A0A077ZJV7_TRITR Loading...

2-dehydropantoate 2-reductase

AlphaFold DB , UniProt , Accession A0A077ZJV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 303 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M94.4Very high97.2Very high60 Ų6029.1 Ų29.130%0.29616%0.16SC..  0-45.70-78-51.5-67.700112.8S3 R4 I5 L68 T118 W120 A122M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.91Å; M1-R4 WeakPolarHBondContact O-CB 3.49Å; M1-R4 PolarHBondContact O-N 2.87Å; M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 PolarHBondContact O-N 2.86Å; M1-I5 VanDerWaalsContact O-N 3.15Å; M1-L68 HydrophobicContact CB-CD2 4.01Å; M1-T118 HydrophobicContact CE-CG2 4.08Å; M1-W120 HydrophobicContact CE-CB 3.63Å; M1-W120 HydrophobicContact SD-CB 4.36Å; M1-A122 HydrophobicContact CG-CB 4.31Å; M1-A122 HydrophobicContact SD-CB 3.54Å; M1-A122 VanDerWaalsContact SD-CB 3.54Å
2G96.7Very high97.3Very high31 Ų3129.8 Ų29.832%0.3217%0.172SC..Hα-helixtrans-48.4-49.3175.200000113.4R4 I5 G6G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 2.96Å; G2-I5 PolarHBondContact O-N 3.44Å; G2-G6 PolarHBondContact O-N 2.98Å
3S97Very high97.3Very high14 Ų1432.8 Ų32.810%0.09822%0.215CC..Hα-helixtrans-56.3-40.4175.8-45.20000114M1 L7M1-S3 VanDerWaalsContact C-N 3.31Å; M1-S3 PolarHBondContact O-N 2.91Å; S3-L7 WeakPolarHBondContact O-CB 3.4Å; S3-L7 PolarHBondContact O-N 3.03Å
4R97.2Very high97.3Very high3 Ų334.3 Ų34.31%0.01122%0.219CC..Hα-helixtrans-63.6-56.8178.4-176179.2-79.3-84.612.7110.7M1 G2 L7 M8 T121 A122 L132 V133M1-R4 WeakPolarHBondContact O-CB 3.49Å; M1-R4 PolarHBondContact O-N 2.87Å; G2-R4 VanDerWaalsContact C-N 3.33Å; G2-R4 PolarHBondContact O-N 2.96Å; R4-L7 PolarHBondContact O-N 2.95Å; R4-M8 HydrophobicContact CG-SD 3.56Å; R4-M8 VanDerWaalsContact CG-SD 3.56Å; R4-M8 WeakPolarHBondContact O-CB 3.46Å; R4-M8 VanDerWaalsContact O-CG 3.27Å; R4-M8 WeakPolarHBondContact O-CG 3.37Å; R4-M8 PolarHBondContact O-N 3.46Å; R4-T121 VanDerWaalsContact CZ-O 3.29Å; R4-T121 PolarHBondContact NE-O 2.92Å; R4-T121 PolarHBondContact NH2-O 3.26Å; R4-A122 HydrophobicContact CB-CB 4.39Å; R4-L132 HydrophobicContact CB-CD1 4.45Å; R4-L132 HydrophobicContact CB-CD2 3.64Å; R4-L132 HydrophobicContact CG-CD2 4.19Å; R4-L132 PolarHBondContact NH1-O 3.17Å; R4-L132 VanDerWaalsContact NH1-O 3.13Å; R4-L132 VanDerWaalsContact NH2-CA 3.28Å; R4-L132 PolarHBondContact NH2-O 3.07Å; R4-V133 PolarHBondContact NH2-O 3.39Å
5I97.9Very high97.2Very high3 Ų345.1 Ų45.12%0.01527%0.266CS..Hα-helixtrans-65.2-45.8-174.1-71.7167.5000109.7M1 G2 L7 M8 L9 V66 L68 L94 I138 F158 L163M1-I5 HydrophobicContact CE-CD1 4.16Å; M1-I5 PolarHBondContact O-N 2.86Å; M1-I5 VanDerWaalsContact O-N 3.15Å; G2-I5 PolarHBondContact O-N 3.44Å; I5-L7 PolarHBondContact O-N 2.75Å; I5-M8 PolarHBondContact O-N 2.89Å; I5-L9 HydrophobicContact CG2-CD1 3.58Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 VanDerWaalsContact O-CB 3.31Å; I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 2.8Å; I5-V66 HydrophobicContact CD1-CG1 4.47Å; I5-V66 HydrophobicContact CG2-CG1 4.43Å; I5-L68 HydrophobicContact CB-CD1 4.34Å; I5-L68 HydrophobicContact CD1-CD1 3.67Å; I5-L68 HydrophobicContact CD1-CD2 4.23Å; I5-L94 HydrophobicContact CD1-CD1 3.63Å; I5-I138 HydrophobicContact CD1-CD1 4.19Å; I5-I138 HydrophobicContact CG1-CD1 4.47Å; I5-F158 HydrophobicContact CG2-CE1 4.43Å; I5-F158 HydrophobicContact CG2-CZ 4.27Å; I5-L163 HydrophobicContact CG1-CD1 4.42Å; I5-L163 HydrophobicContact CG1-CD2 4.13Å; I5-L163 HydrophobicContact CG2-CD1 4.29Å
6G97.8Very high97.2Very high6 Ų643.6 Ų43.66%0.06226%0.257CS..Hα-helixtrans-59.9-47.6178.200000112.8G2 L9 H10G2-G6 PolarHBondContact O-N 2.98Å; G6-L9 PolarHBondContact O-N 2.84Å; G6-H10 WeakPolarHBondContact O-CB 3.48Å; G6-H10 PolarHBondContact O-N 2.82Å
7L97.8Very high97.1Very high0 Ų044.6 Ų44.60%026%0.261CS..Hα-helixtrans-64.2-45.6179.2-174.563.3000112.1S3 R4 I5 H10 Q11 L34 F38 V43 A45 L132S3-L7 WeakPolarHBondContact O-CB 3.4Å; S3-L7 PolarHBondContact O-N 3.03Å; R4-L7 PolarHBondContact O-N 2.95Å; I5-L7 PolarHBondContact O-N 2.75Å; L7-H10 PolarHBondContact O-N 3.46Å; L7-Q11 VanDerWaalsContact O-CG 3.32Å; L7-Q11 WeakPolarHBondContact O-CG 3.32Å; L7-Q11 PolarHBondContact O-N 3.28Å; L7-L34 HydrophobicContact CB-CD2 4.34Å; L7-F38 HydrophobicContact CD2-CE2 3.67Å; L7-F38 HydrophobicContact CD2-CZ 3.79Å; L7-F38 HydrophobicContact CG-CZ 4.45Å; L7-V43 HydrophobicContact CD1-CG1 4.01Å; L7-V43 HydrophobicContact CD2-CB 4.29Å; L7-V43 HydrophobicContact CD2-CG1 4.4Å; L7-A45 HydrophobicContact CD1-CB 3.38Å; L7-L132 HydrophobicContact CD2-CD1 3.95Å
8M97.6Very high97.1Very high16 Ų1643.3 Ų43.38%0.07925%0.252CS..Hα-helixtrans-68.2-36.9-178.8-69.5175.868.100112.1R4 I5 A12 F38 W120 A161 K162 L163R4-M8 HydrophobicContact CG-SD 3.56Å; R4-M8 VanDerWaalsContact CG-SD 3.56Å; R4-M8 WeakPolarHBondContact O-CB 3.46Å; R4-M8 VanDerWaalsContact O-CG 3.27Å; R4-M8 WeakPolarHBondContact O-CG 3.37Å; R4-M8 PolarHBondContact O-N 3.46Å; I5-M8 PolarHBondContact O-N 2.89Å; M8-A12 PolarHBondContact O-N 3.1Å; M8-F38 HydrophobicContact CG-CE1 4.35Å; M8-F38 HydrophobicContact CG-CZ 4.39Å; M8-F38 HydrophobicContact SD-CE1 4.44Å; M8-W120 HydrophobicContact CE-CH2 4.33Å; M8-W120 HydrophobicContact CE-CZ2 4.48Å; M8-A161 HydrophobicContact CB-CB 4.4Å; M8-A161 WeakPolarHBondContact CE-O 3.44Å; M8-A161 WeakPolarHBondContact O-CB 3.18Å; M8-K162 HydrophobicContact CE-CB 4.27Å; M8-K162 WeakPolarHBondContact CE-O 3.39Å; M8-L163 HydrophobicContact CB-CD2 4.24Å; M8-L163 HydrophobicContact CB-CG 4.33Å; M8-L163 HydrophobicContact CE-CD2 3.7Å; M8-L163 HydrophobicContact CE-CG 4.02Å; M8-L163 HydrophobicContact SD-CD2 3.61Å; M8-L163 HydrophobicContact SD-CG 4.43Å
9L98.3Very high97.1Very high18 Ų1843.6 Ų43.69%0.09425%0.252CS..Hα-helixtrans-65.8-41.5173.1-73.1173.3000111.8I5 G6 A12 G13 N14 V16 V157 F158 A161 L163I5-L9 HydrophobicContact CG2-CD1 3.58Å; I5-L9 HydrophobicContact CG2-CG 4.21Å; I5-L9 VanDerWaalsContact O-CB 3.31Å; I5-L9 WeakPolarHBondContact O-CB 3.12Å; I5-L9 WeakPolarHBondContact O-CG 3.38Å; I5-L9 PolarHBondContact O-N 2.8Å; G6-L9 PolarHBondContact O-N 2.84Å; L9-A12 PolarHBondContact O-N 3.03Å; L9-G13 PolarHBondContact O-N 3.06Å; L9-N14 WeakPolarHBondContact O-CB 3.48Å; L9-N14 PolarHBondContact O-N 2.83Å; L9-N14 PolarHBondContact O-ND2 3.46Å; L9-V16 HydrophobicContact CB-CG2 3.8Å; L9-V157 HydrophobicContact CD2-CG1 3.63Å; L9-F158 HydrophobicContact CD1-CE2 4.2Å; L9-F158 HydrophobicContact CD1-CZ 4.37Å; L9-F158 HydrophobicContact CD2-CD2 3.97Å; L9-F158 HydrophobicContact CD2-CE2 3.99Å; L9-A161 HydrophobicContact CD2-CB 3.92Å; L9-L163 HydrophobicContact CD2-CD1 4.27Å; L9-L163 HydrophobicContact CG-CD1 4.26Å
10H97.9Very high97.1Very high72 Ų7244.3 Ų44.333%0.33326%0.255SS..Hα-helixtrans-63.1-45.4176176.271.1000112.3G6 L7 A12 G13 V16 L47G6-H10 WeakPolarHBondContact O-CB 3.48Å; G6-H10 PolarHBondContact O-N 2.82Å; L7-H10 PolarHBondContact O-N 3.46Å; H10-A12 PolarHBondContact O-N 3.4Å; H10-G13 WeakPolarHBondContact O-CA 3.46Å; H10-G13 PolarHBondContact O-N 3.37Å; H10-V16 HydrophobicContact CB-CB 4.42Å; H10-V16 HydrophobicContact CB-CG2 4.17Å; H10-L47 HydrophobicContact CB-CD2 3.71Å; H10-L47 VanDerWaalsContact CG-CD2 3.46Å; H10-L47 WeakPolarHBondContact ND1-CD2 3.49Å
11Q97Very high97.1Very high97 Ų9745.7 Ų45.745%0.45326%0.256SS..Hα-helixtrans-61.6-25.5175.4-72.6178.7-50.100113.1L7 G13L7-Q11 VanDerWaalsContact O-CG 3.32Å; L7-Q11 WeakPolarHBondContact O-CG 3.32Å; L7-Q11 PolarHBondContact O-N 3.28Å; Q11-G13 PolarHBondContact O-N 3.18Å
12A97.8Very high97.1Very high37 Ų3747.2 Ų47.231%0.30626%0.259SS..THydrogen-bonded Turntrans-82.35.2172.800000114.1M8 L9 H10 K160 A161M8-A12 PolarHBondContact O-N 3.1Å; L9-A12 PolarHBondContact O-N 3.03Å; H10-A12 PolarHBondContact O-N 3.4Å; A12-K160 HydrophobicContact CB-CB 4.44Å; A12-A161 HydrophobicContact CB-CB 3.89Å
13G97.6Very high97.2Very high70 Ų7049.5 Ų49.572%0.72227%0.267SS*.THydrogen-bonded Turntrans87.117.4175.300000115L9 H10 Q11L9-G13 PolarHBondContact O-N 3.06Å; H10-G13 WeakPolarHBondContact O-CA 3.46Å; H10-G13 PolarHBondContact O-N 3.37Å; Q11-G13 PolarHBondContact O-N 3.18Å
14N97.3Very high97.2Very high53 Ų5353.3 Ų53.328%0.28329%0.287SS..  trans-88.1147.7175.8-57.6-87.9000111L9 V16 V157L9-N14 WeakPolarHBondContact O-CB 3.48Å; L9-N14 PolarHBondContact O-N 2.83Å; L9-N14 PolarHBondContact O-ND2 3.46Å; N14-V16 HydrophobicContact CB-CG2 4.35Å; N14-V16 PolarHBondContact O-N 3.31Å; N14-V157 WeakPolarHBondContact OD1-CG1 2.98Å
15E95.9Very high97.3Very high197 Ų19753.4 Ų53.492%0.92129%0.288SS*.  trans-70.8122.5166.2-65.8-178.7-17000108.9
16V96.9Very high97.3Very high21 Ų2153.6 Ų53.613%0.12729%0.288CS..  trans-130.8126.4-174.8174.90000109L9 H10 N14 L18 L47L9-V16 HydrophobicContact CB-CG2 3.8Å; H10-V16 HydrophobicContact CB-CB 4.42Å; H10-V16 HydrophobicContact CB-CG2 4.17Å; N14-V16 HydrophobicContact CB-CG2 4.35Å; N14-V16 PolarHBondContact O-N 3.31Å; V16-L18 HydrophobicContact CG1-CD2 4.16Å; V16-L47 HydrophobicContact CB-CD2 4.03Å; V16-L47 HydrophobicContact CG1-CD2 4.28Å
17I96Very high97.3Very high61 Ų6157 Ų5731%0.31331%0.305SS..  trans-110.8134.3168.9-61.8173.1000107.8I19 P48 Y50 H59 A60I17-I19 HydrophobicContact CG2-CG1 4.41Å; I17-P48 HydrophobicContact CG1-CB 4.25Å; I17-Y50 HydrophobicContact CG2-CD2 3.51Å; I17-Y50 HydrophobicContact CG2-CE2 3.64Å; I17-H59 VanDerWaalsContact CD1-O 3.26Å; I17-H59 WeakPolarHBondContact CD1-O 3.34Å; I17-A60 HydrophobicContact CD1-CB 3.93Å
18L97.6Very high97.3Very high20 Ų2057.9 Ų57.911%0.10531%0.313CS..EExtended strand (participates in β ladder)trans-96.5143.7172.7-58.4179.2000110V16 I29 L34 L47 P48 I49 Y50V16-L18 HydrophobicContact CG1-CD2 4.16Å; L18-I29 HydrophobicContact CD1-CD1 4.25Å; L18-L34 HydrophobicContact CD1-CD2 4.1Å; L18-L47 HydrophobicContact CD1-CB 4.04Å; L18-L47 HydrophobicContact CD1-CD1 3.82Å; L18-L47 HydrophobicContact CG-CB 4.23Å; L18-L47 HydrophobicContact CG-CD1 4.23Å; L18-P48 PolarHBondContact N-O 3.48Å; L18-I49 HydrophobicContact CB-CB 3.92Å; L18-I49 HydrophobicContact CB-CD1 3.87Å; L18-I49 HydrophobicContact CB-CG1 3.73Å; L18-I49 HydrophobicContact CD1-CD1 4.27Å; L18-I49 VanDerWaalsContact O-CA 3.28Å; L18-I49 WeakPolarHBondContact O-CA 3.39Å; L18-Y50 PolarHBondContact O-N 2.96Å
19I97.2Very high97.4Very high49 Ų4957.2 Ų57.225%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-133.1124.3173.3-51.7176.8000107.8I17 Y50 P52 I55 M77 I81 I84I17-I19 HydrophobicContact CG2-CG1 4.41Å; I19-Y50 WeakPolarHBondContact CA-O 3.39Å; I19-P52 HydrophobicContact CG2-CB 4.46Å; I19-P52 HydrophobicContact CG2-CG 3.95Å; I19-I55 HydrophobicContact CD1-CD1 3.75Å; I19-I55 HydrophobicContact CD1-CG1 4.19Å; I19-I55 HydrophobicContact CG1-CD1 4.08Å; I19-M77 HydrophobicContact CG2-CE 4.46Å; I19-M77 HydrophobicContact CG2-SD 4.04Å; I19-I81 HydrophobicContact CD1-CB 4.48Å; I19-I81 HydrophobicContact CD1-CG2 3.9Å; I19-I81 HydrophobicContact CG2-CG2 4.06Å; I19-I84 HydrophobicContact CD1-CD1 3.64Å
20D97.1Very high97.4Very high57 Ų5761.5 Ų61.531%0.30532%0.324SS..  trans-143.3157.9179.7-156.7-61.6000109.7W22 H25 I26 I49 Y50 S51 P52D20-W22 WeakPolarHBondContact OD1-CB 3.41Å; D20-W22 PolarHBondContact OD1-N 3.22Å; D20-H25 IonicContact OD2-CD2 3.63Å; D20-I26 HydrophobicContact CB-CG1 4.24Å; D20-I26 WeakPolarHBondContact O-CD1 3.36Å; D20-I49 HydrophobicContact CB-CD1 4.48Å; D20-Y50 PolarHBondContact N-O 2.77Å; D20-S51 WeakPolarHBondContact O-CA 3.45Å; D20-P52 WeakPolarHBondContact O-CD 3.46Å
21R95.8Very high97.4Very high74 Ų7465 Ų6528%0.27934%0.341SS..SBendtrans-99.4-9.4176-72.1-172.6-174.7-917.9113.5P23 P52 E53 A76 M77 D80R21-P23 WeakPolarHBondContact O-CD 3.41Å; R21-P52 HydrophobicContact CG-CG 3.67Å; R21-E53 IonicContact NH1-OE1 3.42Å; R21-E53 PolarHBondContact NH1-OE1 3.1Å; R21-A76 VanDerWaalsContact NH2-C 3.26Å; R21-A76 PolarHBondContact NH2-O 3.49Å; R21-A76 VanDerWaalsContact NH2-O 3.08Å; R21-M77 HydrophobicContact CG-CE 4.05Å; R21-D80 IonicContact CZ-OD2 3.03Å; R21-D80 IonicContact NH1-OD2 3.61Å; R21-D80 PolarHBondContact NH1-OD2 3.43Å; R21-D80 IonicContact NH2-OD2 2.95Å; R21-D80 PolarHBondContact NH2-OD2 3.01Å
22W95.6Very high97.4Very high93 Ų9367 Ų6735%0.35235%0.348SS..  trans-85.8108.1-175.2-178.117.6000111D20 D24 H25 I26 L124 P127D20-W22 WeakPolarHBondContact OD1-CB 3.41Å; D20-W22 PolarHBondContact OD1-N 3.22Å; W22-D24 HydrophobicContact CZ2-CB 4.3Å; W22-D24 PolarHBondContact NE1-OD2 2.94Å; W22-D24 PolarHBondContact O-N 2.8Å; W22-H25 HydrophobicContact CB-CB 3.97Å; W22-H25 HydrophobicContact CD2-CB 3.71Å; W22-H25 HydrophobicContact CE3-CB 3.48Å; W22-H25 VanDerWaalsContact CE3-CB 3.48Å; W22-H25 AromaticContact CE3-CG 3.99Å; W22-H25 HydrophobicContact CG-CB 3.95Å; W22-H25 HydrophobicContact CZ3-CB 4.14Å; W22-H25 WeakPolarHBondContact O-CB 3.49Å; W22-H25 PolarHBondContact O-N 2.9Å; W22-I26 WeakPolarHBondContact O-CG1 3.35Å; W22-I26 PolarHBondContact O-N 3.32Å; W22-I26 VanDerWaalsContact O-N 3.1Å; W22-L124 HydrophobicContact CZ3-CD1 4.18Å; W22-P127 HydrophobicContact CH2-CB 4.25Å; W22-P127 HydrophobicContact CH2-CG 3.68Å; W22-P127 HydrophobicContact CZ2-CB 4.38Å; W22-P127 HydrophobicContact CZ2-CG 3.62Å
23P97.5Very high97.4Very high78 Ų7865.2 Ų65.251%0.50633%0.333SS..Hα-helixtrans-61.1-39.7-171.2-26.137.9000113.6R21 H25 I26 N27R21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-H25 VanDerWaalsContact C-N 3.27Å; P23-H25 PolarHBondContact O-N 2.65Å; P23-I26 PolarHBondContact O-N 3.15Å; P23-N27 WeakPolarHBondContact O-CB 3.41Å; P23-N27 VanDerWaalsContact O-CG 3.27Å; P23-N27 PolarHBondContact O-N 2.89Å; P23-N27 PolarHBondContact O-ND2 3.23Å
24D98.1Very high97.5Very high94 Ų9461.9 Ų61.950%0.50330%0.299SS..Hα-helixtrans-63.3-37178.7-51.3-37.9000111.3W22 A28 P127W22-D24 HydrophobicContact CZ2-CB 4.3Å; W22-D24 PolarHBondContact NE1-OD2 2.94Å; W22-D24 PolarHBondContact O-N 2.8Å; D24-A28 VanDerWaalsContact O-CB 3.22Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.31Å; D24-P127 HydrophobicContact CB-CB 4.07Å; D24-P127 HydrophobicContact CB-CG 3.88Å; D24-P127 WeakPolarHBondContact O-CB 3.37Å
25H97.8Very high97.5Very high6 Ų660.9 Ų60.93%0.02829%0.293CS..Hα-helixtrans-66.6-45.6177.8-167.171.8000111.4D20 W22 P23 A28 I29 G128D20-H25 IonicContact OD2-CD2 3.63Å; W22-H25 HydrophobicContact CB-CB 3.97Å; W22-H25 HydrophobicContact CD2-CB 3.71Å; W22-H25 HydrophobicContact CE3-CB 3.48Å; W22-H25 VanDerWaalsContact CE3-CB 3.48Å; W22-H25 AromaticContact CE3-CG 3.99Å; W22-H25 HydrophobicContact CG-CB 3.95Å; W22-H25 HydrophobicContact CZ3-CB 4.14Å; W22-H25 WeakPolarHBondContact O-CB 3.49Å; W22-H25 PolarHBondContact O-N 2.9Å; P23-H25 VanDerWaalsContact C-N 3.27Å; P23-H25 PolarHBondContact O-N 2.65Å; H25-A28 PolarHBondContact O-N 3.29Å; H25-I29 VanDerWaalsContact NE2-CD1 3.29Å; H25-I29 WeakPolarHBondContact NE2-CD1 3.11Å; H25-I29 WeakPolarHBondContact O-CG1 3.42Å; H25-I29 PolarHBondContact O-N 3.2Å; H25-G128 PolarHBondContact ND1-N 2.86Å
26I98.4Very high97.6Very high6 Ų651.5 Ų51.53%0.03125%0.25CC..Hα-helixtrans-60.2-50.3177.7-61.6165.6000110D20 W22 P23 A28 I29 R30 I49D20-I26 HydrophobicContact CB-CG1 4.24Å; D20-I26 WeakPolarHBondContact O-CD1 3.36Å; W22-I26 WeakPolarHBondContact O-CG1 3.35Å; W22-I26 PolarHBondContact O-N 3.32Å; W22-I26 VanDerWaalsContact O-N 3.1Å; P23-I26 PolarHBondContact O-N 3.15Å; I26-A28 PolarHBondContact O-N 3.35Å; I26-I29 PolarHBondContact O-N 3.18Å; I26-R30 WeakPolarHBondContact O-CG 3.27Å; I26-R30 PolarHBondContact O-N 2.9Å; I26-I49 HydrophobicContact CG1-CD1 4.22Å; I26-I49 HydrophobicContact CG1-CG1 4.32Å; I26-I49 HydrophobicContact CG2-CG1 4.4Å; I26-I49 HydrophobicContact CG2-CG2 4.22Å
27N98.4Very high97.7Very high77 Ų7753.4 Ų53.441%0.41226%0.257SS..Hα-helixtrans-63.1-44.3-179.5-69.3-22.4000111.8P23 I29 R30 E31P23-N27 WeakPolarHBondContact O-CB 3.41Å; P23-N27 VanDerWaalsContact O-CG 3.27Å; P23-N27 PolarHBondContact O-N 2.89Å; P23-N27 PolarHBondContact O-ND2 3.23Å; N27-I29 VanDerWaalsContact C-N 3.32Å; N27-I29 PolarHBondContact O-N 3.2Å; N27-R30 PolarHBondContact O-N 3.49Å; N27-E31 WeakPolarHBondContact O-CB 3.37Å; N27-E31 WeakPolarHBondContact O-CG 3.33Å; N27-E31 PolarHBondContact O-N 3.5Å
28A98.4Very high97.6Very high20 Ų2051.9 Ų51.917%0.16525%0.248CC..Hα-helixtrans-60-41.3177.500000112.4D24 H25 I26 K32 P127D24-A28 VanDerWaalsContact O-CB 3.22Å; D24-A28 WeakPolarHBondContact O-CB 3.22Å; D24-A28 PolarHBondContact O-N 3.31Å; H25-A28 PolarHBondContact O-N 3.29Å; I26-A28 PolarHBondContact O-N 3.35Å; A28-K32 WeakPolarHBondContact O-CB 3.42Å; A28-K32 PolarHBondContact O-N 3.44Å; A28-P127 HydrophobicContact CB-CB 3.78Å
29I98.5Very high97.2Very high1 Ų157.1 Ų57.11%0.00527%0.272CS..Hα-helixtrans-69-39.5177.3-68.3172.7000111.4L18 H25 I26 N27 E31 G33 L34 I49L18-I29 HydrophobicContact CD1-CD1 4.25Å; H25-I29 VanDerWaalsContact NE2-CD1 3.29Å; H25-I29 WeakPolarHBondContact NE2-CD1 3.11Å; H25-I29 WeakPolarHBondContact O-CG1 3.42Å; H25-I29 PolarHBondContact O-N 3.2Å; I26-I29 PolarHBondContact O-N 3.18Å; N27-I29 VanDerWaalsContact C-N 3.32Å; N27-I29 PolarHBondContact O-N 3.2Å; I29-E31 VanDerWaalsContact C-N 3.35Å; I29-G33 WeakPolarHBondContact O-CA 3.42Å; I29-G33 PolarHBondContact O-N 3.49Å; I29-L34 HydrophobicContact CD1-CB 4.27Å; I29-L34 HydrophobicContact CD1-CD1 3.95Å; I29-L34 HydrophobicContact CG1-CB 4.16Å; I29-L34 HydrophobicContact CG1-CD1 4.3Å; I29-L34 HydrophobicContact CG2-CB 4.27Å; I29-I49 HydrophobicContact CB-CD1 4.27Å; I29-I49 HydrophobicContact CB-CG2 4.07Å; I29-I49 HydrophobicContact CD1-CD1 3.55Å; I29-I49 HydrophobicContact CG1-CD1 4.46Å; I29-I49 HydrophobicContact CG2-CB 4.24Å; I29-I49 HydrophobicContact CG2-CD1 4.34Å; I29-I49 HydrophobicContact CG2-CG2 3.72Å
30R98.3Very high96.9Very high108 Ų10862 Ų6241%0.40830%0.299SS..Hα-helixtrans-63.4-40176.3-74174.5173.7174.7-4.7112.3I26 N27 I49 E54I26-R30 WeakPolarHBondContact O-CG 3.27Å; I26-R30 PolarHBondContact O-N 2.9Å; N27-R30 PolarHBondContact O-N 3.49Å; R30-I49 HydrophobicContact CG-CG2 3.69Å; R30-I49 PolarHBondContact NE-O 2.88Å; R30-I49 PolarHBondContact NH2-O 2.97Å; R30-E54 IonicContact CZ-OE1 3.59Å; R30-E54 IonicContact CZ-OE2 2.98Å; R30-E54 IonicContact NH1-OE1 3.15Å; R30-E54 PolarHBondContact NH1-OE1 3.31Å; R30-E54 IonicContact NH1-OE2 2.65Å; R30-E54 VanDerWaalsContact NH2-CD 3.27Å; R30-E54 IonicContact NH2-OE1 3.49Å; R30-E54 PolarHBondContact NH2-OE1 3.18Å; R30-E54 VanDerWaalsContact NH2-OE1 3.15Å; R30-E54 IonicContact NH2-OE2 3.55Å; R30-E54 PolarHBondContact NH2-OE2 2.93Å
31E98.1Very high96.8Very high146 Ų14664.1 Ų64.168%0.68231%0.307SS*.Hα-helixtrans-80.9-38.8-176.5-71.4178.1-179.300113.6N27 I29N27-E31 WeakPolarHBondContact O-CB 3.37Å; N27-E31 WeakPolarHBondContact O-CG 3.33Å; N27-E31 PolarHBondContact O-N 3.5Å; I29-E31 VanDerWaalsContact C-N 3.35Å
32K97.6Very high96.8Very high139 Ų13965.8 Ų65.860%0.60432%0.317SS*.Hα-helixtrans-123.3-5.3-167.8-58.6179.2-175.1173.90114.1A28 I44A28-K32 WeakPolarHBondContact O-CB 3.42Å; A28-K32 PolarHBondContact O-N 3.44Å; K32-I44 WeakPolarHBondContact O-CG2 3.47Å
33G98.2Very high96.9Very high0 Ų062.6 Ų62.60%031%0.308CS..  trans78.4167.4-166.300000112.6I29 A45I29-G33 WeakPolarHBondContact O-CA 3.42Å; I29-G33 PolarHBondContact O-N 3.49Å; G33-A45 CarbonylContact C-O 3.57Å; G33-A45 WeakPolarHBondContact CA-O 3.21Å
34L98.5Very high96.9Very high0 Ų063.4 Ų63.40%031%0.307CS..EExtended strand (participates in β ladder)trans-78.9119.7170.2173.263.4000109.3L7 L18 I29 I44 A45 L47L7-L34 HydrophobicContact CB-CD2 4.34Å; L18-L34 HydrophobicContact CD1-CD2 4.1Å; I29-L34 HydrophobicContact CD1-CB 4.27Å; I29-L34 HydrophobicContact CD1-CD1 3.95Å; I29-L34 HydrophobicContact CG1-CB 4.16Å; I29-L34 HydrophobicContact CG1-CD1 4.3Å; I29-L34 HydrophobicContact CG2-CB 4.27Å; L34-I44 WeakPolarHBondContact O-CA 3.31Å; L34-A45 PolarHBondContact N-O 3.14Å; L34-A45 PolarHBondContact O-N 3.03Å; L34-L47 HydrophobicContact CD2-CD1 4.05Å
35I98.4Very high96.9Very high32 Ų3259.2 Ų59.216%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-91.1118.4175.9-54.9168.6000108.7E42 V43 I44 G128 H129 A130I35-E42 VanDerWaalsContact CG2-CD 3.44Å; I35-E42 HydrophobicContact CG2-CG 3.65Å; I35-E42 WeakPolarHBondContact CG2-OE2 3.29Å; I35-V43 CarbonylContact C-O 3.56Å; I35-V43 WeakPolarHBondContact CA-O 3.36Å; I35-I44 HydrophobicContact CG1-CG1 4.21Å; I35-G128 PolarHBondContact N-O 2.82Å; I35-H129 HydrophobicContact CB-CB 4.34Å; I35-H129 WeakPolarHBondContact O-CA 3.43Å; I35-A130 PolarHBondContact O-N 3.13Å
36G98Very high96.9Very high0 Ų065.2 Ų65.20%031%0.314CS..EExtended strand (participates in β ladder)trans-109109.7172.100000111F38 E42 V43G36-F38 WeakPolarHBondContact O-CD2 3.33Å; G36-F38 PolarHBondContact O-N 3.44Å; G36-E42 WeakPolarHBondContact O-CA 3.49Å; G36-V43 PolarHBondContact N-O 2.85Å; G36-V43 PolarHBondContact O-N 2.86Å
37E97.3Very high96.8Very high61 Ų6165.4 Ų65.429%0.28532%0.315SS..EExtended strand (participates in β ladder)trans-88.797.4174.5-176.3-173.6152.500108.9H129 A130 K131 L132E37-H129 IonicContact OE2-CE1 3.75Å; E37-H129 IonicContact OE2-NE2 2.65Å; E37-H129 PolarHBondContact OE2-NE2 3.03Å; E37-A130 PolarHBondContact N-O 3.01Å; E37-K131 WeakPolarHBondContact OE2-CE 3.26Å; E37-L132 CarbonylContact O-C 3.56Å; E37-L132 WeakPolarHBondContact O-CA 3.1Å; E37-L132 PolarHBondContact O-N 3.49Å
38F94.8Very high96.6Very high28 Ų2864.9 Ų64.912%0.12332%0.315CS..  trans-84.3170.7171.3-61.3-93.4000110.1L7 M8 G36 D40 H41 V43 L132L7-F38 HydrophobicContact CD2-CE2 3.67Å; L7-F38 HydrophobicContact CD2-CZ 3.79Å; L7-F38 HydrophobicContact CG-CZ 4.45Å; M8-F38 HydrophobicContact CG-CE1 4.35Å; M8-F38 HydrophobicContact CG-CZ 4.39Å; M8-F38 HydrophobicContact SD-CE1 4.44Å; G36-F38 WeakPolarHBondContact O-CD2 3.33Å; G36-F38 PolarHBondContact O-N 3.44Å; F38-D40 VanDerWaalsContact C-N 3.3Å; F38-D40 PolarHBondContact O-N 3.5Å; F38-H41 CarbonylContact C-O 3.51Å; F38-H41 WeakPolarHBondContact CA-O 3.43Å; F38-H41 WeakPolarHBondContact CB-O 3.3Å; F38-H41 AromaticContact CD2-NE2 3.71Å; F38-H41 AromaticContact CG-CE1 3.89Å; F38-H41 PolarHBondContact N-O 2.99Å; F38-V43 HydrophobicContact CD2-CG2 4.02Å; F38-V43 HydrophobicContact CE2-CB 4.1Å; F38-V43 HydrophobicContact CE2-CG2 3.77Å; F38-L132 HydrophobicContact CD1-CB 3.98Å; F38-L132 HydrophobicContact CE1-CB 4.1Å; F38-L132 HydrophobicContact CE1-CD1 4.05Å; F38-L132 HydrophobicContact CE2-CD1 4.2Å; F38-L132 HydrophobicContact CG-CB 4.38Å; F38-L132 HydrophobicContact CZ-CD1 3.82Å
39E90Very high96.6Very high130 Ų13064.2 Ų64.261%0.60731%0.309SS*.SBendtrans-52.9-45.5-177.5-161.373.3-150.200113.1V133 G134E39-V133 WeakPolarHBondContact OE2-CB 3.44Å; E39-V133 WeakPolarHBondContact OE2-CG1 3.28Å; E39-G134 PolarHBondContact OE2-N 3.22Å
40D91Very high96.5Very high152 Ų15266.9 Ų66.981%0.81332%0.32SS*.SBendtrans-107.9-10.6-170.8-55.9-51.1000113.9F38F38-D40 VanDerWaalsContact C-N 3.3Å; F38-D40 PolarHBondContact O-N 3.5Å
41H94.5Very high96.4Very high102 Ų10262.8 Ų62.847%0.47231%0.307SS..  trans-160.9161.7-172.766.9-71.2000112.7F38F38-H41 CarbonylContact C-O 3.51Å; F38-H41 WeakPolarHBondContact CA-O 3.43Å; F38-H41 WeakPolarHBondContact CB-O 3.3Å; F38-H41 AromaticContact CD2-NE2 3.71Å; F38-H41 AromaticContact CG-CE1 3.89Å; F38-H41 PolarHBondContact N-O 2.99Å
42E96.4Very high96.3Very high108 Ų10855.9 Ų55.951%0.50528%0.275SS..EExtended strand (participates in β ladder)trans-108.5146.8171.7-172.617891.300110.4I35 G36I35-E42 VanDerWaalsContact CG2-CD 3.44Å; I35-E42 HydrophobicContact CG2-CG 3.65Å; I35-E42 WeakPolarHBondContact CG2-OE2 3.29Å; G36-E42 WeakPolarHBondContact O-CA 3.49Å
43V96.5Very high96Very high27 Ų2755.1 Ų55.116%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-128.1137.2174.4178.50000109L7 I35 G36 F38L7-V43 HydrophobicContact CD1-CG1 4.01Å; L7-V43 HydrophobicContact CD2-CB 4.29Å; L7-V43 HydrophobicContact CD2-CG1 4.4Å; I35-V43 CarbonylContact C-O 3.56Å; I35-V43 WeakPolarHBondContact CA-O 3.36Å; G36-V43 PolarHBondContact N-O 2.85Å; G36-V43 PolarHBondContact O-N 2.86Å; F38-V43 HydrophobicContact CD2-CG2 4.02Å; F38-V43 HydrophobicContact CE2-CB 4.1Å; F38-V43 HydrophobicContact CE2-CG2 3.77Å
44I97.9Very high95.9Very high94 Ų9458.7 Ų58.748%0.48229%0.29SS..EExtended strand (participates in β ladder)trans-116.2121.2170.2-52.8-177.6000108K32 L34 I35K32-I44 WeakPolarHBondContact O-CG2 3.47Å; L34-I44 WeakPolarHBondContact O-CA 3.31Å; I35-I44 HydrophobicContact CG1-CG1 4.21Å
45A98Very high95.6Very high7 Ų759.2 Ų59.26%0.05829%0.293CS..EExtended strand (participates in β ladder)trans-125.2134.4177.600000111.5L7 G33 L34 L47L7-A45 HydrophobicContact CD1-CB 3.38Å; G33-A45 CarbonylContact C-O 3.57Å; G33-A45 WeakPolarHBondContact CA-O 3.21Å; L34-A45 PolarHBondContact N-O 3.14Å; L34-A45 PolarHBondContact O-N 3.03Å; A45-L47 HydrophobicContact CB-CD1 4.49Å; A45-L47 HydrophobicContact CB-CG 4.39Å; A45-L47 PolarHBondContact O-N 3.07Å
46H97.5Very high95Very high131 Ų13161.1 Ų61.161%0.60631%0.306SS*.  trans-93.2100.5175.4-67.680.4000108.7
