%0.249CC..Hα-helixtrans-61.8-31.9171.4-61.2-179.2000111.9V183 A184 P185 Q190 F225 I228 M229V183-L188 HydrophobicContact CB-CD2 4.39Å; V183-L188 HydrophobicContact CG1-CD2 3.86Å; V183-L188 HydrophobicContact CG1-CG 4Å; A184-L188 PolarHBondContact O-N 3.13Å; P185-L188 PolarHBondContact O-N 3.02Å; L188-Q190 PolarHBondContact O-N 3.34Å; L188-F225 HydrophobicContact CD1-CB 4.31Å; L188-F225 HydrophobicContact CD1-CD1 3.67Å; L188-F225 HydrophobicContact CD1-CE1 4.48Å; L188-F225 HydrophobicContact CD1-CG 4.38Å; L188-F225 HydrophobicContact CD2-CD1 3.78Å; L188-F225 HydrophobicContact CD2-CE1 3.83Å; L188-F225 HydrophobicContact CG-CD1 4.38Å; L188-I228 HydrophobicContact CD1-CB 3.89Å; L188-I228 HydrophobicContact CD1-CD1 4.24Å; L188-I228 HydrophobicContact CD1-CG2 3.52Å; L188-M229 HydrophobicContact CB-CG 4.31Å; L188-M229 HydrophobicContact CB-SD 3.86Å; L188-M229 HydrophobicContact CD1-CG 4.31Å
189A72.8Confident76.8Confident35 Ų3543.1 Ų43.129%0.28924%0.239SC..THydrogen-bonded Turntrans-76.85.4173.100000114.5P185 V187 K191 M229P185-A189 WeakPolarHBondContact O-CB 3.32Å; P185-A189 PolarHBondContact O-N 3.42Å; V187-A189 PolarHBondContact O-N 3.43Å; A189-K191 HydrophobicContact CB-CD 4.18Å; A189-K191 HydrophobicContact CB-CG 4.01Å; A189-K191 PolarHBondContact O-N 2.82Å; A189-K191 VanDerWaalsContact O-N 3.09Å; A189-M229 HydrophobicContact CB-CE 3.96Å; A189-M229 HydrophobicContact CB-SD 4.14Å
190Q67.9Low78.8Confident132 Ų13240.4 Ų40.462%0.61722%0.222SC*.THydrogen-bonded Turntrans52.427.4-177-64.8178.5-16.600114.4M173 E186 V187 L188M173-Q190 PolarHBondContact O-NE2 2.78Å; E186-Q190 PolarHBondContact O-N 3.15Å; V187-Q190 PolarHBondContact O-N 2.91Å; L188-Q190 PolarHBondContact O-N 3.34Å
191K63.9Low80.3Confident128 Ų12838.4 Ų38.456%0.55721%0.21SC*.  trans-82.4157.3-179.9-66.4-177.9178.1-178.20111.3E186 A189 Y193E186-K191 HydrophobicContact CB-CB 4.38Å; E186-K191 WeakPolarHBondContact O-CB 3.21Å; E186-K191 PolarHBondContact O-N 3.05Å; A189-K191 HydrophobicContact CB-CD 4.18Å; A189-K191 HydrophobicContact CB-CG 4.01Å; A189-K191 PolarHBondContact O-N 2.82Å; A189-K191 VanDerWaalsContact O-N 3.09Å; K191-Y193 PolarHBondContact O-N 3.09Å; K191-Y193 VanDerWaalsContact O-N 3.07Å
192P59.7Low81.5Confident138 Ų13837.8 Ų37.890%0.89620%0.203SC*.  trans-54.7116164.2-23.234.2000109.8
193Y62.2Low82.4Confident53 Ų5336.5 Ų36.521%0.20820%0.198CC..  trans-106.5159.2-175.758.6-87000111.2R139 K166 M173 V187 K191 V197R139-Y193 HydrophobicContact CG-CE2 4.05Å; K166-Y193 WeakPolarHBondContact CD-OH 3.42Å; K166-Y193 WeakPolarHBondContact CE-OH 3.32Å; K166-Y193 PolarHBondContact NZ-OH 3.42Å; M173-Y193 HydrophobicContact CE-CE1 4.02Å; M173-Y193 HydrophobicContact SD-CE1 3.71Å; V187-Y193 HydrophobicContact CG2-CD1 4.49Å; V187-Y193 HydrophobicContact CG2-CG 4.16Å; K191-Y193 PolarHBondContact O-N 3.09Å; K191-Y193 VanDerWaalsContact O-N 3.07Å; Y193-V197 HydrophobicContact CD2-CG1 4.29Å; Y193-V197 HydrophobicContact CD2-CG2 4.45Å; Y193-V197 HydrophobicContact CG-CG1 4.36Å
194S74.9Confident83Confident63 Ų6335.9 Ų35.944%0.44120%0.195SC..  trans-135.5-173.3-172.774.80000111.3A196 V197S194-A196 PolarHBondContact O-N 3.45Å; S194-A196 PolarHBondContact OG-N 3.33Å; S194-V197 WeakPolarHBondContact O-CG2 3.27Å; S194-V197 PolarHBondContact O-N 3.19Å
195K86.9Confident83.6Confident90 Ų9035.8 Ų35.839%0.39119%0.194SC..THydrogen-bonded Turntrans-38-32166.3-70.4177173.9-171.60115.1H132 V137 V197 D198H132-K195 HydrophobicContact CB-CD 3.82Å; H132-K195 HydrophobicContact CB-CG 4.21Å; H132-K195 PolarHBondContact CE1-O 3.3Å; H132-K195 WeakPolarHBondContact O-CE 3.49Å; H132-K195 PolarHBondContact O-NZ 3.49Å; V137-K195 HydrophobicContact CG2-CG 3.92Å; K195-V197 PolarHBondContact O-N 3.23Å; K195-D198 PolarHBondContact O-N 2.96Å
196A89.6Confident84.2Confident13 Ų1335.4 Ų35.411%0.10719%0.191CC..Hα-helixtrans-61.7-21.4-179.300000114.3S194 C199 W200 P259 R262S194-A196 PolarHBondContact O-N 3.45Å; S194-A196 PolarHBondContact OG-N 3.33Å; A196-C199 PolarHBondContact O-N 3.29Å; A196-W200 PolarHBondContact O-N 2.69Å; A196-P259 HydrophobicContact CB-CB 3.96Å; A196-R262 WeakPolarHBondContact O-CD 3.36Å; A196-R262 PolarHBondContact O-NH1 3.17Å
197V89.4Confident84.9Confident5 Ų534.9 Ų34.93%0.0319%0.189CC..Hα-helixtrans-67.5-39.8177.3-54.60000111.8V137 A184 E186 V187 Y193 S194 K195 C199 W200 S201V137-V197 HydrophobicContact CG1-CG2 4.02Å; A184-V197 HydrophobicContact CB-CB 4Å; A184-V197 HydrophobicContact CB-CG1 3.94Å; E186-V197 HydrophobicContact CG-CG1 4.2Å; V187-V197 HydrophobicContact CG2-CB 4.37Å; V187-V197 HydrophobicContact CG2-CG1 3.6Å; Y193-V197 HydrophobicContact CD2-CG1 4.29Å; Y193-V197 HydrophobicContact CD2-CG2 4.45Å; Y193-V197 HydrophobicContact CG-CG1 4.36Å; S194-V197 WeakPolarHBondContact O-CG2 3.27Å; S194-V197 PolarHBondContact O-N 3.19Å; K195-V197 PolarHBondContact O-N 3.23Å; V197-C199 PolarHBondContact O-N 2.84Å; V197-W200 WeakPolarHBondContact O-CB 3.44Å; V197-W200 PolarHBondContact O-N 2.72Å; V197-W200 VanDerWaalsContact O-N 3.11Å; V197-S201 PolarHBondContact O-N 2.69Å; V197-S201 VanDerWaalsContact O-N 3.1Å; V197-S201 PolarHBondContact O-OG 3.44Å
198D91.3Very high85.5Confident0 Ų033.5 Ų33.50%018%0.181CC..Hα-helixtrans-62.5-38.5178.3-63.1-14.7000110V128 H132 V137 H138 R139 L141 K195 W200 S201 I202V128-D198 HydrophobicContact CG1-CB 3.89Å; H132-D198 IonicContact CD2-OD2 2.73Å; H132-D198 IonicContact CE1-OD2 2.74Å; H132-D198 IonicContact NE2-OD2 3.2Å; H132-D198 PolarHBondContact NE2-OD2 3.27Å; V137-D198 WeakPolarHBondContact CA-OD2 3.44Å; V137-D198 WeakPolarHBondContact CG1-OD2 3.23Å; H138-D198 PolarHBondContact N-OD1 2.99Å; H138-D198 PolarHBondContact N-OD2 2.89Å; R139-D198 PolarHBondContact N-OD1 3.19Å; L141-D198 HydrophobicContact CD1-CB 3.7Å; K195-D198 PolarHBondContact O-N 2.96Å; D198-W200 VanDerWaalsContact C-N 3.34Å; D198-W200 PolarHBondContact O-N 3.07Å; D198-S201 PolarHBondContact O-N 3.05Å; D198-I202 VanDerWaalsContact O-CG1 3.25Å; D198-I202 WeakPolarHBondContact O-CG1 3.33Å; D198-I202 PolarHBondContact O-N 2.93Å
199C96.8Very high86.4Confident1 Ų131.8 Ų31.81%0.00717%0.171CC..Hα-helixtrans-64.3-36.1176.3-550000112.5A196 V197 G203 M254 Y263A196-C199 PolarHBondContact O-N 3.29Å; V197-C199 PolarHBondContact O-N 2.84Å; C199-G203 PolarHBondContact O-N 3.48Å; C199-M254 HydrophobicContact CB-CE 4.18Å; C199-M254 WeakPolarHBondContact O-CE 3.34Å; C199-Y263 WeakPolarHBondContact CB-O 3.42Å; C199-Y263 PolarHBondContact SG-O 3.21Å; C199-Y263 VanDerWaalsContact SG-O 3.38Å
200W95.9Very high87.6Confident0 Ų030.1 Ų30.10%016%0.158CC..Hα-helixtrans-64.8-47173.3173.5-83000111.4V183 A184 P185 A196 V197 D198 I202 G203 V204 F216 I228 A231 M255V183-W200 PolarHBondContact O-NE1 3.25Å; V183-W200 VanDerWaalsContact O-NE1 3.15Å; A184-W200 HydrophobicContact CB-CB 3.86Å; A184-W200 HydrophobicContact CB-CD2 4.36Å; A184-W200 HydrophobicContact CB-CG 3.78Å; P185-W200 HydrophobicContact CG-CD2 4.5Å; P185-W200 HydrophobicContact CG-CE3 4.17Å; P185-W200 HydrophobicContact CG-CH2 3.5Å; P185-W200 VanDerWaalsContact CG-CH2 3.5Å; P185-W200 HydrophobicContact CG-CZ2 3.86Å; P185-W200 HydrophobicContact CG-CZ3 3.67Å; A196-W200 PolarHBondContact O-N 2.69Å; V197-W200 WeakPolarHBondContact O-CB 3.44Å; V197-W200 PolarHBondContact O-N 2.72Å; V197-W200 VanDerWaalsContact O-N 3.11Å; D198-W200 VanDerWaalsContact C-N 3.34Å; D198-W200 PolarHBondContact O-N 3.07Å; W200-I202 VanDerWaalsContact C-N 3.34Å; W200-I202 PolarHBondContact O-N 2.91Å; W200-G203 WeakPolarHBondContact O-CA 3.47Å; W200-G203 PolarHBondContact O-N 3.32Å; W200-V204 PolarHBondContact O-N 2.81Å; W200-F216 HydrophobicContact CH2-CE2 4.38Å; W200-F216 AromaticContact CH2-CZ 3.92Å; W200-F216 HydrophobicContact CH2-CZ 3.92Å; W200-F216 AromaticContact CZ2-CE2 3.55Å; W200-F216 HydrophobicContact CZ2-CE2 3.55Å; W200-F216 AromaticContact CZ2-CZ 3.53Å; W200-F216 HydrophobicContact CZ2-CZ 3.53Å; W200-I228 HydrophobicContact CZ2-CG2 4.05Å; W200-A231 HydrophobicContact CH2-CB 3.81Å; W200-A231 HydrophobicContact CZ3-CB 4.12Å; W200-M255 HydrophobicContact CE3-CB 4.26Å; W200-M255 HydrophobicContact CZ2-CE 4.28Å; W200-M255 HydrophobicContact CZ3-CB 4.19Å; W200-M255 WeakPolarHBondContact CZ3-O 3.44Å
201S93.8Very high88.8Confident5 Ų523.9 Ų23.94%0.03513%0.128CC..Hα-helixtrans-62.9-38.8178.7-53.50000112L141 Y182 V197 D198 G203 V204 I205L141-S201 WeakPolarHBondContact O-CB 3.24Å; Y182-S201 PolarHBondContact O-OG 3.38Å; V197-S201 PolarHBondContact O-N 2.69Å; V197-S201 VanDerWaalsContact O-N 3.1Å; V197-S201 PolarHBondContact O-OG 3.44Å; D198-S201 PolarHBondContact O-N 3.05Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3.3Å; S201-V204 PolarHBondContact O-N 3.04Å; S201-I205 WeakPolarHBondContact O-CD1 3.34Å; S201-I205 VanDerWaalsContact O-CG1 3.23Å; S201-I205 WeakPolarHBondContact O-CG1 3.45Å; S201-I205 PolarHBondContact O-N 3.44Å
202I97.3Very high90.1Very high0 Ų017.8 Ų17.80%010%0.102CC..Hα-helixtrans-60.3-40.3170.8-65.6167.7000111I121 V124 L125 V128 L141 D198 W200 I205 T206 M254I121-I202 HydrophobicContact CD1-CG2 4.26Å; I121-I202 HydrophobicContact CG2-CG2 4.06Å; V124-I202 HydrophobicContact CG1-CD1 4.06Å; V124-I202 HydrophobicContact CG1-CG1 3.87Å; L125-I202 HydrophobicContact CD2-CD1 4.06Å; L125-I202 HydrophobicContact CD2-CG2 4.17Å; L125-I202 HydrophobicContact CG-CG2 4.49Å; V128-I202 HydrophobicContact CB-CD1 4.15Å; V128-I202 HydrophobicContact CG1-CD1 4.17Å; V128-I202 HydrophobicContact CG2-CD1 4.1Å; L141-I202 HydrophobicContact CD1-CD1 4.16Å; L141-I202 HydrophobicContact CD1-CG1 3.89Å; D198-I202 VanDerWaalsContact O-CG1 3.25Å; D198-I202 WeakPolarHBondContact O-CG1 3.33Å; D198-I202 PolarHBondContact O-N 2.93Å; W200-I202 VanDerWaalsContact C-N 3.34Å; W200-I202 PolarHBondContact O-N 2.91Å; I202-I205 PolarHBondContact O-N 3.24Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.27Å; I202-T206 PolarHBondContact O-OG1 3.44Å; I202-M254 HydrophobicContact CB-CE 3.75Å; I202-M254 HydrophobicContact CG2-CE 3.52Å
203G98.1Very high91.6Very high0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-60-45.9173.500000113.1C199 W200 S201 T206 Y207C199-G203 PolarHBondContact O-N 3.48Å; W200-G203 WeakPolarHBondContact O-CA 3.47Å; W200-G203 PolarHBondContact O-N 3.32Å; S201-G203 VanDerWaalsContact C-N 3.31Å; S201-G203 PolarHBondContact O-N 3.3Å; G203-T206 PolarHBondContact O-N 3.1Å; G203-Y207 PolarHBondContact O-N 3.11Å
204V95.9Very high92.9Very high1 Ų111.8 Ų11.81%0.0067%0.066CC..Hα-helixtrans-62.2-42.9175.7174.50000111.6Y182 W200 S201 Y207 I208 P215 F216 M255Y182-V204 HydrophobicContact CD1-CB 4.11Å; Y182-V204 HydrophobicContact CD1-CG1 3.43Å; Y182-V204 VanDerWaalsContact CD1-CG1 3.43Å; Y182-V204 HydrophobicContact CE1-CG1 3.75Å; Y182-V204 HydrophobicContact CG-CG1 4.21Å; W200-V204 PolarHBondContact O-N 2.81Å; S201-V204 PolarHBondContact O-N 3.04Å; V204-Y207 WeakPolarHBondContact O-CB 3.45Å; V204-Y207 PolarHBondContact O-N 3.23Å; V204-I208 HydrophobicContact CG1-CD1 4.07Å; V204-I208 WeakPolarHBondContact O-CD1 3.21Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 3.09Å; V204-I208 VanDerWaalsContact O-N 3.14Å; V204-P215 HydrophobicContact CB-CG 4.38Å; V204-P215 HydrophobicContact CG1-CG 3.94Å; V204-P215 HydrophobicContact CG2-CG 4.19Å; V204-F216 HydrophobicContact CG2-CE2 4.31Å; V204-M255 HydrophobicContact CG2-CE 3.76Å; V204-M255 HydrophobicContact CG2-SD 4.02Å
205I94.5Very high93.8Very high0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-65.3-40.8177-66.4163.9000110.5I121 P143 I146 Y182 S201 I202 Y207 I208 L209I121-I205 HydrophobicContact CD1-CG2 4.27Å; P143-I205 HydrophobicContact CG-CG1 4.27Å; I146-I205 HydrophobicContact CD1-CD1 3.8Å; I146-I205 HydrophobicContact CD1-CG2 4.19Å; Y182-I205 HydrophobicContact CD1-CG1 4.07Å; Y182-I205 HydrophobicContact CE1-CG1 4.03Å; S201-I205 WeakPolarHBondContact O-CD1 3.34Å; S201-I205 VanDerWaalsContact O-CG1 3.23Å; S201-I205 WeakPolarHBondContact O-CG1 3.45Å; S201-I205 PolarHBondContact O-N 3.44Å; I202-I205 PolarHBondContact O-N 3.24Å; I205-Y207 VanDerWaalsContact C-N 3.32Å; I205-Y207 PolarHBondContact O-N 3.35Å; I205-I208 PolarHBondContact O-N 3.06Å; I205-L209 HydrophobicContact CG2-CD1 3.95Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.3Å; I205-L209 VanDerWaalsContact O-CG 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.38Å; I205-L209 PolarHBondContact O-N 3.32Å
206T98Very high93.9Very high0 Ų05.3 Ų5.30%03%0.031CC..Hα-helixtrans-62.2-38.9175.3-50.80000111.9I121 I202 G203 L209 L210 F250 I251 W273I121-T206 VanDerWaalsContact CD1-OG1 3.27Å; I121-T206 WeakPolarHBondContact CD1-OG1 3.25Å; I121-T206 HydrophobicContact CG1-CG2 4.17Å; I121-T206 WeakPolarHBondContact CG1-OG1 3.38Å; I202-T206 WeakPolarHBondContact O-CB 3.46Å; I202-T206 PolarHBondContact O-N 3.27Å; I202-T206 PolarHBondContact O-OG1 3.44Å; G203-T206 PolarHBondContact O-N 3.1Å; T206-L209 PolarHBondContact O-N 2.94Å; T206-L210 HydrophobicContact CG2-CD1 4.42Å; T206-L210 WeakPolarHBondContact O-CG 3.34Å; T206-L210 PolarHBondContact O-N 3.48Å; T206-F250 HydrophobicContact CG2-CD1 3.91Å; T206-F250 HydrophobicContact CG2-CE1 3.91Å; T206-I251 HydrophobicContact CG2-CD1 4.19Å; T206-I251 HydrophobicContact CG2-CG1 3.91Å; T206-W273 HydrophobicContact CG2-CH2 3.73Å; T206-W273 HydrophobicContact CG2-CZ3 3.66Å
