A0A096NME1_PAPAN Loading...

Integrator complex subunit 14

AlphaFold DB (A0A2K6D941), UniProt , Accession A0A096NME1, Species PAPAN (Papio anubis, Olive baboon), Gene INTS14, Length 518 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
1M82.6Confident95.6Very high31 Ų3113.7 Ų13.715%0.1537%0.072CC..  0130.80-164.1162.462.900105.6Y46 E49 P108 Q110 P229M1-Y46 HydrophobicContact CE-CE1 4.25Å; M1-E49 VanDerWaalsContact C-CD 3.49Å; M1-P108 VanDerWaalsContact CA-O 3.28Å; M1-P108 WeakPolarHBondContact CA-O 3.26Å; M1-P108 WeakPolarHBondContact CG-O 3.43Å; M1-Q110 HydrophobicContact CG-CG 4.3Å; M1-Q110 HydrophobicContact SD-CG 4.11Å; M1-Q110 PolarHBondContact SD-NE2 3.42Å; M1-P229 HydrophobicContact CB-CB 3.65Å; M1-P229 HydrophobicContact CB-CG 4.15Å; M1-P229 HydrophobicContact CE-CB 4.29Å
2P94.4Very high95.5Very high2 Ų214.1 Ų14.11%0.0138%0.076CC..EExtended strand (participates in β ladder)trans-113.1162.6168.133-22.3000110.5E49 F50 F66 W103 I107 P108 C109 Q110P2-E49 WeakPolarHBondContact CA-OE1 3.39Å; P2-F50 CarbonylContact C-O 3.56Å; P2-F50 VanDerWaalsContact CA-O 3.22Å; P2-F50 WeakPolarHBondContact CA-O 3.41Å; P2-F50 HydrophobicContact CB-CB 4.15Å; P2-F50 WeakPolarHBondContact CB-O 3.46Å; P2-F66 HydrophobicContact CB-CD1 4.04Å; P2-F66 HydrophobicContact CB-CE1 3.69Å; P2-F66 HydrophobicContact CB-CZ 4.46Å; P2-F66 HydrophobicContact CG-CE1 4.38Å; P2-W103 HydrophobicContact CB-CZ2 4.36Å; P2-W103 HydrophobicContact CG-CD2 4.12Å; P2-W103 HydrophobicContact CG-CG 3.9Å; P2-I107 HydrophobicContact CG-CG2 4.44Å; P2-P108 WeakPolarHBondContact CD-O 3.46Å; P2-C109 HydrophobicContact CG-CB 4.07Å; P2-C109 CarbonylContact O-C 3.47Å; P2-C109 VanDerWaalsContact O-CA 3.28Å; P2-C109 WeakPolarHBondContact O-CA 3.39Å; P2-C109 PolarHBondContact O-SG 3.22Å; P2-Q110 PolarHBondContact O-N 3.23Å
3T97.9Very high95.5Very high0 Ų013.1 Ų13.10%07%0.071CC..EExtended strand (participates in β ladder)trans-117.7137.1178.3-67.30000110.5V5 E49 F50 T51 A52 F66 Q110 V112 Y209T3-V5 HydrophobicContact CG2-CG2 4.31Å; T3-E49 PolarHBondContact N-OE1 3.3Å; T3-E49 PolarHBondContact OG1-OE1 3.45Å; T3-E49 VanDerWaalsContact OG1-OE1 3.14Å; T3-F50 PolarHBondContact N-O 3.21Å; T3-T51 HydrophobicContact CG2-CG2 4.19Å; T3-T51 CarbonylContact O-C 3.51Å; T3-T51 VanDerWaalsContact O-CA 3.27Å; T3-T51 WeakPolarHBondContact O-CA 3.38Å; T3-A52 PolarHBondContact O-N 3.07Å; T3-F66 WeakPolarHBondContact O-CE1 3.43Å; T3-Q110 CarbonylContact C-O 3.45Å; T3-Q110 VanDerWaalsContact CA-O 3.29Å; T3-Q110 WeakPolarHBondContact CA-O 3.24Å; T3-V112 HydrophobicContact CG2-CG2 4.12Å; T3-Y209 WeakPolarHBondContact CG2-OH 3.09Å; T3-Y209 WeakPolarHBondContact OG1-CE1 3.42Å; T3-Y209 PolarHBondContact OG1-OH 2.96Å
4V98.6Very high95.4Very high0 Ų014.6 Ų14.60%08%0.081CC..EExtended strand (participates in β ladder)trans-115.5113.6168.5-177.70000108.7V6 V54 F66 V95 I98 V99 Q110 V111 V112V4-V6 HydrophobicContact CG1-CG2 4.05Å; V4-V54 HydrophobicContact CG1-CG2 4Å; V4-F66 HydrophobicContact CG2-CE1 3.75Å; V4-F66 HydrophobicContact CG2-CZ 3.46Å; V4-F66 VanDerWaalsContact CG2-CZ 3.46Å; V4-V95 HydrophobicContact CB-CG1 4.3Å; V4-V95 HydrophobicContact CG1-CG1 4.16Å; V4-V95 HydrophobicContact CG1-CG2 4.01Å; V4-V95 HydrophobicContact CG2-CG1 4.41Å; V4-I98 HydrophobicContact CG1-CD1 3.97Å; V4-I98 HydrophobicContact CG2-CD1 4.23Å; V4-V99 HydrophobicContact CG2-CG2 3.73Å; V4-Q110 PolarHBondContact N-O 3.03Å; V4-V111 WeakPolarHBondContact O-CA 3.47Å; V4-V112 PolarHBondContact O-N 3.36Å
5V98.7Very high95.2Very high0 Ų019 Ų190%010%0.096CC..EExtended strand (participates in β ladder)trans-83.8127.8169.81780000108.5T3 L35 F39 T51 A52 L53 V54 V112T3-V5 HydrophobicContact CG2-CG2 4.31Å; V5-L35 HydrophobicContact CG1-CD1 3.82Å; V5-L35 HydrophobicContact CG1-CD2 3.52Å; V5-L35 HydrophobicContact CG1-CG 4.34Å; V5-L35 HydrophobicContact CG2-CD2 4.15Å; V5-F39 HydrophobicContact CG2-CE1 3.86Å; V5-F39 HydrophobicContact CG2-CZ 4.01Å; V5-T51 HydrophobicContact CG2-CG2 4.1Å; V5-A52 PolarHBondContact N-O 3.28Å; V5-L53 HydrophobicContact CB-CD1 3.9Å; V5-L53 HydrophobicContact CG1-CD1 3.62Å; V5-V54 PolarHBondContact O-N 3.06Å; V5-V112 WeakPolarHBondContact CA-O 3.34Å; V5-V112 HydrophobicContact CG2-CB 4.45Å
6V98.3Very high95Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-117.1101.5177.2-173.70000107.7V4 V54 F56 A91 V95 V111 V112 L113 V114V4-V6 HydrophobicContact CG1-CG2 4.05Å; V6-V54 CarbonylContact C-O 3.58Å; V6-V54 WeakPolarHBondContact CA-O 3.07Å; V6-F56 HydrophobicContact CG1-CD1 3.53Å; V6-F56 HydrophobicContact CG1-CE1 3.79Å; V6-F56 HydrophobicContact CG1-CG 4.46Å; V6-A91 HydrophobicContact CG1-CB 4.36Å; V6-V95 HydrophobicContact CG2-CG2 3.54Å; V6-V111 HydrophobicContact CG2-CG1 3.92Å; V6-V112 PolarHBondContact N-O 2.82Å; V6-L113 HydrophobicContact CB-CD1 4.06Å; V6-L113 HydrophobicContact CG1-CD1 3.9Å; V6-L113 WeakPolarHBondContact O-CA 3.32Å; V6-V114 PolarHBondContact O-N 3.4Å
7M97.8Very high94.5Very high2 Ų221.9 Ų21.91%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-101.9127-175.2-177.2158.4172.200111.8V9 A31 L35 L53 V54 V55 F56 L77 M80M7-V9 HydrophobicContact CG-CG1 4.49Å; M7-A31 HydrophobicContact CE-CB 3.83Å; M7-L35 HydrophobicContact CB-CD1 4.45Å; M7-L35 HydrophobicContact CG-CD1 4.39Å; M7-L35 HydrophobicContact SD-CD1 3.45Å; M7-L35 WeakPolarHBondContact SD-CD1 3.29Å; M7-L53 HydrophobicContact CB-CD1 4.3Å; M7-V54 PolarHBondContact N-O 2.9Å; M7-V55 WeakPolarHBondContact O-CA 3.19Å; M7-F56 VanDerWaalsContact O-CD1 3.3Å; M7-F56 WeakPolarHBondContact O-CD1 3.15Å; M7-F56 PolarHBondContact O-N 3.44Å; M7-L77 HydrophobicContact SD-CD2 4.15Å; M7-M80 HydrophobicContact CE-CE 3.85Å; M7-M80 HydrophobicContact CE-SD 3.39Å; M7-M80 WeakPolarHBondContact CE-SD 3.41Å; M7-M80 HydrophobicContact CG-CE 4.23Å; M7-M80 HydrophobicContact CG-SD 4.14Å; M7-M80 HydrophobicContact SD-CE 3.18Å; M7-M80 WeakPolarHBondContact SD-CE 3.34Å; M7-M80 HydrophobicContact SD-SD 3.46Å
8D97.1Very high93.7Very high0 Ų022.3 Ų22.30%012%0.123CC..EExtended strand (participates in β ladder)trans-73.8125.1173-165-27000110.3S10 M13 F56 T86 V114 T115D8-S10 WeakPolarHBondContact OD1-CB 3.31Å; D8-S10 PolarHBondContact OD1-N 3.14Å; D8-S10 PolarHBondContact OD1-OG 3.12Å; D8-M13 HydrophobicContact CB-CE 4.32Å; D8-M13 HydrophobicContact CB-CG 3.92Å; D8-M13 HydrophobicContact CB-SD 4.12Å; D8-F56 VanDerWaalsContact CA-CE1 3.45Å; D8-F56 HydrophobicContact CB-CE1 3.68Å; D8-F56 HydrophobicContact CB-CE2 4.48Å; D8-F56 HydrophobicContact CB-CZ 3.64Å; D8-T86 WeakPolarHBondContact OD2-CG2 3.43Å; D8-V114 VanDerWaalsContact CB-O 3.28Å; D8-V114 WeakPolarHBondContact CB-O 3.29Å; D8-V114 PolarHBondContact N-O 3.19Å; D8-T115 WeakPolarHBondContact OD2-CB 3.39Å; D8-T115 PolarHBondContact OD2-OG1 3.17Å
9V96.4Very high92.3Very high9 Ų929.9 Ų29.96%0.05516%0.161CC..  trans-121.319.9177.6-64.70000111.8M7 V55 F56 M80 Y83M7-V9 HydrophobicContact CG-CG1 4.49Å; V9-V55 HydrophobicContact CG1-CB 4.08Å; V9-V55 HydrophobicContact CG1-CG1 4.13Å; V9-V55 HydrophobicContact CG2-CB 4.08Å; V9-F56 WeakPolarHBondContact CG2-O 3.38Å; V9-F56 PolarHBondContact N-O 2.75Å; V9-M80 HydrophobicContact CG1-SD 3.73Å; V9-Y83 HydrophobicContact CB-CD2 4.05Å; V9-Y83 HydrophobicContact CG2-CD2 3.53Å; V9-Y83 HydrophobicContact CG2-CE2 4.13Å; V9-Y83 HydrophobicContact CG2-CG 4.43Å; V9-Y83 PolarHBondContact O-N 2.97Å
10S95.1Very high91Very high1 Ų137.5 Ų37.51%0.00720%0.195CC..SBendtrans-72.2167178.168.80000113.1D8 S12 M13 T86D8-S10 WeakPolarHBondContact OD1-CB 3.31Å; D8-S10 PolarHBondContact OD1-N 3.14Å; D8-S10 PolarHBondContact OD1-OG 3.12Å; S10-S12 PolarHBondContact O-N 2.96Å; S10-S12 VanDerWaalsContact O-N 3.1Å; S10-S12 PolarHBondContact OG-OG 3.24Å; S10-M13 WeakPolarHBondContact O-CB 3.37Å; S10-M13 PolarHBondContact O-N 2.67Å; S10-T86 WeakPolarHBondContact OG-CG2 3.46Å
11L94.4Very high89.4Confident106 Ų10638.8 Ų38.856%0.55522%0.218SC*.G310 helixtrans-60-26.7-176.2-168.961.8000113.4M13 T14 Y83 D84L11-M13 PolarHBondContact O-N 3.49Å; L11-T14 HydrophobicContact CD1-CG2 4.48Å; L11-T14 PolarHBondContact O-N 3.11Å; L11-T14 PolarHBondContact O-OG1 3.47Å; L11-Y83 WeakPolarHBondContact CA-O 3.38Å; L11-Y83 WeakPolarHBondContact CB-O 3.35Å; L11-Y83 PolarHBondContact N-O 3.38Å; L11-D84 VanDerWaalsContact CB-O 3.29Å; L11-D84 WeakPolarHBondContact CB-O 3.35Å; L11-D84 PolarHBondContact N-O 3.09Å; L11-D84 VanDerWaalsContact N-O 3.14Å
12S94.3Very high88.2Confident18 Ų1841.5 Ų41.513%0.12624%0.24CC..G310 helixtrans-67.7-26178.361.80000112.5S10 T14 R15 D116 C118S10-S12 PolarHBondContact O-N 2.96Å; S10-S12 VanDerWaalsContact O-N 3.1Å; S10-S12 PolarHBondContact OG-OG 3.24Å; S12-T14 PolarHBondContact O-N 2.92Å; S12-R15 VanDerWaalsContact O-CB 3.3Å; S12-R15 WeakPolarHBondContact O-CB 3.32Å; S12-R15 WeakPolarHBondContact O-CG 3.33Å; S12-R15 PolarHBondContact O-N 2.94Å; S12-R15 PolarHBondContact O-NE 3.16Å; S12-D116 WeakPolarHBondContact CB-OD2 3.46Å; S12-D116 VanDerWaalsContact O-OD2 3.07Å; S12-D116 PolarHBondContact OG-OD1 3.36Å; S12-D116 PolarHBondContact OG-OD2 3.48Å; S12-C118 WeakPolarHBondContact OG-CB 3.28Å
13M95.4Very high86.7Confident1 Ų144.2 Ų44.21%0.00525%0.253CS..G310 helixtrans-71.7-13.7177.3-64.2-69.1-72.500113D8 S10 L11 R15 R27 K28 A31 D116 M157D8-M13 HydrophobicContact CB-CE 4.32Å; D8-M13 HydrophobicContact CB-CG 3.92Å; D8-M13 HydrophobicContact CB-SD 4.12Å; S10-M13 WeakPolarHBondContact O-CB 3.37Å; S10-M13 PolarHBondContact O-N 2.67Å; L11-M13 PolarHBondContact O-N 3.49Å; M13-R15 VanDerWaalsContact C-N 3.3Å; M13-R27 WeakPolarHBondContact O-CB 3.43Å; M13-R27 PolarHBondContact O-N 3.47Å; M13-R27 HydrophobicContact SD-CB 4.37Å; M13-K28 HydrophobicContact CB-CB 4.19Å; M13-K28 PolarHBondContact O-N 2.69Å; M13-A31 HydrophobicContact CE-CB 4.04Å; M13-D116 HydrophobicContact SD-CB 3.58Å; M13-D116 VanDerWaalsContact SD-CB 3.58Å; M13-D116 PolarHBondContact SD-N 3.28Å; M13-M157 HydrophobicContact CE-CB 4.3Å; M13-M157 HydrophobicContact CE-CG 4.01Å
14T93.9Very high85.9Confident34 Ų3453.8 Ų53.821%0.20930%0.297CS..G310 helixtrans-86.1-0.9174.679.90000112.8L11 S12 Q26 D82L11-T14 HydrophobicContact CD1-CG2 4.48Å; L11-T14 PolarHBondContact O-N 3.11Å; L11-T14 PolarHBondContact O-OG1 3.47Å; S12-T14 PolarHBondContact O-N 2.92Å; T14-Q26 VanDerWaalsContact O-CD 3.23Å; T14-Q26 VanDerWaalsContact O-CG 3.32Å; T14-Q26 WeakPolarHBondContact O-CG 3.38Å; T14-Q26 PolarHBondContact O-NE2 2.93Å; T14-D82 HydrophobicContact CG2-CB 3.97Å; T14-D82 WeakPolarHBondContact CG2-OD1 3.25Å
15R92.7Very high85.4Confident81 Ų8157.8 Ų57.831%0.30631%0.313SS..SBendtrans-62.8146.7175.9-70.6-178.5-64.2153.61.1110.8S12 M13 Q26 R27 D116 E162S12-R15 VanDerWaalsContact O-CB 3.3Å; S12-R15 WeakPolarHBondContact O-CB 3.32Å; S12-R15 WeakPolarHBondContact O-CG 3.33Å; S12-R15 PolarHBondContact O-N 2.94Å; S12-R15 PolarHBondContact O-NE 3.16Å; M13-R15 VanDerWaalsContact C-N 3.3Å; R15-Q26 VanDerWaalsContact O-CA 3.26Å; R15-Q26 WeakPolarHBondContact O-CA 3.16Å; R15-Q26 WeakPolarHBondContact O-CB 3.17Å; R15-R27 HydrophobicContact CB-CG 4.35Å; R15-R27 PolarHBondContact O-N 2.66Å; R15-D116 IonicContact CZ-OD2 3.31Å; R15-D116 IonicContact NE-OD2 2.91Å; R15-D116 IonicContact NH2-OD2 2.67Å; R15-D116 PolarHBondContact NH2-OD2 3.08Å; R15-E162 IonicContact CZ-OE1 3.55Å; R15-E162 IonicContact NH1-OE1 2.69Å; R15-E162 PolarHBondContact NH1-OE1 3.35Å; R15-E162 IonicContact NH2-OE1 2.76Å; R15-E162 PolarHBondContact NH2-OE1 2.85Å
16P91.8Very high85.1Confident75 Ų7560.6 Ų60.649%0.48733%0.326SS..BIsolated β-bridgetrans-63.2148.917527.7-34.2000110.9R27P16-R27 PolarHBondContact O-NE 2.67Å
17V87.6Confident85Confident13 Ų1361.6 Ų61.68%0.07933%0.33CS..SBendtrans-70.7-45.9175.61670000111.1Y25 L30 L192V17-Y25 WeakPolarHBondContact CB-O 3.37Å; V17-Y25 VanDerWaalsContact CG2-O 3.23Å; V17-Y25 WeakPolarHBondContact CG2-O 3.31Å; V17-Y25 PolarHBondContact N-O 2.74Å; V17-L30 HydrophobicContact CB-CD1 4.24Å; V17-L30 HydrophobicContact CG1-CD1 3.73Å; V17-L30 HydrophobicContact CG2-CD1 3.43Å; V17-L30 VanDerWaalsContact CG2-CD1 3.43Å; V17-L30 HydrophobicContact CG2-CG 3.72Å; V17-L192 HydrophobicContact CG1-CB 4.15Å; V17-L192 HydrophobicContact CG1-CD2 4.19Å; V17-L192 HydrophobicContact CG1-CG 3.98Å; V17-L192 WeakPolarHBondContact CG1-O 3.31Å; V17-L192 HydrophobicContact CG2-CD2 4.4Å
18S78.8Confident84.9Confident29 Ų2963.1 Ų63.120%0.20334%0.336CS..  trans-125.1129175.8176.70000110.1E20 S22S18-E20 PolarHBondContact O-N 2.94Å; S18-E20 PolarHBondContact OG-N 3.11Å; S18-S22 PolarHBondContact OG-OG 3.33Å
19I68.8Low84.7Confident166 Ų16666.5 Ų66.585%0.85135%0.352SS*.THydrogen-bonded Turntrans-73.2-21.1174.9-54.6170.4000110.2G21I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 3.17Å
20E65.6Low84.7Confident181 Ų18166.1 Ų66.185%0.84635%0.35SS*.THydrogen-bonded Turntrans-87.56.2-175.4-62.3173.8168.600113.1S18S18-E20 PolarHBondContact O-N 2.94Å; S18-E20 PolarHBondContact OG-N 3.11Å
21G57.6Low84.8Confident66 Ų6666 Ų6668%0.6835%0.349SS*.SBendtrans77.619.217000000115.5I19I19-G21 VanDerWaalsContact C-N 3.3Å; I19-G21 PolarHBondContact O-N 3.17Å
22S57.6Low84.9Confident87 Ų8761.9 Ų61.961%0.60833%0.33SS*.SBendtrans-75.3-26.5-175.9-25.60000113.6S18S18-S22 PolarHBondContact OG-OG 3.33Å
23E63.1Low85Confident60 Ų6064.5 Ų64.528%0.2834%0.34SS..  trans-143.6136.5179.7-66.7-173.7169.800109.9Y25 C193E23-Y25 HydrophobicContact CB-CD2 3.99Å; E23-Y25 HydrophobicContact CG-CD2 4.49Å; E23-Y25 PolarHBondContact O-N 3.05Å; E23-C193 WeakPolarHBondContact OE1-CB 3.39Å
24E81Confident85Confident201 Ų20164.4 Ų64.494%0.93934%0.34SS*.  trans-76.46.2177.9-66.7-170.1163.500113.5
25Y87.6Confident85.3Confident83 Ų8362.8 Ų62.833%0.32533%0.33SS..  trans-79.4142.5-177-61.9-59.3000112.8V17 E23 H29 L30 H33V17-Y25 WeakPolarHBondContact CB-O 3.37Å; V17-Y25 VanDerWaalsContact CG2-O 3.23Å; V17-Y25 WeakPolarHBondContact CG2-O 3.31Å; V17-Y25 PolarHBondContact N-O 2.74Å; E23-Y25 HydrophobicContact CB-CD2 3.99Å; E23-Y25 HydrophobicContact CG-CD2 4.49Å; E23-Y25 PolarHBondContact O-N 3.05Å; Y25-H29 HydrophobicContact CD1-CB 3.79Å; Y25-H29 HydrophobicContact CG-CB 4.38Å; Y25-L30 HydrophobicContact CD2-CD2 4.01Å; Y25-L30 HydrophobicContact CG-CD2 4.13Å; Y25-H33 AromaticContact CE1-NE2 3.74Å
26Q93.3Very high85.5Confident60 Ų6060.2 Ų60.228%0.2832%0.323SS..BIsolated β-bridgetrans-91.8163.7160.5-53.5172.1-15.800110.4T14 R15 K28 H29 L30T14-Q26 VanDerWaalsContact O-CD 3.23Å; T14-Q26 VanDerWaalsContact O-CG 3.32Å; T14-Q26 WeakPolarHBondContact O-CG 3.38Å; T14-Q26 PolarHBondContact O-NE2 2.93Å; R15-Q26 VanDerWaalsContact O-CA 3.26Å; R15-Q26 WeakPolarHBondContact O-CA 3.16Å; R15-Q26 WeakPolarHBondContact O-CB 3.17Å; Q26-K28 VanDerWaalsContact C-N 3.25Å; Q26-K28 HydrophobicContact CB-CG 4.35Å; Q26-K28 PolarHBondContact O-N 2.94Å; Q26-K28 VanDerWaalsContact OE1-CE 3.3Å; Q26-H29 VanDerWaalsContact CB-ND1 3.29Å; Q26-H29 WeakPolarHBondContact CB-ND1 3.48Å; Q26-H29 PolarHBondContact N-ND1 2.98Å; Q26-H29 WeakPolarHBondContact O-CB 3.36Å; Q26-H29 PolarHBondContact O-N 3.1Å; Q26-H29 PolarHBondContact OE1-CE1 2.82Å; Q26-L30 PolarHBondContact O-N 3.18Å
27R95.1Very high85.7Confident20 Ų2059.5 Ų59.58%0.07531%0.314CS..Hα-helixtrans-53.4-41.3-179.7-51.1-59.7-180102.5-7.6112.4M13 R15 P16 H29 L30 A31 M157 A158 E162 L192M13-R27 WeakPolarHBondContact O-CB 3.43Å; M13-R27 PolarHBondContact O-N 3.47Å; M13-R27 HydrophobicContact SD-CB 4.37Å; R15-R27 HydrophobicContact CB-CG 4.35Å; R15-R27 PolarHBondContact O-N 2.66Å; P16-R27 PolarHBondContact O-NE 2.67Å; R27-H29 VanDerWaalsContact C-N 3.29Å; R27-H29 PolarHBondContact O-N 2.82Å; R27-L30 PolarHBondContact O-N 3.15Å; R27-A31 PolarHBondContact O-N 3.19Å; R27-M157 HydrophobicContact CB-CB 4.27Å; R27-M157 VanDerWaalsContact CD-O 3.32Å; R27-M157 WeakPolarHBondContact CD-O 3.46Å; R27-M157 PolarHBondContact NH1-O 3.07Å; R27-A158 VanDerWaalsContact NH1-CA 3.33Å; R27-E162 IonicContact CZ-OE2 3.7Å; R27-E162 VanDerWaalsContact CZ-OE2 3.27Å; R27-E162 IonicContact NH1-OE1 2.78Å; R27-E162 IonicContact NH1-OE2 3.97Å; R27-E162 PolarHBondContact NH1-OE2 3.18Å; R27-E162 IonicContact NH2-OE1 3.46Å; R27-E162 IonicContact NH2-OE2 2.75Å; R27-E162 PolarHBondContact NH2-OE2 3.4Å; R27-L192 VanDerWaalsContact CZ-CD2 3.5Å
28K94.9Very high86.2Confident34 Ų3458.9 Ų58.915%0.14831%0.31CS..Hα-helixtrans-59.2-34.7176.574.1175.7-172.71680113.9M13 Q26 A31 A32 D82M13-K28 HydrophobicContact CB-CB 4.19Å; M13-K28 PolarHBondContact O-N 2.69Å; Q26-K28 VanDerWaalsContact C-N 3.25Å; Q26-K28 HydrophobicContact CB-CG 4.35Å; Q26-K28 PolarHBondContact O-N 2.94Å; Q26-K28 VanDerWaalsContact OE1-CE 3.3Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 3.25Å; K28-A32 WeakPolarHBondContact O-CB 3.21Å; K28-A32 PolarHBondContact O-N 3.43Å; K28-D82 VanDerWaalsContact CD-OD1 3.25Å; K28-D82 WeakPolarHBondContact CD-OD1 3.44Å; K28-D82 WeakPolarHBondContact CE-OD1 3.47Å; K28-D82 IonicContact NZ-OD1 3.36Å; K28-D82 PolarHBondContact NZ-OD1 3.32Å; K28-D82 IonicContact NZ-OD2 3.17Å; K28-D82 PolarHBondContact NZ-OD2 3.44Å
29H94.6Very high87.1Confident72 Ų7257.5 Ų57.533%0.33330%0.301SS..Hα-helixtrans-70.1-42.9179.8-58.9103.1000110.6Y25 Q26 R27 A31 A32 H33Y25-H29 HydrophobicContact CD1-CB 3.79Å; Y25-H29 HydrophobicContact CG-CB 4.38Å; Q26-H29 VanDerWaalsContact CB-ND1 3.29Å; Q26-H29 WeakPolarHBondContact CB-ND1 3.48Å; Q26-H29 PolarHBondContact N-ND1 2.98Å; Q26-H29 WeakPolarHBondContact O-CB 3.36Å; Q26-H29 PolarHBondContact O-N 3.1Å; Q26-H29 PolarHBondContact OE1-CE1 2.82Å; R27-H29 VanDerWaalsContact C-N 3.29Å; R27-H29 PolarHBondContact O-N 2.82Å; H29-A31 VanDerWaalsContact C-N 3.28Å; H29-A31 PolarHBondContact O-N 3.22Å; H29-A32 PolarHBondContact O-N 2.83Å; H29-H33 PolarHBondContact O-CD2 2.69Å; H29-H33 PolarHBondContact O-N 2.63Å
30L95.1Very high88.5Confident0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-64.1-36.4173.6-65.6-169.1000111.9V17 Y25 Q26 R27 H33 G34 M157 L192 L194 V197V17-L30 HydrophobicContact CB-CD1 4.24Å; V17-L30 HydrophobicContact CG1-CD1 3.73Å; V17-L30 HydrophobicContact CG2-CD1 3.43Å; V17-L30 VanDerWaalsContact CG2-CD1 3.43Å; V17-L30 HydrophobicContact CG2-CG 3.72Å; Y25-L30 HydrophobicContact CD2-CD2 4.01Å; Y25-L30 HydrophobicContact CG-CD2 4.13Å; Q26-L30 PolarHBondContact O-N 3.18Å; R27-L30 PolarHBondContact O-N 3.15Å; L30-H33 PolarHBondContact O-N 3.3Å; L30-G34 PolarHBondContact O-N 3Å; L30-M157 HydrophobicContact CB-CE 3.39Å; L30-L192 HydrophobicContact CD1-CD1 4.28Å; L30-L192 HydrophobicContact CD1-CD2 4.38Å; L30-L192 HydrophobicContact CD1-CG 3.89Å; L30-L194 HydrophobicContact CD2-CB 4.01Å; L30-L194 HydrophobicContact CD2-CD1 4.22Å; L30-V197 HydrophobicContact CB-CG2 4.18Å; L30-V197 HydrophobicContact CD1-CG2 3.99Å
31A97Very high89.9Confident0 Ų047.3 Ų47.30%025%0.249CC..Hα-helixtrans-63.1-46.8177.600000110.6M7 M13 R27 K28 H29 H33 G34 L35 V114 M157M7-A31 HydrophobicContact CE-CB 3.83Å; M13-A31 HydrophobicContact CE-CB 4.04Å; R27-A31 PolarHBondContact O-N 3.19Å; K28-A31 WeakPolarHBondContact O-CB 3.33Å; K28-A31 PolarHBondContact O-N 3.25Å; H29-A31 VanDerWaalsContact C-N 3.28Å; H29-A31 PolarHBondContact O-N 3.22Å; A31-H33 PolarHBondContact O-N 3.47Å; A31-G34 PolarHBondContact O-N 2.89Å; A31-L35 PolarHBondContact O-N 3.26Å; A31-V114 HydrophobicContact CB-CG1 3.7Å; A31-M157 VanDerWaalsContact CA-CE 3.46Å; A31-M157 HydrophobicContact CB-CE 3.89Å; A31-M157 HydrophobicContact CB-CG 3.97Å; A31-M157 HydrophobicContact CB-SD 4.03Å
32A96.9Very high91.7Very high18 Ų1844.1 Ų44.115%0.14922%0.217CC..Hα-helixtrans-59.3-45.1173.500000111.5K28 H29 G34 L35 T36 L77K28-A32 WeakPolarHBondContact O-CB 3.21Å; K28-A32 PolarHBondContact O-N 3.43Å; H29-A32 PolarHBondContact O-N 2.83Å; A32-G34 PolarHBondContact O-N 2.88Å; A32-L35 PolarHBondContact O-N 3.03Å; A32-T36 WeakPolarHBondContact O-CB 3.19Å; A32-T36 PolarHBondContact O-N 2.94Å; A32-T36 PolarHBondContact O-OG1 3.38Å; A32-L77 HydrophobicContact CB-CB 4.29Å
33H95.9Very high93.4Very high73 Ų7341.7 Ų41.734%0.33820%0.202SC..Hα-helixtrans-61-40.7176-79.3-62.9000113.4Y25 H29 L30 A31 T36 M37 L194Y25-H33 AromaticContact CE1-NE2 3.74Å; H29-H33 PolarHBondContact O-CD2 2.69Å; H29-H33 PolarHBondContact O-N 2.63Å; L30-H33 PolarHBondContact O-N 3.3Å; A31-H33 PolarHBondContact O-N 3.47Å; H33-T36 PolarHBondContact O-N 3.04Å; H33-M37 PolarHBondContact O-N 3Å; H33-M37 VanDerWaalsContact O-N 3.1Å; H33-L194 HydrophobicContact CB-CD1 3.58Å
34G97.2Very high94.7Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-64.8-44.4175.800000112.7L30 A31 A32 M37 L38 F201L30-G34 PolarHBondContact O-N 3Å; A31-G34 PolarHBondContact O-N 2.89Å; A32-G34 PolarHBondContact O-N 2.88Å; G34-M37 WeakPolarHBondContact O-CB 3.08Å; G34-M37 PolarHBondContact O-N 3.34Å; G34-L38 PolarHBondContact O-N 2.63Å; G34-L38 VanDerWaalsContact O-N 3.09Å; G34-F201 VanDerWaalsContact CA-CD2 3.48Å; G34-F201 WeakPolarHBondContact O-CD1 3.39Å; G34-F201 WeakPolarHBondContact O-CG 3.45Å
35L98.1Very high95.1Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-67.3-36.3175.9-73.8172.5000112.8V5 M7 A31 A32 M37 L38 F39 L77 V114 F201V5-L35 HydrophobicContact CG1-CD1 3.82Å; V5-L35 HydrophobicContact CG1-CD2 3.52Å; V5-L35 HydrophobicContact CG1-CG 4.34Å; V5-L35 HydrophobicContact CG2-CD2 4.15Å; M7-L35 HydrophobicContact CB-CD1 4.45Å; M7-L35 HydrophobicContact CG-CD1 4.39Å; M7-L35 HydrophobicContact SD-CD1 3.45Å; M7-L35 WeakPolarHBondContact SD-CD1 3.29Å; A31-L35 PolarHBondContact O-N 3.26Å; A32-L35 PolarHBondContact O-N 3.03Å; L35-M37 VanDerWaalsContact C-N 3.34Å; L35-M37 PolarHBondContact O-N 3.01Å; L35-L38 HydrophobicContact CD2-CD2 4.3Å; L35-L38 WeakPolarHBondContact O-CB 3.14Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-F39 HydrophobicContact CB-CE2 4.29Å; L35-F39 HydrophobicContact CB-CZ 4.49Å; L35-F39 HydrophobicContact CD2-CZ 4.47Å; L35-F39 WeakPolarHBondContact O-CB 3.35Å; L35-F39 WeakPolarHBondContact O-CD2 3.3Å; L35-F39 VanDerWaalsContact O-CG 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.3Å; L35-F39 PolarHBondContact O-N 3.48Å; L35-L77 HydrophobicContact CB-CD1 3.65Å; L35-L77 HydrophobicContact CB-CD2 4.19Å; L35-L77 HydrophobicContact CD1-CD2 3.86Å; L35-V114 HydrophobicContact CD1-CG2 4.21Å; L35-V114 HydrophobicContact CD2-CG2 3.97Å; L35-V114 HydrophobicContact CG-CG2 4.19Å; L35-F201 HydrophobicContact CD2-CE1 3.95Å; L35-F201 HydrophobicContact CD2-CZ 4.42Å; L35-F201 HydrophobicContact CG-CE1 4.27Å; L35-F201 HydrophobicContact CG-CZ 4.36Å
36T97.6Very high95.3Very high27 Ų2729.8 Ų29.817%0.16615%0.154CC..Hα-helixtrans-58.1-47.5171.8-67.60000110.8A32 H33 L38 F39 E40 Q74A32-T36 WeakPolarHBondContact O-CB 3.19Å; A32-T36 PolarHBondContact O-N 2.94Å; A32-T36 PolarHBondContact O-OG1 3.38Å; H33-T36 PolarHBondContact O-N 3.04Å; T36-L38 VanDerWaalsContact C-N 3.29Å; T36-L38 PolarHBondContact O-N 2.87Å; T36-F39 PolarHBondContact O-N 3.21Å; T36-E40 HydrophobicContact CG2-CG 4.26Å; T36-E40 VanDerWaalsContact CG2-OE1 3.26Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.41Å; T36-E40 WeakPolarHBondContact O-CB 3.46Å; T36-E40 VanDerWaalsContact O-CG 3.3Å; T36-E40 WeakPolarHBondContact O-CG 3.33Å; T36-E40 PolarHBondContact O-N 3.41Å; T36-Q74 HydrophobicContact CG2-CG 4.34Å; T36-Q74 VanDerWaalsContact CG2-NE2 3.34Å
37M97.4Very high95.2Very high59 Ų5931.9 Ų31.929%0.29116%0.163SC..Hα-helixtrans-58.6-41175.5178.9-175.8176.800112.1H33 G34 L35 H41 Q198 F201 I205H33-M37 PolarHBondContact O-N 3Å; H33-M37 VanDerWaalsContact O-N 3.1Å; G34-M37 WeakPolarHBondContact O-CB 3.08Å; G34-M37 PolarHBondContact O-N 3.34Å; L35-M37 VanDerWaalsContact C-N 3.34Å; L35-M37 PolarHBondContact O-N 3.01Å; M37-H41 PolarHBondContact O-N 3.03Å; M37-H41 VanDerWaalsContact O-N 3.1Å; M37-Q198 HydrophobicContact SD-CB 3.96Å; M37-Q198 HydrophobicContact SD-CG 4.18Å; M37-Q198 VanDerWaalsContact SD-O 3.41Å; M37-F201 HydrophobicContact SD-CB 4.26Å; M37-I205 HydrophobicContact CE-CD1 4.2Å; M37-I205 HydrophobicContact CG-CD1 4.3Å
38L97.9Very high95Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-63.7-48175.517761.9000111.6G34 L35 T36 H41 M42 F201 L204 I205 Y209G34-L38 PolarHBondContact O-N 2.63Å; G34-L38 VanDerWaalsContact O-N 3.09Å; L35-L38 HydrophobicContact CD2-CD2 4.3Å; L35-L38 WeakPolarHBondContact O-CB 3.14Å; L35-L38 PolarHBondContact O-N 3.21Å; T36-L38 VanDerWaalsContact C-N 3.29Å; T36-L38 PolarHBondContact O-N 2.87Å; L38-H41 PolarHBondContact O-N 3.24Å; L38-M42 HydrophobicContact CD1-CG 4.22Å; L38-M42 HydrophobicContact CD1-SD 4.02Å; L38-M42 HydrophobicContact CG-SD 3.92Å; L38-M42 VanDerWaalsContact O-CG 3.25Å; L38-M42 WeakPolarHBondContact O-CG 3.08Å; L38-M42 PolarHBondContact O-N 2.77Å; L38-F201 HydrophobicContact CB-CD1 4.18Å; L38-L204 HydrophobicContact CD2-CD2 4.29Å; L38-I205 HydrophobicContact CD1-CG1 3.85Å; L38-Y209 HydrophobicContact CD1-CD2 3.66Å; L38-Y209 HydrophobicContact CD1-CE2 3.77Å; L38-Y209 HydrophobicContact CD1-CG 4.3Å