47L96Very high94.1Very high11 Ų1168.8 Ų68.86%0.05834%0.342CS..  trans-108.5139.7-179.4-67.1162.8000109H10 V16 L18 L34 A45 I49H10-L47 HydrophobicContact CB-CD2 3.71Å; H10-L47 VanDerWaalsContact CG-CD2 3.46Å; H10-L47 WeakPolarHBondContact ND1-CD2 3.49Å; V16-L47 HydrophobicContact CB-CD2 4.03Å; V16-L47 HydrophobicContact CG1-CD2 4.28Å; L18-L47 HydrophobicContact CD1-CB 4.04Å; L18-L47 HydrophobicContact CD1-CD1 3.82Å; L18-L47 HydrophobicContact CG-CB 4.23Å; L18-L47 HydrophobicContact CG-CD1 4.23Å; L34-L47 HydrophobicContact CD2-CD1 4.05Å; A45-L47 HydrophobicContact CB-CD1 4.49Å; A45-L47 HydrophobicContact CB-CG 4.39Å; A45-L47 PolarHBondContact O-N 3.07Å; L47-I49 PolarHBondContact O-N 2.87Å
48P95.7Very high93.1Very high65 Ų6573.3 Ų73.342%0.42237%0.368SS..  trans-54.1129.5165-22.132.3000109.8I17 L18 Y50I17-P48 HydrophobicContact CG1-CB 4.25Å; L18-P48 PolarHBondContact N-O 3.48Å; P48-Y50 HydrophobicContact CB-CE2 3.87Å
49I97.4Very high91.9Very high6 Ų674.3 Ų74.33%0.03137%0.373CS..EExtended strand (participates in β ladder)trans-136.2137.4175.9-173.7163.4000110.1L18 D20 I26 I29 R30 L47L18-I49 HydrophobicContact CB-CB 3.92Å; L18-I49 HydrophobicContact CB-CD1 3.87Å; L18-I49 HydrophobicContact CB-CG1 3.73Å; L18-I49 HydrophobicContact CD1-CD1 4.27Å; L18-I49 VanDerWaalsContact O-CA 3.28Å; L18-I49 WeakPolarHBondContact O-CA 3.39Å; D20-I49 HydrophobicContact CB-CD1 4.48Å; I26-I49 HydrophobicContact CG1-CD1 4.22Å; I26-I49 HydrophobicContact CG1-CG1 4.32Å; I26-I49 HydrophobicContact CG2-CG1 4.4Å; I26-I49 HydrophobicContact CG2-CG2 4.22Å; I29-I49 HydrophobicContact CB-CD1 4.27Å; I29-I49 HydrophobicContact CB-CG2 4.07Å; I29-I49 HydrophobicContact CD1-CD1 3.55Å; I29-I49 HydrophobicContact CG1-CD1 4.46Å; I29-I49 HydrophobicContact CG2-CB 4.24Å; I29-I49 HydrophobicContact CG2-CD1 4.34Å; I29-I49 HydrophobicContact CG2-CG2 3.72Å; R30-I49 HydrophobicContact CG-CG2 3.69Å; R30-I49 PolarHBondContact NE-O 2.88Å; R30-I49 PolarHBondContact NH2-O 2.97Å; L47-I49 PolarHBondContact O-N 2.87Å
50Y96.6Very high90.7Very high58 Ų5869.9 Ų69.923%0.22736%0.359CS..EExtended strand (participates in β ladder)trans-132.2149.7-177.9-57.5-86000111.3I17 L18 I19 D20 P48 E54 I55 H59I17-Y50 HydrophobicContact CG2-CD2 3.51Å; I17-Y50 HydrophobicContact CG2-CE2 3.64Å; L18-Y50 PolarHBondContact O-N 2.96Å; I19-Y50 WeakPolarHBondContact CA-O 3.39Å; D20-Y50 PolarHBondContact N-O 2.77Å; P48-Y50 HydrophobicContact CB-CE2 3.87Å; Y50-E54 VanDerWaalsContact CA-OE2 3.31Å; Y50-E54 WeakPolarHBondContact CA-OE2 3.46Å; Y50-E54 HydrophobicContact CD1-CB 4.2Å; Y50-I55 HydrophobicContact CD2-CD1 4.21Å; Y50-I55 HydrophobicContact CG-CD1 4.04Å; Y50-H59 AromaticContact CD1-CE1 3.59Å; Y50-H59 AromaticContact CE1-CE1 3.46Å; Y50-H59 VanDerWaalsContact CE1-CE1 3.46Å; Y50-H59 WeakPolarHBondContact CE1-CE1 3.35Å; Y50-H59 AromaticContact CE1-NE2 3.73Å
51S96.9Very high90.1Very high21 Ų2170.4 Ų70.415%0.14736%0.361CS..  trans-73153.2155.890.50000109.3D20 E53 E54D20-S51 WeakPolarHBondContact O-CA 3.45Å; S51-E53 WeakPolarHBondContact CB-OE2 3.21Å; S51-E53 PolarHBondContact O-N 2.93Å; S51-E53 PolarHBondContact OG-OE2 3.35Å; S51-E54 PolarHBondContact N-OE2 3.17Å; S51-E54 WeakPolarHBondContact O-CB 3.37Å; S51-E54 PolarHBondContact O-N 3.32Å
52P95Very high90Very high1 Ų166.9 Ų66.91%0.00635%0.347CS..G310 helixtrans-58.4-31.6-179.9-24.835.7000112.6I19 D20 R21 E54 I55 M77 D80 I81I19-P52 HydrophobicContact CG2-CB 4.46Å; I19-P52 HydrophobicContact CG2-CG 3.95Å; D20-P52 WeakPolarHBondContact O-CD 3.46Å; R21-P52 HydrophobicContact CG-CG 3.67Å; P52-E54 VanDerWaalsContact C-N 3.27Å; P52-E54 PolarHBondContact O-N 3.06Å; P52-I55 VanDerWaalsContact O-CB 3.32Å; P52-I55 WeakPolarHBondContact O-CB 3.18Å; P52-I55 WeakPolarHBondContact O-CG1 3.23Å; P52-I55 PolarHBondContact O-N 2.67Å; P52-M77 HydrophobicContact CB-SD 4.06Å; P52-M77 HydrophobicContact CG-CE 3.82Å; P52-M77 HydrophobicContact CG-SD 3.51Å; P52-M77 VanDerWaalsContact CG-SD 3.51Å; P52-D80 HydrophobicContact CB-CB 3.43Å; P52-D80 VanDerWaalsContact CB-CB 3.43Å; P52-I81 HydrophobicContact CB-CG2 4.21Å
53E92.3Very high90Very high124 Ų12467 Ų6758%0.57935%0.352SS*.G310 helixtrans-72.7-19.1179.6-5177.6-16800113.1R21 S51 I55R21-E53 IonicContact NH1-OE1 3.42Å; R21-E53 PolarHBondContact NH1-OE1 3.1Å; S51-E53 WeakPolarHBondContact CB-OE2 3.21Å; S51-E53 PolarHBondContact O-N 2.93Å; S51-E53 PolarHBondContact OG-OE2 3.35Å; E53-I55 VanDerWaalsContact C-N 3.34Å
54E94.3Very high90.1Very high74 Ų7467.8 Ų67.835%0.34635%0.354SS..G310 helixtrans-83.2-12.1173.6-67.6168.814400111.9R30 Y50 S51 P52 V56 H59R30-E54 IonicContact CZ-OE1 3.59Å; R30-E54 IonicContact CZ-OE2 2.98Å; R30-E54 IonicContact NH1-OE1 3.15Å; R30-E54 PolarHBondContact NH1-OE1 3.31Å; R30-E54 IonicContact NH1-OE2 2.65Å; R30-E54 VanDerWaalsContact NH2-CD 3.27Å; R30-E54 IonicContact NH2-OE1 3.49Å; R30-E54 PolarHBondContact NH2-OE1 3.18Å; R30-E54 VanDerWaalsContact NH2-OE1 3.15Å; R30-E54 IonicContact NH2-OE2 3.55Å; R30-E54 PolarHBondContact NH2-OE2 2.93Å; Y50-E54 VanDerWaalsContact CA-OE2 3.31Å; Y50-E54 WeakPolarHBondContact CA-OE2 3.46Å; Y50-E54 HydrophobicContact CD1-CB 4.2Å; S51-E54 PolarHBondContact N-OE2 3.17Å; S51-E54 WeakPolarHBondContact O-CB 3.37Å; S51-E54 PolarHBondContact O-N 3.32Å; P52-E54 VanDerWaalsContact C-N 3.27Å; P52-E54 PolarHBondContact O-N 3.06Å; E54-V56 PolarHBondContact O-N 3.28Å; E54-H59 PolarHBondContact O-CE1 3.42Å
55I92.4Very high90.1Very high11 Ų1164.2 Ų64.26%0.05634%0.337CS..  trans-68.3123.6-174.9-63.8-63.6000111.6I19 Y50 P52 E53 I81 P83 I84I19-I55 HydrophobicContact CD1-CD1 3.75Å; I19-I55 HydrophobicContact CD1-CG1 4.19Å; I19-I55 HydrophobicContact CG1-CD1 4.08Å; Y50-I55 HydrophobicContact CD2-CD1 4.21Å; Y50-I55 HydrophobicContact CG-CD1 4.04Å; P52-I55 VanDerWaalsContact O-CB 3.32Å; P52-I55 WeakPolarHBondContact O-CB 3.18Å; P52-I55 WeakPolarHBondContact O-CG1 3.23Å; P52-I55 PolarHBondContact O-N 2.67Å; E53-I55 VanDerWaalsContact C-N 3.34Å; I55-I81 HydrophobicContact CG1-CG2 4.25Å; I55-P83 HydrophobicContact CG2-CB 4.28Å; I55-I84 HydrophobicContact CG2-CB 4.3Å; I55-I84 HydrophobicContact CG2-CD1 4.24Å; I55-I84 HydrophobicContact CG2-CG1 3.93Å; I55-I84 HydrophobicContact CG2-CG2 3.58Å
56V87.2Confident90.1Very high73 Ų7365.6 Ų65.644%0.44234%0.344SS..  trans-124.9163.4172.4-60.40000111E54 D58 H59E54-V56 PolarHBondContact O-N 3.28Å; V56-D58 HydrophobicContact CG2-CB 4.48Å; V56-D58 PolarHBondContact O-N 3.04Å; V56-H59 VanDerWaalsContact CG2-CD2 3.43Å; V56-H59 WeakPolarHBondContact CG2-CD2 3.44Å; V56-H59 WeakPolarHBondContact CG2-NE2 3.47Å; V56-H59 PolarHBondContact N-ND1 2.82Å; V56-H59 VanDerWaalsContact O-CB 3.3Å; V56-H59 WeakPolarHBondContact O-CB 3.47Å; V56-H59 PolarHBondContact O-N 3.03Å
57E78.8Confident90.2Very high160 Ų16059.5 Ų59.575%0.74832%0.317SS*.G310 helixtrans-57-34.6-176.5-171.7172.9-176.400113.1H59 P83E57-H59 PolarHBondContact O-N 3.35Å; E57-H59 VanDerWaalsContact O-N 3.14Å; E57-P83 WeakPolarHBondContact CA-O 3.38Å
58D75.9Confident90.2Very high156 Ų15661.3 Ų61.383%0.83433%0.327SS*.G310 helixtrans-71.3-4.4179.6-72.1-23.7000114.2V56 A60V56-D58 HydrophobicContact CG2-CB 4.48Å; V56-D58 PolarHBondContact O-N 3.04Å; D58-A60 PolarHBondContact O-N 2.95Å
59H70.6Confident90.2Very high49 Ų4959.5 Ų59.523%0.22731%0.314CS..G310 helixtrans-72.3-21.7-174.5-76.2-179.9000115I17 Y50 E54 V56 E57 I84I17-H59 VanDerWaalsContact CD1-O 3.26Å; I17-H59 WeakPolarHBondContact CD1-O 3.34Å; Y50-H59 AromaticContact CD1-CE1 3.59Å; Y50-H59 AromaticContact CE1-CE1 3.46Å; Y50-H59 VanDerWaalsContact CE1-CE1 3.46Å; Y50-H59 WeakPolarHBondContact CE1-CE1 3.35Å; Y50-H59 AromaticContact CE1-NE2 3.73Å; E54-H59 PolarHBondContact O-CE1 3.42Å; V56-H59 VanDerWaalsContact CG2-CD2 3.43Å; V56-H59 WeakPolarHBondContact CG2-CD2 3.44Å; V56-H59 WeakPolarHBondContact CG2-NE2 3.47Å; V56-H59 PolarHBondContact N-ND1 2.82Å; V56-H59 VanDerWaalsContact O-CB 3.3Å; V56-H59 WeakPolarHBondContact O-CB 3.47Å; V56-H59 PolarHBondContact O-N 3.03Å; E57-H59 PolarHBondContact O-N 3.35Å; E57-H59 VanDerWaalsContact O-N 3.14Å; H59-I84 HydrophobicContact CB-CG2 4.01Å
60A64.5Low90Very high38 Ų3862 Ų6231%0.31433%0.325SS..  trans171.2157.816400000112.5I17 D58 V62I17-A60 HydrophobicContact CD1-CB 3.93Å; D58-A60 PolarHBondContact O-N 2.95Å; A60-V62 VanDerWaalsContact C-N 3.34Å; A60-V62 HydrophobicContact CB-CG2 3.84Å; A60-V62 PolarHBondContact O-N 3Å; A60-V62 VanDerWaalsContact O-N 3.1Å
61N78.2Confident89.9Confident162 Ų16259.2 Ų59.287%0.86631%0.314SS*.  trans-73.390.2152.3-75-38.9000108.6D63N61-D63 PolarHBondContact O-N 3.24Å
62V92.8Very high89.7Confident28 Ų2861 Ų6117%0.1732%0.321CS..  trans-77.5111-178.5179.50000110.5A60 V65 I84 T89A60-V62 VanDerWaalsContact C-N 3.34Å; A60-V62 HydrophobicContact CB-CG2 3.84Å; A60-V62 PolarHBondContact O-N 3Å; A60-V62 VanDerWaalsContact O-N 3.1Å; V62-V65 HydrophobicContact CG1-CG2 3.69Å; V62-I84 HydrophobicContact CG2-CB 3.95Å; V62-I84 HydrophobicContact CG2-CD1 4.13Å; V62-I84 HydrophobicContact CG2-CG1 4.46Å; V62-T89 HydrophobicContact CB-CG2 4.46Å; V62-T89 HydrophobicContact CG1-CG2 4.19Å; V62-T89 WeakPolarHBondContact O-CB 3.32Å; V62-T89 WeakPolarHBondContact O-CG2 3.25Å; V62-T89 PolarHBondContact O-OG1 2.76Å
63D96.5Very high89.7Confident112 Ų11264.9 Ų64.960%0.59934%0.339SS*.SBendtrans-70.7-39.9174.3-67.5-51.9000112.1N61 F90 F150N61-D63 PolarHBondContact O-N 3.24Å; D63-F90 PolarHBondContact O-N 3.22Å; D63-F150 HydrophobicContact CB-CE2 4.48Å; D63-F150 HydrophobicContact CB-CZ 4.15Å; D63-F150 WeakPolarHBondContact O-CZ 3.39Å
64L98.1Very high90Very high42 Ų4259 Ų5922%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-143.5126-174.4-179.866.6000112V66 F90 F92 F150 V154 F158L64-V66 HydrophobicContact CD2-CG2 3.94Å; L64-V66 HydrophobicContact CG-CG2 4.13Å; L64-F90 CarbonylContact C-O 3.54Å; L64-F90 WeakPolarHBondContact CA-O 3.4Å; L64-F90 HydrophobicContact CD1-CB 3.87Å; L64-F92 HydrophobicContact CD1-CB 3.84Å; L64-F150 HydrophobicContact CB-CE1 4.42Å; L64-F150 HydrophobicContact CB-CZ 4.44Å; L64-F150 HydrophobicContact CD1-CE1 4.29Å; L64-V154 HydrophobicContact CD1-CG2 4.5Å; L64-V154 HydrophobicContact CD2-CG1 3.89Å; L64-V154 HydrophobicContact CD2-CG2 3.97Å; L64-F158 HydrophobicContact CD2-CE2 4.18Å
65V97.9Very high90.1Very high20 Ų2058.8 Ų58.812%0.12131%0.31CS..EExtended strand (participates in β ladder)trans-99119.4165.11770000109.5V62 F78 I81 I85 T89 F90 V91 F92V62-V65 HydrophobicContact CG1-CG2 3.69Å; V65-F78 HydrophobicContact CG1-CZ 3.88Å; V65-I81 HydrophobicContact CG1-CD1 4.14Å; V65-I85 HydrophobicContact CG2-CD1 3.6Å; V65-T89 HydrophobicContact CG2-CG2 3.96Å; V65-F90 PolarHBondContact N-O 3.42Å; V65-V91 HydrophobicContact CB-CG2 4.47Å; V65-V91 CarbonylContact O-C 3.56Å; V65-V91 WeakPolarHBondContact O-CA 3.46Å; V65-F92 PolarHBondContact O-N 3.35Å
66V98.5Very high90.3Very high35 Ų3560.2 Ų60.221%0.21232%0.324CS..EExtended strand (participates in β ladder)trans-92.6103.3172.8-170.20000109.2I5 L64 L68 F92 L94 F158I5-V66 HydrophobicContact CD1-CG1 4.47Å; I5-V66 HydrophobicContact CG2-CG1 4.43Å; L64-V66 HydrophobicContact CD2-CG2 3.94Å; L64-V66 HydrophobicContact CG-CG2 4.13Å; V66-L68 HydrophobicContact CG1-CD1 3.82Å; V66-L68 HydrophobicContact CG1-CG 4.03Å; V66-L68 PolarHBondContact O-N 3.06Å; V66-F92 CarbonylContact C-O 3.57Å; V66-F92 WeakPolarHBondContact CA-O 3.35Å; V66-F92 HydrophobicContact CG1-CD1 4.05Å; V66-L94 HydrophobicContact CG1-CD1 4.16Å; V66-F158 HydrophobicContact CG2-CZ 4.18Å
67A98.2Very high90.8Very high4 Ų457.5 Ų57.53%0.03331%0.307CS..EExtended strand (participates in β ladder)trans-77.2113.4-177.500000110.9L74 F78 V91 F92 L94 L95A67-L74 HydrophobicContact CB-CD1 4Å; A67-F78 HydrophobicContact CB-CE2 4.01Å; A67-F78 HydrophobicContact CB-CZ 4.28Å; A67-V91 HydrophobicContact CB-CG1 4.34Å; A67-F92 PolarHBondContact N-O 3.47Å; A67-L94 PolarHBondContact O-N 3.33Å; A67-L95 WeakPolarHBondContact O-CD2 3.45Å
68L96.7Very high91.6Very high49 Ų4950 Ų5026%0.25727%0.271SS..  trans-134.317.8-176.5-68.7164.9000113M1 I5 V66 L94 L95M1-L68 HydrophobicContact CB-CD2 4.01Å; I5-L68 HydrophobicContact CB-CD1 4.34Å; I5-L68 HydrophobicContact CD1-CD1 3.67Å; I5-L68 HydrophobicContact CD1-CD2 4.23Å; V66-L68 HydrophobicContact CG1-CD1 3.82Å; V66-L68 HydrophobicContact CG1-CG 4.03Å; V66-L68 PolarHBondContact O-N 3.06Å; L68-L94 HydrophobicContact CD2-CB 3.66Å; L68-L94 HydrophobicContact CD2-CD1 4.08Å; L68-L95 VanDerWaalsContact CA-CD2 3.48Å
69T94.7Very high92.6Very high27 Ų2747.4 Ų47.417%0.16625%0.254CS..SBendtrans-64.4174171.157.10000111M77 L95T69-M77 HydrophobicContact CG2-CB 3.9Å; T69-M77 HydrophobicContact CG2-CE 3.78Å; T69-M77 HydrophobicContact CG2-CG 3.77Å; T69-L95 WeakPolarHBondContact O-CD2 3.32Å
70K93.2Very high93.8Very high57 Ų5747.8 Ų47.825%0.24826%0.258CS..  trans-73.6147.3160.9-69-76.4-179.5169.20109.9M72 Q73 L74 D255 E264K70-M72 HydrophobicContact CB-CE 4.02Å; K70-M72 HydrophobicContact CB-SD 3.28Å; K70-M72 WeakPolarHBondContact CB-SD 3.44Å; K70-M72 HydrophobicContact CG-SD 4.35Å; K70-M72 PolarHBondContact O-N 3.35Å; K70-M72 VanDerWaalsContact O-N 3.11Å; K70-Q73 HydrophobicContact CB-CG 4.39Å; K70-Q73 WeakPolarHBondContact O-CA 3.34Å; K70-Q73 WeakPolarHBondContact O-CB 3.2Å; K70-Q73 PolarHBondContact O-N 3.43Å; K70-L74 PolarHBondContact O-N 2.81Å; K70-D255 WeakPolarHBondContact CE-OD2 3.31Å; K70-D255 IonicContact NZ-OD2 3.75Å; K70-D255 PolarHBondContact NZ-OD2 3.02Å; K70-E264 HydrophobicContact CD-CG 4.05Å; K70-E264 IonicContact NZ-OE2 2.7Å; K70-E264 PolarHBondContact NZ-OE2 3.39Å
71S95Very high95.2Very high1 Ų146.1 Ų46.11%0.00724%0.244CC..G310 helixtrans-52.9-38.1-173.1-610000114.3Q73 L74 N96 H100S71-Q73 PolarHBondContact O-N 3.33Å; S71-L74 WeakPolarHBondContact O-CB 3.48Å; S71-L74 PolarHBondContact O-N 3.47Å; S71-N96 PolarHBondContact OG-O 3.04Å; S71-H100 WeakPolarHBondContact CB-NE2 3.41Å; S71-H100 PolarHBondContact OG-NE2 3.44Å
72M93.4Very high96Very high57 Ų5744.8 Ų44.828%0.28123%0.233SC..G310 helixtrans-69.7-14.8175.669.9-67.5-129.200115.3K70 K262 T263 Y267K70-M72 HydrophobicContact CB-CE 4.02Å; K70-M72 HydrophobicContact CB-SD 3.28Å; K70-M72 WeakPolarHBondContact CB-SD 3.44Å; K70-M72 HydrophobicContact CG-SD 4.35Å; K70-M72 PolarHBondContact O-N 3.35Å; K70-M72 VanDerWaalsContact O-N 3.11Å; M72-K262 HydrophobicContact CE-CB 3.49Å; M72-K262 VanDerWaalsContact CE-CB 3.49Å; M72-K262 WeakPolarHBondContact CE-O 3.47Å; M72-T263 WeakPolarHBondContact CE-O 3.49Å; M72-Y267 VanDerWaalsContact CA-CE2 3.45Å; M72-Y267 WeakPolarHBondContact CA-OH 3.16Å; M72-Y267 HydrophobicContact CB-CE2 3.62Å
73Q95.4Very high96Very high84 Ų8446.2 Ų46.239%0.39324%0.243SC..G310 helixtrans-98.9-7.5179.1-60.9173.7-40.300112.2K70 S71 E75 M77K70-Q73 HydrophobicContact CB-CG 4.39Å; K70-Q73 WeakPolarHBondContact O-CA 3.34Å; K70-Q73 WeakPolarHBondContact O-CB 3.2Å; K70-Q73 PolarHBondContact O-N 3.43Å; S71-Q73 PolarHBondContact O-N 3.33Å; Q73-E75 PolarHBondContact O-N 3.27Å; Q73-M77 VanDerWaalsContact O-CB 3.27Å; Q73-M77 WeakPolarHBondContact O-CB 3.42Å; Q73-M77 PolarHBondContact O-N 2.89Å
74L97.1Very high95.8Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-58.3-50.5-173.4-179.564.4000112A67 K70 S71 M77 F78 L95 H100 T103 L104A67-L74 HydrophobicContact CB-CD1 4Å; K70-L74 PolarHBondContact O-N 2.81Å; S71-L74 WeakPolarHBondContact O-CB 3.48Å; S71-L74 PolarHBondContact O-N 3.47Å; L74-M77 PolarHBondContact O-N 3.33Å; L74-F78 HydrophobicContact CD1-CD2 3.58Å; L74-F78 HydrophobicContact CD1-CE2 3.45Å; L74-F78 VanDerWaalsContact CD1-CE2 3.45Å; L74-F78 HydrophobicContact CG-CD2 4.32Å; L74-F78 WeakPolarHBondContact O-CD2 3.19Å; L74-F78 PolarHBondContact O-N 3Å; L74-L95 HydrophobicContact CB-CD1 4.09Å; L74-L95 HydrophobicContact CD1-CD1 3.97Å; L74-L95 HydrophobicContact CD2-CD1 4.06Å; L74-L95 HydrophobicContact CG-CD1 4.27Å; L74-H100 HydrophobicContact CD2-CB 4.01Å; L74-T103 HydrophobicContact CB-CG2 4.39Å; L74-T103 HydrophobicContact CD2-CG2 3.88Å; L74-T103 HydrophobicContact CG-CG2 3.96Å; L74-L104 HydrophobicContact CD1-CD2 3.99Å; L74-L104 HydrophobicContact CD2-CD2 4.13Å; L74-L104 HydrophobicContact CD2-CG 4.07Å; L74-L104 HydrophobicContact CG-CD2 4.28Å
75E97.1Very high95.6Very high69 Ų6940.8 Ų40.832%0.32221%0.213SC..Hα-helixtrans-63.5-50-176.6-171158.5175.100112.2Q73 M77 F78 Q79 T103 K106 F107Q73-E75 PolarHBondContact O-N 3.27Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 3.42Å; E75-F78 PolarHBondContact O-N 3.15Å; E75-Q79 WeakPolarHBondContact O-CG 3.32Å; E75-Q79 PolarHBondContact O-N 3.34Å; E75-T103 HydrophobicContact CB-CG2 3.72Å; E75-T103 HydrophobicContact CG-CG2 4.26Å; E75-K106 IonicContact OE1-NZ 3.18Å; E75-K106 PolarHBondContact OE1-NZ 2.72Å; E75-K106 IonicContact OE2-NZ 2.77Å; E75-K106 PolarHBondContact OE2-NZ 3.4Å; E75-F107 HydrophobicContact CG-CE2 4.2Å; E75-F107 HydrophobicContact CG-CZ 3.97Å
76A96.7Very high95.3Very high42 Ų4241.8 Ų41.835%0.34723%0.227SC..Hα-helixtrans-63.2-37.9178.700000112.1R21 Q79 D80R21-A76 VanDerWaalsContact NH2-C 3.26Å; R21-A76 PolarHBondContact NH2-O 3.49Å; R21-A76 VanDerWaalsContact NH2-O 3.08Å; A76-Q79 PolarHBondContact O-N 2.85Å; A76-D80 PolarHBondContact O-N 3.1Å; A76-D80 VanDerWaalsContact O-N 3.17Å
77M97.3Very high94.9Very high15 Ų1549.7 Ų49.77%0.07426%0.259CS..Hα-helixtrans-59.7-48.3173.2-179.263.178.500111.1I19 R21 P52 T69 Q73 L74 E75 Q79 D80 I81I19-M77 HydrophobicContact CG2-CE 4.46Å; I19-M77 HydrophobicContact CG2-SD 4.04Å; R21-M77 HydrophobicContact CG-CE 4.05Å; P52-M77 HydrophobicContact CB-SD 4.06Å; P52-M77 HydrophobicContact CG-CE 3.82Å; P52-M77 HydrophobicContact CG-SD 3.51Å; P52-M77 VanDerWaalsContact CG-SD 3.51Å; T69-M77 HydrophobicContact CG2-CB 3.9Å; T69-M77 HydrophobicContact CG2-CE 3.78Å; T69-M77 HydrophobicContact CG2-CG 3.77Å; Q73-M77 VanDerWaalsContact O-CB 3.27Å; Q73-M77 WeakPolarHBondContact O-CB 3.42Å; Q73-M77 PolarHBondContact O-N 2.89Å; L74-M77 PolarHBondContact O-N 3.33Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 3.42Å; M77-Q79 VanDerWaalsContact C-N 3.31Å; M77-Q79 PolarHBondContact O-N 2.88Å; M77-D80 PolarHBondContact O-N 2.88Å; M77-I81 HydrophobicContact CG-CG2 4.42Å; M77-I81 WeakPolarHBondContact O-CG1 3.41Å; M77-I81 WeakPolarHBondContact O-CG2 3.32Å; M77-I81 PolarHBondContact O-N 2.81Å; M77-I81 HydrophobicContact SD-CG2 3.79Å
78F96.2Very high94.6Very high2 Ų254 Ų541%0.00929%0.289CS..Hα-helixtrans-69.2-26.7-178.5-90.1-100.8000114V65 A67 L74 E75 Q82 I85 V91 L104 F107V65-F78 HydrophobicContact CG1-CZ 3.88Å; A67-F78 HydrophobicContact CB-CE2 4.01Å; A67-F78 HydrophobicContact CB-CZ 4.28Å; L74-F78 HydrophobicContact CD1-CD2 3.58Å; L74-F78 HydrophobicContact CD1-CE2 3.45Å; L74-F78 VanDerWaalsContact CD1-CE2 3.45Å; L74-F78 HydrophobicContact CG-CD2 4.32Å; L74-F78 WeakPolarHBondContact O-CD2 3.19Å; L74-F78 PolarHBondContact O-N 3Å; E75-F78 PolarHBondContact O-N 3.15Å; F78-Q82 PolarHBondContact O-N 3.3Å; F78-I85 HydrophobicContact CE1-CD1 4.39Å; F78-V91 HydrophobicContact CE1-CB 4.48Å; F78-V91 HydrophobicContact CE1-CG1 4.03Å; F78-V91 HydrophobicContact CE1-CG2 3.59Å; F78-V91 HydrophobicContact CZ-CB 4.43Å; F78-V91 HydrophobicContact CZ-CG1 3.55Å; F78-V91 HydrophobicContact CZ-CG2 3.97Å; F78-L104 HydrophobicContact CD1-CD2 4.21Å; F78-L104 HydrophobicContact CD2-CD2 4.19Å; F78-L104 HydrophobicContact CE1-CD2 3.89Å; F78-L104 HydrophobicContact CE2-CD2 3.85Å; F78-L104 HydrophobicContact CG-CD2 4.35Å; F78-L104 HydrophobicContact CZ-CD2 3.7Å; F78-F107 HydrophobicContact CB-CD1 3.82Å; F78-F107 HydrophobicContact CB-CD2 3.58Å; F78-F107 HydrophobicContact CB-CE1 3.82Å; F78-F107 HydrophobicContact CB-CE2 3.58Å; F78-F107 HydrophobicContact CB-CG 3.7Å; F78-F107 HydrophobicContact CB-CZ 3.7Å; F78-F107 HydrophobicContact CD1-CB 3.96Å; F78-F107 HydrophobicContact CD1-CD2 4.19Å; F78-F107 HydrophobicContact CD1-CG 4.04Å; F78-F107 HydrophobicContact CG-CD2 4.13Å; F78-F107 HydrophobicContact CG-CE2 4.48Å; F78-F107 HydrophobicContact CG-CG 4.29Å
79Q96.3Very high94.6Very high102 Ų10252 Ų5248%0.47728%0.278SS..Hα-helixtrans-64.1-47.4168.5-73.2170.5-1400111.3E75 A76 M77 Q82 F107E75-Q79 WeakPolarHBondContact O-CG 3.32Å; E75-Q79 PolarHBondContact O-N 3.34Å; A76-Q79 PolarHBondContact O-N 2.85Å; M77-Q79 VanDerWaalsContact C-N 3.31Å; M77-Q79 PolarHBondContact O-N 2.88Å; Q79-Q82 WeakPolarHBondContact O-CB 3.43Å; Q79-Q82 PolarHBondContact O-N 3.31Å; Q79-F107 HydrophobicContact CB-CE1 4.46Å; Q79-F107 HydrophobicContact CG-CE1 3.74Å; Q79-F107 HydrophobicContact CG-CZ 3.82Å
80D95.5Very high94.8Very high58 Ų5851.7 Ų51.731%0.3128%0.275SS..Hα-helixtrans-73-37.7-175.5-67.2-10.6000112.4R21 P52 A76 M77 Q82 P83R21-D80 IonicContact CZ-OD2 3.03Å; R21-D80 IonicContact NH1-OD2 3.61Å; R21-D80 PolarHBondContact NH1-OD2 3.43Å; R21-D80 IonicContact NH2-OD2 2.95Å; R21-D80 PolarHBondContact NH2-OD2 3.01Å; P52-D80 HydrophobicContact CB-CB 3.43Å; P52-D80 VanDerWaalsContact CB-CB 3.43Å; A76-D80 PolarHBondContact O-N 3.1Å; A76-D80 VanDerWaalsContact O-N 3.17Å; M77-D80 PolarHBondContact O-N 2.88Å; D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 3.23Å; D80-P83 VanDerWaalsContact O-CD 3.31Å; D80-P83 WeakPolarHBondContact O-CD 3.42Å
81I95.2Very high95.1Very high3 Ų349 Ų492%0.01526%0.263CS..THydrogen-bonded Turntrans-85.36.8179.675.5173.8000113.4I19 P52 I55 V65 M77 P83 I84 I85I19-I81 HydrophobicContact CD1-CB 4.48Å; I19-I81 HydrophobicContact CD1-CG2 3.9Å; I19-I81 HydrophobicContact CG2-CG2 4.06Å; P52-I81 HydrophobicContact CB-CG2 4.21Å; I55-I81 HydrophobicContact CG1-CG2 4.25Å; V65-I81 HydrophobicContact CG1-CD1 4.14Å; M77-I81 HydrophobicContact CG-CG2 4.42Å; M77-I81 WeakPolarHBondContact O-CG1 3.41Å; M77-I81 WeakPolarHBondContact O-CG2 3.32Å; M77-I81 PolarHBondContact O-N 2.81Å; M77-I81 HydrophobicContact SD-CG2 3.79Å; I81-P83 WeakPolarHBondContact O-CD 3.36Å; I81-P83 VanDerWaalsContact O-N 3.08Å; I81-I84 HydrophobicContact CB-CD1 4.22Å; I81-I84 HydrophobicContact CB-CG1 4.16Å; I81-I84 WeakPolarHBondContact O-CG1 3.43Å; I81-I84 PolarHBondContact O-N 3.03Å; I81-I84 VanDerWaalsContact O-N 3.09Å; I81-I85 HydrophobicContact CD1-CD1 4.18Å; I81-I85 HydrophobicContact CG1-CD1 4.31Å; I81-I85 HydrophobicContact CG1-CG1 4.32Å
82Q93.3Very high95.2Very high134 Ų13448.9 Ų48.963%0.62626%0.263SS*.G310 helixtrans-47.8-37178.8-165.2-159.7-15.900114F78 Q79 D80 I84 I85F78-Q82 PolarHBondContact O-N 3.3Å; Q79-Q82 WeakPolarHBondContact O-CB 3.43Å; Q79-Q82 PolarHBondContact O-N 3.31Å; D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 3.23Å; Q82-I84 PolarHBondContact O-N 3.18Å; Q82-I84 VanDerWaalsContact O-N 3.07Å; Q82-I85 PolarHBondContact O-N 3.2Å
83P93.6Very high95.5Very high58 Ų5846.3 Ų46.338%0.37725%0.25SC..G310 helixtrans-57.4-24.8-179.3-27.336.4000115.3I55 E57 D80 I81I55-P83 HydrophobicContact CG2-CB 4.28Å; E57-P83 WeakPolarHBondContact CA-O 3.38Å; D80-P83 VanDerWaalsContact O-CD 3.31Å; D80-P83 WeakPolarHBondContact O-CD 3.42Å; I81-P83 WeakPolarHBondContact O-CD 3.36Å; I81-P83 VanDerWaalsContact O-N 3.08Å
84I93.4Very high95.6Very high13 Ų1342.6 Ų42.67%0.06723%0.233CC..G310 helixtrans-100-0.6177.959.3167.6000113.5I19 I55 H59 V62 I81 Q82 G86I19-I84 HydrophobicContact CD1-CD1 3.64Å; I55-I84 HydrophobicContact CG2-CB 4.3Å; I55-I84 HydrophobicContact CG2-CD1 4.24Å; I55-I84 HydrophobicContact CG2-CG1 3.93Å; I55-I84 HydrophobicContact CG2-CG2 3.58Å; H59-I84 HydrophobicContact CB-CG2 4.01Å; V62-I84 HydrophobicContact CG2-CB 3.95Å; V62-I84 HydrophobicContact CG2-CD1 4.13Å; V62-I84 HydrophobicContact CG2-CG1 4.46Å; I81-I84 HydrophobicContact CB-CD1 4.22Å; I81-I84 HydrophobicContact CB-CG1 4.16Å; I81-I84 WeakPolarHBondContact O-CG1 3.43Å; I81-I84 PolarHBondContact O-N 3.03Å; I81-I84 VanDerWaalsContact O-N 3.09Å; Q82-I84 PolarHBondContact O-N 3.18Å; Q82-I84 VanDerWaalsContact O-N 3.07Å; I84-G86 PolarHBondContact O-N 3.41Å
85I93.3Very high95.5Very high27 Ų2743.4 Ų43.414%0.13824%0.237CC..  trans-90.593.3178.6-54-58.8000109.3V65 F78 I81 Q82 T89 V108V65-I85 HydrophobicContact CG2-CD1 3.6Å; F78-I85 HydrophobicContact CE1-CD1 4.39Å; I81-I85 HydrophobicContact CD1-CD1 4.18Å; I81-I85 HydrophobicContact CG1-CD1 4.31Å; I81-I85 HydrophobicContact CG1-CG1 4.32Å; Q82-I85 PolarHBondContact O-N 3.2Å; I85-T89 HydrophobicContact CD1-CG2 4.05Å; I85-V108 HydrophobicContact CG2-CG1 3.51Å
86G91Very high95.4Very high40 Ų4041.9 Ų41.941%0.41223%0.231SC..  trans-84.9171.9175.600000113.4I84 S88 T89I84-G86 PolarHBondContact O-N 3.41Å; G86-S88 PolarHBondContact O-N 2.84Å; G86-S88 VanDerWaalsContact O-N 3.14Å; G86-T89 PolarHBondContact N-OG1 3.43Å; G86-T89 WeakPolarHBondContact O-CB 3.28Å; G86-T89 PolarHBondContact O-N 3.06Å; G86-T89 PolarHBondContact O-OG1 3.19Å
87K90.9Very high95.4Very high202 Ų20240.1 Ų40.188%0.87822%0.217SC*.THydrogen-bonded Turntrans-60.2-25.6178.1-67.8-179.1179.4175.90114.1N112K87-N112 PolarHBondContact O-ND2 2.96Å
88S92.3Very high95.4Very high95 Ų9539.8 Ų39.866%0.66422%0.215SC*.THydrogen-bonded Turntrans-100.90.4180-54.30000113G86 F90G86-S88 PolarHBondContact O-N 2.84Å; G86-S88 VanDerWaalsContact O-N 3.14Å; S88-F90 WeakPolarHBondContact O-CD2 3.25Å; S88-F90 PolarHBondContact O-N 3.16Å