207Y97.5Very high93.4Very high1 Ų110.6 Ų10.60%0.0045%0.049CC..Hα-helixtrans-59.9-52.5174.4-174.1-76.4000110.9G203 V204 I205 L209 L210 C211 Y213 P215 Y233 E234 F235 W240 I251G203-Y207 PolarHBondContact O-N 3.11Å; V204-Y207 WeakPolarHBondContact O-CB 3.45Å; V204-Y207 PolarHBondContact O-N 3.23Å; I205-Y207 VanDerWaalsContact C-N 3.32Å; I205-Y207 PolarHBondContact O-N 3.35Å; Y207-L209 VanDerWaalsContact C-N 3.29Å; Y207-L209 PolarHBondContact O-N 3.22Å; Y207-L210 PolarHBondContact O-N 3.05Å; Y207-C211 VanDerWaalsContact CD1-SG 3.54Å; Y207-C211 WeakPolarHBondContact CE1-SG 3.4Å; Y207-C211 PolarHBondContact O-N 3.07Å; Y207-C211 PolarHBondContact O-SG 3.4Å; Y207-Y213 VanDerWaalsContact CD1-O 3.3Å; Y207-Y213 WeakPolarHBondContact CD1-O 3.35Å; Y207-Y213 AromaticContact CE1-CD2 3.98Å; Y207-Y213 HydrophobicContact CE1-CD2 3.98Å; Y207-Y213 AromaticContact CE1-CE2 3.77Å; Y207-Y213 HydrophobicContact CE1-CE2 3.77Å; Y207-Y213 WeakPolarHBondContact CE1-O 3.43Å; Y207-Y213 AromaticContact CZ-CE2 3.98Å; Y207-Y213 VanDerWaalsContact OH-CE2 3.23Å; Y207-Y213 WeakPolarHBondContact OH-CE2 3.1Å; Y207-Y213 PolarHBondContact OH-OH 3.49Å; Y207-P215 HydrophobicContact CD1-CB 3.72Å; Y207-P215 VanDerWaalsContact CD1-CD 3.5Å; Y207-P215 HydrophobicContact CD1-CG 4.02Å; Y207-P215 HydrophobicContact CD2-CB 3.8Å; Y207-P215 HydrophobicContact CD2-CG 4.49Å; Y207-P215 VanDerWaalsContact CE1-CA 3.49Å; Y207-P215 HydrophobicContact CE1-CB 3.82Å; Y207-P215 HydrophobicContact CE2-CB 3.9Å; Y207-P215 HydrophobicContact CG-CB 3.72Å; Y207-P215 HydrophobicContact CG-CG 4Å; Y207-Y233 HydrophobicContact CD2-CD2 4.42Å; Y207-Y233 HydrophobicContact CE2-CD2 4.19Å; Y207-E234 WeakPolarHBondContact CE2-O 3.44Å; Y207-E234 PolarHBondContact OH-O 3.26Å; Y207-F235 HydrophobicContact CD2-CD1 4.24Å; Y207-F235 AromaticContact CD2-CE1 3.9Å; Y207-F235 HydrophobicContact CD2-CE1 3.9Å; Y207-F235 AromaticContact CE2-CD1 3.78Å; Y207-F235 HydrophobicContact CE2-CD1 3.78Å; Y207-F235 AromaticContact CE2-CE1 3.88Å; Y207-F235 HydrophobicContact CE2-CE1 3.88Å; Y207-W240 AromaticContact CD1-CZ2 3.83Å; Y207-W240 HydrophobicContact CD1-CZ2 3.83Å; Y207-W240 AromaticContact CD2-CH2 3.86Å; Y207-W240 HydrophobicContact CD2-CH2 3.86Å; Y207-W240 AromaticContact CD2-CZ2 3.44Å; Y207-W240 HydrophobicContact CD2-CZ2 3.44Å; Y207-W240 VanDerWaalsContact CD2-CZ2 3.44Å; Y207-W240 AromaticContact CE1-CZ2 3.81Å; Y207-W240 HydrophobicContact CE1-CZ2 3.81Å; Y207-W240 AromaticContact CE2-CE2 3.81Å; Y207-W240 HydrophobicContact CE2-CH2 4.2Å; Y207-W240 AromaticContact CE2-CZ2 3.42Å; Y207-W240 HydrophobicContact CE2-CZ2 3.42Å; Y207-W240 VanDerWaalsContact CE2-CZ2 3.42Å; Y207-W240 AromaticContact CE2-NE1 3.98Å; Y207-W240 HydrophobicContact CG-CH2 4.11Å; Y207-W240 AromaticContact CG-CZ2 3.64Å; Y207-W240 HydrophobicContact CG-CZ2 3.64Å; Y207-W240 AromaticContact CZ-CE2 3.79Å; Y207-W240 AromaticContact CZ-CZ2 3.61Å; Y207-W240 AromaticContact CZ-NE1 3.54Å; Y207-W240 PolarHBondContact OH-NE1 3.24Å; Y207-I251 HydrophobicContact CD2-CD1 4.47Å; Y207-I251 HydrophobicContact CD2-CG2 4.26Å
208I94.1Very high93.1Very high2 Ų212.8 Ų12.81%0.016%0.059CC..Hα-helixtrans-63.5-35.9-179.3-56.7155.7000111.2F103 Y182 V204 I205 L210 C211 G212 Y213 P214 F296F103-I208 HydrophobicContact CE1-CG2 3.97Å; F103-I208 HydrophobicContact CE2-CG2 3.9Å; F103-I208 HydrophobicContact CZ-CB 3.88Å; F103-I208 HydrophobicContact CZ-CG2 3.33Å; Y182-I208 HydrophobicContact CE1-CD1 3.49Å; Y182-I208 VanDerWaalsContact CE1-CD1 3.49Å; Y182-I208 WeakPolarHBondContact OH-CD1 3.42Å; V204-I208 HydrophobicContact CG1-CD1 4.07Å; V204-I208 WeakPolarHBondContact O-CD1 3.21Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 3.09Å; V204-I208 VanDerWaalsContact O-N 3.14Å; I205-I208 PolarHBondContact O-N 3.06Å; I208-L210 PolarHBondContact O-N 3.12Å; I208-C211 PolarHBondContact O-N 3.35Å; I208-G212 VanDerWaalsContact O-CA 3.27Å; I208-G212 WeakPolarHBondContact O-CA 3.41Å; I208-G212 PolarHBondContact O-N 2.79Å; I208-Y213 WeakPolarHBondContact CG1-O 3.46Å; I208-P214 HydrophobicContact CD1-CB 4.43Å; I208-P214 HydrophobicContact CG1-CB 4.41Å; I208-F296 HydrophobicContact CG2-CE2 4.34Å
209L94.6Very high92.3Very high0 Ų022.2 Ų22.20%010%0.103CC..Hα-helixtrans-63.3-16.6175.9-78.5168.5000114.4L102 F103 I106 Y112 A117 V120 I121 I205 T206 Y207L102-L209 HydrophobicContact CD1-CD2 4.22Å; L102-L209 HydrophobicContact CD2-CD1 4.23Å; L102-L209 HydrophobicContact CD2-CD2 3.9Å; L102-L209 HydrophobicContact CD2-CG 4.45Å; L102-L209 HydrophobicContact CG-CD2 4.05Å; F103-L209 HydrophobicContact CD1-CD2 4.34Å; F103-L209 HydrophobicContact CE1-CD2 3.61Å; F103-L209 HydrophobicContact CE1-CG 4.12Å; F103-L209 HydrophobicContact CZ-CD2 4.12Å; F103-L209 HydrophobicContact CZ-CG 4.23Å; I106-L209 HydrophobicContact CD1-CD2 3.41Å; I106-L209 VanDerWaalsContact CD1-CD2 3.41Å; Y112-L209 WeakPolarHBondContact CE1-O 3.38Å; Y112-L209 WeakPolarHBondContact OH-CD2 3.24Å; Y112-L209 PolarHBondContact OH-O 3.46Å; A117-L209 HydrophobicContact CB-CB 4.28Å; V120-L209 HydrophobicContact CG1-CD1 4.18Å; I121-L209 HydrophobicContact CD1-CD1 3.68Å; I121-L209 HydrophobicContact CG1-CD1 3.88Å; I205-L209 HydrophobicContact CG2-CD1 3.95Å; I205-L209 HydrophobicContact CG2-CG 4.41Å; I205-L209 WeakPolarHBondContact O-CB 3.3Å; I205-L209 VanDerWaalsContact O-CG 3.32Å; I205-L209 WeakPolarHBondContact O-CG 3.38Å; I205-L209 PolarHBondContact O-N 3.32Å; T206-L209 PolarHBondContact O-N 2.94Å; Y207-L209 VanDerWaalsContact C-N 3.29Å; Y207-L209 PolarHBondContact O-N 3.22Å
210L96.8Very high91.7Very high1 Ų124.5 Ų24.51%0.00512%0.119CC..Hα-helixtrans-108.7-15.6-178-67.2179.1000114.5E114 A117 T206 Y207 I208 W240 I243 A247 I251 W273 I284 V288E114-L210 HydrophobicContact CG-CD2 3.88Å; A117-L210 HydrophobicContact CB-CD2 3.59Å; A117-L210 HydrophobicContact CB-CG 4.38Å; T206-L210 HydrophobicContact CG2-CD1 4.42Å; T206-L210 WeakPolarHBondContact O-CG 3.34Å; T206-L210 PolarHBondContact O-N 3.48Å; Y207-L210 PolarHBondContact O-N 3.05Å; I208-L210 PolarHBondContact O-N 3.12Å; L210-W240 HydrophobicContact CB-CH2 3.79Å; L210-W240 HydrophobicContact CB-CZ3 4.09Å; L210-W240 HydrophobicContact CD1-CH2 4.34Å; L210-W240 HydrophobicContact CD1-CZ3 4.22Å; L210-I243 HydrophobicContact CB-CD1 4.4Å; L210-I243 HydrophobicContact CD1-CG2 4.13Å; L210-A247 HydrophobicContact CD1-CB 3.66Å; L210-I251 HydrophobicContact CD1-CD1 4.16Å; L210-W273 HydrophobicContact CD1-CH2 4.29Å; L210-W273 HydrophobicContact CD1-CZ2 3.96Å; L210-W273 HydrophobicContact CD2-CZ2 4.13Å; L210-I284 HydrophobicContact CD2-CD1 4.07Å; L210-V288 WeakPolarHBondContact O-CG2 3.33Å
211C94.2Very high90.9Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-134-10.3179.869.90000115.1Y207 I208 Y213 F239 W240 Q291Y207-C211 VanDerWaalsContact CD1-SG 3.54Å; Y207-C211 WeakPolarHBondContact CE1-SG 3.4Å; Y207-C211 PolarHBondContact O-N 3.07Å; Y207-C211 PolarHBondContact O-SG 3.4Å; I208-C211 PolarHBondContact O-N 3.35Å; C211-Y213 VanDerWaalsContact C-N 3.33Å; C211-Y213 HydrophobicContact CB-CD1 3.73Å; C211-Y213 HydrophobicContact CB-CE1 3.52Å; C211-Y213 WeakPolarHBondContact O-CD1 3.42Å; C211-Y213 PolarHBondContact O-N 3.25Å; C211-Y213 WeakPolarHBondContact SG-CD1 3.33Å; C211-Y213 VanDerWaalsContact SG-CE1 3.52Å; C211-Y213 PolarHBondContact SG-O 2.99Å; C211-F239 HydrophobicContact CB-CB 4.34Å; C211-W240 HydrophobicContact CB-CZ2 3.74Å; C211-Q291 VanDerWaalsContact O-CB 3.24Å; C211-Q291 WeakPolarHBondContact O-CB 3.44Å; C211-Q291 WeakPolarHBondContact O-CG 3.5Å
212G91.3Very high90.3Very high0 Ų035.9 Ų35.90%018%0.179CC..SBendtrans7312.5-178.700000116.2I208 Q291 I292 N295I208-G212 VanDerWaalsContact O-CA 3.27Å; I208-G212 WeakPolarHBondContact O-CA 3.41Å; I208-G212 PolarHBondContact O-N 2.79Å; G212-Q291 CarbonylContact O-C 3.53Å; G212-Q291 VanDerWaalsContact O-C 3.26Å; G212-Q291 WeakPolarHBondContact O-CB 3.44Å; G212-I292 PolarHBondContact O-N 3.04Å; G212-N295 PolarHBondContact O-ND2 3.33Å
213Y89.9Confident89.7Confident30 Ų3043.4 Ų43.412%0.11821%0.208CC..SBendtrans-136.8153.6175.968.9-92.2000112.7Y207 I208 C211 D236 F239 W240 Q291 N295Y207-Y213 VanDerWaalsContact CD1-O 3.3Å; Y207-Y213 WeakPolarHBondContact CD1-O 3.35Å; Y207-Y213 AromaticContact CE1-CD2 3.98Å; Y207-Y213 HydrophobicContact CE1-CD2 3.98Å; Y207-Y213 AromaticContact CE1-CE2 3.77Å; Y207-Y213 HydrophobicContact CE1-CE2 3.77Å; Y207-Y213 WeakPolarHBondContact CE1-O 3.43Å; Y207-Y213 AromaticContact CZ-CE2 3.98Å; Y207-Y213 VanDerWaalsContact OH-CE2 3.23Å; Y207-Y213 WeakPolarHBondContact OH-CE2 3.1Å; Y207-Y213 PolarHBondContact OH-OH 3.49Å; I208-Y213 WeakPolarHBondContact CG1-O 3.46Å; C211-Y213 VanDerWaalsContact C-N 3.33Å; C211-Y213 HydrophobicContact CB-CD1 3.73Å; C211-Y213 HydrophobicContact CB-CE1 3.52Å; C211-Y213 WeakPolarHBondContact O-CD1 3.42Å; C211-Y213 PolarHBondContact O-N 3.25Å; C211-Y213 WeakPolarHBondContact SG-CD1 3.33Å; C211-Y213 VanDerWaalsContact SG-CE1 3.52Å; C211-Y213 PolarHBondContact SG-O 2.99Å; Y213-D236 WeakPolarHBondContact OH-CB 3.46Å; Y213-D236 PolarHBondContact OH-OD2 3.44Å; Y213-F239 HydrophobicContact CE1-CB 3.81Å; Y213-F239 AromaticContact CE1-CD2 3.62Å; Y213-F239 HydrophobicContact CE1-CD2 3.62Å; Y213-F239 HydrophobicContact CE1-CE2 4.37Å; Y213-F239 AromaticContact CE1-CG 3.76Å; Y213-F239 HydrophobicContact CE1-CG 3.76Å; Y213-W240 AromaticContact CZ-NE1 3.74Å; Y213-W240 VanDerWaalsContact OH-CD1 3.28Å; Y213-W240 PolarHBondContact OH-NE1 3.44Å; Y213-Q291 HydrophobicContact CD1-CG 4.34Å; Y213-N295 VanDerWaalsContact CB-ND2 3.25Å; Y213-N295 WeakPolarHBondContact CB-ND2 3.17Å
214P91.2Very high89.1Confident36 Ų3644.5 Ų44.523%0.23421%0.214CC..  trans-73.5142179.829.1-34.4000112.3I208 F216 Y217I208-P214 HydrophobicContact CD1-CB 4.43Å; I208-P214 HydrophobicContact CG1-CB 4.41Å; P214-F216 PolarHBondContact O-N 3.04Å; P214-F216 VanDerWaalsContact O-N 3.1Å; P214-Y217 HydrophobicContact CG-CD2 4.34Å
215P92.3Very high88.6Confident11 Ų1147.1 Ų47.17%0.07123%0.225CC..SBendtrans-64.5-16.4179.524.5-32.3000113.7V204 Y207 Y233 M255V204-P215 HydrophobicContact CB-CG 4.38Å; V204-P215 HydrophobicContact CG1-CG 3.94Å; V204-P215 HydrophobicContact CG2-CG 4.19Å; Y207-P215 HydrophobicContact CD1-CB 3.72Å; Y207-P215 VanDerWaalsContact CD1-CD 3.5Å; Y207-P215 HydrophobicContact CD1-CG 4.02Å; Y207-P215 HydrophobicContact CD2-CB 3.8Å; Y207-P215 HydrophobicContact CD2-CG 4.49Å; Y207-P215 VanDerWaalsContact CE1-CA 3.49Å; Y207-P215 HydrophobicContact CE1-CB 3.82Å; Y207-P215 HydrophobicContact CE2-CB 3.9Å; Y207-P215 HydrophobicContact CG-CB 3.72Å; Y207-P215 HydrophobicContact CG-CG 4Å; P215-Y233 HydrophobicContact CB-CG 4.22Å; P215-Y233 WeakPolarHBondContact O-CB 3.45Å; P215-M255 HydrophobicContact CB-CE 3.95Å; P215-M255 HydrophobicContact CG-CE 3.71Å; P215-M255 HydrophobicContact CG-SD 4.2Å
216F89.1Confident88.3Confident5 Ų549.3 Ų49.32%0.02224%0.241CC..  trans-125.5108.3175.6-47.5-69000109W200 V204 P214 L224 K227 I228 Q232 Y233 M255W200-F216 HydrophobicContact CH2-CE2 4.38Å; W200-F216 AromaticContact CH2-CZ 3.92Å; W200-F216 HydrophobicContact CH2-CZ 3.92Å; W200-F216 AromaticContact CZ2-CE2 3.55Å; W200-F216 HydrophobicContact CZ2-CE2 3.55Å; W200-F216 AromaticContact CZ2-CZ 3.53Å; W200-F216 HydrophobicContact CZ2-CZ 3.53Å; V204-F216 HydrophobicContact CG2-CE2 4.31Å; P214-F216 PolarHBondContact O-N 3.04Å; P214-F216 VanDerWaalsContact O-N 3.1Å; F216-L224 HydrophobicContact CB-CD1 3.61Å; F216-L224 VanDerWaalsContact O-CD1 3.28Å; F216-L224 WeakPolarHBondContact O-CD1 3.21Å; F216-K227 HydrophobicContact CD1-CB 4.05Å; F216-I228 HydrophobicContact CB-CG1 4.03Å; F216-I228 HydrophobicContact CD1-CG1 4.1Å; F216-I228 HydrophobicContact CD2-CD1 4.41Å; F216-I228 HydrophobicContact CD2-CG1 3.59Å; F216-I228 HydrophobicContact CE1-CG1 4.46Å; F216-I228 HydrophobicContact CE2-CG1 4.01Å; F216-I228 HydrophobicContact CG-CG1 3.63Å; F216-I228 HydrophobicContact CZ-CG1 4.43Å; F216-Q232 WeakPolarHBondContact CE1-O 3.49Å; F216-Y233 AromaticContact CE1-CD1 3.87Å; F216-Y233 HydrophobicContact CE1-CD1 3.87Å; F216-Y233 HydrophobicContact CE1-CG 4.29Å; F216-Y233 AromaticContact CZ-CD1 3.81Å; F216-Y233 HydrophobicContact CZ-CD1 3.81Å; F216-Y233 HydrophobicContact CZ-CG 4.42Å; F216-M255 HydrophobicContact CD2-CE 4.46Å; F216-M255 HydrophobicContact CE1-CE 4.49Å; F216-M255 HydrophobicContact CE2-CE 3.38Å; F216-M255 HydrophobicContact CZ-CE 3.4Å
217Y80.1Confident87.9Confident125 Ų12552 Ų5249%0.4925%0.252SS..  trans-131.9130.6170.5-167-93.9000109.9P214 K302P214-Y217 HydrophobicContact CG-CD2 4.34Å; Y217-K302 PolarHBondContact OH-NZ 3.31Å; Y217-K302 VanDerWaalsContact OH-NZ 3.14Å
218E82Confident87.5Confident51 Ų5152 Ų5224%0.23825%0.252CS..  trans-152.8152.2177.7-77.2-70.2147.600108.4S220 R223 L224 K227E218-S220 VanDerWaalsContact C-N 3.28Å; E218-S220 PolarHBondContact O-N 3.32Å; E218-R223 HydrophobicContact CB-CB 3.94Å; E218-R223 HydrophobicContact CG-CB 3.65Å; E218-R223 WeakPolarHBondContact OE2-CB 3.3Å; E218-R223 WeakPolarHBondContact OE2-CD 3.28Å; E218-R223 IonicContact OE2-NH1 3.79Å; E218-L224 HydrophobicContact CB-CB 4.16Å; E218-K227 HydrophobicContact CG-CD 4.04Å; E218-K227 WeakPolarHBondContact OE1-CE 3.48Å; E218-K227 IonicContact OE1-NZ 3.24Å; E218-K227 PolarHBondContact OE1-NZ 2.87Å
219E75.9Confident87.2Confident197 Ų19755.4 Ų55.492%0.92127%0.269SS*.SBendtrans-73.6-21174.7-59.9-179.8152.300113.1
220S82.6Confident87.1Confident49 Ų4960.8 Ų60.834%0.34329%0.292SS..SBendtrans-118.2125.4-176.8174.30000110.3E218 T222 R223 L224E218-S220 VanDerWaalsContact C-N 3.28Å; E218-S220 PolarHBondContact O-N 3.32Å; S220-T222 PolarHBondContact O-N 2.77Å; S220-R223 WeakPolarHBondContact O-CA 3.38Å; S220-R223 WeakPolarHBondContact O-CB 3.46Å; S220-R223 PolarHBondContact O-N 3.13Å; S220-L224 PolarHBondContact O-N 3.17Å
221E79.4Confident87Confident130 Ų13061.8 Ų61.861%0.60730%0.301SS*.Hα-helixtrans-55-39.5176.9-61.3-173.7157.100112.1R223 L224 F225E221-R223 PolarHBondContact O-N 3.29Å; E221-L224 WeakPolarHBondContact O-CB 3.41Å; E221-L224 PolarHBondContact O-N 3.49Å; E221-L224 VanDerWaalsContact O-N 3.12Å; E221-F225 HydrophobicContact CB-CD2 4.23Å; E221-F225 HydrophobicContact CB-CE2 3.81Å; E221-F225 HydrophobicContact CB-CZ 4.42Å; E221-F225 WeakPolarHBondContact O-CB 3.29Å; E221-F225 WeakPolarHBondContact O-CD2 3.27Å; E221-F225 VanDerWaalsContact O-CG 3.28Å; E221-F225 WeakPolarHBondContact O-CG 3.38Å; E221-F225 PolarHBondContact O-N 3.06Å
222T81.3Confident87Confident114 Ų11465.8 Ų65.870%0.69932%0.32SS*.Hα-helixtrans-57.9-35.3175.2-45.70000112.5S220 S226S220-T222 PolarHBondContact O-N 2.77Å; T222-S226 WeakPolarHBondContact O-CB 3.41Å; T222-S226 PolarHBondContact O-N 3.18Å; T222-S226 VanDerWaalsContact O-N 3.16Å
223R85.5Confident87.1Confident159 Ų15967.6 Ų67.660%0.633%0.327SS*.Hα-helixtrans-78.1-41174.5-64.3-173.6177.1-166.71.1111.7E218 S220 E221 S226 K227E218-R223 HydrophobicContact CB-CB 3.94Å; E218-R223 HydrophobicContact CG-CB 3.65Å; E218-R223 WeakPolarHBondContact OE2-CB 3.3Å; E218-R223 WeakPolarHBondContact OE2-CD 3.28Å; E218-R223 IonicContact OE2-NH1 3.79Å; S220-R223 WeakPolarHBondContact O-CA 3.38Å; S220-R223 WeakPolarHBondContact O-CB 3.46Å; S220-R223 PolarHBondContact O-N 3.13Å; E221-R223 PolarHBondContact O-N 3.29Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 WeakPolarHBondContact O-CA 3.33Å; R223-S226 WeakPolarHBondContact O-CB 3.32Å; R223-S226 PolarHBondContact O-N 2.8Å; R223-K227 PolarHBondContact O-N 3.3Å