39F97.7Very high95Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-66.8-38.5-178.9-64.2-22.5000112.6V5 L35 T36 M42 A43 T51 Y70 L73 L77V5-F39 HydrophobicContact CG2-CE1 3.86Å; V5-F39 HydrophobicContact CG2-CZ 4.01Å; L35-F39 HydrophobicContact CB-CE2 4.29Å; L35-F39 HydrophobicContact CB-CZ 4.49Å; L35-F39 HydrophobicContact CD2-CZ 4.47Å; L35-F39 WeakPolarHBondContact O-CB 3.35Å; L35-F39 WeakPolarHBondContact O-CD2 3.3Å; L35-F39 VanDerWaalsContact O-CG 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.3Å; L35-F39 PolarHBondContact O-N 3.48Å; T36-F39 PolarHBondContact O-N 3.21Å; F39-M42 HydrophobicContact CD1-SD 4.41Å; F39-M42 PolarHBondContact O-N 2.79Å; F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.18Å; F39-A43 PolarHBondContact O-N 3.23Å; F39-T51 HydrophobicContact CE1-CG2 3.95Å; F39-Y70 HydrophobicContact CB-CD1 4.02Å; F39-Y70 HydrophobicContact CD1-CD1 4.07Å; F39-Y70 HydrophobicContact CD1-CE1 4.32Å; F39-Y70 HydrophobicContact CG-CD1 4.26Å; F39-L73 HydrophobicContact CD2-CB 3.9Å; F39-L73 HydrophobicContact CE2-CB 3.76Å; F39-L73 HydrophobicContact CG-CB 4.39Å; F39-L73 HydrophobicContact CZ-CB 4.15Å; F39-L73 HydrophobicContact CZ-CD2 4.49Å; F39-L77 HydrophobicContact CD2-CD1 3.88Å; F39-L77 HydrophobicContact CD2-CG 4.49Å; F39-L77 HydrophobicContact CE2-CD1 3.74Å; F39-L77 HydrophobicContact CE2-CD2 4.04Å; F39-L77 HydrophobicContact CE2-CG 4.01Å
40E96.4Very high95.1Very high98 Ų9830.6 Ų30.646%0.45816%0.158SC..Hα-helixtrans-60.8-45.1172.7-74.4172.217900111.1T36 M42 A43 T44 Q74T36-E40 HydrophobicContact CG2-CG 4.26Å; T36-E40 VanDerWaalsContact CG2-OE1 3.26Å; T36-E40 WeakPolarHBondContact CG2-OE1 3.41Å; T36-E40 WeakPolarHBondContact O-CB 3.46Å; T36-E40 VanDerWaalsContact O-CG 3.3Å; T36-E40 WeakPolarHBondContact O-CG 3.33Å; T36-E40 PolarHBondContact O-N 3.41Å; E40-M42 PolarHBondContact O-N 3.31Å; E40-A43 PolarHBondContact O-N 3.45Å; E40-T44 PolarHBondContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.86Å; E40-Q74 PolarHBondContact OE1-NE2 2.91Å
41H95.6Very high95.2Very high35 Ų3530.6 Ų30.616%0.16216%0.158CC..Hα-helixtrans-60.9-45.7174.4176.481.5000111.9M37 L38 A43 T44 N45 I205 Y209M37-H41 PolarHBondContact O-N 3.03Å; M37-H41 VanDerWaalsContact O-N 3.1Å; L38-H41 PolarHBondContact O-N 3.24Å; H41-A43 PolarHBondContact O-N 3.08Å; H41-T44 PolarHBondContact O-N 3.08Å; H41-N45 PolarHBondContact CE1-ND2 3.18Å; H41-N45 PolarHBondContact ND1-ND2 3.33Å; H41-N45 WeakPolarHBondContact O-CB 3.33Å; H41-N45 PolarHBondContact O-N 3.02Å; H41-I205 HydrophobicContact CB-CD1 3.86Å; H41-I205 HydrophobicContact CB-CG1 4.38Å; H41-I205 VanDerWaalsContact CE1-CG2 3.42Å; H41-I205 WeakPolarHBondContact CE1-CG2 3.39Å; H41-I205 WeakPolarHBondContact NE2-CG2 3.37Å; H41-Y209 PolarHBondContact NE2-O 3.32Å
42M94.8Very high95.3Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-66.6-37.6179.9-66174.29300112.1L38 F39 E40 T44 Y46 K47 E49 T51 Y70 Y209L38-M42 HydrophobicContact CD1-CG 4.22Å; L38-M42 HydrophobicContact CD1-SD 4.02Å; L38-M42 HydrophobicContact CG-SD 3.92Å; L38-M42 VanDerWaalsContact O-CG 3.25Å; L38-M42 WeakPolarHBondContact O-CG 3.08Å; L38-M42 PolarHBondContact O-N 2.77Å; F39-M42 HydrophobicContact CD1-SD 4.41Å; F39-M42 PolarHBondContact O-N 2.79Å; E40-M42 PolarHBondContact O-N 3.31Å; M42-T44 PolarHBondContact O-N 3.23Å; M42-Y46 CarbonylContact O-C 3.49Å; M42-Y46 WeakPolarHBondContact O-CA 3.47Å; M42-Y46 PolarHBondContact O-N 3.4Å; M42-K47 WeakPolarHBondContact O-CA 3.29Å; M42-K47 PolarHBondContact O-N 3.48Å; M42-E49 HydrophobicContact CE-CB 3.94Å; M42-E49 HydrophobicContact CE-CG 3.44Å; M42-E49 VanDerWaalsContact CE-CG 3.44Å; M42-T51 VanDerWaalsContact CE-OG1 3.25Å; M42-T51 WeakPolarHBondContact CE-OG1 3.37Å; M42-Y70 HydrophobicContact CB-CD1 3.98Å; M42-Y70 HydrophobicContact CB-CE1 3.41Å; M42-Y70 VanDerWaalsContact CB-CE1 3.41Å; M42-Y70 HydrophobicContact CB-CE2 4.06Å; M42-Y70 VanDerWaalsContact CB-CZ 3.48Å; M42-Y70 HydrophobicContact CE-CE1 4.11Å; M42-Y70 WeakPolarHBondContact CE-OH 3.26Å; M42-Y70 HydrophobicContact CG-CE1 4.16Å; M42-Y70 HydrophobicContact SD-CE1 3.69Å; M42-Y209 HydrophobicContact CE-CD1 4.01Å; M42-Y209 HydrophobicContact CE-CE1 3.72Å
43A93.5Very high95.4Very high35 Ų3529.7 Ų29.729%0.28915%0.151SC..Hα-helixtrans-63.1-27.2176.400000112.9F39 E40 H41 K47 Y70F39-A43 VanDerWaalsContact O-CB 3.25Å; F39-A43 WeakPolarHBondContact O-CB 3.18Å; F39-A43 PolarHBondContact O-N 3.23Å; E40-A43 PolarHBondContact O-N 3.45Å; H41-A43 PolarHBondContact O-N 3.08Å; A43-K47 WeakPolarHBondContact O-CE 3.23Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; A43-Y70 HydrophobicContact CB-CD2 4.13Å; A43-Y70 HydrophobicContact CB-CG 4.08Å
44T90Very high95.5Very high61 Ų6126.2 Ų26.237%0.37414%0.135SC..Hα-helixtrans-98.1-49-179.4-52.90000111.8E40 H41 M42 K47E40-T44 PolarHBondContact O-N 3.08Å; E40-T44 PolarHBondContact O-OG1 2.86Å; H41-T44 PolarHBondContact O-N 3.08Å; M42-T44 PolarHBondContact O-N 3.23Å; T44-K47 WeakPolarHBondContact O-CE 3.27Å
45N90Very high95.5Very high32 Ų3226.9 Ų26.917%0.17114%0.139CC..Hα-helixtrans-107.6-18.4-164.8-55.3-37.1000113.3H41 Q226H41-N45 PolarHBondContact CE1-ND2 3.18Å; H41-N45 PolarHBondContact ND1-ND2 3.33Å; H41-N45 WeakPolarHBondContact O-CB 3.33Å; H41-N45 PolarHBondContact O-N 3.02Å; N45-Q226 PolarHBondContact O-NE2 3.45Å
46Y92.2Very high95.4Very high2 Ų227 Ų271%0.00814%0.14CC..  trans-132.535.9-173.7-133.1-119.1000112.9M1 M42 L48 E49 Y209 F228 R230M1-Y46 HydrophobicContact CE-CE1 4.25Å; M42-Y46 CarbonylContact O-C 3.49Å; M42-Y46 WeakPolarHBondContact O-CA 3.47Å; M42-Y46 PolarHBondContact O-N 3.4Å; Y46-L48 PolarHBondContact O-N 3.18Å; Y46-E49 HydrophobicContact CD1-CB 3.53Å; Y46-E49 HydrophobicContact CD1-CG 3.93Å; Y46-E49 HydrophobicContact CE1-CB 4.06Å; Y46-E49 HydrophobicContact CE1-CG 4.18Å; Y46-E49 WeakPolarHBondContact CE1-OE2 3.3Å; Y46-E49 HydrophobicContact CG-CB 4.49Å; Y46-E49 WeakPolarHBondContact O-CB 3.49Å; Y46-E49 PolarHBondContact O-N 3.37Å; Y46-Y209 HydrophobicContact CD1-CD1 4.01Å; Y46-Y209 HydrophobicContact CE1-CD1 4.21Å; Y46-F228 AromaticContact CD1-CE2 3.7Å; Y46-F228 HydrophobicContact CD1-CE2 3.7Å; Y46-F228 HydrophobicContact CD1-CZ 4.37Å; Y46-F228 HydrophobicContact CD2-CD2 4.31Å; Y46-F228 HydrophobicContact CD2-CE2 4Å; Y46-F228 HydrophobicContact CE1-CD2 4.36Å; Y46-F228 AromaticContact CE1-CE2 3.44Å; Y46-F228 HydrophobicContact CE1-CE2 3.44Å; Y46-F228 VanDerWaalsContact CE1-CE2 3.44Å; Y46-F228 HydrophobicContact CE1-CZ 4.06Å; Y46-F228 AromaticContact CE2-CD2 3.96Å; Y46-F228 HydrophobicContact CE2-CD2 3.96Å; Y46-F228 AromaticContact CE2-CE2 3.8Å; Y46-F228 HydrophobicContact CE2-CE2 3.8Å; Y46-F228 AromaticContact CG-CE2 3.94Å; Y46-F228 HydrophobicContact CG-CE2 3.94Å; Y46-F228 AromaticContact CZ-CD2 3.96Å; Y46-F228 AromaticContact CZ-CE2 3.5Å; Y46-F228 VanDerWaalsContact CZ-CE2 3.5Å; Y46-R230 PolarHBondContact OH-N 2.79Å
47K91.4Very high95.3Very high104 Ų10426 Ų2645%0.45213%0.133SC..THydrogen-bonded Turntrans-49.9-24.7-169.3-71.9176.7178.3170.70116.4M42 A43 T44M42-K47 WeakPolarHBondContact O-CA 3.29Å; M42-K47 PolarHBondContact O-N 3.48Å; A43-K47 WeakPolarHBondContact O-CE 3.23Å; A43-K47 WeakPolarHBondContact O-CG 3.4Å; T44-K47 WeakPolarHBondContact O-CE 3.27Å
48L91.6Very high95Very high40 Ų4025 Ų2521%0.20913%0.132CC..THydrogen-bonded Turntrans-93.6-9.2-174.1-65.4-177.6000114.2Y46 R68 F228 L272 L274Y46-L48 PolarHBondContact O-N 3.18Å; L48-R68 PolarHBondContact O-NE 3.49Å; L48-R68 PolarHBondContact O-NH2 3.44Å; L48-F228 VanDerWaalsContact C-CZ 3.45Å; L48-F228 HydrophobicContact CB-CD1 3.66Å; L48-F228 HydrophobicContact CB-CD2 4.34Å; L48-F228 HydrophobicContact CB-CE1 3.44Å; L48-F228 VanDerWaalsContact CB-CE1 3.44Å; L48-F228 HydrophobicContact CB-CE2 4.12Å; L48-F228 HydrophobicContact CB-CG 4.14Å; L48-F228 HydrophobicContact CB-CZ 3.72Å; L48-F228 HydrophobicContact CD1-CD1 4.07Å; L48-F228 HydrophobicContact CD1-CG 4.28Å; L48-L272 HydrophobicContact CD1-CD1 3.72Å; L48-L274 HydrophobicContact CD1-CD1 3.46Å; L48-L274 VanDerWaalsContact CD1-CD1 3.46Å
49E94.3Very high94.8Very high0 Ų031.5 Ų31.50%017%0.166CC..  trans-69132.3176.8-171.773.5-170.800109.6M1 P2 T3 M42 Y46 Y70 F228M1-E49 VanDerWaalsContact C-CD 3.49Å; P2-E49 WeakPolarHBondContact CA-OE1 3.39Å; T3-E49 PolarHBondContact N-OE1 3.3Å; T3-E49 PolarHBondContact OG1-OE1 3.45Å; T3-E49 VanDerWaalsContact OG1-OE1 3.14Å; M42-E49 HydrophobicContact CE-CB 3.94Å; M42-E49 HydrophobicContact CE-CG 3.44Å; M42-E49 VanDerWaalsContact CE-CG 3.44Å; Y46-E49 HydrophobicContact CD1-CB 3.53Å; Y46-E49 HydrophobicContact CD1-CG 3.93Å; Y46-E49 HydrophobicContact CE1-CB 4.06Å; Y46-E49 HydrophobicContact CE1-CG 4.18Å; Y46-E49 WeakPolarHBondContact CE1-OE2 3.3Å; Y46-E49 HydrophobicContact CG-CB 4.49Å; Y46-E49 WeakPolarHBondContact O-CB 3.49Å; Y46-E49 PolarHBondContact O-N 3.37Å; E49-Y70 PolarHBondContact O-OH 2.74Å; E49-F228 HydrophobicContact CB-CE2 4.35Å; E49-F228 HydrophobicContact CB-CZ 3.91Å; E49-F228 VanDerWaalsContact N-CZ 3.25Å; E49-F228 WeakPolarHBondContact OE2-CZ 3.38Å
50F96.3Very high94.7Very high58 Ų5835.4 Ų35.425%0.25418%0.181SC..EExtended strand (participates in β ladder)trans-88.8126.1172.9-79.7-86000109P2 T3 F66 T67 R68 W103P2-F50 CarbonylContact C-O 3.56Å; P2-F50 VanDerWaalsContact CA-O 3.22Å; P2-F50 WeakPolarHBondContact CA-O 3.41Å; P2-F50 HydrophobicContact CB-CB 4.15Å; P2-F50 WeakPolarHBondContact CB-O 3.46Å; T3-F50 PolarHBondContact N-O 3.21Å; F50-F66 HydrophobicContact CB-CB 4.27Å; F50-F66 HydrophobicContact CB-CD1 4.1Å; F50-F66 HydrophobicContact CD1-CB 4.36Å; F50-T67 WeakPolarHBondContact CA-O 3.3Å; F50-R68 HydrophobicContact CD1-CG 3.99Å; F50-R68 HydrophobicContact CD2-CG 4.5Å; F50-R68 HydrophobicContact CE1-CG 3.98Å; F50-R68 HydrophobicContact CG-CG 4.26Å; F50-R68 HydrophobicContact CZ-CG 4.26Å; F50-W103 HydrophobicContact CB-CH2 4.19Å; F50-W103 HydrophobicContact CB-CZ2 3.65Å; F50-W103 HydrophobicContact CD1-CH2 4.26Å; F50-W103 HydrophobicContact CD1-CZ2 4.16Å; F50-W103 AromaticContact CD2-CH2 3.34Å; F50-W103 HydrophobicContact CD2-CH2 3.34Å; F50-W103 AromaticContact CD2-CZ2 3.74Å; F50-W103 HydrophobicContact CD2-CZ2 3.74Å; F50-W103 HydrophobicContact CD2-CZ3 4.37Å; F50-W103 HydrophobicContact CE1-CH2 4.49Å; F50-W103 AromaticContact CE2-CH2 3.6Å; F50-W103 HydrophobicContact CE2-CH2 3.6Å; F50-W103 HydrophobicContact CE2-CZ2 4.37Å; F50-W103 HydrophobicContact CE2-CZ3 4.49Å; F50-W103 AromaticContact CG-CH2 3.69Å; F50-W103 HydrophobicContact CG-CH2 3.69Å; F50-W103 AromaticContact CG-CZ2 3.6Å; F50-W103 HydrophobicContact CG-CZ2 3.6Å; F50-W103 HydrophobicContact CZ-CH2 4.18Å
51T98.3Very high94.7Very high0 Ų036.4 Ų36.40%019%0.186CC..EExtended strand (participates in β ladder)trans-121.6135-179.5-57.60000110.3T3 V5 F39 M42 F66 T67 Y70 L73T3-T51 HydrophobicContact CG2-CG2 4.19Å; T3-T51 CarbonylContact O-C 3.51Å; T3-T51 VanDerWaalsContact O-CA 3.27Å; T3-T51 WeakPolarHBondContact O-CA 3.38Å; V5-T51 HydrophobicContact CG2-CG2 4.1Å; F39-T51 HydrophobicContact CE1-CG2 3.95Å; M42-T51 VanDerWaalsContact CE-OG1 3.25Å; M42-T51 WeakPolarHBondContact CE-OG1 3.37Å; T51-F66 WeakPolarHBondContact O-CA 3.46Å; T51-T67 PolarHBondContact N-O 2.61Å; T51-T67 PolarHBondContact O-N 2.58Å; T51-Y70 PolarHBondContact OG1-OH 3.37Å; T51-L73 HydrophobicContact CG2-CD1 3.89Å
52A98.5Very high94.8Very high0 Ų037.7 Ų37.70%019%0.193CC..EExtended strand (participates in β ladder)trans-114.8150.9171.100000110.1T3 V5 L62 V64 F66T3-A52 PolarHBondContact O-N 3.07Å; V5-A52 PolarHBondContact N-O 3.28Å; A52-L62 HydrophobicContact CB-CD1 4.25Å; A52-V64 WeakPolarHBondContact CA-O 3.32Å; A52-F66 HydrophobicContact CB-CD1 3.72Å; A52-F66 HydrophobicContact CB-CD2 4.22Å; A52-F66 HydrophobicContact CB-CE1 3.82Å; A52-F66 HydrophobicContact CB-CE2 4.34Å; A52-F66 HydrophobicContact CB-CG 3.93Å; A52-F66 HydrophobicContact CB-CZ 4.15Å
53L98.5Very high94.9Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-116.9115.9175.8-179.962.3000109.8V5 M7 M63 V64 L73 A76 L77 M80V5-L53 HydrophobicContact CB-CD1 3.9Å; V5-L53 HydrophobicContact CG1-CD1 3.62Å; M7-L53 HydrophobicContact CB-CD1 4.3Å; L53-M63 HydrophobicContact CD2-SD 4.05Å; L53-M63 HydrophobicContact CG-CB 4.41Å; L53-M63 PolarHBondContact O-N 3.28Å; L53-V64 HydrophobicContact CB-CB 3.99Å; L53-V64 HydrophobicContact CB-CG2 4.17Å; L53-V64 HydrophobicContact CD2-CG2 4.36Å; L53-V64 PolarHBondContact N-O 3.24Å; L53-V64 PolarHBondContact O-N 3.44Å; L53-V64 VanDerWaalsContact O-N 3.09Å; L53-L73 HydrophobicContact CB-CD2 3.79Å; L53-A76 HydrophobicContact CD2-CB 3.8Å; L53-L77 HydrophobicContact CD2-CD2 4.16Å; L53-M80 HydrophobicContact CD2-CE 4.16Å
54V98.3Very high95.1Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-106.8130.5171.2176.10000108V4 V5 V6 M7 W60 E61 L62 I98V4-V54 HydrophobicContact CG1-CG2 4Å; V5-V54 PolarHBondContact O-N 3.06Å; V6-V54 CarbonylContact C-O 3.58Å; V6-V54 WeakPolarHBondContact CA-O 3.07Å; M7-V54 PolarHBondContact N-O 2.9Å; V54-W60 HydrophobicContact CG1-CB 4.43Å; V54-W60 HydrophobicContact CG1-CE3 4.04Å; V54-E61 WeakPolarHBondContact CA-O 3.47Å; V54-L62 HydrophobicContact CG2-CD1 3.86Å; V54-I98 HydrophobicContact CG2-CD1 3.66Å
55V97.3Very high95.5Very high13 Ų1340.8 Ų40.88%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-106.9145.7170.9-63.70000109.3M7 V9 W60 E61 M63 M80M7-V55 WeakPolarHBondContact O-CA 3.19Å; V9-V55 HydrophobicContact CG1-CB 4.08Å; V9-V55 HydrophobicContact CG1-CG1 4.13Å; V9-V55 HydrophobicContact CG2-CB 4.08Å; V55-W60 VanDerWaalsContact O-CA 3.3Å; V55-W60 WeakPolarHBondContact O-CA 3.41Å; V55-E61 HydrophobicContact CG2-CB 4.11Å; V55-E61 PolarHBondContact N-O 3.13Å; V55-E61 PolarHBondContact O-N 3.29Å; V55-M63 HydrophobicContact CG1-CB 4.31Å; V55-M63 HydrophobicContact CG1-SD 3.83Å; V55-M63 HydrophobicContact CG2-CB 4.34Å; V55-M80 HydrophobicContact CG1-CE 4.37Å; V55-M80 HydrophobicContact CG1-SD 4.39Å
56F96.2Very high95.8Very high4 Ų440.7 Ų40.72%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-142.3145.8178.379.5-77.9000114.2V6 M7 D8 V9 L59 W60 T86 L88 A91 L113V6-F56 HydrophobicContact CG1-CD1 3.53Å; V6-F56 HydrophobicContact CG1-CE1 3.79Å; V6-F56 HydrophobicContact CG1-CG 4.46Å; M7-F56 VanDerWaalsContact O-CD1 3.3Å; M7-F56 WeakPolarHBondContact O-CD1 3.15Å; M7-F56 PolarHBondContact O-N 3.44Å; D8-F56 VanDerWaalsContact CA-CE1 3.45Å; D8-F56 HydrophobicContact CB-CE1 3.68Å; D8-F56 HydrophobicContact CB-CE2 4.48Å; D8-F56 HydrophobicContact CB-CZ 3.64Å; V9-F56 WeakPolarHBondContact CG2-O 3.38Å; V9-F56 PolarHBondContact N-O 2.75Å; F56-L59 WeakPolarHBondContact CA-O 3.43Å; F56-W60 HydrophobicContact CB-CB 4Å; F56-T86 HydrophobicContact CE2-CG2 4.32Å; F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.09Å; F56-L88 HydrophobicContact CE2-CD1 4.05Å; F56-L88 HydrophobicContact CZ-CD1 3.88Å; F56-A91 HydrophobicContact CB-CB 3.59Å; F56-A91 HydrophobicContact CD1-CB 4.4Å; F56-A91 HydrophobicContact CD2-CB 4.28Å; F56-A91 HydrophobicContact CG-CB 3.84Å; F56-L113 HydrophobicContact CE1-CD1 3.73Å; F56-L113 HydrophobicContact CZ-CD1 4Å
57S94.4Very high96.1Very high4 Ų442.1 Ų42.13%0.02821%0.213CC..SBendtrans-145.2-118166.2-178.40000106.8L59 Y83 D84 K85 T86 C87S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 CarbonylContact C-O 3.43Å; S57-L59 PolarHBondContact N-O 3.17Å; S57-Y83 VanDerWaalsContact OG-CB 3.31Å; S57-Y83 WeakPolarHBondContact OG-CB 3.47Å; S57-D84 PolarHBondContact OG-N 2.93Å; S57-D84 VanDerWaalsContact OG-N 3.11Å; S57-D84 PolarHBondContact OG-OD1 2.94Å; S57-D84 VanDerWaalsContact OG-OD1 3.12Å; S57-K85 CarbonylContact C-O 2.71Å; S57-K85 WeakPolarHBondContact CA-O 3.27Å; S57-K85 WeakPolarHBondContact CB-O 3.42Å; S57-K85 PolarHBondContact OG-N 3.17Å; S57-K85 PolarHBondContact OG-O 3.37Å; S57-T86 CarbonylContact O-C 3.5Å; S57-C87 WeakPolarHBondContact O-CB 3.37Å; S57-C87 PolarHBondContact O-N 3.1Å
58S91.8Very high96.3Very high38 Ų3841.7 Ų41.727%0.26621%0.209SC..SBendtrans-71.8-27.7176.749.40000112.3D84 K85S58-D84 WeakPolarHBondContact CB-OD1 3.43Å; S58-D84 PolarHBondContact N-OD1 3.41Å; S58-D84 PolarHBondContact OG-OD1 2.84Å; S58-D84 PolarHBondContact OG-OD2 3.34Å; S58-K85 PolarHBondContact N-O 3.5Å
59L93.1Very high96.5Very high137 Ų13743.2 Ų43.272%0.71722%0.217SC*.SBendtrans-118.4170.2168-59.3176.5000108.6F56 S57F56-L59 WeakPolarHBondContact CA-O 3.43Å; S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 CarbonylContact C-O 3.43Å; S57-L59 PolarHBondContact N-O 3.17Å
60W95.8Very high96.6Very high83 Ų8343.6 Ų43.631%0.31422%0.219SC..EExtended strand (participates in β ladder)trans-122.7151.2171.467.7-84.1000109.3V54 V55 F56 L62 S90 A91 G94V54-W60 HydrophobicContact CG1-CB 4.43Å; V54-W60 HydrophobicContact CG1-CE3 4.04Å; V55-W60 VanDerWaalsContact O-CA 3.3Å; V55-W60 WeakPolarHBondContact O-CA 3.41Å; F56-W60 HydrophobicContact CB-CB 4Å; W60-L62 HydrophobicContact CZ3-CB 4.43Å; W60-S90 VanDerWaalsContact CD1-O 3.24Å; W60-S90 PolarHBondContact NE1-O 3.42Å; W60-A91 HydrophobicContact CB-CB 3.88Å; W60-A91 HydrophobicContact CG-CB 4.41Å; W60-G94 VanDerWaalsContact CH2-CA 3.46Å
61E96.8Very high96.6Very high119 Ų11945.9 Ų45.956%0.55623%0.233SC*.EExtended strand (participates in β ladder)trans-137.4138.4177.6-178171.6-171.200109.9V54 V55 M63V54-E61 WeakPolarHBondContact CA-O 3.47Å; V55-E61 HydrophobicContact CG2-CB 4.11Å; V55-E61 PolarHBondContact N-O 3.13Å; V55-E61 PolarHBondContact O-N 3.29Å; E61-M63 PolarHBondContact O-N 3.01Å
62L97.5Very high96.4Very high62 Ų6248.2 Ų48.233%0.32525%0.248SC..EExtended strand (participates in β ladder)trans-8092167.8179.865000108.3A52 V54 W60 V64 P65 I98A52-L62 HydrophobicContact CB-CD1 4.25Å; V54-L62 HydrophobicContact CG2-CD1 3.86Å; W60-L62 HydrophobicContact CZ3-CB 4.43Å; L62-V64 WeakPolarHBondContact CD1-O 3.28Å; L62-P65 HydrophobicContact CD2-CB 4.16Å; L62-I98 HydrophobicContact CD1-CD1 3.97Å; L62-I98 HydrophobicContact CD2-CG2 4.16Å
63M96.7Very high96.4Very high67 Ų6748.2 Ų48.233%0.3325%0.248SC..EExtended strand (participates in β ladder)trans-69.5-40.6-177.3-166177.3-172.500111.6L53 V55 E61 A76L53-M63 HydrophobicContact CD2-SD 4.05Å; L53-M63 HydrophobicContact CG-CB 4.41Å; L53-M63 PolarHBondContact O-N 3.28Å; V55-M63 HydrophobicContact CG1-CB 4.31Å; V55-M63 HydrophobicContact CG1-SD 3.83Å; V55-M63 HydrophobicContact CG2-CB 4.34Å; E61-M63 PolarHBondContact O-N 3.01Å; M63-A76 HydrophobicContact CE-CB 4Å; M63-A76 VanDerWaalsContact CE-O 3.27Å; M63-A76 WeakPolarHBondContact CE-O 3.33Å; M63-A76 HydrophobicContact CG-CB 4.44Å; M63-A76 HydrophobicContact SD-CB 4.03Å
64V97.9Very high96.2Very high15 Ų1551 Ų519%0.09126%0.261CS..EExtended strand (participates in β ladder)trans-134.3119.7175.8-171.70000109.1A52 L53 L62 T67 L73 A76A52-V64 WeakPolarHBondContact CA-O 3.32Å; L53-V64 HydrophobicContact CB-CB 3.99Å; L53-V64 HydrophobicContact CB-CG2 4.17Å; L53-V64 HydrophobicContact CD2-CG2 4.36Å; L53-V64 PolarHBondContact N-O 3.24Å; L53-V64 PolarHBondContact O-N 3.44Å; L53-V64 VanDerWaalsContact O-N 3.09Å; L62-V64 WeakPolarHBondContact CD1-O 3.28Å; V64-T67 HydrophobicContact CG1-CG2 3.86Å; V64-L73 HydrophobicContact CB-CD2 3.77Å; V64-L73 HydrophobicContact CG1-CD2 3.72Å; V64-L73 HydrophobicContact CG1-CG 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.19Å; V64-A76 HydrophobicContact CG2-CB 3.67Å
65P97.9Very high96.1Very high79 Ų7957 Ų5751%0.51329%0.289SS..EExtended strand (participates in β ladder)trans-67.4169.9173.930.7-35.5000111.2L62 T67L62-P65 HydrophobicContact CD2-CB 4.16Å; P65-T67 PolarHBondContact O-N 2.94Å
66F97.9Very high96Very high30 Ų3057 Ų5713%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-53.3118.8-179.7-75.6-73.7000112P2 T3 V4 F50 T51 A52 I98 V99 E102 W103P2-F66 HydrophobicContact CB-CD1 4.04Å; P2-F66 HydrophobicContact CB-CE1 3.69Å; P2-F66 HydrophobicContact CB-CZ 4.46Å; P2-F66 HydrophobicContact CG-CE1 4.38Å; T3-F66 WeakPolarHBondContact O-CE1 3.43Å; V4-F66 HydrophobicContact CG2-CE1 3.75Å; V4-F66 HydrophobicContact CG2-CZ 3.46Å; V4-F66 VanDerWaalsContact CG2-CZ 3.46Å; F50-F66 HydrophobicContact CB-CB 4.27Å; F50-F66 HydrophobicContact CB-CD1 4.1Å; F50-F66 HydrophobicContact CD1-CB 4.36Å; T51-F66 WeakPolarHBondContact O-CA 3.46Å; A52-F66 HydrophobicContact CB-CD1 3.72Å; A52-F66 HydrophobicContact CB-CD2 4.22Å; A52-F66 HydrophobicContact CB-CE1 3.82Å; A52-F66 HydrophobicContact CB-CE2 4.34Å; A52-F66 HydrophobicContact CB-CG 3.93Å; A52-F66 HydrophobicContact CB-CZ 4.15Å; F66-I98 HydrophobicContact CE2-CG1 4.4Å; F66-V99 HydrophobicContact CZ-CG2 4.07Å; F66-E102 HydrophobicContact CD2-CB 4.05Å; F66-E102 HydrophobicContact CD2-CG 3.9Å; F66-E102 HydrophobicContact CE2-CB 4.24Å; F66-E102 HydrophobicContact CE2-CG 4.32Å; F66-W103 HydrophobicContact CB-CZ2 4.28Å; F66-W103 AromaticContact CD1-NE1 3.69Å; F66-W103 AromaticContact CD2-NE1 3.47Å; F66-W103 AromaticContact CE1-NE1 3.69Å; F66-W103 AromaticContact CE2-CD1 3.83Å; F66-W103 AromaticContact CE2-NE1 3.44Å; F66-W103 HydrophobicContact CG-CZ2 4.29Å; F66-W103 AromaticContact CG-NE1 3.58Å; F66-W103 AromaticContact CZ-CD1 3.91Å; F66-W103 AromaticContact CZ-NE1 3.55Å
67T97.1Very high95.9Very high32 Ų3257.3 Ų57.320%0.19629%0.292CS..EExtended strand (participates in β ladder)trans-141.9161.5-178.6-172.10000111.1F50 T51 V64 P65 D69 L73F50-T67 WeakPolarHBondContact CA-O 3.3Å; T51-T67 PolarHBondContact N-O 2.61Å; T51-T67 PolarHBondContact O-N 2.58Å; V64-T67 HydrophobicContact CG1-CG2 3.86Å; P65-T67 PolarHBondContact O-N 2.94Å; T67-D69 WeakPolarHBondContact OG1-CB 3.28Å; T67-D69 PolarHBondContact OG1-N 3.08Å; T67-L73 HydrophobicContact CG2-CD1 3.92Å; T67-L73 HydrophobicContact CG2-CD2 4.45Å; T67-L73 HydrophobicContact CG2-CG 3.95Å
68R95.8Very high95.6Very high95 Ų9561.8 Ų61.836%0.35832%0.323SS..SBendtrans-103.1-1.5166.3-67.7175172.9159.5-4.2111.9L48 F50 Y70L48-R68 PolarHBondContact O-NE 3.49Å; L48-R68 PolarHBondContact O-NH2 3.44Å; F50-R68 HydrophobicContact CD1-CG 3.99Å; F50-R68 HydrophobicContact CD2-CG 4.5Å; F50-R68 HydrophobicContact CE1-CG 3.98Å; F50-R68 HydrophobicContact CG-CG 4.26Å; F50-R68 HydrophobicContact CZ-CG 4.26Å; R68-Y70 WeakPolarHBondContact O-CD2 3.37Å; R68-Y70 PolarHBondContact O-N 3.32Å; R68-Y70 VanDerWaalsContact O-N 3.16Å
69D96.6Very high95.1Very high72 Ų7265.9 Ų65.939%0.38534%0.342SS..  trans-83.785.8178.3-168.3-17.8000109.8T67 N71 T72 L73T67-D69 WeakPolarHBondContact OG1-CB 3.28Å; T67-D69 PolarHBondContact OG1-N 3.08Å; D69-N71 PolarHBondContact O-N 3.25Å; D69-N71 WeakPolarHBondContact OD1-CB 2.94Å; D69-N71 PolarHBondContact OD1-N 3.45Å; D69-T72 HydrophobicContact CB-CG2 4.17Å; D69-T72 PolarHBondContact O-N 2.67Å; D69-T72 PolarHBondContact O-OG1 3.27Å; D69-T72 PolarHBondContact OD1-N 2.76Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.35Å; D69-L73 PolarHBondContact O-N 2.96Å
70Y96.4Very high94.9Very high7 Ų760.6 Ų60.63%0.02731%0.314CS..Hα-helixtrans-66-19.2-179.3-71.4-80.6000113.5F39 M42 A43 E49 T51 R68 L73 Q74F39-Y70 HydrophobicContact CB-CD1 4.02Å; F39-Y70 HydrophobicContact CD1-CD1 4.07Å; F39-Y70 HydrophobicContact CD1-CE1 4.32Å; F39-Y70 HydrophobicContact CG-CD1 4.26Å; M42-Y70 HydrophobicContact CB-CD1 3.98Å; M42-Y70 HydrophobicContact CB-CE1 3.41Å; M42-Y70 VanDerWaalsContact CB-CE1 3.41Å; M42-Y70 HydrophobicContact CB-CE2 4.06Å; M42-Y70 VanDerWaalsContact CB-CZ 3.48Å; M42-Y70 HydrophobicContact CE-CE1 4.11Å; M42-Y70 WeakPolarHBondContact CE-OH 3.26Å; M42-Y70 HydrophobicContact CG-CE1 4.16Å; M42-Y70 HydrophobicContact SD-CE1 3.69Å; A43-Y70 HydrophobicContact CB-CD2 4.13Å; A43-Y70 HydrophobicContact CB-CG 4.08Å; E49-Y70 PolarHBondContact O-OH 2.74Å; T51-Y70 PolarHBondContact OG1-OH 3.37Å; R68-Y70 WeakPolarHBondContact O-CD2 3.37Å; R68-Y70 PolarHBondContact O-N 3.32Å; R68-Y70 VanDerWaalsContact O-N 3.16Å; Y70-L73 HydrophobicContact CD1-CD1 3.8Å; Y70-L73 HydrophobicContact CE1-CD1 4.03Å; Y70-L73 PolarHBondContact O-N 3.09Å; Y70-Q74 WeakPolarHBondContact O-CB 3.34Å; Y70-Q74 PolarHBondContact O-N 3.23Å
71N95.2Very high94.7Very high106 Ų10661.7 Ų61.757%0.56733%0.326SS*.Hα-helixtrans-66-44.2173.4-59.7-41000110.4D69 L73 Q74 E75D69-N71 PolarHBondContact O-N 3.25Å; D69-N71 WeakPolarHBondContact OD1-CB 2.94Å; D69-N71 PolarHBondContact OD1-N 3.45Å; N71-L73 VanDerWaalsContact C-N 3.29Å; N71-L73 PolarHBondContact O-N 2.86Å; N71-Q74 PolarHBondContact O-N 2.97Å; N71-E75 WeakPolarHBondContact O-CG 3.39Å; N71-E75 PolarHBondContact O-N 3.21Å
72T95.9Very high94.5Very high50 Ų5059.8 Ų59.831%0.30732%0.32SS..Hα-helixtrans-63.3-36.3177.463.30000112.5D69 A76D69-T72 HydrophobicContact CB-CG2 4.17Å; D69-T72 PolarHBondContact O-N 2.67Å; D69-T72 PolarHBondContact O-OG1 3.27Å; D69-T72 PolarHBondContact OD1-N 2.76Å; D69-T72 WeakPolarHBondContact OD2-CG2 3.35Å; T72-A76 WeakPolarHBondContact O-CB 3.45Å; T72-A76 PolarHBondContact O-N 3.23Å; T72-A76 VanDerWaalsContact O-N 3.1Å