89T96.5Very high95.3Very high5 Ų541.1 Ų41.13%0.03123%0.23CC..  trans-73124.2-179.7-59.10000109.7V62 V65 I85 G86 N112V62-T89 HydrophobicContact CB-CG2 4.46Å; V62-T89 HydrophobicContact CG1-CG2 4.19Å; V62-T89 WeakPolarHBondContact O-CB 3.32Å; V62-T89 WeakPolarHBondContact O-CG2 3.25Å; V62-T89 PolarHBondContact O-OG1 2.76Å; V65-T89 HydrophobicContact CG2-CG2 3.96Å; I85-T89 HydrophobicContact CD1-CG2 4.05Å; G86-T89 PolarHBondContact N-OG1 3.43Å; G86-T89 WeakPolarHBondContact O-CB 3.28Å; G86-T89 PolarHBondContact O-N 3.06Å; G86-T89 PolarHBondContact O-OG1 3.19Å; T89-N112 WeakPolarHBondContact O-CB 3.37Å; T89-N112 PolarHBondContact O-ND2 3.38Å
90F98.4Very high95.3Very high21 Ų2136.7 Ų36.79%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-89.3153.8170.2-83.1-111.6000110.7D63 L64 V65 S88 E111 N112 I114 F150D63-F90 PolarHBondContact O-N 3.22Å; L64-F90 CarbonylContact C-O 3.54Å; L64-F90 WeakPolarHBondContact CA-O 3.4Å; L64-F90 HydrophobicContact CD1-CB 3.87Å; V65-F90 PolarHBondContact N-O 3.42Å; S88-F90 WeakPolarHBondContact O-CD2 3.25Å; S88-F90 PolarHBondContact O-N 3.16Å; F90-E111 WeakPolarHBondContact CE1-O 3.38Å; F90-E111 WeakPolarHBondContact CZ-O 3.21Å; F90-N112 CarbonylContact C-O 3.54Å; F90-N112 VanDerWaalsContact CA-O 3.23Å; F90-N112 WeakPolarHBondContact CA-O 3.37Å; F90-N112 HydrophobicContact CD1-CB 4.42Å; F90-N112 WeakPolarHBondContact CD1-O 3.09Å; F90-N112 HydrophobicContact CD2-CB 4.41Å; F90-N112 HydrophobicContact CG-CB 4.33Å; F90-I114 HydrophobicContact CD1-CD1 4.07Å; F90-I114 HydrophobicContact CD1-CG1 4.07Å; F90-F150 HydrophobicContact CB-CD1 3.76Å; F90-F150 HydrophobicContact CB-CE1 3.46Å; F90-F150 VanDerWaalsContact CB-CE1 3.46Å; F90-F150 HydrophobicContact CB-CZ 4.15Å; F90-F150 HydrophobicContact CD1-CB 4.15Å; F90-F150 AromaticContact CD1-CD1 3.46Å; F90-F150 HydrophobicContact CD1-CD1 3.46Å; F90-F150 VanDerWaalsContact CD1-CD1 3.46Å; F90-F150 HydrophobicContact CD1-CE1 4.12Å; F90-F150 AromaticContact CD1-CG 3.99Å; F90-F150 HydrophobicContact CD1-CG 3.99Å; F90-F150 HydrophobicContact CD2-CB 4.26Å; F90-F150 AromaticContact CD2-CD1 3.6Å; F90-F150 HydrophobicContact CD2-CD1 3.6Å; F90-F150 AromaticContact CD2-CD2 3.96Å; F90-F150 HydrophobicContact CD2-CD2 3.96Å; F90-F150 AromaticContact CD2-CE1 3.85Å; F90-F150 HydrophobicContact CD2-CE1 3.85Å; F90-F150 HydrophobicContact CD2-CE2 4.18Å; F90-F150 AromaticContact CD2-CG 3.66Å; F90-F150 HydrophobicContact CD2-CG 3.66Å; F90-F150 HydrophobicContact CD2-CZ 4.12Å; F90-F150 HydrophobicContact CE1-CB 3.67Å; F90-F150 AromaticContact CE1-CD1 3.92Å; F90-F150 HydrophobicContact CE1-CD1 3.92Å; F90-F150 AromaticContact CE1-CG 3.99Å; F90-F150 HydrophobicContact CE1-CG 3.99Å; F90-F150 HydrophobicContact CE2-CB 3.83Å; F90-F150 HydrophobicContact CE2-CD1 4.07Å; F90-F150 HydrophobicContact CE2-CD2 4.02Å; F90-F150 AromaticContact CE2-CG 3.7Å; F90-F150 HydrophobicContact CE2-CG 3.7Å; F90-F150 HydrophobicContact CG-CB 4.43Å; F90-F150 AromaticContact CG-CD1 3.29Å; F90-F150 HydrophobicContact CG-CD1 3.29Å; F90-F150 HydrophobicContact CG-CD2 4.5Å; F90-F150 AromaticContact CG-CE1 3.53Å; F90-F150 HydrophobicContact CG-CE1 3.53Å; F90-F150 AromaticContact CG-CG 3.84Å; F90-F150 HydrophobicContact CG-CG 3.84Å; F90-F150 HydrophobicContact CG-CZ 4.23Å; F90-F150 HydrophobicContact CZ-CB 3.52Å; F90-F150 HydrophobicContact CZ-CD1 4.22Å; F90-F150 AromaticContact CZ-CG 3.87Å; F90-F150 HydrophobicContact CZ-CG 3.87Å
91V98.5Very high95.3Very high0 Ų036.3 Ų36.30%021%0.206CC..EExtended strand (participates in β ladder)trans-121.1124.5173.2-179.80000108.9V65 A67 F78 L104 V108 N112 I114V65-V91 HydrophobicContact CB-CG2 4.47Å; V65-V91 CarbonylContact O-C 3.56Å; V65-V91 WeakPolarHBondContact O-CA 3.46Å; A67-V91 HydrophobicContact CB-CG1 4.34Å; F78-V91 HydrophobicContact CE1-CB 4.48Å; F78-V91 HydrophobicContact CE1-CG1 4.03Å; F78-V91 HydrophobicContact CE1-CG2 3.59Å; F78-V91 HydrophobicContact CZ-CB 4.43Å; F78-V91 HydrophobicContact CZ-CG1 3.55Å; F78-V91 HydrophobicContact CZ-CG2 3.97Å; V91-L104 HydrophobicContact CG1-CD1 4.05Å; V91-L104 HydrophobicContact CG1-CD2 3.87Å; V91-V108 HydrophobicContact CB-CG2 4.31Å; V91-V108 HydrophobicContact CG2-CB 4.42Å; V91-V108 HydrophobicContact CG2-CG1 3.85Å; V91-V108 HydrophobicContact CG2-CG2 3.76Å; V91-N112 PolarHBondContact N-O 2.92Å; V91-I114 PolarHBondContact O-N 2.98Å
92F98.7Very high95.3Very high0 Ų043.2 Ų43.20%024%0.238CC..EExtended strand (participates in β ladder)trans-105.2108.7171179.7-148.1000111L64 V65 V66 A67 L94 I114 I138 M140 F158L64-F92 HydrophobicContact CD1-CB 3.84Å; V65-F92 PolarHBondContact O-N 3.35Å; V66-F92 CarbonylContact C-O 3.57Å; V66-F92 WeakPolarHBondContact CA-O 3.35Å; V66-F92 HydrophobicContact CG1-CD1 4.05Å; A67-F92 PolarHBondContact N-O 3.47Å; F92-L94 HydrophobicContact CD1-CD1 4.15Å; F92-L94 HydrophobicContact CD1-CG 4.2Å; F92-L94 HydrophobicContact CE1-CD1 3.6Å; F92-L94 HydrophobicContact CE1-CD2 3.95Å; F92-L94 HydrophobicContact CE1-CG 3.71Å; F92-L94 HydrophobicContact CE2-CD2 3.9Å; F92-L94 HydrophobicContact CE2-CG 4.07Å; F92-L94 HydrophobicContact CZ-CD1 4Å; F92-L94 HydrophobicContact CZ-CD2 3.41Å; F92-L94 VanDerWaalsContact CZ-CD2 3.41Å; F92-L94 HydrophobicContact CZ-CG 3.64Å; F92-I114 WeakPolarHBondContact CA-O 3.48Å; F92-I114 HydrophobicContact CB-CB 4.24Å; F92-I114 HydrophobicContact CD2-CB 3.8Å; F92-I114 HydrophobicContact CD2-CG2 3.53Å; F92-I114 HydrophobicContact CE2-CG2 3.88Å; F92-I114 HydrophobicContact CG-CB 4.39Å; F92-I114 HydrophobicContact CG-CG2 4.32Å; F92-I138 HydrophobicContact CE1-CG2 3.79Å; F92-I138 HydrophobicContact CZ-CG2 3.5Å; F92-I138 VanDerWaalsContact CZ-CG2 3.5Å; F92-M140 HydrophobicContact CE1-CE 3.88Å; F92-M140 HydrophobicContact CE2-CB 3.6Å; F92-M140 HydrophobicContact CZ-CB 3.67Å; F92-M140 HydrophobicContact CZ-CE 3.84Å; F92-M140 HydrophobicContact CZ-SD 4.5Å; F92-F158 HydrophobicContact CD1-CE1 4.1Å; F92-F158 AromaticContact CD1-CZ 3.89Å; F92-F158 HydrophobicContact CD1-CZ 3.89Å; F92-F158 AromaticContact CE1-CE1 3.7Å; F92-F158 HydrophobicContact CE1-CE1 3.7Å; F92-F158 AromaticContact CE1-CZ 3.98Å; F92-F158 HydrophobicContact CE1-CZ 3.98Å
93C98.3Very high95.5Very high2 Ų237.6 Ų37.61%0.01421%0.212CC..EExtended strand (participates in β ladder)trans-93.3118.3-179-172.50000111.5L104 I114 F115 G116C93-L104 HydrophobicContact CB-CD1 3.63Å; C93-I114 PolarHBondContact N-O 2.96Å; C93-F115 HydrophobicContact CB-CD1 3.72Å; C93-F115 HydrophobicContact CB-CE1 3.67Å; C93-G116 PolarHBondContact O-N 3.44Å
94L97.4Very high95.7Very high7 Ų734.8 Ų34.84%0.03719%0.194CC..  trans-113.616176.9-78176.2000113I5 V66 A67 L68 F92 I138I5-L94 HydrophobicContact CD1-CD1 3.63Å; V66-L94 HydrophobicContact CG1-CD1 4.16Å; A67-L94 PolarHBondContact O-N 3.33Å; L68-L94 HydrophobicContact CD2-CB 3.66Å; L68-L94 HydrophobicContact CD2-CD1 4.08Å; F92-L94 HydrophobicContact CD1-CD1 4.15Å; F92-L94 HydrophobicContact CD1-CG 4.2Å; F92-L94 HydrophobicContact CE1-CD1 3.6Å; F92-L94 HydrophobicContact CE1-CD2 3.95Å; F92-L94 HydrophobicContact CE1-CG 3.71Å; F92-L94 HydrophobicContact CE2-CD2 3.9Å; F92-L94 HydrophobicContact CE2-CG 4.07Å; F92-L94 HydrophobicContact CZ-CD1 4Å; F92-L94 HydrophobicContact CZ-CD2 3.41Å; F92-L94 VanDerWaalsContact CZ-CD2 3.41Å; F92-L94 HydrophobicContact CZ-CG 3.64Å; L94-I138 HydrophobicContact CD1-CD1 4.33Å; L94-I138 HydrophobicContact CD1-CG2 4.48Å; L94-I138 HydrophobicContact CD2-CG2 3.99Å
95L96.8Very high95.8Very high17 Ų1736.4 Ų36.49%0.08921%0.207CC..  trans-71.8149.6-173-57.8-161.4000112.4A67 L68 T69 L74A67-L95 WeakPolarHBondContact O-CD2 3.45Å; L68-L95 VanDerWaalsContact CA-CD2 3.48Å; T69-L95 WeakPolarHBondContact O-CD2 3.32Å; L74-L95 HydrophobicContact CB-CD1 4.09Å; L74-L95 HydrophobicContact CD1-CD1 3.97Å; L74-L95 HydrophobicContact CD2-CD1 4.06Å; L74-L95 HydrophobicContact CG-CD1 4.27Å
96N93.8Very high96Very high37 Ų3740.5 Ų40.520%0.19822%0.223CC..SBendtrans-81.3138.7172.7-62-45.4000110.3S71 H100 K178S71-N96 PolarHBondContact OG-O 3.04Å; N96-H100 PolarHBondContact O-CE1 2.97Å; N96-K178 WeakPolarHBondContact OD1-CE 3.49Å; N96-K178 PolarHBondContact OD1-NZ 3.46Å
97G96.2Very high96.3Very high4 Ų440.9 Ų40.94%0.04121%0.214CC..SBendtrans111.5-164.2178.300000112.6H100 Y267G97-H100 VanDerWaalsContact C-CE1 3.47Å; G97-H100 PolarHBondContact O-CE1 2.99Å; G97-Y267 CarbonylContact C-O 3.46Å; G97-Y267 WeakPolarHBondContact CA-O 3.37Å
98L97.2Very high96.6Very high8 Ų831.6 Ų31.64%0.04217%0.174CC..SBendtrans-127.8161.4-170.3-56174.7000109.8I175 W176 A179 Y267 A271 V272L98-I175 HydrophobicContact CD2-CG2 3.84Å; L98-W176 HydrophobicContact CD1-CD2 4.35Å; L98-W176 HydrophobicContact CD1-CE3 4.03Å; L98-W176 HydrophobicContact CD1-CH2 3.63Å; L98-W176 HydrophobicContact CD1-CZ2 3.95Å; L98-W176 HydrophobicContact CD1-CZ3 3.68Å; L98-W176 HydrophobicContact CD2-CD2 4.02Å; L98-W176 HydrophobicContact CD2-CE3 4.42Å; L98-W176 HydrophobicContact CD2-CG 4.31Å; L98-W176 HydrophobicContact CD2-CZ2 4.37Å; L98-A179 HydrophobicContact CD1-CB 4.34Å; L98-A179 HydrophobicContact CD2-CB 3.82Å; L98-A179 HydrophobicContact CG-CB 3.94Å; L98-Y267 PolarHBondContact N-O 3.46Å; L98-A271 HydrophobicContact CB-CB 3.93Å; L98-A271 HydrophobicContact CD1-CB 4.3Å; L98-V272 HydrophobicContact CD1-CG2 3.94Å
99G94.8Very high96.8Very high31 Ų3130 Ų3032%0.3216%0.162SC..  trans87.8-1173.700000115.5E101 E102 T103G99-E101 PolarHBondContact O-N 3.02Å; G99-E102 PolarHBondContact O-N 2.84Å; G99-E102 VanDerWaalsContact O-N 3.16Å; G99-T103 PolarHBondContact O-N 3.23Å
100H96.7Very high96.8Very high9 Ų934.8 Ų34.84%0.04218%0.182CC..Hα-helixtrans-64.5-23.6-179.4-47.6112000113.6S71 L74 N96 G97 E102 T103 L104 F115S71-H100 WeakPolarHBondContact CB-NE2 3.41Å; S71-H100 PolarHBondContact OG-NE2 3.44Å; L74-H100 HydrophobicContact CD2-CB 4.01Å; N96-H100 PolarHBondContact O-CE1 2.97Å; G97-H100 VanDerWaalsContact C-CE1 3.47Å; G97-H100 PolarHBondContact O-CE1 2.99Å; H100-E102 VanDerWaalsContact C-N 3.34Å; H100-T103 PolarHBondContact O-N 3.47Å; H100-L104 WeakPolarHBondContact O-CB 3.32Å; H100-L104 VanDerWaalsContact O-CG 3.31Å; H100-L104 WeakPolarHBondContact O-CG 3.37Å; H100-L104 PolarHBondContact O-N 3.18Å; H100-F115 HydrophobicContact CB-CE1 4.14Å
101E95.4Very high96.8Very high50 Ų5037.1 Ų37.123%0.23419%0.193CC..Hα-helixtrans-58.3-45.2172.9-176.2178.3152.700111.7G99 S105 K110 F115 L143 R172G99-E101 PolarHBondContact O-N 3.02Å; E101-S105 VanDerWaalsContact O-CB 3.25Å; E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 2.8Å; E101-S105 PolarHBondContact O-OG 3.36Å; E101-K110 IonicContact OE1-NZ 2.98Å; E101-K110 PolarHBondContact OE1-NZ 2.82Å; E101-F115 HydrophobicContact CB-CE2 3.86Å; E101-F115 HydrophobicContact CB-CZ 3.72Å; E101-F115 HydrophobicContact CG-CE2 4.18Å; E101-F115 HydrophobicContact CG-CZ 4.41Å; E101-L143 HydrophobicContact CG-CD1 4.4Å; E101-L143 HydrophobicContact CG-CD2 3.79Å; E101-L143 WeakPolarHBondContact OE2-CD1 3.41Å; E101-R172 IonicContact OE2-NH2 2.7Å; E101-R172 PolarHBondContact OE2-NH2 3.27Å
102E95Very high96.8Very high148 Ų14837.7 Ų37.769%0.69220%0.196SC*.Hα-helixtrans-64.8-43.3179-174-178.3169.200111G99 H100G99-E102 PolarHBondContact O-N 2.84Å; G99-E102 VanDerWaalsContact O-N 3.16Å; H100-E102 VanDerWaalsContact C-N 3.34Å
103T96.9Very high96.8Very high15 Ų1537.7 Ų37.79%0.09220%0.196CC..Hα-helixtrans-64.1-50.1177.6-53.40000111.9L74 E75 G99 H100 S105 K106 F107L74-T103 HydrophobicContact CB-CG2 4.39Å; L74-T103 HydrophobicContact CD2-CG2 3.88Å; L74-T103 HydrophobicContact CG-CG2 3.96Å; E75-T103 HydrophobicContact CB-CG2 3.72Å; E75-T103 HydrophobicContact CG-CG2 4.26Å; G99-T103 PolarHBondContact O-N 3.23Å; H100-T103 PolarHBondContact O-N 3.47Å; T103-S105 PolarHBondContact O-N 2.83Å; T103-K106 WeakPolarHBondContact O-CB 3.48Å; T103-K106 PolarHBondContact O-N 2.94Å; T103-F107 HydrophobicContact CG2-CE2 4.41Å; T103-F107 VanDerWaalsContact O-CD2 3.27Å; T103-F107 WeakPolarHBondContact O-CD2 3.45Å; T103-F107 WeakPolarHBondContact O-CE2 3.35Å
104L97.9Very high96.8Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-70-31.7-175.1-71174000113L74 F78 V91 C93 H100 K106 F107 V108 I113 F115L74-L104 HydrophobicContact CD1-CD2 3.99Å; L74-L104 HydrophobicContact CD2-CD2 4.13Å; L74-L104 HydrophobicContact CD2-CG 4.07Å; L74-L104 HydrophobicContact CG-CD2 4.28Å; F78-L104 HydrophobicContact CD1-CD2 4.21Å; F78-L104 HydrophobicContact CD2-CD2 4.19Å; F78-L104 HydrophobicContact CE1-CD2 3.89Å; F78-L104 HydrophobicContact CE2-CD2 3.85Å; F78-L104 HydrophobicContact CG-CD2 4.35Å; F78-L104 HydrophobicContact CZ-CD2 3.7Å; V91-L104 HydrophobicContact CG1-CD1 4.05Å; V91-L104 HydrophobicContact CG1-CD2 3.87Å; C93-L104 HydrophobicContact CB-CD1 3.63Å; H100-L104 WeakPolarHBondContact O-CB 3.32Å; H100-L104 VanDerWaalsContact O-CG 3.31Å; H100-L104 WeakPolarHBondContact O-CG 3.37Å; H100-L104 PolarHBondContact O-N 3.18Å; L104-K106 PolarHBondContact O-N 2.9Å; L104-K106 VanDerWaalsContact O-N 3.09Å; L104-F107 PolarHBondContact O-N 2.86Å; L104-V108 PolarHBondContact O-N 3.13Å; L104-V108 VanDerWaalsContact O-N 3.12Å; L104-I113 HydrophobicContact CB-CD1 3.83Å; L104-I113 HydrophobicContact CB-CG1 4.46Å; L104-I113 HydrophobicContact CD1-CG2 4.37Å; L104-F115 HydrophobicContact CD1-CE1 4.23Å; L104-F115 HydrophobicContact CD1-CZ 4.43Å
105S97Very high96.8Very high46 Ų4638 Ų3832%0.32220%0.197SC..THydrogen-bonded Turntrans-64.7-11.4177.5-60.80000113.5E101 T103 F107E101-S105 VanDerWaalsContact O-CB 3.25Å; E101-S105 WeakPolarHBondContact O-CB 3.37Å; E101-S105 PolarHBondContact O-N 2.8Å; E101-S105 PolarHBondContact O-OG 3.36Å; T103-S105 PolarHBondContact O-N 2.83Å; S105-F107 VanDerWaalsContact C-N 3.33Å
106K97.1Very high96.8Very high113 Ų11337.3 Ų37.349%0.49119%0.194SC..THydrogen-bonded Turntrans-74.4-22.9171.1-59.7172.7-178.8178.60112.8E75 T103 L104E75-K106 IonicContact OE1-NZ 3.18Å; E75-K106 PolarHBondContact OE1-NZ 2.72Å; E75-K106 IonicContact OE2-NZ 2.77Å; E75-K106 PolarHBondContact OE2-NZ 3.4Å; T103-K106 WeakPolarHBondContact O-CB 3.48Å; T103-K106 PolarHBondContact O-N 2.94Å; L104-K106 PolarHBondContact O-N 2.9Å; L104-K106 VanDerWaalsContact O-N 3.09Å
107F96.3Very high97Very high49 Ų4936.3 Ų36.322%0.21519%0.189CC..THydrogen-bonded Turntrans-114.9-33.3-169.6-56.8-80.5000113.4E75 F78 Q79 T103 L104 S105E75-F107 HydrophobicContact CG-CE2 4.2Å; E75-F107 HydrophobicContact CG-CZ 3.97Å; F78-F107 HydrophobicContact CB-CD1 3.82Å; F78-F107 HydrophobicContact CB-CD2 3.58Å; F78-F107 HydrophobicContact CB-CE1 3.82Å; F78-F107 HydrophobicContact CB-CE2 3.58Å; F78-F107 HydrophobicContact CB-CG 3.7Å; F78-F107 HydrophobicContact CB-CZ 3.7Å; F78-F107 HydrophobicContact CD1-CB 3.96Å; F78-F107 HydrophobicContact CD1-CD2 4.19Å; F78-F107 HydrophobicContact CD1-CG 4.04Å; F78-F107 HydrophobicContact CG-CD2 4.13Å; F78-F107 HydrophobicContact CG-CE2 4.48Å; F78-F107 HydrophobicContact CG-CG 4.29Å; Q79-F107 HydrophobicContact CB-CE1 4.46Å; Q79-F107 HydrophobicContact CG-CE1 3.74Å; Q79-F107 HydrophobicContact CG-CZ 3.82Å; T103-F107 HydrophobicContact CG2-CE2 4.41Å; T103-F107 VanDerWaalsContact O-CD2 3.27Å; T103-F107 WeakPolarHBondContact O-CD2 3.45Å; T103-F107 WeakPolarHBondContact O-CE2 3.35Å; L104-F107 PolarHBondContact O-N 2.86Å; S105-F107 VanDerWaalsContact C-N 3.33Å
108V97.1Very high97Very high6 Ų636.7 Ų36.74%0.03619%0.191CC..SBendtrans-134.1149.5179.2-66.20000110.9I85 V91 L104 N112 I113I85-V108 HydrophobicContact CG2-CG1 3.51Å; V91-V108 HydrophobicContact CB-CG2 4.31Å; V91-V108 HydrophobicContact CG2-CB 4.42Å; V91-V108 HydrophobicContact CG2-CG1 3.85Å; V91-V108 HydrophobicContact CG2-CG2 3.76Å; L104-V108 PolarHBondContact O-N 3.13Å; L104-V108 VanDerWaalsContact O-N 3.12Å; V108-N112 HydrophobicContact CB-CB 4.24Å; V108-I113 HydrophobicContact CG2-CD1 4.04Å; V108-I113 HydrophobicContact CG2-CG1 3.55Å
109P97Very high96.8Very high63 Ų6340.4 Ų40.441%0.40921%0.214SC..  trans-65.6154.217530.8-36.7000110.4E111 N112P109-E111 HydrophobicContact CB-CG 4.08Å; P109-E111 HydrophobicContact CG-CG 4.13Å; P109-E111 PolarHBondContact O-N 3.34Å; P109-E111 VanDerWaalsContact O-N 3.1Å; P109-N112 HydrophobicContact CG-CB 4.12Å; P109-N112 WeakPolarHBondContact O-CB 3.34Å; P109-N112 PolarHBondContact O-N 3.15Å
110K96.7Very high96.8Very high104 Ų10440 Ų4045%0.45220%0.202SC..G310 helixtrans-56.5-31.2-177.2-66.8-165.6177.1-149.90113.9E101 N112 I113 L143 D144E101-K110 IonicContact OE1-NZ 2.98Å; E101-K110 PolarHBondContact OE1-NZ 2.82Å; K110-N112 PolarHBondContact O-N 3.12Å; K110-I113 PolarHBondContact O-N 3.31Å; K110-L143 HydrophobicContact CB-CD2 3.91Å; K110-L143 HydrophobicContact CB-CG 4.48Å; K110-L143 HydrophobicContact CD-CD2 4.2Å; K110-L143 HydrophobicContact CG-CD2 3.98Å; K110-D144 HydrophobicContact CB-CB 4.49Å
111E97.7Very high96.4Very high71 Ų7143 Ų4333%0.33222%0.222SC..G310 helixtrans-65.1-15.5175.257.8-154-141.300115.1F90 P109 D144 K146 G147F90-E111 WeakPolarHBondContact CE1-O 3.38Å; F90-E111 WeakPolarHBondContact CZ-O 3.21Å; P109-E111 HydrophobicContact CB-CG 4.08Å; P109-E111 HydrophobicContact CG-CG 4.13Å; P109-E111 PolarHBondContact O-N 3.34Å; P109-E111 VanDerWaalsContact O-N 3.1Å; E111-D144 HydrophobicContact CB-CB 4.17Å; E111-K146 HydrophobicContact CB-CB 4.02Å; E111-K146 HydrophobicContact CB-CD 4.39Å; E111-K146 WeakPolarHBondContact OE2-CD 3.39Å; E111-K146 IonicContact OE2-NZ 3.06Å; E111-K146 PolarHBondContact OE2-NZ 3.46Å; E111-G147 WeakPolarHBondContact O-CA 3.43Å
112N98.3Very high96.3Very high12 Ų1242.3 Ų42.36%0.06423%0.225CC..G310 helixtrans-102.85.4177.1-68.934.1000112.7K87 T89 F90 V91 V108 P109 K110K87-N112 PolarHBondContact O-ND2 2.96Å; T89-N112 WeakPolarHBondContact O-CB 3.37Å; T89-N112 PolarHBondContact O-ND2 3.38Å; F90-N112 CarbonylContact C-O 3.54Å; F90-N112 VanDerWaalsContact CA-O 3.23Å; F90-N112 WeakPolarHBondContact CA-O 3.37Å; F90-N112 HydrophobicContact CD1-CB 4.42Å; F90-N112 WeakPolarHBondContact CD1-O 3.09Å; F90-N112 HydrophobicContact CD2-CB 4.41Å; F90-N112 HydrophobicContact CG-CB 4.33Å; V91-N112 PolarHBondContact N-O 2.92Å; V108-N112 HydrophobicContact CB-CB 4.24Å; P109-N112 HydrophobicContact CG-CB 4.12Å; P109-N112 WeakPolarHBondContact O-CB 3.34Å; P109-N112 PolarHBondContact O-N 3.15Å; K110-N112 PolarHBondContact O-N 3.12Å
113I98.5Very high96.1Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-101129-179-59.3174.8000110.3L104 V108 K110 F115 L143L104-I113 HydrophobicContact CB-CD1 3.83Å; L104-I113 HydrophobicContact CB-CG1 4.46Å; L104-I113 HydrophobicContact CD1-CG2 4.37Å; V108-I113 HydrophobicContact CG2-CD1 4.04Å; V108-I113 HydrophobicContact CG2-CG1 3.55Å; K110-I113 PolarHBondContact O-N 3.31Å; I113-F115 HydrophobicContact CG2-CD2 4.08Å; I113-F115 HydrophobicContact CG2-CE1 4.31Å; I113-F115 HydrophobicContact CG2-CE2 3.63Å; I113-F115 HydrophobicContact CG2-CZ 3.72Å; I113-L143 HydrophobicContact CB-CB 4.03Å; I113-L143 HydrophobicContact CB-CD2 3.95Å; I113-L143 HydrophobicContact CD1-CD2 4.01Å; I113-L143 HydrophobicContact CG2-CB 4.23Å; I113-L143 HydrophobicContact CG2-CD2 4.13Å; I113-L143 WeakPolarHBondContact O-CB 3.49Å; I113-L143 PolarHBondContact O-N 2.83Å
114I98.6Very high95.9Very high0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-115.1130.8170.3-50.7176.3000107F90 V91 F92 C93 M140 E141 F150 T151 V154F90-I114 HydrophobicContact CD1-CD1 4.07Å; F90-I114 HydrophobicContact CD1-CG1 4.07Å; V91-I114 PolarHBondContact O-N 2.98Å; F92-I114 WeakPolarHBondContact CA-O 3.48Å; F92-I114 HydrophobicContact CB-CB 4.24Å; F92-I114 HydrophobicContact CD2-CB 3.8Å; F92-I114 HydrophobicContact CD2-CG2 3.53Å; F92-I114 HydrophobicContact CE2-CG2 3.88Å; F92-I114 HydrophobicContact CG-CB 4.39Å; F92-I114 HydrophobicContact CG-CG2 4.32Å; C93-I114 PolarHBondContact N-O 2.96Å; I114-M140 HydrophobicContact CG2-CB 3.98Å; I114-E141 CarbonylContact C-O 3.55Å; I114-E141 WeakPolarHBondContact CA-O 3.16Å; I114-E141 WeakPolarHBondContact CG2-O 3.3Å; I114-F150 HydrophobicContact CD1-CD1 4.27Å; I114-T151 HydrophobicContact CD1-CG2 4.32Å; I114-T151 WeakPolarHBondContact CD1-OG1 3.23Å; I114-T151 WeakPolarHBondContact CG1-OG1 3.45Å; I114-T151 HydrophobicContact CG2-CG2 4.03Å; I114-V154 HydrophobicContact CD1-CB 4.45Å; I114-V154 HydrophobicContact CD1-CG2 3.9Å
115F98Very high95.7Very high16 Ų1643.5 Ų43.57%0.0725%0.251CS..EExtended strand (participates in β ladder)trans-105.3152.7171.7-80.9-59.3000110.8C93 H100 E101 L104 I113 M140 E141 L143 V171 I175C93-F115 HydrophobicContact CB-CD1 3.72Å; C93-F115 HydrophobicContact CB-CE1 3.67Å; H100-F115 HydrophobicContact CB-CE1 4.14Å; E101-F115 HydrophobicContact CB-CE2 3.86Å; E101-F115 HydrophobicContact CB-CZ 3.72Å; E101-F115 HydrophobicContact CG-CE2 4.18Å; E101-F115 HydrophobicContact CG-CZ 4.41Å; L104-F115 HydrophobicContact CD1-CE1 4.23Å; L104-F115 HydrophobicContact CD1-CZ 4.43Å; I113-F115 HydrophobicContact CG2-CD2 4.08Å; I113-F115 HydrophobicContact CG2-CE1 4.31Å; I113-F115 HydrophobicContact CG2-CE2 3.63Å; I113-F115 HydrophobicContact CG2-CZ 3.72Å; F115-M140 CarbonylContact O-C 3.56Å; F115-M140 WeakPolarHBondContact O-CA 3.48Å; F115-E141 PolarHBondContact N-O 2.68Å; F115-E141 PolarHBondContact O-N 3.08Å; F115-L143 HydrophobicContact CD2-CB 4.39Å; F115-L143 HydrophobicContact CD2-CD1 4.19Å; F115-L143 HydrophobicContact CE2-CB 4.48Å; F115-L143 HydrophobicContact CE2-CD1 4.04Å; F115-L143 HydrophobicContact CE2-CD2 4.14Å; F115-L143 HydrophobicContact CE2-CG 4.45Å; F115-V171 HydrophobicContact CB-CG1 3.88Å; F115-I175 HydrophobicContact CB-CD1 3.94Å; F115-I175 HydrophobicContact CD1-CD1 4.26Å; F115-I175 HydrophobicContact CG-CD1 4.21Å
116G97.4Very high95.6Very high2 Ų242.3 Ų42.32%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-159.9173.3174.400000114.2C93 E139C93-G116 PolarHBondContact O-N 3.44Å; G116-E139 CarbonylContact C-O 3.46Å; G116-E139 WeakPolarHBondContact CA-O 3.34Å
117T96.8Very high95.6Very high16 Ų1639.7 Ų39.710%0.09824%0.24CC..EExtended strand (participates in β ladder)trans-130.3154.8165.769.70000109I138 E139 I175 K178T117-I138 CarbonylContact O-C 3.59Å; T117-I138 WeakPolarHBondContact O-CA 3.33Å; T117-E139 PolarHBondContact N-O 2.76Å; T117-E139 PolarHBondContact O-N 2.63Å; T117-I175 HydrophobicContact CG2-CB 4.44Å; T117-I175 HydrophobicContact CG2-CG1 3.65Å; T117-K178 HydrophobicContact CG2-CD 4.34Å
118T96.1Very high95.7Very high12 Ų1237.5 Ų37.57%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-129.9141.1177-176.60000110.7M1 W120 S137 K178M1-T118 HydrophobicContact CE-CG2 4.08Å; T118-W120 WeakPolarHBondContact OG1-CB 3.27Å; T118-W120 PolarHBondContact OG1-N 3.2Å; T118-W120 VanDerWaalsContact OG1-N 3.13Å; T118-S137 WeakPolarHBondContact CA-O 3.35Å; T118-S137 PolarHBondContact OG1-O 2.91Å; T118-K178 PolarHBondContact O-NZ 3.07Å
119T93.6Very high95.7Very high85 Ų8539.4 Ų39.452%0.52124%0.24SC..  trans-99.8-5168.9580000111.9G136 S137T119-G136 WeakPolarHBondContact OG1-CA 3.47Å; T119-S137 PolarHBondContact N-O 3.48Å; T119-S137 PolarHBondContact OG1-N 3.18Å; T119-S137 PolarHBondContact OG1-O 3.43Å; T119-S137 PolarHBondContact OG1-OG 3.09Å
120W94.1Very high95.7Very high22 Ų2236.4 Ų36.48%0.08322%0.221CC..  trans-61.9142.2172.1-72.396.9000111.3M1 M8 T118 G134 T135 G136 K162 L163 N164M1-W120 HydrophobicContact CE-CB 3.63Å; M1-W120 HydrophobicContact SD-CB 4.36Å; M8-W120 HydrophobicContact CE-CH2 4.33Å; M8-W120 HydrophobicContact CE-CZ2 4.48Å; T118-W120 WeakPolarHBondContact OG1-CB 3.27Å; T118-W120 PolarHBondContact OG1-N 3.2Å; T118-W120 VanDerWaalsContact OG1-N 3.13Å; W120-G134 WeakPolarHBondContact CZ3-O 3.41Å; W120-T135 VanDerWaalsContact CZ3-CA 3.44Å; W120-G136 VanDerWaalsContact CE2-C 3.44Å; W120-G136 VanDerWaalsContact CE2-O 3.26Å; W120-G136 WeakPolarHBondContact CZ2-O 3.48Å; W120-G136 VanDerWaalsContact NE1-C 3.27Å; W120-G136 PolarHBondContact NE1-O 2.77Å; W120-K162 WeakPolarHBondContact CZ2-O 3.39Å; W120-L163 PolarHBondContact NE1-O 2.9Å; W120-N164 WeakPolarHBondContact CZ2-ND2 3.43Å
121T89.3Confident95.7Very high74 Ų7436 Ų3645%0.45422%0.219SC..  trans-106.1151.7174.160.80000110.2R4 V133R4-T121 VanDerWaalsContact CZ-O 3.29Å; R4-T121 PolarHBondContact NE-O 2.92Å; R4-T121 PolarHBondContact NH2-O 3.26Å; T121-V133 PolarHBondContact OG1-O 3.13Å
122A92.5Very high95.6Very high35 Ų3532.8 Ų32.829%0.28920%0.204SC..  trans-154.5136.7168.300000108.9M1 R4 L132M1-A122 HydrophobicContact CG-CB 4.31Å; M1-A122 HydrophobicContact SD-CB 3.54Å; M1-A122 VanDerWaalsContact SD-CB 3.54Å; R4-A122 HydrophobicContact CB-CB 4.39Å; A122-L132 HydrophobicContact CB-CD2 3.91Å
123G91.3Very high95.3Very high36 Ų3635 Ų3537%0.37122%0.218SC..EExtended strand (participates in β ladder)trans-113.8165.3170.400000111.2A130 K131G123-A130 CarbonylContact O-C 3.5Å; G123-A130 WeakPolarHBondContact O-CA 3.36Å; G123-K131 PolarHBondContact N-O 3.36Å; G123-K131 PolarHBondContact O-N 3.47Å
124L92.4Very high94.9Very high96 Ų9637.3 Ų37.350%0.50324%0.242SC..EExtended strand (participates in β ladder)trans-109124.4166.1-74.4164.9000107.8W22 G126 H129 A130W22-L124 HydrophobicContact CZ3-CD1 4.18Å; L124-G126 VanDerWaalsContact C-N 3.32Å; L124-H129 WeakPolarHBondContact CA-O 3.31Å; L124-A130 HydrophobicContact CD2-CB 4.35Å