224L85Confident87.4Confident23 Ų2371.7 Ų71.712%0.1235%0.347CS..Hα-helixtrans-55.4-53.8175.3-176.667.3000110.7P180 F216 E218 S220 E221 S226 K227 I228P180-L224 HydrophobicContact CB-CD2 3.86Å; F216-L224 HydrophobicContact CB-CD1 3.61Å; F216-L224 VanDerWaalsContact O-CD1 3.28Å; F216-L224 WeakPolarHBondContact O-CD1 3.21Å; E218-L224 HydrophobicContact CB-CB 4.16Å; S220-L224 PolarHBondContact O-N 3.17Å; E221-L224 WeakPolarHBondContact O-CB 3.41Å; E221-L224 PolarHBondContact O-N 3.49Å; E221-L224 VanDerWaalsContact O-N 3.12Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 3.47Å; L224-K227 PolarHBondContact O-N 2.84Å; L224-I228 HydrophobicContact CD1-CD1 4.43Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 3.07Å
225F84.7Confident87.7Confident56 Ų5672 Ų7225%0.24635%0.345CS..Hα-helixtrans-60.4-35.4174.3-60.9-43.3000111.9P180 L188 E221 I228 M229P180-F225 HydrophobicContact CB-CE1 3.99Å; P180-F225 HydrophobicContact CB-CZ 4.48Å; L188-F225 HydrophobicContact CD1-CB 4.31Å; L188-F225 HydrophobicContact CD1-CD1 3.67Å; L188-F225 HydrophobicContact CD1-CE1 4.48Å; L188-F225 HydrophobicContact CD1-CG 4.38Å; L188-F225 HydrophobicContact CD2-CD1 3.78Å; L188-F225 HydrophobicContact CD2-CE1 3.83Å; L188-F225 HydrophobicContact CG-CD1 4.38Å; E221-F225 HydrophobicContact CB-CD2 4.23Å; E221-F225 HydrophobicContact CB-CE2 3.81Å; E221-F225 HydrophobicContact CB-CZ 4.42Å; E221-F225 WeakPolarHBondContact O-CB 3.29Å; E221-F225 WeakPolarHBondContact O-CD2 3.27Å; E221-F225 VanDerWaalsContact O-CG 3.28Å; E221-F225 WeakPolarHBondContact O-CG 3.38Å; E221-F225 PolarHBondContact O-N 3.06Å; F225-I228 HydrophobicContact CD1-CD1 4.5Å; F225-M229 WeakPolarHBondContact O-CB 3.34Å; F225-M229 WeakPolarHBondContact O-CG 3.45Å; F225-M229 PolarHBondContact O-N 3.41Å
226S88.2Confident87.8Confident46 Ų4674.6 Ų74.632%0.32236%0.358SS..Hα-helixtrans-64.3-42.3174.6-159.70000112.7T222 R223 L224 K230T222-S226 WeakPolarHBondContact O-CB 3.41Å; T222-S226 PolarHBondContact O-N 3.18Å; T222-S226 VanDerWaalsContact O-N 3.16Å; R223-S226 CarbonylContact O-C 3.59Å; R223-S226 WeakPolarHBondContact O-CA 3.33Å; R223-S226 WeakPolarHBondContact O-CB 3.32Å; R223-S226 PolarHBondContact O-N 2.8Å; L224-S226 VanDerWaalsContact C-N 3.28Å; L224-S226 PolarHBondContact O-N 3.47Å; S226-K230 WeakPolarHBondContact O-CB 3.25Å; S226-K230 VanDerWaalsContact O-CD 3.31Å; S226-K230 WeakPolarHBondContact O-CD 3.36Å; S226-K230 VanDerWaalsContact O-CG 3.22Å; S226-K230 WeakPolarHBondContact O-CG 3.23Å; S226-K230 PolarHBondContact O-N 3.09Å; S226-K230 VanDerWaalsContact O-N 3.11Å; S226-K230 PolarHBondContact OG-NZ 3.18Å
227K90.1Very high88Confident56 Ų5678.4 Ų78.424%0.24339%0.385CS..Hα-helixtrans-63.8-48.8174.3-88.8-177.7167.4164.80111.4F216 E218 R223 L224 M229 K230 A231 Q232F216-K227 HydrophobicContact CD1-CB 4.05Å; E218-K227 HydrophobicContact CG-CD 4.04Å; E218-K227 WeakPolarHBondContact OE1-CE 3.48Å; E218-K227 IonicContact OE1-NZ 3.24Å; E218-K227 PolarHBondContact OE1-NZ 2.87Å; R223-K227 PolarHBondContact O-N 3.3Å; L224-K227 PolarHBondContact O-N 2.84Å; K227-M229 PolarHBondContact O-N 3.12Å; K227-K230 CarbonylContact O-C 3.44Å; K227-K230 WeakPolarHBondContact O-CA 3.46Å; K227-K230 PolarHBondContact O-N 3.16Å; K227-A231 PolarHBondContact O-N 3.44Å; K227-Q232 HydrophobicContact CG-CB 4.3Å; K227-Q232 PolarHBondContact O-N 2.78Å
228I89.3Confident88.7Confident0 Ų076.7 Ų76.70%039%0.389CS..Hα-helixtrans-58.3-50.2176.6-63.5162.6000110.5P180 V183 P185 L188 W200 F216 L224 F225 K230 A231P180-I228 VanDerWaalsContact O-CD1 3.27Å; P180-I228 WeakPolarHBondContact O-CD1 3.47Å; V183-I228 WeakPolarHBondContact O-CG2 3.45Å; P185-I228 HydrophobicContact CG-CG2 4.32Å; P185-I228 WeakPolarHBondContact CG-O 3.49Å; L188-I228 HydrophobicContact CD1-CB 3.89Å; L188-I228 HydrophobicContact CD1-CD1 4.24Å; L188-I228 HydrophobicContact CD1-CG2 3.52Å; W200-I228 HydrophobicContact CZ2-CG2 4.05Å; F216-I228 HydrophobicContact CB-CG1 4.03Å; F216-I228 HydrophobicContact CD1-CG1 4.1Å; F216-I228 HydrophobicContact CD2-CD1 4.41Å; F216-I228 HydrophobicContact CD2-CG1 3.59Å; F216-I228 HydrophobicContact CE1-CG1 4.46Å; F216-I228 HydrophobicContact CE2-CG1 4.01Å; F216-I228 HydrophobicContact CG-CG1 3.63Å; F216-I228 HydrophobicContact CZ-CG1 4.43Å; L224-I228 HydrophobicContact CD1-CD1 4.43Å; L224-I228 HydrophobicContact CG-CD1 4.01Å; L224-I228 WeakPolarHBondContact O-CG1 3.32Å; L224-I228 PolarHBondContact O-N 3.07Å; F225-I228 HydrophobicContact CD1-CD1 4.5Å; I228-K230 PolarHBondContact O-N 2.67Å; I228-K230 VanDerWaalsContact O-N 3.08Å; I228-A231 PolarHBondContact O-N 3.35Å
229M87.8Confident89.3Confident75 Ų7577 Ų7737%0.36939%0.39SS..Hα-helixtrans-62.3-16.9177.5-74.4-74.4-73.300114.2P185 L188 A189 F225 K227 K257P185-M229 HydrophobicContact CB-SD 4.49Å; L188-M229 HydrophobicContact CB-CG 4.31Å; L188-M229 HydrophobicContact CB-SD 3.86Å; L188-M229 HydrophobicContact CD1-CG 4.31Å; A189-M229 HydrophobicContact CB-CE 3.96Å; A189-M229 HydrophobicContact CB-SD 4.14Å; F225-M229 WeakPolarHBondContact O-CB 3.34Å; F225-M229 WeakPolarHBondContact O-CG 3.45Å; F225-M229 PolarHBondContact O-N 3.41Å; K227-M229 PolarHBondContact O-N 3.12Å; M229-K257 WeakPolarHBondContact O-CE 3.4Å; M229-K257 PolarHBondContact O-NZ 3.09Å
230K92.4Very high90.3Very high112 Ų11267.7 Ų67.749%0.48735%0.346SS..Hα-helixtrans-94.7-16171.4-72.4164.7-175.5156.90113.2S226 K227 I228 Q232S226-K230 WeakPolarHBondContact O-CB 3.25Å; S226-K230 VanDerWaalsContact O-CD 3.31Å; S226-K230 WeakPolarHBondContact O-CD 3.36Å; S226-K230 VanDerWaalsContact O-CG 3.22Å; S226-K230 WeakPolarHBondContact O-CG 3.23Å; S226-K230 PolarHBondContact O-N 3.09Å; S226-K230 VanDerWaalsContact O-N 3.11Å; S226-K230 PolarHBondContact OG-NZ 3.18Å; K227-K230 CarbonylContact O-C 3.44Å; K227-K230 WeakPolarHBondContact O-CA 3.46Å; K227-K230 PolarHBondContact O-N 3.16Å; I228-K230 PolarHBondContact O-N 2.67Å; I228-K230 VanDerWaalsContact O-N 3.08Å; K230-Q232 HydrophobicContact CB-CB 3.93Å
231A93.9Very high91Very high22 Ų2269.7 Ų69.718%0.18235%0.353CS..THydrogen-bonded Turntrans53.739.5-159.600000112.2W200 K227 I228 Y233 K257W200-A231 HydrophobicContact CH2-CB 3.81Å; W200-A231 HydrophobicContact CZ3-CB 4.12Å; K227-A231 PolarHBondContact O-N 3.44Å; I228-A231 PolarHBondContact O-N 3.35Å; A231-Y233 WeakPolarHBondContact O-CD1 3.48Å; A231-Y233 PolarHBondContact O-N 3.34Å; A231-K257 HydrophobicContact CB-CB 3.77Å; A231-K257 HydrophobicContact CB-CD 4.5Å; A231-K257 HydrophobicContact CB-CG 4.26Å
232Q94.1Very high91.7Very high85 Ų8567.8 Ų67.840%0.39735%0.347SS..  trans-91.193.8-180-175.11790.200110.2F216 K227 K230F216-Q232 WeakPolarHBondContact CE1-O 3.49Å; K227-Q232 HydrophobicContact CG-CB 4.3Å; K227-Q232 PolarHBondContact O-N 2.78Å; K230-Q232 HydrophobicContact CB-CB 3.93Å
233Y95.3Very high92.5Very high38 Ų3862.5 Ų62.515%0.14932%0.315CS..  trans-132.4156168.261.2-83.7000108.1Y207 P215 F216 A231 F235 I251 R252 M255Y207-Y233 HydrophobicContact CD2-CD2 4.42Å; Y207-Y233 HydrophobicContact CE2-CD2 4.19Å; P215-Y233 HydrophobicContact CB-CG 4.22Å; P215-Y233 WeakPolarHBondContact O-CB 3.45Å; F216-Y233 AromaticContact CE1-CD1 3.87Å; F216-Y233 HydrophobicContact CE1-CD1 3.87Å; F216-Y233 HydrophobicContact CE1-CG 4.29Å; F216-Y233 AromaticContact CZ-CD1 3.81Å; F216-Y233 HydrophobicContact CZ-CD1 3.81Å; F216-Y233 HydrophobicContact CZ-CG 4.42Å; A231-Y233 WeakPolarHBondContact O-CD1 3.48Å; A231-Y233 PolarHBondContact O-N 3.34Å; Y233-F235 HydrophobicContact CD2-CZ 4.5Å; Y233-F235 HydrophobicContact CE2-CE1 4.4Å; Y233-F235 HydrophobicContact CE2-CE2 4.18Å; Y233-F235 AromaticContact CE2-CZ 3.85Å; Y233-F235 HydrophobicContact CE2-CZ 3.85Å; Y233-I251 HydrophobicContact CE2-CG2 4.14Å; Y233-R252 WeakPolarHBondContact OH-CA 3.15Å; Y233-M255 HydrophobicContact CD1-CE 3.69Å; Y233-M255 HydrophobicContact CE1-CB 3.8Å; Y233-M255 HydrophobicContact CE1-CE 3.86Å; Y233-M255 HydrophobicContact CG-CE 4.07Å
234E95.5Very high93.1Very high115 Ų11555.2 Ų55.254%0.53729%0.288SS..  trans-129.9166.2-175.1-70.8168.8-129.600109.4Y207Y207-E234 WeakPolarHBondContact CE2-O 3.44Å; Y207-E234 PolarHBondContact OH-O 3.26Å
235F97.4Very high93.7Very high44 Ų4459 Ų5919%0.19331%0.305CS..  trans-112.976.3-179.4-66-66.6000108.1Y207 Y233 W240 K248 I251 R252Y207-F235 HydrophobicContact CD2-CD1 4.24Å; Y207-F235 AromaticContact CD2-CE1 3.9Å; Y207-F235 HydrophobicContact CD2-CE1 3.9Å; Y207-F235 AromaticContact CE2-CD1 3.78Å; Y207-F235 HydrophobicContact CE2-CD1 3.78Å; Y207-F235 AromaticContact CE2-CE1 3.88Å; Y207-F235 HydrophobicContact CE2-CE1 3.88Å; Y233-F235 HydrophobicContact CD2-CZ 4.5Å; Y233-F235 HydrophobicContact CE2-CE1 4.4Å; Y233-F235 HydrophobicContact CE2-CE2 4.18Å; Y233-F235 AromaticContact CE2-CZ 3.85Å; Y233-F235 HydrophobicContact CE2-CZ 3.85Å; F235-W240 VanDerWaalsContact C-CD1 3.45Å; F235-W240 HydrophobicContact CB-CB 3.95Å; F235-W240 HydrophobicContact CB-CD2 4.05Å; F235-W240 HydrophobicContact CB-CE3 4.41Å; F235-W240 HydrophobicContact CB-CG 3.81Å; F235-W240 AromaticContact CD1-CD2 3.57Å; F235-W240 HydrophobicContact CD1-CD2 3.57Å; F235-W240 AromaticContact CD1-CE2 3.76Å; F235-W240 AromaticContact CD1-CE3 3.5Å; F235-W240 HydrophobicContact CD1-CE3 3.5Å; F235-W240 HydrophobicContact CD1-CG 4.24Å; F235-W240 AromaticContact CD1-CH2 3.94Å; F235-W240 HydrophobicContact CD1-CH2 3.94Å; F235-W240 AromaticContact CD1-CZ2 3.98Å; F235-W240 HydrophobicContact CD1-CZ2 3.98Å; F235-W240 AromaticContact CD1-CZ3 3.69Å; F235-W240 HydrophobicContact CD1-CZ3 3.69Å; F235-W240 HydrophobicContact CE1-CD2 4.5Å; F235-W240 HydrophobicContact CE1-CE3 4.13Å; F235-W240 AromaticContact CE1-CH2 3.96Å; F235-W240 HydrophobicContact CE1-CH2 3.96Å; F235-W240 HydrophobicContact CE1-CZ2 4.31Å; F235-W240 AromaticContact CE1-CZ3 3.83Å; F235-W240 HydrophobicContact CE1-CZ3 3.83Å; F235-W240 HydrophobicContact CG-CD2 4.27Å; F235-W240 HydrophobicContact CG-CE3 4.31Å; F235-K248 HydrophobicContact CD1-CG 3.99Å; F235-K248 HydrophobicContact CD2-CB 4.27Å; F235-K248 HydrophobicContact CD2-CD 4.48Å; F235-K248 HydrophobicContact CD2-CG 4.25Å; F235-K248 HydrophobicContact CE1-CB 4.19Å; F235-K248 HydrophobicContact CE1-CG 4.04Å; F235-K248 HydrophobicContact CE2-CB 3.92Å; F235-K248 HydrophobicContact CE2-CG 4.32Å; F235-K248 HydrophobicContact CG-CD 4.33Å; F235-K248 HydrophobicContact CG-CG 4.08Å; F235-K248 HydrophobicContact CZ-CB 3.86Å; F235-K248 HydrophobicContact CZ-CG 4.19Å; F235-I251 HydrophobicContact CE1-CB 4.3Å; F235-I251 HydrophobicContact CE1-CD1 4.16Å; F235-I251 HydrophobicContact CE1-CG2 4.04Å; F235-I251 HydrophobicContact CZ-CB 4.12Å; F235-I251 HydrophobicContact CZ-CG2 3.92Å; F235-R252 HydrophobicContact CE2-CG 4.04Å; F235-R252 HydrophobicContact CZ-CG 4.31Å
236D93.9Very high94.4Very high64 Ų6457.4 Ų57.434%0.34230%0.301SS..  trans-72.1135.3-162.5-40.4-84.4000114Y213 F239 W240Y213-D236 WeakPolarHBondContact OH-CB 3.46Å; Y213-D236 PolarHBondContact OH-OD2 3.44Å; D236-F239 PolarHBondContact O-N 2.91Å; D236-F239 VanDerWaalsContact O-N 3.1Å; D236-W240 PolarHBondContact O-N 3.3Å
237S93.7Very high94.9Very high85 Ų8555.2 Ų55.259%0.59429%0.286SS*.THydrogen-bonded Turntrans-68.8143.3165.3-56.50000110.7D241S237-D241 WeakPolarHBondContact CA-OD1 3.49Å; S237-D241 WeakPolarHBondContact CB-OD1 3.38Å; S237-D241 PolarHBondContact OG-OD1 3.27Å
238P95.1Very high95.3Very high90 Ų9053.5 Ų53.558%0.58428%0.278SS*.THydrogen-bonded Turncis-85.8-10.92.834.9-36.3000114.1W240 D241P238-W240 PolarHBondContact O-N 3.14Å; P238-W240 VanDerWaalsContact O-N 3.14Å; P238-D241 WeakPolarHBondContact CA-OD2 3.43Å; P238-D241 PolarHBondContact O-N 3.31Å
239F94.4Very high95.7Very high58 Ų5856.5 Ų56.525%0.25429%0.294SS..THydrogen-bonded Turntrans-62.3-29.1-166-48.6-69.8000113.9C211 Y213 D236 Q291C211-F239 HydrophobicContact CB-CB 4.34Å; Y213-F239 HydrophobicContact CE1-CB 3.81Å; Y213-F239 AromaticContact CE1-CD2 3.62Å; Y213-F239 HydrophobicContact CE1-CD2 3.62Å; Y213-F239 HydrophobicContact CE1-CE2 4.37Å; Y213-F239 AromaticContact CE1-CG 3.76Å; Y213-F239 HydrophobicContact CE1-CG 3.76Å; D236-F239 PolarHBondContact O-N 2.91Å; D236-F239 VanDerWaalsContact O-N 3.1Å; F239-Q291 HydrophobicContact CD1-CG 4.04Å; F239-Q291 HydrophobicContact CE1-CG 3.93Å
240W97.6Very high96.3Very high0 Ų052.9 Ų52.90%028%0.277CS..THydrogen-bonded Turntrans-103.72.5-177.8-73.191.8000114.6Y207 L210 C211 Y213 F235 D236 P238 I243 K248 I251Y207-W240 AromaticContact CD1-CZ2 3.83Å; Y207-W240 HydrophobicContact CD1-CZ2 3.83Å; Y207-W240 AromaticContact CD2-CH2 3.86Å; Y207-W240 HydrophobicContact CD2-CH2 3.86Å; Y207-W240 AromaticContact CD2-CZ2 3.44Å; Y207-W240 HydrophobicContact CD2-CZ2 3.44Å; Y207-W240 VanDerWaalsContact CD2-CZ2 3.44Å; Y207-W240 AromaticContact CE1-CZ2 3.81Å; Y207-W240 HydrophobicContact CE1-CZ2 3.81Å; Y207-W240 AromaticContact CE2-CE2 3.81Å; Y207-W240 HydrophobicContact CE2-CH2 4.2Å; Y207-W240 AromaticContact CE2-CZ2 3.42Å; Y207-W240 HydrophobicContact CE2-CZ2 3.42Å; Y207-W240 VanDerWaalsContact CE2-CZ2 3.42Å; Y207-W240 AromaticContact CE2-NE1 3.98Å; Y207-W240 HydrophobicContact CG-CH2 4.11Å; Y207-W240 AromaticContact CG-CZ2 3.64Å; Y207-W240 HydrophobicContact CG-CZ2 3.64Å; Y207-W240 AromaticContact CZ-CE2 3.79Å; Y207-W240 AromaticContact CZ-CZ2 3.61Å; Y207-W240 AromaticContact CZ-NE1 3.54Å; Y207-W240 PolarHBondContact OH-NE1 3.24Å; L210-W240 HydrophobicContact CB-CH2 3.79Å; L210-W240 HydrophobicContact CB-CZ3 4.09Å; L210-W240 HydrophobicContact CD1-CH2 4.34Å; L210-W240 HydrophobicContact CD1-CZ3 4.22Å; C211-W240 HydrophobicContact CB-CZ2 3.74Å; Y213-W240 AromaticContact CZ-NE1 3.74Å; Y213-W240 VanDerWaalsContact OH-CD1 3.28Å; Y213-W240 PolarHBondContact OH-NE1 3.44Å; F235-W240 VanDerWaalsContact C-CD1 3.45Å; F235-W240 HydrophobicContact CB-CB 3.95Å; F235-W240 HydrophobicContact CB-CD2 4.05Å; F235-W240 HydrophobicContact CB-CE3 4.41Å; F235-W240 HydrophobicContact CB-CG 3.81Å; F235-W240 AromaticContact CD1-CD2 3.57Å; F235-W240 HydrophobicContact CD1-CD2 3.57Å; F235-W240 AromaticContact CD1-CE2 3.76Å; F235-W240 AromaticContact CD1-CE3 3.5Å; F235-W240 HydrophobicContact CD1-CE3 3.5Å; F235-W240 HydrophobicContact CD1-CG 4.24Å; F235-W240 AromaticContact CD1-CH2 3.94Å; F235-W240 HydrophobicContact CD1-CH2 3.94Å; F235-W240 AromaticContact CD1-CZ2 3.98Å; F235-W240 HydrophobicContact CD1-CZ2 3.98Å; F235-W240 AromaticContact CD1-CZ3 3.69Å; F235-W240 HydrophobicContact CD1-CZ3 3.69Å; F235-W240 HydrophobicContact CE1-CD2 4.5Å; F235-W240 HydrophobicContact CE1-CE3 4.13Å; F235-W240 AromaticContact CE1-CH2 3.96Å; F235-W240 HydrophobicContact CE1-CH2 3.96Å; F235-W240 HydrophobicContact CE1-CZ2 4.31Å; F235-W240 AromaticContact CE1-CZ3 3.83Å; F235-W240 HydrophobicContact CE1-CZ3 3.83Å; F235-W240 HydrophobicContact CG-CD2 4.27Å; F235-W240 HydrophobicContact CG-CE3 4.31Å; D236-W240 PolarHBondContact O-N 3.3Å; P238-W240 PolarHBondContact O-N 3.14Å; P238-W240 VanDerWaalsContact O-N 3.14Å; W240-I243 HydrophobicContact CE3-CB 3.75Å; W240-I243 HydrophobicContact CE3-CG1 3.99Å; W240-I243 HydrophobicContact CE3-CG2 3.63Å; W240-I243 HydrophobicContact CZ3-CB 4.27Å; W240-I243 HydrophobicContact CZ3-CG1 4.48Å; W240-I243 HydrophobicContact CZ3-CG2 3.63Å; W240-I243 PolarHBondContact O-N 2.93Å; W240-K248 HydrophobicContact CE3-CD 4.45Å; W240-K248 HydrophobicContact CE3-CG 3.87Å; W240-K248 HydrophobicContact CZ3-CG 4.07Å; W240-K248 WeakPolarHBondContact O-CE 3.4Å; W240-K248 PolarHBondContact O-NZ 2.96Å; W240-I251 HydrophobicContact CH2-CD1 3.54Å; W240-I251 HydrophobicContact CZ3-CD1 3.91Å