73L96.9Very high94.3Very high0 Ų061.5 Ų61.50%032%0.322CS..Hα-helixtrans-66-41.9174.7-73.4164.4000111.4F39 T51 L53 V64 T67 D69 Y70 N71 A76 L77F39-L73 HydrophobicContact CD2-CB 3.9Å; F39-L73 HydrophobicContact CE2-CB 3.76Å; F39-L73 HydrophobicContact CG-CB 4.39Å; F39-L73 HydrophobicContact CZ-CB 4.15Å; F39-L73 HydrophobicContact CZ-CD2 4.49Å; T51-L73 HydrophobicContact CG2-CD1 3.89Å; L53-L73 HydrophobicContact CB-CD2 3.79Å; V64-L73 HydrophobicContact CB-CD2 3.77Å; V64-L73 HydrophobicContact CG1-CD2 3.72Å; V64-L73 HydrophobicContact CG1-CG 4.22Å; V64-L73 HydrophobicContact CG2-CD2 4.19Å; T67-L73 HydrophobicContact CG2-CD1 3.92Å; T67-L73 HydrophobicContact CG2-CD2 4.45Å; T67-L73 HydrophobicContact CG2-CG 3.95Å; D69-L73 PolarHBondContact O-N 2.96Å; Y70-L73 HydrophobicContact CD1-CD1 3.8Å; Y70-L73 HydrophobicContact CE1-CD1 4.03Å; Y70-L73 PolarHBondContact O-N 3.09Å; N71-L73 VanDerWaalsContact C-N 3.29Å; N71-L73 PolarHBondContact O-N 2.86Å; L73-A76 WeakPolarHBondContact O-CB 3.18Å; L73-A76 PolarHBondContact O-N 3.02Å; L73-L77 PolarHBondContact O-N 2.96Å
74Q95.4Very high94Very high59 Ų5962.5 Ų62.528%0.27633%0.329SS..Hα-helixtrans-69.7-39.6178.2-170.9172.4-3.200112.6T36 E40 Y70 N71 A76 L77T36-Q74 HydrophobicContact CG2-CG 4.34Å; T36-Q74 VanDerWaalsContact CG2-NE2 3.34Å; E40-Q74 PolarHBondContact OE1-NE2 2.91Å; Y70-Q74 WeakPolarHBondContact O-CB 3.34Å; Y70-Q74 PolarHBondContact O-N 3.23Å; N71-Q74 PolarHBondContact O-N 2.97Å; Q74-A76 VanDerWaalsContact C-N 3.29Å; Q74-A76 PolarHBondContact O-N 3.33Å; Q74-L77 WeakPolarHBondContact O-CB 3.44Å; Q74-L77 PolarHBondContact O-N 2.83Å
75E95.5Very high93.6Very high125 Ų12566.5 Ų66.558%0.58435%0.345SS*.Hα-helixtrans-61.3-38.1173.2-74.9177.3-174.300111.7N71 L77 S78N71-E75 WeakPolarHBondContact O-CG 3.39Å; N71-E75 PolarHBondContact O-N 3.21Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 2.94Å; E75-S78 WeakPolarHBondContact O-CB 3.49Å; E75-S78 PolarHBondContact O-N 3.37Å; E75-S78 VanDerWaalsContact O-N 3.1Å
76A95.6Very high93.3Very high12 Ų1263.1 Ų63.110%0.09932%0.323CS..Hα-helixtrans-62.5-31.6176.400000112.6L53 M63 V64 T72 L73 Q74 S78 N79L53-A76 HydrophobicContact CD2-CB 3.8Å; M63-A76 HydrophobicContact CE-CB 4Å; M63-A76 VanDerWaalsContact CE-O 3.27Å; M63-A76 WeakPolarHBondContact CE-O 3.33Å; M63-A76 HydrophobicContact CG-CB 4.44Å; M63-A76 HydrophobicContact SD-CB 4.03Å; V64-A76 HydrophobicContact CG2-CB 3.67Å; T72-A76 WeakPolarHBondContact O-CB 3.45Å; T72-A76 PolarHBondContact O-N 3.23Å; T72-A76 VanDerWaalsContact O-N 3.1Å; L73-A76 WeakPolarHBondContact O-CB 3.18Å; L73-A76 PolarHBondContact O-N 3.02Å; Q74-A76 VanDerWaalsContact C-N 3.29Å; Q74-A76 PolarHBondContact O-N 3.33Å; A76-S78 VanDerWaalsContact C-N 3.26Å; A76-S78 PolarHBondContact O-N 3.27Å; A76-N79 PolarHBondContact O-N 3.19Å
77L94.4Very high93Very high12 Ų1262.4 Ų62.46%0.06332%0.322CS..Hα-helixtrans-67-25.9175.5-55.4179.6000113.3M7 A32 L35 F39 L53 L73 Q74 E75 M80M7-L77 HydrophobicContact SD-CD2 4.15Å; A32-L77 HydrophobicContact CB-CB 4.29Å; L35-L77 HydrophobicContact CB-CD1 3.65Å; L35-L77 HydrophobicContact CB-CD2 4.19Å; L35-L77 HydrophobicContact CD1-CD2 3.86Å; F39-L77 HydrophobicContact CD2-CD1 3.88Å; F39-L77 HydrophobicContact CD2-CG 4.49Å; F39-L77 HydrophobicContact CE2-CD1 3.74Å; F39-L77 HydrophobicContact CE2-CD2 4.04Å; F39-L77 HydrophobicContact CE2-CG 4.01Å; L53-L77 HydrophobicContact CD2-CD2 4.16Å; L73-L77 PolarHBondContact O-N 2.96Å; Q74-L77 WeakPolarHBondContact O-CB 3.44Å; Q74-L77 PolarHBondContact O-N 2.83Å; E75-L77 VanDerWaalsContact C-N 3.26Å; E75-L77 PolarHBondContact O-N 2.94Å; L77-M80 HydrophobicContact CB-CE 4.28Å; L77-M80 HydrophobicContact CD2-CE 3.33Å; L77-M80 HydrophobicContact CG-CE 4.35Å
78S88.2Confident92.9Very high97 Ų9761.2 Ų61.268%0.67831%0.314SS*.Hα-helixtrans-79.9-20.7-176.5-60.50000113.4E75 A76E75-S78 WeakPolarHBondContact O-CB 3.49Å; E75-S78 PolarHBondContact O-N 3.37Å; E75-S78 VanDerWaalsContact O-N 3.1Å; A76-S78 VanDerWaalsContact C-N 3.26Å; A76-S78 PolarHBondContact O-N 3.27Å
79N81.1Confident92.8Very high124 Ų12458.3 Ų58.366%0.66331%0.305SS*.THydrogen-bonded Turntrans-113.835.2-173.4-64.3-47.1000112.6A76A76-N79 PolarHBondContact O-N 3.19Å
80M87.7Confident92.7Very high27 Ų2757.4 Ų57.413%0.13330%0.304CS..PPolyproline II helixtrans-82.1121.2-178.5-65-152.5-173.500112.8M7 V9 L53 V55 L77M7-M80 HydrophobicContact CE-CE 3.85Å; M7-M80 HydrophobicContact CE-SD 3.39Å; M7-M80 WeakPolarHBondContact CE-SD 3.41Å; M7-M80 HydrophobicContact CG-CE 4.23Å; M7-M80 HydrophobicContact CG-SD 4.14Å; M7-M80 HydrophobicContact SD-CE 3.18Å; M7-M80 WeakPolarHBondContact SD-CE 3.34Å; M7-M80 HydrophobicContact SD-SD 3.46Å; V9-M80 HydrophobicContact CG1-SD 3.73Å; L53-M80 HydrophobicContact CD2-CE 4.16Å; V55-M80 HydrophobicContact CG1-CE 4.37Å; V55-M80 HydrophobicContact CG1-SD 4.39Å; L77-M80 HydrophobicContact CB-CE 4.28Å; L77-M80 HydrophobicContact CD2-CE 3.33Å; L77-M80 HydrophobicContact CG-CE 4.35Å
81D91.9Very high92.7Very high105 Ų10557.1 Ų57.156%0.56130%0.303SS*.PPolyproline II helixtrans-74.4155.7170.8-67.9-43.4000111.9Y83D81-Y83 HydrophobicContact CB-CD2 4.34Å; D81-Y83 HydrophobicContact CB-CE2 3.52Å; D81-Y83 WeakPolarHBondContact O-CD2 3.4Å; D81-Y83 PolarHBondContact OD2-OH 3.09Å
82D93Very high92.7Very high79 Ų7952.1 Ų52.142%0.42228%0.276SS..PPolyproline II helixtrans-98129.6176.9-62.5-45.6000110.7T14 K28T14-D82 HydrophobicContact CG2-CB 3.97Å; T14-D82 WeakPolarHBondContact CG2-OD1 3.25Å; K28-D82 VanDerWaalsContact CD-OD1 3.25Å; K28-D82 WeakPolarHBondContact CD-OD1 3.44Å; K28-D82 WeakPolarHBondContact CE-OD1 3.47Å; K28-D82 IonicContact NZ-OD1 3.36Å; K28-D82 PolarHBondContact NZ-OD1 3.32Å; K28-D82 IonicContact NZ-OD2 3.17Å; K28-D82 PolarHBondContact NZ-OD2 3.44Å
83Y93.8Very high92.7Very high98 Ų9852.3 Ų52.338%0.38428%0.277SS..  trans-119.6-166.3-176.2-65.5-83.8000112.5V9 L11 S57 D81V9-Y83 HydrophobicContact CB-CD2 4.05Å; V9-Y83 HydrophobicContact CG2-CD2 3.53Å; V9-Y83 HydrophobicContact CG2-CE2 4.13Å; V9-Y83 HydrophobicContact CG2-CG 4.43Å; V9-Y83 PolarHBondContact O-N 2.97Å; L11-Y83 WeakPolarHBondContact CA-O 3.38Å; L11-Y83 WeakPolarHBondContact CB-O 3.35Å; L11-Y83 PolarHBondContact N-O 3.38Å; S57-Y83 VanDerWaalsContact OG-CB 3.31Å; S57-Y83 WeakPolarHBondContact OG-CB 3.47Å; D81-Y83 HydrophobicContact CB-CD2 4.34Å; D81-Y83 HydrophobicContact CB-CE2 3.52Å; D81-Y83 WeakPolarHBondContact O-CD2 3.4Å; D81-Y83 PolarHBondContact OD2-OH 3.09Å
84D89Confident92.7Very high88 Ų8852.3 Ų52.347%0.47128%0.277SS..SBendtrans-94.9-86.6-163.163.1-13.4000114.1L11 S57 S58L11-D84 VanDerWaalsContact CB-O 3.29Å; L11-D84 WeakPolarHBondContact CB-O 3.35Å; L11-D84 PolarHBondContact N-O 3.09Å; L11-D84 VanDerWaalsContact N-O 3.14Å; S57-D84 PolarHBondContact OG-N 2.93Å; S57-D84 VanDerWaalsContact OG-N 3.11Å; S57-D84 PolarHBondContact OG-OD1 2.94Å; S57-D84 VanDerWaalsContact OG-OD1 3.12Å; S58-D84 WeakPolarHBondContact CB-OD1 3.43Å; S58-D84 PolarHBondContact N-OD1 3.41Å; S58-D84 PolarHBondContact OG-OD1 2.84Å; S58-D84 PolarHBondContact OG-OD2 3.34Å
85K89.6Confident92.8Very high99 Ų9949.5 Ų49.543%0.4326%0.264SS..  trans-116.6164.6-172.364.4170.3-175.4170.80111S57 S58 R123S57-K85 CarbonylContact C-O 2.71Å; S57-K85 WeakPolarHBondContact CA-O 3.27Å; S57-K85 WeakPolarHBondContact CB-O 3.42Å; S57-K85 PolarHBondContact OG-N 3.17Å; S57-K85 PolarHBondContact OG-O 3.37Å; S58-K85 PolarHBondContact N-O 3.5Å; K85-R123 PolarHBondContact NZ-O 3.42Å
86T92Very high92.9Very high8 Ų844.1 Ų44.15%0.04924%0.24CC..  trans-88.9140.6175.751.80000112.1D8 S10 F56 S57 C118 G120D8-T86 WeakPolarHBondContact OD2-CG2 3.43Å; S10-T86 WeakPolarHBondContact OG-CG2 3.46Å; F56-T86 HydrophobicContact CE2-CG2 4.32Å; S57-T86 CarbonylContact O-C 3.5Å; T86-C118 WeakPolarHBondContact CG2-O 3.31Å; T86-C118 PolarHBondContact OG1-O 3.46Å; T86-C118 VanDerWaalsContact OG1-O 3.05Å; T86-G120 PolarHBondContact OG1-N 2.86Å
87C92.9Very high92.9Very high16 Ų1647.4 Ų47.411%0.10826%0.256CS..  trans-13861.1172.3-75.90000110.5S57 E89 S90 A91S57-C87 WeakPolarHBondContact O-CB 3.37Å; S57-C87 PolarHBondContact O-N 3.1Å; C87-E89 VanDerWaalsContact C-N 3.32Å; C87-E89 PolarHBondContact O-N 2.85Å; C87-S90 PolarHBondContact O-N 3.01Å; C87-S90 VanDerWaalsContact O-N 3.13Å; C87-A91 PolarHBondContact O-N 3.1Å
88L94.5Very high93Very high6 Ų647.6 Ų47.63%0.03126%0.257CS..Hα-helixtrans-55.3-41.3-171.617959.5000113.7F56 S90 A91 L92 L113 L126 L175F56-L88 HydrophobicContact CE1-CD1 4.33Å; F56-L88 HydrophobicContact CE2-CB 4.09Å; F56-L88 HydrophobicContact CE2-CD1 4.05Å; F56-L88 HydrophobicContact CZ-CD1 3.88Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.38Å; L88-A91 WeakPolarHBondContact O-CB 3.34Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.08Å; L88-L92 HydrophobicContact CD1-CD1 4.49Å; L88-L92 HydrophobicContact CD1-CD2 4.32Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 HydrophobicContact CG-CG 4.23Å; L88-L92 WeakPolarHBondContact O-CG 3.34Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L113 HydrophobicContact CD1-CD1 3.67Å; L88-L113 HydrophobicContact CD1-CD2 3.95Å; L88-L113 HydrophobicContact CD1-CG 4.5Å; L88-L113 HydrophobicContact CD2-CD2 3.9Å; L88-L126 HydrophobicContact CD2-CD1 4.04Å; L88-L126 HydrophobicContact CD2-CD2 4.09Å; L88-L175 HydrophobicContact CD2-CD1 3.71Å
89E94.3Very high93.4Very high34 Ų3443 Ų4316%0.15923%0.225CC..Hα-helixtrans-57.5-42.3-179.5-171.2-163.1141.100112.1C87 A91 L92 V93 S129 R136 F142 P143C87-E89 VanDerWaalsContact C-N 3.32Å; C87-E89 PolarHBondContact O-N 2.85Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.19Å; E89-L92 PolarHBondContact O-N 3.07Å; E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 3.26Å; E89-S129 WeakPolarHBondContact OE2-CB 3.26Å; E89-S129 PolarHBondContact OE2-OG 3.07Å; E89-R136 IonicContact OE1-CZ 3.56Å; E89-R136 IonicContact OE1-NH1 3.42Å; E89-R136 PolarHBondContact OE1-NH1 2.95Å; E89-R136 IonicContact OE1-NH2 3.54Å; E89-R136 IonicContact OE2-CZ 2.69Å; E89-R136 IonicContact OE2-NH1 2.63Å; E89-R136 PolarHBondContact OE2-NH1 3.38Å; E89-R136 IonicContact OE2-NH2 3.92Å; E89-R136 PolarHBondContact OE2-NH2 3.48Å; E89-F142 HydrophobicContact CB-CE2 4.28Å; E89-F142 HydrophobicContact CG-CD2 3.85Å; E89-F142 HydrophobicContact CG-CE2 3.7Å; E89-P143 HydrophobicContact CG-CG 4.18Å
90S93.6Very high94.1Very high54 Ų5441 Ų4138%0.37821%0.212SC..Hα-helixtrans-65.8-36.5178.5-172.20000111.7W60 C87 L88 V93 G94W60-S90 VanDerWaalsContact CD1-O 3.24Å; W60-S90 PolarHBondContact NE1-O 3.42Å; C87-S90 PolarHBondContact O-N 3.01Å; C87-S90 VanDerWaalsContact O-N 3.13Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.38Å; S90-V93 PolarHBondContact O-N 3.28Å; S90-G94 PolarHBondContact O-N 3.36Å; S90-G94 VanDerWaalsContact O-N 3.09Å
91A95.9Very high94.4Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-65.1-43.7175.300000111.1V6 F56 W60 C87 L88 E89 V93 G94 V95V6-A91 HydrophobicContact CG1-CB 4.36Å; F56-A91 HydrophobicContact CB-CB 3.59Å; F56-A91 HydrophobicContact CD1-CB 4.4Å; F56-A91 HydrophobicContact CD2-CB 4.28Å; F56-A91 HydrophobicContact CG-CB 3.84Å; W60-A91 HydrophobicContact CB-CB 3.88Å; W60-A91 HydrophobicContact CG-CB 4.41Å; C87-A91 PolarHBondContact O-N 3.1Å; L88-A91 WeakPolarHBondContact O-CB 3.34Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.08Å; E89-A91 VanDerWaalsContact C-N 3.3Å; E89-A91 PolarHBondContact O-N 3.19Å; A91-V93 VanDerWaalsContact C-N 3.31Å; A91-V93 PolarHBondContact O-N 3.37Å; A91-G94 CarbonylContact O-C 3.51Å; A91-G94 VanDerWaalsContact O-CA 3.28Å; A91-G94 WeakPolarHBondContact O-CA 3.47Å; A91-G94 PolarHBondContact O-N 3.09Å; A91-V95 WeakPolarHBondContact O-CG2 3.44Å; A91-V95 PolarHBondContact O-N 3.35Å
92L96.6Very high94.5Very high1 Ų147.6 Ų47.61%0.00524%0.239CC..Hα-helixtrans-64-33.5176.7-65.2-178.6000112.8L88 E89 G94 V95 C96 P143 L144 F146L88-L92 HydrophobicContact CD1-CD1 4.49Å; L88-L92 HydrophobicContact CD1-CD2 4.32Å; L88-L92 HydrophobicContact CD1-CG 4.1Å; L88-L92 HydrophobicContact CG-CD1 4.18Å; L88-L92 HydrophobicContact CG-CG 4.23Å; L88-L92 WeakPolarHBondContact O-CG 3.34Å; L88-L92 PolarHBondContact O-N 3.4Å; E89-L92 PolarHBondContact O-N 3.07Å; L92-G94 VanDerWaalsContact C-N 3.33Å; L92-V95 WeakPolarHBondContact O-CB 3.44Å; L92-V95 PolarHBondContact O-N 2.99Å; L92-C96 PolarHBondContact O-N 2.96Å; L92-C96 PolarHBondContact O-SG 3.38Å; L92-P143 HydrophobicContact CB-CB 4Å; L92-P143 HydrophobicContact CB-CG 3.5Å; L92-P143 HydrophobicContact CD1-CG 4.3Å; L92-L144 HydrophobicContact CD1-CD1 4.38Å; L92-L144 HydrophobicContact CD1-CG 4.45Å; L92-F146 HydrophobicContact CD2-CZ 4.07Å
93V95.8Very high94.5Very high54 Ų5447.4 Ų47.433%0.32723%0.232SC..Hα-helixtrans-62.9-41.9168.61720000110.7E89 S90 A91 C96 N97 P143E89-V93 WeakPolarHBondContact O-CG2 3.41Å; E89-V93 PolarHBondContact O-N 3.26Å; S90-V93 PolarHBondContact O-N 3.28Å; A91-V93 VanDerWaalsContact C-N 3.31Å; A91-V93 PolarHBondContact O-N 3.37Å; V93-C96 WeakPolarHBondContact O-CB 3.5Å; V93-C96 PolarHBondContact O-N 3.17Å; V93-N97 VanDerWaalsContact O-CG 3.31Å; V93-N97 PolarHBondContact O-N 3.19Å; V93-N97 VanDerWaalsContact O-N 3.14Å; V93-N97 PolarHBondContact O-ND2 3.43Å; V93-P143 HydrophobicContact CG2-CB 4.07Å; V93-P143 HydrophobicContact CG2-CG 4.1Å
94G96.4Very high94.4Very high0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-57.4-46.5172.300000112.9W60 S90 A91 L92 C96 N97 I98W60-G94 VanDerWaalsContact CH2-CA 3.46Å; S90-G94 PolarHBondContact O-N 3.36Å; S90-G94 VanDerWaalsContact O-N 3.09Å; A91-G94 CarbonylContact O-C 3.51Å; A91-G94 VanDerWaalsContact O-CA 3.28Å; A91-G94 WeakPolarHBondContact O-CA 3.47Å; A91-G94 PolarHBondContact O-N 3.09Å; L92-G94 VanDerWaalsContact C-N 3.33Å; G94-C96 VanDerWaalsContact C-N 3.31Å; G94-C96 PolarHBondContact O-N 3.44Å; G94-N97 PolarHBondContact O-N 2.9Å; G94-N97 VanDerWaalsContact O-N 3.15Å; G94-I98 PolarHBondContact O-N 2.8Å
95V97.9Very high94.5Very high0 Ų041.9 Ų41.90%023%0.226CC..Hα-helixtrans-55.6-45.6174.4177.20000111V4 V6 A91 L92 N97 I98 V99 V111 F146 F148V4-V95 HydrophobicContact CB-CG1 4.3Å; V4-V95 HydrophobicContact CG1-CG1 4.16Å; V4-V95 HydrophobicContact CG1-CG2 4.01Å; V4-V95 HydrophobicContact CG2-CG1 4.41Å; V6-V95 HydrophobicContact CG2-CG2 3.54Å; A91-V95 WeakPolarHBondContact O-CG2 3.44Å; A91-V95 PolarHBondContact O-N 3.35Å; L92-V95 WeakPolarHBondContact O-CB 3.44Å; L92-V95 PolarHBondContact O-N 2.99Å; V95-N97 VanDerWaalsContact C-N 3.31Å; V95-N97 PolarHBondContact O-N 3.27Å; V95-I98 WeakPolarHBondContact O-CG1 3.28Å; V95-I98 PolarHBondContact O-N 2.99Å; V95-V99 HydrophobicContact CG1-CG2 4.3Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.44Å; V95-V99 VanDerWaalsContact O-N 3.14Å; V95-V111 HydrophobicContact CG1-CG1 4.38Å; V95-V111 HydrophobicContact CG1-CG2 3.88Å; V95-F146 HydrophobicContact CB-CE1 4.4Å; V95-F146 HydrophobicContact CG1-CE1 4.03Å; V95-F146 HydrophobicContact CG1-CZ 4.33Å; V95-F148 HydrophobicContact CG1-CZ 4.46Å
96C96.7Very high94.3Very high12 Ų1241.2 Ų41.28%0.08124%0.238CC..Hα-helixtrans-56.5-47.7177.5-650000111.8L92 V93 G94 Q100 P147L92-C96 PolarHBondContact O-N 2.96Å; L92-C96 PolarHBondContact O-SG 3.38Å; V93-C96 WeakPolarHBondContact O-CB 3.5Å; V93-C96 PolarHBondContact O-N 3.17Å; G94-C96 VanDerWaalsContact C-N 3.31Å; G94-C96 PolarHBondContact O-N 3.44Å; C96-Q100 WeakPolarHBondContact O-CB 3.45Å; C96-Q100 VanDerWaalsContact O-CG 3.29Å; C96-Q100 WeakPolarHBondContact O-CG 3.37Å; C96-Q100 PolarHBondContact O-N 3.18Å; C96-Q100 VanDerWaalsContact O-N 3.08Å; C96-P147 HydrophobicContact CB-CG 4.47Å
97N95.9Very high94.1Very high81 Ų8144 Ų4443%0.43325%0.252SS..Hα-helixtrans-65.4-48.2-176.4-65.1-27.3000112V93 G94 V95 V99 Q100 Q101V93-N97 VanDerWaalsContact O-CG 3.31Å; V93-N97 PolarHBondContact O-N 3.19Å; V93-N97 VanDerWaalsContact O-N 3.14Å; V93-N97 PolarHBondContact O-ND2 3.43Å; G94-N97 PolarHBondContact O-N 2.9Å; G94-N97 VanDerWaalsContact O-N 3.15Å; V95-N97 VanDerWaalsContact C-N 3.31Å; V95-N97 PolarHBondContact O-N 3.27Å; N97-V99 PolarHBondContact O-N 3.32Å; N97-Q100 PolarHBondContact O-N 2.94Å; N97-Q101 WeakPolarHBondContact O-CB 3.14Å; N97-Q101 PolarHBondContact O-N 3.39Å
98I97.3Very high93.9Very high16 Ų1645.1 Ų45.18%0.08226%0.259CS..Hα-helixtrans-66.7-37.3-176.765.8177.1000111.8V4 V54 L62 F66 G94 V95 E102V4-I98 HydrophobicContact CG1-CD1 3.97Å; V4-I98 HydrophobicContact CG2-CD1 4.23Å; V54-I98 HydrophobicContact CG2-CD1 3.66Å; L62-I98 HydrophobicContact CD1-CD1 3.97Å; L62-I98 HydrophobicContact CD2-CG2 4.16Å; F66-I98 HydrophobicContact CE2-CG1 4.4Å; G94-I98 PolarHBondContact O-N 2.8Å; V95-I98 WeakPolarHBondContact O-CG1 3.28Å; V95-I98 PolarHBondContact O-N 2.99Å; I98-E102 WeakPolarHBondContact O-CG 3.34Å; I98-E102 PolarHBondContact O-N 3.01Å
99V96.6Very high93.9Very high0 Ų044.9 Ų44.90%026%0.259CS..Hα-helixtrans-68.9-48.91791740000110.1V4 F66 V95 N97 Q101 E102 W103 C109 F148V4-V99 HydrophobicContact CG2-CG2 3.73Å; F66-V99 HydrophobicContact CZ-CG2 4.07Å; V95-V99 HydrophobicContact CG1-CG2 4.3Å; V95-V99 VanDerWaalsContact O-CG2 3.28Å; V95-V99 WeakPolarHBondContact O-CG2 3.45Å; V95-V99 PolarHBondContact O-N 3.44Å; V95-V99 VanDerWaalsContact O-N 3.14Å; N97-V99 PolarHBondContact O-N 3.32Å; V99-Q101 VanDerWaalsContact C-N 3.31Å; V99-Q101 PolarHBondContact O-N 3.15Å; V99-E102 PolarHBondContact O-N 2.8Å; V99-W103 PolarHBondContact O-N 3.33Å; V99-C109 HydrophobicContact CG1-CB 4.06Å; V99-F148 HydrophobicContact CB-CD1 4.05Å; V99-F148 HydrophobicContact CB-CE1 3.54Å; V99-F148 HydrophobicContact CB-CE2 4.48Å; V99-F148 HydrophobicContact CB-CZ 3.8Å; V99-F148 HydrophobicContact CG1-CD1 3.56Å; V99-F148 HydrophobicContact CG1-CD2 4.04Å; V99-F148 HydrophobicContact CG1-CE1 3.54Å; V99-F148 HydrophobicContact CG1-CE2 4.03Å; V99-F148 HydrophobicContact CG1-CG 3.83Å; V99-F148 HydrophobicContact CG1-CZ 3.79Å; V99-F148 HydrophobicContact CG2-CE1 4.06Å; V99-F148 HydrophobicContact CG2-CE2 4.37Å; V99-F148 HydrophobicContact CG2-CZ 3.78Å
100Q94.6Very high94Very high84 Ų8443.8 Ų43.839%0.39325%0.253SS..Hα-helixtrans-66.2-34.4-179-70.8-177.2-48.500112.7C96 N97 G104 P147 F148C96-Q100 WeakPolarHBondContact O-CB 3.45Å; C96-Q100 VanDerWaalsContact O-CG 3.29Å; C96-Q100 WeakPolarHBondContact O-CG 3.37Å; C96-Q100 PolarHBondContact O-N 3.18Å; C96-Q100 VanDerWaalsContact O-N 3.08Å; N97-Q100 PolarHBondContact O-N 2.94Å; Q100-G104 VanDerWaalsContact O-CA 3.28Å; Q100-G104 WeakPolarHBondContact O-CA 3.39Å; Q100-G104 PolarHBondContact O-N 3.37Å; Q100-G104 VanDerWaalsContact O-N 3.08Å; Q100-P147 HydrophobicContact CG-CG 4.25Å; Q100-F148 HydrophobicContact CG-CD1 4.21Å
101Q94.7Very high94.2Very high154 Ų15441.2 Ų41.272%0.7224%0.235SC*.Hα-helixtrans-66.1-39.3178.2-179.1175.8-24.300112.3N97 V99N97-Q101 WeakPolarHBondContact O-CB 3.14Å; N97-Q101 PolarHBondContact O-N 3.39Å; V99-Q101 VanDerWaalsContact C-N 3.31Å; V99-Q101 PolarHBondContact O-N 3.15Å
102E94.4Very high94.4Very high115 Ų11541.2 Ų41.254%0.53724%0.235SC..Hα-helixtrans-91.4-41.4-175.5-70-70.4160.400112.8F66 I98 V99F66-E102 HydrophobicContact CD2-CB 4.05Å; F66-E102 HydrophobicContact CD2-CG 3.9Å; F66-E102 HydrophobicContact CE2-CB 4.24Å; F66-E102 HydrophobicContact CE2-CG 4.32Å; I98-E102 WeakPolarHBondContact O-CG 3.34Å; I98-E102 PolarHBondContact O-N 3.01Å; V99-E102 PolarHBondContact O-N 2.8Å
103W91.7Very high94.5Very high76 Ų7641.1 Ų41.129%0.28824%0.235SC..Hα-helixtrans-117.4-8.6-169.2-51.8105.5000114P2 F50 F66 V99 I107P2-W103 HydrophobicContact CB-CZ2 4.36Å; P2-W103 HydrophobicContact CG-CD2 4.12Å; P2-W103 HydrophobicContact CG-CG 3.9Å; F50-W103 HydrophobicContact CB-CH2 4.19Å; F50-W103 HydrophobicContact CB-CZ2 3.65Å; F50-W103 HydrophobicContact CD1-CH2 4.26Å; F50-W103 HydrophobicContact CD1-CZ2 4.16Å; F50-W103 AromaticContact CD2-CH2 3.34Å; F50-W103 HydrophobicContact CD2-CH2 3.34Å; F50-W103 AromaticContact CD2-CZ2 3.74Å; F50-W103 HydrophobicContact CD2-CZ2 3.74Å; F50-W103 HydrophobicContact CD2-CZ3 4.37Å; F50-W103 HydrophobicContact CE1-CH2 4.49Å; F50-W103 AromaticContact CE2-CH2 3.6Å; F50-W103 HydrophobicContact CE2-CH2 3.6Å; F50-W103 HydrophobicContact CE2-CZ2 4.37Å; F50-W103 HydrophobicContact CE2-CZ3 4.49Å; F50-W103 AromaticContact CG-CH2 3.69Å; F50-W103 HydrophobicContact CG-CH2 3.69Å; F50-W103 AromaticContact CG-CZ2 3.6Å; F50-W103 HydrophobicContact CG-CZ2 3.6Å; F50-W103 HydrophobicContact CZ-CH2 4.18Å; F66-W103 HydrophobicContact CB-CZ2 4.28Å; F66-W103 AromaticContact CD1-NE1 3.69Å; F66-W103 AromaticContact CD2-NE1 3.47Å; F66-W103 AromaticContact CE1-NE1 3.69Å; F66-W103 AromaticContact CE2-CD1 3.83Å; F66-W103 AromaticContact CE2-NE1 3.44Å; F66-W103 HydrophobicContact CG-CZ2 4.29Å; F66-W103 AromaticContact CG-NE1 3.58Å; F66-W103 AromaticContact CZ-CD1 3.91Å; F66-W103 AromaticContact CZ-NE1 3.55Å; V99-W103 PolarHBondContact O-N 3.33Å; W103-I107 HydrophobicContact CB-CB 4.08Å; W103-I107 HydrophobicContact CB-CG1 4.22Å; W103-I107 HydrophobicContact CB-CG2 4.44Å; W103-I107 WeakPolarHBondContact O-CG1 3.41Å
104G92.7Very high94.6Very high30 Ų3038.6 Ų38.631%0.30922%0.219SC..  trans73.1-158.4-172.100000113Q100Q100-G104 VanDerWaalsContact O-CA 3.28Å; Q100-G104 WeakPolarHBondContact O-CA 3.39Å; Q100-G104 PolarHBondContact O-N 3.37Å; Q100-G104 VanDerWaalsContact O-N 3.08Å
105G90.1Very high94.6Very high40 Ų4038.7 Ų38.741%0.41222%0.22SC..SBendtrans-102.5-3.9-174.300000116F148 P149G105-F148 WeakPolarHBondContact O-CA 3.44Å; G105-P149 WeakPolarHBondContact O-CD 3.37Å
106A85.9Confident94.5Very high84 Ų8438.8 Ų38.869%0.69422%0.221SC*.SBendtrans-105.3-11.3-17200000113.9P108A106-P108 WeakPolarHBondContact O-CD 3.41Å
107I87.1Confident94.2Very high67 Ų6738.3 Ų38.334%0.34422%0.218SC..SBendtrans-88.3123.1-178.3-58.8-58.5000108.8P2 W103 C109P2-I107 HydrophobicContact CG-CG2 4.44Å; W103-I107 HydrophobicContact CB-CB 4.08Å; W103-I107 HydrophobicContact CB-CG1 4.22Å; W103-I107 HydrophobicContact CB-CG2 4.44Å; W103-I107 WeakPolarHBondContact O-CG1 3.41Å; I107-C109 PolarHBondContact O-N 3.14Å
108P89.7Confident93.8Very high39 Ų3937 Ų3725%0.25322%0.215SC..  trans-60.2133.5174.9-22.933000111.2M1 P2 A106 P149M1-P108 VanDerWaalsContact CA-O 3.28Å; M1-P108 WeakPolarHBondContact CA-O 3.26Å; M1-P108 WeakPolarHBondContact CG-O 3.43Å; P2-P108 WeakPolarHBondContact CD-O 3.46Å; A106-P108 WeakPolarHBondContact O-CD 3.41Å; P108-P149 CarbonylContact C-O 3.58Å; P108-P149 VanDerWaalsContact CA-O 3.24Å; P108-P149 WeakPolarHBondContact CA-O 3.38Å; P108-P149 HydrophobicContact CB-CB 4.13Å; P108-P149 HydrophobicContact CG-CB 4.16Å; P108-P149 HydrophobicContact CG-CG 4.48Å
109C94.6Very high92.9Very high2 Ų237.1 Ų37.11%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-133.2132.1-179.5-178.40000112.1P2 V99 I107 F148 P149 S150 K151P2-C109 HydrophobicContact CG-CB 4.07Å; P2-C109 CarbonylContact O-C 3.47Å; P2-C109 VanDerWaalsContact O-CA 3.28Å; P2-C109 WeakPolarHBondContact O-CA 3.39Å; P2-C109 PolarHBondContact O-SG 3.22Å; V99-C109 HydrophobicContact CG1-CB 4.06Å; I107-C109 PolarHBondContact O-N 3.14Å; C109-F148 HydrophobicContact CB-CD2 3.91Å; C109-F148 HydrophobicContact CB-CE2 3.88Å; C109-P149 PolarHBondContact N-O 2.98Å; C109-S150 WeakPolarHBondContact O-CA 3.22Å; C109-S150 WeakPolarHBondContact O-CB 3.25Å; C109-K151 PolarHBondContact O-N 3.08Å
110Q96.3Very high91.8Very high10 Ų1038.5 Ų38.55%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-93.7132.3177.8-58.3-176.48.900110M1 P2 T3 V4 Y153 A208 Y209M1-Q110 HydrophobicContact CG-CG 4.3Å; M1-Q110 HydrophobicContact SD-CG 4.11Å; M1-Q110 PolarHBondContact SD-NE2 3.42Å; P2-Q110 PolarHBondContact O-N 3.23Å; T3-Q110 CarbonylContact C-O 3.45Å; T3-Q110 VanDerWaalsContact CA-O 3.29Å; T3-Q110 WeakPolarHBondContact CA-O 3.24Å; V4-Q110 PolarHBondContact N-O 3.03Å; Q110-Y153 HydrophobicContact CB-CE2 4.3Å; Q110-Y153 HydrophobicContact CG-CE2 4.3Å; Q110-A208 PolarHBondContact NE2-O 2.89Å; Q110-Y209 VanDerWaalsContact OE1-CE1 3.25Å; Q110-Y209 PolarHBondContact OE1-OH 3.44Å; Q110-Y209 VanDerWaalsContact OE1-OH 3.06Å
111V98.3Very high90.8Very high0 Ų042.5 Ų42.50%025%0.252CS..EExtended strand (participates in β ladder)trans-112.1116.1178.2-177.10000108.5V4 V6 V95 F146 K151 L152 Y153V4-V111 WeakPolarHBondContact O-CA 3.47Å; V6-V111 HydrophobicContact CG2-CG1 3.92Å; V95-V111 HydrophobicContact CG1-CG1 4.38Å; V95-V111 HydrophobicContact CG1-CG2 3.88Å; V111-F146 HydrophobicContact CB-CE2 4.29Å; V111-F146 HydrophobicContact CB-CZ 4.37Å; V111-F146 HydrophobicContact CG1-CZ 4.3Å; V111-F146 HydrophobicContact CG2-CE2 3.87Å; V111-F146 HydrophobicContact CG2-CZ 3.87Å; V111-K151 PolarHBondContact N-O 3.39Å; V111-L152 HydrophobicContact CB-CD1 4.04Å; V111-L152 HydrophobicContact CG1-CD1 3.89Å; V111-Y153 PolarHBondContact O-N 2.85Å