125A93.2Very high94.6Very high56 Ų5642.5 Ų42.546%0.46327%0.273SS..EExtended strand (participates in β ladder)trans-79.1-24.2169.200000111.2H129 K131A125-H129 HydrophobicContact CB-CB 4.3Å; A125-H129 PolarHBondContact N-O 3.36Å; A125-K131 HydrophobicContact CB-CD 4.42Å; A125-K131 HydrophobicContact CB-CG 4.13Å
126G95Very high94.4Very high21 Ų2142.1 Ų42.122%0.21627%0.274CS..EExtended strand (participates in β ladder)trans175.2-174.5177.500000110.9L124 G128 H129L124-G126 VanDerWaalsContact C-N 3.32Å; G126-G128 PolarHBondContact O-N 3.42Å; G126-H129 PolarHBondContact N-O 3.38Å; G126-H129 PolarHBondContact O-N 2.97Å
127P97.5Very high94.4Very high57 Ų5743.4 Ų43.437%0.3728%0.283SS..THydrogen-bonded Turntrans-52.1132.5170.1-21.530.5000111.5W22 D24 A28 H129W22-P127 HydrophobicContact CH2-CB 4.25Å; W22-P127 HydrophobicContact CH2-CG 3.68Å; W22-P127 HydrophobicContact CZ2-CB 4.38Å; W22-P127 HydrophobicContact CZ2-CG 3.62Å; D24-P127 HydrophobicContact CB-CB 4.07Å; D24-P127 HydrophobicContact CB-CG 3.88Å; D24-P127 WeakPolarHBondContact O-CB 3.37Å; A28-P127 HydrophobicContact CB-CB 3.78Å; P127-H129 PolarHBondContact O-N 3.19Å; P127-H129 VanDerWaalsContact O-N 3.1Å
128G98Very high94.5Very high3 Ų342.7 Ų42.73%0.03128%0.278CS..THydrogen-bonded Turntrans64.92.4-178.200000117.4H25 I35 G126H25-G128 PolarHBondContact ND1-N 2.86Å; I35-G128 PolarHBondContact N-O 2.82Å; G126-G128 PolarHBondContact O-N 3.42Å
129H98.1Very high94.6Very high46 Ų4644.5 Ų44.521%0.21329%0.286CS..EExtended strand (participates in β ladder)trans-127.1110.3-176-171.2174.2000111.9I35 E37 L124 A125 G126 P127I35-H129 HydrophobicContact CB-CB 4.34Å; I35-H129 WeakPolarHBondContact O-CA 3.43Å; E37-H129 IonicContact OE2-CE1 3.75Å; E37-H129 IonicContact OE2-NE2 2.65Å; E37-H129 PolarHBondContact OE2-NE2 3.03Å; L124-H129 WeakPolarHBondContact CA-O 3.31Å; A125-H129 HydrophobicContact CB-CB 4.3Å; A125-H129 PolarHBondContact N-O 3.36Å; G126-H129 PolarHBondContact N-O 3.38Å; G126-H129 PolarHBondContact O-N 2.97Å; P127-H129 PolarHBondContact O-N 3.19Å; P127-H129 VanDerWaalsContact O-N 3.1Å
130A97.8Very high94.8Very high1 Ų140.4 Ų40.41%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-104.9134.317900000112.1I35 E37 G123 L124 L132I35-A130 PolarHBondContact O-N 3.13Å; E37-A130 PolarHBondContact N-O 3.01Å; G123-A130 CarbonylContact O-C 3.5Å; G123-A130 WeakPolarHBondContact O-CA 3.36Å; L124-A130 HydrophobicContact CD2-CB 4.35Å; A130-L132 HydrophobicContact CB-CD2 3.84Å; A130-L132 HydrophobicContact CB-CG 4.09Å
131K96.5Very high95Very high96 Ų9641.3 Ų41.342%0.41727%0.266SS..EExtended strand (participates in β ladder)trans-90116.4168.7-68.1-168.6171.6-163.30109.7E37 G123 A125E37-K131 WeakPolarHBondContact OE2-CE 3.26Å; G123-K131 PolarHBondContact N-O 3.36Å; G123-K131 PolarHBondContact O-N 3.47Å; A125-K131 HydrophobicContact CB-CD 4.42Å; A125-K131 HydrophobicContact CB-CG 4.13Å
132L95.6Very high95.4Very high2 Ų238.5 Ų38.51%0.0125%0.248CC..  trans-121.636.7-167.8-56.1-173.4000112.3R4 L7 E37 F38 A122 A130R4-L132 HydrophobicContact CB-CD1 4.45Å; R4-L132 HydrophobicContact CB-CD2 3.64Å; R4-L132 HydrophobicContact CG-CD2 4.19Å; R4-L132 PolarHBondContact NH1-O 3.17Å; R4-L132 VanDerWaalsContact NH1-O 3.13Å; R4-L132 VanDerWaalsContact NH2-CA 3.28Å; R4-L132 PolarHBondContact NH2-O 3.07Å; L7-L132 HydrophobicContact CD2-CD1 3.95Å; E37-L132 CarbonylContact O-C 3.56Å; E37-L132 WeakPolarHBondContact O-CA 3.1Å; E37-L132 PolarHBondContact O-N 3.49Å; F38-L132 HydrophobicContact CD1-CB 3.98Å; F38-L132 HydrophobicContact CE1-CB 4.1Å; F38-L132 HydrophobicContact CE1-CD1 4.05Å; F38-L132 HydrophobicContact CE2-CD1 4.2Å; F38-L132 HydrophobicContact CG-CB 4.38Å; F38-L132 HydrophobicContact CZ-CD1 3.82Å; A122-L132 HydrophobicContact CB-CD2 3.91Å; A130-L132 HydrophobicContact CB-CD2 3.84Å; A130-L132 HydrophobicContact CB-CG 4.09Å
133V90.9Very high95.6Very high60 Ų6038.4 Ų38.436%0.36424%0.243SC..  trans-70.1157175.7-65.30000113.5R4 E39 T121R4-V133 PolarHBondContact NH2-O 3.39Å; E39-V133 WeakPolarHBondContact OE2-CB 3.44Å; E39-V133 WeakPolarHBondContact OE2-CG1 3.28Å; T121-V133 PolarHBondContact OG1-O 3.13Å
134G90.2Very high95.9Very high48 Ų4838.9 Ų38.950%0.49524%0.237SC..SBendtrans75.1-179.4177.500000116E39 W120E39-G134 PolarHBondContact OE2-N 3.22Å; W120-G134 WeakPolarHBondContact CZ3-O 3.41Å
135T92.3Very high96.1Very high108 Ų10839.3 Ų39.366%0.66325%0.245SC*.  trans-121.6165.2-179-167.10000111.7W120W120-T135 VanDerWaalsContact CZ3-CA 3.44Å
136G94.6Very high96.3Very high9 Ų943.9 Ų43.99%0.09326%0.255CS..  trans-165.5-171.2175.500000111.7T119 W120 N164T119-G136 WeakPolarHBondContact OG1-CA 3.47Å; W120-G136 VanDerWaalsContact CE2-C 3.44Å; W120-G136 VanDerWaalsContact CE2-O 3.26Å; W120-G136 WeakPolarHBondContact CZ2-O 3.48Å; W120-G136 VanDerWaalsContact NE1-C 3.27Å; W120-G136 PolarHBondContact NE1-O 2.77Å; G136-N164 VanDerWaalsContact O-CB 3.28Å; G136-N164 WeakPolarHBondContact O-CB 3.4Å; G136-N164 PolarHBondContact O-ND2 3.42Å
137S97Very high96.4Very high29 Ų2942.9 Ų42.920%0.20325%0.245CC..  trans-137159.5175.958.40000110.4T118 T119 N164T118-S137 WeakPolarHBondContact CA-O 3.35Å; T118-S137 PolarHBondContact OG1-O 2.91Å; T119-S137 PolarHBondContact N-O 3.48Å; T119-S137 PolarHBondContact OG1-N 3.18Å; T119-S137 PolarHBondContact OG1-O 3.43Å; T119-S137 PolarHBondContact OG1-OG 3.09Å; S137-N164 WeakPolarHBondContact CA-O 3.37Å; S137-N164 WeakPolarHBondContact CB-O 3.33Å
138I98.3Very high96.5Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-123.7108.1175.5-62.4-173.8000108.7I5 F92 L94 T117 M140 F158 L163 N164 P165 I166I5-I138 HydrophobicContact CD1-CD1 4.19Å; I5-I138 HydrophobicContact CG1-CD1 4.47Å; F92-I138 HydrophobicContact CE1-CG2 3.79Å; F92-I138 HydrophobicContact CZ-CG2 3.5Å; F92-I138 VanDerWaalsContact CZ-CG2 3.5Å; L94-I138 HydrophobicContact CD1-CD1 4.33Å; L94-I138 HydrophobicContact CD1-CG2 4.48Å; L94-I138 HydrophobicContact CD2-CG2 3.99Å; T117-I138 CarbonylContact O-C 3.59Å; T117-I138 WeakPolarHBondContact O-CA 3.33Å; I138-M140 HydrophobicContact CB-CE 4.5Å; I138-M140 HydrophobicContact CG2-CE 3.74Å; I138-F158 HydrophobicContact CD1-CD1 3.91Å; I138-F158 HydrophobicContact CD1-CE1 3.88Å; I138-L163 HydrophobicContact CD1-CB 4.1Å; I138-L163 HydrophobicContact CD1-CD2 4.32Å; I138-N164 PolarHBondContact N-O 3.1Å; I138-P165 CarbonylContact O-C 3.49Å; I138-P165 VanDerWaalsContact O-CA 3.25Å; I138-P165 WeakPolarHBondContact O-CA 3.4Å; I138-I166 PolarHBondContact O-N 3.22Å
139E98.1Very high96.5Very high50 Ų5047.6 Ų47.623%0.23427%0.271CS..EExtended strand (participates in β ladder)trans-78.2138.8167.4-69-179.1-160.100109.4G116 T117 I166 V171 S174G116-E139 CarbonylContact C-O 3.46Å; G116-E139 WeakPolarHBondContact CA-O 3.34Å; T117-E139 PolarHBondContact N-O 2.76Å; T117-E139 PolarHBondContact O-N 2.63Å; E139-I166 CarbonylContact C-O 3.5Å; E139-I166 WeakPolarHBondContact CA-O 3.37Å; E139-I166 HydrophobicContact CG-CB 4.34Å; E139-V171 HydrophobicContact CB-CG2 4.28Å; E139-S174 VanDerWaalsContact OE2-CB 3.23Å; E139-S174 WeakPolarHBondContact OE2-CB 3.34Å; E139-S174 PolarHBondContact OE2-OG 3.06Å
140M98.1Very high96.5Very high0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-146.8151.3174.466.9-175.871.500113.6F92 I114 F115 I138 T151 V154 L155 F158 P165 I166 S168F92-M140 HydrophobicContact CE1-CE 3.88Å; F92-M140 HydrophobicContact CE2-CB 3.6Å; F92-M140 HydrophobicContact CZ-CB 3.67Å; F92-M140 HydrophobicContact CZ-CE 3.84Å; F92-M140 HydrophobicContact CZ-SD 4.5Å; I114-M140 HydrophobicContact CG2-CB 3.98Å; F115-M140 CarbonylContact O-C 3.56Å; F115-M140 WeakPolarHBondContact O-CA 3.48Å; I138-M140 HydrophobicContact CB-CE 4.5Å; I138-M140 HydrophobicContact CG2-CE 3.74Å; M140-T151 HydrophobicContact CG-CG2 4.29Å; M140-T151 HydrophobicContact SD-CG2 4.47Å; M140-V154 HydrophobicContact CE-CG1 4.31Å; M140-V154 HydrophobicContact SD-CB 4.27Å; M140-V154 HydrophobicContact SD-CG1 3.84Å; M140-L155 HydrophobicContact CE-CD2 4.16Å; M140-L155 HydrophobicContact CG-CD2 3.5Å; M140-L155 VanDerWaalsContact CG-CD2 3.5Å; M140-L155 HydrophobicContact CG-CG 4.21Å; M140-L155 HydrophobicContact SD-CD2 3.55Å; M140-L155 VanDerWaalsContact SD-CD2 3.55Å; M140-L155 HydrophobicContact SD-CG 3.89Å; M140-F158 HydrophobicContact CE-CB 4.46Å; M140-F158 HydrophobicContact CE-CD1 3.88Å; M140-F158 HydrophobicContact CE-CE1 4.36Å; M140-F158 HydrophobicContact CE-CG 4.15Å; M140-P165 HydrophobicContact CE-CB 3.86Å; M140-I166 PolarHBondContact N-O 3.3Å; M140-S168 PolarHBondContact O-N 2.81Å; M140-S168 VanDerWaalsContact O-N 3.15Å
141E98.3Very high96.5Very high41 Ų4147.4 Ų47.419%0.19227%0.27CS..EExtended strand (participates in β ladder)trans-151.2138.3-179.4-167.9173.6-166.800110.1I114 F115 S168 N169 N170 V171I114-E141 CarbonylContact C-O 3.55Å; I114-E141 WeakPolarHBondContact CA-O 3.16Å; I114-E141 WeakPolarHBondContact CG2-O 3.3Å; F115-E141 PolarHBondContact N-O 2.68Å; F115-E141 PolarHBondContact O-N 3.08Å; E141-S168 VanDerWaalsContact CB-O 3.25Å; E141-S168 WeakPolarHBondContact CB-O 3.35Å; E141-S168 VanDerWaalsContact CG-O 3.23Å; E141-S168 WeakPolarHBondContact CG-O 3.28Å; E141-N169 VanDerWaalsContact OE1-CA 3.28Å; E141-N169 WeakPolarHBondContact OE1-CA 3.05Å; E141-N170 PolarHBondContact OE2-N 3.39Å; E141-V171 HydrophobicContact CB-CB 3.72Å; E141-V171 HydrophobicContact CB-CG2 3.48Å; E141-V171 VanDerWaalsContact CB-CG2 3.48Å; E141-V171 WeakPolarHBondContact OE2-CB 3.31Å; E141-V171 PolarHBondContact OE2-N 3.01Å
142N98.2Very high96.6Very high15 Ų1546.2 Ų46.28%0.0827%0.268CS..EExtended strand (participates in β ladder)trans-68.5135.7168.950.3-78000110.6D144 P145 K148 T151 Y167N142-D144 PolarHBondContact ND2-O 3.33Å; N142-P145 WeakPolarHBondContact ND2-CA 3.08Å; N142-K148 WeakPolarHBondContact OD1-CA 3.36Å; N142-T151 WeakPolarHBondContact CB-OG1 3.08Å; N142-Y167 PolarHBondContact OD1-OH 3.11Å
143L96.1Very high96.8Very high32 Ų3252.4 Ų52.417%0.16830%0.295CS..SBendtrans-67.1-43.7177.4177.562.8000112.4E101 K110 I113 F115E101-L143 HydrophobicContact CG-CD1 4.4Å; E101-L143 HydrophobicContact CG-CD2 3.79Å; E101-L143 WeakPolarHBondContact OE2-CD1 3.41Å; K110-L143 HydrophobicContact CB-CD2 3.91Å; K110-L143 HydrophobicContact CB-CG 4.48Å; K110-L143 HydrophobicContact CD-CD2 4.2Å; K110-L143 HydrophobicContact CG-CD2 3.98Å; I113-L143 HydrophobicContact CB-CB 4.03Å; I113-L143 HydrophobicContact CB-CD2 3.95Å; I113-L143 HydrophobicContact CD1-CD2 4.01Å; I113-L143 HydrophobicContact CG2-CB 4.23Å; I113-L143 HydrophobicContact CG2-CD2 4.13Å; I113-L143 WeakPolarHBondContact O-CB 3.49Å; I113-L143 PolarHBondContact O-N 2.83Å; F115-L143 HydrophobicContact CD2-CB 4.39Å; F115-L143 HydrophobicContact CD2-CD1 4.19Å; F115-L143 HydrophobicContact CE2-CB 4.48Å; F115-L143 HydrophobicContact CE2-CD1 4.04Å; F115-L143 HydrophobicContact CE2-CD2 4.14Å; F115-L143 HydrophobicContact CE2-CG 4.45Å
144D96.7Very high97.1Very high47 Ų4749.8 Ų49.825%0.25128%0.279SS..SBendtrans-110.1141.5175.4-174.7-75000110.1K110 E111 N142 K146 G147K110-D144 HydrophobicContact CB-CB 4.49Å; E111-D144 HydrophobicContact CB-CB 4.17Å; N142-D144 PolarHBondContact ND2-O 3.33Å; D144-K146 PolarHBondContact O-N 3.47Å; D144-K146 VanDerWaalsContact O-N 3.08Å; D144-K146 WeakPolarHBondContact OD1-CB 3.37Å; D144-K146 WeakPolarHBondContact OD1-CG 3.33Å; D144-K146 PolarHBondContact OD1-N 3.18Å; D144-G147 PolarHBondContact O-N 3.19Å
145P97.2Very high97.5Very high105 Ų10548.7 Ų48.768%0.68226%0.261SS*.G310 helixtrans-50.6-31.7178.2-3036.6000115.5N142 G147 K148N142-P145 WeakPolarHBondContact ND2-CA 3.08Å; P145-G147 PolarHBondContact O-N 3.01Å; P145-K148 VanDerWaalsContact O-CB 3.25Å; P145-K148 WeakPolarHBondContact O-CB 2.9Å; P145-K148 PolarHBondContact O-N 2.8Å
146K98Very high97.8Very high151 Ų15149.3 Ų49.366%0.65726%0.257SS*.G310 helixtrans-63.8-28.3177.7-66173.8-174172.50113E111 D144 K148E111-K146 HydrophobicContact CB-CB 4.02Å; E111-K146 HydrophobicContact CB-CD 4.39Å; E111-K146 WeakPolarHBondContact OE2-CD 3.39Å; E111-K146 IonicContact OE2-NZ 3.06Å; E111-K146 PolarHBondContact OE2-NZ 3.46Å; D144-K146 PolarHBondContact O-N 3.47Å; D144-K146 VanDerWaalsContact O-N 3.08Å; D144-K146 WeakPolarHBondContact OD1-CB 3.37Å; D144-K146 WeakPolarHBondContact OD1-CG 3.33Å; D144-K146 PolarHBondContact OD1-N 3.18Å; K146-K148 PolarHBondContact O-N 2.96Å
147G97.9Very high98Very high1 Ų151 Ų511%0.0127%0.266CS..G310 helixtrans-76.1-6.417800000114.5E111 D144 P145 A149 F150 T151E111-G147 WeakPolarHBondContact O-CA 3.43Å; D144-G147 PolarHBondContact O-N 3.19Å; P145-G147 PolarHBondContact O-N 3.01Å; G147-A149 PolarHBondContact O-N 3.48Å; G147-F150 PolarHBondContact O-N 2.95Å; G147-T151 PolarHBondContact O-N 3.17Å; G147-T151 PolarHBondContact O-OG1 3.36Å
148K98.2Very high98.1Very high88 Ų8849.7 Ų49.738%0.38326%0.256SS..Hα-helixtrans-60.1-43.8-173.6-175.7165.7-175.2159.30113.1N142 P145 K146 F150 T151 L152 Y167N142-K148 WeakPolarHBondContact OD1-CA 3.36Å; P145-K148 VanDerWaalsContact O-CB 3.25Å; P145-K148 WeakPolarHBondContact O-CB 2.9Å; P145-K148 PolarHBondContact O-N 2.8Å; K146-K148 PolarHBondContact O-N 2.96Å; K148-F150 VanDerWaalsContact C-N 3.31Å; K148-F150 PolarHBondContact O-N 3.22Å; K148-T151 PolarHBondContact O-N 2.95Å; K148-L152 HydrophobicContact CG-CD1 4.46Å; K148-L152 HydrophobicContact CG-CG 4.43Å; K148-L152 WeakPolarHBondContact O-CG 3.39Å; K148-L152 PolarHBondContact O-N 3.5Å; K148-Y167 WeakPolarHBondContact CD-OH 3.4Å; K148-Y167 WeakPolarHBondContact CE-OH 3.21Å
149A98.4Very high98.1Very high70 Ų7054.8 Ų54.858%0.57928%0.28SS*.Hα-helixtrans-60.2-41.8-177.700000112.1G147 K153G147-A149 PolarHBondContact O-N 3.48Å; A149-K153 PolarHBondContact O-N 2.78Å
150F98.3Very high98.1Very high43 Ų4359.7 Ų59.719%0.18930%0.3CS..Hα-helixtrans-70.9-40.4175.8-169.5-87.9000111.5D63 L64 F90 I114 G147 K148 L152 K153 V154D63-F150 HydrophobicContact CB-CE2 4.48Å; D63-F150 HydrophobicContact CB-CZ 4.15Å; D63-F150 WeakPolarHBondContact O-CZ 3.39Å; L64-F150 HydrophobicContact CB-CE1 4.42Å; L64-F150 HydrophobicContact CB-CZ 4.44Å; L64-F150 HydrophobicContact CD1-CE1 4.29Å; F90-F150 HydrophobicContact CB-CD1 3.76Å; F90-F150 HydrophobicContact CB-CE1 3.46Å; F90-F150 VanDerWaalsContact CB-CE1 3.46Å; F90-F150 HydrophobicContact CB-CZ 4.15Å; F90-F150 HydrophobicContact CD1-CB 4.15Å; F90-F150 AromaticContact CD1-CD1 3.46Å; F90-F150 HydrophobicContact CD1-CD1 3.46Å; F90-F150 VanDerWaalsContact CD1-CD1 3.46Å; F90-F150 HydrophobicContact CD1-CE1 4.12Å; F90-F150 AromaticContact CD1-CG 3.99Å; F90-F150 HydrophobicContact CD1-CG 3.99Å; F90-F150 HydrophobicContact CD2-CB 4.26Å; F90-F150 AromaticContact CD2-CD1 3.6Å; F90-F150 HydrophobicContact CD2-CD1 3.6Å; F90-F150 AromaticContact CD2-CD2 3.96Å; F90-F150 HydrophobicContact CD2-CD2 3.96Å; F90-F150 AromaticContact CD2-CE1 3.85Å; F90-F150 HydrophobicContact CD2-CE1 3.85Å; F90-F150 HydrophobicContact CD2-CE2 4.18Å; F90-F150 AromaticContact CD2-CG 3.66Å; F90-F150 HydrophobicContact CD2-CG 3.66Å; F90-F150 HydrophobicContact CD2-CZ 4.12Å; F90-F150 HydrophobicContact CE1-CB 3.67Å; F90-F150 AromaticContact CE1-CD1 3.92Å; F90-F150 HydrophobicContact CE1-CD1 3.92Å; F90-F150 AromaticContact CE1-CG 3.99Å; F90-F150 HydrophobicContact CE1-CG 3.99Å; F90-F150 HydrophobicContact CE2-CB 3.83Å; F90-F150 HydrophobicContact CE2-CD1 4.07Å; F90-F150 HydrophobicContact CE2-CD2 4.02Å; F90-F150 AromaticContact CE2-CG 3.7Å; F90-F150 HydrophobicContact CE2-CG 3.7Å; F90-F150 HydrophobicContact CG-CB 4.43Å; F90-F150 AromaticContact CG-CD1 3.29Å; F90-F150 HydrophobicContact CG-CD1 3.29Å; F90-F150 HydrophobicContact CG-CD2 4.5Å; F90-F150 AromaticContact CG-CE1 3.53Å; F90-F150 HydrophobicContact CG-CE1 3.53Å; F90-F150 AromaticContact CG-CG 3.84Å; F90-F150 HydrophobicContact CG-CG 3.84Å; F90-F150 HydrophobicContact CG-CZ 4.23Å; F90-F150 HydrophobicContact CZ-CB 3.52Å; F90-F150 HydrophobicContact CZ-CD1 4.22Å; F90-F150 AromaticContact CZ-CG 3.87Å; F90-F150 HydrophobicContact CZ-CG 3.87Å; I114-F150 HydrophobicContact CD1-CD1 4.27Å; G147-F150 PolarHBondContact O-N 2.95Å; K148-F150 VanDerWaalsContact C-N 3.31Å; K148-F150 PolarHBondContact O-N 3.22Å; F150-L152 VanDerWaalsContact C-N 3.26Å; F150-L152 PolarHBondContact O-N 3.43Å; F150-K153 WeakPolarHBondContact O-CA 3.28Å; F150-K153 VanDerWaalsContact O-CB 3.32Å; F150-K153 WeakPolarHBondContact O-CB 3.35Å; F150-K153 PolarHBondContact O-N 3.28Å; F150-V154 HydrophobicContact CD1-CG2 3.69Å; F150-V154 HydrophobicContact CE1-CG2 3.46Å; F150-V154 VanDerWaalsContact CE1-CG2 3.46Å; F150-V154 HydrophobicContact CZ-CG2 4.41Å; F150-V154 WeakPolarHBondContact O-CG2 3.22Å; F150-V154 PolarHBondContact O-N 3.02Å
151T98.6Very high98.1Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-58.7-37.9176.9-58.70000112.4I114 M140 N142 G147 K148 K153 V154 L155 Y167I114-T151 HydrophobicContact CD1-CG2 4.32Å; I114-T151 WeakPolarHBondContact CD1-OG1 3.23Å; I114-T151 WeakPolarHBondContact CG1-OG1 3.45Å; I114-T151 HydrophobicContact CG2-CG2 4.03Å; M140-T151 HydrophobicContact CG-CG2 4.29Å; M140-T151 HydrophobicContact SD-CG2 4.47Å; N142-T151 WeakPolarHBondContact CB-OG1 3.08Å; G147-T151 PolarHBondContact O-N 3.17Å; G147-T151 PolarHBondContact O-OG1 3.36Å; K148-T151 PolarHBondContact O-N 2.95Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 2.98Å; T151-V154 WeakPolarHBondContact O-CB 3.38Å; T151-V154 PolarHBondContact O-N 3.34Å; T151-L155 PolarHBondContact O-N 3.06Å; T151-Y167 HydrophobicContact CG2-CD2 4.13Å; T151-Y167 HydrophobicContact CG2-CE2 3.9Å
152L98.5Very high98.1Very high72 Ų7265.5 Ų65.538%0.37733%0.326SS..Hα-helixtrans-64.3-36.5173.8-65179.9000112.5K148 F150 V154 L155 E156 Y167K148-L152 HydrophobicContact CG-CD1 4.46Å; K148-L152 HydrophobicContact CG-CG 4.43Å; K148-L152 WeakPolarHBondContact O-CG 3.39Å; K148-L152 PolarHBondContact O-N 3.5Å; F150-L152 VanDerWaalsContact C-N 3.26Å; F150-L152 PolarHBondContact O-N 3.43Å; L152-V154 VanDerWaalsContact C-N 3.34Å; L152-L155 HydrophobicContact CD2-CD1 3.57Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.91Å; L152-E156 PolarHBondContact O-N 2.81Å; L152-E156 VanDerWaalsContact O-N 3.16Å; L152-Y167 HydrophobicContact CD2-CD2 4.17Å; L152-Y167 HydrophobicContact CD2-CE2 4.41Å; L152-Y167 HydrophobicContact CD2-CG 4.47Å
153K98.4Very high98Very high131 Ų13164.8 Ų64.857%0.5732%0.322SS*.Hα-helixtrans-64.1-39.9171.6-63.1178179.4-178.30111.7A149 F150 T151 L155 E156 V157A149-K153 PolarHBondContact O-N 2.78Å; F150-K153 WeakPolarHBondContact O-CA 3.28Å; F150-K153 VanDerWaalsContact O-CB 3.32Å; F150-K153 WeakPolarHBondContact O-CB 3.35Å; F150-K153 PolarHBondContact O-N 3.28Å; T151-K153 VanDerWaalsContact C-N 3.34Å; T151-K153 PolarHBondContact O-N 2.98Å; K153-L155 VanDerWaalsContact C-N 3.33Å; K153-L155 PolarHBondContact O-N 2.89Å; K153-E156 PolarHBondContact O-N 3.42Å; K153-V157 WeakPolarHBondContact O-CG2 3.36Å; K153-V157 PolarHBondContact O-N 3.14Å
154V98.5Very high98.1Very high5 Ų566.1 Ų66.13%0.0333%0.329CS..Hα-helixtrans-61.2-42.2175.7179.80000110.8L64 I114 M140 F150 T151 L152 E156 V157 F158L64-V154 HydrophobicContact CD1-CG2 4.5Å; L64-V154 HydrophobicContact CD2-CG1 3.89Å; L64-V154 HydrophobicContact CD2-CG2 3.97Å; I114-V154 HydrophobicContact CD1-CB 4.45Å; I114-V154 HydrophobicContact CD1-CG2 3.9Å; M140-V154 HydrophobicContact CE-CG1 4.31Å; M140-V154 HydrophobicContact SD-CB 4.27Å; M140-V154 HydrophobicContact SD-CG1 3.84Å; F150-V154 HydrophobicContact CD1-CG2 3.69Å; F150-V154 HydrophobicContact CE1-CG2 3.46Å; F150-V154 VanDerWaalsContact CE1-CG2 3.46Å; F150-V154 HydrophobicContact CZ-CG2 4.41Å; F150-V154 WeakPolarHBondContact O-CG2 3.22Å; F150-V154 PolarHBondContact O-N 3.02Å; T151-V154 WeakPolarHBondContact O-CB 3.38Å; T151-V154 PolarHBondContact O-N 3.34Å; L152-V154 VanDerWaalsContact C-N 3.34Å; V154-E156 VanDerWaalsContact C-N 3.35Å; V154-E156 PolarHBondContact O-N 3.04Å; V154-V157 PolarHBondContact O-N 3.12Å; V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.62Å; V154-F158 HydrophobicContact CG1-CG 4.43Å; V154-F158 HydrophobicContact CG1-CZ 4.32Å; V154-F158 WeakPolarHBondContact O-CB 3.29Å; V154-F158 WeakPolarHBondContact O-CD2 3.06Å; V154-F158 PolarHBondContact O-N 2.88Å
155L98.3Very high98.2Very high25 Ų2564.6 Ų64.613%0.13132%0.322CS..Hα-helixtrans-56.9-46.7172.9-66.2165.5000111.7M140 T151 L152 K153 V157 F158 Q159 P165 Y167M140-L155 HydrophobicContact CE-CD2 4.16Å; M140-L155 HydrophobicContact CG-CD2 3.5Å; M140-L155 VanDerWaalsContact CG-CD2 3.5Å; M140-L155 HydrophobicContact CG-CG 4.21Å; M140-L155 HydrophobicContact SD-CD2 3.55Å; M140-L155 VanDerWaalsContact SD-CD2 3.55Å; M140-L155 HydrophobicContact SD-CG 3.89Å; T151-L155 PolarHBondContact O-N 3.06Å; L152-L155 HydrophobicContact CD2-CD1 3.57Å; L152-L155 WeakPolarHBondContact O-CB 3.46Å; L152-L155 PolarHBondContact O-N 2.91Å; K153-L155 VanDerWaalsContact C-N 3.33Å; K153-L155 PolarHBondContact O-N 2.89Å; L155-V157 PolarHBondContact O-N 3.37Å; L155-F158 PolarHBondContact O-N 3.32Å; L155-Q159 VanDerWaalsContact O-CB 3.23Å; L155-Q159 WeakPolarHBondContact O-CB 3.21Å; L155-Q159 PolarHBondContact O-N 2.88Å; L155-P165 HydrophobicContact CD2-CB 3.76Å; L155-P165 HydrophobicContact CD2-CG 4.5Å; L155-P165 VanDerWaalsContact O-CG 3.25Å; L155-P165 WeakPolarHBondContact O-CG 3.35Å; L155-Y167 HydrophobicContact CD1-CD2 3.85Å; L155-Y167 HydrophobicContact CD1-CG 4.08Å
156E98.5Very high98.3Very high121 Ų12163.5 Ų63.557%0.56531%0.31SS*.Hα-helixtrans-62.3-43.3-179.9-69.7176.6-16700112.1L152 K153 V154 Q159 K160L152-E156 PolarHBondContact O-N 2.81Å; L152-E156 VanDerWaalsContact O-N 3.16Å; K153-E156 PolarHBondContact O-N 3.42Å; V154-E156 VanDerWaalsContact C-N 3.35Å; V154-E156 PolarHBondContact O-N 3.04Å; E156-Q159 PolarHBondContact O-N 2.89Å; E156-K160 WeakPolarHBondContact O-CG 3.37Å; E156-K160 PolarHBondContact O-N 3.07Å
157V98.5Very high98.3Very high46 Ų4659 Ų5928%0.27929%0.289SS..Hα-helixtrans-61.9-46.6176.3169.90000110.7L9 N14 K153 V154 L155 Q159 K160 A161L9-V157 HydrophobicContact CD2-CG1 3.63Å; N14-V157 WeakPolarHBondContact OD1-CG1 2.98Å; K153-V157 WeakPolarHBondContact O-CG2 3.36Å; K153-V157 PolarHBondContact O-N 3.14Å; V154-V157 PolarHBondContact O-N 3.12Å; L155-V157 PolarHBondContact O-N 3.37Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; V157-Q159 PolarHBondContact O-N 2.81Å; V157-K160 PolarHBondContact O-N 3.36Å; V157-A161 PolarHBondContact O-N 3.02Å
158F98.6Very high98.1Very high1 Ų160 Ų600%0.00430%0.296CS..Hα-helixtrans-68-31.5179-83.8-127.4000112.1I5 L9 L64 V66 F92 I138 M140 V154 L155 A161 K162 L163 P165I5-F158 HydrophobicContact CG2-CE1 4.43Å; I5-F158 HydrophobicContact CG2-CZ 4.27Å; L9-F158 HydrophobicContact CD1-CE2 4.2Å; L9-F158 HydrophobicContact CD1-CZ 4.37Å; L9-F158 HydrophobicContact CD2-CD2 3.97Å; L9-F158 HydrophobicContact CD2-CE2 3.99Å; L64-F158 HydrophobicContact CD2-CE2 4.18Å; V66-F158 HydrophobicContact CG2-CZ 4.18Å; F92-F158 HydrophobicContact CD1-CE1 4.1Å; F92-F158 AromaticContact CD1-CZ 3.89Å; F92-F158 HydrophobicContact CD1-CZ 3.89Å; F92-F158 AromaticContact CE1-CE1 3.7Å; F92-F158 HydrophobicContact CE1-CE1 3.7Å; F92-F158 AromaticContact CE1-CZ 3.98Å; F92-F158 HydrophobicContact CE1-CZ 3.98Å; I138-F158 HydrophobicContact CD1-CD1 3.91Å; I138-F158 HydrophobicContact CD1-CE1 3.88Å; M140-F158 HydrophobicContact CE-CB 4.46Å; M140-F158 HydrophobicContact CE-CD1 3.88Å; M140-F158 HydrophobicContact CE-CE1 4.36Å; M140-F158 HydrophobicContact CE-CG 4.15Å; V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.62Å; V154-F158 HydrophobicContact CG1-CG 4.43Å; V154-F158 HydrophobicContact CG1-CZ 4.32Å; V154-F158 WeakPolarHBondContact O-CB 3.29Å; V154-F158 WeakPolarHBondContact O-CD2 3.06Å; V154-F158 PolarHBondContact O-N 2.88Å; L155-F158 PolarHBondContact O-N 3.32Å; F158-A161 CarbonylContact O-C 3.57Å; F158-A161 PolarHBondContact O-N 3.03Å; F158-K162 PolarHBondContact O-N 2.96Å; F158-L163 HydrophobicContact CB-CB 4.24Å; F158-L163 HydrophobicContact CB-CD1 4.39Å; F158-L163 HydrophobicContact CD1-CB 4.04Å; F158-L163 HydrophobicContact CD1-CD1 3.55Å; F158-L163 HydrophobicContact CD1-CG 4.44Å; F158-L163 HydrophobicContact CE1-CD1 3.86Å; F158-L163 HydrophobicContact CG-CB 4.49Å; F158-L163 HydrophobicContact CG-CD1 3.95Å; F158-L163 WeakPolarHBondContact O-CB 3.42Å; F158-L163 PolarHBondContact O-N 3.17Å; F158-P165 HydrophobicContact CB-CB 3.83Å; F158-P165 HydrophobicContact CB-CG 3.79Å
159Q98.5Very high97.9Very high107 Ų10761.5 Ų61.550%0.531%0.308SS..Hα-helixtrans-68.3-43.8176.5-178.761.458.200110.6L155 E156 V157 A161 K162 P165L155-Q159 VanDerWaalsContact O-CB 3.23Å; L155-Q159 WeakPolarHBondContact O-CB 3.21Å; L155-Q159 PolarHBondContact O-N 2.88Å; E156-Q159 PolarHBondContact O-N 2.89Å; V157-Q159 VanDerWaalsContact C-N 3.31Å; V157-Q159 PolarHBondContact O-N 2.81Å; Q159-A161 VanDerWaalsContact C-N 3.26Å; Q159-A161 PolarHBondContact O-N 3.1Å; Q159-K162 PolarHBondContact O-N 3.23Å; Q159-P165 HydrophobicContact CB-CG 3.84Å