241D95.7Very high96.6Very high92 Ų9247.6 Ų47.649%0.49225%0.253SS..THydrogen-bonded Turntrans-68-44.4-174.2-66.1-10.8000111.3S237 P238 I243S237-D241 WeakPolarHBondContact CA-OD1 3.49Å; S237-D241 WeakPolarHBondContact CB-OD1 3.38Å; S237-D241 PolarHBondContact OG-OD1 3.27Å; P238-D241 WeakPolarHBondContact CA-OD2 3.43Å; P238-D241 PolarHBondContact O-N 3.31Å; D241-I243 VanDerWaalsContact C-N 3.3Å; D241-I243 PolarHBondContact O-N 2.96Å
242D94.6Very high96.8Very high89 Ų8950.7 Ų50.748%0.47626%0.261SS..SBendtrans-78.6-5.4175.9-76.9-58.4000114.4R280 Q282D242-R280 VanDerWaalsContact C-NH1 3.29Å; D242-R280 PolarHBondContact O-NH1 3.45Å; D242-Q282 PolarHBondContact OD1-NE2 2.76Å
243I97.9Very high97Very high4 Ų448.3 Ų48.32%0.02125%0.25CS..SBendtrans-88.2132.2-178.3-54.7-61.4000111.1L210 W240 D241 A247 K248 I284L210-I243 HydrophobicContact CB-CD1 4.4Å; L210-I243 HydrophobicContact CD1-CG2 4.13Å; W240-I243 HydrophobicContact CE3-CB 3.75Å; W240-I243 HydrophobicContact CE3-CG1 3.99Å; W240-I243 HydrophobicContact CE3-CG2 3.63Å; W240-I243 HydrophobicContact CZ3-CB 4.27Å; W240-I243 HydrophobicContact CZ3-CG1 4.48Å; W240-I243 HydrophobicContact CZ3-CG2 3.63Å; W240-I243 PolarHBondContact O-N 2.93Å; D241-I243 VanDerWaalsContact C-N 3.3Å; D241-I243 PolarHBondContact O-N 2.96Å; I243-A247 HydrophobicContact CG2-CB 3.86Å; I243-K248 VanDerWaalsContact O-CE 3.27Å; I243-K248 WeakPolarHBondContact O-CE 3.4Å; I243-K248 PolarHBondContact O-NZ 3.22Å; I243-K248 VanDerWaalsContact O-NZ 3.11Å; I243-I284 HydrophobicContact CD1-CD1 3.71Å; I243-I284 HydrophobicContact CD1-CG2 4.01Å
244S98.2Very high97.1Very high6 Ų646.5 Ų46.54%0.04224%0.243CC..  trans-62.1143.8-175.779.10000113.2E114 S246 A247 K248E114-S244 VanDerWaalsContact OE1-CB 3.25Å; E114-S244 WeakPolarHBondContact OE1-CB 3.38Å; E114-S244 PolarHBondContact OE1-N 2.95Å; E114-S244 PolarHBondContact OE1-OG 3.02Å; E114-S244 WeakPolarHBondContact OE2-CB 3.39Å; E114-S244 PolarHBondContact OE2-OG 3.25Å; S244-S246 PolarHBondContact O-N 3.41Å; S244-A247 WeakPolarHBondContact O-CB 3.27Å; S244-A247 PolarHBondContact O-N 3.32Å; S244-A247 VanDerWaalsContact O-N 3.09Å; S244-A247 PolarHBondContact OG-N 3.21Å; S244-A247 VanDerWaalsContact OG-N 3.07Å; S244-K248 PolarHBondContact O-N 3.34Å; S244-K248 VanDerWaalsContact O-N 3.09Å
245E98.3Very high97.2Very high102 Ų10241.1 Ų41.148%0.47722%0.218SC..Hα-helixtrans-63.6-17.9171.3-83.1-58.9144.900113K248 D249 R252E245-K248 HydrophobicContact CG-CD 4.5Å; E245-K248 WeakPolarHBondContact OE1-CD 3.44Å; E245-K248 IonicContact OE1-NZ 2.67Å; E245-D249 WeakPolarHBondContact O-CB 3.48Å; E245-D249 PolarHBondContact O-N 3.37Å; E245-R252 IonicContact OE1-NH2 2.69Å; E245-R252 IonicContact OE2-CZ 3.3Å; E245-R252 IonicContact OE2-NH1 2.65Å; E245-R252 PolarHBondContact OE2-NH1 3.4Å; E245-R252 IonicContact OE2-NH2 3.17Å; E245-R252 PolarHBondContact OE2-NH2 3.21Å
246S98.6Very high97.2Very high23 Ų2342.6 Ų42.616%0.16123%0.226CC..Hα-helixtrans-74.5-37.7172.3-158.30000111.9S244 F250 H271 T278S244-S246 PolarHBondContact O-N 3.41Å; S246-F250 WeakPolarHBondContact O-CB 3.43Å; S246-F250 PolarHBondContact O-N 3.29Å; S246-H271 PolarHBondContact O-CE1 2.85Å; S246-H271 VanDerWaalsContact O-CE1 3.22Å; S246-T278 VanDerWaalsContact CB-OG1 3.24Å; S246-T278 WeakPolarHBondContact CB-OG1 3.43Å; S246-T278 WeakPolarHBondContact OG-CB 3.4Å; S246-T278 PolarHBondContact OG-OG1 3.43Å
247A98.6Very high97.2Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-64.7-43.9171.100000111.6L210 I243 S244 F250 I251 W273L210-A247 HydrophobicContact CD1-CB 3.66Å; I243-A247 HydrophobicContact CG2-CB 3.86Å; S244-A247 WeakPolarHBondContact O-CB 3.27Å; S244-A247 PolarHBondContact O-N 3.32Å; S244-A247 VanDerWaalsContact O-N 3.09Å; S244-A247 PolarHBondContact OG-N 3.21Å; S244-A247 VanDerWaalsContact OG-N 3.07Å; A247-F250 WeakPolarHBondContact O-CB 3.38Å; A247-F250 PolarHBondContact O-N 2.9Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.34Å; A247-W273 HydrophobicContact CB-CD2 4.29Å; A247-W273 HydrophobicContact CB-CG 4.38Å; A247-W273 HydrophobicContact CB-CZ2 4.26Å
248K98.7Very high97.2Very high19 Ų1943.8 Ų43.88%0.08322%0.221CC..Hα-helixtrans-63.7-41.7176.6-64.2165.7179.7168.50111.7F235 W240 I243 S244 E245 I251 R252F235-K248 HydrophobicContact CD1-CG 3.99Å; F235-K248 HydrophobicContact CD2-CB 4.27Å; F235-K248 HydrophobicContact CD2-CD 4.48Å; F235-K248 HydrophobicContact CD2-CG 4.25Å; F235-K248 HydrophobicContact CE1-CB 4.19Å; F235-K248 HydrophobicContact CE1-CG 4.04Å; F235-K248 HydrophobicContact CE2-CB 3.92Å; F235-K248 HydrophobicContact CE2-CG 4.32Å; F235-K248 HydrophobicContact CG-CD 4.33Å; F235-K248 HydrophobicContact CG-CG 4.08Å; F235-K248 HydrophobicContact CZ-CB 3.86Å; F235-K248 HydrophobicContact CZ-CG 4.19Å; W240-K248 HydrophobicContact CE3-CD 4.45Å; W240-K248 HydrophobicContact CE3-CG 3.87Å; W240-K248 HydrophobicContact CZ3-CG 4.07Å; W240-K248 WeakPolarHBondContact O-CE 3.4Å; W240-K248 PolarHBondContact O-NZ 2.96Å; I243-K248 VanDerWaalsContact O-CE 3.27Å; I243-K248 WeakPolarHBondContact O-CE 3.4Å; I243-K248 PolarHBondContact O-NZ 3.22Å; I243-K248 VanDerWaalsContact O-NZ 3.11Å; S244-K248 PolarHBondContact O-N 3.34Å; S244-K248 VanDerWaalsContact O-N 3.09Å; E245-K248 HydrophobicContact CG-CD 4.5Å; E245-K248 WeakPolarHBondContact OE1-CD 3.44Å; E245-K248 IonicContact OE1-NZ 2.67Å; K248-I251 PolarHBondContact O-N 3.36Å; K248-R252 VanDerWaalsContact O-CG 3.27Å; K248-R252 WeakPolarHBondContact O-CG 3.2Å; K248-R252 PolarHBondContact O-N 3.04Å
249D98.8Very high97Very high63 Ų6341.6 Ų41.634%0.33721%0.206SC..Hα-helixtrans-64.5-42.7174.7-174.160000112.7E245 I251 R252 N253 H271E245-D249 WeakPolarHBondContact O-CB 3.48Å; E245-D249 PolarHBondContact O-N 3.37Å; D249-I251 VanDerWaalsContact C-N 3.31Å; D249-I251 PolarHBondContact O-N 3.32Å; D249-R252 WeakPolarHBondContact O-CB 3.49Å; D249-R252 PolarHBondContact O-N 2.96Å; D249-R252 VanDerWaalsContact O-N 3.14Å; D249-N253 PolarHBondContact O-N 2.98Å; D249-N253 PolarHBondContact O-ND2 3.03Å; D249-N253 PolarHBondContact OD1-ND2 3.14Å; D249-N253 PolarHBondContact OD2-ND2 3.21Å; D249-H271 IonicContact OD2-NE2 2.66Å; D249-H271 PolarHBondContact OD2-NE2 3.09Å
250F98.8Very high96.9Very high0 Ų043.4 Ų43.40%023%0.226CC..Hα-helixtrans-54.4-48.8172.1177.7-97.2000111.3I121 L125 T206 S246 A247 R252 N253 M254 A268 H271 W273 I274I121-F250 HydrophobicContact CG2-CE1 3.92Å; I121-F250 HydrophobicContact CG2-CZ 3.83Å; L125-F250 HydrophobicContact CD1-CE2 4.32Å; L125-F250 HydrophobicContact CD1-CZ 4.06Å; T206-F250 HydrophobicContact CG2-CD1 3.91Å; T206-F250 HydrophobicContact CG2-CE1 3.91Å; S246-F250 WeakPolarHBondContact O-CB 3.43Å; S246-F250 PolarHBondContact O-N 3.29Å; A247-F250 WeakPolarHBondContact O-CB 3.38Å; A247-F250 PolarHBondContact O-N 2.9Å; F250-R252 PolarHBondContact O-N 3.33Å; F250-N253 PolarHBondContact O-N 3.22Å; F250-M254 HydrophobicContact CD1-CG 4.24Å; F250-M254 HydrophobicContact CD2-CG 4.46Å; F250-M254 HydrophobicContact CE1-CG 3.81Å; F250-M254 HydrophobicContact CE2-CG 4.07Å; F250-M254 HydrophobicContact CE2-SD 4.44Å; F250-M254 HydrophobicContact CZ-CE 4.19Å; F250-M254 HydrophobicContact CZ-CG 3.71Å; F250-M254 HydrophobicContact CZ-SD 4.2Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.41Å; F250-M254 PolarHBondContact O-N 3.02Å; F250-A268 HydrophobicContact CE2-CB 3.84Å; F250-A268 HydrophobicContact CZ-CB 4.3Å; F250-H271 HydrophobicContact CD2-CB 3.88Å; F250-H271 AromaticContact CD2-CG 3.76Å; F250-H271 AromaticContact CD2-ND1 3.73Å; F250-H271 HydrophobicContact CE2-CB 4.39Å; F250-W273 HydrophobicContact CB-CE3 4.3Å; F250-W273 AromaticContact CD1-CE3 3.83Å; F250-W273 HydrophobicContact CD1-CE3 3.83Å; F250-W273 AromaticContact CD1-CZ3 3.97Å; F250-W273 HydrophobicContact CD1-CZ3 3.97Å; F250-W273 HydrophobicContact CD2-CE3 4.48Å; F250-W273 HydrophobicContact CE1-CE3 4.3Å; F250-W273 HydrophobicContact CE1-CZ3 4.16Å; F250-W273 AromaticContact CG-CE3 3.94Å; F250-W273 HydrophobicContact CG-CE3 3.94Å; F250-I274 HydrophobicContact CD2-CD1 4.43Å; F250-I274 HydrophobicContact CD2-CG1 3.93Å; F250-I274 HydrophobicContact CE1-CD1 4.35Å; F250-I274 HydrophobicContact CE2-CD1 3.86Å; F250-I274 HydrophobicContact CE2-CG1 3.46Å; F250-I274 VanDerWaalsContact CE2-CG1 3.46Å; F250-I274 HydrophobicContact CZ-CD1 3.83Å; F250-I274 HydrophobicContact CZ-CG1 3.96Å
251I98.7Very high96.8Very high0 Ų049.2 Ų49.20%026%0.255CS..Hα-helixtrans-61.4-43.4176.5-68.4165.6000111.4T206 Y207 L210 Y233 F235 W240 A247 K248 D249 N253 M254 M255T206-I251 HydrophobicContact CG2-CD1 4.19Å; T206-I251 HydrophobicContact CG2-CG1 3.91Å; Y207-I251 HydrophobicContact CD2-CD1 4.47Å; Y207-I251 HydrophobicContact CD2-CG2 4.26Å; L210-I251 HydrophobicContact CD1-CD1 4.16Å; Y233-I251 HydrophobicContact CE2-CG2 4.14Å; F235-I251 HydrophobicContact CE1-CB 4.3Å; F235-I251 HydrophobicContact CE1-CD1 4.16Å; F235-I251 HydrophobicContact CE1-CG2 4.04Å; F235-I251 HydrophobicContact CZ-CB 4.12Å; F235-I251 HydrophobicContact CZ-CG2 3.92Å; W240-I251 HydrophobicContact CH2-CD1 3.54Å; W240-I251 HydrophobicContact CZ3-CD1 3.91Å; A247-I251 WeakPolarHBondContact O-CG1 3.41Å; A247-I251 PolarHBondContact O-N 3.34Å; K248-I251 PolarHBondContact O-N 3.36Å; D249-I251 VanDerWaalsContact C-N 3.31Å; D249-I251 PolarHBondContact O-N 3.32Å; I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 PolarHBondContact O-N 2.79Å; I251-M254 PolarHBondContact O-N 3.31Å; I251-M255 HydrophobicContact CG2-CG 4.21Å; I251-M255 HydrophobicContact CG2-SD 3.75Å; I251-M255 WeakPolarHBondContact O-CB 3.17Å; I251-M255 PolarHBondContact O-N 2.96Å
252R98.6Very high96.9Very high88 Ų8845.2 Ų45.233%0.33223%0.233SC..Hα-helixtrans-57.1-39.9177.1-71.5168.7-163.6124.71.1112.6Y233 F235 E245 K248 D249 F250 Q256Y233-R252 WeakPolarHBondContact OH-CA 3.15Å; F235-R252 HydrophobicContact CE2-CG 4.04Å; F235-R252 HydrophobicContact CZ-CG 4.31Å; E245-R252 IonicContact OE1-NH2 2.69Å; E245-R252 IonicContact OE2-CZ 3.3Å; E245-R252 IonicContact OE2-NH1 2.65Å; E245-R252 PolarHBondContact OE2-NH1 3.4Å; E245-R252 IonicContact OE2-NH2 3.17Å; E245-R252 PolarHBondContact OE2-NH2 3.21Å; K248-R252 VanDerWaalsContact O-CG 3.27Å; K248-R252 WeakPolarHBondContact O-CG 3.2Å; K248-R252 PolarHBondContact O-N 3.04Å; D249-R252 WeakPolarHBondContact O-CB 3.49Å; D249-R252 PolarHBondContact O-N 2.96Å; D249-R252 VanDerWaalsContact O-N 3.14Å; F250-R252 PolarHBondContact O-N 3.33Å; R252-Q256 PolarHBondContact O-N 3.36Å
253N98.6Very high97.1Very high34 Ų3443.5 Ų43.518%0.18222%0.22CC..Hα-helixtrans-75.9-33.1179.7-75.2-80.8000112.9D249 F250 I251 Y263D249-N253 PolarHBondContact O-N 2.98Å; D249-N253 PolarHBondContact O-ND2 3.03Å; D249-N253 PolarHBondContact OD1-ND2 3.14Å; D249-N253 PolarHBondContact OD2-ND2 3.21Å; F250-N253 PolarHBondContact O-N 3.22Å; I251-N253 VanDerWaalsContact C-N 3.27Å; I251-N253 PolarHBondContact O-N 2.79Å; N253-Y263 HydrophobicContact CB-CD1 3.68Å; N253-Y263 HydrophobicContact CB-CD2 3.79Å; N253-Y263 HydrophobicContact CB-CE1 3.58Å; N253-Y263 HydrophobicContact CB-CE2 3.73Å; N253-Y263 HydrophobicContact CB-CG 3.77Å; N253-Y263 PolarHBondContact O-N 2.86Å; N253-Y263 VanDerWaalsContact O-N 3.09Å; N253-Y263 WeakPolarHBondContact OD1-CE1 3.47Å
254M98.4Very high97.1Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-78.5-37.2176-66.4-66.2-82.100112.8L125 C199 I202 F250 I251 Q256 R262 A268L125-M254 HydrophobicContact CD2-CE 3.75Å; C199-M254 HydrophobicContact CB-CE 4.18Å; C199-M254 WeakPolarHBondContact O-CE 3.34Å; I202-M254 HydrophobicContact CB-CE 3.75Å; I202-M254 HydrophobicContact CG2-CE 3.52Å; F250-M254 HydrophobicContact CD1-CG 4.24Å; F250-M254 HydrophobicContact CD2-CG 4.46Å; F250-M254 HydrophobicContact CE1-CG 3.81Å; F250-M254 HydrophobicContact CE2-CG 4.07Å; F250-M254 HydrophobicContact CE2-SD 4.44Å; F250-M254 HydrophobicContact CZ-CE 4.19Å; F250-M254 HydrophobicContact CZ-CG 3.71Å; F250-M254 HydrophobicContact CZ-SD 4.2Å; F250-M254 VanDerWaalsContact O-CG 3.3Å; F250-M254 WeakPolarHBondContact O-CG 3.41Å; F250-M254 PolarHBondContact O-N 3.02Å; I251-M254 PolarHBondContact O-N 3.31Å; M254-Q256 VanDerWaalsContact C-N 3.31Å; M254-Q256 PolarHBondContact O-N 3.28Å; M254-R262 WeakPolarHBondContact O-CD 3.32Å; M254-R262 WeakPolarHBondContact O-CG 3.37Å; M254-A268 HydrophobicContact CE-CB 4.19Å; M254-A268 HydrophobicContact SD-CB 3.68Å