112V98.6Very high90.2Very high0 Ų037.4 Ų37.40%024%0.241CC..EExtended strand (participates in β ladder)trans-105.198.7179.6-177.30000108.6T3 V4 V5 V6 V114 Y153 M155 L204 Y209T3-V112 HydrophobicContact CG2-CG2 4.12Å; V4-V112 PolarHBondContact O-N 3.36Å; V5-V112 WeakPolarHBondContact CA-O 3.34Å; V5-V112 HydrophobicContact CG2-CB 4.45Å; V6-V112 PolarHBondContact N-O 2.82Å; V112-V114 HydrophobicContact CG1-CG2 4.21Å; V112-Y153 CarbonylContact C-O 3.54Å; V112-Y153 WeakPolarHBondContact CA-O 3.24Å; V112-Y153 HydrophobicContact CG2-CD2 4.44Å; V112-M155 HydrophobicContact CG1-CG 3.85Å; V112-L204 HydrophobicContact CG1-CD2 3.95Å; V112-L204 HydrophobicContact CG2-CD2 4.23Å; V112-Y209 WeakPolarHBondContact CG2-OH 3.42Å
113L98.6Very high89.3Confident0 Ų042.2 Ų42.20%025%0.254CS..EExtended strand (participates in β ladder)trans-87.2122.4176.6173.762.1000110V6 F56 L88 T115 L152 Y153 I154 M155V6-L113 HydrophobicContact CB-CD1 4.06Å; V6-L113 HydrophobicContact CG1-CD1 3.9Å; V6-L113 WeakPolarHBondContact O-CA 3.32Å; F56-L113 HydrophobicContact CE1-CD1 3.73Å; F56-L113 HydrophobicContact CZ-CD1 4Å; L88-L113 HydrophobicContact CD1-CD1 3.67Å; L88-L113 HydrophobicContact CD1-CD2 3.95Å; L88-L113 HydrophobicContact CD1-CG 4.5Å; L88-L113 HydrophobicContact CD2-CD2 3.9Å; L113-T115 HydrophobicContact CD1-CG2 4.44Å; L113-T115 HydrophobicContact CD2-CG2 4.31Å; L113-T115 HydrophobicContact CG-CG2 4.1Å; L113-L152 HydrophobicContact CB-CD1 4.43Å; L113-Y153 PolarHBondContact N-O 2.8Å; L113-I154 HydrophobicContact CB-CG1 4.42Å; L113-I154 HydrophobicContact CD2-CD1 4.41Å; L113-I154 HydrophobicContact CD2-CG1 4.24Å; L113-I154 HydrophobicContact CD2-CG2 4.2Å; L113-I154 HydrophobicContact CG-CG2 4.44Å; L113-I154 CarbonylContact O-C 3.37Å; L113-I154 WeakPolarHBondContact O-CA 3.25Å; L113-M155 PolarHBondContact O-N 2.85Å
114V98.4Very high88.7Confident0 Ų039.7 Ų39.70%025%0.252CS..EExtended strand (participates in β ladder)trans-115.9112.4177.1-1700000109.3V6 D8 A31 L35 V112 M155 M157 F201V6-V114 PolarHBondContact O-N 3.4Å; D8-V114 VanDerWaalsContact CB-O 3.28Å; D8-V114 WeakPolarHBondContact CB-O 3.29Å; D8-V114 PolarHBondContact N-O 3.19Å; A31-V114 HydrophobicContact CB-CG1 3.7Å; L35-V114 HydrophobicContact CD1-CG2 4.21Å; L35-V114 HydrophobicContact CD2-CG2 3.97Å; L35-V114 HydrophobicContact CG-CG2 4.19Å; V112-V114 HydrophobicContact CG1-CG2 4.21Å; V114-M155 HydrophobicContact CB-CB 4.48Å; V114-M155 HydrophobicContact CG1-CB 4.33Å; V114-M155 HydrophobicContact CG2-CB 4.11Å; V114-M155 HydrophobicContact CG2-CG 4.16Å; V114-M157 HydrophobicContact CG1-CG 3.79Å; V114-M157 HydrophobicContact CG1-SD 3.81Å; V114-F201 HydrophobicContact CG1-CZ 4.46Å; V114-F201 HydrophobicContact CG2-CZ 4.14Å
115T96.9Very high88.6Confident3 Ų338.7 Ų38.72%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-152.8156.2-176.4178.20000110.4D8 L113 G117 M155 C156 M157D8-T115 WeakPolarHBondContact OD2-CB 3.39Å; D8-T115 PolarHBondContact OD2-OG1 3.17Å; L113-T115 HydrophobicContact CD1-CG2 4.44Å; L113-T115 HydrophobicContact CD2-CG2 4.31Å; L113-T115 HydrophobicContact CG-CG2 4.1Å; T115-G117 PolarHBondContact O-N 3.49Å; T115-G117 PolarHBondContact OG1-N 3.01Å; T115-M155 PolarHBondContact N-O 2.91Å; T115-C156 CarbonylContact O-C 3.55Å; T115-C156 WeakPolarHBondContact O-CA 3.48Å; T115-M157 PolarHBondContact O-N 2.76Å
116D95.3Very high88.6Confident2 Ų236.9 Ų36.91%0.01122%0.22CC..  trans-80.70.4172.466.8-3.6000113.3S12 M13 R15 C118 M157 A158S12-D116 WeakPolarHBondContact CB-OD2 3.46Å; S12-D116 VanDerWaalsContact O-OD2 3.07Å; S12-D116 PolarHBondContact OG-OD1 3.36Å; S12-D116 PolarHBondContact OG-OD2 3.48Å; M13-D116 HydrophobicContact SD-CB 3.58Å; M13-D116 VanDerWaalsContact SD-CB 3.58Å; M13-D116 PolarHBondContact SD-N 3.28Å; R15-D116 IonicContact CZ-OD2 3.31Å; R15-D116 IonicContact NE-OD2 2.91Å; R15-D116 IonicContact NH2-OD2 2.67Å; R15-D116 PolarHBondContact NH2-OD2 3.08Å; D116-C118 VanDerWaalsContact C-N 3.26Å; D116-C118 PolarHBondContact O-N 2.93Å; D116-C118 WeakPolarHBondContact OD1-CB 3.44Å; D116-C118 PolarHBondContact OD1-N 3.49Å; D116-M157 HydrophobicContact CB-CB 4.21Å; D116-A158 WeakPolarHBondContact O-CB 3.2Å
117G90.2Very high88.8Confident2 Ų239.6 Ų39.62%0.02121%0.213CC..SBendtrans7512.3-177.800000113.3T115 L119 S168T115-G117 PolarHBondContact O-N 3.49Å; T115-G117 PolarHBondContact OG1-N 3.01Å; G117-L119 WeakPolarHBondContact O-CG 3.29Å; G117-L119 PolarHBondContact O-N 3.14Å; G117-S168 WeakPolarHBondContact O-CB 3.06Å; G117-S168 PolarHBondContact O-OG 3.19Å; G117-S168 VanDerWaalsContact O-OG 3.07Å
118C87.6Confident89Confident54 Ų5440 Ų4037%0.36521%0.213SC..  trans-81.586.2172.5-165.10000110.2S12 T86 D116 G120S12-C118 WeakPolarHBondContact OG-CB 3.28Å; T86-C118 WeakPolarHBondContact CG2-O 3.31Å; T86-C118 PolarHBondContact OG1-O 3.46Å; T86-C118 VanDerWaalsContact OG1-O 3.05Å; D116-C118 VanDerWaalsContact C-N 3.26Å; D116-C118 PolarHBondContact O-N 2.93Å; D116-C118 WeakPolarHBondContact OD1-CB 3.44Å; D116-C118 PolarHBondContact OD1-N 3.49Å; C118-G120 PolarHBondContact O-N 2.95Å
119L79.7Confident89Confident17 Ų1738.4 Ų38.49%0.08920%0.202CC..  trans-75.312.5-165.9-61.8170.8000115.9G117 S125 L126 C171 L172G117-L119 WeakPolarHBondContact O-CG 3.29Å; G117-L119 PolarHBondContact O-N 3.14Å; L119-S125 WeakPolarHBondContact O-CA 3.4Å; L119-S125 WeakPolarHBondContact O-CB 3.46Å; L119-L126 HydrophobicContact CB-CB 3.84Å; L119-L126 HydrophobicContact CD1-CB 4.09Å; L119-L126 HydrophobicContact CD1-CD2 3.76Å; L119-L126 HydrophobicContact CD1-CG 4.43Å; L119-L126 HydrophobicContact CD2-CB 3.82Å; L119-L126 HydrophobicContact CD2-CD2 3.5Å; L119-L126 VanDerWaalsContact CD2-CD2 3.5Å; L119-L126 HydrophobicContact CD2-CG 4.29Å; L119-L126 HydrophobicContact CG-CB 4.09Å; L119-L126 HydrophobicContact CG-CD2 4.15Å; L119-L126 PolarHBondContact O-N 2.8Å; L119-L126 VanDerWaalsContact O-N 3.11Å; L119-C171 HydrophobicContact CD1-CB 3.26Å; L119-L172 HydrophobicContact CD2-CD2 4.03Å
120G72.6Confident88.8Confident30 Ų3039.5 Ų39.531%0.30921%0.208SC..  trans71.7176.8-179.200000114.2T86 C118 S125T86-G120 PolarHBondContact OG1-N 2.86Å; C118-G120 PolarHBondContact O-N 2.95Å; G120-S125 VanDerWaalsContact C-CB 3.46Å; G120-S125 VanDerWaalsContact O-CB 3.31Å; G120-S125 WeakPolarHBondContact O-CB 3.47Å
121I73.3Confident88.5Confident167 Ų16742.7 Ų42.786%0.85624%0.236SC*.SBendtrans-127.5138.9176.953.1171.4000111.2
122G81.5Confident88Confident47 Ų4744 Ų4449%0.48524%0.244SC..SBendtrans82.8-149175.700000114.8G124 S125 H128G122-G124 PolarHBondContact O-N 3.33Å; G122-S125 WeakPolarHBondContact O-CB 3.39Å; G122-S125 PolarHBondContact O-N 3.28Å; G122-S125 VanDerWaalsContact O-N 3.16Å; G122-S125 PolarHBondContact O-OG 2.91Å; G122-H128 WeakPolarHBondContact O-CB 3.48Å
123R76.8Confident87.4Confident217 Ų21746.1 Ų46.182%0.81925%0.254SS*.THydrogen-bonded Turntrans-68.1122.5-178.4-76.9-174177.9-171.1-0.3110.8K85K85-R123 PolarHBondContact NZ-O 3.42Å
124G79.2Confident86.6Confident23 Ų2353.7 Ų53.724%0.23729%0.294CS..THydrogen-bonded Turntrans100.5-13.1-17500000114.1G122G122-G124 PolarHBondContact O-N 3.33Å
125S89.4Confident85.8Confident8 Ų861.4 Ų61.46%0.05633%0.331CS..  trans-68.4147.3172.9660000111.6L119 G120 G122 R127 H128 S129L119-S125 WeakPolarHBondContact O-CA 3.4Å; L119-S125 WeakPolarHBondContact O-CB 3.46Å; G120-S125 VanDerWaalsContact C-CB 3.46Å; G120-S125 VanDerWaalsContact O-CB 3.31Å; G120-S125 WeakPolarHBondContact O-CB 3.47Å; G122-S125 WeakPolarHBondContact O-CB 3.39Å; G122-S125 PolarHBondContact O-N 3.28Å; G122-S125 VanDerWaalsContact O-N 3.16Å; G122-S125 PolarHBondContact O-OG 2.91Å; S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.3Å; S125-H128 PolarHBondContact O-N 2.92Å; S125-H128 VanDerWaalsContact OG-CB 3.31Å; S125-H128 WeakPolarHBondContact OG-CB 3.28Å; S125-H128 PolarHBondContact OG-N 3.5Å; S125-S129 PolarHBondContact O-N 3.5Å; S125-S129 PolarHBondContact O-OG 3.07Å
126L91.3Very high85.1Confident2 Ų264.5 Ų64.51%0.0134%0.342CS..Hα-helixtrans-59.6-40.5178.6-171.962.7000111.4L88 L119 H128 S129 L130 F142 C171 L172 L175L88-L126 HydrophobicContact CD2-CD1 4.04Å; L88-L126 HydrophobicContact CD2-CD2 4.09Å; L119-L126 HydrophobicContact CB-CB 3.84Å; L119-L126 HydrophobicContact CD1-CB 4.09Å; L119-L126 HydrophobicContact CD1-CD2 3.76Å; L119-L126 HydrophobicContact CD1-CG 4.43Å; L119-L126 HydrophobicContact CD2-CB 3.82Å; L119-L126 HydrophobicContact CD2-CD2 3.5Å; L119-L126 VanDerWaalsContact CD2-CD2 3.5Å; L119-L126 HydrophobicContact CD2-CG 4.29Å; L119-L126 HydrophobicContact CG-CB 4.09Å; L119-L126 HydrophobicContact CG-CD2 4.15Å; L119-L126 PolarHBondContact O-N 2.8Å; L119-L126 VanDerWaalsContact O-N 3.11Å; L126-H128 VanDerWaalsContact C-N 3.29Å; L126-H128 PolarHBondContact O-N 2.98Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 2.81Å; L126-S129 VanDerWaalsContact O-N 3.08Å; L126-L130 HydrophobicContact CD1-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CG 4.29Å; L126-L130 HydrophobicContact CD2-CD1 4.31Å; L126-L130 HydrophobicContact CG-CD1 3.93Å; L126-L130 HydrophobicContact CG-CG 4.17Å; L126-L130 WeakPolarHBondContact O-CG 3.28Å; L126-L130 PolarHBondContact O-N 3.47Å; L126-F142 HydrophobicContact CD1-CZ 4.46Å; L126-C171 HydrophobicContact CD2-CB 4.07Å; L126-L172 HydrophobicContact CD2-CD2 4.4Å; L126-L175 HydrophobicContact CD1-CD1 4.35Å; L126-L175 HydrophobicContact CD1-CD2 3.85Å; L126-L175 HydrophobicContact CD1-CG 4.47Å; L126-L175 HydrophobicContact CD2-CD1 3.75Å; L126-L175 HydrophobicContact CD2-CD2 4.35Å; L126-L175 HydrophobicContact CD2-CG 4.08Å
127R89.6Confident84.3Confident142 Ų14267.8 Ų67.854%0.53637%0.365SS..Hα-helixtrans-58.9-41.7179.3-159176.3-154.1175.24.5112S125 A131 D167S125-R127 VanDerWaalsContact C-N 3.26Å; S125-R127 PolarHBondContact O-N 3.3Å; R127-A131 VanDerWaalsContact O-CB 3.3Å; R127-A131 WeakPolarHBondContact O-CB 3.5Å; R127-A131 PolarHBondContact O-N 3.38Å; R127-A131 VanDerWaalsContact O-N 3.08Å; R127-D167 IonicContact CZ-OD2 2.74Å; R127-D167 IonicContact NE-OD2 2.93Å; R127-D167 IonicContact NH2-OD2 3.51Å; R127-D167 PolarHBondContact NH2-OD2 2.88Å
128H90.8Very high83.6Confident76 Ų7676.4 Ų76.435%0.35241%0.405SS..Hα-helixtrans-68.5-40.6175.3-178.469.5000112G122 S125 L126 A131 T132G122-H128 WeakPolarHBondContact O-CB 3.48Å; S125-H128 PolarHBondContact O-N 2.92Å; S125-H128 VanDerWaalsContact OG-CB 3.31Å; S125-H128 WeakPolarHBondContact OG-CB 3.28Å; S125-H128 PolarHBondContact OG-N 3.5Å; L126-H128 VanDerWaalsContact C-N 3.29Å; L126-H128 PolarHBondContact O-N 2.98Å; H128-A131 PolarHBondContact O-N 3.39Å; H128-T132 WeakPolarHBondContact O-CB 3.29Å; H128-T132 WeakPolarHBondContact O-CG2 3.49Å; H128-T132 PolarHBondContact O-N 2.97Å; H128-T132 PolarHBondContact O-OG1 3.01Å
129S91Very high82.8Confident4 Ų478.3 Ų78.33%0.02842%0.419CS..Hα-helixtrans-62.7-45.7178.7-70.80000112.6E89 S125 L126 T132 Q133E89-S129 WeakPolarHBondContact OE2-CB 3.26Å; E89-S129 PolarHBondContact OE2-OG 3.07Å; S125-S129 PolarHBondContact O-N 3.5Å; S125-S129 PolarHBondContact O-OG 3.07Å; L126-S129 WeakPolarHBondContact O-CB 3.46Å; L126-S129 PolarHBondContact O-N 2.81Å; L126-S129 VanDerWaalsContact O-N 3.08Å; S129-T132 PolarHBondContact O-N 3.19Å; S129-T132 PolarHBondContact O-OG1 2.68Å; S129-Q133 PolarHBondContact O-N 3.1Å
130L90.3Very high82.8Confident26 Ų2682.8 Ų82.814%0.13644%0.443CS..Hα-helixtrans-64.2-43175.6-66.8175.2000111.7L126 T132 Q133 F142 C171 R174 L175 L178L126-L130 HydrophobicContact CD1-CD1 4.49Å; L126-L130 HydrophobicContact CD1-CG 4.29Å; L126-L130 HydrophobicContact CD2-CD1 4.31Å; L126-L130 HydrophobicContact CG-CD1 3.93Å; L126-L130 HydrophobicContact CG-CG 4.17Å; L126-L130 WeakPolarHBondContact O-CG 3.28Å; L126-L130 PolarHBondContact O-N 3.47Å; L130-T132 VanDerWaalsContact C-N 3.29Å; L130-T132 PolarHBondContact O-N 3.45Å; L130-Q133 WeakPolarHBondContact O-CB 3.11Å; L130-Q133 PolarHBondContact O-N 3.43Å; L130-F142 HydrophobicContact CD2-CE1 4.4Å; L130-F142 HydrophobicContact CD2-CZ 4.03Å; L130-C171 HydrophobicContact CD1-CB 4.01Å; L130-R174 HydrophobicContact CD1-CB 4.13Å; L130-R174 HydrophobicContact CD1-CG 4.2Å; L130-R174 HydrophobicContact CD2-CG 4.13Å; L130-L175 HydrophobicContact CD2-CD2 4.18Å; L130-L178 HydrophobicContact CD2-CD1 3.59Å
131A88.9Confident83.5Confident76 Ų7689.8 Ų89.863%0.62846%0.46SS*.Hα-helixtrans-65.4-30.2178.700000113.6R127 H128R127-A131 VanDerWaalsContact O-CB 3.3Å; R127-A131 WeakPolarHBondContact O-CB 3.5Å; R127-A131 PolarHBondContact O-N 3.38Å; R127-A131 VanDerWaalsContact O-N 3.08Å; H128-A131 PolarHBondContact O-N 3.39Å
132T88.2Confident84.4Confident27 Ų2782.3 Ų82.317%0.16642%0.421CS..Hα-helixtrans-93-2-178.554.10000113.7H128 S129 L130 N134 Q135 R136H128-T132 WeakPolarHBondContact O-CB 3.29Å; H128-T132 WeakPolarHBondContact O-CG2 3.49Å; H128-T132 PolarHBondContact O-N 2.97Å; H128-T132 PolarHBondContact O-OG1 3.01Å; S129-T132 PolarHBondContact O-N 3.19Å; S129-T132 PolarHBondContact O-OG1 2.68Å; L130-T132 VanDerWaalsContact C-N 3.29Å; L130-T132 PolarHBondContact O-N 3.45Å; T132-N134 PolarHBondContact O-N 3.21Å; T132-Q135 PolarHBondContact O-N 3.22Å; T132-Q135 VanDerWaalsContact O-N 3.07Å; T132-R136 WeakPolarHBondContact O-CG 3.44Å; T132-R136 PolarHBondContact OG1-NE 3.03Å; T132-R136 PolarHBondContact OG1-NH2 2.87Å
133Q85.7Confident84.9Confident46 Ų4680.6 Ų80.622%0.21540%0.402CS..G310 helixtrans-51.6-49.1-172.5-176.1-1762.900113.6S129 L130 Q135 R136 F142S129-Q133 PolarHBondContact O-N 3.1Å; L130-Q133 WeakPolarHBondContact O-CB 3.11Å; L130-Q133 PolarHBondContact O-N 3.43Å; Q133-Q135 PolarHBondContact O-N 3.27Å; Q133-R136 PolarHBondContact O-N 3.31Å; Q133-F142 HydrophobicContact CG-CB 4.17Å
134N81.8Confident85.7Confident158 Ų15870.5 Ų70.585%0.84536%0.364SS*.G310 helixtrans-71.1-10.8-175.6-67.4-23.2000114.2T132T132-N134 PolarHBondContact O-N 3.21Å
135Q82.8Confident86.5Confident163 Ų16371.7 Ų71.776%0.76237%0.368SS*.G310 helixtrans-97.21.5-175.9-59.61786.300112.6T132 Q133T132-Q135 PolarHBondContact O-N 3.22Å; T132-Q135 VanDerWaalsContact O-N 3.07Å; Q133-Q135 PolarHBondContact O-N 3.27Å
136R81.8Confident86.8Confident67 Ų6772 Ų7225%0.25337%0.368SS..  trans-94.3141.7-169.4-64.4168.9175.1-138.57.7112.1E89 T132 Q133 N140E89-R136 IonicContact OE1-CZ 3.56Å; E89-R136 IonicContact OE1-NH1 3.42Å; E89-R136 PolarHBondContact OE1-NH1 2.95Å; E89-R136 IonicContact OE1-NH2 3.54Å; E89-R136 IonicContact OE2-CZ 2.69Å; E89-R136 IonicContact OE2-NH1 2.63Å; E89-R136 PolarHBondContact OE2-NH1 3.38Å; E89-R136 IonicContact OE2-NH2 3.92Å; E89-R136 PolarHBondContact OE2-NH2 3.48Å; T132-R136 WeakPolarHBondContact O-CG 3.44Å; T132-R136 PolarHBondContact OG1-NE 3.03Å; T132-R136 PolarHBondContact OG1-NH2 2.87Å; Q133-R136 PolarHBondContact O-N 3.31Å; R136-N140 WeakPolarHBondContact CD-O 3.21Å; R136-N140 PolarHBondContact NH1-O 3.07Å
137S78.7Confident86.9Confident71 Ų7175 Ų7550%0.49739%0.387SS..  trans-78.2165.517052.90000111.4S139 N140 R141S137-S139 PolarHBondContact O-N 3.03Å; S137-S139 PolarHBondContact OG-OG 3.05Å; S137-N140 CarbonylContact O-C 3.54Å; S137-N140 PolarHBondContact O-N 3.06Å; S137-R141 PolarHBondContact O-N 3.33Å
138E74.6Confident87.1Confident183 Ų18368.6 Ų68.686%0.85536%0.364SS*.G310 helixtrans-53.9-30.3177.3-68.8-161.7154.600113.5N140E138-N140 VanDerWaalsContact C-N 3.26Å; E138-N140 PolarHBondContact O-N 3.21Å
139S71.7Confident87.1Confident95 Ų9567.7 Ų67.766%0.66436%0.364SS*.G310 helixtrans-66.3-21.9179.160.40000114.6S137S137-S139 PolarHBondContact O-N 3.03Å; S137-S139 PolarHBondContact OG-OG 3.05Å
140N79.6Confident87.2Confident111 Ų11168 Ų6859%0.59437%0.367SS*.G310 helixtrans-131.636.7-178.5-72.9-15.2000111R136 S137 E138R136-N140 WeakPolarHBondContact CD-O 3.21Å; R136-N140 PolarHBondContact NH1-O 3.07Å; S137-N140 CarbonylContact O-C 3.54Å; S137-N140 PolarHBondContact O-N 3.06Å; E138-N140 VanDerWaalsContact C-N 3.26Å; E138-N140 PolarHBondContact O-N 3.21Å
141R86.6Confident87.5Confident177 Ų17769.3 Ų69.367%0.66837%0.371SS*.  trans-61.3142.2-179.4-167176.7177.4170.3-1.3110.4S137S137-R141 PolarHBondContact O-N 3.33Å
142F91.2Very high87.9Confident9 Ų965.7 Ų65.74%0.03934%0.341CS..  trans-61.7139.1172.5-165-102.3000109.7E89 L126 L130 Q133 L144 L175 L178E89-F142 HydrophobicContact CB-CE2 4.28Å; E89-F142 HydrophobicContact CG-CD2 3.85Å; E89-F142 HydrophobicContact CG-CE2 3.7Å; L126-F142 HydrophobicContact CD1-CZ 4.46Å; L130-F142 HydrophobicContact CD2-CE1 4.4Å; L130-F142 HydrophobicContact CD2-CZ 4.03Å; Q133-F142 HydrophobicContact CG-CB 4.17Å; F142-L144 HydrophobicContact CD1-CB 3.92Å; F142-L144 HydrophobicContact CD1-CG 4.43Å; F142-L144 HydrophobicContact CE1-CB 3.87Å; F142-L144 HydrophobicContact CE1-CD1 4.06Å; F142-L144 HydrophobicContact CE1-CG 3.98Å; F142-L144 PolarHBondContact O-N 3.11Å; F142-L144 VanDerWaalsContact O-N 3.17Å; F142-L175 HydrophobicContact CE1-CD2 4.05Å; F142-L175 HydrophobicContact CZ-CD2 3.81Å; F142-L178 HydrophobicContact CD1-CD1 3.95Å; F142-L178 HydrophobicContact CE1-CD1 3.69Å
143P92.4Very high88.4Confident12 Ų1265.1 Ų65.18%0.07834%0.336CS..SBendtrans-70-11-171.124.8-33.4000114.7E89 L92 V93 P145E89-P143 HydrophobicContact CG-CG 4.18Å; L92-P143 HydrophobicContact CB-CB 4Å; L92-P143 HydrophobicContact CB-CG 3.5Å; L92-P143 HydrophobicContact CD1-CG 4.3Å; V93-P143 HydrophobicContact CG2-CB 4.07Å; V93-P143 HydrophobicContact CG2-CG 4.1Å; P143-P145 CarbonylContact O-C 3.44Å
144L94.4Very high89Confident4 Ų463 Ų632%0.02133%0.326CS..PPolyproline II helixtrans-102.6140.6175.4-58.7-179.5000111.8L92 F142 F146 L152 L175 L178 N179L92-L144 HydrophobicContact CD1-CD1 4.38Å; L92-L144 HydrophobicContact CD1-CG 4.45Å; F142-L144 HydrophobicContact CD1-CB 3.92Å; F142-L144 HydrophobicContact CD1-CG 4.43Å; F142-L144 HydrophobicContact CE1-CB 3.87Å; F142-L144 HydrophobicContact CE1-CD1 4.06Å; F142-L144 HydrophobicContact CE1-CG 3.98Å; F142-L144 PolarHBondContact O-N 3.11Å; F142-L144 VanDerWaalsContact O-N 3.17Å; L144-F146 HydrophobicContact CD2-CD1 4.11Å; L144-F146 HydrophobicContact CD2-CD2 3.53Å; L144-F146 HydrophobicContact CD2-CE1 4Å; L144-F146 HydrophobicContact CD2-CE2 3.42Å; L144-F146 VanDerWaalsContact CD2-CE2 3.42Å; L144-F146 HydrophobicContact CD2-CG 3.9Å; L144-F146 HydrophobicContact CD2-CZ 3.68Å; L144-L152 HydrophobicContact CD1-CD2 4.07Å; L144-L175 HydrophobicContact CD1-CB 3.92Å; L144-L175 HydrophobicContact CD1-CD2 3.78Å; L144-L175 HydrophobicContact CD1-CG 4.44Å; L144-L175 VanDerWaalsContact CD1-O 3.29Å; L144-L175 WeakPolarHBondContact CD1-O 3.18Å; L144-L178 HydrophobicContact CB-CB 3.85Å; L144-L178 HydrophobicContact CD1-CB 4.38Å; L144-N179 HydrophobicContact CD2-CB 4.41Å
145P95.4Very high89.8Confident49 Ų4955.4 Ų55.432%0.31829%0.286SS..SBendcis-68.8150.1-229.3-35.2000111.6P143 L178P143-P145 CarbonylContact O-C 3.44Å; P145-L178 VanDerWaalsContact CA-O 3.3Å; P145-L178 WeakPolarHBondContact CA-O 3.39Å; P145-L178 WeakPolarHBondContact CB-O 2.97Å; P145-L178 WeakPolarHBondContact CD-O 3.44Å; P145-L178 VanDerWaalsContact N-O 3.11Å
146F96.1Very high90.5Very high14 Ų1447.7 Ų47.76%0.06125%0.25CC..PPolyproline II helixtrans-59.6147.7178.6-74-67.2000111.1L92 V95 V111 L144 F148 S150 L152 N179L92-F146 HydrophobicContact CD2-CZ 4.07Å; V95-F146 HydrophobicContact CB-CE1 4.4Å; V95-F146 HydrophobicContact CG1-CE1 4.03Å; V95-F146 HydrophobicContact CG1-CZ 4.33Å; V111-F146 HydrophobicContact CB-CE2 4.29Å; V111-F146 HydrophobicContact CB-CZ 4.37Å; V111-F146 HydrophobicContact CG1-CZ 4.3Å; V111-F146 HydrophobicContact CG2-CE2 3.87Å; V111-F146 HydrophobicContact CG2-CZ 3.87Å; L144-F146 HydrophobicContact CD2-CD1 4.11Å; L144-F146 HydrophobicContact CD2-CD2 3.53Å; L144-F146 HydrophobicContact CD2-CE1 4Å; L144-F146 HydrophobicContact CD2-CE2 3.42Å; L144-F146 VanDerWaalsContact CD2-CE2 3.42Å; L144-F146 HydrophobicContact CD2-CG 3.9Å; L144-F146 HydrophobicContact CD2-CZ 3.68Å; F146-F148 HydrophobicContact CB-CD2 4.19Å; F146-F148 HydrophobicContact CB-CE1 4.35Å; F146-F148 HydrophobicContact CB-CE2 3.9Å; F146-F148 HydrophobicContact CB-CZ 3.98Å; F146-F148 HydrophobicContact CD1-CE1 4.24Å; F146-F148 HydrophobicContact CD1-CE2 4.24Å; F146-F148 AromaticContact CD1-CZ 3.68Å; F146-F148 HydrophobicContact CD1-CZ 3.68Å; F146-F148 HydrophobicContact CE1-CZ 4.31Å; F146-F148 HydrophobicContact CG-CE2 4Å; F146-F148 AromaticContact CG-CZ 3.91Å; F146-F148 HydrophobicContact CG-CZ 3.91Å; F146-F148 PolarHBondContact O-N 2.82Å; F146-S150 WeakPolarHBondContact CB-OG 3.44Å; F146-S150 VanDerWaalsContact CD2-OG 3.28Å; F146-S150 WeakPolarHBondContact CD2-OG 3.47Å; F146-L152 HydrophobicContact CE2-CD1 4.45Å; F146-N179 WeakPolarHBondContact CD2-OD1 3.27Å; F146-N179 PolarHBondContact N-OD1 3.13Å; F146-N179 VanDerWaalsContact N-OD1 3.13Å
147P93.6Very high91.2Very high64 Ų6444.5 Ų44.542%0.41624%0.237SC..SBendtrans-79.39.2-179.334.4-37.3000113.7C96 Q100C96-P147 HydrophobicContact CB-CG 4.47Å; Q100-P147 HydrophobicContact CG-CG 4.25Å
148F93Very high91.9Very high9 Ų941.1 Ų41.14%0.03921%0.214CC..SBendtrans-134.7156.5176.146.2-97.8000109.1V95 V99 Q100 G105 C109 F146 S150V95-F148 HydrophobicContact CG1-CZ 4.46Å; V99-F148 HydrophobicContact CB-CD1 4.05Å; V99-F148 HydrophobicContact CB-CE1 3.54Å; V99-F148 HydrophobicContact CB-CE2 4.48Å; V99-F148 HydrophobicContact CB-CZ 3.8Å; V99-F148 HydrophobicContact CG1-CD1 3.56Å; V99-F148 HydrophobicContact CG1-CD2 4.04Å; V99-F148 HydrophobicContact CG1-CE1 3.54Å; V99-F148 HydrophobicContact CG1-CE2 4.03Å; V99-F148 HydrophobicContact CG1-CG 3.83Å; V99-F148 HydrophobicContact CG1-CZ 3.79Å; V99-F148 HydrophobicContact CG2-CE1 4.06Å; V99-F148 HydrophobicContact CG2-CE2 4.37Å; V99-F148 HydrophobicContact CG2-CZ 3.78Å; Q100-F148 HydrophobicContact CG-CD1 4.21Å; G105-F148 WeakPolarHBondContact O-CA 3.44Å; C109-F148 HydrophobicContact CB-CD2 3.91Å; C109-F148 HydrophobicContact CB-CE2 3.88Å; F146-F148 HydrophobicContact CB-CD2 4.19Å; F146-F148 HydrophobicContact CB-CE1 4.35Å; F146-F148 HydrophobicContact CB-CE2 3.9Å; F146-F148 HydrophobicContact CB-CZ 3.98Å; F146-F148 HydrophobicContact CD1-CE1 4.24Å; F146-F148 HydrophobicContact CD1-CE2 4.24Å; F146-F148 AromaticContact CD1-CZ 3.68Å; F146-F148 HydrophobicContact CD1-CZ 3.68Å; F146-F148 HydrophobicContact CE1-CZ 4.31Å; F146-F148 HydrophobicContact CG-CE2 4Å; F146-F148 AromaticContact CG-CZ 3.91Å; F146-F148 HydrophobicContact CG-CZ 3.91Å; F146-F148 PolarHBondContact O-N 2.82Å; F148-S150 PolarHBondContact O-N 3.32Å
149P91.4Very high92.8Very high56 Ų5634.2 Ų34.236%0.36418%0.183SC..SBendtrans-57126.9174.1-18.329.3000109.4G105 P108 C109G105-P149 WeakPolarHBondContact O-CD 3.37Å; P108-P149 CarbonylContact C-O 3.58Å; P108-P149 VanDerWaalsContact CA-O 3.24Å; P108-P149 WeakPolarHBondContact CA-O 3.38Å; P108-P149 HydrophobicContact CB-CB 4.13Å; P108-P149 HydrophobicContact CG-CB 4.16Å; P108-P149 HydrophobicContact CG-CG 4.48Å; C109-P149 PolarHBondContact N-O 2.98Å
150S93.7Very high93.8Very high12 Ų1231.5 Ų31.58%0.08416%0.161CC..EExtended strand (participates in β ladder)trans-148.6153.4-16963.20000113.2C109 F146 F148 N179 E182C109-S150 WeakPolarHBondContact O-CA 3.22Å; C109-S150 WeakPolarHBondContact O-CB 3.25Å; F146-S150 WeakPolarHBondContact CB-OG 3.44Å; F146-S150 VanDerWaalsContact CD2-OG 3.28Å; F146-S150 WeakPolarHBondContact CD2-OG 3.47Å; F148-S150 PolarHBondContact O-N 3.32Å; S150-N179 PolarHBondContact OG-ND2 3.05Å; S150-N179 VanDerWaalsContact OG-ND2 3.07Å; S150-N179 PolarHBondContact OG-OD1 3.23Å; S150-E182 VanDerWaalsContact O-CB 3.3Å; S150-E182 WeakPolarHBondContact O-CB 3.47Å
151K95.2Very high94.5Very high52 Ų5233.2 Ų33.223%0.22617%0.165CC..EExtended strand (participates in β ladder)trans-121.9124.1165.6-63.1-66-171.9-1770108.3C109 V111 Y153 E182C109-K151 PolarHBondContact O-N 3.08Å; V111-K151 PolarHBondContact N-O 3.39Å; K151-Y153 HydrophobicContact CB-CD2 4.39Å; K151-Y153 HydrophobicContact CB-CE1 4.27Å; K151-Y153 HydrophobicContact CB-CE2 3.69Å; K151-E182 HydrophobicContact CD-CB 4.2Å; K151-E182 WeakPolarHBondContact CE-OE2 3.41Å; K151-E182 IonicContact NZ-OE1 3.62Å; K151-E182 PolarHBondContact NZ-OE1 3.43Å; K151-E182 IonicContact NZ-OE2 3.63Å; K151-E182 PolarHBondContact NZ-OE2 2.96Å
152L98Very high94.8Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-97.9104176.718060.5000110.2V111 L113 L144 F146 I154 L175 E182 G183 Q184V111-L152 HydrophobicContact CB-CD1 4.04Å; V111-L152 HydrophobicContact CG1-CD1 3.89Å; L113-L152 HydrophobicContact CB-CD1 4.43Å; L144-L152 HydrophobicContact CD1-CD2 4.07Å; F146-L152 HydrophobicContact CE2-CD1 4.45Å; L152-I154 HydrophobicContact CD1-CG1 4.46Å; L152-I154 HydrophobicContact CD2-CD1 4.27Å; L152-I154 HydrophobicContact CG-CD1 4.35Å; L152-I154 HydrophobicContact CG-CG1 4.07Å; L152-L175 HydrophobicContact CD2-CB 3.97Å; L152-E182 PolarHBondContact N-O 3.1Å; L152-G183 CarbonylContact O-C 3.5Å; L152-G183 WeakPolarHBondContact O-CA 3.42Å; L152-Q184 PolarHBondContact O-N 3.06Å