160K98.5Very high97.6Very high152 Ų15262.1 Ų62.166%0.66130%0.302SS*.Hα-helixtrans-61.9-35.4173.5-70.6173.2-174.9173.80111.9A12 E156 V157 K162A12-K160 HydrophobicContact CB-CB 4.44Å; E156-K160 WeakPolarHBondContact O-CG 3.37Å; E156-K160 PolarHBondContact O-N 3.07Å; V157-K160 PolarHBondContact O-N 3.36Å; K160-K162 PolarHBondContact O-N 3.13Å
161A98Very high97.4Very high6 Ų660.1 Ų60.15%0.0529%0.293CS..THydrogen-bonded Turntrans-75.11.5172.800000114.7M8 L9 A12 V157 F158 Q159 L163M8-A161 HydrophobicContact CB-CB 4.4Å; M8-A161 WeakPolarHBondContact CE-O 3.44Å; M8-A161 WeakPolarHBondContact O-CB 3.18Å; L9-A161 HydrophobicContact CD2-CB 3.92Å; A12-A161 HydrophobicContact CB-CB 3.89Å; V157-A161 PolarHBondContact O-N 3.02Å; F158-A161 CarbonylContact O-C 3.57Å; F158-A161 PolarHBondContact O-N 3.03Å; Q159-A161 VanDerWaalsContact C-N 3.26Å; Q159-A161 PolarHBondContact O-N 3.1Å; A161-L163 HydrophobicContact CB-CD1 3.99Å; A161-L163 HydrophobicContact CB-CG 4.16Å; A161-L163 PolarHBondContact O-N 3.32Å
162K97.1Very high97.2Very high158 Ų15865.9 Ų65.969%0.68732%0.315SS*.THydrogen-bonded Turntrans5829.8-178.8-53.7176-179176.30113.5M8 W120 F158 Q159 K160 N164M8-K162 HydrophobicContact CE-CB 4.27Å; M8-K162 WeakPolarHBondContact CE-O 3.39Å; W120-K162 WeakPolarHBondContact CZ2-O 3.39Å; F158-K162 PolarHBondContact O-N 2.96Å; Q159-K162 PolarHBondContact O-N 3.23Å; K160-K162 PolarHBondContact O-N 3.13Å; K162-N164 PolarHBondContact O-N 2.79Å
163L98Very high97.1Very high0 Ų064.4 Ų64.40%031%0.305CS..  trans-83.25176.2-71.8166.8000113.1I5 M8 L9 W120 I138 F158 A161I5-L163 HydrophobicContact CG1-CD1 4.42Å; I5-L163 HydrophobicContact CG1-CD2 4.13Å; I5-L163 HydrophobicContact CG2-CD1 4.29Å; M8-L163 HydrophobicContact CB-CD2 4.24Å; M8-L163 HydrophobicContact CB-CG 4.33Å; M8-L163 HydrophobicContact CE-CD2 3.7Å; M8-L163 HydrophobicContact CE-CG 4.02Å; M8-L163 HydrophobicContact SD-CD2 3.61Å; M8-L163 HydrophobicContact SD-CG 4.43Å; L9-L163 HydrophobicContact CD2-CD1 4.27Å; L9-L163 HydrophobicContact CG-CD1 4.26Å; W120-L163 PolarHBondContact NE1-O 2.9Å; I138-L163 HydrophobicContact CD1-CB 4.1Å; I138-L163 HydrophobicContact CD1-CD2 4.32Å; F158-L163 HydrophobicContact CB-CB 4.24Å; F158-L163 HydrophobicContact CB-CD1 4.39Å; F158-L163 HydrophobicContact CD1-CB 4.04Å; F158-L163 HydrophobicContact CD1-CD1 3.55Å; F158-L163 HydrophobicContact CD1-CG 4.44Å; F158-L163 HydrophobicContact CE1-CD1 3.86Å; F158-L163 HydrophobicContact CG-CB 4.49Å; F158-L163 HydrophobicContact CG-CD1 3.95Å; F158-L163 WeakPolarHBondContact O-CB 3.42Å; F158-L163 PolarHBondContact O-N 3.17Å; A161-L163 HydrophobicContact CB-CD1 3.99Å; A161-L163 HydrophobicContact CB-CG 4.16Å; A161-L163 PolarHBondContact O-N 3.32Å
164N98.1Very high97Very high59 Ų5959.1 Ų59.132%0.31628%0.284SS..  trans4859.6179.3-55.5-32.9000112.9W120 G136 S137 I138 K162W120-N164 WeakPolarHBondContact CZ2-ND2 3.43Å; G136-N164 VanDerWaalsContact O-CB 3.28Å; G136-N164 WeakPolarHBondContact O-CB 3.4Å; G136-N164 PolarHBondContact O-ND2 3.42Å; S137-N164 WeakPolarHBondContact CA-O 3.37Å; S137-N164 WeakPolarHBondContact CB-O 3.33Å; I138-N164 PolarHBondContact N-O 3.1Å; K162-N164 PolarHBondContact O-N 2.79Å
165P98.3Very high96.9Very high16 Ų1660.2 Ų60.210%0.10429%0.289CS..EExtended strand (participates in β ladder)trans-74.2146.7-178.833.6-36.7000111.8I138 M140 L155 F158 Q159I138-P165 CarbonylContact O-C 3.49Å; I138-P165 VanDerWaalsContact O-CA 3.25Å; I138-P165 WeakPolarHBondContact O-CA 3.4Å; M140-P165 HydrophobicContact CE-CB 3.86Å; L155-P165 HydrophobicContact CD2-CB 3.76Å; L155-P165 HydrophobicContact CD2-CG 4.5Å; L155-P165 VanDerWaalsContact O-CG 3.25Å; L155-P165 WeakPolarHBondContact O-CG 3.35Å; F158-P165 HydrophobicContact CB-CB 3.83Å; F158-P165 HydrophobicContact CB-CG 3.79Å; Q159-P165 HydrophobicContact CB-CG 3.84Å
166I98.2Very high96.9Very high82 Ų8259.7 Ų59.742%0.42129%0.286SS..EExtended strand (participates in β ladder)trans-132122.6177.7-59.8171.2000107.3I138 E139 M140 S168I138-I166 PolarHBondContact O-N 3.22Å; E139-I166 CarbonylContact C-O 3.5Å; E139-I166 WeakPolarHBondContact CA-O 3.37Å; E139-I166 HydrophobicContact CG-CB 4.34Å; M140-I166 PolarHBondContact N-O 3.3Å; I166-S168 PolarHBondContact O-N 2.84Å
167Y98.1Very high96.9Very high56 Ų5656.8 Ų56.822%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-74.7121.9166.2-166.8-103.5000108.9N142 K148 T151 L152 L155 N169N142-Y167 PolarHBondContact OD1-OH 3.11Å; K148-Y167 WeakPolarHBondContact CD-OH 3.4Å; K148-Y167 WeakPolarHBondContact CE-OH 3.21Å; T151-Y167 HydrophobicContact CG2-CD2 4.13Å; T151-Y167 HydrophobicContact CG2-CE2 3.9Å; L152-Y167 HydrophobicContact CD2-CD2 4.17Å; L152-Y167 HydrophobicContact CD2-CE2 4.41Å; L152-Y167 HydrophobicContact CD2-CG 4.47Å; L155-Y167 HydrophobicContact CD1-CD2 3.85Å; L155-Y167 HydrophobicContact CD1-CG 4.08Å; Y167-N169 WeakPolarHBondContact CE1-OD1 3.45Å
168S95.2Very high96.8Very high22 Ų2257.1 Ų57.115%0.15427%0.269CS..  trans-120.6132.6178.21730000109M140 E141 I166 N170M140-S168 PolarHBondContact O-N 2.81Å; M140-S168 VanDerWaalsContact O-N 3.15Å; E141-S168 VanDerWaalsContact CB-O 3.25Å; E141-S168 WeakPolarHBondContact CB-O 3.35Å; E141-S168 VanDerWaalsContact CG-O 3.23Å; E141-S168 WeakPolarHBondContact CG-O 3.28Å; I166-S168 PolarHBondContact O-N 2.84Å; S168-N170 PolarHBondContact O-N 3.41Å; S168-N170 PolarHBondContact OG-N 3.47Å
169N92.8Very high96.8Very high120 Ų12057.1 Ų57.164%0.64227%0.269SS*.THydrogen-bonded Turntrans-85.316173.5-57.6-69.1000112E141 Y167E141-N169 VanDerWaalsContact OE1-CA 3.28Å; E141-N169 WeakPolarHBondContact OE1-CA 3.05Å; Y167-N169 WeakPolarHBondContact CE1-OD1 3.45Å
170N91.6Very high96.8Very high82 Ų8252 Ų5244%0.43925%0.245SC..THydrogen-bonded Turntrans-14938.9-175.7-158.45.8000111.5E141 S168 R172 Y173 S174E141-N170 PolarHBondContact OE2-N 3.39Å; S168-N170 PolarHBondContact O-N 3.41Å; S168-N170 PolarHBondContact OG-N 3.47Å; N170-R172 PolarHBondContact O-N 2.95Å; N170-Y173 WeakPolarHBondContact ND2-CB 3.42Å; N170-Y173 WeakPolarHBondContact O-CB 3.43Å; N170-Y173 PolarHBondContact O-N 3.45Å; N170-Y173 VanDerWaalsContact O-N 3.1Å; N170-Y173 WeakPolarHBondContact OD1-CB 3.34Å; N170-Y173 PolarHBondContact OD1-N 3.19Å; N170-S174 PolarHBondContact O-N 3.39Å
171V94.4Very high96.8Very high1 Ų146.4 Ų46.41%0.00622%0.222CC..Hα-helixtrans-61.4-30.6178.8163.40000111.2F115 E139 E141 Y173 S174 I175F115-V171 HydrophobicContact CB-CG1 3.88Å; E139-V171 HydrophobicContact CB-CG2 4.28Å; E141-V171 HydrophobicContact CB-CB 3.72Å; E141-V171 HydrophobicContact CB-CG2 3.48Å; E141-V171 VanDerWaalsContact CB-CG2 3.48Å; E141-V171 WeakPolarHBondContact OE2-CB 3.31Å; E141-V171 PolarHBondContact OE2-N 3.01Å; V171-Y173 VanDerWaalsContact C-N 3.33Å; V171-Y173 PolarHBondContact O-N 3.41Å; V171-S174 CarbonylContact O-C 3.48Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 2.99Å; V171-S174 VanDerWaalsContact O-N 3.08Å; V171-I175 HydrophobicContact CG1-CD1 3.7Å; V171-I175 HydrophobicContact CG1-CG1 4.02Å; V171-I175 WeakPolarHBondContact O-CG1 3.21Å; V171-I175 PolarHBondContact O-N 3.32Å
172R95Very high96.8Very high121 Ų12147.3 Ų47.346%0.45723%0.226SC..Hα-helixtrans-58.5-43174.1-71.3-177.2169.7174.7-5.5112.1E101 N170 I175 W176 I225E101-R172 IonicContact OE2-NH2 2.7Å; E101-R172 PolarHBondContact OE2-NH2 3.27Å; N170-R172 PolarHBondContact O-N 2.95Å; R172-I175 PolarHBondContact O-N 3.44Å; R172-W176 VanDerWaalsContact O-CD1 3.3Å; R172-W176 PolarHBondContact O-N 3.22Å; R172-I225 HydrophobicContact CB-CD1 3.64Å; R172-I225 HydrophobicContact CB-CG1 4.48Å
173Y96.4Very high96.8Very high42 Ų4239.8 Ų39.817%0.16519%0.193CC..Hα-helixtrans-60.4-45.5172.1171.7-87.5000111.4N170 V171 I175 W176 K177 I225 E226 L227N170-Y173 WeakPolarHBondContact ND2-CB 3.42Å; N170-Y173 WeakPolarHBondContact O-CB 3.43Å; N170-Y173 PolarHBondContact O-N 3.45Å; N170-Y173 VanDerWaalsContact O-N 3.1Å; N170-Y173 WeakPolarHBondContact OD1-CB 3.34Å; N170-Y173 PolarHBondContact OD1-N 3.19Å; V171-Y173 VanDerWaalsContact C-N 3.33Å; V171-Y173 PolarHBondContact O-N 3.41Å; Y173-I175 VanDerWaalsContact C-N 3.35Å; Y173-I175 PolarHBondContact O-N 2.83Å; Y173-W176 PolarHBondContact O-N 2.88Å; Y173-K177 HydrophobicContact CE1-CB 4.32Å; Y173-K177 HydrophobicContact CE1-CD 3.79Å; Y173-K177 VanDerWaalsContact O-CB 3.28Å; Y173-K177 WeakPolarHBondContact O-CB 3.25Å; Y173-K177 PolarHBondContact O-N 2.59Å; Y173-I225 HydrophobicContact CD2-CG2 4.26Å; Y173-E226 WeakPolarHBondContact CE2-O 3.38Å; Y173-L227 HydrophobicContact CD2-CD2 4.01Å; Y173-L227 HydrophobicContact CE2-CD2 3.89Å
174S96.2Very high96.8Very high20 Ų2039.8 Ų39.814%0.1419%0.193CC..Hα-helixtrans-61.7-40.7179.1-61.10000112.5E139 N170 V171 K178E139-S174 VanDerWaalsContact OE2-CB 3.23Å; E139-S174 WeakPolarHBondContact OE2-CB 3.34Å; E139-S174 PolarHBondContact OE2-OG 3.06Å; N170-S174 PolarHBondContact O-N 3.39Å; V171-S174 CarbonylContact O-C 3.48Å; V171-S174 WeakPolarHBondContact O-CB 3.44Å; V171-S174 PolarHBondContact O-N 2.99Å; V171-S174 VanDerWaalsContact O-N 3.08Å; S174-K178 VanDerWaalsContact O-CB 3.27Å; S174-K178 WeakPolarHBondContact O-CB 3.25Å; S174-K178 PolarHBondContact O-N 3.06Å
175I97.4Very high96.8Very high27 Ų2737.2 Ų37.214%0.13818%0.18CC..Hα-helixtrans-61.4-50.3174.3-71.5171.6000110.5L98 F115 T117 V171 R172 Y173 K178 A179L98-I175 HydrophobicContact CD2-CG2 3.84Å; F115-I175 HydrophobicContact CB-CD1 3.94Å; F115-I175 HydrophobicContact CD1-CD1 4.26Å; F115-I175 HydrophobicContact CG-CD1 4.21Å; T117-I175 HydrophobicContact CG2-CB 4.44Å; T117-I175 HydrophobicContact CG2-CG1 3.65Å; V171-I175 HydrophobicContact CG1-CD1 3.7Å; V171-I175 HydrophobicContact CG1-CG1 4.02Å; V171-I175 WeakPolarHBondContact O-CG1 3.21Å; V171-I175 PolarHBondContact O-N 3.32Å; R172-I175 PolarHBondContact O-N 3.44Å; Y173-I175 VanDerWaalsContact C-N 3.35Å; Y173-I175 PolarHBondContact O-N 2.83Å; I175-K178 PolarHBondContact O-N 2.65Å; I175-A179 VanDerWaalsContact O-CB 3.29Å; I175-A179 WeakPolarHBondContact O-CB 3.22Å; I175-A179 PolarHBondContact O-N 3.07Å
176W98.1Very high96.8Very high15 Ų1536.8 Ų36.86%0.05718%0.176CC..Hα-helixtrans-64-41.2179.1-8996.5000112.7L98 R172 Y173 A179 C180 F216 V219 A220 E223 I225 L227 V272 K275L98-W176 HydrophobicContact CD1-CD2 4.35Å; L98-W176 HydrophobicContact CD1-CE3 4.03Å; L98-W176 HydrophobicContact CD1-CH2 3.63Å; L98-W176 HydrophobicContact CD1-CZ2 3.95Å; L98-W176 HydrophobicContact CD1-CZ3 3.68Å; L98-W176 HydrophobicContact CD2-CD2 4.02Å; L98-W176 HydrophobicContact CD2-CE3 4.42Å; L98-W176 HydrophobicContact CD2-CG 4.31Å; L98-W176 HydrophobicContact CD2-CZ2 4.37Å; R172-W176 VanDerWaalsContact O-CD1 3.3Å; R172-W176 PolarHBondContact O-N 3.22Å; Y173-W176 PolarHBondContact O-N 2.88Å; W176-A179 PolarHBondContact O-N 3.45Å; W176-C180 VanDerWaalsContact O-CB 3.29Å; W176-C180 WeakPolarHBondContact O-CB 3.23Å; W176-C180 PolarHBondContact O-N 2.9Å; W176-F216 HydrophobicContact CE3-CD1 4.42Å; W176-F216 HydrophobicContact CZ3-CD1 4.42Å; W176-V219 HydrophobicContact CH2-CB 4.4Å; W176-V219 HydrophobicContact CH2-CG1 3.8Å; W176-V219 HydrophobicContact CZ3-CG1 4.38Å; W176-A220 HydrophobicContact CD2-CB 3.88Å; W176-A220 HydrophobicContact CE3-CB 3.55Å; W176-A220 HydrophobicContact CG-CB 4.42Å; W176-A220 HydrophobicContact CZ3-CB 3.9Å; W176-E223 HydrophobicContact CH2-CG 4.25Å; W176-E223 HydrophobicContact CZ2-CB 3.97Å; W176-E223 HydrophobicContact CZ2-CG 3.68Å; W176-I225 HydrophobicContact CB-CG2 4.03Å; W176-I225 HydrophobicContact CG-CB 4.44Å; W176-I225 HydrophobicContact CG-CG1 4.44Å; W176-I225 HydrophobicContact CG-CG2 4.17Å; W176-L227 HydrophobicContact CB-CD1 4.29Å; W176-L227 HydrophobicContact CB-CD2 4.05Å; W176-L227 HydrophobicContact CB-CG 4.44Å; W176-L227 HydrophobicContact CE3-CD1 4.5Å; W176-V272 HydrophobicContact CZ3-CG2 4.02Å; W176-K275 HydrophobicContact CH2-CD 4.07Å; W176-K275 HydrophobicContact CZ2-CD 4.12Å
177K97.7Very high96.7Very high59 Ų5932.9 Ų32.926%0.25716%0.156SC..Hα-helixtrans-61.1-46.3174.5178.6172.9-179.2179.50111Y173 C180 I181 L227 V232Y173-K177 HydrophobicContact CE1-CB 4.32Å; Y173-K177 HydrophobicContact CE1-CD 3.79Å; Y173-K177 VanDerWaalsContact O-CB 3.28Å; Y173-K177 WeakPolarHBondContact O-CB 3.25Å; Y173-K177 PolarHBondContact O-N 2.59Å; K177-C180 WeakPolarHBondContact O-CB 3.48Å; K177-C180 PolarHBondContact O-N 3.44Å; K177-I181 HydrophobicContact CG-CD1 4.11Å; K177-I181 WeakPolarHBondContact O-CG1 3.39Å; K177-I181 PolarHBondContact O-N 3Å; K177-L227 HydrophobicContact CB-CD2 4.19Å; K177-V232 HydrophobicContact CG-CG2 4.29Å
178K96.8Very high96.8Very high53 Ų5331 Ų3123%0.2315%0.15CC..Hα-helixtrans-66.1-41.3177.8-170.7174.6-175.5-1760112N96 T117 T118 S174 I175 C180 I181 N182N96-K178 WeakPolarHBondContact OD1-CE 3.49Å; N96-K178 PolarHBondContact OD1-NZ 3.46Å; T117-K178 HydrophobicContact CG2-CD 4.34Å; T118-K178 PolarHBondContact O-NZ 3.07Å; S174-K178 VanDerWaalsContact O-CB 3.27Å; S174-K178 WeakPolarHBondContact O-CB 3.25Å; S174-K178 PolarHBondContact O-N 3.06Å; I175-K178 PolarHBondContact O-N 2.65Å; K178-C180 VanDerWaalsContact C-N 3.3Å; K178-C180 PolarHBondContact O-N 2.94Å; K178-I181 PolarHBondContact O-N 3.1Å; K178-N182 WeakPolarHBondContact O-CB 3.23Å; K178-N182 PolarHBondContact O-N 3.35Å
179A98.2Very high96.9Very high1 Ų130 Ų301%0.00814%0.143CC..Hα-helixtrans-62.5-38.4174.400000111.4L98 I175 W176 G183 F216 I268L98-A179 HydrophobicContact CD1-CB 4.34Å; L98-A179 HydrophobicContact CD2-CB 3.82Å; L98-A179 HydrophobicContact CG-CB 3.94Å; I175-A179 VanDerWaalsContact O-CB 3.29Å; I175-A179 WeakPolarHBondContact O-CB 3.22Å; I175-A179 PolarHBondContact O-N 3.07Å; W176-A179 PolarHBondContact O-N 3.45Å; A179-G183 WeakPolarHBondContact O-CA 3.4Å; A179-G183 PolarHBondContact O-N 3.39Å; A179-F216 VanDerWaalsContact C-CE1 3.43Å; A179-F216 HydrophobicContact CB-CE1 4.13Å; A179-F216 VanDerWaalsContact O-CE1 3.3Å; A179-F216 WeakPolarHBondContact O-CE1 3.28Å; A179-F216 WeakPolarHBondContact O-CZ 3.49Å; A179-I268 WeakPolarHBondContact O-CG2 3.34Å
180C98.6Very high97.2Very high0 Ų024.3 Ų24.30%011%0.113CC..Hα-helixtrans-65.7-49.9175.5-173.90000112W176 K177 K178 N182 G183 T184 F216 L227 V232W176-C180 VanDerWaalsContact O-CB 3.29Å; W176-C180 WeakPolarHBondContact O-CB 3.23Å; W176-C180 PolarHBondContact O-N 2.9Å; K177-C180 WeakPolarHBondContact O-CB 3.48Å; K177-C180 PolarHBondContact O-N 3.44Å; K178-C180 VanDerWaalsContact C-N 3.3Å; K178-C180 PolarHBondContact O-N 2.94Å; C180-N182 VanDerWaalsContact C-N 3.35Å; C180-N182 PolarHBondContact O-N 3.1Å; C180-G183 PolarHBondContact O-N 3.1Å; C180-G183 VanDerWaalsContact O-N 3.11Å; C180-T184 PolarHBondContact O-N 3.15Å; C180-T184 PolarHBondContact O-OG1 2.7Å; C180-T184 VanDerWaalsContact O-OG1 3.11Å; C180-F216 VanDerWaalsContact CA-CD1 3.41Å; C180-F216 HydrophobicContact CB-CB 3.98Å; C180-F216 HydrophobicContact CB-CD1 3.61Å; C180-F216 HydrophobicContact CB-CE1 4.24Å; C180-F216 HydrophobicContact CB-CG 3.82Å; C180-F216 WeakPolarHBondContact SG-CB 3.44Å; C180-L227 HydrophobicContact CB-CD1 4.35Å; C180-V232 HydrophobicContact CB-CG1 4.31Å
181I97.9Very high97.5Very high35 Ų3523.2 Ų23.218%0.17911%0.106CC..Hα-helixtrans-56.9-49.3176.3-67.1166000110.7K177 K178 G183 T184 L185 V232 A235 I236K177-I181 HydrophobicContact CG-CD1 4.11Å; K177-I181 WeakPolarHBondContact O-CG1 3.39Å; K177-I181 PolarHBondContact O-N 3Å; K178-I181 PolarHBondContact O-N 3.1Å; I181-G183 VanDerWaalsContact C-N 3.35Å; I181-G183 PolarHBondContact O-N 3.29Å; I181-T184 PolarHBondContact O-N 3.05Å; I181-L185 HydrophobicContact CG2-CD1 4.11Å; I181-L185 PolarHBondContact O-N 3.2Å; I181-V232 HydrophobicContact CG1-CG1 4.42Å; I181-A235 HydrophobicContact CD1-CB 4.3Å; I181-I236 HydrophobicContact CB-CG1 4.33Å; I181-I236 HydrophobicContact CG1-CD1 4.44Å; I181-I236 HydrophobicContact CG1-CG1 3.85Å; I181-I236 HydrophobicContact CG2-CG1 4.28Å
182N97.9Very high97.7Very high24 Ų2427 Ų2713%0.12813%0.126CC..Hα-helixtrans-63-42.1176.3-75-11.6000111.3K178 C180 T184 N186 I268K178-N182 WeakPolarHBondContact O-CB 3.23Å; K178-N182 PolarHBondContact O-N 3.35Å; C180-N182 VanDerWaalsContact C-N 3.35Å; C180-N182 PolarHBondContact O-N 3.1Å; N182-T184 PolarHBondContact O-N 3.29Å; N182-N186 WeakPolarHBondContact O-CA 3.35Å; N182-N186 WeakPolarHBondContact O-CB 3.48Å; N182-N186 VanDerWaalsContact O-CG 3.28Å; N182-N186 PolarHBondContact O-N 3.36Å; N182-I268 HydrophobicContact CB-CD1 4.13Å; N182-I268 HydrophobicContact CB-CG2 4.37Å
183G98.2Very high97.8Very high0 Ų025.9 Ų25.90%013%0.129CC..Hα-helixtrans-66.7-26-178.700000113.6A179 C180 I181 N269A179-G183 WeakPolarHBondContact O-CA 3.4Å; A179-G183 PolarHBondContact O-N 3.39Å; C180-G183 PolarHBondContact O-N 3.1Å; C180-G183 VanDerWaalsContact O-N 3.11Å; I181-G183 VanDerWaalsContact C-N 3.35Å; I181-G183 PolarHBondContact O-N 3.29Å; G183-N269 VanDerWaalsContact CA-OD1 3.27Å; G183-N269 WeakPolarHBondContact CA-OD1 3.37Å; G183-N269 PolarHBondContact O-ND2 3.27Å; G183-N269 PolarHBondContact O-OD1 3.36Å
184T98.4Very high97.9Very high0 Ų024.5 Ų24.50%013%0.125CC..Hα-helixtrans-80.9-62.6170.3-54.60000110.9C180 I181 N182 L188 I209 I212 I236C180-T184 PolarHBondContact O-N 3.15Å; C180-T184 PolarHBondContact O-OG1 2.7Å; C180-T184 VanDerWaalsContact O-OG1 3.11Å; I181-T184 PolarHBondContact O-N 3.05Å; N182-T184 PolarHBondContact O-N 3.29Å; T184-L188 HydrophobicContact CG2-CD1 4.11Å; T184-L188 WeakPolarHBondContact O-CB 3.37Å; T184-L188 VanDerWaalsContact O-CD1 3.27Å; T184-L188 WeakPolarHBondContact O-CD1 3.26Å; T184-L188 WeakPolarHBondContact O-CG 3.32Å; T184-L188 PolarHBondContact O-N 2.96Å; T184-I209 HydrophobicContact CG2-CB 4.2Å; T184-I209 HydrophobicContact CG2-CG1 3.91Å; T184-I209 HydrophobicContact CG2-CG2 4.26Å; T184-I212 WeakPolarHBondContact OG1-CG2 3.45Å; T184-I236 HydrophobicContact CG2-CD1 4.12Å
185L98.3Very high98Very high6 Ų624.2 Ų24.23%0.03112%0.122CC..Hα-helixtrans-73.9-43.7-169.4-69.6176.4000113.1I181 G187 C189 F199 I236 T239 Y240I181-L185 HydrophobicContact CG2-CD1 4.11Å; I181-L185 PolarHBondContact O-N 3.2Å; L185-G187 PolarHBondContact O-N 3.33Å; L185-C189 VanDerWaalsContact O-CB 3.23Å; L185-C189 WeakPolarHBondContact O-CB 3.35Å; L185-C189 PolarHBondContact O-N 2.88Å; L185-C189 PolarHBondContact O-SG 2.9Å; L185-F199 HydrophobicContact CD2-CD1 3.77Å; L185-F199 HydrophobicContact CD2-CE1 3.91Å; L185-I236 HydrophobicContact CD1-CG2 4.17Å; L185-I236 HydrophobicContact CD2-CG2 3.85Å; L185-I236 HydrophobicContact CG-CG2 3.99Å; L185-T239 HydrophobicContact CD1-CG2 4.49Å; L185-Y240 HydrophobicContact CD2-CE1 4.27Å
186N97.7Very high98Very high6 Ų623.5 Ų23.53%0.03212%0.119CC..Hα-helixtrans-63.4-50.4-170.9-67.65.7000111.3N182 T190 P250 S251 M252N182-N186 WeakPolarHBondContact O-CA 3.35Å; N182-N186 WeakPolarHBondContact O-CB 3.48Å; N182-N186 VanDerWaalsContact O-CG 3.28Å; N182-N186 PolarHBondContact O-N 3.36Å; N186-T190 WeakPolarHBondContact O-CB 3.27Å; N186-T190 PolarHBondContact O-N 2.86Å; N186-T190 VanDerWaalsContact O-N 3.13Å; N186-T190 PolarHBondContact O-OG1 3.25Å; N186-P250 HydrophobicContact CB-CB 4.31Å; N186-P250 WeakPolarHBondContact OD1-CB 3.43Å; N186-S251 PolarHBondContact ND2-OG 3.09Å; N186-M252 HydrophobicContact CB-CB 3.67Å; N186-M252 HydrophobicContact CB-CE 4.15Å; N186-M252 HydrophobicContact CB-SD 4.3Å
187G96.9Very high98.1Very high0 Ų023.8 Ų23.80%012%0.124CC..Hα-helixtrans-68-44.7-178.200000112.2L185 T190 I191L185-G187 PolarHBondContact O-N 3.33Å; G187-T190 PolarHBondContact O-N 2.78Å; G187-I191 PolarHBondContact O-N 2.88Å
188L98.5Very high98.1Very high17 Ų1725.2 Ų25.29%0.08913%0.132CC..Hα-helixtrans-64.4-51-178.3-68.1172.6000111.9T184 T190 I191 L192 F199 F208 I212 L289T184-L188 HydrophobicContact CG2-CD1 4.11Å; T184-L188 WeakPolarHBondContact O-CB 3.37Å; T184-L188 VanDerWaalsContact O-CD1 3.27Å; T184-L188 WeakPolarHBondContact O-CD1 3.26Å; T184-L188 WeakPolarHBondContact O-CG 3.32Å; T184-L188 PolarHBondContact O-N 2.96Å; L188-T190 PolarHBondContact O-N 3.18Å; L188-I191 PolarHBondContact O-N 2.6Å; L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.31Å; L188-L192 PolarHBondContact O-N 2.95Å; L188-F199 HydrophobicContact CB-CD2 4.23Å; L188-F199 HydrophobicContact CB-CE2 3.84Å; L188-F199 HydrophobicContact CB-CZ 4.43Å; L188-F199 HydrophobicContact CD1-CE2 3.61Å; L188-F199 HydrophobicContact CD1-CZ 3.52Å; L188-F199 HydrophobicContact CG-CE2 4.29Å; L188-F208 HydrophobicContact CD1-CB 3.74Å; L188-F208 HydrophobicContact CD1-CG 4.3Å; L188-F208 HydrophobicContact CD2-CD1 4.42Å; L188-F208 HydrophobicContact CD2-CG 4.35Å; L188-I212 HydrophobicContact CD1-CD1 3.8Å; L188-I212 HydrophobicContact CD2-CD1 4.27Å; L188-I212 HydrophobicContact CG-CD1 4.06Å; L188-L289 HydrophobicContact CG-CD2 4.49Å
189C98.7Very high98.2Very high0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-61.9-34.2178.1-62.70000112L185 D193 C194 P250L185-C189 VanDerWaalsContact O-CB 3.23Å; L185-C189 WeakPolarHBondContact O-CB 3.35Å; L185-C189 PolarHBondContact O-N 2.88Å; L185-C189 PolarHBondContact O-SG 2.9Å; C189-D193 PolarHBondContact O-N 3.31Å; C189-C194 WeakPolarHBondContact CB-O 3.36Å; C189-C194 PolarHBondContact O-N 3.21Å; C189-C194 VanDerWaalsContact O-N 3.1Å; C189-P250 HydrophobicContact CB-CG 3.76Å
190T98.4Very high98.2Very high1 Ų123.8 Ų23.81%0.00613%0.132CC..Hα-helixtrans-66.9-44.8177.8-60.90000112.3N186 G187 L188 M252 Y253 L256 I257 I293N186-T190 WeakPolarHBondContact O-CB 3.27Å; N186-T190 PolarHBondContact O-N 2.86Å; N186-T190 VanDerWaalsContact O-N 3.13Å; N186-T190 PolarHBondContact O-OG1 3.25Å; G187-T190 PolarHBondContact O-N 2.78Å; L188-T190 PolarHBondContact O-N 3.18Å; T190-M252 HydrophobicContact CG2-CG 4.37Å; T190-Y253 WeakPolarHBondContact OG1-CA 3.4Å; T190-Y253 PolarHBondContact OG1-N 3.19Å; T190-L256 HydrophobicContact CG2-CB 4.24Å; T190-L256 HydrophobicContact CG2-CD2 3.86Å; T190-L256 HydrophobicContact CG2-CG 4.44Å; T190-I257 HydrophobicContact CG2-CD1 4.15Å; T190-I257 HydrophobicContact CG2-CG1 4.02Å; T190-I293 HydrophobicContact CG2-CD1 3.59Å
191I98.2Very high98.1Very high59 Ų5928.3 Ų28.330%0.30316%0.164SC..Hα-helixtrans-75.6-35.9-179.8-66.3-58.9000111.8G187 L188 D193 L289 L292 I293 K296G187-I191 PolarHBondContact O-N 2.88Å; L188-I191 PolarHBondContact O-N 2.6Å; I191-D193 PolarHBondContact O-N 2.89Å; I191-L289 HydrophobicContact CG1-CD1 4.26Å; I191-L292 HydrophobicContact CD1-CB 3.97Å; I191-L292 HydrophobicContact CG1-CB 4.13Å; I191-L292 HydrophobicContact CG2-CD1 4.37Å; I191-I293 HydrophobicContact CD1-CD1 3.7Å; I191-I293 HydrophobicContact CD1-CG1 4.28Å; I191-I293 HydrophobicContact CG1-CD1 3.75Å; I191-I293 HydrophobicContact CG1-CG1 4.29Å; I191-K296 HydrophobicContact CD1-CB 4.1Å; I191-K296 HydrophobicContact CD1-CG 4.47Å
192L98.1Very high98.2Very high81 Ų8130 Ų3042%0.42417%0.172SC..Hα-helixtrans-80.5-3.5178.7-65.3172.1000113.7L188 C194 F199 L202L188-L192 VanDerWaalsContact O-CB 3.28Å; L188-L192 WeakPolarHBondContact O-CB 3.34Å; L188-L192 VanDerWaalsContact O-CG 3.3Å; L188-L192 WeakPolarHBondContact O-CG 3.31Å; L188-L192 PolarHBondContact O-N 2.95Å; L192-C194 PolarHBondContact O-N 3Å; L192-F199 HydrophobicContact CD1-CD2 3.99Å; L192-F199 HydrophobicContact CD1-CE2 4.3Å; L192-L202 HydrophobicContact CD1-CD1 3.94Å
193D97.8Very high98.2Very high97 Ų9734.6 Ų34.652%0.51921%0.207SC..THydrogen-bonded Turntrans52.749.4-178.8-166.626.2000113.5C189 I191 Y253C189-D193 PolarHBondContact O-N 3.31Å; I191-D193 PolarHBondContact O-N 2.89Å; D193-Y253 WeakPolarHBondContact OD1-CE2 3.39Å; D193-Y253 VanDerWaalsContact OD1-CZ 3.26Å; D193-Y253 PolarHBondContact OD1-OH 3.03Å
194C98.2Very high98.2Very high13 Ų1337.7 Ų37.79%0.08823%0.226CC..  trans-138.7164.1-174.369.30000113.4C189 L192 E198 F249C189-C194 WeakPolarHBondContact CB-O 3.36Å; C189-C194 PolarHBondContact O-N 3.21Å; C189-C194 VanDerWaalsContact O-N 3.1Å; L192-C194 PolarHBondContact O-N 3Å; C194-E198 WeakPolarHBondContact CA-OE2 3.42Å; C194-E198 HydrophobicContact CB-CB 3.81Å; C194-E198 WeakPolarHBondContact CB-OE2 3.46Å; C194-F249 VanDerWaalsContact C-CE1 3.4Å; C194-F249 WeakPolarHBondContact O-CD1 3.41Å
195N98.3Very high98.1Very high15 Ų1537.9 Ų37.98%0.0823%0.227CC..  trans-84.1173.3169.467.756000111.9A197 E198 F199 G246 F249N195-A197 PolarHBondContact O-N 3.48Å; N195-A197 PolarHBondContact OD1-N 3.45Å; N195-A197 VanDerWaalsContact OD1-N 3.1Å; N195-E198 VanDerWaalsContact CG-OE2 3.31Å; N195-E198 PolarHBondContact N-OE2 3.47Å; N195-E198 PolarHBondContact ND2-OE1 2.6Å; N195-E198 PolarHBondContact ND2-OE2 3.4Å; N195-E198 VanDerWaalsContact ND2-OE2 3.07Å; N195-E198 PolarHBondContact O-N 3.36Å; N195-E198 WeakPolarHBondContact OD1-CG 3Å; N195-E198 PolarHBondContact OD1-N 2.88Å; N195-F199 PolarHBondContact O-N 2.92Å; N195-G246 PolarHBondContact OD1-O 3.11Å; N195-F249 HydrophobicContact CB-CD1 4.25Å; N195-F249 HydrophobicContact CB-CD2 4.06Å; N195-F249 HydrophobicContact CB-CE1 4.12Å; N195-F249 HydrophobicContact CB-CE2 3.91Å; N195-F249 HydrophobicContact CB-CG 4.27Å; N195-F249 HydrophobicContact CB-CZ 3.95Å