255M97.6Very high97Very high2 Ų245.8 Ų45.81%0.0123%0.234CC..THydrogen-bonded Turntrans-95.729.9176-62.4-175.659.200112.4W200 V204 P215 F216 Y233 I251W200-M255 HydrophobicContact CE3-CB 4.26Å; W200-M255 HydrophobicContact CZ2-CE 4.28Å; W200-M255 HydrophobicContact CZ3-CB 4.19Å; W200-M255 WeakPolarHBondContact CZ3-O 3.44Å; V204-M255 HydrophobicContact CG2-CE 3.76Å; V204-M255 HydrophobicContact CG2-SD 4.02Å; P215-M255 HydrophobicContact CB-CE 3.95Å; P215-M255 HydrophobicContact CG-CE 3.71Å; P215-M255 HydrophobicContact CG-SD 4.2Å; F216-M255 HydrophobicContact CD2-CE 4.46Å; F216-M255 HydrophobicContact CE1-CE 4.49Å; F216-M255 HydrophobicContact CE2-CE 3.38Å; F216-M255 HydrophobicContact CZ-CE 3.4Å; Y233-M255 HydrophobicContact CD1-CE 3.69Å; Y233-M255 HydrophobicContact CE1-CB 3.8Å; Y233-M255 HydrophobicContact CE1-CE 3.86Å; Y233-M255 HydrophobicContact CG-CE 4.07Å; I251-M255 HydrophobicContact CG2-CG 4.21Å; I251-M255 HydrophobicContact CG2-SD 3.75Å; I251-M255 WeakPolarHBondContact O-CB 3.17Å; I251-M255 PolarHBondContact O-N 2.96Å
256Q96.9Very high97Very high75 Ų7543.9 Ų43.935%0.3523%0.225SC..  trans-68.7131.5173.7173.358-86.500110.3R252 M254 M261 R262R252-Q256 PolarHBondContact O-N 3.36Å; M254-Q256 VanDerWaalsContact C-N 3.31Å; M254-Q256 PolarHBondContact O-N 3.28Å; Q256-M261 HydrophobicContact CG-CB 3.78Å; Q256-R262 HydrophobicContact CB-CB 4.04Å; Q256-R262 HydrophobicContact CB-CG 4.25Å; Q256-R262 HydrophobicContact CG-CB 4.46Å; Q256-R262 PolarHBondContact O-NE 3.12Å; Q256-R262 PolarHBondContact O-NH2 3.26Å; Q256-R262 VanDerWaalsContact O-NH2 3.13Å
257K94.2Very high97Very high97 Ų9747.1 Ų47.142%0.42224%0.238SC..SBendtrans-62.7-44.2-176.4-175.4176.6-178.5166.90113.1M229 A231 P259M229-K257 WeakPolarHBondContact O-CE 3.4Å; M229-K257 PolarHBondContact O-NZ 3.09Å; A231-K257 HydrophobicContact CB-CB 3.77Å; A231-K257 HydrophobicContact CB-CD 4.5Å; A231-K257 HydrophobicContact CB-CG 4.26Å; K257-P259 WeakPolarHBondContact O-CD 3.46Å
258N93Very high97Very high77 Ų7747.1 Ų47.141%0.41224%0.238SC..SBendtrans-81.6116.4178.7179.57.9000109.9S260 M261 R262N258-S260 PolarHBondContact ND2-OG 3.15Å; N258-S260 PolarHBondContact O-N 2.77Å; N258-S260 VanDerWaalsContact O-N 3.12Å; N258-S260 PolarHBondContact OD1-N 3.47Å; N258-S260 VanDerWaalsContact OD1-N 3.16Å; N258-S260 PolarHBondContact OD1-OG 3.48Å; N258-M261 HydrophobicContact CB-CB 4.27Å; N258-M261 HydrophobicContact CB-CG 4.24Å; N258-M261 PolarHBondContact O-N 3.19Å; N258-R262 PolarHBondContact O-N 3.24Å; N258-R262 VanDerWaalsContact O-N 3.12Å
259P91.1Very high96.9Very high44 Ų4448.1 Ų48.129%0.28624%0.244SC..THydrogen-bonded Turntrans-61.7-22.3-178.1-22.835.1000114.3E186 A196 K257 M261E186-P259 HydrophobicContact CB-CG 4.2Å; E186-P259 VanDerWaalsContact CD-CG 3.41Å; E186-P259 HydrophobicContact CG-CG 4.05Å; E186-P259 WeakPolarHBondContact OE1-CG 3.49Å; A196-P259 HydrophobicContact CB-CB 3.96Å; K257-P259 WeakPolarHBondContact O-CD 3.46Å; P259-M261 VanDerWaalsContact C-N 3.31Å
260S91.9Very high96.9Very high96 Ų9654 Ų5467%0.67126%0.261SS*.THydrogen-bonded Turntrans-80.5-10.2175.981.70000114.1N258N258-S260 PolarHBondContact ND2-OG 3.15Å; N258-S260 PolarHBondContact O-N 2.77Å; N258-S260 VanDerWaalsContact O-N 3.12Å; N258-S260 PolarHBondContact OD1-N 3.47Å; N258-S260 VanDerWaalsContact OD1-N 3.16Å; N258-S260 PolarHBondContact OD1-OG 3.48Å
261M96.1Very high96.9Very high123 Ų12354.5 Ų54.561%0.60626%0.264SS*.THydrogen-bonded Turntrans-113-5.5176.9-62-60.9-59.400112Q256 N258 P259Q256-M261 HydrophobicContact CG-CB 3.78Å; N258-M261 HydrophobicContact CB-CB 4.27Å; N258-M261 HydrophobicContact CB-CG 4.24Å; N258-M261 PolarHBondContact O-N 3.19Å; P259-M261 VanDerWaalsContact C-N 3.31Å
262R97.6Very high96.9Very high7 Ų757.1 Ų57.13%0.02628%0.281CS..SBendtrans-75.9141.4176.3-167.1-176.8-60.7149.86.7109.2E186 A196 M254 Q256 N258 T264E186-R262 IonicContact OE1-CZ 3.7Å; E186-R262 IonicContact OE1-NH1 3.74Å; E186-R262 PolarHBondContact OE1-NH1 2.89Å; E186-R262 IonicContact OE1-NH2 3.95Å; E186-R262 PolarHBondContact OE1-NH2 2.85Å; E186-R262 IonicContact OE2-CZ 3.1Å; E186-R262 IonicContact OE2-NH1 2.97Å; E186-R262 PolarHBondContact OE2-NH1 2.68Å; E186-R262 IonicContact OE2-NH2 2.71Å; E186-R262 PolarHBondContact OE2-NH2 3.13Å; A196-R262 WeakPolarHBondContact O-CD 3.36Å; A196-R262 PolarHBondContact O-NH1 3.17Å; M254-R262 WeakPolarHBondContact O-CD 3.32Å; M254-R262 WeakPolarHBondContact O-CG 3.37Å; Q256-R262 HydrophobicContact CB-CB 4.04Å; Q256-R262 HydrophobicContact CB-CG 4.25Å; Q256-R262 HydrophobicContact CG-CB 4.46Å; Q256-R262 PolarHBondContact O-NE 3.12Å; Q256-R262 PolarHBondContact O-NH2 3.26Å; Q256-R262 VanDerWaalsContact O-NH2 3.13Å; N258-R262 PolarHBondContact O-N 3.24Å; N258-R262 VanDerWaalsContact O-N 3.12Å; R262-T264 PolarHBondContact O-N 3.46Å
263Y98.3Very high96.9Very high54 Ų5452.9 Ų52.921%0.21227%0.265CS..PPolyproline II helixtrans-59136.4177.6-86.615000111.8C199 N253 Q267 A268 H271C199-Y263 WeakPolarHBondContact CB-O 3.42Å; C199-Y263 PolarHBondContact SG-O 3.21Å; C199-Y263 VanDerWaalsContact SG-O 3.38Å; N253-Y263 HydrophobicContact CB-CD1 3.68Å; N253-Y263 HydrophobicContact CB-CD2 3.79Å; N253-Y263 HydrophobicContact CB-CE1 3.58Å; N253-Y263 HydrophobicContact CB-CE2 3.73Å; N253-Y263 HydrophobicContact CB-CG 3.77Å; N253-Y263 PolarHBondContact O-N 2.86Å; N253-Y263 VanDerWaalsContact O-N 3.09Å; N253-Y263 WeakPolarHBondContact OD1-CE1 3.47Å; Y263-Q267 HydrophobicContact CD1-CB 4.2Å; Y263-Q267 HydrophobicContact CD2-CB 4.17Å; Y263-Q267 HydrophobicContact CG-CB 3.92Å; Y263-A268 HydrophobicContact CD2-CB 4.24Å; Y263-H271 HydrophobicContact CE2-CB 4.4Å
264T97.4Very high96.9Very high58 Ų5851.5 Ų51.536%0.35626%0.257SS..PPolyproline II helixtrans-75.4164.1157.880.70000109.7R262 E266 Q267 A268R262-T264 PolarHBondContact O-N 3.46Å; T264-E266 WeakPolarHBondContact CB-OE2 3.42Å; T264-E266 PolarHBondContact O-N 2.99Å; T264-E266 PolarHBondContact OG1-N 3.38Å; T264-E266 PolarHBondContact OG1-OE2 3.18Å; T264-Q267 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact OG1-N 2.99Å; T264-A268 WeakPolarHBondContact O-CB 3.34Å; T264-A268 PolarHBondContact O-N 2.79Å
265T97.4Very high96.7Very high0 Ų055.1 Ų55.10%028%0.276CS..Hα-helixtrans-59.6-34.717646.80000112L125 V128 S129 Q267 A268 L269L125-T265 HydrophobicContact CD2-CG2 3.92Å; V128-T265 HydrophobicContact CB-CG2 4.13Å; V128-T265 HydrophobicContact CG1-CG2 3.84Å; S129-T265 WeakPolarHBondContact CA-OG1 3.25Å; S129-T265 VanDerWaalsContact CB-OG1 3.25Å; S129-T265 WeakPolarHBondContact CB-OG1 3.31Å; S129-T265 PolarHBondContact OG-OG1 2.69Å; T265-Q267 VanDerWaalsContact C-N 3.3Å; T265-Q267 PolarHBondContact O-N 3.5Å; T265-A268 PolarHBondContact O-N 2.94Å; T265-L269 WeakPolarHBondContact O-CB 3.24Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.28Å
266E97.2Very high96.1Very high62 Ų6257.3 Ų57.329%0.2930%0.299SS..Hα-helixtrans-70.3-22.9176.6-52.673.6-155.900113.6S129 T264 R270S129-E266 PolarHBondContact OG-OE1 3.24Å; T264-E266 WeakPolarHBondContact CB-OE2 3.42Å; T264-E266 PolarHBondContact O-N 2.99Å; T264-E266 PolarHBondContact OG1-N 3.38Å; T264-E266 PolarHBondContact OG1-OE2 3.18Å; E266-R270 VanDerWaalsContact O-CD 3.28Å; E266-R270 WeakPolarHBondContact O-CD 3.06Å; E266-R270 WeakPolarHBondContact O-CG 3.24Å; E266-R270 PolarHBondContact O-NE 3.12Å
267Q98.3Very high95.8Very high91 Ų9161.4 Ų61.443%0.42532%0.316SS..Hα-helixtrans-82-45.3171.2-66.7174.3-50.900110.5Y263 T264 T265 L269 R270 H271Y263-Q267 HydrophobicContact CD1-CB 4.2Å; Y263-Q267 HydrophobicContact CD2-CB 4.17Å; Y263-Q267 HydrophobicContact CG-CB 3.92Å; T264-Q267 PolarHBondContact O-N 3.37Å; T264-Q267 PolarHBondContact OG1-N 2.99Å; T265-Q267 VanDerWaalsContact C-N 3.3Å; T265-Q267 PolarHBondContact O-N 3.5Å; Q267-L269 PolarHBondContact O-N 3.35Å; Q267-R270 PolarHBondContact O-N 2.96Å; Q267-R270 VanDerWaalsContact O-N 3.07Å; Q267-H271 PolarHBondContact O-N 3.29Å
268A98.5Very high95.9Very high0 Ų059.3 Ų59.30%031%0.311CS..Hα-helixtrans-58.2-43.5177.500000112.7L125 F250 M254 Y263 T264 T265 R270 H271 I274L125-A268 HydrophobicContact CD1-CB 3.72Å; L125-A268 HydrophobicContact CD2-CB 3.56Å; L125-A268 HydrophobicContact CG-CB 4.3Å; F250-A268 HydrophobicContact CE2-CB 3.84Å; F250-A268 HydrophobicContact CZ-CB 4.3Å; M254-A268 HydrophobicContact CE-CB 4.19Å; M254-A268 HydrophobicContact SD-CB 3.68Å; Y263-A268 HydrophobicContact CD2-CB 4.24Å; T264-A268 WeakPolarHBondContact O-CB 3.34Å; T264-A268 PolarHBondContact O-N 2.79Å; T265-A268 PolarHBondContact O-N 2.94Å; A268-R270 PolarHBondContact O-N 3.16Å; A268-R270 VanDerWaalsContact O-N 3.08Å; A268-H271 VanDerWaalsContact O-CB 3.25Å; A268-H271 WeakPolarHBondContact O-CB 3.47Å; A268-H271 PolarHBondContact O-N 3.42Å; A268-I274 WeakPolarHBondContact O-CG1 3.3Å
269L98.3Very high96.1Very high39 Ų3956 Ų5620%0.20430%0.295CS..THydrogen-bonded Turntrans-63.4-11.6176.2-74168.6000114.6Q122 L125 E126 T265 Q267 I274 I275Q122-L269 HydrophobicContact CG-CD2 4.15Å; L125-L269 HydrophobicContact CB-CD1 4.36Å; L125-L269 HydrophobicContact CB-CD2 3.54Å; L125-L269 HydrophobicContact CB-CG 3.79Å; L125-L269 HydrophobicContact CD1-CD2 4.06Å; L125-L269 HydrophobicContact CD1-CG 4.27Å; L125-L269 HydrophobicContact CG-CD2 4.47Å; E126-L269 HydrophobicContact CG-CD1 4.22Å; E126-L269 HydrophobicContact CG-CD2 3.84Å; T265-L269 WeakPolarHBondContact O-CB 3.24Å; T265-L269 VanDerWaalsContact O-CG 3.25Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.28Å; Q267-L269 PolarHBondContact O-N 3.35Å; L269-I274 HydrophobicContact CD2-CG2 4.32Å; L269-I275 WeakPolarHBondContact O-CG2 3.34Å
270R98.3Very high96.4Very high187 Ų18758.8 Ų58.871%0.70630%0.299SS*.THydrogen-bonded Turntrans-103.1-4.9176.9-62.2172.2-172.7161.86.3112.8E266 Q267 A268E266-R270 VanDerWaalsContact O-CD 3.28Å; E266-R270 WeakPolarHBondContact O-CD 3.06Å; E266-R270 WeakPolarHBondContact O-CG 3.24Å; E266-R270 PolarHBondContact O-NE 3.12Å; Q267-R270 PolarHBondContact O-N 2.96Å; Q267-R270 VanDerWaalsContact O-N 3.07Å; A268-R270 PolarHBondContact O-N 3.16Å; A268-R270 VanDerWaalsContact O-N 3.08Å
271H98.7Very high96.6Very high10 Ų1058.2 Ų58.25%0.04630%0.296CS..SBendtrans-68.8137.1-176.7-173.6-92.2000111.1S246 D249 F250 Y263 Q267 A268 W273 I274 I275S246-H271 PolarHBondContact O-CE1 2.85Å; S246-H271 VanDerWaalsContact O-CE1 3.22Å; D249-H271 IonicContact OD2-NE2 2.66Å; D249-H271 PolarHBondContact OD2-NE2 3.09Å; F250-H271 HydrophobicContact CD2-CB 3.88Å; F250-H271 AromaticContact CD2-CG 3.76Å; F250-H271 AromaticContact CD2-ND1 3.73Å; F250-H271 HydrophobicContact CE2-CB 4.39Å; Y263-H271 HydrophobicContact CE2-CB 4.4Å; Q267-H271 PolarHBondContact O-N 3.29Å; A268-H271 VanDerWaalsContact O-CB 3.25Å; A268-H271 WeakPolarHBondContact O-CB 3.47Å; A268-H271 PolarHBondContact O-N 3.42Å; H271-W273 VanDerWaalsContact ND1-CB 3.34Å; H271-W273 WeakPolarHBondContact ND1-CB 3.28Å; H271-W273 PolarHBondContact ND1-N 3.37Å; H271-W273 PolarHBondContact O-N 2.97Å; H271-I274 PolarHBondContact O-N 3.26Å; H271-I275 PolarHBondContact O-N 3.27Å; H271-I275 VanDerWaalsContact O-N 3.1Å
272P98.3Very high96.5Very high55 Ų5556.3 Ų56.336%0.35729%0.285SS..THydrogen-bonded Turntrans-51.9-31.2-175.7-3137000115.8K277 T278P272-K277 HydrophobicContact CB-CB 4.5Å; P272-K277 WeakPolarHBondContact O-CB 3.34Å; P272-K277 PolarHBondContact O-N 2.85Å; P272-T278 HydrophobicContact CB-CG2 3.84Å; P272-T278 PolarHBondContact O-N 2.85Å; P272-T278 PolarHBondContact O-OG1 3.02Å
273W98.6Very high96.5Very high0 Ų059.8 Ų59.80%030%0.304CS..THydrogen-bonded Turntrans-64.9-52.6176.5-168.970.7000111.1E114 A117 S118 I121 T206 L210 A247 F250 H271 G276 T278 A279E114-W273 HydrophobicContact CB-CZ2 4.5Å; E114-W273 WeakPolarHBondContact O-CZ2 3.16Å; E114-W273 PolarHBondContact OE2-NE1 3.46Å; A117-W273 HydrophobicContact CB-CH2 4.04Å; A117-W273 HydrophobicContact CB-CZ2 4.15Å; S118-W273 PolarHBondContact OG-O 2.77Å; S118-W273 VanDerWaalsContact OG-O 3.05Å; I121-W273 HydrophobicContact CB-CZ3 4.42Å; T206-W273 HydrophobicContact CG2-CH2 3.73Å; T206-W273 HydrophobicContact CG2-CZ3 3.66Å; L210-W273 HydrophobicContact CD1-CH2 4.29Å; L210-W273 HydrophobicContact CD1-CZ2 3.96Å; L210-W273 HydrophobicContact CD2-CZ2 4.13Å; A247-W273 HydrophobicContact CB-CD2 4.29Å; A247-W273 HydrophobicContact CB-CG 4.38Å; A247-W273 HydrophobicContact CB-CZ2 4.26Å; F250-W273 HydrophobicContact CB-CE3 4.3Å; F250-W273 AromaticContact CD1-CE3 3.83Å; F250-W273 HydrophobicContact CD1-CE3 3.83Å; F250-W273 AromaticContact CD1-CZ3 3.97Å; F250-W273 HydrophobicContact CD1-CZ3 3.97Å; F250-W273 HydrophobicContact CD2-CE3 4.48Å; F250-W273 HydrophobicContact CE1-CE3 4.3Å; F250-W273 HydrophobicContact CE1-CZ3 4.16Å; F250-W273 AromaticContact CG-CE3 3.94Å; F250-W273 HydrophobicContact CG-CE3 3.94Å; H271-W273 VanDerWaalsContact ND1-CB 3.34Å; H271-W273 WeakPolarHBondContact ND1-CB 3.28Å; H271-W273 PolarHBondContact ND1-N 3.37Å; H271-W273 PolarHBondContact O-N 2.97Å; W273-G276 PolarHBondContact O-N 3.16Å; W273-T278 WeakPolarHBondContact CA-OG1 3.46Å; W273-T278 PolarHBondContact N-OG1 3.23Å; W273-A279 HydrophobicContact CG-CB 4.29Å
274I98.4Very high96.3Very high4 Ų458 Ų582%0.02130%0.298CS..THydrogen-bonded Turntrans-63.8-44.9-179.7-61-61.3000111.9S118 I121 Q122 L125 F250 A268 L269 H271 G276S118-I274 WeakPolarHBondContact OG-CA 3.29Å; I121-I274 HydrophobicContact CB-CD1 4.16Å; I121-I274 HydrophobicContact CG2-CD1 3.66Å; Q122-I274 HydrophobicContact CB-CG2 4Å; Q122-I274 HydrophobicContact CG-CG2 3.99Å; L125-I274 HydrophobicContact CD1-CD1 4.02Å; L125-I274 HydrophobicContact CD1-CG1 4.03Å; L125-I274 HydrophobicContact CD1-CG2 4.31Å; F250-I274 HydrophobicContact CD2-CD1 4.43Å; F250-I274 HydrophobicContact CD2-CG1 3.93Å; F250-I274 HydrophobicContact CE1-CD1 4.35Å; F250-I274 HydrophobicContact CE2-CD1 3.86Å; F250-I274 HydrophobicContact CE2-CG1 3.46Å; F250-I274 VanDerWaalsContact CE2-CG1 3.46Å; F250-I274 HydrophobicContact CZ-CD1 3.83Å; F250-I274 HydrophobicContact CZ-CG1 3.96Å; A268-I274 WeakPolarHBondContact O-CG1 3.3Å; L269-I274 HydrophobicContact CD2-CG2 4.32Å; H271-I274 PolarHBondContact O-N 3.26Å; I274-G276 PolarHBondContact O-N 3.45Å
275I95.1Very high96.2Very high76 Ų7657.3 Ų57.339%0.3929%0.289SS..THydrogen-bonded Turntrans-76.823179.167.2174.6000113.8L269 H271 K277L269-I275 WeakPolarHBondContact O-CG2 3.34Å; H271-I275 PolarHBondContact O-N 3.27Å; H271-I275 VanDerWaalsContact O-N 3.1Å; I275-K277 VanDerWaalsContact C-N 3.27Å; I275-K277 HydrophobicContact CD1-CD 3.81Å; I275-K277 HydrophobicContact CD1-CG 4.43Å; I275-K277 HydrophobicContact CG1-CD 4.06Å; I275-K277 HydrophobicContact CG1-CG 4.15Å; I275-K277 PolarHBondContact O-N 3.32Å