153Y98.4Very high94.9Very high16 Ų1626.4 Ų26.46%0.06314%0.141CC..EExtended strand (participates in β ladder)trans-98124175.4-58.6-58.9000110Q110 V111 V112 L113 K151 Q184 F186 L204 L207 A208Q110-Y153 HydrophobicContact CB-CE2 4.3Å; Q110-Y153 HydrophobicContact CG-CE2 4.3Å; V111-Y153 PolarHBondContact O-N 2.85Å; V112-Y153 CarbonylContact C-O 3.54Å; V112-Y153 WeakPolarHBondContact CA-O 3.24Å; V112-Y153 HydrophobicContact CG2-CD2 4.44Å; L113-Y153 PolarHBondContact N-O 2.8Å; K151-Y153 HydrophobicContact CB-CD2 4.39Å; K151-Y153 HydrophobicContact CB-CE1 4.27Å; K151-Y153 HydrophobicContact CB-CE2 3.69Å; Y153-Q184 WeakPolarHBondContact CA-O 3.34Å; Y153-Q184 HydrophobicContact CD1-CB 4.16Å; Y153-Q184 HydrophobicContact CE1-CB 4.41Å; Y153-F186 AromaticContact CD1-CE2 3.88Å; Y153-F186 HydrophobicContact CD1-CE2 3.88Å; Y153-F186 HydrophobicContact CG-CE2 4.37Å; Y153-L204 HydrophobicContact CD1-CD1 4.07Å; Y153-L204 HydrophobicContact CD2-CD1 3.62Å; Y153-L204 HydrophobicContact CE2-CD1 4.16Å; Y153-L204 HydrophobicContact CG-CD1 3.55Å; Y153-L207 HydrophobicContact CD1-CD2 4.4Å; Y153-L207 HydrophobicContact CE1-CD2 3.68Å; Y153-A208 HydrophobicContact CD2-CB 4.47Å; Y153-A208 HydrophobicContact CE2-CB 3.6Å
154I98.4Very high94.9Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-113108.7-177.1-53.1-178.7000109.4L113 L152 L172 L175 I176 Q184 I185 F186L113-I154 HydrophobicContact CB-CG1 4.42Å; L113-I154 HydrophobicContact CD2-CD1 4.41Å; L113-I154 HydrophobicContact CD2-CG1 4.24Å; L113-I154 HydrophobicContact CD2-CG2 4.2Å; L113-I154 HydrophobicContact CG-CG2 4.44Å; L113-I154 CarbonylContact O-C 3.37Å; L113-I154 WeakPolarHBondContact O-CA 3.25Å; L152-I154 HydrophobicContact CD1-CG1 4.46Å; L152-I154 HydrophobicContact CD2-CD1 4.27Å; L152-I154 HydrophobicContact CG-CD1 4.35Å; L152-I154 HydrophobicContact CG-CG1 4.07Å; I154-L172 HydrophobicContact CD1-CB 4.3Å; I154-L172 HydrophobicContact CD1-CD2 4.39Å; I154-L172 HydrophobicContact CG2-CD1 4.25Å; I154-L172 HydrophobicContact CG2-CD2 4.2Å; I154-L175 HydrophobicContact CD1-CB 4.34Å; I154-L175 HydrophobicContact CD1-CD1 4.28Å; I154-I176 HydrophobicContact CD1-CG1 4.21Å; I154-Q184 PolarHBondContact N-O 2.83Å; I154-I185 HydrophobicContact CB-CG1 4.45Å; I154-F186 PolarHBondContact O-N 2.88Å
155M98.3Very high94.7Very high0 Ų035.7 Ų35.70%019%0.194CC..EExtended strand (participates in β ladder)trans-92.3108.3179.4-46-52.7-74.900109.1V112 L113 V114 T115 F186 M200 F201 L204V112-M155 HydrophobicContact CG1-CG 3.85Å; L113-M155 PolarHBondContact O-N 2.85Å; V114-M155 HydrophobicContact CB-CB 4.48Å; V114-M155 HydrophobicContact CG1-CB 4.33Å; V114-M155 HydrophobicContact CG2-CB 4.11Å; V114-M155 HydrophobicContact CG2-CG 4.16Å; T115-M155 PolarHBondContact N-O 2.91Å; M155-F186 HydrophobicContact CE-CB 4Å; M155-F186 HydrophobicContact CE-CD1 4.48Å; M155-F186 HydrophobicContact CE-CD2 4.23Å; M155-F186 HydrophobicContact CE-CG 4Å; M155-F186 HydrophobicContact SD-CB 3.89Å; M155-F186 HydrophobicContact SD-CD2 3.47Å; M155-F186 WeakPolarHBondContact SD-CD2 3.46Å; M155-F186 HydrophobicContact SD-CE2 4.16Å; M155-F186 HydrophobicContact SD-CG 3.8Å; M155-M200 HydrophobicContact CB-SD 4.17Å; M155-M200 HydrophobicContact CE-CG 3.69Å; M155-M200 HydrophobicContact CE-SD 3.77Å; M155-F201 HydrophobicContact CB-CE2 4.2Å; M155-F201 HydrophobicContact CB-CZ 3.96Å; M155-F201 HydrophobicContact CE-CD1 4.05Å; M155-F201 HydrophobicContact CE-CD2 3.93Å; M155-F201 HydrophobicContact CE-CE1 4.17Å; M155-F201 HydrophobicContact CE-CE2 4.06Å; M155-F201 HydrophobicContact CE-CG 3.95Å; M155-F201 HydrophobicContact CE-CZ 4.19Å; M155-F201 HydrophobicContact CG-CE1 4.13Å; M155-F201 HydrophobicContact CG-CE2 4.42Å; M155-F201 HydrophobicContact CG-CZ 3.89Å; M155-L204 HydrophobicContact CE-CB 3.88Å; M155-L204 HydrophobicContact CE-CD2 3.96Å; M155-L204 HydrophobicContact CG-CD2 4.5Å; M155-L204 HydrophobicContact SD-CB 4.36Å; M155-L204 HydrophobicContact SD-CD2 3.85Å; M155-L204 HydrophobicContact SD-CG 4.5Å
156C97.6Very high94.2Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-89.4114.7-173.7-610000111.8T115 A158 L163 I185 F186 T187 M200T115-C156 CarbonylContact O-C 3.55Å; T115-C156 WeakPolarHBondContact O-CA 3.48Å; C156-A158 PolarHBondContact O-N 3.26Å; C156-L163 HydrophobicContact CB-CD1 3.75Å; C156-I185 VanDerWaalsContact SG-CG2 3.59Å; C156-F186 WeakPolarHBondContact CB-O 3.5Å; C156-F186 PolarHBondContact N-O 3.41Å; C156-T187 HydrophobicContact CB-CG2 4.29Å; C156-M200 WeakPolarHBondContact O-CE 3.46Å
157M96.6Very high93.8Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-82.940.1173.7-50.5-52.4-59.300111.4M13 R27 L30 A31 V114 T115 D116 V197M13-M157 HydrophobicContact CE-CB 4.3Å; M13-M157 HydrophobicContact CE-CG 4.01Å; R27-M157 HydrophobicContact CB-CB 4.27Å; R27-M157 VanDerWaalsContact CD-O 3.32Å; R27-M157 WeakPolarHBondContact CD-O 3.46Å; R27-M157 PolarHBondContact NH1-O 3.07Å; L30-M157 HydrophobicContact CB-CE 3.39Å; A31-M157 VanDerWaalsContact CA-CE 3.46Å; A31-M157 HydrophobicContact CB-CE 3.89Å; A31-M157 HydrophobicContact CB-CG 3.97Å; A31-M157 HydrophobicContact CB-SD 4.03Å; V114-M157 HydrophobicContact CG1-CG 3.79Å; V114-M157 HydrophobicContact CG1-SD 3.81Å; T115-M157 PolarHBondContact O-N 2.76Å; D116-M157 HydrophobicContact CB-CB 4.21Å; M157-V197 HydrophobicContact CE-CG1 4.1Å; M157-V197 HydrophobicContact CE-CG2 3.99Å
158A94.5Very high93.7Very high0 Ų036.5 Ų36.50%020%0.197CC..EExtended strand (participates in β ladder)trans-151.1150176.300000108.8R27 D116 C156 E162 L163R27-A158 VanDerWaalsContact NH1-CA 3.33Å; D116-A158 WeakPolarHBondContact O-CB 3.2Å; C156-A158 PolarHBondContact O-N 3.26Å; A158-E162 HydrophobicContact CB-CB 4.41Å; A158-E162 HydrophobicContact CB-CG 4.36Å; A158-L163 HydrophobicContact CB-CD2 3.9Å; A158-L163 HydrophobicContact CB-CG 3.95Å
159N92.4Very high93.8Very high38 Ų3837 Ų3720%0.20320%0.199CC..EExtended strand (participates in β ladder)trans-77.1164.7176.968.69.8000110.9E161 E162 L163 I188 G190N159-E161 VanDerWaalsContact C-N 3.28Å; N159-E161 PolarHBondContact O-N 3.36Å; N159-E162 PolarHBondContact O-N 3.41Å; N159-E162 WeakPolarHBondContact OD1-CB 3.4Å; N159-E162 PolarHBondContact OD1-N 3.08Å; N159-L163 WeakPolarHBondContact O-CG 3.35Å; N159-L163 PolarHBondContact O-N 2.95Å; N159-I188 WeakPolarHBondContact CA-O 3.25Å; N159-G190 VanDerWaalsContact CB-O 3.26Å; N159-G190 WeakPolarHBondContact CB-O 3.3Å
160L94Very high93.9Very high38 Ų3840.2 Ų40.220%0.19921%0.21CC..Hα-helixtrans-58.5-40.3-176.4-177.360.1000112.5L163 Q164 L169 T187 I188L160-L163 PolarHBondContact O-N 3.4Å; L160-Q164 HydrophobicContact CD1-CG 4.16Å; L160-Q164 HydrophobicContact CG-CG 4.41Å; L160-Q164 WeakPolarHBondContact O-CB 3.3Å; L160-Q164 VanDerWaalsContact O-CG 3.27Å; L160-Q164 WeakPolarHBondContact O-CG 3.27Å; L160-Q164 PolarHBondContact O-N 3.01Å; L160-L169 HydrophobicContact CD1-CD2 3.7Å; L160-T187 HydrophobicContact CD1-CG2 4.46Å; L160-I188 PolarHBondContact N-O 3.42Å
161E92.8Very high93.9Very high148 Ų14840.2 Ų40.269%0.69221%0.21SC*.Hα-helixtrans-61.7-45.1179.1-172.6178.3-176.700112.1N159 Q164 S165N159-E161 VanDerWaalsContact C-N 3.28Å; N159-E161 PolarHBondContact O-N 3.36Å; E161-Q164 PolarHBondContact O-N 2.83Å; E161-S165 WeakPolarHBondContact O-CB 3.36Å; E161-S165 PolarHBondContact O-N 3.49Å
162E92.4Very high93.9Very high40 Ų4037.8 Ų37.819%0.18720%0.199CC..Hα-helixtrans-62.2-45.4177.6-177.9179.6171.500111.3R15 R27 A158 N159 Q164 S165 T166R15-E162 IonicContact CZ-OE1 3.55Å; R15-E162 IonicContact NH1-OE1 2.69Å; R15-E162 PolarHBondContact NH1-OE1 3.35Å; R15-E162 IonicContact NH2-OE1 2.76Å; R15-E162 PolarHBondContact NH2-OE1 2.85Å; R27-E162 IonicContact CZ-OE2 3.7Å; R27-E162 VanDerWaalsContact CZ-OE2 3.27Å; R27-E162 IonicContact NH1-OE1 2.78Å; R27-E162 IonicContact NH1-OE2 3.97Å; R27-E162 PolarHBondContact NH1-OE2 3.18Å; R27-E162 IonicContact NH2-OE1 3.46Å; R27-E162 IonicContact NH2-OE2 2.75Å; R27-E162 PolarHBondContact NH2-OE2 3.4Å; A158-E162 HydrophobicContact CB-CB 4.41Å; A158-E162 HydrophobicContact CB-CG 4.36Å; N159-E162 PolarHBondContact O-N 3.41Å; N159-E162 WeakPolarHBondContact OD1-CB 3.4Å; N159-E162 PolarHBondContact OD1-N 3.08Å; E162-Q164 PolarHBondContact O-N 2.84Å; E162-S165 PolarHBondContact O-N 3.36Å; E162-S165 PolarHBondContact O-OG 3.26Å; E162-T166 PolarHBondContact O-N 2.94Å; E162-T166 PolarHBondContact O-OG1 2.81Å; E162-T166 VanDerWaalsContact O-OG1 3.08Å
163L93.9Very high93.8Very high2 Ų242.3 Ų42.31%0.0122%0.22CC..Hα-helixtrans-65.8-38.8-179.3-65.9170.3000112.4C156 A158 N159 L160 T166 D167 S168 L169 T187C156-L163 HydrophobicContact CB-CD1 3.75Å; A158-L163 HydrophobicContact CB-CD2 3.9Å; A158-L163 HydrophobicContact CB-CG 3.95Å; N159-L163 WeakPolarHBondContact O-CG 3.35Å; N159-L163 PolarHBondContact O-N 2.95Å; L160-L163 PolarHBondContact O-N 3.4Å; L163-T166 PolarHBondContact O-OG1 3.03Å; L163-D167 PolarHBondContact O-N 3.21Å; L163-S168 PolarHBondContact O-N 3.3Å; L163-S168 VanDerWaalsContact O-N 3.09Å; L163-L169 HydrophobicContact CB-CB 4.06Å; L163-L169 PolarHBondContact O-N 3.5Å; L163-T187 HydrophobicContact CD1-CG2 3.78Å
164Q92.4Very high93.6Very high116 Ų11647 Ų4754%0.54224%0.238SC..Hα-helixtrans-69.9-38.3176.9-73.7176.1-1400112.1L160 E161 E162 T166 D167 L169L160-Q164 HydrophobicContact CD1-CG 4.16Å; L160-Q164 HydrophobicContact CG-CG 4.41Å; L160-Q164 WeakPolarHBondContact O-CB 3.3Å; L160-Q164 VanDerWaalsContact O-CG 3.27Å; L160-Q164 WeakPolarHBondContact O-CG 3.27Å; L160-Q164 PolarHBondContact O-N 3.01Å; E161-Q164 PolarHBondContact O-N 2.83Å; E162-Q164 PolarHBondContact O-N 2.84Å; Q164-T166 PolarHBondContact O-N 2.95Å; Q164-D167 PolarHBondContact O-N 2.92Å; Q164-L169 HydrophobicContact CG-CD2 3.94Å
165S90.1Very high93.5Very high95 Ų9547 Ų4766%0.66424%0.238SC*.Hα-helixtrans-63.4-23.6-179740000113.9E161 E162E161-S165 WeakPolarHBondContact O-CB 3.36Å; E161-S165 PolarHBondContact O-N 3.49Å; E162-S165 PolarHBondContact O-N 3.36Å; E162-S165 PolarHBondContact O-OG 3.26Å
166T85.9Confident93.4Very high77 Ų7747.9 Ų47.947%0.47224%0.242SC..THydrogen-bonded Turntrans-110.73.3-174.453.20000114.1E162 L163 Q164 S168E162-T166 PolarHBondContact O-N 2.94Å; E162-T166 PolarHBondContact O-OG1 2.81Å; E162-T166 VanDerWaalsContact O-OG1 3.08Å; L163-T166 PolarHBondContact O-OG1 3.03Å; Q164-T166 PolarHBondContact O-N 2.95Å; T166-S168 PolarHBondContact O-N 2.87Å; T166-S168 PolarHBondContact OG1-OG 2.84Å
167D87.2Confident93.3Very high53 Ų5352.2 Ų52.228%0.28327%0.265SS..THydrogen-bonded Turntrans59.920.3-173.4-165.638.9000113.6R127 L163 Q164 E170R127-D167 IonicContact CZ-OD2 2.74Å; R127-D167 IonicContact NE-OD2 2.93Å; R127-D167 IonicContact NH2-OD2 3.51Å; R127-D167 PolarHBondContact NH2-OD2 2.88Å; L163-D167 PolarHBondContact O-N 3.21Å; Q164-D167 PolarHBondContact O-N 2.92Å; D167-E170 WeakPolarHBondContact OD1-CB 3.45Å
168S91.9Very high93.3Very high14 Ų1453 Ų5310%0.09827%0.27CS..Hα-helixtrans-75.8-33.1-178.7-59.50000111.2G117 L163 T166 C171 L172G117-S168 WeakPolarHBondContact O-CB 3.06Å; G117-S168 PolarHBondContact O-OG 3.19Å; G117-S168 VanDerWaalsContact O-OG 3.07Å; L163-S168 PolarHBondContact O-N 3.3Å; L163-S168 VanDerWaalsContact O-N 3.09Å; T166-S168 PolarHBondContact O-N 2.87Å; T166-S168 PolarHBondContact OG1-OG 2.84Å; S168-C171 PolarHBondContact O-N 3.31Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 2.85Å
169L94Very high93.3Very high19 Ų1953.2 Ų53.210%0.09927%0.271CS..Hα-helixtrans-60.7-47.1178.3-174.160.6000111.9L160 L163 Q164 C171 L172 E173 I185 T187L160-L169 HydrophobicContact CD1-CD2 3.7Å; L163-L169 HydrophobicContact CB-CB 4.06Å; L163-L169 PolarHBondContact O-N 3.5Å; Q164-L169 HydrophobicContact CG-CD2 3.94Å; L169-C171 VanDerWaalsContact C-N 3.26Å; L169-C171 PolarHBondContact O-N 2.82Å; L169-L172 PolarHBondContact O-N 3.09Å; L169-E173 HydrophobicContact CD1-CG 4.37Å; L169-E173 HydrophobicContact CG-CG 4.32Å; L169-E173 WeakPolarHBondContact O-CG 3.36Å; L169-E173 PolarHBondContact O-N 3.35Å; L169-I185 HydrophobicContact CD1-CD1 4.24Å; L169-I185 HydrophobicContact CD1-CG2 4.45Å; L169-T187 HydrophobicContact CD1-CG2 4.21Å
170E93.6Very high93.4Very high125 Ų12557.5 Ų57.558%0.58429%0.294SS*.Hα-helixtrans-59-39.5-179.4-172.4179.215300111.2D167 E173 R174D167-E170 WeakPolarHBondContact OD1-CB 3.45Å; E170-E173 PolarHBondContact O-N 3.1Å; E170-R174 WeakPolarHBondContact O-CB 3.43Å; E170-R174 PolarHBondContact O-N 3.49Å
171C93.8Very high93.3Very high12 Ų1257.7 Ų57.78%0.08131%0.305CS..Hα-helixtrans-66.9-36.7176.9-68.60000112.7L119 L126 L130 S168 L169 L175L119-C171 HydrophobicContact CD1-CB 3.26Å; L126-C171 HydrophobicContact CD2-CB 4.07Å; L130-C171 HydrophobicContact CD1-CB 4.01Å; S168-C171 PolarHBondContact O-N 3.31Å; L169-C171 VanDerWaalsContact C-N 3.26Å; L169-C171 PolarHBondContact O-N 2.82Å; C171-L175 PolarHBondContact O-N 3.3Å
172L95.6Very high93.2Very high0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-72.6-41176.7-65.6175.9000111.4L119 L126 I154 S168 L169 R174 L175 I185L119-L172 HydrophobicContact CD2-CD2 4.03Å; L126-L172 HydrophobicContact CD2-CD2 4.4Å; I154-L172 HydrophobicContact CD1-CB 4.3Å; I154-L172 HydrophobicContact CD1-CD2 4.39Å; I154-L172 HydrophobicContact CG2-CD1 4.25Å; I154-L172 HydrophobicContact CG2-CD2 4.2Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 2.85Å; L169-L172 PolarHBondContact O-N 3.09Å; L172-R174 PolarHBondContact O-N 3.28Å; L172-L175 HydrophobicContact CD2-CD1 4.3Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.44Å; L172-L175 VanDerWaalsContact O-N 3.07Å; L172-I185 HydrophobicContact CB-CD1 3.8Å
173E95.8Very high93.3Very high95 Ų9553.5 Ų53.544%0.44429%0.291SS..Hα-helixtrans-58.2-41.7173.6-72.1175.3162.400110.3L169 E170 L175 I176 D177 I185L169-E173 HydrophobicContact CD1-CG 4.37Å; L169-E173 HydrophobicContact CG-CG 4.32Å; L169-E173 WeakPolarHBondContact O-CG 3.36Å; L169-E173 PolarHBondContact O-N 3.35Å; E170-E173 PolarHBondContact O-N 3.1Å; E173-L175 PolarHBondContact O-N 3.06Å; E173-I176 PolarHBondContact O-N 3.33Å; E173-D177 PolarHBondContact O-N 3.16Å; E173-D177 VanDerWaalsContact O-N 3.11Å; E173-I185 HydrophobicContact CB-CD1 4.21Å; E173-I185 HydrophobicContact CG-CD1 3.52Å
174R95.1Very high93.5Very high114 Ų11457.6 Ų57.643%0.4331%0.31SS..Hα-helixtrans-60.9-29.7177-168.561.5-176.1157.12.4113.5L130 E170 L172 D177 L178L130-R174 HydrophobicContact CD1-CB 4.13Å; L130-R174 HydrophobicContact CD1-CG 4.2Å; L130-R174 HydrophobicContact CD2-CG 4.13Å; E170-R174 WeakPolarHBondContact O-CB 3.43Å; E170-R174 PolarHBondContact O-N 3.49Å; L172-R174 PolarHBondContact O-N 3.28Å; R174-D177 IonicContact NH1-OD2 3.58Å; R174-D177 PolarHBondContact NH1-OD2 3.03Å; R174-L178 WeakPolarHBondContact O-CB 3.24Å; R174-L178 VanDerWaalsContact O-CG 3.24Å; R174-L178 WeakPolarHBondContact O-CG 3.38Å; R174-L178 PolarHBondContact O-N 2.9Å
175L96.1Very high93.7Very high0 Ų053.5 Ų53.50%029%0.292CS..Hα-helixtrans-65.9-40.1175-65.7176.8000111.9L88 L126 L130 F142 L144 L152 I154 C171 L172 E173 L178 N179L88-L175 HydrophobicContact CD2-CD1 3.71Å; L126-L175 HydrophobicContact CD1-CD1 4.35Å; L126-L175 HydrophobicContact CD1-CD2 3.85Å; L126-L175 HydrophobicContact CD1-CG 4.47Å; L126-L175 HydrophobicContact CD2-CD1 3.75Å; L126-L175 HydrophobicContact CD2-CD2 4.35Å; L126-L175 HydrophobicContact CD2-CG 4.08Å; L130-L175 HydrophobicContact CD2-CD2 4.18Å; F142-L175 HydrophobicContact CE1-CD2 4.05Å; F142-L175 HydrophobicContact CZ-CD2 3.81Å; L144-L175 HydrophobicContact CD1-CB 3.92Å; L144-L175 HydrophobicContact CD1-CD2 3.78Å; L144-L175 HydrophobicContact CD1-CG 4.44Å; L144-L175 VanDerWaalsContact CD1-O 3.29Å; L144-L175 WeakPolarHBondContact CD1-O 3.18Å; L152-L175 HydrophobicContact CD2-CB 3.97Å; I154-L175 HydrophobicContact CD1-CB 4.34Å; I154-L175 HydrophobicContact CD1-CD1 4.28Å; C171-L175 PolarHBondContact O-N 3.3Å; L172-L175 HydrophobicContact CD2-CD1 4.3Å; L172-L175 WeakPolarHBondContact O-CB 3.45Å; L172-L175 PolarHBondContact O-N 3.44Å; L172-L175 VanDerWaalsContact O-N 3.07Å; E173-L175 PolarHBondContact O-N 3.06Å; L175-L178 PolarHBondContact O-N 3.35Å; L175-N179 PolarHBondContact O-N 2.95Å
176I96.3Very high94.1Very high19 Ų1949.5 Ų49.510%0.09726%0.263CS..Hα-helixtrans-67.6-42.7177.8-61.3-175.5000110.3I154 E173 L178 N179 N180 G181 Q184 I185I154-I176 HydrophobicContact CD1-CG1 4.21Å; E173-I176 PolarHBondContact O-N 3.33Å; I176-L178 VanDerWaalsContact C-N 3.27Å; I176-L178 PolarHBondContact O-N 3.17Å; I176-N179 CarbonylContact O-C 3.5Å; I176-N179 VanDerWaalsContact O-C 3.31Å; I176-N179 WeakPolarHBondContact O-CA 3.28Å; I176-N179 PolarHBondContact O-N 2.96Å; I176-N180 PolarHBondContact O-N 2.9Å; I176-G181 WeakPolarHBondContact O-CA 3.49Å; I176-G181 PolarHBondContact O-N 3.41Å; I176-Q184 VanDerWaalsContact CD1-C 3.47Å; I176-I185 HydrophobicContact CD1-CB 4.46Å; I176-I185 HydrophobicContact CD1-CD1 4.27Å; I176-I185 HydrophobicContact CD1-CG1 3.37Å; I176-I185 HydrophobicContact CG1-CG1 4.38Å
177D96.1Very high94.5Very high91 Ų9148.1 Ų48.149%0.48725%0.254SS..Hα-helixtrans-56.2-43.5173.8-71.2-14.7000112.1E173 R174 N179 N180E173-D177 PolarHBondContact O-N 3.16Å; E173-D177 VanDerWaalsContact O-N 3.11Å; R174-D177 IonicContact NH1-OD2 3.58Å; R174-D177 PolarHBondContact NH1-OD2 3.03Å; D177-N179 PolarHBondContact O-N 3.4Å; D177-N180 PolarHBondContact O-N 3.39Å
178L95.3Very high94.8Very high18 Ų1846.1 Ų46.19%0.09424%0.243CC..Hα-helixtrans-68.1-21.5177.4-71.2-179000112.7L130 F142 L144 P145 R174 L175 I176 N180L130-L178 HydrophobicContact CD2-CD1 3.59Å; F142-L178 HydrophobicContact CD1-CD1 3.95Å; F142-L178 HydrophobicContact CE1-CD1 3.69Å; L144-L178 HydrophobicContact CB-CB 3.85Å; L144-L178 HydrophobicContact CD1-CB 4.38Å; P145-L178 VanDerWaalsContact CA-O 3.3Å; P145-L178 WeakPolarHBondContact CA-O 3.39Å; P145-L178 WeakPolarHBondContact CB-O 2.97Å; P145-L178 WeakPolarHBondContact CD-O 3.44Å; P145-L178 VanDerWaalsContact N-O 3.11Å; R174-L178 WeakPolarHBondContact O-CB 3.24Å; R174-L178 VanDerWaalsContact O-CG 3.24Å; R174-L178 WeakPolarHBondContact O-CG 3.38Å; R174-L178 PolarHBondContact O-N 2.9Å; L175-L178 PolarHBondContact O-N 3.35Å; I176-L178 VanDerWaalsContact C-N 3.27Å; I176-L178 PolarHBondContact O-N 3.17Å; L178-N180 PolarHBondContact O-N 3.01Å
179N95.8Very high94.8Very high4 Ų452.6 Ų52.62%0.02128%0.277CS..THydrogen-bonded Turntrans-90.527.2169.3-153.247.6000112.4L144 F146 S150 L175 I176 D177 G181 E182L144-N179 HydrophobicContact CD2-CB 4.41Å; F146-N179 WeakPolarHBondContact CD2-OD1 3.27Å; F146-N179 PolarHBondContact N-OD1 3.13Å; F146-N179 VanDerWaalsContact N-OD1 3.13Å; S150-N179 PolarHBondContact OG-ND2 3.05Å; S150-N179 VanDerWaalsContact OG-ND2 3.07Å; S150-N179 PolarHBondContact OG-OD1 3.23Å; L175-N179 PolarHBondContact O-N 2.95Å; I176-N179 CarbonylContact O-C 3.5Å; I176-N179 VanDerWaalsContact O-C 3.31Å; I176-N179 WeakPolarHBondContact O-CA 3.28Å; I176-N179 PolarHBondContact O-N 2.96Å; D177-N179 PolarHBondContact O-N 3.4Å; N179-G181 PolarHBondContact O-N 3.16Å; N179-E182 PolarHBondContact ND2-O 3.49Å; N179-E182 VanDerWaalsContact O-CB 3.27Å; N179-E182 WeakPolarHBondContact O-CB 3.28Å; N179-E182 PolarHBondContact O-N 3.07Å
180N92.9Very high94.6Very high128 Ų12853 Ų5368%0.68429%0.286SS*.THydrogen-bonded Turntrans60.826.7-180-51-45.6000114.6I176 D177 L178 E182I176-N180 PolarHBondContact O-N 2.9Å; D177-N180 PolarHBondContact O-N 3.39Å; L178-N180 PolarHBondContact O-N 3.01Å; N180-E182 PolarHBondContact O-N 3.22Å
181G91.9Very high94.4Very high41 Ų4151.3 Ų51.342%0.42329%0.286SS..THydrogen-bonded Turntrans80.41.4-175.800000114I176 N179 G183I176-G181 WeakPolarHBondContact O-CA 3.49Å; I176-G181 PolarHBondContact O-N 3.41Å; N179-G181 PolarHBondContact O-N 3.16Å; G181-G183 PolarHBondContact O-N 3.27Å
182E91.7Very high94.4Very high78 Ų7851.4 Ų51.436%0.36429%0.285SS..  trans-82.886.6-175.4-65.5-73.687.300111S150 K151 L152 N179 N180S150-E182 VanDerWaalsContact O-CB 3.3Å; S150-E182 WeakPolarHBondContact O-CB 3.47Å; K151-E182 HydrophobicContact CD-CB 4.2Å; K151-E182 WeakPolarHBondContact CE-OE2 3.41Å; K151-E182 IonicContact NZ-OE1 3.62Å; K151-E182 PolarHBondContact NZ-OE1 3.43Å; K151-E182 IonicContact NZ-OE2 3.63Å; K151-E182 PolarHBondContact NZ-OE2 2.96Å; L152-E182 PolarHBondContact N-O 3.1Å; N179-E182 PolarHBondContact ND2-O 3.49Å; N179-E182 VanDerWaalsContact O-CB 3.27Å; N179-E182 WeakPolarHBondContact O-CB 3.28Å; N179-E182 PolarHBondContact O-N 3.07Å; N180-E182 PolarHBondContact O-N 3.22Å
183G94.3Very high94.2Very high23 Ų2352.5 Ų52.524%0.23729%0.292CS..EExtended strand (participates in β ladder)trans162.1-177.1-177.600000113.6L152 G181L152-G183 CarbonylContact O-C 3.5Å; L152-G183 WeakPolarHBondContact O-CA 3.42Å; G181-G183 PolarHBondContact O-N 3.27Å
184Q97.1Very high94.1Very high88 Ų8849.8 Ų49.841%0.41128%0.281SS..EExtended strand (participates in β ladder)trans-152.1141.2172.4-176.4170.7-10.200111.4L152 Y153 I154 I176 F186 L207L152-Q184 PolarHBondContact O-N 3.06Å; Y153-Q184 WeakPolarHBondContact CA-O 3.34Å; Y153-Q184 HydrophobicContact CD1-CB 4.16Å; Y153-Q184 HydrophobicContact CE1-CB 4.41Å; I154-Q184 PolarHBondContact N-O 2.83Å; I176-Q184 VanDerWaalsContact CD1-C 3.47Å; Q184-F186 HydrophobicContact CB-CE2 3.95Å; Q184-F186 HydrophobicContact CB-CZ 4.36Å; Q184-F186 HydrophobicContact CG-CD2 4.45Å; Q184-F186 HydrophobicContact CG-CE2 4.07Å; Q184-F186 HydrophobicContact CG-CZ 4.23Å; Q184-L207 VanDerWaalsContact OE1-CD2 3.24Å
185I97.4Very high94Very high30 Ų3051.9 Ų51.915%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-88.7134.7168.1-51.7-170.8000109.3I154 C156 L169 L172 E173 I176 T187I154-I185 HydrophobicContact CB-CG1 4.45Å; C156-I185 VanDerWaalsContact SG-CG2 3.59Å; L169-I185 HydrophobicContact CD1-CD1 4.24Å; L169-I185 HydrophobicContact CD1-CG2 4.45Å; L172-I185 HydrophobicContact CB-CD1 3.8Å; E173-I185 HydrophobicContact CB-CD1 4.21Å; E173-I185 HydrophobicContact CG-CD1 3.52Å; I176-I185 HydrophobicContact CD1-CB 4.46Å; I176-I185 HydrophobicContact CD1-CD1 4.27Å; I176-I185 HydrophobicContact CD1-CG1 3.37Å; I176-I185 HydrophobicContact CG1-CG1 4.38Å; I185-T187 HydrophobicContact CG2-CG2 3.79Å
186F97.8Very high94Very high11 Ų1154 Ų545%0.04830%0.304CS..EExtended strand (participates in β ladder)trans-111.1112.3172.5-65.6-96.5000109.6Y153 I154 M155 C156 Q184 M200 K203 L204 L207Y153-F186 AromaticContact CD1-CE2 3.88Å; Y153-F186 HydrophobicContact CD1-CE2 3.88Å; Y153-F186 HydrophobicContact CG-CE2 4.37Å; I154-F186 PolarHBondContact O-N 2.88Å; M155-F186 HydrophobicContact CE-CB 4Å; M155-F186 HydrophobicContact CE-CD1 4.48Å; M155-F186 HydrophobicContact CE-CD2 4.23Å; M155-F186 HydrophobicContact CE-CG 4Å; M155-F186 HydrophobicContact SD-CB 3.89Å; M155-F186 HydrophobicContact SD-CD2 3.47Å; M155-F186 WeakPolarHBondContact SD-CD2 3.46Å; M155-F186 HydrophobicContact SD-CE2 4.16Å; M155-F186 HydrophobicContact SD-CG 3.8Å; C156-F186 WeakPolarHBondContact CB-O 3.5Å; C156-F186 PolarHBondContact N-O 3.41Å; Q184-F186 HydrophobicContact CB-CE2 3.95Å; Q184-F186 HydrophobicContact CB-CZ 4.36Å; Q184-F186 HydrophobicContact CG-CD2 4.45Å; Q184-F186 HydrophobicContact CG-CE2 4.07Å; Q184-F186 HydrophobicContact CG-CZ 4.23Å; F186-M200 HydrophobicContact CB-CG 3.48Å; F186-M200 VanDerWaalsContact CB-CG 3.48Å; F186-M200 HydrophobicContact CB-SD 3.67Å; F186-M200 HydrophobicContact CD1-CG 4.33Å; F186-M200 HydrophobicContact CG-CG 4.28Å; F186-M200 VanDerWaalsContact O-CE 3.31Å; F186-M200 WeakPolarHBondContact O-CE 3.38Å; F186-K203 HydrophobicContact CD1-CB 4.25Å; F186-K203 HydrophobicContact CE1-CB 3.85Å; F186-L204 HydrophobicContact CE1-CB 4.37Å; F186-L204 HydrophobicContact CE2-CB 4.48Å; F186-L204 HydrophobicContact CE2-CD1 4.05Å; F186-L204 HydrophobicContact CZ-CB 4.15Å; F186-L204 HydrophobicContact CZ-CD1 4.18Å; F186-L207 HydrophobicContact CZ-CD2 3.84Å
187T95.4Very high94Very high48 Ų4853 Ų5329%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-117.2161.7176.157.20000111.1C156 L160 L163 L169 I185C156-T187 HydrophobicContact CB-CG2 4.29Å; L160-T187 HydrophobicContact CD1-CG2 4.46Å; L163-T187 HydrophobicContact CD1-CG2 3.78Å; L169-T187 HydrophobicContact CD1-CG2 4.21Å; I185-T187 HydrophobicContact CG2-CG2 3.79Å
188I93.7Very high93.9Very high10 Ų1052.9 Ų52.95%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-106.5118.6171.9-68.4156.9000109N159 L160 G190 L192 N196 V197 M200N159-I188 WeakPolarHBondContact CA-O 3.25Å; L160-I188 PolarHBondContact N-O 3.42Å; I188-G190 PolarHBondContact O-N 2.99Å; I188-L192 HydrophobicContact CD1-CD1 3.65Å; I188-N196 HydrophobicContact CD1-CB 3.82Å; I188-N196 HydrophobicContact CG1-CB 4.05Å; I188-N196 HydrophobicContact CG2-CB 3.85Å; I188-V197 HydrophobicContact CD1-CG2 3.84Å; I188-M200 HydrophobicContact CD1-CE 3.64Å; I188-M200 HydrophobicContact CG1-CE 3.5Å; I188-M200 VanDerWaalsContact CG1-CE 3.5Å