196I98.1Very high98.1Very high12 Ų1242.4 Ų42.46%0.06224%0.244CC..Hα-helixtrans-62.5-39.8-174.9-68.3170.9000112.5F199 G200 T239 Y240 G246 H248 P250I196-F199 PolarHBondContact O-N 2.94Å; I196-G200 PolarHBondContact O-N 3.01Å; I196-T239 WeakPolarHBondContact CG2-O 3.32Å; I196-T239 VanDerWaalsContact CG2-OG1 3.26Å; I196-T239 WeakPolarHBondContact CG2-OG1 3.44Å; I196-Y240 HydrophobicContact CG2-CD1 3.71Å; I196-Y240 HydrophobicContact CG2-CE1 4.23Å; I196-G246 PolarHBondContact N-O 2.89Å; I196-H248 WeakPolarHBondContact CG1-O 3.39Å; I196-H248 PolarHBondContact N-O 3.17Å; I196-P250 HydrophobicContact CD1-CG 4.2Å; I196-P250 HydrophobicContact CG1-CG 3.85Å
197A98.3Very high98.2Very high20 Ų2046.9 Ų46.917%0.16527%0.268CS..Hα-helixtrans-71.2-40.4179.400000111.9N195 F199 G200 S201 V242 G246N195-A197 PolarHBondContact O-N 3.48Å; N195-A197 PolarHBondContact OD1-N 3.45Å; N195-A197 VanDerWaalsContact OD1-N 3.1Å; A197-F199 VanDerWaalsContact C-N 3.35Å; A197-G200 PolarHBondContact O-N 3.48Å; A197-S201 PolarHBondContact O-N 3.47Å; A197-V242 HydrophobicContact CB-CG1 3.92Å; A197-G246 VanDerWaalsContact CB-O 3.29Å; A197-G246 WeakPolarHBondContact CB-O 3.27Å; A197-G246 PolarHBondContact N-O 3.28Å
198E98.6Very high98.2Very high90 Ų9050.1 Ų50.142%0.42128%0.282SS..Hα-helixtrans-59.8-46.3173.1-74.6168.2163.600110.7C194 N195 G200 S201C194-E198 WeakPolarHBondContact CA-OE2 3.42Å; C194-E198 HydrophobicContact CB-CB 3.81Å; C194-E198 WeakPolarHBondContact CB-OE2 3.46Å; N195-E198 VanDerWaalsContact CG-OE2 3.31Å; N195-E198 PolarHBondContact N-OE2 3.47Å; N195-E198 PolarHBondContact ND2-OE1 2.6Å; N195-E198 PolarHBondContact ND2-OE2 3.4Å; N195-E198 VanDerWaalsContact ND2-OE2 3.07Å; N195-E198 PolarHBondContact O-N 3.36Å; N195-E198 WeakPolarHBondContact OD1-CG 3Å; N195-E198 PolarHBondContact OD1-N 2.88Å; E198-G200 PolarHBondContact O-N 3.09Å; E198-S201 PolarHBondContact O-N 3.12Å; E198-S201 PolarHBondContact O-OG 3.17Å
199F98.6Very high98.2Very high0 Ų049.3 Ų49.30%028%0.277CS..Hα-helixtrans-56.3-49.6172.3174-100.2000111.6L185 L188 L192 N195 I196 A197 S201 L202 A205 F208 I209 Y240L185-F199 HydrophobicContact CD2-CD1 3.77Å; L185-F199 HydrophobicContact CD2-CE1 3.91Å; L188-F199 HydrophobicContact CB-CD2 4.23Å; L188-F199 HydrophobicContact CB-CE2 3.84Å; L188-F199 HydrophobicContact CB-CZ 4.43Å; L188-F199 HydrophobicContact CD1-CE2 3.61Å; L188-F199 HydrophobicContact CD1-CZ 3.52Å; L188-F199 HydrophobicContact CG-CE2 4.29Å; L192-F199 HydrophobicContact CD1-CD2 3.99Å; L192-F199 HydrophobicContact CD1-CE2 4.3Å; N195-F199 PolarHBondContact O-N 2.92Å; I196-F199 PolarHBondContact O-N 2.94Å; A197-F199 VanDerWaalsContact C-N 3.35Å; F199-S201 PolarHBondContact O-N 2.96Å; F199-L202 HydrophobicContact CD2-CD1 4.14Å; F199-L202 WeakPolarHBondContact O-CB 3.02Å; F199-L202 WeakPolarHBondContact O-CG 3.4Å; F199-L202 PolarHBondContact O-N 3.18Å; F199-L202 VanDerWaalsContact O-N 3.09Å; F199-A205 HydrophobicContact CE1-CB 4.1Å; F199-A205 HydrophobicContact CZ-CB 4.1Å; F199-A205 WeakPolarHBondContact O-CB 3.37Å; F199-F208 HydrophobicContact CE2-CD2 4.21Å; F199-F208 HydrophobicContact CZ-CB 4.31Å; F199-I209 HydrophobicContact CE1-CD1 4.17Å; F199-I209 HydrophobicContact CE1-CG1 4.04Å; F199-I209 HydrophobicContact CZ-CG1 4.21Å; F199-Y240 HydrophobicContact CD1-CE1 4.12Å; F199-Y240 WeakPolarHBondContact CE1-OH 3.3Å
200G97.9Very high98.2Very high23 Ų2353 Ų5324%0.23730%0.295CS..Hα-helixtrans-61.8-22179.100000114.6I196 A197 E198 L202 Y240I196-G200 PolarHBondContact O-N 3.01Å; A197-G200 PolarHBondContact O-N 3.48Å; E198-G200 PolarHBondContact O-N 3.09Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-Y240 VanDerWaalsContact CA-CE2 3.49Å
201S98.1Very high98.2Very high96 Ų9655.2 Ų55.267%0.67131%0.309SS*.THydrogen-bonded Turntrans-80.9-11.5176.878.20000114.3A197 E198 F199A197-S201 PolarHBondContact O-N 3.47Å; E198-S201 PolarHBondContact O-N 3.12Å; E198-S201 PolarHBondContact O-OG 3.17Å; F199-S201 PolarHBondContact O-N 2.96Å
202L98.5Very high98.2Very high69 Ų6952.6 Ų52.636%0.36130%0.295SS..SBendtrans-72.7134.9179.8-57.9174.4000110.9L192 F199 G200 V204 A205L192-L202 HydrophobicContact CD1-CD1 3.94Å; F199-L202 HydrophobicContact CD2-CD1 4.14Å; F199-L202 WeakPolarHBondContact O-CB 3.02Å; F199-L202 WeakPolarHBondContact O-CG 3.4Å; F199-L202 PolarHBondContact O-N 3.18Å; F199-L202 VanDerWaalsContact O-N 3.09Å; G200-L202 VanDerWaalsContact C-N 3.35Å; L202-V204 HydrophobicContact CB-CG2 4.27Å; L202-V204 PolarHBondContact O-N 3.47Å; L202-A205 HydrophobicContact CB-CB 4.3Å; L202-A205 VanDerWaalsContact O-CB 3.3Å; L202-A205 WeakPolarHBondContact O-CB 3.27Å; L202-A205 PolarHBondContact O-N 2.96Å
203S98Very high98.3Very high122 Ų12248.8 Ų48.885%0.85328%0.275SS*.THydrogen-bonded Turntrans-59.9-20.9177.460.60000114
204V97.9Very high98.3Very high65 Ų6545.2 Ų45.239%0.39426%0.261SS..THydrogen-bonded Turntrans-98.6-3.9-179.2-64.50000113.7L202 R206 N207 F208L202-V204 HydrophobicContact CB-CG2 4.27Å; L202-V204 PolarHBondContact O-N 3.47Å; V204-R206 VanDerWaalsContact C-N 3.34Å; V204-R206 PolarHBondContact O-N 3.33Å; V204-N207 PolarHBondContact O-N 2.91Å; V204-F208 HydrophobicContact CB-CD2 4.45Å; V204-F208 HydrophobicContact CB-CE2 4.2Å; V204-F208 HydrophobicContact CG2-CD2 4.02Å; V204-F208 HydrophobicContact CG2-CE2 3.52Å; V204-F208 HydrophobicContact CG2-CZ 4.37Å; V204-F208 PolarHBondContact O-N 3.09Å
205A98Very high98.4Very high4 Ų445.3 Ų45.33%0.03326%0.26CS..Hα-helixtrans-55.3-47.9-173.400000112.1F199 L202 N207 F208 I209F199-A205 HydrophobicContact CE1-CB 4.1Å; F199-A205 HydrophobicContact CZ-CB 4.1Å; F199-A205 WeakPolarHBondContact O-CB 3.37Å; L202-A205 HydrophobicContact CB-CB 4.3Å; L202-A205 VanDerWaalsContact O-CB 3.3Å; L202-A205 WeakPolarHBondContact O-CB 3.27Å; L202-A205 PolarHBondContact O-N 2.96Å; A205-N207 VanDerWaalsContact C-N 3.34Å; A205-N207 PolarHBondContact O-N 3.49Å; A205-F208 WeakPolarHBondContact O-CB 3.37Å; A205-F208 PolarHBondContact O-N 2.83Å; A205-F208 VanDerWaalsContact O-N 3.14Å; A205-I209 WeakPolarHBondContact O-CD1 3.2Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 2.91Å
206R98Very high98.4Very high101 Ų10144.6 Ų44.638%0.38126%0.256SS..Hα-helixtrans-55.1-46179.1-174.273.3-174.4-164.92.8112.6V204 F208 I209 E210 I233 E237V204-R206 VanDerWaalsContact C-N 3.34Å; V204-R206 PolarHBondContact O-N 3.33Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 3.37Å; R206-I209 PolarHBondContact O-N 3.5Å; R206-E210 HydrophobicContact CG-CG 4.49Å; R206-E210 IonicContact CZ-OE1 2.76Å; R206-E210 IonicContact NE-OE1 2.7Å; R206-E210 PolarHBondContact NE-OE1 3.13Å; R206-E210 IonicContact NH2-OE1 2.79Å; R206-E210 PolarHBondContact NH2-OE1 3.35Å; R206-E210 WeakPolarHBondContact O-CG 3.41Å; R206-E210 PolarHBondContact O-N 2.69Å; R206-I233 VanDerWaalsContact CZ-CG2 3.46Å; R206-E237 WeakPolarHBondContact CD-OE1 3.36Å; R206-E237 IonicContact CZ-OE1 3.92Å; R206-E237 IonicContact NE-OE1 3.32Å; R206-E237 IonicContact NH1-OE1 2.83Å; R206-E237 PolarHBondContact NH1-OE1 3.41Å; R206-E237 IonicContact NH1-OE2 3.27Å; R206-E237 PolarHBondContact NH1-OE2 3.03Å
207N98.3Very high98.4Very high100 Ų10044.4 Ų44.454%0.53526%0.257SS..Hα-helixtrans-64-39.8179.6-68.1-12000111.7V204 A205 T211V204-N207 PolarHBondContact O-N 2.91Å; A205-N207 VanDerWaalsContact C-N 3.34Å; A205-N207 PolarHBondContact O-N 3.49Å; N207-T211 WeakPolarHBondContact O-CB 3.36Å; N207-T211 PolarHBondContact O-N 3.31Å; N207-T211 VanDerWaalsContact O-N 3.14Å; N207-T211 PolarHBondContact O-OG1 3.31Å
208F98.3Very high98.4Very high67 Ų6745.4 Ų45.429%0.29427%0.265SS..Hα-helixtrans-63.3-43.4175.3-74.8-49.3000111.9L188 F199 V204 A205 R206 I212L188-F208 HydrophobicContact CD1-CB 3.74Å; L188-F208 HydrophobicContact CD1-CG 4.3Å; L188-F208 HydrophobicContact CD2-CD1 4.42Å; L188-F208 HydrophobicContact CD2-CG 4.35Å; F199-F208 HydrophobicContact CE2-CD2 4.21Å; F199-F208 HydrophobicContact CZ-CB 4.31Å; V204-F208 HydrophobicContact CB-CD2 4.45Å; V204-F208 HydrophobicContact CB-CE2 4.2Å; V204-F208 HydrophobicContact CG2-CD2 4.02Å; V204-F208 HydrophobicContact CG2-CE2 3.52Å; V204-F208 HydrophobicContact CG2-CZ 4.37Å; V204-F208 PolarHBondContact O-N 3.09Å; A205-F208 WeakPolarHBondContact O-CB 3.37Å; A205-F208 PolarHBondContact O-N 2.83Å; A205-F208 VanDerWaalsContact O-N 3.14Å; R206-F208 VanDerWaalsContact C-N 3.34Å; R206-F208 PolarHBondContact O-N 3.37Å; F208-I212 WeakPolarHBondContact O-CG1 3.23Å; F208-I212 PolarHBondContact O-N 2.67Å
209I98.5Very high98.4Very high0 Ų041.1 Ų41.10%025%0.245CC..Hα-helixtrans-64.2-53.8179.9-59.6155.9000110.3T184 F199 A205 R206 T211 I212 V213 I233 I236 E237 Y240T184-I209 HydrophobicContact CG2-CB 4.2Å; T184-I209 HydrophobicContact CG2-CG1 3.91Å; T184-I209 HydrophobicContact CG2-CG2 4.26Å; F199-I209 HydrophobicContact CE1-CD1 4.17Å; F199-I209 HydrophobicContact CE1-CG1 4.04Å; F199-I209 HydrophobicContact CZ-CG1 4.21Å; A205-I209 WeakPolarHBondContact O-CD1 3.2Å; A205-I209 WeakPolarHBondContact O-CG1 3.36Å; A205-I209 PolarHBondContact O-N 2.91Å; R206-I209 PolarHBondContact O-N 3.5Å; I209-T211 PolarHBondContact O-N 3.48Å; I209-I212 PolarHBondContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 3.82Å; I209-V213 WeakPolarHBondContact O-CB 3.28Å; I209-V213 WeakPolarHBondContact O-CG2 3.04Å; I209-V213 PolarHBondContact O-N 2.96Å; I209-I233 HydrophobicContact CG2-CB 4.34Å; I209-I233 HydrophobicContact CG2-CG1 3.94Å; I209-I233 HydrophobicContact CG2-CG2 4.09Å; I209-I236 HydrophobicContact CD1-CG2 4.11Å; I209-I236 HydrophobicContact CG1-CG2 4.18Å; I209-I236 HydrophobicContact CG2-CB 4.45Å; I209-I236 HydrophobicContact CG2-CD1 3.75Å; I209-I236 HydrophobicContact CG2-CG2 4.25Å; I209-E237 HydrophobicContact CD1-CG 4.49Å; I209-Y240 WeakPolarHBondContact CD1-OH 3.41Å
210E98.6Very high98.4Very high78 Ų7841.1 Ų41.136%0.36425%0.245SC..Hα-helixtrans-56.9-41.2-177.8-74.2179.7169.200111.5R206 G214 I233R206-E210 HydrophobicContact CG-CG 4.49Å; R206-E210 IonicContact CZ-OE1 2.76Å; R206-E210 IonicContact NE-OE1 2.7Å; R206-E210 PolarHBondContact NE-OE1 3.13Å; R206-E210 IonicContact NH2-OE1 2.79Å; R206-E210 PolarHBondContact NH2-OE1 3.35Å; R206-E210 WeakPolarHBondContact O-CG 3.41Å; R206-E210 PolarHBondContact O-N 2.69Å; E210-G214 PolarHBondContact O-N 2.92Å; E210-I233 HydrophobicContact CG-CD1 3.86Å
211T98.6Very high98.5Very high48 Ų4846.5 Ų46.529%0.29426%0.262SS..Hα-helixtrans-65.8-51.8179-55.40000112.2N207 I209 G214 E215 Y285N207-T211 WeakPolarHBondContact O-CB 3.36Å; N207-T211 PolarHBondContact O-N 3.31Å; N207-T211 VanDerWaalsContact O-N 3.14Å; N207-T211 PolarHBondContact O-OG1 3.31Å; I209-T211 PolarHBondContact O-N 3.48Å; T211-G214 PolarHBondContact O-N 3.3Å; T211-E215 PolarHBondContact O-N 3.42Å; T211-Y285 HydrophobicContact CG2-CD1 3.96Å; T211-Y285 HydrophobicContact CG2-CD2 3.26Å; T211-Y285 HydrophobicContact CG2-CE1 3.99Å; T211-Y285 HydrophobicContact CG2-CE2 3.32Å; T211-Y285 HydrophobicContact CG2-CG 3.6Å
212I98.7Very high98.5Very high3 Ų343.8 Ų43.82%0.01525%0.245CC..Hα-helixtrans-68.3-41.5-178.5-65173.9000110.8T184 L188 F208 I209 G214 E215 F216 L289T184-I212 WeakPolarHBondContact OG1-CG2 3.45Å; L188-I212 HydrophobicContact CD1-CD1 3.8Å; L188-I212 HydrophobicContact CD2-CD1 4.27Å; L188-I212 HydrophobicContact CG-CD1 4.06Å; F208-I212 WeakPolarHBondContact O-CG1 3.23Å; F208-I212 PolarHBondContact O-N 2.67Å; I209-I212 PolarHBondContact O-N 3.16Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 3.05Å; I212-E215 PolarHBondContact O-N 3.48Å; I212-F216 HydrophobicContact CG2-CD2 3.81Å; I212-F216 HydrophobicContact CG2-CE2 3.87Å; I212-F216 WeakPolarHBondContact O-CD2 3.3Å; I212-F216 PolarHBondContact O-N 3.3Å; I212-L289 HydrophobicContact CD1-CD2 4.19Å
213V98.8Very high98.4Very high1 Ų143.5 Ų43.51%0.00624%0.242CC..Hα-helixtrans-60.8-39.1175.9171.50000110.7I209 F216 A217 Q229 V232 I233 I236I209-V213 HydrophobicContact CG2-CG2 3.82Å; I209-V213 WeakPolarHBondContact O-CB 3.28Å; I209-V213 WeakPolarHBondContact O-CG2 3.04Å; I209-V213 PolarHBondContact O-N 2.96Å; V213-F216 PolarHBondContact O-N 2.89Å; V213-A217 VanDerWaalsContact O-CB 3.29Å; V213-A217 WeakPolarHBondContact O-CB 3.29Å; V213-A217 PolarHBondContact O-N 3.14Å; V213-Q229 HydrophobicContact CG1-CB 3.98Å; V213-Q229 HydrophobicContact CG1-CG 4.03Å; V213-V232 HydrophobicContact CG1-CB 4.21Å; V213-V232 HydrophobicContact CG1-CG1 4.12Å; V213-V232 HydrophobicContact CG2-CG1 4.02Å; V213-I233 HydrophobicContact CB-CG1 4.36Å; V213-I233 HydrophobicContact CG1-CG1 4.19Å; V213-I233 HydrophobicContact CG2-CG1 4.2Å; V213-I236 HydrophobicContact CG2-CD1 3.77Å
214G98.8Very high98.3Very high22 Ų2241 Ų4123%0.22724%0.235CC..Hα-helixtrans-58.7-45.3174.900000113E210 T211 I212 A217 A218E210-G214 PolarHBondContact O-N 2.92Å; T211-G214 PolarHBondContact O-N 3.3Å; I212-G214 VanDerWaalsContact C-N 3.27Å; I212-G214 PolarHBondContact O-N 3.05Å; G214-A217 PolarHBondContact O-N 3.19Å; G214-A218 WeakPolarHBondContact O-CB 3.41Å; G214-A218 PolarHBondContact O-N 3.3Å
215E98.8Very high98.3Very high15 Ų1538.7 Ų38.77%0.0722%0.22CC..Hα-helixtrans-64.3-45.6176.4-68.1-174.2174.100112.3T211 I212 A217 A218 V219 T283 P284 Y285 C286T211-E215 PolarHBondContact O-N 3.42Å; I212-E215 PolarHBondContact O-N 3.48Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 2.9Å; E215-A218 PolarHBondContact O-N 3.31Å; E215-V219 PolarHBondContact O-N 2.89Å; E215-V219 VanDerWaalsContact O-N 3.16Å; E215-T283 HydrophobicContact CB-CG2 4.11Å; E215-T283 VanDerWaalsContact CD-C 3.4Å; E215-T283 HydrophobicContact CG-CG2 4.47Å; E215-T283 WeakPolarHBondContact OE1-CA 3.37Å; E215-T283 VanDerWaalsContact OE2-C 3.29Å; E215-T283 WeakPolarHBondContact OE2-CA 3.31Å; E215-T283 WeakPolarHBondContact OE2-CB 3.42Å; E215-P284 WeakPolarHBondContact OE1-CD 3.49Å; E215-P284 WeakPolarHBondContact OE1-CG 3.46Å; E215-Y285 WeakPolarHBondContact OE1-CB 3.34Å; E215-Y285 WeakPolarHBondContact OE1-CD2 3.43Å; E215-Y285 PolarHBondContact OE1-N 3.13Å; E215-Y285 PolarHBondContact OE2-N 3.02Å; E215-C286 WeakPolarHBondContact OE2-CB 3.45Å; E215-C286 PolarHBondContact OE2-N 2.85Å; E215-C286 PolarHBondContact OE2-SG 2.97Å
216F98.8Very high98.3Very high0 Ų044.8 Ų44.80%025%0.248CC..Hα-helixtrans-59-44.9174.8-92.9-97.4000111.5W176 A179 C180 I212 V213 V219 A220 I268 V272W176-F216 HydrophobicContact CE3-CD1 4.42Å; W176-F216 HydrophobicContact CZ3-CD1 4.42Å; A179-F216 VanDerWaalsContact C-CE1 3.43Å; A179-F216 HydrophobicContact CB-CE1 4.13Å; A179-F216 VanDerWaalsContact O-CE1 3.3Å; A179-F216 WeakPolarHBondContact O-CE1 3.28Å; A179-F216 WeakPolarHBondContact O-CZ 3.49Å; C180-F216 VanDerWaalsContact CA-CD1 3.41Å; C180-F216 HydrophobicContact CB-CB 3.98Å; C180-F216 HydrophobicContact CB-CD1 3.61Å; C180-F216 HydrophobicContact CB-CE1 4.24Å; C180-F216 HydrophobicContact CB-CG 3.82Å; C180-F216 WeakPolarHBondContact SG-CB 3.44Å; I212-F216 HydrophobicContact CG2-CD2 3.81Å; I212-F216 HydrophobicContact CG2-CE2 3.87Å; I212-F216 WeakPolarHBondContact O-CD2 3.3Å; I212-F216 PolarHBondContact O-N 3.3Å; V213-F216 PolarHBondContact O-N 2.89Å; F216-V219 PolarHBondContact O-N 3.05Å; F216-A220 WeakPolarHBondContact O-CB 3.38Å; F216-A220 PolarHBondContact O-N 3.08Å; F216-I268 HydrophobicContact CZ-CG2 4.04Å; F216-V272 HydrophobicContact CD1-CG2 3.52Å; F216-V272 HydrophobicContact CD2-CG2 4.28Å; F216-V272 HydrophobicContact CE1-CB 4.5Å; F216-V272 HydrophobicContact CE1-CG2 3.29Å; F216-V272 HydrophobicContact CE2-CG2 4.1Å; F216-V272 HydrophobicContact CG-CG2 4.02Å; F216-V272 HydrophobicContact CZ-CB 4.42Å; F216-V272 HydrophobicContact CZ-CG2 3.6Å
217A98.7Very high98.3Very high9 Ų940.2 Ų40.27%0.07423%0.232CC..Hα-helixtrans-65.9-39-179.700000112.4V213 G214 E215 A220 K221 L227 Q229V213-A217 VanDerWaalsContact O-CB 3.29Å; V213-A217 WeakPolarHBondContact O-CB 3.29Å; V213-A217 PolarHBondContact O-N 3.14Å; G214-A217 PolarHBondContact O-N 3.19Å; E215-A217 VanDerWaalsContact C-N 3.33Å; E215-A217 PolarHBondContact O-N 2.9Å; A217-A220 PolarHBondContact O-N 3.03Å; A217-K221 WeakPolarHBondContact O-CB 3.09Å; A217-K221 PolarHBondContact O-N 3.36Å; A217-L227 HydrophobicContact CB-CB 4.22Å; A217-Q229 HydrophobicContact CB-CG 3.58Å
218A98.8Very high98.2Very high40 Ų4038.8 Ų38.833%0.33122%0.224SC..Hα-helixtrans-61.8-47176.700000111.8G214 E215 A222 I281G214-A218 WeakPolarHBondContact O-CB 3.41Å; G214-A218 PolarHBondContact O-N 3.3Å; E215-A218 PolarHBondContact O-N 3.31Å; A218-A222 PolarHBondContact O-N 3.32Å; A218-I281 HydrophobicContact CB-CG2 3.79Å; A218-I281 WeakPolarHBondContact O-CD1 3.33Å
219V98.8Very high98.2Very high0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-71.3-40.4177.9-1790000111.7W176 E215 F216 K221 A222 E223 V272 K275 I281 T283W176-V219 HydrophobicContact CH2-CB 4.4Å; W176-V219 HydrophobicContact CH2-CG1 3.8Å; W176-V219 HydrophobicContact CZ3-CG1 4.38Å; E215-V219 PolarHBondContact O-N 2.89Å; E215-V219 VanDerWaalsContact O-N 3.16Å; F216-V219 PolarHBondContact O-N 3.05Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 3.37Å; V219-A222 WeakPolarHBondContact O-CB 3.35Å; V219-A222 PolarHBondContact O-N 2.81Å; V219-A222 VanDerWaalsContact O-N 3.13Å; V219-E223 WeakPolarHBondContact O-CG 3.36Å; V219-E223 PolarHBondContact O-N 2.86Å; V219-E223 VanDerWaalsContact O-N 3.14Å; V219-V272 HydrophobicContact CB-CG1 4.17Å; V219-V272 HydrophobicContact CG2-CG1 3.86Å; V219-K275 HydrophobicContact CG1-CB 3.49Å; V219-K275 VanDerWaalsContact CG1-CB 3.49Å; V219-K275 HydrophobicContact CG1-CD 4.43Å; V219-I281 HydrophobicContact CG2-CB 4.45Å; V219-I281 HydrophobicContact CG2-CG2 4.12Å; V219-T283 HydrophobicContact CG2-CG2 3.61Å
220A98.4Very high98.1Very high0 Ų043.1 Ų43.10%026%0.257CS..Hα-helixtrans-57.8-41176.100000111.6W176 F216 A217 A222 E223 G224 I225 L227W176-A220 HydrophobicContact CD2-CB 3.88Å; W176-A220 HydrophobicContact CE3-CB 3.55Å; W176-A220 HydrophobicContact CG-CB 4.42Å; W176-A220 HydrophobicContact CZ3-CB 3.9Å; F216-A220 WeakPolarHBondContact O-CB 3.38Å; F216-A220 PolarHBondContact O-N 3.08Å; A217-A220 PolarHBondContact O-N 3.03Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-A222 PolarHBondContact O-N 3.09Å; A220-E223 CarbonylContact O-C 3.38Å; A220-E223 WeakPolarHBondContact O-CA 3.44Å; A220-E223 WeakPolarHBondContact O-CB 3.39Å; A220-E223 PolarHBondContact O-N 3.08Å; A220-G224 PolarHBondContact O-N 3.08Å; A220-I225 CarbonylContact C-O 3.58Å; A220-I225 HydrophobicContact CB-CB 4.26Å; A220-I225 WeakPolarHBondContact CB-O 3.48Å; A220-I225 WeakPolarHBondContact O-CA 3.34Å; A220-I225 PolarHBondContact O-N 3.41Å; A220-I225 VanDerWaalsContact O-O 3.12Å; A220-L227 HydrophobicContact CB-CD1 3.64Å; A220-L227 HydrophobicContact CB-CG 3.79Å
221K98.5Very high98.1Very high136 Ų13644 Ų4459%0.59126%0.261SS*.Hα-helixtrans-61.5-40.7176.7-175.9173.8-177.8171.70112.4A217 V219 E223 G224 I225A217-K221 WeakPolarHBondContact O-CB 3.09Å; A217-K221 PolarHBondContact O-N 3.36Å; V219-K221 VanDerWaalsContact C-N 3.26Å; V219-K221 PolarHBondContact O-N 3.37Å; K221-E223 PolarHBondContact O-N 3.07Å; K221-G224 PolarHBondContact O-N 3.28Å; K221-I225 WeakPolarHBondContact CA-O 3.34Å; K221-I225 PolarHBondContact N-O 3.1Å
222A98.2Very high98.1Very high40 Ų4041.7 Ų41.733%0.33125%0.247SC..Hα-helixtrans-65.4-25.1174.400000112.8A218 V219 A220 G224 Y279 I281A218-A222 PolarHBondContact O-N 3.32Å; V219-A222 WeakPolarHBondContact O-CB 3.35Å; V219-A222 PolarHBondContact O-N 2.81Å; V219-A222 VanDerWaalsContact O-N 3.13Å; A220-A222 VanDerWaalsContact C-N 3.34Å; A220-A222 PolarHBondContact O-N 3.09Å; A222-G224 VanDerWaalsContact C-N 3.29Å; A222-Y279 HydrophobicContact CB-CD1 3.91Å; A222-Y279 HydrophobicContact CB-CD2 3.76Å; A222-Y279 HydrophobicContact CB-CE1 4.19Å; A222-Y279 HydrophobicContact CB-CE2 4.07Å; A222-Y279 HydrophobicContact CB-CG 3.68Å; A222-I281 HydrophobicContact CB-CD1 3.79Å
223E96.9Very high98.1Very high63 Ų6342 Ų4229%0.29425%0.248SC..THydrogen-bonded Turntrans-88.37.5173.6-64.7-99.9147.100112.8W176 V219 A220 K221 K275 Y279W176-E223 HydrophobicContact CH2-CG 4.25Å; W176-E223 HydrophobicContact CZ2-CB 3.97Å; W176-E223 HydrophobicContact CZ2-CG 3.68Å; V219-E223 WeakPolarHBondContact O-CG 3.36Å; V219-E223 PolarHBondContact O-N 2.86Å; V219-E223 VanDerWaalsContact O-N 3.14Å; A220-E223 CarbonylContact O-C 3.38Å; A220-E223 WeakPolarHBondContact O-CA 3.44Å; A220-E223 WeakPolarHBondContact O-CB 3.39Å; A220-E223 PolarHBondContact O-N 3.08Å; K221-E223 PolarHBondContact O-N 3.07Å; E223-K275 HydrophobicContact CG-CD 4.38Å; E223-K275 IonicContact OE1-NZ 2.84Å; E223-K275 PolarHBondContact OE1-NZ 3.14Å; E223-K275 IonicContact OE2-NZ 2.76Å; E223-K275 PolarHBondContact OE2-NZ 2.81Å; E223-Y279 HydrophobicContact CG-CE2 3.93Å; E223-Y279 VanDerWaalsContact OE1-CE2 3.27Å; E223-Y279 WeakPolarHBondContact OE1-CE2 3.19Å; E223-Y279 PolarHBondContact OE1-OH 3.21Å
224G96.9Very high98Very high68 Ų6848.3 Ų48.370%0.70128%0.278SS*.THydrogen-bonded Turntrans78.817.4178.500000114.6A220 K221 A222A220-G224 PolarHBondContact O-N 3.08Å; K221-G224 PolarHBondContact O-N 3.28Å; A222-G224 VanDerWaalsContact C-N 3.29Å
225I97.3Very high97.9Very high17 Ų1748.7 Ų48.79%0.08728%0.279CS..  trans-114114.7-179.3-56.4-61.8000110.1R172 Y173 W176 A220 K221 L227R172-I225 HydrophobicContact CB-CD1 3.64Å; R172-I225 HydrophobicContact CB-CG1 4.48Å; Y173-I225 HydrophobicContact CD2-CG2 4.26Å; W176-I225 HydrophobicContact CB-CG2 4.03Å; W176-I225 HydrophobicContact CG-CB 4.44Å; W176-I225 HydrophobicContact CG-CG1 4.44Å; W176-I225 HydrophobicContact CG-CG2 4.17Å; A220-I225 CarbonylContact C-O 3.58Å; A220-I225 HydrophobicContact CB-CB 4.26Å; A220-I225 WeakPolarHBondContact CB-O 3.48Å; A220-I225 WeakPolarHBondContact O-CA 3.34Å; A220-I225 PolarHBondContact O-N 3.41Å; A220-I225 VanDerWaalsContact O-O 3.12Å; K221-I225 WeakPolarHBondContact CA-O 3.34Å; K221-I225 PolarHBondContact N-O 3.1Å; I225-L227 HydrophobicContact CG2-CD2 4.33Å; I225-L227 HydrophobicContact CG2-CG 4.43Å; I225-L227 PolarHBondContact O-N 3.25Å
226E97.6Very high97.9Very high132 Ų13248 Ų4862%0.61728%0.275SS*.  trans-8598.4177.2-169.265.9-151.600110.5Y173 N228Y173-E226 WeakPolarHBondContact CE2-O 3.38Å; E226-N228 PolarHBondContact O-N 3.46Å
227L97.4Very high97.8Very high6 Ų651.1 Ų51.13%0.03129%0.29CS..  trans-81.6111.4171.4-70.4-178.9000110.5Y173 W176 K177 C180 A217 A220 I225 Q229Y173-L227 HydrophobicContact CD2-CD2 4.01Å; Y173-L227 HydrophobicContact CE2-CD2 3.89Å; W176-L227 HydrophobicContact CB-CD1 4.29Å; W176-L227 HydrophobicContact CB-CD2 4.05Å; W176-L227 HydrophobicContact CB-CG 4.44Å; W176-L227 HydrophobicContact CE3-CD1 4.5Å; K177-L227 HydrophobicContact CB-CD2 4.19Å; C180-L227 HydrophobicContact CB-CD1 4.35Å; A217-L227 HydrophobicContact CB-CB 4.22Å; A220-L227 HydrophobicContact CB-CD1 3.64Å; A220-L227 HydrophobicContact CB-CG 3.79Å; I225-L227 HydrophobicContact CG2-CD2 4.33Å; I225-L227 HydrophobicContact CG2-CG 4.43Å; I225-L227 PolarHBondContact O-N 3.25Å; L227-Q229 PolarHBondContact O-N 3.1Å
228N96.4Very high97.7Very high70 Ų7053.9 Ų53.937%0.37431%0.313SS..  trans-67.599.2169.8-175.9-40.2000109.9E226 A230 Q231 V232E226-N228 PolarHBondContact O-N 3.46Å; N228-A230 VanDerWaalsContact C-N 3.32Å; N228-A230 PolarHBondContact O-N 3.42Å; N228-A230 PolarHBondContact OD1-N 2.81Å; N228-Q231 HydrophobicContact CB-CB 4.11Å; N228-Q231 HydrophobicContact CB-CG 4.17Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 VanDerWaalsContact O-N 3.13Å; N228-Q231 PolarHBondContact OD1-N 2.86Å; N228-Q231 VanDerWaalsContact OD1-N 3.1Å; N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 2.96Å
229Q98.3Very high97.6Very high89 Ų8952.8 Ų52.842%0.41630%0.302SS..Hα-helixtrans-56.3-43.7-174.7-64-176.55000112.5V213 A217 L227 Q231 V232 I233V213-Q229 HydrophobicContact CG1-CB 3.98Å; V213-Q229 HydrophobicContact CG1-CG 4.03Å; A217-Q229 HydrophobicContact CB-CG 3.58Å; L227-Q229 PolarHBondContact O-N 3.1Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 3.17Å; Q229-V232 PolarHBondContact O-N 3.36Å; Q229-V232 VanDerWaalsContact O-N 3.16Å; Q229-I233 WeakPolarHBondContact O-CB 3.28Å; Q229-I233 WeakPolarHBondContact O-CD1 3.14Å; Q229-I233 WeakPolarHBondContact O-CG1 3.33Å; Q229-I233 PolarHBondContact O-N 2.95Å
230A98Very high97.5Very high69 Ų6954.8 Ų54.857%0.5731%0.31SS*.Hα-helixtrans-60.7-41.9179.500000112N228 Q234N228-A230 VanDerWaalsContact C-N 3.32Å; N228-A230 PolarHBondContact O-N 3.42Å; N228-A230 PolarHBondContact OD1-N 2.81Å; A230-Q234 WeakPolarHBondContact O-CB 3.5Å; A230-Q234 PolarHBondContact O-N 2.84Å
231Q97.5Very high97.3Very high96 Ų9658.5 Ų58.545%0.44933%0.33SS..Hα-helixtrans-69.1-35.8176.1-70.7179.3-13.500112.7N228 Q229 A235N228-Q231 HydrophobicContact CB-CB 4.11Å; N228-Q231 HydrophobicContact CB-CG 4.17Å; N228-Q231 PolarHBondContact O-N 3.49Å; N228-Q231 VanDerWaalsContact O-N 3.13Å; N228-Q231 PolarHBondContact OD1-N 2.86Å; N228-Q231 VanDerWaalsContact OD1-N 3.1Å; Q229-Q231 VanDerWaalsContact C-N 3.33Å; Q229-Q231 PolarHBondContact O-N 3.17Å; Q231-A235 WeakPolarHBondContact O-CB 3.29Å; Q231-A235 PolarHBondContact O-N 3.3Å