276G84.9Confident96Very high49 Ų4966.5 Ų66.551%0.50533%0.325SS..THydrogen-bonded Turntrans69.810.4170.200000116.3W273 I274W273-G276 PolarHBondContact O-N 3.16Å; I274-G276 PolarHBondContact O-N 3.45Å
277K90.3Very high95.7Very high160 Ų16065.5 Ų65.570%0.69633%0.325SS*.SBendtrans-86.9-29.4-174.8-69.5179.9-176.5174.60114P272 I275P272-K277 HydrophobicContact CB-CB 4.5Å; P272-K277 WeakPolarHBondContact O-CB 3.34Å; P272-K277 PolarHBondContact O-N 2.85Å; I275-K277 VanDerWaalsContact C-N 3.27Å; I275-K277 HydrophobicContact CD1-CD 3.81Å; I275-K277 HydrophobicContact CD1-CG 4.43Å; I275-K277 HydrophobicContact CG1-CD 4.06Å; I275-K277 HydrophobicContact CG1-CG 4.15Å; I275-K277 PolarHBondContact O-N 3.32Å
278T97Very high95.5Very high54 Ų5461.2 Ų61.233%0.33131%0.305SS..SBendtrans-127.9-12.7-172.853.50000115.1S246 P272 W273 R280S246-T278 VanDerWaalsContact CB-OG1 3.24Å; S246-T278 WeakPolarHBondContact CB-OG1 3.43Å; S246-T278 WeakPolarHBondContact OG-CB 3.4Å; S246-T278 PolarHBondContact OG-OG1 3.43Å; P272-T278 HydrophobicContact CB-CG2 3.84Å; P272-T278 PolarHBondContact O-N 2.85Å; P272-T278 PolarHBondContact O-OG1 3.02Å; W273-T278 WeakPolarHBondContact CA-OG1 3.46Å; W273-T278 PolarHBondContact N-OG1 3.23Å; T278-R280 PolarHBondContact O-N 3.36Å
279A97Very high95.1Very high7 Ų761.6 Ų61.66%0.05831%0.308CS..  trans-62.5128.7174.500000111.2E114 K115 W273E114-A279 HydrophobicContact CB-CB 4.27Å; K115-A279 WeakPolarHBondContact CE-O 3.23Å; K115-A279 HydrophobicContact CG-CB 3.78Å; K115-A279 WeakPolarHBondContact CG-O 3.48Å; W273-A279 HydrophobicContact CG-CB 4.29Å
280R96.8Very high94.8Very high102 Ų10261.4 Ų61.439%0.38531%0.312SS..  trans-74.7147.7-176.3-66.6-179.8172.8167-3.5112.9E114 K115 D242 T278 Q282E114-R280 HydrophobicContact CB-CB 4.23Å; E114-R280 WeakPolarHBondContact CB-O 3.43Å; E114-R280 HydrophobicContact CG-CB 4.39Å; E114-R280 PolarHBondContact N-O 3.31Å; E114-R280 WeakPolarHBondContact OE1-CD 3.25Å; E114-R280 WeakPolarHBondContact OE1-CG 3.38Å; E114-R280 PolarHBondContact OE2-N 2.87Å; K115-R280 PolarHBondContact N-O 3.04Å; D242-R280 VanDerWaalsContact C-NH1 3.29Å; D242-R280 PolarHBondContact O-NH1 3.45Å; T278-R280 PolarHBondContact O-N 3.36Å; R280-Q282 HydrophobicContact CB-CB 4.37Å
281S96Very high94.4Very high85 Ų8553.7 Ų53.759%0.59428%0.284SS*.  trans-94.310.6168-80.90000113K115K115-S281 WeakPolarHBondContact CD-OG 3.32Å; K115-S281 VanDerWaalsContact CE-OG 3.27Å; K115-S281 WeakPolarHBondContact CE-OG 3.21Å; K115-S281 PolarHBondContact NZ-OG 3.46Å
282Q94.9Very high93.9Very high82 Ų8253.3 Ų53.338%0.38328%0.282SS..SBendtrans-69.6135.1174.1-177.5171-14.200109S113 D242 R280 I284S113-Q282 VanDerWaalsContact CB-O 3.3Å; S113-Q282 WeakPolarHBondContact CB-O 3.1Å; D242-Q282 PolarHBondContact OD1-NE2 2.76Å; R280-Q282 HydrophobicContact CB-CB 4.37Å; Q282-I284 PolarHBondContact O-N 2.94Å
283D95.9Very high93.3Very high80 Ų8055.8 Ų55.843%0.42829%0.289SS..BIsolated β-bridgetrans-71.3127.6173.6-178.738.7000109.8V111 Y112 Y285V111-D283 HydrophobicContact CG1-CB 4.38Å; Y112-D283 PolarHBondContact N-OD1 2.83Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.32Å; D283-Y285 PolarHBondContact OD1-N 3.42Å
284I95.6Very high92.6Very high16 Ų1661.4 Ų61.48%0.08231%0.313CS..  trans-118.83.7176.260.3173.1000111.2Y112 L210 I243 Q282 Y286 S287 V288Y112-I284 HydrophobicContact CD1-CD1 4.33Å; Y112-I284 HydrophobicContact CD1-CG1 4.02Å; Y112-I284 HydrophobicContact CE1-CD1 4.31Å; Y112-I284 HydrophobicContact CE1-CG1 4.5Å; Y112-I284 VanDerWaalsContact O-CG1 3.29Å; Y112-I284 WeakPolarHBondContact O-CG1 3.17Å; Y112-I284 PolarHBondContact O-N 2.93Å; L210-I284 HydrophobicContact CD2-CD1 4.07Å; I243-I284 HydrophobicContact CD1-CD1 3.71Å; I243-I284 HydrophobicContact CD1-CG2 4.01Å; Q282-I284 PolarHBondContact O-N 2.94Å; I284-Y286 PolarHBondContact O-N 2.85Å; I284-S287 PolarHBondContact O-N 3.48Å; I284-S287 VanDerWaalsContact O-N 3.17Å; I284-V288 HydrophobicContact CB-CG2 4.28Å; I284-V288 HydrophobicContact CD1-CG2 3.9Å; I284-V288 HydrophobicContact CG1-CG2 3.97Å; I284-V288 WeakPolarHBondContact O-CG2 3.27Å; I284-V288 PolarHBondContact O-N 3.22Å; I284-V288 VanDerWaalsContact O-N 3.13Å
285Y94.7Very high91.6Very high44 Ų4462.5 Ų62.517%0.17332%0.319CS..Hα-helixtrans-49.6-50.3-172.5173.9-104000113.4I106 L107 G110 Y112 D283 S287 V288 S289I106-Y285 WeakPolarHBondContact O-CE2 3.12Å; L107-Y285 PolarHBondContact O-OH 3.38Å; G110-Y285 WeakPolarHBondContact O-CD1 3.31Å; Y112-Y285 PolarHBondContact O-N 2.84Å; D283-Y285 WeakPolarHBondContact OD1-CB 3.32Å; D283-Y285 PolarHBondContact OD1-N 3.42Å; Y285-S287 VanDerWaalsContact C-N 3.33Å; Y285-S287 PolarHBondContact O-N 3.26Å; Y285-V288 PolarHBondContact O-N 2.8Å; Y285-S289 WeakPolarHBondContact O-CB 3.45Å; Y285-S289 PolarHBondContact O-N 3.14Å; Y285-S289 PolarHBondContact O-OG 3.42Å
286Y92.7Very high90.4Very high194 Ų19460.2 Ų60.276%0.76131%0.306SS*.Hα-helixtrans-59.8-40-176178.7-97.5000113.4I284 A290I284-Y286 PolarHBondContact O-N 2.85Å; Y286-A290 VanDerWaalsContact O-CB 3.25Å; Y286-A290 WeakPolarHBondContact O-CB 3.43Å; Y286-A290 PolarHBondContact O-N 2.94Å
287S92.4Very high89.1Confident41 Ų4160.4 Ų60.429%0.28730%0.303SS..Hα-helixtrans-70.2-48.8178.5-1730000110.8I284 Y285 Q291I284-S287 PolarHBondContact O-N 3.48Å; I284-S287 VanDerWaalsContact O-N 3.17Å; Y285-S287 VanDerWaalsContact C-N 3.33Å; Y285-S287 PolarHBondContact O-N 3.26Å; S287-Q291 PolarHBondContact O-N 2.76Å
288V92.6Very high87.2Confident0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-66.2-48.7-177.1173.50000111.5Y112 L210 I284 Y285 A290 Q291 I292Y112-V288 HydrophobicContact CD1-CG1 4.43Å; Y112-V288 HydrophobicContact CE1-CG1 4.29Å; L210-V288 WeakPolarHBondContact O-CG2 3.33Å; I284-V288 HydrophobicContact CB-CG2 4.28Å; I284-V288 HydrophobicContact CD1-CG2 3.9Å; I284-V288 HydrophobicContact CG1-CG2 3.97Å; I284-V288 WeakPolarHBondContact O-CG2 3.27Å; I284-V288 PolarHBondContact O-N 3.22Å; I284-V288 VanDerWaalsContact O-N 3.13Å; Y285-V288 PolarHBondContact O-N 2.8Å; V288-A290 PolarHBondContact O-N 3.31Å; V288-Q291 PolarHBondContact O-N 2.97Å; V288-I292 HydrophobicContact CG1-CD1 3.58Å; V288-I292 HydrophobicContact CG1-CG1 4.24Å; V288-I292 VanDerWaalsContact O-CG1 3.3Å; V288-I292 WeakPolarHBondContact O-CG1 3.27Å; V288-I292 PolarHBondContact O-N 3.35Å
289S91.4Very high85.2Confident9 Ų956.3 Ų56.36%0.06329%0.288CS..Hα-helixtrans-63.8-40.3-178.273.50000112.1Y285 Q291 I292 Q293Y285-S289 WeakPolarHBondContact O-CB 3.45Å; Y285-S289 PolarHBondContact O-N 3.14Å; Y285-S289 PolarHBondContact O-OG 3.42Å; S289-Q291 PolarHBondContact O-N 3.12Å; S289-I292 PolarHBondContact O-N 3.02Å; S289-Q293 WeakPolarHBondContact O-CB 3.17Å; S289-Q293 VanDerWaalsContact O-CG 3.31Å; S289-Q293 WeakPolarHBondContact O-CG 3.3Å; S289-Q293 PolarHBondContact O-N 2.86Å
290A91.3Very high83.1Confident34 Ų3460 Ų6028%0.28130%0.303SS..Hα-helixtrans-63.3-39.4176.300000112.6Y286 V288 K294Y286-A290 VanDerWaalsContact O-CB 3.25Å; Y286-A290 WeakPolarHBondContact O-CB 3.43Å; Y286-A290 PolarHBondContact O-N 2.94Å; V288-A290 PolarHBondContact O-N 3.31Å; A290-K294 VanDerWaalsContact O-CB 3.24Å; A290-K294 WeakPolarHBondContact O-CB 3.43Å; A290-K294 PolarHBondContact O-N 3.45Å; A290-K294 VanDerWaalsContact O-N 3.16Å
291Q90.8Very high80Confident26 Ų2665 Ų6512%0.12132%0.322CS..Hα-helixtrans-73.5-41.2173.6-63.8-36.4-65.200112.1C211 G212 Y213 F239 S287 V288 S289 Q293 K294 N295C211-Q291 VanDerWaalsContact O-CB 3.24Å; C211-Q291 WeakPolarHBondContact O-CB 3.44Å; C211-Q291 WeakPolarHBondContact O-CG 3.5Å; G212-Q291 CarbonylContact O-C 3.53Å; G212-Q291 VanDerWaalsContact O-C 3.26Å; G212-Q291 WeakPolarHBondContact O-CB 3.44Å; Y213-Q291 HydrophobicContact CD1-CG 4.34Å; F239-Q291 HydrophobicContact CD1-CG 4.04Å; F239-Q291 HydrophobicContact CE1-CG 3.93Å; S287-Q291 PolarHBondContact O-N 2.76Å; V288-Q291 PolarHBondContact O-N 2.97Å; S289-Q291 PolarHBondContact O-N 3.12Å; Q291-Q293 PolarHBondContact O-N 3.43Å; Q291-K294 PolarHBondContact O-N 3.44Å; Q291-N295 VanDerWaalsContact O-CB 3.28Å; Q291-N295 WeakPolarHBondContact O-CB 3.32Å; Q291-N295 PolarHBondContact O-N 3.25Å; Q291-N295 PolarHBondContact O-ND2 3.28Å
292I86.7Confident77.3Confident1 Ų165.8 Ų65.81%0.00532%0.315CS..Hα-helixtrans-55.5-54.2174.6-69.5167.4000109.5F103 I106 L107 G212 V288 S289 K294 N295 F296F103-I292 HydrophobicContact CB-CG2 4.24Å; F103-I292 HydrophobicContact CD1-CD1 3.58Å; F103-I292 HydrophobicContact CD1-CG1 4.11Å; F103-I292 HydrophobicContact CE1-CD1 4.11Å; F103-I292 HydrophobicContact CE1-CG1 4.48Å; F103-I292 HydrophobicContact CG-CD1 4.47Å; I106-I292 HydrophobicContact CG2-CD1 4.06Å; L107-I292 HydrophobicContact CD1-CG2 4.01Å; L107-I292 HydrophobicContact CD2-CB 4.11Å; L107-I292 HydrophobicContact CD2-CG2 3.94Å; L107-I292 HydrophobicContact CG-CG2 4.1Å; G212-I292 PolarHBondContact O-N 3.04Å; V288-I292 HydrophobicContact CG1-CD1 3.58Å; V288-I292 HydrophobicContact CG1-CG1 4.24Å; V288-I292 VanDerWaalsContact O-CG1 3.3Å; V288-I292 WeakPolarHBondContact O-CG1 3.27Å; V288-I292 PolarHBondContact O-N 3.35Å; S289-I292 PolarHBondContact O-N 3.02Å; I292-K294 PolarHBondContact O-N 2.94Å; I292-N295 PolarHBondContact O-N 2.92Å; I292-F296 HydrophobicContact CB-CD2 4.42Å; I292-F296 HydrophobicContact CG2-CB 4.5Å; I292-F296 HydrophobicContact CG2-CD2 3.83Å; I292-F296 HydrophobicContact CG2-CE2 4.45Å; I292-F296 HydrophobicContact CG2-CG 4.3Å; I292-F296 VanDerWaalsContact O-CB 3.28Å; I292-F296 WeakPolarHBondContact O-CB 3.37Å; I292-F296 WeakPolarHBondContact O-CD2 3.47Å; I292-F296 PolarHBondContact O-N 2.69Å
293Q85.8Confident75.1Confident107 Ų10766.9 Ų66.950%0.532%0.32SS..Hα-helixtrans-56.9-47.7180-72.2175.64.300111.7L107 S289 Q291 N295 A297L107-Q293 HydrophobicContact CD1-CG 3.97Å; L107-Q293 HydrophobicContact CD2-CG 3.9Å; S289-Q293 WeakPolarHBondContact O-CB 3.17Å; S289-Q293 VanDerWaalsContact O-CG 3.31Å; S289-Q293 WeakPolarHBondContact O-CG 3.3Å; S289-Q293 PolarHBondContact O-N 2.86Å; Q291-Q293 PolarHBondContact O-N 3.43Å; Q293-N295 PolarHBondContact O-N 2.84Å; Q293-A297 WeakPolarHBondContact O-CB 3.41Å; Q293-A297 PolarHBondContact O-N 3.29Å
294K85.3Confident72.1Confident119 Ų11965.7 Ų65.752%0.51732%0.321SS..Hα-helixtrans-60.7-41.4178.7179.4-175.5171.1-166.50113.1A290 Q291 I292 Q298A290-K294 VanDerWaalsContact O-CB 3.24Å; A290-K294 WeakPolarHBondContact O-CB 3.43Å; A290-K294 PolarHBondContact O-N 3.45Å; A290-K294 VanDerWaalsContact O-N 3.16Å; Q291-K294 PolarHBondContact O-N 3.44Å; I292-K294 PolarHBondContact O-N 2.94Å; K294-Q298 WeakPolarHBondContact O-CG 3.43Å; K294-Q298 PolarHBondContact O-NE2 3.36Å
295N76.6Confident69.1Low27 Ų2771.3 Ų71.314%0.14435%0.345CS..Hα-helixtrans-90-40.1-172.3-62.5-38.4000112.4G212 Y213 Q291 I292 Q293 Q298 S299G212-N295 PolarHBondContact O-ND2 3.33Å; Y213-N295 VanDerWaalsContact CB-ND2 3.25Å; Y213-N295 WeakPolarHBondContact CB-ND2 3.17Å; Q291-N295 VanDerWaalsContact O-CB 3.28Å; Q291-N295 WeakPolarHBondContact O-CB 3.32Å; Q291-N295 PolarHBondContact O-N 3.25Å; Q291-N295 PolarHBondContact O-ND2 3.28Å; I292-N295 PolarHBondContact O-N 2.92Å; Q293-N295 PolarHBondContact O-N 2.84Å; N295-Q298 WeakPolarHBondContact O-CB 3.44Å; N295-Q298 PolarHBondContact O-N 3.48Å; N295-S299 PolarHBondContact O-N 2.9Å; N295-S299 PolarHBondContact O-OG 3.3Å
296F69.1Low66.2Low27 Ų2774.1 Ų74.112%0.11836%0.363CS..Hα-helixtrans-74-28.2176.1-78.5-100.5000112.6F103 I208 I292 Q298 S299 K300F103-F296 AromaticContact CD2-CE1 3.78Å; F103-F296 HydrophobicContact CD2-CE1 3.78Å; F103-F296 AromaticContact CD2-CE2 3.87Å; F103-F296 HydrophobicContact CD2-CE2 3.87Å; F103-F296 AromaticContact CD2-CZ 3.27Å; F103-F296 HydrophobicContact CD2-CZ 3.27Å; F103-F296 HydrophobicContact CE2-CE1 4.37Å; F103-F296 HydrophobicContact CE2-CE2 4.07Å; F103-F296 AromaticContact CE2-CZ 3.51Å; F103-F296 HydrophobicContact CE2-CZ 3.51Å; F103-F296 HydrophobicContact CG-CE2 4.34Å; F103-F296 HydrophobicContact CG-CZ 4.11Å; I208-F296 HydrophobicContact CG2-CE2 4.34Å; I292-F296 HydrophobicContact CB-CD2 4.42Å; I292-F296 HydrophobicContact CG2-CB 4.5Å; I292-F296 HydrophobicContact CG2-CD2 3.83Å; I292-F296 HydrophobicContact CG2-CE2 4.45Å; I292-F296 HydrophobicContact CG2-CG 4.3Å; I292-F296 VanDerWaalsContact O-CB 3.28Å; I292-F296 WeakPolarHBondContact O-CB 3.37Å; I292-F296 WeakPolarHBondContact O-CD2 3.47Å; I292-F296 PolarHBondContact O-N 2.69Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.48Å; F296-S299 PolarHBondContact O-N 2.93Å; F296-K300 WeakPolarHBondContact O-CB 3.4Å; F296-K300 PolarHBondContact O-N 2.85Å
297A57.5Low63.3Low53 Ų5367.2 Ų67.244%0.43835%0.346SS..Hα-helixtrans-59.6-43.8165.900000111Q293 W301Q293-A297 WeakPolarHBondContact O-CB 3.41Å; Q293-A297 PolarHBondContact O-N 3.29Å; A297-W301 VanDerWaalsContact O-CB 3.3Å; A297-W301 WeakPolarHBondContact O-CB 3.48Å; A297-W301 VanDerWaalsContact O-CD1 3.28Å; A297-W301 PolarHBondContact O-N 3.28Å
298Q52.1Low60.3Low78 Ų7868.9 Ų68.936%0.36436%0.355SS..Hα-helixtrans-66.1-36.4174.8-67.6178.834.500112.7K294 N295 F296 K302K294-Q298 WeakPolarHBondContact O-CG 3.43Å; K294-Q298 PolarHBondContact O-NE2 3.36Å; N295-Q298 WeakPolarHBondContact O-CB 3.44Å; N295-Q298 PolarHBondContact O-N 3.48Å; F296-Q298 VanDerWaalsContact C-N 3.31Å; F296-Q298 PolarHBondContact O-N 3.48Å; Q298-K302 WeakPolarHBondContact O-CB 3.07Å; Q298-K302 WeakPolarHBondContact O-CG 3.46Å; Q298-K302 PolarHBondContact O-N 2.86Å
299S54.8Low57.8Low50 Ų5072.6 Ų72.635%0.3538%0.377SS..Hα-helixtrans-69.1-49.9176.2-63.60000112.4N295 F296 W301 K302 Q303N295-S299 PolarHBondContact O-N 2.9Å; N295-S299 PolarHBondContact O-OG 3.3Å; F296-S299 PolarHBondContact O-N 2.93Å; S299-W301 VanDerWaalsContact C-N 3.27Å; S299-W301 PolarHBondContact O-N 2.81Å; S299-K302 PolarHBondContact O-N 3.04Å; S299-K302 VanDerWaalsContact O-N 3.14Å; S299-Q303 WeakPolarHBondContact O-CB 3.34Å; S299-Q303 WeakPolarHBondContact O-CG 3.27Å; S299-Q303 PolarHBondContact O-N 2.84Å
300K51.2Low55.2Low86 Ų8674.4 Ų74.437%0.37439%0.393SS..Hα-helixtrans-61.1-35.2176-70.3178.5174.1175.90110.2D104 F296 A304D104-K300 IonicContact OD1-NZ 2.86Å; D104-K300 PolarHBondContact OD1-NZ 2.85Å; D104-K300 VanDerWaalsContact OD1-NZ 3.09Å; D104-K300 IonicContact OD2-NZ 2.61Å; D104-K300 PolarHBondContact OD2-NZ 3.42Å; F296-K300 WeakPolarHBondContact O-CB 3.4Å; F296-K300 PolarHBondContact O-N 2.85Å; K300-A304 WeakPolarHBondContact O-CB 3.26Å; K300-A304 PolarHBondContact O-N 3.42Å