189D90.8Very high94Very high150 Ų15055 Ų5580%0.80231%0.312SS*.SBendtrans-88.481.1168.4-171.614.1000108.9
190G89.6Confident94.1Very high28 Ų2855.1 Ų55.129%0.28931%0.313SS..SBendtrans153-166.1-173.400000113.6N159 I188N159-G190 VanDerWaalsContact CB-O 3.26Å; N159-G190 WeakPolarHBondContact CB-O 3.3Å; I188-G190 PolarHBondContact O-N 2.99Å
191P91.1Very high94.3Very high90 Ų9049 Ų4958%0.58428%0.28SS*.  trans-66.5136.5178.228-33.7000110.4C193 N196P191-C193 PolarHBondContact O-N 2.9Å; P191-N196 PolarHBondContact O-ND2 3.25Å
192L92.5Very high94.6Very high14 Ų1447.7 Ų47.77%0.07327%0.267CS..  trans-72118.3168.5-17468.1000107.9V17 R27 L30 I188 V197V17-L192 HydrophobicContact CG1-CB 4.15Å; V17-L192 HydrophobicContact CG1-CD2 4.19Å; V17-L192 HydrophobicContact CG1-CG 3.98Å; V17-L192 WeakPolarHBondContact CG1-O 3.31Å; V17-L192 HydrophobicContact CG2-CD2 4.4Å; R27-L192 VanDerWaalsContact CZ-CD2 3.5Å; L30-L192 HydrophobicContact CD1-CD1 4.28Å; L30-L192 HydrophobicContact CD1-CD2 4.38Å; L30-L192 HydrophobicContact CD1-CG 3.89Å; I188-L192 HydrophobicContact CD1-CD1 3.65Å; L192-V197 HydrophobicContact CD1-CG2 3.96Å
193C92.2Very high94.9Very high22 Ų2250 Ų5015%0.14928%0.276CS..  trans-158.6165.8179.465.30000110E23 P191 K195 N196 V197E23-C193 WeakPolarHBondContact OE1-CB 3.39Å; P191-C193 PolarHBondContact O-N 2.9Å; C193-K195 VanDerWaalsContact C-N 3.31Å; C193-K195 PolarHBondContact O-N 3.18Å; C193-N196 PolarHBondContact O-N 2.9Å; C193-V197 WeakPolarHBondContact O-CG2 3.15Å; C193-V197 PolarHBondContact O-N 3.45Å; C193-V197 VanDerWaalsContact O-N 3.08Å
194L92.8Very high95Very high38 Ų3849 Ų4920%0.19926%0.264CS..Hα-helixtrans-53.6-45.9-178.2179.761.3000112.9L30 H33 N196 V197 Q198L30-L194 HydrophobicContact CD2-CB 4.01Å; L30-L194 HydrophobicContact CD2-CD1 4.22Å; H33-L194 HydrophobicContact CB-CD1 3.58Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 3.37Å; L194-V197 PolarHBondContact O-N 2.95Å; L194-Q198 HydrophobicContact CD1-CG 4.24Å; L194-Q198 HydrophobicContact CG-CG 4.48Å; L194-Q198 WeakPolarHBondContact O-CG 3.37Å; L194-Q198 PolarHBondContact O-N 2.93Å
195K94.2Very high95Very high158 Ų15845.2 Ų45.269%0.68725%0.247SC*.Hα-helixtrans-57.6-45-179.7180-175.4176.4-176.20112.4C193 Q198 S199C193-K195 VanDerWaalsContact C-N 3.31Å; C193-K195 PolarHBondContact O-N 3.18Å; K195-Q198 PolarHBondContact O-N 3.05Å; K195-S199 PolarHBondContact O-N 3.02Å
196N95Very high94.8Very high44 Ų4449.3 Ų49.324%0.23527%0.269CS..Hα-helixtrans-74.1-32.7-177.1-73.8-11000111.5I188 P191 C193 L194 S199 M200I188-N196 HydrophobicContact CD1-CB 3.82Å; I188-N196 HydrophobicContact CG1-CB 4.05Å; I188-N196 HydrophobicContact CG2-CB 3.85Å; P191-N196 PolarHBondContact O-ND2 3.25Å; C193-N196 PolarHBondContact O-N 2.9Å; L194-N196 VanDerWaalsContact C-N 3.34Å; L194-N196 PolarHBondContact O-N 3.37Å; N196-S199 PolarHBondContact O-N 3.14Å; N196-M200 WeakPolarHBondContact O-CB 3.38Å; N196-M200 PolarHBondContact O-N 3.5Å
197V95.7Very high94.5Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-67.4-43.3172.4173.30000111.2L30 M157 I188 L192 C193 L194 S199 M200 F201L30-V197 HydrophobicContact CB-CG2 4.18Å; L30-V197 HydrophobicContact CD1-CG2 3.99Å; M157-V197 HydrophobicContact CE-CG1 4.1Å; M157-V197 HydrophobicContact CE-CG2 3.99Å; I188-V197 HydrophobicContact CD1-CG2 3.84Å; L192-V197 HydrophobicContact CD1-CG2 3.96Å; C193-V197 WeakPolarHBondContact O-CG2 3.15Å; C193-V197 PolarHBondContact O-N 3.45Å; C193-V197 VanDerWaalsContact O-N 3.08Å; L194-V197 PolarHBondContact O-N 2.95Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 2.86Å; V197-M200 WeakPolarHBondContact O-CA 3.36Å; V197-M200 VanDerWaalsContact O-CB 3.28Å; V197-M200 WeakPolarHBondContact O-CB 3.36Å; V197-M200 PolarHBondContact O-N 3.39Å; V197-M200 VanDerWaalsContact O-N 3.07Å; V197-F201 HydrophobicContact CG1-CD2 3.87Å; V197-F201 HydrophobicContact CG1-CE2 3.97Å; V197-F201 WeakPolarHBondContact O-CD2 3.06Å; V197-F201 PolarHBondContact O-N 3.49Å
198Q95.2Very high94.3Very high87 Ų8750.7 Ų50.741%0.40728%0.276SS..Hα-helixtrans-58.8-43.4172.8-73.4174-31.700111.6M37 L194 K195 M200 F201 G202M37-Q198 HydrophobicContact SD-CB 3.96Å; M37-Q198 HydrophobicContact SD-CG 4.18Å; M37-Q198 VanDerWaalsContact SD-O 3.41Å; L194-Q198 HydrophobicContact CD1-CG 4.24Å; L194-Q198 HydrophobicContact CG-CG 4.48Å; L194-Q198 WeakPolarHBondContact O-CG 3.37Å; L194-Q198 PolarHBondContact O-N 2.93Å; K195-Q198 PolarHBondContact O-N 3.05Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 3.03Å; Q198-F201 PolarHBondContact O-N 2.8Å; Q198-G202 PolarHBondContact O-N 2.75Å
199S97Very high94.3Very high63 Ų6350.2 Ų50.244%0.44127%0.273SS..Hα-helixtrans-62.2-37.4174.1-177.60000112.4K195 N196 V197 G202 K203K195-S199 PolarHBondContact O-N 3.02Å; N196-S199 PolarHBondContact O-N 3.14Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 2.86Å; S199-G202 PolarHBondContact O-N 2.88Å; S199-K203 WeakPolarHBondContact O-CG 3.19Å; S199-K203 PolarHBondContact O-N 3Å; S199-K203 VanDerWaalsContact O-N 3.1Å
200M97.4Very high94.3Very high6 Ų645.4 Ų45.43%0.0325%0.249CC..Hα-helixtrans-62.3-50.4176.2-171.2-162.6-7500111.7M155 C156 F186 I188 N196 V197 Q198 K203 L204M155-M200 HydrophobicContact CB-SD 4.17Å; M155-M200 HydrophobicContact CE-CG 3.69Å; M155-M200 HydrophobicContact CE-SD 3.77Å; C156-M200 WeakPolarHBondContact O-CE 3.46Å; F186-M200 HydrophobicContact CB-CG 3.48Å; F186-M200 VanDerWaalsContact CB-CG 3.48Å; F186-M200 HydrophobicContact CB-SD 3.67Å; F186-M200 HydrophobicContact CD1-CG 4.33Å; F186-M200 HydrophobicContact CG-CG 4.28Å; F186-M200 VanDerWaalsContact O-CE 3.31Å; F186-M200 WeakPolarHBondContact O-CE 3.38Å; I188-M200 HydrophobicContact CD1-CE 3.64Å; I188-M200 HydrophobicContact CG1-CE 3.5Å; I188-M200 VanDerWaalsContact CG1-CE 3.5Å; N196-M200 WeakPolarHBondContact O-CB 3.38Å; N196-M200 PolarHBondContact O-N 3.5Å; V197-M200 WeakPolarHBondContact O-CA 3.36Å; V197-M200 VanDerWaalsContact O-CB 3.28Å; V197-M200 WeakPolarHBondContact O-CB 3.36Å; V197-M200 PolarHBondContact O-N 3.39Å; V197-M200 VanDerWaalsContact O-N 3.07Å; Q198-M200 VanDerWaalsContact C-N 3.3Å; Q198-M200 PolarHBondContact O-N 3.03Å; M200-K203 WeakPolarHBondContact O-CB 2.9Å; M200-K203 PolarHBondContact O-N 3.3Å; M200-L204 PolarHBondContact O-N 2.86Å
201F98.1Very high94.4Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-69.1-32.4178.1-83.7-95.3000112.4G34 L35 M37 L38 V114 M155 V197 Q198 K203 L204 I205G34-F201 VanDerWaalsContact CA-CD2 3.48Å; G34-F201 WeakPolarHBondContact O-CD1 3.39Å; G34-F201 WeakPolarHBondContact O-CG 3.45Å; L35-F201 HydrophobicContact CD2-CE1 3.95Å; L35-F201 HydrophobicContact CD2-CZ 4.42Å; L35-F201 HydrophobicContact CG-CE1 4.27Å; L35-F201 HydrophobicContact CG-CZ 4.36Å; M37-F201 HydrophobicContact SD-CB 4.26Å; L38-F201 HydrophobicContact CB-CD1 4.18Å; V114-F201 HydrophobicContact CG1-CZ 4.46Å; V114-F201 HydrophobicContact CG2-CZ 4.14Å; M155-F201 HydrophobicContact CB-CE2 4.2Å; M155-F201 HydrophobicContact CB-CZ 3.96Å; M155-F201 HydrophobicContact CE-CD1 4.05Å; M155-F201 HydrophobicContact CE-CD2 3.93Å; M155-F201 HydrophobicContact CE-CE1 4.17Å; M155-F201 HydrophobicContact CE-CE2 4.06Å; M155-F201 HydrophobicContact CE-CG 3.95Å; M155-F201 HydrophobicContact CE-CZ 4.19Å; M155-F201 HydrophobicContact CG-CE1 4.13Å; M155-F201 HydrophobicContact CG-CE2 4.42Å; M155-F201 HydrophobicContact CG-CZ 3.89Å; V197-F201 HydrophobicContact CG1-CD2 3.87Å; V197-F201 HydrophobicContact CG1-CE2 3.97Å; V197-F201 WeakPolarHBondContact O-CD2 3.06Å; V197-F201 PolarHBondContact O-N 3.49Å; Q198-F201 PolarHBondContact O-N 2.8Å; F201-K203 VanDerWaalsContact C-N 3.33Å; F201-K203 PolarHBondContact O-N 3.19Å; F201-L204 HydrophobicContact CD1-CD2 4.33Å; F201-L204 WeakPolarHBondContact O-CB 3.35Å; F201-L204 PolarHBondContact O-N 3.49Å; F201-L204 VanDerWaalsContact O-N 3.16Å; F201-I205 WeakPolarHBondContact O-CG1 3.36Å; F201-I205 PolarHBondContact O-N 3.44Å
202G97.4Very high94.5Very high14 Ų1441.8 Ų41.814%0.14422%0.219CC..Hα-helixtrans-57.3-44.3169.500000112.4Q198 S199 L204 I205 D206Q198-G202 PolarHBondContact O-N 2.75Å; S199-G202 PolarHBondContact O-N 2.88Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3Å; G202-I205 WeakPolarHBondContact O-CB 3.29Å; G202-I205 PolarHBondContact O-N 3.05Å; G202-D206 VanDerWaalsContact O-CG 3.3Å; G202-D206 PolarHBondContact O-N 3.28Å
203K97.4Very high94.6Very high127 Ų12744.3 Ų44.355%0.55223%0.23SC*.Hα-helixtrans-63.3-36.8174.7-68172.8-175.1179.40112.8F186 S199 M200 F201 L207F186-K203 HydrophobicContact CD1-CB 4.25Å; F186-K203 HydrophobicContact CE1-CB 3.85Å; S199-K203 WeakPolarHBondContact O-CG 3.19Å; S199-K203 PolarHBondContact O-N 3Å; S199-K203 VanDerWaalsContact O-N 3.1Å; M200-K203 WeakPolarHBondContact O-CB 2.9Å; M200-K203 PolarHBondContact O-N 3.3Å; F201-K203 VanDerWaalsContact C-N 3.33Å; F201-K203 PolarHBondContact O-N 3.19Å; K203-L207 VanDerWaalsContact O-CB 3.29Å; K203-L207 WeakPolarHBondContact O-CB 3.39Å; K203-L207 PolarHBondContact O-N 3.22Å; K203-L207 VanDerWaalsContact O-N 3.09Å
204L96.9Very high94.8Very high0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-63.6-44.8173.6172.566.2000110.8L38 V112 Y153 M155 F186 M200 F201 G202 L207 A208 Y209L38-L204 HydrophobicContact CD2-CD2 4.29Å; V112-L204 HydrophobicContact CG1-CD2 3.95Å; V112-L204 HydrophobicContact CG2-CD2 4.23Å; Y153-L204 HydrophobicContact CD1-CD1 4.07Å; Y153-L204 HydrophobicContact CD2-CD1 3.62Å; Y153-L204 HydrophobicContact CE2-CD1 4.16Å; Y153-L204 HydrophobicContact CG-CD1 3.55Å; M155-L204 HydrophobicContact CE-CB 3.88Å; M155-L204 HydrophobicContact CE-CD2 3.96Å; M155-L204 HydrophobicContact CG-CD2 4.5Å; M155-L204 HydrophobicContact SD-CB 4.36Å; M155-L204 HydrophobicContact SD-CD2 3.85Å; M155-L204 HydrophobicContact SD-CG 4.5Å; F186-L204 HydrophobicContact CE1-CB 4.37Å; F186-L204 HydrophobicContact CE2-CB 4.48Å; F186-L204 HydrophobicContact CE2-CD1 4.05Å; F186-L204 HydrophobicContact CZ-CB 4.15Å; F186-L204 HydrophobicContact CZ-CD1 4.18Å; M200-L204 PolarHBondContact O-N 2.86Å; F201-L204 HydrophobicContact CD1-CD2 4.33Å; F201-L204 WeakPolarHBondContact O-CB 3.35Å; F201-L204 PolarHBondContact O-N 3.49Å; F201-L204 VanDerWaalsContact O-N 3.16Å; G202-L204 VanDerWaalsContact C-N 3.33Å; G202-L204 PolarHBondContact O-N 3Å; L204-L207 PolarHBondContact O-N 3.39Å; L204-A208 HydrophobicContact CD1-CB 4.2Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3Å; L204-Y209 HydrophobicContact CD1-CE2 4.3Å; L204-Y209 HydrophobicContact CD2-CE2 4.29Å; L204-Y209 HydrophobicContact CG-CD2 4.34Å; L204-Y209 HydrophobicContact CG-CE2 4.06Å
205I96.4Very high95Very high9 Ų943.3 Ų43.35%0.04623%0.225CC..Hα-helixtrans-58.2-50177.6-73.3163.2000110.8M37 L38 H41 F201 G202 L207 A208 Y209 T210M37-I205 HydrophobicContact CE-CD1 4.2Å; M37-I205 HydrophobicContact CG-CD1 4.3Å; L38-I205 HydrophobicContact CD1-CG1 3.85Å; H41-I205 HydrophobicContact CB-CD1 3.86Å; H41-I205 HydrophobicContact CB-CG1 4.38Å; H41-I205 VanDerWaalsContact CE1-CG2 3.42Å; H41-I205 WeakPolarHBondContact CE1-CG2 3.39Å; H41-I205 WeakPolarHBondContact NE2-CG2 3.37Å; F201-I205 WeakPolarHBondContact O-CG1 3.36Å; F201-I205 PolarHBondContact O-N 3.44Å; G202-I205 WeakPolarHBondContact O-CB 3.29Å; G202-I205 PolarHBondContact O-N 3.05Å; I205-L207 PolarHBondContact O-N 3.29Å; I205-A208 PolarHBondContact O-N 3.32Å; I205-Y209 CarbonylContact O-C 3.53Å; I205-Y209 VanDerWaalsContact O-C 3.31Å; I205-Y209 WeakPolarHBondContact O-CA 3.49Å; I205-Y209 PolarHBondContact O-N 3.48Å; I205-T210 PolarHBondContact O-N 2.67Å; I205-T210 VanDerWaalsContact O-N 3.15Å; I205-T210 PolarHBondContact O-OG1 2.91Å
206D93.4Very high95.2Very high116 Ų11635.8 Ų35.862%0.6219%0.193SC*.Hα-helixtrans-62.8-32179.4-66.6-24.5000112.7G202 T210G202-D206 VanDerWaalsContact O-CG 3.3Å; G202-D206 PolarHBondContact O-N 3.28Å; D206-T210 WeakPolarHBondContact CA-OG1 3.42Å; D206-T210 PolarHBondContact O-OG1 3.09Å
207L91.8Very high95.4Very high81 Ų8135.8 Ų35.842%0.42419%0.19SC..Hα-helixtrans-77.5-47.8-179.9-178.965.3000112.1Y153 Q184 F186 K203 L204 I205Y153-L207 HydrophobicContact CD1-CD2 4.4Å; Y153-L207 HydrophobicContact CE1-CD2 3.68Å; Q184-L207 VanDerWaalsContact OE1-CD2 3.24Å; F186-L207 HydrophobicContact CZ-CD2 3.84Å; K203-L207 VanDerWaalsContact O-CB 3.29Å; K203-L207 WeakPolarHBondContact O-CB 3.39Å; K203-L207 PolarHBondContact O-N 3.22Å; K203-L207 VanDerWaalsContact O-N 3.09Å; L204-L207 PolarHBondContact O-N 3.39Å; I205-L207 PolarHBondContact O-N 3.29Å
208A91.3Very high95.5Very high7 Ų737.2 Ų37.26%0.05820%0.2CC..Hα-helixtrans-117.9-20.8-160.400000114.5Q110 Y153 L204 I205Q110-A208 PolarHBondContact NE2-O 2.89Å; Y153-A208 HydrophobicContact CD2-CB 4.47Å; Y153-A208 HydrophobicContact CE2-CB 3.6Å; L204-A208 HydrophobicContact CD1-CB 4.2Å; L204-A208 WeakPolarHBondContact O-CB 3.3Å; L204-A208 PolarHBondContact O-N 3Å; I205-A208 PolarHBondContact O-N 3.32Å
209Y93.6Very high95.5Very high0 Ų035.7 Ų35.70%021%0.208CC..  trans-126.818.8-170.8-58.1-72.5000113.7T3 L38 H41 M42 Y46 Q110 V112 L204 I205T3-Y209 WeakPolarHBondContact CG2-OH 3.09Å; T3-Y209 WeakPolarHBondContact OG1-CE1 3.42Å; T3-Y209 PolarHBondContact OG1-OH 2.96Å; L38-Y209 HydrophobicContact CD1-CD2 3.66Å; L38-Y209 HydrophobicContact CD1-CE2 3.77Å; L38-Y209 HydrophobicContact CD1-CG 4.3Å; H41-Y209 PolarHBondContact NE2-O 3.32Å; M42-Y209 HydrophobicContact CE-CD1 4.01Å; M42-Y209 HydrophobicContact CE-CE1 3.72Å; Y46-Y209 HydrophobicContact CD1-CD1 4.01Å; Y46-Y209 HydrophobicContact CE1-CD1 4.21Å; Q110-Y209 VanDerWaalsContact OE1-CE1 3.25Å; Q110-Y209 PolarHBondContact OE1-OH 3.44Å; Q110-Y209 VanDerWaalsContact OE1-OH 3.06Å; V112-Y209 WeakPolarHBondContact CG2-OH 3.42Å; L204-Y209 HydrophobicContact CD1-CE2 4.3Å; L204-Y209 HydrophobicContact CD2-CE2 4.29Å; L204-Y209 HydrophobicContact CG-CD2 4.34Å; L204-Y209 HydrophobicContact CG-CE2 4.06Å; I205-Y209 CarbonylContact O-C 3.53Å; I205-Y209 VanDerWaalsContact O-C 3.31Å; I205-Y209 WeakPolarHBondContact O-CA 3.49Å; I205-Y209 PolarHBondContact O-N 3.48Å
210T91.8Very high95.5Very high49 Ų4941.9 Ų41.930%0.30123%0.229SC..  trans-75.7124.6168.6-49.90000110.1I205 D206I205-T210 PolarHBondContact O-N 2.67Å; I205-T210 VanDerWaalsContact O-N 3.15Å; I205-T210 PolarHBondContact O-OG1 2.91Å; D206-T210 WeakPolarHBondContact CA-OG1 3.42Å; D206-T210 PolarHBondContact O-OG1 3.09Å
211P91.1Very high95.5Very high20 Ų2045.9 Ų45.913%0.1325%0.25CS..  trans-62.4144.9176.229-36.1000111.3Q226P211-Q226 HydrophobicContact CB-CG 4.27Å
212F93.6Very high95.5Very high22 Ų2249.7 Ų49.710%0.09627%0.274CS..EExtended strand (participates in β ladder)trans-91.5110.6175.1-174.6-93000109.7A214 Q226 V227 R230 I247F212-A214 HydrophobicContact CD1-CB 4.32Å; F212-A214 HydrophobicContact CE1-CB 3.86Å; F212-Q226 WeakPolarHBondContact O-CA 3.49Å; F212-V227 HydrophobicContact CD1-CB 3.79Å; F212-V227 HydrophobicContact CD1-CG2 3.89Å; F212-V227 HydrophobicContact CE1-CG2 4.28Å; F212-V227 PolarHBondContact O-N 3.08Å; F212-R230 HydrophobicContact CB-CB 4.32Å; F212-R230 HydrophobicContact CB-CG 4.07Å; F212-I247 HydrophobicContact CD1-CD1 4.47Å; F212-I247 HydrophobicContact CE1-CD1 3.67Å; F212-I247 HydrophobicContact CE1-CG1 3.96Å; F212-I247 HydrophobicContact CZ-CD1 3.97Å; F212-I247 HydrophobicContact CZ-CG1 3.7Å
213H94.3Very high95.4Very high68 Ų6849.4 Ų49.432%0.31527%0.27SS..EExtended strand (participates in β ladder)trans-94.8139.7175.4-61.8163.6000110.7V225 I276H213-V225 WeakPolarHBondContact CA-O 3.49Å; H213-I276 HydrophobicContact CB-CD1 4.33Å
214A96.1Very high95.3Very high4 Ų446.3 Ų46.33%0.03326%0.259CS..EExtended strand (participates in β ladder)trans-147.1166.6-178.800000110.4F212 V225 V227 T249 L251F212-A214 HydrophobicContact CD1-CB 4.32Å; F212-A214 HydrophobicContact CE1-CB 3.86Å; A214-V225 HydrophobicContact CB-CG2 4.01Å; A214-V225 PolarHBondContact N-O 3.34Å; A214-V225 WeakPolarHBondContact O-CG2 3.41Å; A214-V225 PolarHBondContact O-N 3.15Å; A214-V225 VanDerWaalsContact O-O 3.13Å; A214-V227 HydrophobicContact CB-CG2 4.31Å; A214-T249 CarbonylContact C-O 3.54Å; A214-T249 VanDerWaalsContact CA-O 3.32Å; A214-T249 WeakPolarHBondContact CA-O 3.21Å; A214-T249 VanDerWaalsContact CB-O 3.25Å; A214-T249 WeakPolarHBondContact CB-O 3.48Å; A214-L251 HydrophobicContact CB-CD1 3.83Å; A214-L251 HydrophobicContact CB-CG 4.05Å
215V97.6Very high95.2Very high35 Ų3546.3 Ų46.321%0.21226%0.259CS..EExtended strand (participates in β ladder)trans-111.7114.7173.1-172.50000108K217 T249 L251V215-K217 HydrophobicContact CB-CD 4.42Å; V215-K217 HydrophobicContact CB-CG 4.41Å; V215-K217 HydrophobicContact CG1-CD 4Å; V215-K217 HydrophobicContact CG1-CG 3.73Å; V215-T249 PolarHBondContact N-O 2.72Å; V215-L251 PolarHBondContact O-N 3.24Å
216L98.3Very high95.2Very high0 Ų047.3 Ų47.30%026%0.264CS..EExtended strand (participates in β ladder)trans-83.2125.3174.2178.161.3000109.9T222 A223 V225 L251 I253 V273 F309 L313 L336 L348L216-T222 CarbonylContact O-C 3.56Å; L216-T222 VanDerWaalsContact O-CA 3.27Å; L216-T222 WeakPolarHBondContact O-CA 3.36Å; L216-A223 PolarHBondContact N-O 2.98Å; L216-A223 PolarHBondContact O-N 2.98Å; L216-V225 HydrophobicContact CB-CG1 3.85Å; L216-V225 HydrophobicContact CB-CG2 4.01Å; L216-V225 HydrophobicContact CD2-CG1 4.5Å; L216-L251 HydrophobicContact CD1-CB 4.15Å; L216-I253 HydrophobicContact CD1-CD1 3.93Å; L216-I253 HydrophobicContact CD1-CG1 4.17Å; L216-V273 HydrophobicContact CD2-CG1 4.42Å; L216-F309 HydrophobicContact CD2-CD1 4.34Å; L216-F309 HydrophobicContact CD2-CE1 4.23Å; L216-F309 HydrophobicContact CG-CD1 4.3Å; L216-F309 HydrophobicContact CG-CE1 4.06Å; L216-L313 HydrophobicContact CD2-CD2 3.83Å; L216-L336 HydrophobicContact CD1-CD1 3.48Å; L216-L336 VanDerWaalsContact CD1-CD1 3.48Å; L216-L336 HydrophobicContact CD2-CD1 4.27Å; L216-L348 HydrophobicContact CD2-CD2 4.06Å
217K98.2Very high95.3Very high43 Ų4341.8 Ų41.819%0.18724%0.235CC..EExtended strand (participates in β ladder)trans-131.6137.7-171-57.4171.375.5-166.60111V215 L221 T222 D250 L251 E252 I253V215-K217 HydrophobicContact CB-CD 4.42Å; V215-K217 HydrophobicContact CB-CG 4.41Å; V215-K217 HydrophobicContact CG1-CD 4Å; V215-K217 HydrophobicContact CG1-CG 3.73Å; K217-L221 CarbonylContact C-O 3.59Å; K217-L221 WeakPolarHBondContact CA-O 3.31Å; K217-T222 HydrophobicContact CB-CG2 4.41Å; K217-T222 HydrophobicContact CG-CG2 3.9Å; K217-D250 HydrophobicContact CD-CB 4.21Å; K217-D250 IonicContact NZ-OD2 2.88Å; K217-D250 PolarHBondContact NZ-OD2 3.05Å; K217-L251 PolarHBondContact N-O 3.48Å; K217-E252 VanDerWaalsContact CB-OE2 3.3Å; K217-E252 WeakPolarHBondContact CB-OE2 3.36Å; K217-E252 WeakPolarHBondContact CD-OE1 3.08Å; K217-E252 WeakPolarHBondContact CE-OE1 3.26Å; K217-E252 IonicContact NZ-OE1 2.7Å; K217-E252 PolarHBondContact NZ-OE1 3.15Å; K217-I253 WeakPolarHBondContact O-CB 3.38Å; K217-I253 PolarHBondContact O-N 3.48Å
218C98.2Very high95.3Very high31 Ų3138.5 Ų38.521%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-136.187.8168.7-178.90000107.6H220 L221 I253 F309C218-H220 PolarHBondContact O-N 3.37Å; C218-H220 VanDerWaalsContact O-N 3.15Å; C218-L221 HydrophobicContact CB-CB 4.48Å; C218-L221 PolarHBondContact N-O 3.22Å; C218-L221 PolarHBondContact O-N 3.27Å; C218-L221 VanDerWaalsContact O-N 3.14Å; C218-I253 HydrophobicContact CB-CB 4.1Å; C218-I253 HydrophobicContact CB-CD1 3.96Å; C218-F309 HydrophobicContact CB-CE1 3.84Å; C218-F309 HydrophobicContact CB-CE2 4.29Å; C218-F309 HydrophobicContact CB-CZ 3.39Å
219G96.3Very high95.4Very high55 Ų5539.3 Ų39.357%0.56722%0.221SC*.THydrogen-bonded Turntrans61.9-113.6-168.600000110.9
220H96.9Very high95.3Very high193 Ų19344.1 Ų44.189%0.89424%0.24SC*.THydrogen-bonded Turntrans-92.4-9.2179.2-59.5-61.1000114.1C218C218-H220 PolarHBondContact O-N 3.37Å; C218-H220 VanDerWaalsContact O-N 3.15Å
221L97.5Very high95.2Very high90 Ų9042.3 Ų42.347%0.47123%0.228SC..EExtended strand (participates in β ladder)trans-79.7123.9174.9-60.6177.7000108.6K217 C218 F309K217-L221 CarbonylContact C-O 3.59Å; K217-L221 WeakPolarHBondContact CA-O 3.31Å; C218-L221 HydrophobicContact CB-CB 4.48Å; C218-L221 PolarHBondContact N-O 3.22Å; C218-L221 PolarHBondContact O-N 3.27Å; C218-L221 VanDerWaalsContact O-N 3.14Å; L221-F309 HydrophobicContact CB-CD1 4.36Å; L221-F309 HydrophobicContact CB-CD2 3.74Å; L221-F309 HydrophobicContact CB-CE1 4.42Å; L221-F309 HydrophobicContact CB-CE2 3.83Å; L221-F309 HydrophobicContact CB-CG 4.04Å; L221-F309 HydrophobicContact CB-CZ 4.19Å; L221-F309 HydrophobicContact CD1-CD2 3.96Å; L221-F309 HydrophobicContact CD1-CE2 3.7Å; L221-F309 HydrophobicContact CG-CD2 4.41Å; L221-F309 HydrophobicContact CG-CE2 4.42Å
222T96.6Very high94.9Very high80 Ų8045.6 Ų45.649%0.49124%0.242SC..EExtended strand (participates in β ladder)trans-135.7150.2-17559.80000111.2L216 K217L216-T222 CarbonylContact O-C 3.56Å; L216-T222 VanDerWaalsContact O-CA 3.27Å; L216-T222 WeakPolarHBondContact O-CA 3.36Å; K217-T222 HydrophobicContact CB-CG2 4.41Å; K217-T222 HydrophobicContact CG-CG2 3.9Å
223A95.6Very high94.5Very high8 Ų848.1 Ų48.17%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-149.5138.4167.200000109.8L216 V225 F309L216-A223 PolarHBondContact N-O 2.98Å; L216-A223 PolarHBondContact O-N 2.98Å; A223-V225 HydrophobicContact CB-CG1 4.37Å; A223-F309 HydrophobicContact CB-CB 3.98Å
224D95.7Very high94Very high61 Ų6147 Ų4733%0.32626%0.255SS..EExtended strand (participates in β ladder)trans-71.8131.6167-57.9-58000109P275 I276 L278D224-P275 WeakPolarHBondContact O-CA 3.38Å; D224-I276 HydrophobicContact CB-CD1 4.18Å; D224-I276 HydrophobicContact CB-CG1 3.69Å; D224-I276 PolarHBondContact O-N 3.18Å; D224-L278 HydrophobicContact CB-CD1 3.69Å; D224-L278 HydrophobicContact CB-CG 4.07Å; D224-L278 VanDerWaalsContact CG-CD1 3.49Å
225V95.8Very high93.2Very high0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-135.6151.2-173.6-61.20000112.6H213 A214 L216 A223 L251 V273 L274 C310H213-V225 WeakPolarHBondContact CA-O 3.49Å; A214-V225 HydrophobicContact CB-CG2 4.01Å; A214-V225 PolarHBondContact N-O 3.34Å; A214-V225 WeakPolarHBondContact O-CG2 3.41Å; A214-V225 PolarHBondContact O-N 3.15Å; A214-V225 VanDerWaalsContact O-O 3.13Å; L216-V225 HydrophobicContact CB-CG1 3.85Å; L216-V225 HydrophobicContact CB-CG2 4.01Å; L216-V225 HydrophobicContact CD2-CG1 4.5Å; A223-V225 HydrophobicContact CB-CG1 4.37Å; V225-L251 HydrophobicContact CG2-CD1 4.43Å; V225-V273 HydrophobicContact CB-CG1 3.78Å; V225-V273 HydrophobicContact CG1-CG1 3.85Å; V225-V273 HydrophobicContact CG2-CG1 3.92Å; V225-L274 CarbonylContact C-O 3.49Å; V225-L274 WeakPolarHBondContact CA-O 3.47Å; V225-L274 WeakPolarHBondContact CB-O 3.39Å; V225-C310 WeakPolarHBondContact CG1-SG 3.4Å
226Q95.1Very high91.9Very high30 Ų3049.5 Ų49.514%0.1427%0.27CS..EExtended strand (participates in β ladder)trans-99.6131.6163.7-174.6-172.237.200109.3N45 P211 F212 V273 L274 I276N45-Q226 PolarHBondContact O-NE2 3.45Å; P211-Q226 HydrophobicContact CB-CG 4.27Å; F212-Q226 WeakPolarHBondContact O-CA 3.49Å; Q226-V273 WeakPolarHBondContact O-CA 3.27Å; Q226-L274 PolarHBondContact N-O 3.44Å; Q226-L274 PolarHBondContact O-N 2.97Å; Q226-I276 HydrophobicContact CB-CG2 3.77Å
227V95.5Very high90.3Very high1 Ų157 Ų571%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-101.2117.5171.9-175.70000108.9F212 A214 P229 P231 L251 H271 L272 M350F212-V227 HydrophobicContact CD1-CB 3.79Å; F212-V227 HydrophobicContact CD1-CG2 3.89Å; F212-V227 HydrophobicContact CE1-CG2 4.28Å; F212-V227 PolarHBondContact O-N 3.08Å; A214-V227 HydrophobicContact CB-CG2 4.31Å; V227-P229 CarbonylContact O-C 3.5Å; V227-P231 HydrophobicContact CG1-CG 3.81Å; V227-L251 HydrophobicContact CG2-CD1 4.04Å; V227-H271 HydrophobicContact CG1-CB 3.42Å; V227-H271 VanDerWaalsContact CG1-CB 3.42Å; V227-L272 WeakPolarHBondContact CA-O 3.23Å; V227-M350 HydrophobicContact CB-CE 4.47Å; V227-M350 HydrophobicContact CG1-CE 3.57Å; V227-M350 HydrophobicContact CG2-CE 3.99Å