232V98.1Very high97Very high0 Ų056 Ų560%033%0.326CS..Hα-helixtrans-67.5-46176176.40000110.5K177 C180 I181 V213 N228 Q229 Q234 A235 I236K177-V232 HydrophobicContact CG-CG2 4.29Å; C180-V232 HydrophobicContact CB-CG1 4.31Å; I181-V232 HydrophobicContact CG1-CG1 4.42Å; V213-V232 HydrophobicContact CG1-CB 4.21Å; V213-V232 HydrophobicContact CG1-CG1 4.12Å; V213-V232 HydrophobicContact CG2-CG1 4.02Å; N228-V232 WeakPolarHBondContact O-CG2 3.45Å; N228-V232 PolarHBondContact O-N 2.96Å; Q229-V232 PolarHBondContact O-N 3.36Å; Q229-V232 VanDerWaalsContact O-N 3.16Å; V232-Q234 PolarHBondContact O-N 2.95Å; V232-A235 WeakPolarHBondContact O-CB 3.29Å; V232-A235 PolarHBondContact O-N 2.8Å; V232-I236 HydrophobicContact CG1-CD1 4.09Å; V232-I236 WeakPolarHBondContact O-CG1 3.45Å; V232-I236 PolarHBondContact O-N 3.47Å
233I98.5Very high96.7Very high9 Ų962.8 Ų62.85%0.04635%0.348CS..Hα-helixtrans-59.3-47.5176.1-65.2159.2000110.3R206 I209 E210 V213 Q229 A235 I236 E237R206-I233 VanDerWaalsContact CZ-CG2 3.46Å; I209-I233 HydrophobicContact CG2-CB 4.34Å; I209-I233 HydrophobicContact CG2-CG1 3.94Å; I209-I233 HydrophobicContact CG2-CG2 4.09Å; E210-I233 HydrophobicContact CG-CD1 3.86Å; V213-I233 HydrophobicContact CB-CG1 4.36Å; V213-I233 HydrophobicContact CG1-CG1 4.19Å; V213-I233 HydrophobicContact CG2-CG1 4.2Å; Q229-I233 WeakPolarHBondContact O-CB 3.28Å; Q229-I233 WeakPolarHBondContact O-CD1 3.14Å; Q229-I233 WeakPolarHBondContact O-CG1 3.33Å; Q229-I233 PolarHBondContact O-N 2.95Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.27Å; I233-I236 WeakPolarHBondContact O-CB 2.9Å; I233-I236 PolarHBondContact O-N 3.43Å; I233-I236 VanDerWaalsContact O-N 3.11Å; I233-E237 HydrophobicContact CG2-CG 4.39Å; I233-E237 WeakPolarHBondContact O-CG 3.47Å; I233-E237 PolarHBondContact O-N 3Å
234Q98Very high96.2Very high134 Ų13463.7 Ų63.763%0.62636%0.358SS*.Hα-helixtrans-59.4-40.8176.6-174.4-178.133.200112A230 V232 I236 E237 A238A230-Q234 WeakPolarHBondContact O-CB 3.5Å; A230-Q234 PolarHBondContact O-N 2.84Å; V232-Q234 PolarHBondContact O-N 2.95Å; Q234-I236 VanDerWaalsContact C-N 3.32Å; Q234-I236 PolarHBondContact O-N 3.16Å; Q234-E237 PolarHBondContact O-N 3Å; Q234-A238 WeakPolarHBondContact O-CB 3.49Å; Q234-A238 PolarHBondContact O-N 2.95Å
235A96.5Very high95.8Very high29 Ų2965.1 Ų65.124%0.2435%0.346CS..Hα-helixtrans-64.6-36.5176.500000112.3I181 Q231 V232 I233 T239I181-A235 HydrophobicContact CD1-CB 4.3Å; Q231-A235 WeakPolarHBondContact O-CB 3.29Å; Q231-A235 PolarHBondContact O-N 3.3Å; V232-A235 WeakPolarHBondContact O-CB 3.29Å; V232-A235 PolarHBondContact O-N 2.8Å; I233-A235 VanDerWaalsContact C-N 3.29Å; I233-A235 PolarHBondContact O-N 3.27Å; A235-T239 WeakPolarHBondContact O-CG2 3.25Å
236I97.8Very high95.6Very high0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-65.9-50.5174.4-69.1168.3000110I181 T184 L185 I209 V213 V232 I233 Q234 A238 T239 Y240I181-I236 HydrophobicContact CB-CG1 4.33Å; I181-I236 HydrophobicContact CG1-CD1 4.44Å; I181-I236 HydrophobicContact CG1-CG1 3.85Å; I181-I236 HydrophobicContact CG2-CG1 4.28Å; T184-I236 HydrophobicContact CG2-CD1 4.12Å; L185-I236 HydrophobicContact CD1-CG2 4.17Å; L185-I236 HydrophobicContact CD2-CG2 3.85Å; L185-I236 HydrophobicContact CG-CG2 3.99Å; I209-I236 HydrophobicContact CD1-CG2 4.11Å; I209-I236 HydrophobicContact CG1-CG2 4.18Å; I209-I236 HydrophobicContact CG2-CB 4.45Å; I209-I236 HydrophobicContact CG2-CD1 3.75Å; I209-I236 HydrophobicContact CG2-CG2 4.25Å; V213-I236 HydrophobicContact CG2-CD1 3.77Å; V232-I236 HydrophobicContact CG1-CD1 4.09Å; V232-I236 WeakPolarHBondContact O-CG1 3.45Å; V232-I236 PolarHBondContact O-N 3.47Å; I233-I236 WeakPolarHBondContact O-CB 2.9Å; I233-I236 PolarHBondContact O-N 3.43Å; I233-I236 VanDerWaalsContact O-N 3.11Å; Q234-I236 VanDerWaalsContact C-N 3.32Å; Q234-I236 PolarHBondContact O-N 3.16Å; I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 2.7Å; I236-T239 WeakPolarHBondContact O-CB 3.21Å; I236-T239 PolarHBondContact O-N 2.97Å; I236-T239 PolarHBondContact O-OG1 2.85Å; I236-Y240 HydrophobicContact CG2-CE1 4.36Å
237E97.6Very high95.4Very high66 Ų6663.2 Ų63.231%0.30834%0.34SS..Hα-helixtrans-63.8-31.9-178.7-68.1177.1155.100112.9R206 I209 I233 Q234 T239 Y240R206-E237 WeakPolarHBondContact CD-OE1 3.36Å; R206-E237 IonicContact CZ-OE1 3.92Å; R206-E237 IonicContact NE-OE1 3.32Å; R206-E237 IonicContact NH1-OE1 2.83Å; R206-E237 PolarHBondContact NH1-OE1 3.41Å; R206-E237 IonicContact NH1-OE2 3.27Å; R206-E237 PolarHBondContact NH1-OE2 3.03Å; I209-E237 HydrophobicContact CD1-CG 4.49Å; I233-E237 HydrophobicContact CG2-CG 4.39Å; I233-E237 WeakPolarHBondContact O-CG 3.47Å; I233-E237 PolarHBondContact O-N 3Å; Q234-E237 PolarHBondContact O-N 3Å; E237-T239 PolarHBondContact O-N 3.3Å; E237-Y240 HydrophobicContact CB-CD2 4.28Å; E237-Y240 HydrophobicContact CB-CE2 4.03Å; E237-Y240 HydrophobicContact CG-CE2 3.83Å; E237-Y240 WeakPolarHBondContact O-CB 3.32Å; E237-Y240 WeakPolarHBondContact O-CD2 3.42Å; E237-Y240 VanDerWaalsContact O-CG 3.23Å; E237-Y240 PolarHBondContact O-N 3.4Å; E237-Y240 VanDerWaalsContact O-N 3.13Å
238A96.5Very high95.3Very high68 Ų6868.5 Ų68.556%0.56236%0.364SS*.G310 helixtrans-62.3-22173.900000113.3Q234 I236 Y240Q234-A238 WeakPolarHBondContact O-CB 3.49Å; Q234-A238 PolarHBondContact O-N 2.95Å; I236-A238 VanDerWaalsContact C-N 3.27Å; I236-A238 PolarHBondContact O-N 2.7Å; A238-Y240 PolarHBondContact O-N 3.11Å
239T95.7Very high95.2Very high17 Ų1767 Ų6710%0.10435%0.354CS..G310 helixtrans-74.6-10.8177.169.50000113.4L185 I196 A235 I236 E237 D241 Q245 G246L185-T239 HydrophobicContact CD1-CG2 4.49Å; I196-T239 WeakPolarHBondContact CG2-O 3.32Å; I196-T239 VanDerWaalsContact CG2-OG1 3.26Å; I196-T239 WeakPolarHBondContact CG2-OG1 3.44Å; A235-T239 WeakPolarHBondContact O-CG2 3.25Å; I236-T239 WeakPolarHBondContact O-CB 3.21Å; I236-T239 PolarHBondContact O-N 2.97Å; I236-T239 PolarHBondContact O-OG1 2.85Å; E237-T239 PolarHBondContact O-N 3.3Å; T239-D241 VanDerWaalsContact C-N 3.26Å; T239-D241 PolarHBondContact O-N 2.8Å; T239-Q245 CarbonylContact O-C 3.53Å; T239-G246 VanDerWaalsContact O-CA 3.28Å; T239-G246 WeakPolarHBondContact O-CA 3.3Å; T239-G246 PolarHBondContact O-N 3.01Å; T239-G246 VanDerWaalsContact O-N 3.1Å
240Y96.6Very high95.1Very high42 Ų4263.1 Ų63.117%0.16534%0.337CS..G310 helixtrans-72.9-17.3-177.3-58.9-15000113.6L185 I196 F199 G200 I209 I236 E237 A238 V242L185-Y240 HydrophobicContact CD2-CE1 4.27Å; I196-Y240 HydrophobicContact CG2-CD1 3.71Å; I196-Y240 HydrophobicContact CG2-CE1 4.23Å; F199-Y240 HydrophobicContact CD1-CE1 4.12Å; F199-Y240 WeakPolarHBondContact CE1-OH 3.3Å; G200-Y240 VanDerWaalsContact CA-CE2 3.49Å; I209-Y240 WeakPolarHBondContact CD1-OH 3.41Å; I236-Y240 HydrophobicContact CG2-CE1 4.36Å; E237-Y240 HydrophobicContact CB-CD2 4.28Å; E237-Y240 HydrophobicContact CB-CE2 4.03Å; E237-Y240 HydrophobicContact CG-CE2 3.83Å; E237-Y240 WeakPolarHBondContact O-CB 3.32Å; E237-Y240 WeakPolarHBondContact O-CD2 3.42Å; E237-Y240 VanDerWaalsContact O-CG 3.23Å; E237-Y240 PolarHBondContact O-N 3.4Å; E237-Y240 VanDerWaalsContact O-N 3.13Å; A238-Y240 PolarHBondContact O-N 3.11Å; Y240-V242 PolarHBondContact O-N 3.31Å; Y240-V242 VanDerWaalsContact O-N 3.12Å
241D94.8Very high94.9Very high77 Ų7761.5 Ų61.541%0.41232%0.322SS..  trans-62.8116.4-178.6-173-11000110.8T239 K243 T244 Q245 G246T239-D241 VanDerWaalsContact C-N 3.26Å; T239-D241 PolarHBondContact O-N 2.8Å; D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact O-N 3.15Å; D241-K243 VanDerWaalsContact OD1-CB 3.32Å; D241-K243 WeakPolarHBondContact OD1-CB 3.27Å; D241-K243 WeakPolarHBondContact OD1-CG 3.44Å; D241-K243 PolarHBondContact OD1-N 3.2Å; D241-T244 CarbonylContact O-C 3.6Å; D241-T244 PolarHBondContact O-N 3.34Å; D241-T244 PolarHBondContact O-OG1 3.14Å; D241-T244 VanDerWaalsContact O-OG1 3.12Å; D241-Q245 PolarHBondContact O-N 3.16Å; D241-G246 PolarHBondContact O-N 2.69Å
242V93.2Very high94.9Very high83 Ų8357.1 Ų57.150%0.50330%0.301SS..THydrogen-bonded Turntrans-60.5-20.7178.4-61.90000113.4A197 Y240 L247A197-V242 HydrophobicContact CB-CG1 3.92Å; Y240-V242 PolarHBondContact O-N 3.31Å; Y240-V242 VanDerWaalsContact O-N 3.12Å; V242-L247 HydrophobicContact CB-CD2 4.3Å; V242-L247 HydrophobicContact CB-CG 4.13Å; V242-L247 HydrophobicContact CG1-CD2 4.05Å; V242-L247 HydrophobicContact CG1-CG 4.37Å
243K90.5Very high94.9Very high184 Ų18458.1 Ų58.180%0.831%0.305SS*.THydrogen-bonded Turntrans-76.8-13.5174.4-60.7177.8-178.5176.60112.8D241D241-K243 PolarHBondContact O-N 3.31Å; D241-K243 VanDerWaalsContact O-N 3.15Å; D241-K243 VanDerWaalsContact OD1-CB 3.32Å; D241-K243 WeakPolarHBondContact OD1-CB 3.27Å; D241-K243 WeakPolarHBondContact OD1-CG 3.44Å; D241-K243 PolarHBondContact OD1-N 3.2Å
244T87.7Confident94.8Very high81 Ų8161.7 Ų61.750%0.49732%0.321SS..THydrogen-bonded Turntrans-119-104.1178.964.50000110.4D241D241-T244 CarbonylContact O-C 3.6Å; D241-T244 PolarHBondContact O-N 3.34Å; D241-T244 PolarHBondContact O-OG1 3.14Å; D241-T244 VanDerWaalsContact O-OG1 3.12Å
245Q87.6Confident94.6Very high99 Ų9955.6 Ų55.646%0.46329%0.293SS..THydrogen-bonded Turntrans-99.3-5.4-173.5-61.8-174.2-23.200113.9T239 D241 L247 H248T239-Q245 CarbonylContact O-C 3.53Å; D241-Q245 PolarHBondContact O-N 3.16Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; Q245-L247 PolarHBondContact O-N 2.86Å; Q245-H248 VanDerWaalsContact O-CB 3.3Å; Q245-H248 WeakPolarHBondContact O-CB 3.21Å; Q245-H248 PolarHBondContact O-N 3.11Å
246G92.3Very high94.6Very high0 Ų054.2 Ų54.20%028%0.282CS..THydrogen-bonded Turntrans-57.1-39.4-172.300000113.9N195 I196 A197 T239 D241 H248N195-G246 PolarHBondContact OD1-O 3.11Å; I196-G246 PolarHBondContact N-O 2.89Å; A197-G246 VanDerWaalsContact CB-O 3.29Å; A197-G246 WeakPolarHBondContact CB-O 3.27Å; A197-G246 PolarHBondContact N-O 3.28Å; T239-G246 VanDerWaalsContact O-CA 3.28Å; T239-G246 WeakPolarHBondContact O-CA 3.3Å; T239-G246 PolarHBondContact O-N 3.01Å; T239-G246 VanDerWaalsContact O-N 3.1Å; D241-G246 PolarHBondContact O-N 2.69Å; G246-H248 PolarHBondContact O-N 2.73Å
247L95.3Very high94.6Very high109 Ų10955.9 Ų55.957%0.57129%0.29SS*.THydrogen-bonded Turntrans-79.5-3.9178.7-60.7-179.6000113.8V242 Q245V242-L247 HydrophobicContact CB-CD2 4.3Å; V242-L247 HydrophobicContact CB-CG 4.13Å; V242-L247 HydrophobicContact CG1-CD2 4.05Å; V242-L247 HydrophobicContact CG1-CG 4.37Å; Q245-L247 VanDerWaalsContact C-N 3.3Å; Q245-L247 PolarHBondContact O-N 2.86Å
248H93.6Very high94.5Very high116 Ų11659.2 Ų59.254%0.53730%0.3SS..PPolyproline II helixtrans-81.8144.3179.2-66.2-46000111.9I196 Q245 G246I196-H248 WeakPolarHBondContact CG1-O 3.39Å; I196-H248 PolarHBondContact N-O 3.17Å; Q245-H248 VanDerWaalsContact O-CB 3.3Å; Q245-H248 WeakPolarHBondContact O-CB 3.21Å; Q245-H248 PolarHBondContact O-N 3.11Å; G246-H248 PolarHBondContact O-N 2.73Å
249F96Very high94.3Very high38 Ų3859.8 Ų59.817%0.16729%0.294CS..PPolyproline II helixtrans-89.4131.9166.9-71.4-96.7000109C194 N195 Y253 Q254 R258C194-F249 VanDerWaalsContact C-CE1 3.4Å; C194-F249 WeakPolarHBondContact O-CD1 3.41Å; N195-F249 HydrophobicContact CB-CD1 4.25Å; N195-F249 HydrophobicContact CB-CD2 4.06Å; N195-F249 HydrophobicContact CB-CE1 4.12Å; N195-F249 HydrophobicContact CB-CE2 3.91Å; N195-F249 HydrophobicContact CB-CG 4.27Å; N195-F249 HydrophobicContact CB-CZ 3.95Å; F249-Y253 HydrophobicContact CB-CD1 3.57Å; F249-Y253 HydrophobicContact CB-CE1 4.14Å; F249-Y253 HydrophobicContact CB-CG 3.95Å; F249-Y253 AromaticContact CD1-CD1 3.44Å; F249-Y253 HydrophobicContact CD1-CD1 3.44Å; F249-Y253 VanDerWaalsContact CD1-CD1 3.44Å; F249-Y253 AromaticContact CD1-CD2 3.61Å; F249-Y253 HydrophobicContact CD1-CD2 3.61Å; F249-Y253 AromaticContact CD1-CE1 3.34Å; F249-Y253 HydrophobicContact CD1-CE1 3.34Å; F249-Y253 AromaticContact CD1-CE2 3.47Å; F249-Y253 HydrophobicContact CD1-CE2 3.47Å; F249-Y253 VanDerWaalsContact CD1-CE2 3.47Å; F249-Y253 AromaticContact CD1-CG 3.62Å; F249-Y253 HydrophobicContact CD1-CG 3.62Å; F249-Y253 AromaticContact CD1-CZ 3.38Å; F249-Y253 HydrophobicContact CE1-CD1 4.35Å; F249-Y253 HydrophobicContact CE1-CD2 4.22Å; F249-Y253 AromaticContact CE1-CE1 3.81Å; F249-Y253 HydrophobicContact CE1-CE1 3.81Å; F249-Y253 AromaticContact CE1-CE2 3.64Å; F249-Y253 HydrophobicContact CE1-CE2 3.64Å; F249-Y253 AromaticContact CE1-CZ 3.45Å; F249-Y253 VanDerWaalsContact CE1-CZ 3.45Å; F249-Y253 AromaticContact CG-CD1 3.75Å; F249-Y253 HydrophobicContact CG-CD1 3.75Å; F249-Y253 AromaticContact CG-CE1 3.82Å; F249-Y253 HydrophobicContact CG-CE1 3.82Å; F249-Y253 HydrophobicContact CG-CG 4.21Å; F249-Q254 HydrophobicContact CB-CG 4.43Å; F249-Q254 PolarHBondContact O-NE2 3.11Å; F249-R258 VanDerWaalsContact CE2-NH2 3.26Å
250P95.7Very high94.3Very high9 Ų963.5 Ų63.56%0.05831%0.31CS..PPolyproline II helixtrans-61.8162.3-179.2-22.633000113.6N186 C189 I196 M252 Y253 Q254N186-P250 HydrophobicContact CB-CB 4.31Å; N186-P250 WeakPolarHBondContact OD1-CB 3.43Å; C189-P250 HydrophobicContact CB-CG 3.76Å; I196-P250 HydrophobicContact CD1-CG 4.2Å; I196-P250 HydrophobicContact CG1-CG 3.85Å; P250-M252 VanDerWaalsContact C-N 3.29Å; P250-M252 PolarHBondContact O-N 3.42Å; P250-Y253 WeakPolarHBondContact O-CB 3.48Å; P250-Y253 PolarHBondContact O-N 2.73Å; P250-Q254 PolarHBondContact O-N 3.04Å; P250-Q254 VanDerWaalsContact O-N 3.13Å
251S94Very high94.1Very high35 Ų3567.2 Ų67.225%0.24532%0.323CS..Hα-helixtrans-58.2-38.8-173.458.50000113.5N186 Y253 Q254 D255N186-S251 PolarHBondContact ND2-OG 3.09Å; S251-Y253 VanDerWaalsContact C-N 3.32Å; S251-Y253 PolarHBondContact O-N 3.5Å; S251-Q254 PolarHBondContact O-N 2.67Å; S251-D255 PolarHBondContact O-N 3.15Å
252M97.3Very high94.1Very high3 Ų368.9 Ų68.92%0.01533%0.327CS..Hα-helixtrans-64.1-36.5178-171.6172.8-64.700112.7N186 T190 P250 D255 L256 T263 I265 I268 I293N186-M252 HydrophobicContact CB-CB 3.67Å; N186-M252 HydrophobicContact CB-CE 4.15Å; N186-M252 HydrophobicContact CB-SD 4.3Å; T190-M252 HydrophobicContact CG2-CG 4.37Å; P250-M252 VanDerWaalsContact C-N 3.29Å; P250-M252 PolarHBondContact O-N 3.42Å; M252-D255 PolarHBondContact O-N 2.97Å; M252-L256 VanDerWaalsContact O-CB 3.31Å; M252-L256 WeakPolarHBondContact O-CB 3.19Å; M252-L256 PolarHBondContact O-N 3.46Å; M252-T263 HydrophobicContact CG-CG2 3.74Å; M252-I265 HydrophobicContact CE-CB 3.86Å; M252-I265 HydrophobicContact CE-CD1 3.88Å; M252-I265 HydrophobicContact CE-CG1 4.45Å; M252-I265 HydrophobicContact SD-CB 4.4Å; M252-I265 HydrophobicContact SD-CD1 4.18Å; M252-I268 HydrophobicContact CE-CD1 4.4Å; M252-I293 HydrophobicContact SD-CD1 3.8Å; M252-I293 HydrophobicContact SD-CG1 4.05Å; M252-I293 HydrophobicContact SD-CG2 4.16Å
253Y97.9Very high94.2Very high22 Ų2265.1 Ų65.19%0.08630%0.304CS..Hα-helixtrans-64.1-46.9174.2178-75.3000109.8T190 D193 F249 P250 S251 D255 L256 I257 R258T190-Y253 WeakPolarHBondContact OG1-CA 3.4Å; T190-Y253 PolarHBondContact OG1-N 3.19Å; D193-Y253 WeakPolarHBondContact OD1-CE2 3.39Å; D193-Y253 VanDerWaalsContact OD1-CZ 3.26Å; D193-Y253 PolarHBondContact OD1-OH 3.03Å; F249-Y253 HydrophobicContact CB-CD1 3.57Å; F249-Y253 HydrophobicContact CB-CE1 4.14Å; F249-Y253 HydrophobicContact CB-CG 3.95Å; F249-Y253 AromaticContact CD1-CD1 3.44Å; F249-Y253 HydrophobicContact CD1-CD1 3.44Å; F249-Y253 VanDerWaalsContact CD1-CD1 3.44Å; F249-Y253 AromaticContact CD1-CD2 3.61Å; F249-Y253 HydrophobicContact CD1-CD2 3.61Å; F249-Y253 AromaticContact CD1-CE1 3.34Å; F249-Y253 HydrophobicContact CD1-CE1 3.34Å; F249-Y253 AromaticContact CD1-CE2 3.47Å; F249-Y253 HydrophobicContact CD1-CE2 3.47Å; F249-Y253 VanDerWaalsContact CD1-CE2 3.47Å; F249-Y253 AromaticContact CD1-CG 3.62Å; F249-Y253 HydrophobicContact CD1-CG 3.62Å; F249-Y253 AromaticContact CD1-CZ 3.38Å; F249-Y253 HydrophobicContact CE1-CD1 4.35Å; F249-Y253 HydrophobicContact CE1-CD2 4.22Å; F249-Y253 AromaticContact CE1-CE1 3.81Å; F249-Y253 HydrophobicContact CE1-CE1 3.81Å; F249-Y253 AromaticContact CE1-CE2 3.64Å; F249-Y253 HydrophobicContact CE1-CE2 3.64Å; F249-Y253 AromaticContact CE1-CZ 3.45Å; F249-Y253 VanDerWaalsContact CE1-CZ 3.45Å; F249-Y253 AromaticContact CG-CD1 3.75Å; F249-Y253 HydrophobicContact CG-CD1 3.75Å; F249-Y253 AromaticContact CG-CE1 3.82Å; F249-Y253 HydrophobicContact CG-CE1 3.82Å; F249-Y253 HydrophobicContact CG-CG 4.21Å; P250-Y253 WeakPolarHBondContact O-CB 3.48Å; P250-Y253 PolarHBondContact O-N 2.73Å; S251-Y253 VanDerWaalsContact C-N 3.32Å; S251-Y253 PolarHBondContact O-N 3.5Å; Y253-D255 VanDerWaalsContact C-N 3.33Å; Y253-D255 PolarHBondContact O-N 3.42Å; Y253-L256 PolarHBondContact O-N 2.81Å; Y253-I257 HydrophobicContact CD1-CB 4.2Å; Y253-I257 HydrophobicContact CD2-CB 4.25Å; Y253-I257 HydrophobicContact CD2-CG1 3.87Å; Y253-I257 HydrophobicContact CE1-CB 4.02Å; Y253-I257 HydrophobicContact CE1-CG2 4.12Å; Y253-I257 HydrophobicContact CE2-CB 4.09Å; Y253-I257 HydrophobicContact CE2-CG1 3.97Å; Y253-I257 HydrophobicContact CE2-CG2 4.06Å; Y253-I257 HydrophobicContact CG-CB 4.28Å; Y253-I257 HydrophobicContact CG-CG1 4.18Å; Y253-I257 WeakPolarHBondContact O-CA 3.42Å; Y253-I257 WeakPolarHBondContact O-CB 3.36Å; Y253-I257 PolarHBondContact O-N 2.72Å; Y253-R258 HydrophobicContact CD1-CG 4.15Å; Y253-R258 HydrophobicContact CE1-CG 3.72Å; Y253-R258 PolarHBondContact O-N 3.2Å
254Q95.4Very high94.5Very high83 Ų8356.7 Ų56.739%0.38827%0.268SS..Iπ-helixtrans-60.7-44.3179.5-63.9-17957.400111F249 P250 S251 R258 N259F249-Q254 HydrophobicContact CB-CG 4.43Å; F249-Q254 PolarHBondContact O-NE2 3.11Å; P250-Q254 PolarHBondContact O-N 3.04Å; P250-Q254 VanDerWaalsContact O-N 3.13Å; S251-Q254 PolarHBondContact O-N 2.67Å; Q254-R258 WeakPolarHBondContact O-CB 3.49Å; Q254-N259 PolarHBondContact O-N 3.05Å; Q254-N259 PolarHBondContact O-ND2 3.41Å
255D94.7Very high95Very high7 Ų752.9 Ų52.94%0.03724%0.244CC..Iπ-helixtrans-65.8-52.7177.6-73.6-33.2000111.9K70 S251 M252 Y253 N259 H260 R261 T263K70-D255 WeakPolarHBondContact CE-OD2 3.31Å; K70-D255 IonicContact NZ-OD2 3.75Å; K70-D255 PolarHBondContact NZ-OD2 3.02Å; S251-D255 PolarHBondContact O-N 3.15Å; M252-D255 PolarHBondContact O-N 2.97Å; Y253-D255 VanDerWaalsContact C-N 3.33Å; Y253-D255 PolarHBondContact O-N 3.42Å; D255-N259 CarbonylContact O-C 3.34Å; D255-N259 PolarHBondContact O-N 3.02Å; D255-H260 PolarHBondContact O-N 2.89Å; D255-R261 HydrophobicContact CB-CB 4.24Å; D255-R261 PolarHBondContact O-N 3.29Å; D255-R261 IonicContact OD1-CZ 3.07Å; D255-R261 IonicContact OD1-NE 3.05Å; D255-R261 PolarHBondContact OD1-NE 3.41Å; D255-R261 IonicContact OD1-NH2 2.89Å; D255-R261 PolarHBondContact OD1-NH2 3.43Å; D255-T263 HydrophobicContact CB-CG2 4.36Å
256L97.3Very high95.5Very high0 Ų051.4 Ų51.40%024%0.239CC..Iπ-helixtrans-79.1-54.6-171-174.851.6000112.9T190 M252 Y253 H260 T263 I293 K296 K297 L300 A302T190-L256 HydrophobicContact CG2-CB 4.24Å; T190-L256 HydrophobicContact CG2-CD2 3.86Å; T190-L256 HydrophobicContact CG2-CG 4.44Å; M252-L256 VanDerWaalsContact O-CB 3.31Å; M252-L256 WeakPolarHBondContact O-CB 3.19Å; M252-L256 PolarHBondContact O-N 3.46Å; Y253-L256 PolarHBondContact O-N 2.81Å; L256-H260 WeakPolarHBondContact O-CA 3.46Å; L256-H260 PolarHBondContact O-N 3.44Å; L256-T263 HydrophobicContact CB-CG2 3.73Å; L256-T263 HydrophobicContact CD2-CG2 4.33Å; L256-T263 HydrophobicContact CG-CG2 4.45Å; L256-I293 HydrophobicContact CD2-CD1 4.38Å; L256-I293 HydrophobicContact CD2-CG2 4.17Å; L256-K296 HydrophobicContact CD2-CB 4.05Å; L256-K296 HydrophobicContact CD2-CG 3.79Å; L256-K296 HydrophobicContact CG-CG 4.33Å; L256-K297 HydrophobicContact CD1-CB 4.31Å; L256-K297 HydrophobicContact CD1-CG 3.73Å; L256-K297 HydrophobicContact CD2-CG 4.22Å; L256-L300 HydrophobicContact CD1-CD1 3.88Å; L256-L300 HydrophobicContact CG-CD1 3.97Å; L256-L300 WeakPolarHBondContact O-CD1 3.47Å; L256-A302 HydrophobicContact CD1-CB 3.78Å
257I97.4Very high95.7Very high34 Ų3454.4 Ų54.417%0.17425%0.251CS..Iπ-helixtrans-79.6-44.3-170.8-52.9-57.1000111.2T190 Y253 K296 L300T190-I257 HydrophobicContact CG2-CD1 4.15Å; T190-I257 HydrophobicContact CG2-CG1 4.02Å; Y253-I257 HydrophobicContact CD1-CB 4.2Å; Y253-I257 HydrophobicContact CD2-CB 4.25Å; Y253-I257 HydrophobicContact CD2-CG1 3.87Å; Y253-I257 HydrophobicContact CE1-CB 4.02Å; Y253-I257 HydrophobicContact CE1-CG2 4.12Å; Y253-I257 HydrophobicContact CE2-CB 4.09Å; Y253-I257 HydrophobicContact CE2-CG1 3.97Å; Y253-I257 HydrophobicContact CE2-CG2 4.06Å; Y253-I257 HydrophobicContact CG-CB 4.28Å; Y253-I257 HydrophobicContact CG-CG1 4.18Å; Y253-I257 WeakPolarHBondContact O-CA 3.42Å; Y253-I257 WeakPolarHBondContact O-CB 3.36Å; Y253-I257 PolarHBondContact O-N 2.72Å; I257-K296 HydrophobicContact CD1-CG 4.35Å; I257-L300 HydrophobicContact CD1-CD1 4.09Å
258R94.3Very high95.9Very high137 Ų13749.2 Ų49.252%0.51722%0.224SC..Iπ-helixtrans-84.2-34.7-177.1-63.4-175.3174.1173.1-1.5113.9F249 Y253 Q254F249-R258 VanDerWaalsContact CE2-NH2 3.26Å; Y253-R258 HydrophobicContact CD1-CG 4.15Å; Y253-R258 HydrophobicContact CE1-CG 3.72Å; Y253-R258 PolarHBondContact O-N 3.2Å; Q254-R258 WeakPolarHBondContact O-CB 3.49Å
259N93.3Very high96.1Very high80 Ų8043.7 Ų43.743%0.42820%0.199SC..THydrogen-bonded Turntrans-119.3-2.3-169.2-65.1-72.6000114.3Q254 D255 R261Q254-N259 PolarHBondContact O-N 3.05Å; Q254-N259 PolarHBondContact O-ND2 3.41Å; D255-N259 CarbonylContact O-C 3.34Å; D255-N259 PolarHBondContact O-N 3.02Å; N259-R261 HydrophobicContact CB-CG 4.03Å; N259-R261 PolarHBondContact O-N 3.17Å
260H94.4Very high96.2Very high95 Ų9542.2 Ų42.244%0.4419%0.194SC..  trans51.140-179.4-58.7-169.7000112.8D255 L256 A302 K303D255-H260 PolarHBondContact O-N 2.89Å; L256-H260 WeakPolarHBondContact O-CA 3.46Å; L256-H260 PolarHBondContact O-N 3.44Å; H260-A302 CarbonylContact O-C 3.56Å; H260-A302 WeakPolarHBondContact O-CA 3.18Å; H260-K303 PolarHBondContact O-N 3.25Å
261R94.1Very high96.4Very high120 Ų12042.4 Ų42.445%0.45320%0.196SC..  trans-101.5154.4177.6-64.9-168.5-63.3-128.1-1111.5D255 N259 K303D255-R261 HydrophobicContact CB-CB 4.24Å; D255-R261 PolarHBondContact O-N 3.29Å; D255-R261 IonicContact OD1-CZ 3.07Å; D255-R261 IonicContact OD1-NE 3.05Å; D255-R261 PolarHBondContact OD1-NE 3.41Å; D255-R261 IonicContact OD1-NH2 2.89Å; D255-R261 PolarHBondContact OD1-NH2 3.43Å; N259-R261 HydrophobicContact CB-CG 4.03Å; N259-R261 PolarHBondContact O-N 3.17Å; R261-K303 CarbonylContact C-O 3.59Å; R261-K303 WeakPolarHBondContact CA-O 3.5Å
262K94.1Very high96.6Very high112 Ų11240.8 Ų40.849%0.48719%0.185SC..  trans-55.8152.1167-73.5172.4-176166.90111.9M72 K303M72-K262 HydrophobicContact CE-CB 3.49Å; M72-K262 VanDerWaalsContact CE-CB 3.49Å; M72-K262 WeakPolarHBondContact CE-O 3.47Å; K262-K303 WeakPolarHBondContact CD-OXT 3.22Å; K262-K303 WeakPolarHBondContact CE-OXT 3.49Å; K262-K303 WeakPolarHBondContact CG-OXT 3.29Å; K262-K303 PolarHBondContact N-O 3.19Å; K262-K303 PolarHBondContact NZ-OXT 3.41Å
263T95.3Very high96.7Very high4 Ų443.8 Ų43.83%0.02520%0.196CC..  trans-120.3164.4-175.974.10000112.5M72 M252 D255 L256 I265 K297M72-T263 WeakPolarHBondContact CE-O 3.49Å; M252-T263 HydrophobicContact CG-CG2 3.74Å; D255-T263 HydrophobicContact CB-CG2 4.36Å; L256-T263 HydrophobicContact CB-CG2 3.73Å; L256-T263 HydrophobicContact CD2-CG2 4.33Å; L256-T263 HydrophobicContact CG-CG2 4.45Å; T263-I265 PolarHBondContact O-N 2.87Å; T263-K297 WeakPolarHBondContact OG1-CE 3.41Å
264E96.3Very high96.7Very high7 Ų747.5 Ų47.53%0.03321%0.214CC..SBendtrans-82.113.6178.9-65.8152109.200113.7K70 D266 Y267 I268K70-E264 HydrophobicContact CD-CG 4.05Å; K70-E264 IonicContact NZ-OE2 2.7Å; K70-E264 PolarHBondContact NZ-OE2 3.39Å; E264-D266 PolarHBondContact O-N 2.7Å; E264-D266 VanDerWaalsContact O-N 3.14Å; E264-Y267 CarbonylContact O-C 3.07Å; E264-Y267 WeakPolarHBondContact O-CA 3.47Å; E264-Y267 PolarHBondContact O-N 3.27Å; E264-I268 HydrophobicContact CB-CD1 3.96Å; E264-I268 HydrophobicContact CB-CG1 4.44Å; E264-I268 WeakPolarHBondContact O-CG1 3.41Å; E264-I268 PolarHBondContact O-N 3.38Å
265I98.1Very high96.8Very high0 Ų045.7 Ų45.70%021%0.205CC..G310 helixtrans-53.1-39-174.1-171.463.4000113.5M252 T263 Y267 I268 N269 G270 T290 I293M252-I265 HydrophobicContact CE-CB 3.86Å; M252-I265 HydrophobicContact CE-CD1 3.88Å; M252-I265 HydrophobicContact CE-CG1 4.45Å; M252-I265 HydrophobicContact SD-CB 4.4Å; M252-I265 HydrophobicContact SD-CD1 4.18Å; T263-I265 PolarHBondContact O-N 2.87Å; I265-Y267 PolarHBondContact O-N 3.23Å; I265-I268 PolarHBondContact O-N 3.13Å; I265-I268 VanDerWaalsContact O-N 3.09Å; I265-N269 HydrophobicContact CD1-CB 3.83Å; I265-N269 WeakPolarHBondContact CD1-OD1 3.39Å; I265-N269 PolarHBondContact O-N 3.27Å; I265-N269 VanDerWaalsContact O-N 3.15Å; I265-G270 PolarHBondContact O-N 2.83Å; I265-T290 HydrophobicContact CG1-CG2 4.16Å; I265-I293 HydrophobicContact CB-CB 4.39Å; I265-I293 HydrophobicContact CB-CG2 3.86Å; I265-I293 HydrophobicContact CD1-CB 4.39Å; I265-I293 HydrophobicContact CD1-CG1 4.13Å; I265-I293 HydrophobicContact CG1-CB 3.98Å; I265-I293 HydrophobicContact CG1-CG1 4.28Å; I265-I293 HydrophobicContact CG1-CG2 4.02Å; I265-I293 HydrophobicContact CG2-CB 4.5Å; I265-I293 HydrophobicContact CG2-CG2 3.83Å