301W31.6Very low52.9Low205 Ų20577 Ų7778%0.77740%0.401SS*.Hα-helixtrans-65.8-48.1168.5-94.877.3000114.1A297 S299 Q303 A304 F305A297-W301 VanDerWaalsContact O-CB 3.3Å; A297-W301 WeakPolarHBondContact O-CB 3.48Å; A297-W301 VanDerWaalsContact O-CD1 3.28Å; A297-W301 PolarHBondContact O-N 3.28Å; S299-W301 VanDerWaalsContact C-N 3.27Å; S299-W301 PolarHBondContact O-N 2.81Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.18Å; W301-A304 PolarHBondContact O-N 3.5Å; W301-F305 WeakPolarHBondContact O-CB 2.94Å; W301-F305 PolarHBondContact O-N 3.42Å
302K39.9Very low50.4Low103 Ų10380 Ų8045%0.44842%0.418SS..Hα-helixtrans-62.2-39.9178.8-77.3167.3-178171.90111.2Y217 Q298 S299 N306Y217-K302 PolarHBondContact OH-NZ 3.31Å; Y217-K302 VanDerWaalsContact OH-NZ 3.14Å; Q298-K302 WeakPolarHBondContact O-CB 3.07Å; Q298-K302 WeakPolarHBondContact O-CG 3.46Å; Q298-K302 PolarHBondContact O-N 2.86Å; S299-K302 PolarHBondContact O-N 3.04Å; S299-K302 VanDerWaalsContact O-N 3.14Å; K302-N306 VanDerWaalsContact O-CB 3.27Å; K302-N306 WeakPolarHBondContact O-CB 3.39Å; K302-N306 PolarHBondContact O-N 3.35Å; K302-N306 PolarHBondContact O-OD1 3.15Å
303Q48.2Very low48.1Very low104 Ų10484 Ų8449%0.48644%0.437SS..Hα-helixtrans-61.9-51.1173-73.2169.8-14.700111.3S299 W301 F305 N306 A307S299-Q303 WeakPolarHBondContact O-CB 3.34Å; S299-Q303 WeakPolarHBondContact O-CG 3.27Å; S299-Q303 PolarHBondContact O-N 2.84Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.18Å; Q303-F305 PolarHBondContact O-N 2.93Å; Q303-N306 PolarHBondContact O-N 2.89Å; Q303-A307 VanDerWaalsContact O-CB 3.32Å; Q303-A307 WeakPolarHBondContact O-CB 3.36Å; Q303-A307 PolarHBondContact O-N 2.9Å
304A34.4Very low46.2Very low55 Ų5584.7 Ų84.746%0.45544%0.441SS..Hα-helixtrans-62.3-38.8178.700000113.2K300 W301 T308K300-A304 WeakPolarHBondContact O-CB 3.26Å; K300-A304 PolarHBondContact O-N 3.42Å; W301-A304 PolarHBondContact O-N 3.5Å; A304-T308 WeakPolarHBondContact O-CB 3.4Å; A304-T308 PolarHBondContact O-N 3.19Å; A304-T308 PolarHBondContact O-OG1 3.1Å
305F32.4Very low44.2Very low135 Ų13584.3 Ų84.359%0.59244%0.439SS*.Hα-helixtrans-65.2-49.7174.7-177.1-96.7000111.5W301 Q303 A307 T308 V309W301-F305 WeakPolarHBondContact O-CB 2.94Å; W301-F305 PolarHBondContact O-N 3.42Å; Q303-F305 PolarHBondContact O-N 2.93Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.26Å; F305-T308 WeakPolarHBondContact O-CB 3.34Å; F305-T308 PolarHBondContact O-N 3.35Å; F305-T308 VanDerWaalsContact O-N 3.12Å; F305-V309 HydrophobicContact CD1-CG2 4.21Å; F305-V309 HydrophobicContact CE1-CG2 3.85Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.18Å; F305-V309 PolarHBondContact O-N 2.9Å
306N33.5Very low43Very low103 Ų10390.2 Ų90.255%0.55146%0.464SS*.Hα-helixtrans-62.9-39.5178.7-71.4-5.1000111.8K302 Q303 V309 A310K302-N306 VanDerWaalsContact O-CB 3.27Å; K302-N306 WeakPolarHBondContact O-CB 3.39Å; K302-N306 PolarHBondContact O-N 3.35Å; K302-N306 PolarHBondContact O-OD1 3.15Å; Q303-N306 PolarHBondContact O-N 2.89Å; N306-V309 PolarHBondContact O-N 2.89Å; N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 3.46Å
307A30.7Very low41.9Very low48 Ų4893 Ų9340%0.39748%0.48SS..Hα-helixtrans-61.8-43172.400000111.8Q303 F305 V309 A310 I311Q303-A307 VanDerWaalsContact O-CB 3.32Å; Q303-A307 WeakPolarHBondContact O-CB 3.36Å; Q303-A307 PolarHBondContact O-N 2.9Å; F305-A307 VanDerWaalsContact C-N 3.34Å; F305-A307 PolarHBondContact O-N 3.26Å; A307-V309 PolarHBondContact O-N 3.33Å; A307-A310 PolarHBondContact O-N 3.11Å; A307-I311 WeakPolarHBondContact O-CB 3.44Å; A307-I311 WeakPolarHBondContact O-CD1 3.45Å; A307-I311 VanDerWaalsContact O-CG1 3.23Å; A307-I311 WeakPolarHBondContact O-CG1 3.22Å; A307-I311 PolarHBondContact O-N 2.74Å
308T29.4Very low41.6Very low77 Ų7796.5 Ų96.547%0.47249%0.487SS..Hα-helixtrans-62.6-42.3176.2-58.80000111.9A304 F305 N312A304-T308 WeakPolarHBondContact O-CB 3.4Å; A304-T308 PolarHBondContact O-N 3.19Å; A304-T308 PolarHBondContact O-OG1 3.1Å; F305-T308 WeakPolarHBondContact O-CB 3.34Å; F305-T308 PolarHBondContact O-N 3.35Å; F305-T308 VanDerWaalsContact O-N 3.12Å; T308-N312 WeakPolarHBondContact O-CB 3.41Å; T308-N312 PolarHBondContact O-N 3.3Å; T308-N312 PolarHBondContact O-ND2 2.74Å
309V41.4Very low42Very low77 Ų7798.7 Ų98.747%0.46750%0.5SS..Hα-helixtrans-65-44.3174.9173.10000111F305 N306 A307 N312 H313F305-V309 HydrophobicContact CD1-CG2 4.21Å; F305-V309 HydrophobicContact CE1-CG2 3.85Å; F305-V309 HydrophobicContact CZ-CG2 4.05Å; F305-V309 WeakPolarHBondContact O-CG2 3.18Å; F305-V309 PolarHBondContact O-N 2.9Å; N306-V309 PolarHBondContact O-N 2.89Å; A307-V309 PolarHBondContact O-N 3.33Å; V309-N312 PolarHBondContact O-N 2.98Å; V309-H313 WeakPolarHBondContact O-CB 3.44Å; V309-H313 PolarHBondContact O-N 3.03Å
310A35.5Very low42.1Very low48 Ų4898.2 Ų98.240%0.39750%0.5SS..Hα-helixtrans-61.9-45.2176.700000112.2N306 A307 N312 H313 M314N306-A310 WeakPolarHBondContact O-CB 3.49Å; N306-A310 PolarHBondContact O-N 3.46Å; A307-A310 PolarHBondContact O-N 3.11Å; A310-N312 VanDerWaalsContact C-N 3.33Å; A310-N312 PolarHBondContact O-N 3.4Å; A310-H313 PolarHBondContact O-N 3.48Å; A310-M314 WeakPolarHBondContact O-CB 3.23Å; A310-M314 WeakPolarHBondContact O-CG 3.43Å; A310-M314 PolarHBondContact O-N 2.93Å
311I44.8Very low42.2Very low88 Ų88100.6 Ų100.645%0.45151%0.512SS..Hα-helixtrans-58.6-44.4174.7-72.3163.5000110.8A307 M314 K315A307-I311 WeakPolarHBondContact O-CB 3.44Å; A307-I311 WeakPolarHBondContact O-CD1 3.45Å; A307-I311 VanDerWaalsContact O-CG1 3.23Å; A307-I311 WeakPolarHBondContact O-CG1 3.22Å; A307-I311 PolarHBondContact O-N 2.74Å; I311-M314 PolarHBondContact O-N 3.2Å; I311-K315 HydrophobicContact CG2-CD 4.11Å; I311-K315 WeakPolarHBondContact O-CB 3.41Å; I311-K315 VanDerWaalsContact O-CG 3.29Å; I311-K315 WeakPolarHBondContact O-CG 3.49Å; I311-K315 PolarHBondContact O-N 2.98Å
312N36.3Very low43.6Very low89 Ų8994.7 Ų94.748%0.47650%0.499SS..Hα-helixtrans-68.9-34.1178.1-72.5-25.4000112.3T308 V309 A310 K316T308-N312 WeakPolarHBondContact O-CB 3.41Å; T308-N312 PolarHBondContact O-N 3.3Å; T308-N312 PolarHBondContact O-ND2 2.74Å; V309-N312 PolarHBondContact O-N 2.98Å; A310-N312 VanDerWaalsContact C-N 3.33Å; A310-N312 PolarHBondContact O-N 3.4Å; N312-K316 WeakPolarHBondContact O-CB 3.44Å; N312-K316 PolarHBondContact O-N 3.47Å
313H40Very low44.5Very low86 Ų8694.5 Ų94.540%0.39850%0.499SS..Hα-helixtrans-67.2-45172.7-167.5-120.2000111.7V309 A310 K315 K316 L317V309-H313 WeakPolarHBondContact O-CB 3.44Å; V309-H313 PolarHBondContact O-N 3.03Å; A310-H313 PolarHBondContact O-N 3.48Å; H313-K315 PolarHBondContact O-N 3.45Å; H313-K316 WeakPolarHBondContact O-CB 3.12Å; H313-K316 PolarHBondContact O-N 3.19Å; H313-K316 VanDerWaalsContact O-N 3.15Å; H313-L317 WeakPolarHBondContact O-CG 3.14Å; H313-L317 PolarHBondContact O-N 2.73Å
314M44.8Very low44.7Very low120 Ų12094.2 Ų94.259%0.59150%0.5SS*.Hα-helixtrans-63.7-40.6176.2-70.1179.777.500112.1A310 I311 K316 L317 Q318A310-M314 WeakPolarHBondContact O-CB 3.23Å; A310-M314 WeakPolarHBondContact O-CG 3.43Å; A310-M314 PolarHBondContact O-N 2.93Å; I311-M314 PolarHBondContact O-N 3.2Å; M314-K316 VanDerWaalsContact C-N 3.33Å; M314-K316 PolarHBondContact O-N 3.24Å; M314-L317 PolarHBondContact O-N 2.86Å; M314-Q318 WeakPolarHBondContact O-CB 3.33Å; M314-Q318 WeakPolarHBondContact O-CG 3.28Å; M314-Q318 PolarHBondContact O-N 3.08Å
315K44.2Very low45.5Very low111 Ų11194.3 Ų94.348%0.48350%0.501SS..Hα-helixtrans-59.2-42.7170.8-75.5171.1-179.1173.70111.8I311 H313 Q318 L319I311-K315 HydrophobicContact CG2-CD 4.11Å; I311-K315 WeakPolarHBondContact O-CB 3.41Å; I311-K315 VanDerWaalsContact O-CG 3.29Å; I311-K315 WeakPolarHBondContact O-CG 3.49Å; I311-K315 PolarHBondContact O-N 2.98Å; H313-K315 PolarHBondContact O-N 3.45Å; K315-Q318 PolarHBondContact O-N 3.31Å; K315-L319 WeakPolarHBondContact O-CB 3.09Å; K315-L319 VanDerWaalsContact O-CG 3.32Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.33Å
316K50.2Low46.5Very low152 Ų15293.7 Ų93.766%0.66150%0.503SS*.Hα-helixtrans-65.1-39.3177.3-167.4178.1-177.6-177.80112.2N312 H313 M314 A320N312-K316 WeakPolarHBondContact O-CB 3.44Å; N312-K316 PolarHBondContact O-N 3.47Å; H313-K316 WeakPolarHBondContact O-CB 3.12Å; H313-K316 PolarHBondContact O-N 3.19Å; H313-K316 VanDerWaalsContact O-N 3.15Å; M314-K316 VanDerWaalsContact C-N 3.33Å; M314-K316 PolarHBondContact O-N 3.24Å; K316-A320 WeakPolarHBondContact O-CB 3.01Å; K316-A320 PolarHBondContact O-N 3.14Å
317L47.7Very low47.4Very low85 Ų8596.9 Ų96.945%0.44551%0.508SS..Hα-helixtrans-67.4-41.5173.4-70.3171.9000112H313 M314 A320 H321H313-L317 WeakPolarHBondContact O-CG 3.14Å; H313-L317 PolarHBondContact O-N 2.73Å; M314-L317 PolarHBondContact O-N 2.86Å; L317-A320 PolarHBondContact O-N 3.06Å; L317-H321 WeakPolarHBondContact O-CB 3.21Å; L317-H321 PolarHBondContact O-CD2 2.97Å; L317-H321 VanDerWaalsContact O-CD2 3.27Å; L317-H321 PolarHBondContact O-N 3.1Å
318Q50.2Low48.3Very low127 Ų127102.3 Ų102.359%0.59353%0.525SS*.Hα-helixtrans-59.7-48174-77.3175.2-24.800111.4M314 K315 A320 H321 T322M314-Q318 WeakPolarHBondContact O-CB 3.33Å; M314-Q318 WeakPolarHBondContact O-CG 3.28Å; M314-Q318 PolarHBondContact O-N 3.08Å; K315-Q318 PolarHBondContact O-N 3.31Å; Q318-A320 PolarHBondContact O-N 3.14Å; Q318-H321 WeakPolarHBondContact O-CB 3.44Å; Q318-H321 PolarHBondContact O-N 2.61Å; Q318-H321 VanDerWaalsContact O-N 3.16Å; Q318-T322 PolarHBondContact O-N 2.61Å; Q318-T322 PolarHBondContact O-OG1 3.07Å; Q318-T322 VanDerWaalsContact O-OG1 3.12Å
319L61.3Low48.9Very low123 Ų123102.4 Ų102.464%0.64453%0.534SS*.Hα-helixtrans-58.5-44.7175.7-72.6166.3000112K315 H321 T322 E323K315-L319 WeakPolarHBondContact O-CB 3.09Å; K315-L319 VanDerWaalsContact O-CG 3.32Å; K315-L319 WeakPolarHBondContact O-CG 3.43Å; K315-L319 PolarHBondContact O-N 3.33Å; L319-H321 VanDerWaalsContact C-N 3.34Å; L319-H321 PolarHBondContact O-N 2.67Å; L319-T322 PolarHBondContact O-N 2.65Å; L319-E323 WeakPolarHBondContact O-CB 3.28Å; L319-E323 PolarHBondContact O-N 3.17Å
320A56.1Low49.1Very low41 Ų41103 Ų10334%0.33954%0.541SS..Hα-helixtrans-63.8-36.817600000112.8K316 L317 Q318 E323 L324K316-A320 WeakPolarHBondContact O-CB 3.01Å; K316-A320 PolarHBondContact O-N 3.14Å; L317-A320 PolarHBondContact O-N 3.06Å; Q318-A320 PolarHBondContact O-N 3.14Å; A320-E323 PolarHBondContact O-N 3.47Å; A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 WeakPolarHBondContact O-CG 3.22Å; A320-L324 PolarHBondContact O-N 3.38Å
321H53Low49.3Very low135 Ų135106.9 Ų106.963%0.62556%0.56SS**Hα-helixtrans-67.5-40.1173.1-90.2-108.7000112.4L317 Q318 L319 L324 A325L317-H321 WeakPolarHBondContact O-CB 3.21Å; L317-H321 PolarHBondContact O-CD2 2.97Å; L317-H321 VanDerWaalsContact O-CD2 3.27Å; L317-H321 PolarHBondContact O-N 3.1Å; Q318-H321 WeakPolarHBondContact O-CB 3.44Å; Q318-H321 PolarHBondContact O-N 2.61Å; Q318-H321 VanDerWaalsContact O-N 3.16Å; L319-H321 VanDerWaalsContact C-N 3.34Å; L319-H321 PolarHBondContact O-N 2.67Å; H321-L324 PolarHBondContact O-N 2.92Å; H321-A325 WeakPolarHBondContact O-CB 3.03Å; H321-A325 PolarHBondContact O-N 2.97Å
322T61.1Low49.1Very low82 Ų82107.4 Ų107.450%0.50357%0.569SS.*Hα-helixtrans-63.9-42173.6-57.10000111.1Q318 L319 A325 L326Q318-T322 PolarHBondContact O-N 2.61Å; Q318-T322 PolarHBondContact O-OG1 3.07Å; Q318-T322 VanDerWaalsContact O-OG1 3.12Å; L319-T322 PolarHBondContact O-N 2.65Å; T322-A325 PolarHBondContact O-N 3.06Å; T322-L326 HydrophobicContact CG2-CD1 4.16Å; T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 3.16Å
323E58.8Low49Very low98 Ų98109.4 Ų109.446%0.45858%0.58SS.*Hα-helixtrans-65.2-41.3176.9-161.4-170.8159.100112.1L319 A320 L326 R327L319-E323 WeakPolarHBondContact O-CB 3.28Å; L319-E323 PolarHBondContact O-N 3.17Å; A320-E323 PolarHBondContact O-N 3.47Å; E323-L326 PolarHBondContact O-N 2.83Å; E323-R327 WeakPolarHBondContact O-CB 3.36Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.33Å; E323-R327 PolarHBondContact O-N 2.89Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 VanDerWaalsContact OE1-CZ 3.3Å; E323-R327 IonicContact OE1-NE 2.71Å; E323-R327 PolarHBondContact OE1-NE 2.81Å; E323-R327 VanDerWaalsContact OE1-NE 3.17Å; E323-R327 IonicContact OE1-NH2 2.71Å; E323-R327 PolarHBondContact OE1-NH2 3.12Å
324L53.6Low49Very low98 Ų98112.2 Ų112.251%0.51360%0.596SS.*Hα-helixtrans-63.9-40.5173.3-82.6163.3000112.4A320 H321 R327 Q328A320-L324 WeakPolarHBondContact O-CB 3.31Å; A320-L324 WeakPolarHBondContact O-CG 3.22Å; A320-L324 PolarHBondContact O-N 3.38Å; H321-L324 PolarHBondContact O-N 2.92Å; L324-R327 PolarHBondContact O-N 3.18Å; L324-Q328 WeakPolarHBondContact O-CG 3.42Å; L324-Q328 PolarHBondContact O-N 3.35Å
325A50.7Low48.6Very low57 Ų57114 Ų11447%0.47160%0.601SS.*Hα-helixtrans-64.5-41.9175.900000112H321 T322 Q328 A329H321-A325 WeakPolarHBondContact O-CB 3.03Å; H321-A325 PolarHBondContact O-N 2.97Å; T322-A325 PolarHBondContact O-N 3.06Å; A325-Q328 PolarHBondContact O-N 3.24Å; A325-A329 PolarHBondContact O-N 2.85Å
326L53.9Low48.1Very low122 Ų122115.2 Ų115.264%0.63962%0.617SS**Hα-helixtrans-62.4-41.6174.3-73.1166000111.9T322 E323 Q328 A329T322-L326 HydrophobicContact CG2-CD1 4.16Å; T322-L326 WeakPolarHBondContact O-CG 3.46Å; T322-L326 PolarHBondContact O-N 3.16Å; E323-L326 PolarHBondContact O-N 2.83Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.11Å; L326-A329 PolarHBondContact O-N 3.49Å
327R52.3Low47.3Very low170 Ų170115.3 Ų115.364%0.64262%0.623SS**Hα-helixtrans-68.1-22.7175.6-70.8168.3-179.3-128.49.7113.7E323 L324 S330E323-R327 WeakPolarHBondContact O-CB 3.36Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.33Å; E323-R327 PolarHBondContact O-N 2.89Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 VanDerWaalsContact OE1-CZ 3.3Å; E323-R327 IonicContact OE1-NE 2.71Å; E323-R327 PolarHBondContact OE1-NE 2.81Å; E323-R327 VanDerWaalsContact OE1-NE 3.17Å; E323-R327 IonicContact OE1-NH2 2.71Å; E323-R327 PolarHBondContact OE1-NH2 3.12Å; L324-R327 PolarHBondContact O-N 3.18Å; R327-S330 PolarHBondContact O-OG 2.69Å