228F93.3Very high88.6Confident12 Ų1263.9 Ų63.95%0.05334%0.343CS..EExtended strand (participates in β ladder)trans-127.4130.8-172.9-176-83000112.9Y46 L48 E49 H271 L272Y46-F228 AromaticContact CD1-CE2 3.7Å; Y46-F228 HydrophobicContact CD1-CE2 3.7Å; Y46-F228 HydrophobicContact CD1-CZ 4.37Å; Y46-F228 HydrophobicContact CD2-CD2 4.31Å; Y46-F228 HydrophobicContact CD2-CE2 4Å; Y46-F228 HydrophobicContact CE1-CD2 4.36Å; Y46-F228 AromaticContact CE1-CE2 3.44Å; Y46-F228 HydrophobicContact CE1-CE2 3.44Å; Y46-F228 VanDerWaalsContact CE1-CE2 3.44Å; Y46-F228 HydrophobicContact CE1-CZ 4.06Å; Y46-F228 AromaticContact CE2-CD2 3.96Å; Y46-F228 HydrophobicContact CE2-CD2 3.96Å; Y46-F228 AromaticContact CE2-CE2 3.8Å; Y46-F228 HydrophobicContact CE2-CE2 3.8Å; Y46-F228 AromaticContact CG-CE2 3.94Å; Y46-F228 HydrophobicContact CG-CE2 3.94Å; Y46-F228 AromaticContact CZ-CD2 3.96Å; Y46-F228 AromaticContact CZ-CE2 3.5Å; Y46-F228 VanDerWaalsContact CZ-CE2 3.5Å; L48-F228 VanDerWaalsContact C-CZ 3.45Å; L48-F228 HydrophobicContact CB-CD1 3.66Å; L48-F228 HydrophobicContact CB-CD2 4.34Å; L48-F228 HydrophobicContact CB-CE1 3.44Å; L48-F228 VanDerWaalsContact CB-CE1 3.44Å; L48-F228 HydrophobicContact CB-CE2 4.12Å; L48-F228 HydrophobicContact CB-CG 4.14Å; L48-F228 HydrophobicContact CB-CZ 3.72Å; L48-F228 HydrophobicContact CD1-CD1 4.07Å; L48-F228 HydrophobicContact CD1-CG 4.28Å; E49-F228 HydrophobicContact CB-CE2 4.35Å; E49-F228 HydrophobicContact CB-CZ 3.91Å; E49-F228 VanDerWaalsContact N-CZ 3.25Å; E49-F228 WeakPolarHBondContact OE2-CZ 3.38Å; F228-H271 CarbonylContact O-C 3.51Å; F228-H271 WeakPolarHBondContact O-CA 3.36Å; F228-L272 PolarHBondContact N-O 2.98Å; F228-L272 PolarHBondContact O-N 2.92Å
229P92.1Very high86.9Confident23 Ų2366.2 Ų66.215%0.14935%0.351CS..SBendcis-66.6170.2-6.631.5-37.3000110.5M1 V227 P231 H271M1-P229 HydrophobicContact CB-CB 3.65Å; M1-P229 HydrophobicContact CB-CG 4.15Å; M1-P229 HydrophobicContact CE-CB 4.29Å; V227-P229 CarbonylContact O-C 3.5Å; P229-P231 WeakPolarHBondContact O-CD 3.22Å; P229-H271 PolarHBondContact O-ND1 3.2Å
230R91.3Very high85.4Confident102 Ų10271.8 Ų71.839%0.38537%0.365SS..PPolyproline II helixtrans-57.3127.9173.7177.5166.4-171.7169.70.8109.7Y46 F212 E232Y46-R230 PolarHBondContact OH-N 2.79Å; F212-R230 HydrophobicContact CB-CB 4.32Å; F212-R230 HydrophobicContact CB-CG 4.07Å; R230-E232 PolarHBondContact O-N 3.18Å
231P90.8Very high83.9Confident10 Ų1068.9 Ų68.97%0.06536%0.357CS..PPolyproline II helixtrans-61.4128.5173.1-25.737000111.2V227 P229 I247 L352V227-P231 HydrophobicContact CG1-CG 3.81Å; P229-P231 WeakPolarHBondContact O-CD 3.22Å; P231-I247 HydrophobicContact CB-CD1 4.22Å; P231-I247 HydrophobicContact CB-CG1 4.37Å; P231-I247 HydrophobicContact CG-CD1 3.66Å; P231-I247 HydrophobicContact CG-CG1 4.27Å; P231-L352 HydrophobicContact CB-CD1 4.17Å
232E84.8Confident82.4Confident89 Ų8967.8 Ų67.842%0.41636%0.355SS..PPolyproline II helixtrans-74142.8173.4-70.1-171.7162.900110.1R230 F234R230-E232 PolarHBondContact O-N 3.18Å; E232-F234 PolarHBondContact O-N 3.33Å
233P85.3Confident81.5Confident76 Ų7669.8 Ų69.849%0.49436%0.361SS..PPolyproline II helixtrans-57.8133171.3-21.732.8000110.6P244 K245 V246P233-P244 HydrophobicContact CB-CB 3.77Å; P233-K245 WeakPolarHBondContact CA-O 3.41Å; P233-V246 HydrophobicContact CB-CG2 4.1Å; P233-V246 HydrophobicContact CG-CG2 4.16Å
234F82.6Confident80.9Confident45 Ų4572.8 Ų72.820%0.19738%0.38CS..BIsolated β-bridgetrans-94.6131.5178.3-175.2-95.2000110.8E232 V236 K245 L268 W332 E354 P355E232-F234 PolarHBondContact O-N 3.33Å; F234-V236 HydrophobicContact CD1-CG2 4.13Å; F234-V236 HydrophobicContact CE1-CG2 3.78Å; F234-K245 PolarHBondContact N-O 3.39Å; F234-K245 PolarHBondContact O-N 3Å; F234-L268 HydrophobicContact CD2-CD1 3.61Å; F234-L268 HydrophobicContact CD2-CD2 4.07Å; F234-L268 HydrophobicContact CD2-CG 4.49Å; F234-L268 HydrophobicContact CE2-CD1 3.92Å; F234-L268 HydrophobicContact CE2-CD2 3.63Å; F234-L268 HydrophobicContact CE2-CG 4.45Å; F234-L268 HydrophobicContact CG-CD1 4.07Å; F234-L268 HydrophobicContact CZ-CD2 4.39Å; F234-W332 HydrophobicContact CB-CH2 4.15Å; F234-W332 HydrophobicContact CB-CZ2 4.33Å; F234-E354 WeakPolarHBondContact CZ-OE1 3.19Å; F234-P355 HydrophobicContact CD1-CG 3.51Å; F234-P355 HydrophobicContact CE1-CG 3.78Å; F234-P355 HydrophobicContact CG-CG 4.17Å
235V79.2Confident80.4Confident55 Ų5573.3 Ų73.333%0.33338%0.379SS..  trans-112129.6177170.90000109.2P242 P244V235-P242 HydrophobicContact CG1-CB 3.35Å; V235-P242 HydrophobicContact CG1-CG 4.21Å; V235-P244 HydrophobicContact CG2-CB 4.08Å; V235-P244 HydrophobicContact CG2-CG 4.1Å
236V70.4Confident80.2Confident36 Ų3677.5 Ų77.522%0.21841%0.405CS..  trans-88.9110.5174.8-177.60000108.3F234 E238 E239F234-V236 HydrophobicContact CD1-CG2 4.13Å; F234-V236 HydrophobicContact CE1-CG2 3.78Å; V236-E238 HydrophobicContact CG1-CB 4.36Å; V236-E238 PolarHBondContact O-N 2.95Å; V236-E238 VanDerWaalsContact O-N 3.08Å; V236-E239 HydrophobicContact CB-CG 4.45Å; V236-E239 PolarHBondContact O-N 2.89Å
237D64.8Low80.1Confident156 Ų15676.5 Ų76.583%0.83440%0.4SS*.THydrogen-bonded Turntrans-61.4-17.5-175.8-73-21.1000114.6E239D237-E239 VanDerWaalsContact C-N 3.35Å
238E62.3Low80.1Confident189 Ų18980.2 Ų80.288%0.88342%0.42SS*.THydrogen-bonded Turntrans-82.9-5.8-177.2-60.9-170.516800114.1V236V236-E238 HydrophobicContact CG1-CB 4.36Å; V236-E238 PolarHBondContact O-N 2.95Å; V236-E238 VanDerWaalsContact O-N 3.08Å
239E63.3Low80.2Confident80 Ų8083.1 Ų83.137%0.37444%0.439SS..  trans-88.3135.6-179.9-69-178.1178.700112V236 D237 D241V236-E239 HydrophobicContact CB-CG 4.45Å; V236-E239 PolarHBondContact O-N 2.89Å; D237-E239 VanDerWaalsContact C-N 3.35Å; E239-D241 PolarHBondContact O-N 3.46Å
240I64.4Low80.4Confident171 Ų17184.9 Ų84.988%0.87745%0.447SS*.SBendtrans-63.4-29.8179.4-63.5171.3000111.5
241D64.7Low80.7Confident133 Ų13380 Ų8071%0.71143%0.429SS*.SBendtrans-130.587.6171.6-74.6-43000108.2E239 I243E239-D241 PolarHBondContact O-N 3.46Å; D241-I243 PolarHBondContact O-N 3.33Å; D241-I243 VanDerWaalsContact O-N 3.15Å
242P66.9Low81.1Confident67 Ų6782.2 Ų82.244%0.43544%0.438SS..PPolyproline II helixtrans-64.2116.7-17418.8-27000111.5V235V235-P242 HydrophobicContact CG1-CB 3.35Å; V235-P242 HydrophobicContact CG1-CG 4.21Å
243I76.6Confident81.7Confident122 Ų12278.7 Ų78.763%0.62642%0.422SS*.PPolyproline II helixtrans-93.2119.4173.5-61.4169.2000108.5D241 K245D241-I243 PolarHBondContact O-N 3.33Å; D241-I243 VanDerWaalsContact O-N 3.15Å; I243-K245 PolarHBondContact O-N 3.15Å
244P83.6Confident82.3Confident71 Ų7179 Ų7946%0.46142%0.423SS..PPolyproline II helixtrans-62.1122.4177.1-19.430.7000111P233 V235P233-P244 HydrophobicContact CB-CB 3.77Å; V235-P244 HydrophobicContact CG2-CB 4.08Å; V235-P244 HydrophobicContact CG2-CG 4.1Å
245K86.6Confident83.1Confident71 Ų7178.2 Ų78.231%0.30943%0.427SS..BIsolated β-bridgetrans-86121.3174.9-63.2-175.5-177.4179.70109.2P233 F234 I243 W332 P355P233-K245 WeakPolarHBondContact CA-O 3.41Å; F234-K245 PolarHBondContact N-O 3.39Å; F234-K245 PolarHBondContact O-N 3Å; I243-K245 PolarHBondContact O-N 3.15Å; K245-W332 HydrophobicContact CB-CE3 4.16Å; K245-W332 HydrophobicContact CB-CH2 4.39Å; K245-W332 HydrophobicContact CB-CZ3 3.75Å; K245-P355 HydrophobicContact CD-CB 4.21Å; K245-P355 HydrophobicContact CD-CG 4.48Å
246V90.9Very high84Confident88 Ų8880 Ų8053%0.53343%0.43SS..  trans-107.3142.9173.2-174.90000108.3P233P233-V246 HydrophobicContact CB-CG2 4.1Å; P233-V246 HydrophobicContact CG-CG2 4.16Å
247I93.7Very high85.3Confident9 Ų978.8 Ų78.85%0.04642%0.422CS..  trans-65.7150.2176.368.5163000110.6F212 P231 L251 L328 W332 M350 L352F212-I247 HydrophobicContact CD1-CD1 4.47Å; F212-I247 HydrophobicContact CE1-CD1 3.67Å; F212-I247 HydrophobicContact CE1-CG1 3.96Å; F212-I247 HydrophobicContact CZ-CD1 3.97Å; F212-I247 HydrophobicContact CZ-CG1 3.7Å; P231-I247 HydrophobicContact CB-CD1 4.22Å; P231-I247 HydrophobicContact CB-CG1 4.37Å; P231-I247 HydrophobicContact CG-CD1 3.66Å; P231-I247 HydrophobicContact CG-CG1 4.27Å; I247-L251 HydrophobicContact CD1-CD2 4.25Å; I247-L328 CarbonylContact C-O 3.54Å; I247-L328 WeakPolarHBondContact CA-O 3.47Å; I247-L328 HydrophobicContact CB-CB 4.34Å; I247-L328 HydrophobicContact CB-CD2 4.44Å; I247-L328 HydrophobicContact CG2-CB 4.12Å; I247-L328 HydrophobicContact CG2-CD1 4.35Å; I247-L328 HydrophobicContact CG2-CD2 4.27Å; I247-L328 HydrophobicContact CG2-CG 4.48Å; I247-W332 HydrophobicContact CG2-CE3 4.36Å; I247-W332 HydrophobicContact CG2-CH2 3.64Å; I247-W332 HydrophobicContact CG2-CZ2 4.14Å; I247-W332 HydrophobicContact CG2-CZ3 3.75Å; I247-M350 HydrophobicContact CD1-CE 4.13Å; I247-L352 HydrophobicContact CG2-CD1 4.09Å
248N94.1Very high86.8Confident80 Ų8073.3 Ų73.343%0.42839%0.393SS..  trans-65.4148.8176.3-163.214.6000111.1D250 L251 L328N248-D250 PolarHBondContact ND2-O 2.88Å; N248-L251 VanDerWaalsContact O-CD2 3.32Å; N248-L251 WeakPolarHBondContact O-CD2 3.48Å; N248-L328 WeakPolarHBondContact CB-O 3.5Å; N248-L328 PolarHBondContact N-O 2.75Å
249T95.3Very high88.4Confident72 Ų7268.1 Ų68.144%0.44237%0.371SS..SBendtrans-74.9-31.8173.3-52.80000111.1A214 V215 L251A214-T249 CarbonylContact C-O 3.54Å; A214-T249 VanDerWaalsContact CA-O 3.32Å; A214-T249 WeakPolarHBondContact CA-O 3.21Å; A214-T249 VanDerWaalsContact CB-O 3.25Å; A214-T249 WeakPolarHBondContact CB-O 3.48Å; V215-T249 PolarHBondContact N-O 2.72Å; T249-L251 PolarHBondContact O-N 2.79Å
250D96.9Very high89.9Confident61 Ų6168.4 Ų68.433%0.32639%0.386SS..EExtended strand (participates in β ladder)trans-87.3102.7171.2-83.620.6000109.4K217 N248 E252K217-D250 HydrophobicContact CD-CB 4.21Å; K217-D250 IonicContact NZ-OD2 2.88Å; K217-D250 PolarHBondContact NZ-OD2 3.05Å; N248-D250 PolarHBondContact ND2-O 2.88Å; D250-E252 PolarHBondContact O-N 2.7Å
251L97.8Very high91.4Very high0 Ų061.1 Ų61.10%035%0.349CS..EExtended strand (participates in β ladder)trans-8885.9178.9-59.1178.8000109.3A214 V215 L216 K217 V225 V227 I247 N248 T249 V326 L328 M350A214-L251 HydrophobicContact CB-CD1 3.83Å; A214-L251 HydrophobicContact CB-CG 4.05Å; V215-L251 PolarHBondContact O-N 3.24Å; L216-L251 HydrophobicContact CD1-CB 4.15Å; K217-L251 PolarHBondContact N-O 3.48Å; V225-L251 HydrophobicContact CG2-CD1 4.43Å; V227-L251 HydrophobicContact CG2-CD1 4.04Å; I247-L251 HydrophobicContact CD1-CD2 4.25Å; N248-L251 VanDerWaalsContact O-CD2 3.32Å; N248-L251 WeakPolarHBondContact O-CD2 3.48Å; T249-L251 PolarHBondContact O-N 2.79Å; L251-V326 HydrophobicContact CB-CG1 3.92Å; L251-V326 HydrophobicContact CD2-CG1 4.34Å; L251-L328 HydrophobicContact CD2-CD2 4.21Å; L251-M350 HydrophobicContact CD1-CE 4.2Å; L251-M350 HydrophobicContact CD1-SD 4.2Å
252E98.3Very high92.9Very high56 Ų5655 Ų5526%0.26232%0.316SS..EExtended strand (participates in β ladder)trans-81.6119.5-178.7-66.6-73.9-179.800111.1K217 D250 V326 Q327K217-E252 VanDerWaalsContact CB-OE2 3.3Å; K217-E252 WeakPolarHBondContact CB-OE2 3.36Å; K217-E252 WeakPolarHBondContact CD-OE1 3.08Å; K217-E252 WeakPolarHBondContact CE-OE1 3.26Å; K217-E252 IonicContact NZ-OE1 2.7Å; K217-E252 PolarHBondContact NZ-OE1 3.15Å; D250-E252 PolarHBondContact O-N 2.7Å; E252-V326 CarbonylContact O-C 3.57Å; E252-V326 WeakPolarHBondContact O-CA 3.46Å; E252-Q327 PolarHBondContact O-N 2.75Å
253I98.7Very high94.2Very high15 Ų1555.2 Ų55.28%0.07732%0.32CS..EExtended strand (participates in β ladder)trans-76.3123.3169.4-67.9164.6000108.7L216 K217 C218 F256 F309 L313 A324 I325 V326 L336L216-I253 HydrophobicContact CD1-CD1 3.93Å; L216-I253 HydrophobicContact CD1-CG1 4.17Å; K217-I253 WeakPolarHBondContact O-CB 3.38Å; K217-I253 PolarHBondContact O-N 3.48Å; C218-I253 HydrophobicContact CB-CB 4.1Å; C218-I253 HydrophobicContact CB-CD1 3.96Å; I253-F256 HydrophobicContact CG2-CE1 4.42Å; I253-F256 HydrophobicContact CG2-CE2 4.22Å; I253-F256 HydrophobicContact CG2-CZ 3.96Å; I253-F309 HydrophobicContact CD1-CE1 4.19Å; I253-F309 HydrophobicContact CD1-CZ 4.18Å; I253-L313 HydrophobicContact CD1-CD1 4.33Å; I253-L313 HydrophobicContact CD1-CD2 3.68Å; I253-A324 HydrophobicContact CD1-CB 4.23Å; I253-A324 HydrophobicContact CG1-CB 4.27Å; I253-A324 HydrophobicContact CG2-CB 3.94Å; I253-I325 CarbonylContact C-O 3.56Å; I253-I325 VanDerWaalsContact CA-O 3.32Å; I253-I325 WeakPolarHBondContact CA-O 3.29Å; I253-V326 HydrophobicContact CG1-CG2 4Å; I253-L336 HydrophobicContact CD1-CD1 3.99Å; I253-L336 HydrophobicContact CG1-CD1 4.09Å
254V97.9Very high95Very high83 Ų8354.6 Ų54.650%0.50333%0.326SS..EExtended strand (participates in β ladder)trans-108.1-8.4-175.6-62.40000113.6I325 Q327V254-I325 HydrophobicContact CG2-CB 4.02Å; V254-I325 HydrophobicContact CG2-CG2 3.63Å; V254-I325 PolarHBondContact N-O 3.28Å; V254-Q327 HydrophobicContact CG1-CB 4.06Å
255G98Very high95.5Very high27 Ų2751.9 Ų51.928%0.27831%0.308SS..EExtended strand (participates in β ladder)trans172.4178.3177.700000113.2A324 I325G255-A324 CarbonylContact O-C 3.31Å; G255-A324 WeakPolarHBondContact O-CA 3.3Å; G255-I325 PolarHBondContact O-N 3.13Å
256F98.4Very high95.8Very high93 Ų9352.9 Ų52.941%0.40832%0.322SS..EExtended strand (participates in β ladder)trans-128.7144.8178.4-59.4-92000109.7I253 L313 L317 M322 V323 A324I253-F256 HydrophobicContact CG2-CE1 4.42Å; I253-F256 HydrophobicContact CG2-CE2 4.22Å; I253-F256 HydrophobicContact CG2-CZ 3.96Å; F256-L313 HydrophobicContact CE1-CD1 3.94Å; F256-L313 HydrophobicContact CZ-CD1 4.45Å; F256-L317 HydrophobicContact CD1-CD2 3.97Å; F256-L317 HydrophobicContact CE1-CD2 4.17Å; F256-M322 HydrophobicContact CB-SD 4.03Å; F256-V323 VanDerWaalsContact CA-O 3.29Å; F256-V323 WeakPolarHBondContact CA-O 3.39Å; F256-A324 HydrophobicContact CD1-CB 3.68Å; F256-A324 HydrophobicContact CE1-CB 3.54Å; F256-A324 HydrophobicContact CZ-CB 4.41Å
257I97.8Very high95.9Very high11 Ų1150.5 Ų50.56%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-139.3143.1-179.8-61.5-177.6000108.3D261 I262 M322 V323 I325 L363 L369I257-D261 HydrophobicContact CG2-CB 3.73Å; I257-I262 HydrophobicContact CG2-CB 4.29Å; I257-M322 WeakPolarHBondContact O-CA 3.41Å; I257-V323 HydrophobicContact CB-CG2 4.22Å; I257-V323 PolarHBondContact N-O 2.94Å; I257-V323 WeakPolarHBondContact O-CG2 3.13Å; I257-V323 PolarHBondContact O-N 3.32Å; I257-I325 HydrophobicContact CD1-CD1 4.05Å; I257-I325 HydrophobicContact CD1-CG1 3.84Å; I257-I325 HydrophobicContact CG1-CG1 4.13Å; I257-L363 HydrophobicContact CD1-CD2 3.35Å; I257-L363 HydrophobicContact CD1-CG 4.36Å; I257-L369 HydrophobicContact CD1-CD1 4.3Å
258D96.6Very high95.7Very high41 Ų4153.2 Ų53.222%0.21932%0.322CS..EExtended strand (participates in β ladder)trans-63.6146.6175.7-66.1-38.4000112.3A260 D261 I262 M322D258-A260 PolarHBondContact O-N 2.65Å; D258-D261 HydrophobicContact CB-CB 4.41Å; D258-D261 PolarHBondContact O-N 2.79Å; D258-I262 PolarHBondContact O-N 3.21Å; D258-M322 WeakPolarHBondContact OD1-CG 3.47Å
259I95.1Very high95.6Very high80 Ų8051.3 Ų51.341%0.4132%0.315SS..Hα-helixtrans-58.9-32.4174.9-73.2169.8000111D261 I262 S263 G321 V323I259-D261 VanDerWaalsContact C-N 3.3Å; I259-D261 PolarHBondContact O-N 2.88Å; I259-I262 WeakPolarHBondContact O-CG2 3.41Å; I259-S263 PolarHBondContact O-N 2.86Å; I259-G321 VanDerWaalsContact CB-O 3.25Å; I259-G321 WeakPolarHBondContact CB-O 3.19Å; I259-G321 VanDerWaalsContact CD1-C 3.47Å; I259-G321 WeakPolarHBondContact CD1-O 3.4Å; I259-G321 WeakPolarHBondContact CG1-O 3.27Å; I259-G321 PolarHBondContact N-O 3.12Å; I259-V323 HydrophobicContact CG1-CG1 3.82Å
260A95Very high95.4Very high85 Ų8554.9 Ų54.970%0.70232%0.32SS*.Hα-helixtrans-63.7-36.4176.400000112.5D258D258-A260 PolarHBondContact O-N 2.65Å
261D96.9Very high95.2Very high19 Ų1952.2 Ų52.210%0.10231%0.306CS..Hα-helixtrans-86.8-38-175.1-73.2-15.2000112.7I257 D258 I259 S263 W362 Y380 S387 F389I257-D261 HydrophobicContact CG2-CB 3.73Å; D258-D261 HydrophobicContact CB-CB 4.41Å; D258-D261 PolarHBondContact O-N 2.79Å; I259-D261 VanDerWaalsContact C-N 3.3Å; I259-D261 PolarHBondContact O-N 2.88Å; D261-S263 PolarHBondContact O-N 3.37Å; D261-W362 PolarHBondContact O-NE1 3.25Å; D261-Y380 WeakPolarHBondContact OD2-CE1 3.24Å; D261-S387 PolarHBondContact OD1-OG 3.44Å; D261-S387 VanDerWaalsContact OD1-OG 3.08Å; D261-S387 WeakPolarHBondContact OD2-CB 3.09Å; D261-S387 PolarHBondContact OD2-OG 3.39Å; D261-F389 HydrophobicContact CB-CB 3.94Å; D261-F389 HydrophobicContact CB-CD2 3.9Å; D261-F389 HydrophobicContact CB-CG 4.27Å
262I95.9Very high95.1Very high3 Ų353.6 Ų53.62%0.01531%0.313CS..Hα-helixtrans-66.4-28.9170.8-156.970.3000111I257 D258 I259 P265 V323 I325 M335 F353 L360 W362 L363I257-I262 HydrophobicContact CG2-CB 4.29Å; D258-I262 PolarHBondContact O-N 3.21Å; I259-I262 WeakPolarHBondContact O-CG2 3.41Å; I262-P265 HydrophobicContact CG1-CG 4.09Å; I262-P265 WeakPolarHBondContact O-CD 3.26Å; I262-V323 HydrophobicContact CB-CG2 4Å; I262-V323 HydrophobicContact CD1-CG2 4.38Å; I262-V323 HydrophobicContact CG1-CG2 4.02Å; I262-V323 HydrophobicContact CG2-CG1 4.03Å; I262-V323 HydrophobicContact CG2-CG2 4.07Å; I262-I325 HydrophobicContact CD1-CD1 4.18Å; I262-M335 HydrophobicContact CG1-SD 3.8Å; I262-F353 HydrophobicContact CD1-CZ 4.2Å; I262-L360 HydrophobicContact CD1-CD1 3.82Å; I262-W362 PolarHBondContact O-NE1 3.05Å; I262-L363 HydrophobicContact CD1-CD1 4.16Å; I262-L363 HydrophobicContact CD1-CD2 3.73Å
263S93.9Very high95Very high73 Ų7351 Ų5151%0.5130%0.301SS..  trans62.1-126.7-178.7-167.90000112.3I259 D261I259-S263 PolarHBondContact O-N 2.86Å; D261-S263 PolarHBondContact O-N 3.37Å
264S92.9Very high94.7Very high109 Ų10952 Ų5276%0.76231%0.307SS*.SBendtrans-126.776.9175.8-65.40000109.1
265P94.8Very high94.4Very high13 Ų1351 Ų518%0.08430%0.302CS..  trans-66.6146.6-173.428.3-35.1000111.4I262 V267 M335 F353 L360 W362I262-P265 HydrophobicContact CG1-CG 4.09Å; I262-P265 WeakPolarHBondContact O-CD 3.26Å; P265-V267 HydrophobicContact CG-CG1 4.36Å; P265-M335 HydrophobicContact CG-CE 3.53Å; P265-M335 HydrophobicContact CG-SD 3.84Å; P265-F353 HydrophobicContact CB-CD1 4.34Å; P265-F353 HydrophobicContact CB-CE1 3.77Å; P265-F353 HydrophobicContact CG-CE1 3.65Å; P265-F353 HydrophobicContact CG-CZ 4.33Å; P265-L360 HydrophobicContact CB-CD1 3.73Å; P265-L360 HydrophobicContact CB-CD2 3.45Å; P265-L360 VanDerWaalsContact CB-CD2 3.45Å; P265-L360 HydrophobicContact CB-CG 4.26Å; P265-L360 HydrophobicContact CG-CD1 4.49Å; P265-W362 HydrophobicContact CB-CZ2 4.2Å
266P92.9Very high94Very high93 Ų9351.3 Ų51.360%0.60430%0.296SS*.  trans-64.4135.7164.929.9-33.6000108.9L360P266-L360 HydrophobicContact CG-CD2 4.43Å
267V92.7Very high93.1Very high37 Ų3749.2 Ų49.222%0.22430%0.297CS..  trans-134.5146.1-177.1-63.20000108.6P265 R270 M335 L352 F353P265-V267 HydrophobicContact CG-CG1 4.36Å; V267-R270 HydrophobicContact CG2-CG 4.18Å; V267-M335 HydrophobicContact CG1-CE 4.27Å; V267-L352 CarbonylContact C-O 3.5Å; V267-L352 VanDerWaalsContact CA-O 3.26Å; V267-L352 WeakPolarHBondContact CA-O 3.49Å; V267-L352 WeakPolarHBondContact CB-O 3.47Å; V267-F353 HydrophobicContact CG1-CD1 3.9Å; V267-F353 HydrophobicContact CG1-CE1 3.97Å
268L90.5Very high91.7Very high66 Ų6652.2 Ų52.235%0.34631%0.312SS..SBendtrans-67-49.2177-70.9178.6000110.9F234 W332 L352 E354F234-L268 HydrophobicContact CD2-CD1 3.61Å; F234-L268 HydrophobicContact CD2-CD2 4.07Å; F234-L268 HydrophobicContact CD2-CG 4.49Å; F234-L268 HydrophobicContact CE2-CD1 3.92Å; F234-L268 HydrophobicContact CE2-CD2 3.63Å; F234-L268 HydrophobicContact CE2-CG 4.45Å; F234-L268 HydrophobicContact CG-CD1 4.07Å; F234-L268 HydrophobicContact CZ-CD2 4.39Å; L268-W332 HydrophobicContact CD1-CZ2 4.31Å; L268-L352 HydrophobicContact CB-CB 4.47Å; L268-L352 PolarHBondContact N-O 2.9Å; L268-E354 VanDerWaalsContact CD2-OE2 3.24Å; L268-E354 WeakPolarHBondContact CD2-OE2 3.36Å
269S90.4Very high89.8Confident40 Ų4055.3 Ų55.328%0.2833%0.329SS..EExtended strand (participates in β ladder)trans-157163.3-172.856.70000111H271 S351 L352S269-H271 WeakPolarHBondContact CB-NE2 3.35Å; S269-H271 PolarHBondContact OG-NE2 3.2Å; S269-S351 WeakPolarHBondContact O-CA 3.25Å; S269-L352 PolarHBondContact O-N 3.17Å; S269-L352 VanDerWaalsContact O-N 3.16Å; S269-L352 WeakPolarHBondContact OG-CD1 3.25Å
270R91.5Very high87.5Confident147 Ų14762.1 Ų62.156%0.55536%0.356SS*.EExtended strand (participates in β ladder)trans-127137.4-179.4-54.6-172.3174.6171.6-0.5110V267 M349 M350 S351V267-R270 HydrophobicContact CG2-CG 4.18Å; R270-M349 HydrophobicContact CB-CE 3.95Å; R270-M350 CarbonylContact C-O 3.53Å; R270-M350 WeakPolarHBondContact CA-O 3.41Å; R270-S351 WeakPolarHBondContact CG-OG 3.24Å
271H94.1Very high85Confident5 Ų565.9 Ų65.92%0.02336%0.359CS..EExtended strand (participates in β ladder)trans-136.5137-174-51.3-86.9000110V227 F228 P229 S269 M349 M350V227-H271 HydrophobicContact CG1-CB 3.42Å; V227-H271 VanDerWaalsContact CG1-CB 3.42Å; F228-H271 CarbonylContact O-C 3.51Å; F228-H271 WeakPolarHBondContact O-CA 3.36Å; P229-H271 PolarHBondContact O-ND1 3.2Å; S269-H271 WeakPolarHBondContact CB-NE2 3.35Å; S269-H271 PolarHBondContact OG-NE2 3.2Å; H271-M349 CarbonylContact O-C 3.57Å; H271-M349 VanDerWaalsContact O-CA 3.22Å; H271-M349 WeakPolarHBondContact O-CA 3.27Å; H271-M350 PolarHBondContact N-O 3.4Å; H271-M350 PolarHBondContact O-N 3.29Å
272L94.4Very high82.6Confident30 Ų3069 Ų6916%0.15740%0.395CS..EExtended strand (participates in β ladder)trans-70.3142.2163.4-74.1163.2000109.4L48 V227 F228 L274 N347 M349L48-L272 HydrophobicContact CD1-CD1 3.72Å; V227-L272 WeakPolarHBondContact CA-O 3.23Å; F228-L272 PolarHBondContact N-O 2.98Å; F228-L272 PolarHBondContact O-N 2.92Å; L272-L274 HydrophobicContact CB-CD2 4.45Å; L272-L274 HydrophobicContact CB-CG 4.32Å; L272-N347 HydrophobicContact CD2-CB 3.63Å; L272-M349 HydrophobicContact CD2-CG 3.72Å; L272-M349 HydrophobicContact CD2-SD 4.32Å; L272-M349 HydrophobicContact CG-CG 4.43Å
273V96.1Very high80Confident2 Ų275.1 Ų75.11%0.01243%0.428CS..EExtended strand (participates in β ladder)trans-118112.5173.9-178.60000107.8L216 V225 Q226 L336 L348 M350L216-V273 HydrophobicContact CD2-CG1 4.42Å; V225-V273 HydrophobicContact CB-CG1 3.78Å; V225-V273 HydrophobicContact CG1-CG1 3.85Å; V225-V273 HydrophobicContact CG2-CG1 3.92Å; Q226-V273 WeakPolarHBondContact O-CA 3.27Å; V273-L336 HydrophobicContact CB-CD2 4.3Å; V273-L336 HydrophobicContact CG2-CD2 3.73Å; V273-L348 HydrophobicContact CB-CD2 4.12Å; V273-L348 HydrophobicContact CB-CG 4.21Å; V273-L348 HydrophobicContact CG1-CD2 4.12Å; V273-L348 PolarHBondContact N-O 3.13Å; V273-M350 HydrophobicContact CG2-CB 3.65Å
274L92.7Very high77.9Confident36 Ų3675.4 Ų75.419%0.18842%0.421CS..EExtended strand (participates in β ladder)trans-121.2134-170.1-56.6172.3000109.6L48 V225 Q226 L272L48-L274 HydrophobicContact CD1-CD1 3.46Å; L48-L274 VanDerWaalsContact CD1-CD1 3.46Å; V225-L274 CarbonylContact C-O 3.49Å; V225-L274 WeakPolarHBondContact CA-O 3.47Å; V225-L274 WeakPolarHBondContact CB-O 3.39Å; Q226-L274 PolarHBondContact N-O 3.44Å; Q226-L274 PolarHBondContact O-N 2.97Å; L272-L274 HydrophobicContact CB-CD2 4.45Å; L272-L274 HydrophobicContact CB-CG 4.32Å
275P91.9Very high75.6Confident61 Ų6173.3 Ų73.340%0.39640%0.403SS..EExtended strand (participates in β ladder)trans-67140.1175.428.8-33.8000110.8D224 N308 C310D224-P275 WeakPolarHBondContact O-CA 3.38Å; P275-N308 VanDerWaalsContact CB-ND2 3.31Å; P275-N308 WeakPolarHBondContact CB-ND2 3.22Å; P275-N308 WeakPolarHBondContact CB-OD1 3.43Å; P275-C310 HydrophobicContact CB-CB 4.28Å; P275-C310 HydrophobicContact CG-CB 4.32Å
276I89.3Confident72.9Confident33 Ų3375.7 Ų75.717%0.16943%0.431CS..  trans-113.7146.617258.3176.2000109.8H213 D224 Q226 L278H213-I276 HydrophobicContact CB-CD1 4.33Å; D224-I276 HydrophobicContact CB-CD1 4.18Å; D224-I276 HydrophobicContact CB-CG1 3.69Å; D224-I276 PolarHBondContact O-N 3.18Å; Q226-I276 HydrophobicContact CB-CG2 3.77Å; I276-L278 HydrophobicContact CD1-CD1 4.19Å; I276-L278 HydrophobicContact CD1-CD2 3.91Å; I276-L278 HydrophobicContact CD1-CG 4.01Å; I276-L278 HydrophobicContact CG1-CD2 4.39Å; I276-L278 HydrophobicContact CG1-CG 4.15Å
277A79.8Confident70.4Confident50 Ų5075.9 Ų75.941%0.41343%0.43SS..  trans-92102174.100000108.4V285 A303A277-V285 WeakPolarHBondContact O-CG2 3.45Å; A277-A303 HydrophobicContact CB-CB 3.81Å
278L68.6Low67.5Low73 Ų7376.9 Ų76.938%0.38245%0.448SS..BIsolated β-bridgetrans-93.6130.1170.8-62.7-177.9000109.5D224 I276D224-L278 HydrophobicContact CB-CD1 3.69Å; D224-L278 HydrophobicContact CB-CG 4.07Å; D224-L278 VanDerWaalsContact CG-CD1 3.49Å; I276-L278 HydrophobicContact CD1-CD1 4.19Å; I276-L278 HydrophobicContact CD1-CD2 3.91Å; I276-L278 HydrophobicContact CD1-CG 4.01Å; I276-L278 HydrophobicContact CG1-CD2 4.39Å; I276-L278 HydrophobicContact CG1-CG 4.15Å
279N55.6Low65Low106 Ų10682 Ų8257%0.56747%0.474SS*.  trans-81157.4165.1-92.3-24.4000109.8E281 V285N279-E281 CarbonylContact O-C 3.53Å; N279-E281 PolarHBondContact O-N 3.49Å; N279-E281 VanDerWaalsContact O-N 3.1Å; N279-V285 HydrophobicContact CB-CG2 4.4Å
280K47.1Very low62.2Low224 Ų22486 Ų8697%0.97450%0.497SS*.SBendtrans-710.7-170.3-85.7-175.5175.91790116.1
281E44.1Very low59.7Low164 Ų16486.9 Ų86.977%0.76651%0.512SS*.SBendtrans-109125159.8-67.8-179.316900103.8N279 D283N279-E281 CarbonylContact O-C 3.53Å; N279-E281 PolarHBondContact O-N 3.49Å; N279-E281 VanDerWaalsContact O-N 3.1Å; E281-D283 PolarHBondContact O-N 3.43Å
282G44.6Very low56.8Low84 Ų8491.9 Ų91.987%0.86654%0.539SS*.SBendtrans-64.226.2-16400000117.1