266D97.8Very high97Very high69 Ų6945.4 Ų45.437%0.36920%0.203SC..G310 helixtrans-69.8-19.1179.8-60.5-59.6000113.2E264 G270 A271 H294 K297E264-D266 PolarHBondContact O-N 2.7Å; E264-D266 VanDerWaalsContact O-N 3.14Å; D266-G270 CarbonylContact O-C 3.35Å; D266-A271 PolarHBondContact O-N 2.98Å; D266-H294 IonicContact OD1-CD2 2.63Å; D266-H294 IonicContact OD1-CE1 3.12Å; D266-H294 PolarHBondContact OD1-CE1 3.45Å; D266-H294 VanDerWaalsContact OD1-CE1 3.27Å; D266-H294 IonicContact OD1-NE2 3.41Å; D266-H294 PolarHBondContact OD1-NE2 3.13Å; D266-H294 IonicContact OD2-CE1 2.72Å; D266-H294 PolarHBondContact OD2-CE1 3.27Å; D266-H294 IonicContact OD2-NE2 2.81Å; D266-H294 PolarHBondContact OD2-NE2 3.1Å; D266-K297 IonicContact OD2-NZ 3.76Å
267Y97.9Very high97.1Very high62 Ų6250.3 Ų50.324%0.24323%0.225CC..G310 helixtrans-98.2-3.1176.2-63.4-92.7000111.8M72 G97 L98 E264 I265M72-Y267 VanDerWaalsContact CA-CE2 3.45Å; M72-Y267 WeakPolarHBondContact CA-OH 3.16Å; M72-Y267 HydrophobicContact CB-CE2 3.62Å; G97-Y267 CarbonylContact C-O 3.46Å; G97-Y267 WeakPolarHBondContact CA-O 3.37Å; L98-Y267 PolarHBondContact N-O 3.46Å; E264-Y267 CarbonylContact O-C 3.07Å; E264-Y267 WeakPolarHBondContact O-CA 3.47Å; E264-Y267 PolarHBondContact O-N 3.27Å; I265-Y267 PolarHBondContact O-N 3.23Å
268I98.4Very high97.1Very high1 Ų154.8 Ų54.81%0.00525%0.249CC..THydrogen-bonded Turntrans-117.3-91.5-179.3-58.4169.9000108.7A179 N182 F216 M252 E264 I265 A271 V272A179-I268 WeakPolarHBondContact O-CG2 3.34Å; N182-I268 HydrophobicContact CB-CD1 4.13Å; N182-I268 HydrophobicContact CB-CG2 4.37Å; F216-I268 HydrophobicContact CZ-CG2 4.04Å; M252-I268 HydrophobicContact CE-CD1 4.4Å; E264-I268 HydrophobicContact CB-CD1 3.96Å; E264-I268 HydrophobicContact CB-CG1 4.44Å; E264-I268 WeakPolarHBondContact O-CG1 3.41Å; E264-I268 PolarHBondContact O-N 3.38Å; I265-I268 PolarHBondContact O-N 3.13Å; I265-I268 VanDerWaalsContact O-N 3.09Å; I268-A271 PolarHBondContact O-N 3.31Å; I268-V272 PolarHBondContact O-N 2.95Å
269N98.8Very high97.3Very high0 Ų053.2 Ų53.20%024%0.244CC..Hα-helixtrans-69.4-37.6178.8-59.980.5000111.9G183 I265 A271 V272 W273 C286 T290G183-N269 VanDerWaalsContact CA-OD1 3.27Å; G183-N269 WeakPolarHBondContact CA-OD1 3.37Å; G183-N269 PolarHBondContact O-ND2 3.27Å; G183-N269 PolarHBondContact O-OD1 3.36Å; I265-N269 HydrophobicContact CD1-CB 3.83Å; I265-N269 WeakPolarHBondContact CD1-OD1 3.39Å; I265-N269 PolarHBondContact O-N 3.27Å; I265-N269 VanDerWaalsContact O-N 3.15Å; N269-A271 VanDerWaalsContact C-N 3.28Å; N269-A271 PolarHBondContact O-N 2.76Å; N269-V272 PolarHBondContact O-N 3.47Å; N269-W273 WeakPolarHBondContact O-CB 3.41Å; N269-W273 PolarHBondContact O-N 2.7Å; N269-C286 HydrophobicContact CB-CB 4.09Å; N269-T290 WeakPolarHBondContact CB-OG1 3.17Å
270G98.6Very high97.5Very high6 Ų658.2 Ų58.26%0.06226%0.264CS..Hα-helixtrans-65.3-34.1177.800000112.2I265 D266 W273 Q274 T290I265-G270 PolarHBondContact O-N 2.83Å; D266-G270 CarbonylContact O-C 3.35Å; G270-W273 PolarHBondContact O-N 3.17Å; G270-Q274 PolarHBondContact O-N 3.45Å; G270-T290 WeakPolarHBondContact CA-OG1 3.34Å; G270-T290 PolarHBondContact N-OG1 2.95Å; G270-T290 VanDerWaalsContact N-OG1 3.11Å
271A98.4Very high97.7Very high14 Ų1455.8 Ų55.812%0.11626%0.255CS..Hα-helixtrans-69.2-43175.200000111.6L98 D266 I268 N269 W273 Q274 K275L98-A271 HydrophobicContact CB-CB 3.93Å; L98-A271 HydrophobicContact CD1-CB 4.3Å; D266-A271 PolarHBondContact O-N 2.98Å; I268-A271 PolarHBondContact O-N 3.31Å; N269-A271 VanDerWaalsContact C-N 3.28Å; N269-A271 PolarHBondContact O-N 2.76Å; A271-W273 VanDerWaalsContact C-N 3.3Å; A271-W273 PolarHBondContact O-N 2.85Å; A271-Q274 PolarHBondContact O-N 3.38Å; A271-K275 WeakPolarHBondContact O-CB 3.4Å; A271-K275 WeakPolarHBondContact O-CG 3.39Å; A271-K275 PolarHBondContact O-N 2.83Å
272V98.7Very high98Very high0 Ų057.1 Ų57.10%027%0.27CS..Hα-helixtrans-60.3-42.8171.7171.30000110.8L98 W176 F216 V219 I268 N269 K275 G276 T283 C286L98-V272 HydrophobicContact CD1-CG2 3.94Å; W176-V272 HydrophobicContact CZ3-CG2 4.02Å; F216-V272 HydrophobicContact CD1-CG2 3.52Å; F216-V272 HydrophobicContact CD2-CG2 4.28Å; F216-V272 HydrophobicContact CE1-CB 4.5Å; F216-V272 HydrophobicContact CE1-CG2 3.29Å; F216-V272 HydrophobicContact CE2-CG2 4.1Å; F216-V272 HydrophobicContact CG-CG2 4.02Å; F216-V272 HydrophobicContact CZ-CB 4.42Å; F216-V272 HydrophobicContact CZ-CG2 3.6Å; V219-V272 HydrophobicContact CB-CG1 4.17Å; V219-V272 HydrophobicContact CG2-CG1 3.86Å; I268-V272 PolarHBondContact O-N 2.95Å; N269-V272 PolarHBondContact O-N 3.47Å; V272-K275 PolarHBondContact O-N 2.79Å; V272-G276 PolarHBondContact O-N 3.29Å; V272-T283 HydrophobicContact CG1-CG2 4.04Å; V272-C286 HydrophobicContact CG1-CB 4.31Å
273W98.7Very high98.2Very high66 Ų6652 Ų5225%0.2525%0.249CC..Hα-helixtrans-62.1-45.6177.8179.131.3000112.9N269 G270 A271 G276 K277 T283 A287 T290N269-W273 WeakPolarHBondContact O-CB 3.41Å; N269-W273 PolarHBondContact O-N 2.7Å; G270-W273 PolarHBondContact O-N 3.17Å; A271-W273 VanDerWaalsContact C-N 3.3Å; A271-W273 PolarHBondContact O-N 2.85Å; W273-G276 PolarHBondContact O-N 3.07Å; W273-K277 VanDerWaalsContact CE2-CE 3.48Å; W273-K277 VanDerWaalsContact CZ2-NZ 3.32Å; W273-K277 PolarHBondContact O-N 3.31Å; W273-T283 WeakPolarHBondContact CA-OG1 3.27Å; W273-A287 HydrophobicContact CD2-CB 3.55Å; W273-A287 HydrophobicContact CE3-CB 4.19Å; W273-A287 HydrophobicContact CG-CB 3.71Å; W273-A287 HydrophobicContact CZ2-CB 3.92Å; W273-T290 HydrophobicContact CE3-CG2 4.33Å; W273-T290 HydrophobicContact CZ3-CG2 4.48Å
274Q98.5Very high98.3Very high101 Ų10155.4 Ų55.447%0.47227%0.271SS..Hα-helixtrans-67-42.6177.6-81.4-65.38.200112.8G270 A271 G276 K277 N278G270-Q274 PolarHBondContact O-N 3.45Å; A271-Q274 PolarHBondContact O-N 3.38Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 2.73Å; Q274-K277 WeakPolarHBondContact O-CB 3.36Å; Q274-K277 PolarHBondContact O-N 3.41Å; Q274-N278 PolarHBondContact O-N 3.48Å; Q274-N278 VanDerWaalsContact O-N 3.14Å
275K98.4Very high98.4Very high45 Ų4560.2 Ų60.220%0.19629%0.29CS..Hα-helixtrans-62.4-40.8173.8-74.1176.2174.4-76.20111.4W176 V219 E223 A271 V272 K277 N278 Y279W176-K275 HydrophobicContact CH2-CD 4.07Å; W176-K275 HydrophobicContact CZ2-CD 4.12Å; V219-K275 HydrophobicContact CG1-CB 3.49Å; V219-K275 VanDerWaalsContact CG1-CB 3.49Å; V219-K275 HydrophobicContact CG1-CD 4.43Å; E223-K275 HydrophobicContact CG-CD 4.38Å; E223-K275 IonicContact OE1-NZ 2.84Å; E223-K275 PolarHBondContact OE1-NZ 3.14Å; E223-K275 IonicContact OE2-NZ 2.76Å; E223-K275 PolarHBondContact OE2-NZ 2.81Å; A271-K275 WeakPolarHBondContact O-CB 3.4Å; A271-K275 WeakPolarHBondContact O-CG 3.39Å; A271-K275 PolarHBondContact O-N 2.83Å; V272-K275 PolarHBondContact O-N 2.79Å; K275-K277 PolarHBondContact O-N 2.92Å; K275-N278 WeakPolarHBondContact O-CB 3.41Å; K275-N278 PolarHBondContact O-N 3.23Å; K275-N278 VanDerWaalsContact O-N 3.09Å; K275-Y279 HydrophobicContact CB-CD2 4.49Å; K275-Y279 WeakPolarHBondContact O-CD2 3.35Å; K275-Y279 PolarHBondContact O-N 3.26Å
276G98.6Very high98.5Very high0 Ų060.2 Ų60.20%029%0.29CS..Hα-helixtrans-54.8-47.9173.900000112.2V272 W273 Q274 N278 Y279 Q280 I281V272-G276 PolarHBondContact O-N 3.29Å; W273-G276 PolarHBondContact O-N 3.07Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 2.73Å; G276-N278 VanDerWaalsContact C-N 3.34Å; G276-N278 PolarHBondContact O-N 3.24Å; G276-Y279 CarbonylContact O-C 3.47Å; G276-Y279 PolarHBondContact O-N 3.04Å; G276-Q280 WeakPolarHBondContact O-CA 3.46Å; G276-Q280 PolarHBondContact O-N 2.86Å; G276-I281 CarbonylContact C-O 3.28Å; G276-I281 VanDerWaalsContact C-O 3.28Å; G276-I281 WeakPolarHBondContact CA-O 3.29Å; G276-I281 PolarHBondContact O-N 3.48Å
277K98.5Very high98.5Very high104 Ų10457.3 Ų57.345%0.45228%0.275SS..Hα-helixtrans-56.9-44.6173.4-71.6178.6-179169.10112.8W273 Q274 K275 Y279 Q280W273-K277 VanDerWaalsContact CE2-CE 3.48Å; W273-K277 VanDerWaalsContact CZ2-NZ 3.32Å; W273-K277 PolarHBondContact O-N 3.31Å; Q274-K277 WeakPolarHBondContact O-CB 3.36Å; Q274-K277 PolarHBondContact O-N 3.41Å; K275-K277 PolarHBondContact O-N 2.92Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 2.95Å; K277-Q280 PolarHBondContact O-N 3.35Å
278N98Very high98.6Very high128 Ų12860 Ų6068%0.68429%0.288SS*.Hα-helixtrans-64.3-34.3179.9-66.1-17.1000112.5Q274 K275 G276Q274-N278 PolarHBondContact O-N 3.48Å; Q274-N278 VanDerWaalsContact O-N 3.14Å; K275-N278 WeakPolarHBondContact O-CB 3.41Å; K275-N278 PolarHBondContact O-N 3.23Å; K275-N278 VanDerWaalsContact O-N 3.09Å; G276-N278 VanDerWaalsContact C-N 3.34Å; G276-N278 PolarHBondContact O-N 3.24Å
279Y98.2Very high98.6Very high103 Ų10360.4 Ų60.440%0.40429%0.29SS..Hα-helixtrans-942.6177.6-68.2-64.2000114.5A222 E223 K275 G276 K277 I281A222-Y279 HydrophobicContact CB-CD1 3.91Å; A222-Y279 HydrophobicContact CB-CD2 3.76Å; A222-Y279 HydrophobicContact CB-CE1 4.19Å; A222-Y279 HydrophobicContact CB-CE2 4.07Å; A222-Y279 HydrophobicContact CB-CG 3.68Å; E223-Y279 HydrophobicContact CG-CE2 3.93Å; E223-Y279 VanDerWaalsContact OE1-CE2 3.27Å; E223-Y279 WeakPolarHBondContact OE1-CE2 3.19Å; E223-Y279 PolarHBondContact OE1-OH 3.21Å; K275-Y279 HydrophobicContact CB-CD2 4.49Å; K275-Y279 WeakPolarHBondContact O-CD2 3.35Å; K275-Y279 PolarHBondContact O-N 3.26Å; G276-Y279 CarbonylContact O-C 3.47Å; G276-Y279 PolarHBondContact O-N 3.04Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 2.95Å; Y279-I281 PolarHBondContact O-N 2.98Å
280Q98.4Very high98.6Very high185 Ų18560.4 Ų60.486%0.86429%0.29SS*.THydrogen-bonded Turntrans56.437.4-174.1-54.6174.6-17.300112.8G276 K277G276-Q280 WeakPolarHBondContact O-CA 3.46Å; G276-Q280 PolarHBondContact O-N 2.86Å; K277-Q280 PolarHBondContact O-N 3.35Å
281I98.7Very high98.6Very high45 Ų4565.2 Ų65.223%0.23131%0.311CS..  trans-105.5122.6174.6-62.1172.9000108.1A218 V219 A222 G276 Y279 T283A218-I281 HydrophobicContact CB-CG2 3.79Å; A218-I281 WeakPolarHBondContact O-CD1 3.33Å; V219-I281 HydrophobicContact CG2-CB 4.45Å; V219-I281 HydrophobicContact CG2-CG2 4.12Å; A222-I281 HydrophobicContact CB-CD1 3.79Å; G276-I281 CarbonylContact C-O 3.28Å; G276-I281 VanDerWaalsContact C-O 3.28Å; G276-I281 WeakPolarHBondContact CA-O 3.29Å; G276-I281 PolarHBondContact O-N 3.48Å; Y279-I281 PolarHBondContact O-N 2.98Å; I281-T283 HydrophobicContact CG2-CG2 4.34Å; I281-T283 PolarHBondContact O-N 3.48Å
282D98.7Very high98.6Very high147 Ų14767.1 Ų67.179%0.78632%0.319SS*.  trans-70.3125.9177.3-72.8-30.5000111P284D282-P284 VanDerWaalsContact C-CD 3.41Å
283T98.7Very high98.6Very high5 Ų567.1 Ų67.13%0.03132%0.319CS..  trans-131.357.1175.565.80000111.4E215 V219 V272 W273 I281 Y285 C286 A287E215-T283 HydrophobicContact CB-CG2 4.11Å; E215-T283 VanDerWaalsContact CD-C 3.4Å; E215-T283 HydrophobicContact CG-CG2 4.47Å; E215-T283 WeakPolarHBondContact OE1-CA 3.37Å; E215-T283 VanDerWaalsContact OE2-C 3.29Å; E215-T283 WeakPolarHBondContact OE2-CA 3.31Å; E215-T283 WeakPolarHBondContact OE2-CB 3.42Å; V219-T283 HydrophobicContact CG2-CG2 3.61Å; V272-T283 HydrophobicContact CG1-CG2 4.04Å; W273-T283 WeakPolarHBondContact CA-OG1 3.27Å; I281-T283 HydrophobicContact CG2-CG2 4.34Å; I281-T283 PolarHBondContact O-N 3.48Å; T283-Y285 VanDerWaalsContact C-N 3.3Å; T283-Y285 PolarHBondContact O-N 3.38Å; T283-C286 PolarHBondContact O-N 2.86Å; T283-A287 WeakPolarHBondContact O-CB 3.35Å; T283-A287 PolarHBondContact O-N 3.23Å
284P98.6Very high98.5Very high75 Ų7566.8 Ų66.849%0.48732%0.32SS..Hα-helixtrans-59.9-32.8-173.424.1-35.1000114E215 D282 A287 F288E215-P284 WeakPolarHBondContact OE1-CD 3.49Å; E215-P284 WeakPolarHBondContact OE1-CG 3.46Å; D282-P284 VanDerWaalsContact C-CD 3.41Å; P284-A287 PolarHBondContact O-N 2.97Å; P284-F288 WeakPolarHBondContact O-CB 3.47Å; P284-F288 PolarHBondContact O-N 2.86Å
285Y98.7Very high98.5Very high109 Ų10964.2 Ų64.243%0.42732%0.316SS..Hα-helixtrans-75-40.6-180-72.8-98.8000111.8T211 E215 T283 A287 F288 L289T211-Y285 HydrophobicContact CG2-CD1 3.96Å; T211-Y285 HydrophobicContact CG2-CD2 3.26Å; T211-Y285 HydrophobicContact CG2-CE1 3.99Å; T211-Y285 HydrophobicContact CG2-CE2 3.32Å; T211-Y285 HydrophobicContact CG2-CG 3.6Å; E215-Y285 WeakPolarHBondContact OE1-CB 3.34Å; E215-Y285 WeakPolarHBondContact OE1-CD2 3.43Å; E215-Y285 PolarHBondContact OE1-N 3.13Å; E215-Y285 PolarHBondContact OE2-N 3.02Å; T283-Y285 VanDerWaalsContact C-N 3.3Å; T283-Y285 PolarHBondContact O-N 3.38Å; Y285-A287 VanDerWaalsContact C-N 3.31Å; Y285-A287 PolarHBondContact O-N 2.77Å; Y285-F288 PolarHBondContact O-N 2.9Å; Y285-L289 VanDerWaalsContact O-CB 3.27Å; Y285-L289 WeakPolarHBondContact O-CB 3.4Å; Y285-L289 PolarHBondContact O-N 3.36Å
286C98.9Very high98.5Very high0 Ų065.6 Ų65.60%032%0.322CS..Hα-helixtrans-61.8-41.4170.8-70.30000111.2E215 N269 V272 T283 T290E215-C286 WeakPolarHBondContact OE2-CB 3.45Å; E215-C286 PolarHBondContact OE2-N 2.85Å; E215-C286 PolarHBondContact OE2-SG 2.97Å; N269-C286 HydrophobicContact CB-CB 4.09Å; V272-C286 HydrophobicContact CG1-CB 4.31Å; T283-C286 PolarHBondContact O-N 2.86Å; C286-T290 VanDerWaalsContact O-CB 3.29Å; C286-T290 WeakPolarHBondContact O-CB 3.48Å; C286-T290 PolarHBondContact O-N 2.83Å; C286-T290 PolarHBondContact O-OG1 3.38Å
287A98.8Very high98.4Very high8 Ų866.8 Ų66.87%0.06633%0.327CS..Hα-helixtrans-62-47.5174.900000111.9W273 T283 P284 Y285 T290 Q291W273-A287 HydrophobicContact CD2-CB 3.55Å; W273-A287 HydrophobicContact CE3-CB 4.19Å; W273-A287 HydrophobicContact CG-CB 3.71Å; W273-A287 HydrophobicContact CZ2-CB 3.92Å; T283-A287 WeakPolarHBondContact O-CB 3.35Å; T283-A287 PolarHBondContact O-N 3.23Å; P284-A287 PolarHBondContact O-N 2.97Å; Y285-A287 VanDerWaalsContact C-N 3.31Å; Y285-A287 PolarHBondContact O-N 2.77Å; A287-T290 PolarHBondContact O-N 3.35Å; A287-Q291 WeakPolarHBondContact O-CG 3.49Å; A287-Q291 PolarHBondContact O-N 3.31Å; A287-Q291 PolarHBondContact O-NE2 3.33Å
288F98.7Very high98.3Very high119 Ų11969 Ų6952%0.52234%0.339SS..Hα-helixtrans-66.3-45.4-178.1-177.4-119.8000111.7P284 Y285 T290 Q291 L292P284-F288 WeakPolarHBondContact O-CB 3.47Å; P284-F288 PolarHBondContact O-N 2.86Å; Y285-F288 PolarHBondContact O-N 2.9Å; F288-T290 VanDerWaalsContact C-N 3.31Å; F288-T290 PolarHBondContact O-N 3.03Å; F288-Q291 PolarHBondContact O-N 3.4Å; F288-L292 HydrophobicContact CD1-CD1 3.84Å; F288-L292 HydrophobicContact CD1-CG 4.43Å; F288-L292 HydrophobicContact CD2-CG 4.48Å; F288-L292 HydrophobicContact CE1-CD1 3.42Å; F288-L292 VanDerWaalsContact CE1-CD1 3.42Å; F288-L292 HydrophobicContact CE1-CG 4.11Å; F288-L292 HydrophobicContact CE2-CD1 4.35Å; F288-L292 HydrophobicContact CE2-CD2 4.31Å; F288-L292 HydrophobicContact CE2-CG 4.15Å; F288-L292 HydrophobicContact CG-CD1 4.48Å; F288-L292 HydrophobicContact CZ-CD1 3.71Å; F288-L292 HydrophobicContact CZ-CD2 4.08Å; F288-L292 HydrophobicContact CZ-CG 3.96Å; F288-L292 WeakPolarHBondContact O-CG 3.27Å; F288-L292 PolarHBondContact O-N 3.03Å
289L98.5Very high98.2Very high8 Ų869.5 Ų69.54%0.04234%0.341CS..Hα-helixtrans-64.3-37.7177.8-166.558000111.8L188 I191 I212 Y285 L292 I293L188-L289 HydrophobicContact CG-CD2 4.49Å; I191-L289 HydrophobicContact CG1-CD1 4.26Å; I212-L289 HydrophobicContact CD1-CD2 4.19Å; Y285-L289 VanDerWaalsContact O-CB 3.27Å; Y285-L289 WeakPolarHBondContact O-CB 3.4Å; Y285-L289 PolarHBondContact O-N 3.36Å; L289-L292 PolarHBondContact O-N 3.2Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.06Å; L289-I293 PolarHBondContact O-N 2.92Å
290T98.8Very high98.1Very high1 Ų166.7 Ų66.71%0.00633%0.333CS..Hα-helixtrans-59.3-48.5173.1-59.60000111.2I265 N269 G270 W273 C286 A287 F288 I293 H294I265-T290 HydrophobicContact CG1-CG2 4.16Å; N269-T290 WeakPolarHBondContact CB-OG1 3.17Å; G270-T290 WeakPolarHBondContact CA-OG1 3.34Å; G270-T290 PolarHBondContact N-OG1 2.95Å; G270-T290 VanDerWaalsContact N-OG1 3.11Å; W273-T290 HydrophobicContact CE3-CG2 4.33Å; W273-T290 HydrophobicContact CZ3-CG2 4.48Å; C286-T290 VanDerWaalsContact O-CB 3.29Å; C286-T290 WeakPolarHBondContact O-CB 3.48Å; C286-T290 PolarHBondContact O-N 2.83Å; C286-T290 PolarHBondContact O-OG1 3.38Å; A287-T290 PolarHBondContact O-N 3.35Å; F288-T290 VanDerWaalsContact C-N 3.31Å; F288-T290 PolarHBondContact O-N 3.03Å; T290-I293 PolarHBondContact O-N 3.49Å; T290-H294 PolarHBondContact O-CD2 3.44Å; T290-H294 PolarHBondContact O-N 3.14Å
291Q98.7Very high97.9Very high106 Ų10664 Ų6450%0.49532%0.324SS..Hα-helixtrans-64.6-41.9178.3-71.9168.89100112.6A287 F288 I293 H294 A295A287-Q291 WeakPolarHBondContact O-CG 3.49Å; A287-Q291 PolarHBondContact O-N 3.31Å; A287-Q291 PolarHBondContact O-NE2 3.33Å; F288-Q291 PolarHBondContact O-N 3.4Å; Q291-I293 VanDerWaalsContact C-N 3.35Å; Q291-I293 PolarHBondContact O-N 3.16Å; Q291-H294 PolarHBondContact O-N 3.37Å; Q291-A295 WeakPolarHBondContact O-CB 3.46Å; Q291-A295 PolarHBondContact O-N 3.17Å
292L98.4Very high97.4Very high55 Ų5562.7 Ų62.729%0.28832%0.32SS..Hα-helixtrans-60.2-43.9176.3-78177.3000112.2I191 F288 L289 A295 K296I191-L292 HydrophobicContact CD1-CB 3.97Å; I191-L292 HydrophobicContact CG1-CB 4.13Å; I191-L292 HydrophobicContact CG2-CD1 4.37Å; F288-L292 HydrophobicContact CD1-CD1 3.84Å; F288-L292 HydrophobicContact CD1-CG 4.43Å; F288-L292 HydrophobicContact CD2-CG 4.48Å; F288-L292 HydrophobicContact CE1-CD1 3.42Å; F288-L292 VanDerWaalsContact CE1-CD1 3.42Å; F288-L292 HydrophobicContact CE1-CG 4.11Å; F288-L292 HydrophobicContact CE2-CD1 4.35Å; F288-L292 HydrophobicContact CE2-CD2 4.31Å; F288-L292 HydrophobicContact CE2-CG 4.15Å; F288-L292 HydrophobicContact CG-CD1 4.48Å; F288-L292 HydrophobicContact CZ-CD1 3.71Å; F288-L292 HydrophobicContact CZ-CD2 4.08Å; F288-L292 HydrophobicContact CZ-CG 3.96Å; F288-L292 WeakPolarHBondContact O-CG 3.27Å; F288-L292 PolarHBondContact O-N 3.03Å; L289-L292 PolarHBondContact O-N 3.2Å; L292-A295 PolarHBondContact O-N 3.2Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 2.79Å
293I98.4Very high96.5Very high0 Ų065.1 Ų65.10%032%0.324CS..Hα-helixtrans-67.1-39.3178.2-67.9-71.7000110.7T190 I191 M252 L256 I265 L289 T290 Q291 K296 K297T190-I293 HydrophobicContact CG2-CD1 3.59Å; I191-I293 HydrophobicContact CD1-CD1 3.7Å; I191-I293 HydrophobicContact CD1-CG1 4.28Å; I191-I293 HydrophobicContact CG1-CD1 3.75Å; I191-I293 HydrophobicContact CG1-CG1 4.29Å; M252-I293 HydrophobicContact SD-CD1 3.8Å; M252-I293 HydrophobicContact SD-CG1 4.05Å; M252-I293 HydrophobicContact SD-CG2 4.16Å; L256-I293 HydrophobicContact CD2-CD1 4.38Å; L256-I293 HydrophobicContact CD2-CG2 4.17Å; I265-I293 HydrophobicContact CB-CB 4.39Å; I265-I293 HydrophobicContact CB-CG2 3.86Å; I265-I293 HydrophobicContact CD1-CB 4.39Å; I265-I293 HydrophobicContact CD1-CG1 4.13Å; I265-I293 HydrophobicContact CG1-CB 3.98Å; I265-I293 HydrophobicContact CG1-CG1 4.28Å; I265-I293 HydrophobicContact CG1-CG2 4.02Å; I265-I293 HydrophobicContact CG2-CB 4.5Å; I265-I293 HydrophobicContact CG2-CG2 3.83Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.06Å; L289-I293 PolarHBondContact O-N 2.92Å; T290-I293 PolarHBondContact O-N 3.49Å; Q291-I293 VanDerWaalsContact C-N 3.35Å; Q291-I293 PolarHBondContact O-N 3.16Å; I293-K296 PolarHBondContact O-N 3.37Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.38Å; I293-K297 PolarHBondContact O-N 3.09Å
294H98Very high96.4Very high58 Ų5868.1 Ų68.127%0.26934%0.339SS..Hα-helixtrans-61.4-47.4172.4-76.8-54.1000112.5D266 T290 Q291 K296 K297 E298D266-H294 IonicContact OD1-CD2 2.63Å; D266-H294 IonicContact OD1-CE1 3.12Å; D266-H294 PolarHBondContact OD1-CE1 3.45Å; D266-H294 VanDerWaalsContact OD1-CE1 3.27Å; D266-H294 IonicContact OD1-NE2 3.41Å; D266-H294 PolarHBondContact OD1-NE2 3.13Å; D266-H294 IonicContact OD2-CE1 2.72Å; D266-H294 PolarHBondContact OD2-CE1 3.27Å; D266-H294 IonicContact OD2-NE2 2.81Å; D266-H294 PolarHBondContact OD2-NE2 3.1Å; T290-H294 PolarHBondContact O-CD2 3.44Å; T290-H294 PolarHBondContact O-N 3.14Å; Q291-H294 PolarHBondContact O-N 3.37Å; H294-K296 VanDerWaalsContact C-N 3.27Å; H294-K296 PolarHBondContact O-N 3.47Å; H294-K297 PolarHBondContact CE1-NZ 3.43Å; H294-K297 VanDerWaalsContact CE1-NZ 3.3Å; H294-K297 PolarHBondContact ND1-NZ 3.31Å; H294-K297 VanDerWaalsContact ND1-NZ 3.19Å; H294-K297 WeakPolarHBondContact O-CB 3.48Å; H294-K297 PolarHBondContact O-N 3.42Å; H294-K297 VanDerWaalsContact O-N 3.08Å; H294-E298 PolarHBondContact O-N 3.36Å
295A98.2Very high96.2Very high47 Ų4767.7 Ų67.739%0.38833%0.331SS..Hα-helixtrans-58.4-40.317500000111.8Q291 L292 E298 L299Q291-A295 WeakPolarHBondContact O-CB 3.46Å; Q291-A295 PolarHBondContact O-N 3.17Å; L292-A295 PolarHBondContact O-N 3.2Å; A295-E298 PolarHBondContact O-N 3.06Å; A295-L299 WeakPolarHBondContact O-CG 3.44Å; A295-L299 PolarHBondContact O-N 3.29Å; A295-L299 VanDerWaalsContact O-N 3.09Å
296K97.8Very high96.1Very high74 Ų7465.4 Ų65.432%0.32233%0.326SS..Hα-helixtrans-65.8-38.4175.6-17267173.7-171.40112.4I191 L256 I257 L292 I293 H294 L299 L300I191-K296 HydrophobicContact CD1-CB 4.1Å; I191-K296 HydrophobicContact CD1-CG 4.47Å; L256-K296 HydrophobicContact CD2-CB 4.05Å; L256-K296 HydrophobicContact CD2-CG 3.79Å; L256-K296 HydrophobicContact CG-CG 4.33Å; I257-K296 HydrophobicContact CD1-CG 4.35Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 2.79Å; I293-K296 PolarHBondContact O-N 3.37Å; H294-K296 VanDerWaalsContact C-N 3.27Å; H294-K296 PolarHBondContact O-N 3.47Å; K296-L299 PolarHBondContact O-N 3.44Å; K296-L300 HydrophobicContact CD-CD1 4.38Å; K296-L300 HydrophobicContact CG-CD1 4.2Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 2.97Å; K296-L300 VanDerWaalsContact O-N 3.1Å
297K96.2Very high96Very high25 Ų2569.3 Ų69.311%0.10935%0.345CS..Hα-helixtrans-60.2-43.9173.5-70.9170.3-168.4167.90111.7L256 T263 D266 I293 H294 L300 N301 A302L256-K297 HydrophobicContact CD1-CB 4.31Å; L256-K297 HydrophobicContact CD1-CG 3.73Å; L256-K297 HydrophobicContact CD2-CG 4.22Å; T263-K297 WeakPolarHBondContact OG1-CE 3.41Å; D266-K297 IonicContact OD2-NZ 3.76Å; I293-K297 VanDerWaalsContact O-CG 3.31Å; I293-K297 WeakPolarHBondContact O-CG 3.38Å; I293-K297 PolarHBondContact O-N 3.09Å; H294-K297 PolarHBondContact CE1-NZ 3.43Å; H294-K297 VanDerWaalsContact CE1-NZ 3.3Å; H294-K297 PolarHBondContact ND1-NZ 3.31Å; H294-K297 VanDerWaalsContact ND1-NZ 3.19Å; H294-K297 WeakPolarHBondContact O-CB 3.48Å; H294-K297 PolarHBondContact O-N 3.42Å; H294-K297 VanDerWaalsContact O-N 3.08Å; K297-L300 PolarHBondContact O-N 3.37Å; K297-N301 PolarHBondContact O-N 2.79Å; K297-A302 HydrophobicContact CB-CB 4.16Å; K297-A302 HydrophobicContact CG-CB 4.33Å; K297-A302 PolarHBondContact O-N 2.83Å
298E96.8Very high95.8Very high150 Ų15073.1 Ų73.170%0.70136%0.362SS*.Hα-helixtrans-62-47.7177.9-70.3176.5-15800111.2H294 A295 L300 N301H294-E298 PolarHBondContact O-N 3.36Å; A295-E298 PolarHBondContact O-N 3.06Å; E298-L300 VanDerWaalsContact C-N 3.27Å; E298-L300 PolarHBondContact O-N 3.14Å; E298-N301 PolarHBondContact O-N 3.35Å; E298-N301 VanDerWaalsContact O-N 3.1Å
299L96.9Very high95.6Very high139 Ų13970.1 Ų70.173%0.72835%0.351SS*.Hα-helixtrans-60.5-34.7177.8-71.4172.6000113.4A295 K296A295-L299 WeakPolarHBondContact O-CG 3.44Å; A295-L299 PolarHBondContact O-N 3.29Å; A295-L299 VanDerWaalsContact O-N 3.09Å; K296-L299 PolarHBondContact O-N 3.44Å
300L95.7Very high95.4Very high44 Ų4474.5 Ų74.523%0.2337%0.374CS..THydrogen-bonded Turntrans-88.5-2.6179.2-66.2178.9000113.7L256 I257 K296 K297 E298 A302L256-L300 HydrophobicContact CD1-CD1 3.88Å; L256-L300 HydrophobicContact CG-CD1 3.97Å; L256-L300 WeakPolarHBondContact O-CD1 3.47Å; I257-L300 HydrophobicContact CD1-CD1 4.09Å; K296-L300 HydrophobicContact CD-CD1 4.38Å; K296-L300 HydrophobicContact CG-CD1 4.2Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 2.97Å; K296-L300 VanDerWaalsContact O-N 3.1Å; K297-L300 PolarHBondContact O-N 3.37Å; E298-L300 VanDerWaalsContact C-N 3.27Å; E298-L300 PolarHBondContact O-N 3.14Å; L300-A302 PolarHBondContact O-N 2.88Å
301N92.8Very high95.1Very high128 Ų12880.2 Ų80.268%0.68440%0.402SS*.THydrogen-bonded Turntrans49.542.2-170.5-61.8-71.3000112.5K297 E298 K303K297-N301 PolarHBondContact O-N 2.79Å; E298-N301 PolarHBondContact O-N 3.35Å; E298-N301 VanDerWaalsContact O-N 3.1Å; N301-K303 PolarHBondContact O-N 3.37Å
302A88.7Confident94.8Very high18 Ų1878 Ų7815%0.14939%0.394CS..  trans-64.2134.7-174.300000111.6L256 H260 K297 L300L256-A302 HydrophobicContact CD1-CB 3.78Å; H260-A302 CarbonylContact O-C 3.56Å; H260-A302 WeakPolarHBondContact O-CA 3.18Å; K297-A302 HydrophobicContact CB-CB 4.16Å; K297-A302 HydrophobicContact CG-CB 4.33Å; K297-A302 PolarHBondContact O-N 2.83Å; L300-A302 PolarHBondContact O-N 2.88Å
303K79.9Confident94.5Very high198 Ų19880.1 Ų80.186%0.86140%0.404SS*.  trans-109.50-174.3-67.8-176.2-179.4178.80113.7H260 R261 K262 N301H260-K303 PolarHBondContact O-N 3.25Å; R261-K303 CarbonylContact C-O 3.59Å; R261-K303 WeakPolarHBondContact CA-O 3.5Å; K262-K303 WeakPolarHBondContact CD-OXT 3.22Å; K262-K303 WeakPolarHBondContact CE-OXT 3.49Å; K262-K303 WeakPolarHBondContact CG-OXT 3.29Å; K262-K303 PolarHBondContact N-O 3.19Å; K262-K303 PolarHBondContact NZ-OXT 3.41Å; N301-K303 PolarHBondContact O-N 3.37Å

Retrieved 303 of 303 residues in 578.2 ms (Link to these results)

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