328Q48.4Very low46.5Very low162 Ų162118.3 Ų118.376%0.75764%0.64SS**Hα-helixtrans-86.1-14.5174.3-74.7-178-8.600113.6L324 A325 L326L324-Q328 WeakPolarHBondContact O-CG 3.42Å; L324-Q328 PolarHBondContact O-N 3.35Å; A325-Q328 PolarHBondContact O-N 3.24Å; L326-Q328 VanDerWaalsContact C-N 3.28Å; L326-Q328 PolarHBondContact O-N 3.11Å
329A41.8Very low45.9Very low80 Ų80118.4 Ų118.466%0.66165%0.649SS**Hα-helixtrans-82.2-18178.900000114A325 L326 V331A325-A329 PolarHBondContact O-N 2.85Å; L326-A329 PolarHBondContact O-N 3.49Å; A329-V331 PolarHBondContact O-N 3.25Å
330S46Very low44.4Very low89 Ų89118 Ų11862%0.62266%0.656SS**  trans-89.187.1-178.158.20000112.5R327R327-S330 PolarHBondContact O-OG 2.69Å
331V40.5Very low43.1Very low130 Ų130121.2 Ų121.279%0.78868%0.676SS**  trans-73.7130.1167.5-178.60000109.4A329A329-V331 PolarHBondContact O-N 3.25Å
332P39.7Very low42.4Very low99 Ų99120 Ų12064%0.64368%0.68SS**  trans-74.4139.5176.630-34.1000112.1I334P332-I334 PolarHBondContact O-N 2.94Å
333D34.5Very low40.9Very low131 Ų131121.5 Ų121.570%0.70169%0.69SS**  trans-76.498.9-176.6-174.629.3000111.9K335D333-K335 PolarHBondContact O-N 3.26Å; D333-K335 WeakPolarHBondContact OD2-CE 3.39Å; D333-K335 IonicContact OD2-NZ 3.55Å
334I39.3Very low39.5Very low145 Ų145126 Ų12674%0.74471%0.707SS**  trans-83.995.3-178.7-56.9179000110P332 V336P332-I334 PolarHBondContact O-N 2.94Å; I334-V336 PolarHBondContact O-N 2.92Å
335K37.2Very low38.2Very low157 Ų157125.9 Ų125.968%0.68372%0.715SS**  trans-80.3107.4173.4-65-171.1-178.1-1780111.5D333D333-K335 PolarHBondContact O-N 3.26Å; D333-K335 WeakPolarHBondContact OD2-CE 3.39Å; D333-K335 IonicContact OD2-NZ 3.55Å
336V33.5Very low37.2Very low137 Ų137134.2 Ų134.283%0.8373%0.734SS**  trans-71.4134.4165-177.10000108.9I334I334-V336 PolarHBondContact O-N 2.92Å
337I33.9Very low36.1Very low154 Ų154137 Ų13779%0.7974%0.741SS**  trans-130.8127.9174-56.5178000107.3
338D31.2Very low35.1Very low148 Ų148136.3 Ų136.379%0.79175%0.745SS**  trans-95.3168.4-177.8-156-3000112.1
339V36.2Very low34.1Very low129 Ų129137.3 Ų137.378%0.78275%0.749SS**  trans-89.1124-156.5-177.40000114.1
340S30.4Very low33.5Very low115 Ų115140.4 Ų140.480%0.80476%0.755SS**  trans-157.1125.415361.20000114.1
341S29Very low33.4Very low107 Ų107141.4 Ų141.475%0.74876%0.759SS**  trans-79.4158.8164.7-48.70000109.8
342P39.3Very low32.8Very low111 Ų111144.1 Ų144.172%0.72176%0.763SS**  -158.5159.562.241.9-19.6000120.9
343T28.2Very low32.3Very low113 Ų113148 Ų14869%0.69377%0.77SS**  trans69.8130142.647.70000125
344K29.1Very low32.6Very low192 Ų192147.1 Ų147.184%0.83577%0.771SS**  trans75.1145.1141-69.2168-173.7174.30118.8
345S27.8Very low32.2Very low95 Ų95147.4 Ų147.466%0.66477%0.77SS**  cis-173.8144.8-12.151.20000115.1
346R29.4Very low31.7Very low233 Ų233144.4 Ų144.488%0.87977%0.765SS**  trans58.9143.1152.1-69.7177163.6171.2-6.5117.9
347K30.2Very low31.5Very low179 Ų179145.8 Ų145.878%0.77876%0.759SS**  cis-159.5149.145-83.5-173.8171.6-179.20112.9
348H31.6Very low31.3Very low157 Ų157145.7 Ų145.773%0.72775%0.753SS**  trans45.5153.1140.2-63-68.7000121.8
349Q28.1Very low31.1Very low183 Ų183145 Ų14586%0.85575%0.745SS**  cis-148.9149.915.8-145.3155.8-10.200112.9
350D27.7Very low30.7Very low144 Ų144145.2 Ų145.277%0.7774%0.742SS**  trans-106169.7167.7-122.5-25.4000107.5
351P44.3Very low30.8Very low111 Ų111146.7 Ų146.772%0.72174%0.74SS**  cis-149.9169.541.841.5-20.9000118.3
352E29.1Very low30.8Very low186 Ų186149.6 Ų149.687%0.86975%0.747SS**  -172.2165108.6-104.6-175.2177.400113.7
353K28.2Very low30.3Very low181 Ų181147.6 Ų147.679%0.78775%0.747SS**  trans-154.9153.7-172.4-131.4-172.6-176.6-177.20108.4
354P40.5Very low30.3Very low112 Ų112149.4 Ų149.473%0.72775%0.752SS**  -152.2158.477.641.1-22.2000117.4
355E30.6Very low30.5Very low152 Ų152147.2 Ų147.271%0.7175%0.748SS**  45.1149128-56.8-154.8161.800123.3
356T28.3Very low30.6Very low94 Ų94146.8 Ų146.858%0.57775%0.745SS**  cis-165.9157.7-1.419.40000113.9
357K28.8Very low30.6Very low165 Ų165144.1 Ų144.172%0.71774%0.742SS**  trans62.5131.7138.6-74.2162.3-172.6163.60123.1
358K29.6Very low30.6Very low152 Ų152140.8 Ų140.866%0.66174%0.737SS**  trans68159.9133.8-68.4-174.1167.6-740118.6
359E27.7Very low30.4Very low134 Ų134141 Ų14163%0.62674%0.739SS**  cis-168.6149.6-30.7-108.8158.1-160.500106.9
360D27.7Very low30.5Very low134 Ų134140 Ų14072%0.71773%0.733SS**  trans61.4130.9142.9-708.5000126.2
361I32.1Very low30.6Very low146 Ų146140.9 Ų140.975%0.74974%0.735SS**  trans89.7117.8132.6-69.9167.7000122.7
362N28.5Very low29.8Very low167 Ų167140.1 Ų140.189%0.89373%0.732SS**  trans41145.2147.4-80.7-13.5000125.8
363G28.1Very low29.9Very low70 Ų70139 Ų13972%0.72273%0.731SS**  trans131.584.1156.500000113.2
364N28.4Very low30.3Very low151 Ų151136 Ų13681%0.80773%0.731SS**  83.514955.6-164.225.4000113.8
365I33.3Very low30.3Very low145 Ų145136.8 Ų136.874%0.74474%0.735SS**  trans75.2131.3174.1-52.4177.9000113.4
366S30.2Very low30.2Very low87 Ų87135.1 Ų135.161%0.60874%0.741SS**  cis-164.2152.9-4.146.70000113.5
367E29.1Very low30.3Very low177 Ų177139.8 Ų139.883%0.82776%0.755SS**  trans60.7156.5143.7-68.2178.8168.800120.3
368T30Very low30.4Very low109 Ų109137.2 Ų137.267%0.66975%0.753SS**  cis-159171.6-14.924.20000107
369Q28.8Very low30.4Very low162 Ų162136.4 Ų136.476%0.75776%0.756SS**  cis-145.5158.9-4.1-110.9164.654.200105.7
370H29.6Very low30.3Very low161 Ų161136.3 Ų136.375%0.74576%0.759SS**  44.9146.580.7-74.8-80.7000116.9
371M29.1Very low30.3Very low162 Ų162138.6 Ų138.680%0.79876%0.763SS**  cis-146.6178.810.9-130.7-39.3-159.200112.3
372S28.6Very low30Very low96 Ų96137.2 Ų137.267%0.67176%0.757SS**  trans-106.9169.7-179.7-59.70000114.1
373L30.5Very low30Very low162 Ų162138.6 Ų138.685%0.84876%0.758SS**  trans17.8144.8143.2-70.8171.8000119.5
374P36.3Very low29.9Very low119 Ų119143.4 Ų143.477%0.77376%0.759SS**  -151.5-134.464.644.2-19.9000115.4
375P40.6Very low29.9Very low127 Ų127143.8 Ų143.883%0.82576%0.756SS**  trans-121.7-174.2-136.733.1-7.8000115.6
376S29.4Very low29.9Very low117 Ų117142.8 Ų142.882%0.81876%0.759SS**  trans-106157.7178.552.20000114.2
377H30.7Very low29.7Very low192 Ų192146.3 Ų146.389%0.88977%0.77SS**  trans-129.3-177.3-176.7-136.1-102.5000111.8
378V30.8Very low29.6Very low111 Ų111148.1 Ų148.167%0.67378%0.775SS**  trans-95.8157.4-160-1450000115.4
379D28.6Very low29.4Very low135 Ų135147.7 Ų147.772%0.72278%0.782SS**  trans111134.2131.5-97.3-41.5000124.6
380L26.5Very low29.3Very low132 Ų132144.9 Ų144.969%0.69178%0.781SS**  trans53.5110.8142.8-86.4157.2000123.8
381K27.1Very low29.2Very low183 Ų183146 Ų14680%0.79679%0.786SS**  176.2140.699.8-99.3163.6-175.21710117.7
382N25.2Very low29.1Very low117 Ų117142.7 Ų142.763%0.62678%0.779SS**  trans27138.8142.2-55.33.3000122.8
383H28.9Very low29Very low196 Ų196146 Ų14691%0.90778%0.784SS**  -152.4163.4119-106.972.4000110.9
384F27.3Very low28.8Very low171 Ų171145.3 Ų145.375%0.7578%0.781SS**  trans-115.7148.5-170.7-103.7-117.9000112.9
385H27.1Very low28.3Very low158 Ų158143.9 Ų143.973%0.73178%0.779SS**  trans25.2154.4138.9-76-39.8000122.6
386P33.8Very low27.6Very low125 Ų125142 Ų14281%0.81277%0.774SS**  cis-146.5-173.941.142.8-21.9000118.7
387L26.6Very low27.5Very low161 Ų161144.7 Ų144.784%0.84377%0.774SS**  trans-80.6162.8177.6-66.3145.6000113.8
388K26.8Very low27.4Very low214 Ų214144.5 Ų144.593%0.9377%0.773SS**  trans-157.1159.3143.9-116.7176.7-175.3-178.50112
389A25.5Very low27.2Very low100 Ų100143.1 Ų143.183%0.82677%0.773SS**  trans-151149.7-176.500000113.1
390S27.2Very low27.6Very low103 Ų103142.7 Ų142.772%0.7278%0.778SS**  trans-172.9131.2170.943.50000107.2
391Q26.4Very low27.6Very low184 Ų184141.3 Ų141.386%0.8678%0.779SS**  58.8134.980.2-67.7178.6-14.600113.6
392S26.6Very low27.6Very low93 Ų93141 Ų14165%0.6578%0.783SS**  cis-171.7155.3-0.750.20000114.2
393Q27.6Very low27.8Very low166 Ų166140.3 Ų140.378%0.77679%0.793SS**  trans67.2153.8143.8-79.3180-13.700123.3
394N26.6Very low27.8Very low148 Ų148139.2 Ų139.279%0.79179%0.789SS**  trans72.4155.3159.8-58.7-21000119.5
395A26Very low27.8Very low88 Ų88140.1 Ų140.173%0.72780%0.795SS**  cis-170157.8-32.800000110.6
396A26.2Very low27.9Very low87 Ų87136 Ų13672%0.71980%0.795SS**  trans58.4118.8155.900000122.2
397Q26Very low27.8Very low175 Ų175140 Ų14082%0.81880%0.8SS**  35.7124127.8-61.2174.4-19.800120.9
398H28.7Very low27.9Very low188 Ų188139.5 Ų139.587%0.8779%0.793SS**  -168.6146.7110.8-109.2-74.5000113.5
399A26.2Very low28.1Very low81 Ų81134.8 Ų134.867%0.66978%0.782SS**  trans-125.6161.7155.400000107.3
400P37Very low28.2Very low126 Ų126139.3 Ų139.382%0.81878%0.779SS**  -155.4-174.385.741.6-22.3000116.7
401S26.2Very low28.2Very low104 Ų104142.6 Ų142.673%0.72778%0.783SS**  trans89.596.1148.6-160.60000121.6
402M27.8Very low28.4Very low177 Ų177139.4 Ų139.487%0.87278%0.781SS**  32.2121.6121.7-67.8-68.5176.100121.2
403A28.3Very low28.5Very low102 Ų102143.9 Ų143.984%0.84379%0.791SS**  trans-155.4148.113900000110.2
404E29.1Very low28.7Very low173 Ų173141.7 Ų141.781%0.80879%0.792SS**  trans-100.1177.6177.7-72.4-167.4118.700113.2
405Q28.2Very low28.9Very low190 Ų190139.3 Ų139.389%0.88879%0.793SS**  trans88.4130.8160.3-50-173.68.700117.4
406G28.4Very low29.1Very low71 Ų71142.8 Ų142.873%0.73280%0.799SS**  trans155.261.8178.200000114.8H408G406-H408 PolarHBondContact O-N 2.94Å
407K32.5Very low29.3Very low208 Ų208146.9 Ų146.990%0.90481%0.808SS**  trans-68.8118.3168.8-78.6-177177.3178.10109.7
408H29.2Very low29.7Very low151 Ų151145.4 Ų145.470%0.69981%0.806SS**  trans-122.4105.7163.2-99.8-84.1000111.1G406 Y410G406-H408 PolarHBondContact O-N 2.94Å; H408-Y410 HydrophobicContact CB-CD2 4.32Å; H408-Y410 HydrophobicContact CB-CE2 4.24Å; H408-Y410 AromaticContact ND1-CE2 3.95Å
409V29.4Very low29.7Very low116 Ų116140 Ų14070%0.70380%0.801SS**  trans-80.4119.5164176.90000107.2
410Y27.7Very low30Very low195 Ų195146.8 Ų146.877%0.76581%0.811SS**  trans-102.5111.3168.8-93.6-86.3000109.7H408H408-Y410 HydrophobicContact CB-CD2 4.32Å; H408-Y410 HydrophobicContact CB-CE2 4.24Å; H408-Y410 AromaticContact ND1-CE2 3.95Å
411H28.1Very low29.7Very low171 Ų171145.8 Ų145.879%0.79281%0.813SS**  trans-75.8134.2162.7-75.4-93.5000109.2
412S30.3Very low30Very low118 Ų118150.6 Ų150.683%0.82582%0.821SS**  trans-111.6106.4171.953.30000109.8
413E29.9Very low30.3Very low186 Ų186149.6 Ų149.687%0.86982%0.819SS**PPolyproline II helixtrans-77.8148.1168.4-70.5-165.9137.100111.2
414P31.1Very low30.9Very low121 Ų121155.9 Ų155.979%0.78682%0.821SS**PPolyproline II helixtrans-76.6125-178.930.3-34.1000112.1N416P414-N416 PolarHBondContact O-N 3.32Å
415A30.5Very low31.6Very low98 Ų98155.1 Ų155.181%0.8182%0.822SS**PPolyproline II helixtrans-72.1122.5177.500000112.2L417A415-L417 PolarHBondContact O-N 2.89Å
416N30.1Very low32.4Very low160 Ų160149.9 Ų149.986%0.85682%0.819SS**  trans-67.4113.8176.6-95.4-66.3000112.3P414 N418P414-N416 PolarHBondContact O-N 3.32Å; N416-N418 PolarHBondContact O-N 3.03Å; N416-N418 VanDerWaalsContact O-N 3.16Å
417L31.2Very low32.8Very low174 Ų174155.6 Ų155.691%0.91182%0.824SS**  trans-84.480.2172.5-85.2167000111.7A415A415-L417 PolarHBondContact O-N 2.89Å
418N33.8Very low32.9Very low144 Ų144152.8 Ų152.877%0.7782%0.824SS**  trans-144.676.5167.9-112.9-33.3000111N416N416-N418 PolarHBondContact O-N 3.03Å; N416-N418 VanDerWaalsContact O-N 3.16Å
419G28.8Very low32.9Very low75 Ų75152.8 Ų152.877%0.77383%0.829SS**  trans-126.991-174.600000113.5A421G419-A421 PolarHBondContact O-N 3.27Å
420Y31.6Very low33.1Very low223 Ų223156.3 Ų156.388%0.87584%0.837SS**  trans-76.5106.3173.4-83.5-89.3000111.8
421A31.7Very low33.1Very low104 Ų104152.9 Ų152.986%0.8684%0.837SS**  trans-94.3101.6171.700000111.7G419G419-A421 PolarHBondContact O-N 3.27Å
422K32.8Very low33.2Very low206 Ų206148.1 Ų148.190%0.89684%0.835SS**  trans-83138.2166.4-74.1177.9176.9174.20109.9
423N34.3Very low33Very low155 Ų155148.7 Ų148.783%0.82983%0.833SS**  trans-115154172-154.5-7.8000112.1N425N423-N425 PolarHBondContact O-N 3.39Å
424R40.2Very low32.7Very low234 Ų234145.1 Ų145.188%0.88383%0.827SS**THydrogen-bonded Turntrans-73.387.9-174.4-73178.8169.7176.9-3.9111.7
425N43.8Very low32.4Very low158 Ų158144.7 Ų144.785%0.84583%0.827SS**THydrogen-bonded Turntrans177.715.7142.6-90.9-11.6000115.1N423 K427N423-N425 PolarHBondContact O-N 3.39Å; N425-K427 VanDerWaalsContact C-N 3.32Å; N425-K427 PolarHBondContact O-N 3.31Å
426G45.3Very low32.3Very low80 Ų80146 Ų14683%0.82582%0.819SS**  trans66.618.9154.700000117.9
427K35.9Very low32.2Very low191 Ų191148.6 Ų148.683%0.8383%0.828SS**  trans-120.2126173.7-73.2-174.3174.8-178.30111.3N425 L429N425-K427 VanDerWaalsContact C-N 3.32Å; N425-K427 PolarHBondContact O-N 3.31Å; K427-L429 PolarHBondContact O-N 3.41Å
428T36.1Very low32.3Very low148 Ų148147.3 Ų147.391%0.90882%0.824SS**  trans-72.1116173.2-46.50000109.4
429L29.3Very low32.2Very low152 Ų152147.5 Ų147.580%0.79683%0.827SS**  trans-98.3107.3175.2-109162.6000109.7K427 T431K427-L429 PolarHBondContact O-N 3.41Å; L429-T431 VanDerWaalsContact C-N 3.34Å; L429-T431 PolarHBondContact O-N 3.16Å
430Q31.9Very low32.4Very low189 Ų189151.5 Ų151.588%0.88383%0.83SS**  trans-78.380.6178.3-173.6179.94.400109.9G432Q430-G432 PolarHBondContact O-N 3.31Å
431T29.1Very low32.4Very low123 Ų123147.3 Ų147.376%0.75583%0.827SS**  trans-72.880.2172.452.30000110L429 V433L429-T431 VanDerWaalsContact C-N 3.34Å; L429-T431 PolarHBondContact O-N 3.16Å; T431-V433 PolarHBondContact O-N 3.07Å
432G29.8Very low32.5Very low72 Ų72150 Ų15074%0.74283%0.825SS**  trans-66.2119.4173.500000110.8Q430Q430-G432 PolarHBondContact O-N 3.31Å
433V25.4Very low32.5Very low130 Ų130146.3 Ų146.379%0.78882%0.821SS**  trans-104.2119.3164.6-1790000106.8T431 S435T431-V433 PolarHBondContact O-N 3.07Å; V433-S435 PolarHBondContact O-N 2.98Å
434C24.6Very low32.3Very low110 Ų110145.6 Ų145.674%0.74382%0.82SS**  trans-78109.6-174.6-159.30000110
435S25.1Very low31.7Very low112 Ų112138.8 Ų138.878%0.78382%0.815SS**  trans-90113.9169.8-60.70000109.3V433V433-S435 PolarHBondContact O-N 2.98Å
436I26.5Very low30.7Very low127 Ų127137.3 Ų137.365%0.65181%0.813SS**  trans-124.9102.5174.3-67.1177.4000103.2
437M29.5Very low29.4Very low213 Ų213142.5 Ų142.5100%1.04981%0.812SS**  73.7084-76.6-168.8-66.300112.3

Retrieved 437 of 437 residues in 319.9 ms (Link to these results)

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