283D41.6Very low54.3Low131 Ų13198.3 Ų98.370%0.70157%0.574SS**SBendtrans-85.3126.6159.3-74.5-31.2000109.2E281E281-D283 PolarHBondContact O-N 3.43Å
284E50.9Low51.7Low80 Ų80105.8 Ų105.837%0.37461%0.609SS.*BIsolated β-bridgetrans-40144.4158.2-139.7172.6-179.200109.2G286E284-G286 VanDerWaalsContact C-N 3.26Å; E284-G286 PolarHBondContact O-N 3.01Å
285V44.6Very low49.7Very low64 Ų64109.1 Ų109.139%0.38863%0.627SS.*SBendtrans-5992.3178.6-174.40000109.3A277 N279 A299A277-V285 WeakPolarHBondContact O-CG2 3.45Å; N279-V285 HydrophobicContact CB-CG2 4.4Å; V285-A299 HydrophobicContact CG1-CB 4.03Å
286G38.4Very low47.7Very low64 Ų64111.3 Ų111.366%0.6663%0.632SS**  trans48.987.5167.600000117.6E284E284-G286 VanDerWaalsContact C-N 3.26Å; E284-G286 PolarHBondContact O-N 3.01Å
287T40Very low46.1Very low96 Ų96114.7 Ų114.759%0.58965%0.65SS**  trans-89.423.6152.449.20000112I289T287-I289 PolarHBondContact O-N 3.34Å
288G30.3Very low45.2Very low58 Ų58114.6 Ų114.660%0.59865%0.646SS**  trans-77.3120.5174.800000110.8T290G288-T290 PolarHBondContact O-N 3.36Å
289I39.3Very low45.2Very low175 Ų175112.6 Ų112.690%0.89764%0.64SS**  trans-5495.5174-56162.3000109.8T287T287-I289 PolarHBondContact O-N 3.34Å
290T32Very low46Very low124 Ų124112.4 Ų112.476%0.76164%0.639SS**  trans-147.6124.5150.9420000109G288 D292G288-T290 PolarHBondContact O-N 3.36Å; T290-D292 PolarHBondContact O-N 3.09Å
291D37.3Very low47.2Very low164 Ų164106.8 Ų106.888%0.87762%0.617SS**  trans-48.889.5175.2-156.913000112
292D35Very low48.8Very low111 Ų111104 Ų10459%0.59461%0.606SS**  trans-160.298.2164.2-88.1-37.5000111.6T290 E294 D295T290-D292 PolarHBondContact O-N 3.09Å; D292-E294 PolarHBondContact O-N 2.88Å; D292-D295 PolarHBondContact O-N 3.46Å
293N41.4Very low50.3Low164 Ų164101.6 Ų101.688%0.87758%0.577SS**THydrogen-bonded Turntrans-61.7-2170.9-94-39.9000114.1
294E41.1Very low52.2Low160 Ų16098.6 Ų98.675%0.74858%0.577SS**THydrogen-bonded Turntrans-84.1-23.7179.4-63.4-165.216400113D292D292-E294 PolarHBondContact O-N 2.88Å
295D50.1Low53.9Low106 Ų106102.7 Ų102.757%0.56759%0.594SS**Hα-helixtrans-85.7-35.6-171.4-85.2-21.9000115D292 N297 S298 A299D292-D295 PolarHBondContact O-N 3.46Å; D295-N297 VanDerWaalsContact C-N 3.27Å; D295-N297 PolarHBondContact O-N 3.22Å; D295-S298 PolarHBondContact O-N 2.91Å; D295-S298 PolarHBondContact O-OG 2.73Å; D295-A299 PolarHBondContact O-N 3.3Å
296E49.9Very low55.9Low107 Ų107104.8 Ų104.850%0.560%0.602SS.*Hα-helixtrans-62.8-36.2175.5-84.8-154.2163.800112.2S298 N300E296-S298 VanDerWaalsContact C-N 3.31Å; E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 2.98Å; E296-N300 PolarHBondContact O-ND2 2.72Å; E296-N300 VanDerWaalsContact O-ND2 3.08Å
297N56.8Low58.4Low104 Ų104107.8 Ų107.856%0.55661%0.61SS**Hα-helixtrans-72.3-30.7-179.9-149.8-1.7000110.7D295 Q301D295-N297 VanDerWaalsContact C-N 3.27Å; D295-N297 PolarHBondContact O-N 3.22Å; N297-Q301 VanDerWaalsContact O-CB 3.31Å; N297-Q301 WeakPolarHBondContact O-CB 3.47Å; N297-Q301 WeakPolarHBondContact O-CG 3.15Å; N297-Q301 PolarHBondContact O-N 2.99Å; N297-Q301 PolarHBondContact O-NE2 2.93Å; N297-Q301 PolarHBondContact OD1-NE2 2.97Å
298S61.1Low61Low48 Ų48105.5 Ų105.534%0.33659%0.594SS.*Hα-helixtrans-73.2-43.3174.385.50000111.5D295 E296 Q301 I302D295-S298 PolarHBondContact O-N 2.91Å; D295-S298 PolarHBondContact O-OG 2.73Å; E296-S298 VanDerWaalsContact C-N 3.31Å; S298-Q301 PolarHBondContact O-N 3.16Å; S298-I302 VanDerWaalsContact O-CG1 3.26Å; S298-I302 WeakPolarHBondContact O-CG1 3.17Å; S298-I302 PolarHBondContact O-N 2.79Å
299A68.1Low64.1Low30 Ų30103.7 Ų103.725%0.24857%0.569CS.*Hα-helixtrans-63.2-46.7177.200000112.6V285 D295 Q301 I302 A303V285-A299 HydrophobicContact CG1-CB 4.03Å; D295-A299 PolarHBondContact O-N 3.3Å; A299-Q301 VanDerWaalsContact C-N 3.3Å; A299-Q301 PolarHBondContact O-N 2.83Å; A299-I302 PolarHBondContact O-N 3.39Å; A299-A303 WeakPolarHBondContact O-CB 3.28Å; A299-A303 PolarHBondContact O-N 2.85Å
300N71.5Confident66.7Low103 Ų10395.5 Ų95.555%0.55153%0.528SS*.Hα-helixtrans-64.4-34176.1-78.3-44.2000112.5E296 G304E296-N300 WeakPolarHBondContact O-CB 3.4Å; E296-N300 PolarHBondContact O-N 2.98Å; E296-N300 PolarHBondContact O-ND2 2.72Å; E296-N300 VanDerWaalsContact O-ND2 3.08Å; N300-G304 PolarHBondContact O-N 2.91Å
301Q72.4Confident69.6Low106 Ų10694.3 Ų94.350%0.49552%0.52SS..Hα-helixtrans-70.2-34.1174.3-78.2174.137.900113N297 S298 A299 K305N297-Q301 VanDerWaalsContact O-CB 3.31Å; N297-Q301 WeakPolarHBondContact O-CB 3.47Å; N297-Q301 WeakPolarHBondContact O-CG 3.15Å; N297-Q301 PolarHBondContact O-N 2.99Å; N297-Q301 PolarHBondContact O-NE2 2.93Å; N297-Q301 PolarHBondContact OD1-NE2 2.97Å; S298-Q301 PolarHBondContact O-N 3.16Å; A299-Q301 VanDerWaalsContact C-N 3.3Å; A299-Q301 PolarHBondContact O-N 2.83Å; Q301-K305 WeakPolarHBondContact O-CG 3.38Å; Q301-K305 PolarHBondContact O-N 2.84Å
302I77.4Confident72.4Confident106 Ų10691.4 Ų91.454%0.54450%0.504SS..Hα-helixtrans-68.7-50.8174.3-66.7162.1000109.3S298 A299 G304 K305 I306S298-I302 VanDerWaalsContact O-CG1 3.26Å; S298-I302 WeakPolarHBondContact O-CG1 3.17Å; S298-I302 PolarHBondContact O-N 2.79Å; A299-I302 PolarHBondContact O-N 3.39Å; I302-G304 VanDerWaalsContact C-N 3.3Å; I302-G304 PolarHBondContact O-N 2.98Å; I302-K305 PolarHBondContact O-N 3.36Å; I302-K305 VanDerWaalsContact O-N 3.12Å; I302-I306 HydrophobicContact CG2-CD1 4.5Å
303A77.6Confident75.4Confident32 Ų3286.4 Ų86.426%0.26448%0.478SS..Hα-helixtrans-58.9-40.7177.200000112.2A277 A299 K305 I306A277-A303 HydrophobicContact CB-CB 3.81Å; A299-A303 WeakPolarHBondContact O-CB 3.28Å; A299-A303 PolarHBondContact O-N 2.85Å; A303-K305 PolarHBondContact O-N 2.79Å; A303-K305 VanDerWaalsContact O-N 3.17Å; A303-I306 PolarHBondContact O-N 2.87Å
304G80.6Confident78Confident68 Ų6880.3 Ų80.370%0.70144%0.443SS*.THydrogen-bonded Turntrans-65.9-14.7178.400000115.1N300 I302N300-G304 PolarHBondContact O-N 2.91Å; I302-G304 VanDerWaalsContact C-N 3.3Å; I302-G304 PolarHBondContact O-N 2.98Å
305K85.9Confident80.5Confident167 Ų16774.1 Ų74.173%0.72642%0.423SS*.THydrogen-bonded Turntrans-93.1-14.3173.7-69.1172.1-171.8172.80113Q301 I302 A303Q301-K305 WeakPolarHBondContact O-CG 3.38Å; Q301-K305 PolarHBondContact O-N 2.84Å; I302-K305 PolarHBondContact O-N 3.36Å; I302-K305 VanDerWaalsContact O-N 3.12Å; A303-K305 PolarHBondContact O-N 2.79Å; A303-K305 VanDerWaalsContact O-N 3.17Å
306I87.4Confident82.7Confident108 Ų10871.8 Ų71.855%0.55442%0.415SS*.SBendtrans-84.6125.6179.1-61.5171.1000108.3I302 A303 N308I302-I306 HydrophobicContact CG2-CD1 4.5Å; A303-I306 PolarHBondContact O-N 2.87Å; I306-N308 PolarHBondContact O-N 3Å
307P91.8Very high85Confident127 Ų12766.9 Ų66.983%0.82539%0.392SS*.  trans-57.8128.1175.5-23.533.7000111
308N93.2Very high86.7Confident47 Ų4767.9 Ų67.925%0.25139%0.392SS..  trans-118.6133.6-179.2-171.1-73.2000111.1P275 I306 C310 V311 L312P275-N308 VanDerWaalsContact CB-ND2 3.31Å; P275-N308 WeakPolarHBondContact CB-ND2 3.22Å; P275-N308 WeakPolarHBondContact CB-OD1 3.43Å; I306-N308 PolarHBondContact O-N 3Å; N308-C310 VanDerWaalsContact C-N 3.27Å; N308-C310 PolarHBondContact O-N 2.97Å; N308-C310 VanDerWaalsContact OD1-CB 3.22Å; N308-C310 WeakPolarHBondContact OD1-CB 3.31Å; N308-C310 PolarHBondContact OD1-N 3.29Å; N308-V311 HydrophobicContact CB-CG2 4.23Å; N308-V311 PolarHBondContact O-N 3.07Å; N308-V311 VanDerWaalsContact O-N 3.15Å; N308-L312 PolarHBondContact O-N 3.05Å
309F95.7Very high88.3Confident20 Ų2071.1 Ų71.19%0.08841%0.409CS..Hα-helixtrans-60.3-34.2-178.4175.3-125.4000112.9L216 C218 L221 A223 I253 V311 L312 L313L216-F309 HydrophobicContact CD2-CD1 4.34Å; L216-F309 HydrophobicContact CD2-CE1 4.23Å; L216-F309 HydrophobicContact CG-CD1 4.3Å; L216-F309 HydrophobicContact CG-CE1 4.06Å; C218-F309 HydrophobicContact CB-CE1 3.84Å; C218-F309 HydrophobicContact CB-CE2 4.29Å; C218-F309 HydrophobicContact CB-CZ 3.39Å; L221-F309 HydrophobicContact CB-CD1 4.36Å; L221-F309 HydrophobicContact CB-CD2 3.74Å; L221-F309 HydrophobicContact CB-CE1 4.42Å; L221-F309 HydrophobicContact CB-CE2 3.83Å; L221-F309 HydrophobicContact CB-CG 4.04Å; L221-F309 HydrophobicContact CB-CZ 4.19Å; L221-F309 HydrophobicContact CD1-CD2 3.96Å; L221-F309 HydrophobicContact CD1-CE2 3.7Å; L221-F309 HydrophobicContact CG-CD2 4.41Å; L221-F309 HydrophobicContact CG-CE2 4.42Å; A223-F309 HydrophobicContact CB-CB 3.98Å; I253-F309 HydrophobicContact CD1-CE1 4.19Å; I253-F309 HydrophobicContact CD1-CZ 4.18Å; F309-V311 VanDerWaalsContact C-N 3.27Å; F309-V311 PolarHBondContact O-N 3.27Å; F309-L312 PolarHBondContact O-N 2.66Å; F309-L313 HydrophobicContact CD2-CB 4.47Å; F309-L313 HydrophobicContact CE1-CD2 4.17Å; F309-L313 HydrophobicContact CE2-CB 4.05Å; F309-L313 HydrophobicContact CZ-CB 4.1Å; F309-L313 HydrophobicContact CZ-CD1 4.26Å; F309-L313 HydrophobicContact CZ-CD2 4.09Å; F309-L313 HydrophobicContact CZ-CG 4.38Å; F309-L313 VanDerWaalsContact O-CB 3.31Å; F309-L313 WeakPolarHBondContact O-CB 3.43Å; F309-L313 PolarHBondContact O-N 3.12Å
310C94.6Very high89.6Confident4 Ų475.6 Ų75.63%0.02743%0.425CS..Hα-helixtrans-60.8-37.5177.7-62.40000112.4V225 P275 N308 H314 L348V225-C310 WeakPolarHBondContact CG1-SG 3.4Å; P275-C310 HydrophobicContact CB-CB 4.28Å; P275-C310 HydrophobicContact CG-CB 4.32Å; N308-C310 VanDerWaalsContact C-N 3.27Å; N308-C310 PolarHBondContact O-N 2.97Å; N308-C310 VanDerWaalsContact OD1-CB 3.22Å; N308-C310 WeakPolarHBondContact OD1-CB 3.31Å; N308-C310 PolarHBondContact OD1-N 3.29Å; C310-H314 WeakPolarHBondContact O-CB 3.35Å; C310-H314 PolarHBondContact O-N 3.34Å; C310-L348 HydrophobicContact CB-CD2 4.38Å
311V93.5Very high90.6Very high99 Ų9972 Ų7260%0.641%0.412SS*.Hα-helixtrans-69.3-43.7179.6-179.20000110.4N308 F309 G315N308-V311 HydrophobicContact CB-CG2 4.23Å; N308-V311 PolarHBondContact O-N 3.07Å; N308-V311 VanDerWaalsContact O-N 3.15Å; F309-V311 VanDerWaalsContact C-N 3.27Å; F309-V311 PolarHBondContact O-N 3.27Å; V311-G315 PolarHBondContact O-N 3.31Å; V311-G315 VanDerWaalsContact O-N 3.09Å
312L96Very high91.8Very high102 Ų10269.3 Ų69.353%0.53440%0.4SS..Hα-helixtrans-61.4-53.6175.1175.562.2000110.9N308 F309 H314 G315 S316N308-L312 PolarHBondContact O-N 3.05Å; F309-L312 PolarHBondContact O-N 2.66Å; L312-H314 PolarHBondContact O-N 3.42Å; L312-G315 PolarHBondContact O-N 3.08Å; L312-S316 PolarHBondContact O-N 3.15Å; L312-S316 PolarHBondContact O-OG 3.17Å
313L97.3Very high92.8Very high7 Ų764.4 Ų64.44%0.03738%0.375CS..Hα-helixtrans-58.5-49.6-178.217965000111.4L216 I253 F256 F309 G315 S316 L317 L336 L348L216-L313 HydrophobicContact CD2-CD2 3.83Å; I253-L313 HydrophobicContact CD1-CD1 4.33Å; I253-L313 HydrophobicContact CD1-CD2 3.68Å; F256-L313 HydrophobicContact CE1-CD1 3.94Å; F256-L313 HydrophobicContact CZ-CD1 4.45Å; F309-L313 HydrophobicContact CD2-CB 4.47Å; F309-L313 HydrophobicContact CE1-CD2 4.17Å; F309-L313 HydrophobicContact CE2-CB 4.05Å; F309-L313 HydrophobicContact CZ-CB 4.1Å; F309-L313 HydrophobicContact CZ-CD1 4.26Å; F309-L313 HydrophobicContact CZ-CD2 4.09Å; F309-L313 HydrophobicContact CZ-CG 4.38Å; F309-L313 VanDerWaalsContact O-CB 3.31Å; F309-L313 WeakPolarHBondContact O-CB 3.43Å; F309-L313 PolarHBondContact O-N 3.12Å; L313-G315 VanDerWaalsContact C-N 3.35Å; L313-G315 PolarHBondContact O-N 3.31Å; L313-S316 PolarHBondContact O-N 3.05Å; L313-L317 HydrophobicContact CD1-CD1 3.92Å; L313-L317 HydrophobicContact CD1-CD2 4.41Å; L313-L317 HydrophobicContact CD1-CG 3.97Å; L313-L317 HydrophobicContact CD2-CD1 4.5Å; L313-L317 HydrophobicContact CG-CD1 3.85Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 VanDerWaalsContact O-CG 3.25Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.26Å; L313-L336 HydrophobicContact CD2-CD1 4.12Å; L313-L348 HydrophobicContact CD2-CD1 4.44Å; L313-L348 HydrophobicContact CD2-CD2 4.12Å
314H95.7Very high93.8Very high35 Ų3562.9 Ų62.916%0.16236%0.362CS..Hα-helixtrans-57.9-46.5178170.2-108.7000112.6C310 L312 K318 S338 S346 N347 L348C310-H314 WeakPolarHBondContact O-CB 3.35Å; C310-H314 PolarHBondContact O-N 3.34Å; L312-H314 PolarHBondContact O-N 3.42Å; H314-K318 WeakPolarHBondContact O-CB 3.37Å; H314-K318 PolarHBondContact O-N 3.28Å; H314-K318 VanDerWaalsContact O-N 3.07Å; H314-S338 PolarHBondContact CD2-OG 2.85Å; H314-S338 VanDerWaalsContact CD2-OG 3.29Å; H314-S338 PolarHBondContact NE2-OG 2.75Å; H314-S346 PolarHBondContact CE1-O 2.85Å; H314-S346 PolarHBondContact NE2-O 2.83Å; H314-S346 PolarHBondContact NE2-OG 3.21Å; H314-N347 PolarHBondContact CD2-O 2.81Å; H314-N347 PolarHBondContact NE2-N 2.86Å; H314-L348 HydrophobicContact CB-CB 4.2Å; H314-L348 HydrophobicContact CB-CD1 4.39Å; H314-L348 PolarHBondContact CD2-N 3.1Å
315G94.2Very high94.6Very high30 Ų3059.9 Ų59.931%0.30933%0.33SS..Hα-helixtrans-59.9-48.4178.500000111.6V311 L312 L313 K318 V319V311-G315 PolarHBondContact O-N 3.31Å; V311-G315 VanDerWaalsContact O-N 3.09Å; L312-G315 PolarHBondContact O-N 3.08Å; L313-G315 VanDerWaalsContact C-N 3.35Å; L313-G315 PolarHBondContact O-N 3.31Å; G315-K318 PolarHBondContact O-N 3.34Å; G315-V319 VanDerWaalsContact O-CG2 3.31Å; G315-V319 WeakPolarHBondContact O-CG2 3.44Å; G315-V319 PolarHBondContact O-N 2.82Å
316S96.6Very high95.2Very high58 Ų5851.9 Ų51.941%0.40630%0.296SS..Hα-helixtrans-63-49.7178.2-65.40000112.3L312 L313 K318 V319 E320L312-S316 PolarHBondContact O-N 3.15Å; L312-S316 PolarHBondContact O-OG 3.17Å; L313-S316 PolarHBondContact O-N 3.05Å; S316-K318 PolarHBondContact O-N 3.1Å; S316-V319 PolarHBondContact O-N 3.12Å; S316-E320 WeakPolarHBondContact O-CB 3.3Å; S316-E320 WeakPolarHBondContact O-CG 3.46Å; S316-E320 PolarHBondContact O-N 3.47Å
317L96.7Very high95.7Very high4 Ų450.5 Ų50.52%0.02129%0.287CS..Hα-helixtrans-58-37.4179-69.6176.5000112.2F256 L313 G321 M322 A324 L336 L348F256-L317 HydrophobicContact CD1-CD2 3.97Å; F256-L317 HydrophobicContact CE1-CD2 4.17Å; L313-L317 HydrophobicContact CD1-CD1 3.92Å; L313-L317 HydrophobicContact CD1-CD2 4.41Å; L313-L317 HydrophobicContact CD1-CG 3.97Å; L313-L317 HydrophobicContact CD2-CD1 4.5Å; L313-L317 HydrophobicContact CG-CD1 3.85Å; L313-L317 HydrophobicContact CG-CG 4.27Å; L313-L317 WeakPolarHBondContact O-CB 3.47Å; L313-L317 VanDerWaalsContact O-CG 3.25Å; L313-L317 WeakPolarHBondContact O-CG 3.49Å; L313-L317 PolarHBondContact O-N 3.26Å; L317-G321 WeakPolarHBondContact O-CA 3.46Å; L317-G321 PolarHBondContact O-N 3.22Å; L317-M322 HydrophobicContact CD2-CB 4.15Å; L317-M322 WeakPolarHBondContact CD2-O 3.45Å; L317-M322 PolarHBondContact O-N 3.11Å; L317-M322 VanDerWaalsContact O-N 3.13Å; L317-A324 HydrophobicContact CD1-CB 4.4Å; L317-A324 HydrophobicContact CD2-CB 4.22Å; L317-L336 HydrophobicContact CD1-CB 4.37Å; L317-L348 HydrophobicContact CD1-CD1 3.92Å
318K93.9Very high95.9Very high125 Ų12544.5 Ų44.554%0.54325%0.248SC..Hα-helixtrans-69.3-44.8177.7-169-178.7175.9-173.90112.8H314 G315 S316 S338H314-K318 WeakPolarHBondContact O-CB 3.37Å; H314-K318 PolarHBondContact O-N 3.28Å; H314-K318 VanDerWaalsContact O-N 3.07Å; G315-K318 PolarHBondContact O-N 3.34Å; S316-K318 PolarHBondContact O-N 3.1Å; K318-S338 WeakPolarHBondContact CB-OG 3.32Å
319V94.4Very high95.9Very high116 Ų11642.8 Ų42.870%0.70324%0.241SC*.Hα-helixtrans-71.2-45.5-176169.50000110.6G315 S316 G321G315-V319 VanDerWaalsContact O-CG2 3.31Å; G315-V319 WeakPolarHBondContact O-CG2 3.44Å; G315-V319 PolarHBondContact O-N 2.82Å; S316-V319 PolarHBondContact O-N 3.12Å; V319-G321 VanDerWaalsContact C-N 3.29Å; V319-G321 PolarHBondContact O-N 3.48Å
320E94.6Very high95.8Very high124 Ų12447.7 Ų47.758%0.57928%0.275SS*.Hα-helixtrans-78.7-14.2-178.7-58.6-57.6150.200112.8S316 M322S316-E320 WeakPolarHBondContact O-CB 3.3Å; S316-E320 WeakPolarHBondContact O-CG 3.46Å; S316-E320 PolarHBondContact O-N 3.47Å; E320-M322 VanDerWaalsContact C-N 3.35Å; E320-M322 HydrophobicContact CB-CB 4.47Å; E320-M322 HydrophobicContact CB-CE 3.4Å; E320-M322 HydrophobicContact CB-CG 4.15Å; E320-M322 HydrophobicContact CG-CE 3.73Å
321G94.1Very high95.6Very high28 Ų2853.4 Ų53.429%0.28930%0.301SS..THydrogen-bonded Turntrans65.739.9-177.600000112.4I259 L317 V319I259-G321 VanDerWaalsContact CB-O 3.25Å; I259-G321 WeakPolarHBondContact CB-O 3.19Å; I259-G321 VanDerWaalsContact CD1-C 3.47Å; I259-G321 WeakPolarHBondContact CD1-O 3.4Å; I259-G321 WeakPolarHBondContact CG1-O 3.27Å; I259-G321 PolarHBondContact N-O 3.12Å; L317-G321 WeakPolarHBondContact O-CA 3.46Å; L317-G321 PolarHBondContact O-N 3.22Å; V319-G321 VanDerWaalsContact C-N 3.29Å; V319-G321 PolarHBondContact O-N 3.48Å
322M96.6Very high95.8Very high48 Ų4849 Ų4924%0.23627%0.274CS..EExtended strand (participates in β ladder)trans-115.1166.1-178.4-75.5-165.9-82.400112.1F256 I257 D258 L317 E320F256-M322 HydrophobicContact CB-SD 4.03Å; I257-M322 WeakPolarHBondContact O-CA 3.41Å; D258-M322 WeakPolarHBondContact OD1-CG 3.47Å; L317-M322 HydrophobicContact CD2-CB 4.15Å; L317-M322 WeakPolarHBondContact CD2-O 3.45Å; L317-M322 PolarHBondContact O-N 3.11Å; L317-M322 VanDerWaalsContact O-N 3.13Å; E320-M322 VanDerWaalsContact C-N 3.35Å; E320-M322 HydrophobicContact CB-CB 4.47Å; E320-M322 HydrophobicContact CB-CE 3.4Å; E320-M322 HydrophobicContact CB-CG 4.15Å; E320-M322 HydrophobicContact CG-CE 3.73Å
323V97.8Very high95.8Very high3 Ų345.1 Ų45.12%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-119.3150.1166.2-52.50000109.9F256 I257 I259 I262 I325 M335 L336F256-V323 VanDerWaalsContact CA-O 3.29Å; F256-V323 WeakPolarHBondContact CA-O 3.39Å; I257-V323 HydrophobicContact CB-CG2 4.22Å; I257-V323 PolarHBondContact N-O 2.94Å; I257-V323 WeakPolarHBondContact O-CG2 3.13Å; I257-V323 PolarHBondContact O-N 3.32Å; I259-V323 HydrophobicContact CG1-CG1 3.82Å; I262-V323 HydrophobicContact CB-CG2 4Å; I262-V323 HydrophobicContact CD1-CG2 4.38Å; I262-V323 HydrophobicContact CG1-CG2 4.02Å; I262-V323 HydrophobicContact CG2-CG1 4.03Å; I262-V323 HydrophobicContact CG2-CG2 4.07Å; V323-I325 HydrophobicContact CG2-CD1 4.36Å; V323-M335 HydrophobicContact CB-CB 4.36Å; V323-M335 HydrophobicContact CG1-SD 4.39Å; V323-M335 HydrophobicContact CG2-CB 4.37Å; V323-L336 CarbonylContact C-O 3.59Å; V323-L336 VanDerWaalsContact CA-O 3.28Å; V323-L336 WeakPolarHBondContact CA-O 3.32Å; V323-L336 WeakPolarHBondContact CB-O 3.25Å
324A98.5Very high95.9Very high0 Ų044.8 Ų44.80%025%0.251CS..EExtended strand (participates in β ladder)trans-102.2125.7172.600000109.9I253 G255 F256 L317 M335 L336I253-A324 HydrophobicContact CD1-CB 4.23Å; I253-A324 HydrophobicContact CG1-CB 4.27Å; I253-A324 HydrophobicContact CG2-CB 3.94Å; G255-A324 CarbonylContact O-C 3.31Å; G255-A324 WeakPolarHBondContact O-CA 3.3Å; F256-A324 HydrophobicContact CD1-CB 3.68Å; F256-A324 HydrophobicContact CE1-CB 3.54Å; F256-A324 HydrophobicContact CZ-CB 4.41Å; L317-A324 HydrophobicContact CD1-CB 4.4Å; L317-A324 HydrophobicContact CD2-CB 4.22Å; A324-M335 CarbonylContact O-C 3.28Å; A324-M335 VanDerWaalsContact O-CA 3.27Å; A324-M335 WeakPolarHBondContact O-CA 3.45Å; A324-L336 HydrophobicContact CB-CB 4.21Å; A324-L336 PolarHBondContact N-O 3.1Å; A324-L336 PolarHBondContact O-N 3.38Å
325I98.5Very high96Very high5 Ų543.8 Ų43.83%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-77.8130176-58-51000109.3I253 V254 G255 I257 I262 V323 H333 M335 F353 M366I253-I325 CarbonylContact C-O 3.56Å; I253-I325 VanDerWaalsContact CA-O 3.32Å; I253-I325 WeakPolarHBondContact CA-O 3.29Å; V254-I325 HydrophobicContact CG2-CB 4.02Å; V254-I325 HydrophobicContact CG2-CG2 3.63Å; V254-I325 PolarHBondContact N-O 3.28Å; G255-I325 PolarHBondContact O-N 3.13Å; I257-I325 HydrophobicContact CD1-CD1 4.05Å; I257-I325 HydrophobicContact CD1-CG1 3.84Å; I257-I325 HydrophobicContact CG1-CG1 4.13Å; I262-I325 HydrophobicContact CD1-CD1 4.18Å; V323-I325 HydrophobicContact CG2-CD1 4.36Å; I325-H333 HydrophobicContact CG2-CB 4.48Å; I325-M335 HydrophobicContact CD1-CB 4.29Å; I325-F353 HydrophobicContact CD1-CE2 4.49Å; I325-M366 HydrophobicContact CG2-CE 3.6Å
326V98.2Very high96.2Very high0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-116.6136.2-178.6-178.10000110.2L251 E252 I253 L328 H333 G334 L336L251-V326 HydrophobicContact CB-CG1 3.92Å; L251-V326 HydrophobicContact CD2-CG1 4.34Å; E252-V326 CarbonylContact O-C 3.57Å; E252-V326 WeakPolarHBondContact O-CA 3.46Å; I253-V326 HydrophobicContact CG1-CG2 4Å; V326-L328 HydrophobicContact CG1-CD2 4.2Å; V326-H333 CarbonylContact O-C 3.53Å; V326-H333 VanDerWaalsContact O-CA 3.22Å; V326-H333 WeakPolarHBondContact O-CA 3.36Å; V326-G334 PolarHBondContact N-O 2.92Å; V326-G334 PolarHBondContact O-N 3.35Å; V326-L336 HydrophobicContact CG2-CB 4.39Å; V326-L336 HydrophobicContact CG2-CD1 3.33Å; V326-L336 HydrophobicContact CG2-CG 3.56Å
327Q97.8Very high96.2Very high79 Ų7940.5 Ų40.537%0.36922%0.216SC..EExtended strand (participates in β ladder)trans-83.2115170.3-172172.117.500110E252 V254E252-Q327 PolarHBondContact O-N 2.75Å; V254-Q327 HydrophobicContact CG1-CB 4.06Å
328L96.2Very high96Very high0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-92.3-20.8178.9-57.1174.9000111.8I247 N248 L251 V326 W332 H333 M350 L352I247-L328 CarbonylContact C-O 3.54Å; I247-L328 WeakPolarHBondContact CA-O 3.47Å; I247-L328 HydrophobicContact CB-CB 4.34Å; I247-L328 HydrophobicContact CB-CD2 4.44Å; I247-L328 HydrophobicContact CG2-CB 4.12Å; I247-L328 HydrophobicContact CG2-CD1 4.35Å; I247-L328 HydrophobicContact CG2-CD2 4.27Å; I247-L328 HydrophobicContact CG2-CG 4.48Å; N248-L328 WeakPolarHBondContact CB-O 3.5Å; N248-L328 PolarHBondContact N-O 2.75Å; L251-L328 HydrophobicContact CD2-CD2 4.21Å; V326-L328 HydrophobicContact CG1-CD2 4.2Å; L328-W332 HydrophobicContact CB-CB 4.35Å; L328-W332 HydrophobicContact CB-CD2 3.97Å; L328-W332 HydrophobicContact CB-CE3 4.23Å; L328-W332 HydrophobicContact CB-CG 4.01Å; L328-W332 HydrophobicContact CD1-CD2 4.24Å; L328-W332 HydrophobicContact CD1-CG 4.3Å; L328-W332 PolarHBondContact N-O 2.78Å; L328-H333 VanDerWaalsContact CD1-C 3.49Å; L328-H333 WeakPolarHBondContact CD1-O 3.12Å; L328-M350 HydrophobicContact CD2-SD 3.96Å; L328-L352 HydrophobicContact CD1-CB 3.89Å; L328-L352 HydrophobicContact CD1-CD2 3.54Å; L328-L352 HydrophobicContact CD1-CG 4.2Å; L328-L352 HydrophobicContact CD2-CD2 3.92Å; L328-L352 HydrophobicContact CG-CD2 4.39Å
329G93.9Very high95.5Very high11 Ų1139.2 Ų39.211%0.11321%0.214CC..EExtended strand (participates in β ladder)trans173-172179.200000111.8E331 W332G329-E331 PolarHBondContact O-N 2.97Å; G329-W332 PolarHBondContact N-O 2.76Å; G329-W332 VanDerWaalsContact N-O 3.14Å; G329-W332 PolarHBondContact O-N 3.46Å; G329-W332 VanDerWaalsContact O-N 3.16Å
330P91.9Very high94.4Very high123 Ų12336.4 Ų36.480%0.79920%0.203SC*.THydrogen-bonded Turntrans-59.9121.4172.9-20.933.2000110.6W332P330-W332 PolarHBondContact O-N 3.17Å; P330-W332 VanDerWaalsContact O-N 3.16Å
331E92.1Very high92.8Very high125 Ų12536.6 Ų36.658%0.58421%0.208SC*.THydrogen-bonded Turntrans51.732.5-174.8-56.5-167.1159.400113.9G329 G356G329-E331 PolarHBondContact O-N 2.97Å; E331-G356 CarbonylContact O-C 3.6Å; E331-G356 VanDerWaalsContact O-C 3.28Å; E331-G356 WeakPolarHBondContact O-CA 3.31Å; E331-G356 PolarHBondContact O-N 3.34Å
332W96.1Very high91.1Very high6 Ų638.1 Ų38.12%0.02322%0.215CC..EExtended strand (participates in β ladder)trans-137.1125.5176.5-167.419.3000110.9F234 K245 I247 L268 L328 G329 P330 L352 F353 P355F234-W332 HydrophobicContact CB-CH2 4.15Å; F234-W332 HydrophobicContact CB-CZ2 4.33Å; K245-W332 HydrophobicContact CB-CE3 4.16Å; K245-W332 HydrophobicContact CB-CH2 4.39Å; K245-W332 HydrophobicContact CB-CZ3 3.75Å; I247-W332 HydrophobicContact CG2-CE3 4.36Å; I247-W332 HydrophobicContact CG2-CH2 3.64Å; I247-W332 HydrophobicContact CG2-CZ2 4.14Å; I247-W332 HydrophobicContact CG2-CZ3 3.75Å; L268-W332 HydrophobicContact CD1-CZ2 4.31Å; L328-W332 HydrophobicContact CB-CB 4.35Å; L328-W332 HydrophobicContact CB-CD2 3.97Å; L328-W332 HydrophobicContact CB-CE3 4.23Å; L328-W332 HydrophobicContact CB-CG 4.01Å; L328-W332 HydrophobicContact CD1-CD2 4.24Å; L328-W332 HydrophobicContact CD1-CG 4.3Å; L328-W332 PolarHBondContact N-O 2.78Å; G329-W332 PolarHBondContact N-O 2.76Å; G329-W332 VanDerWaalsContact N-O 3.14Å; G329-W332 PolarHBondContact O-N 3.46Å; G329-W332 VanDerWaalsContact O-N 3.16Å; P330-W332 PolarHBondContact O-N 3.17Å; P330-W332 VanDerWaalsContact O-N 3.16Å; W332-L352 HydrophobicContact CZ2-CD1 4.38Å; W332-F353 PolarHBondContact NE1-O 2.93Å; W332-P355 HydrophobicContact CD2-CB 4.48Å; W332-P355 HydrophobicContact CD2-CG 4.11Å; W332-P355 HydrophobicContact CG-CB 4.16Å; W332-P355 HydrophobicContact CG-CG 4.2Å; W332-P355 HydrophobicContact CZ2-CG 4.23Å
333H98Very high89.4Confident21 Ų2146.4 Ų46.410%0.09725%0.249CC..EExtended strand (participates in β ladder)trans-133.1159.9-174.2-61.383.4000110.9I325 V326 L328 F353 M366I325-H333 HydrophobicContact CG2-CB 4.48Å; V326-H333 CarbonylContact O-C 3.53Å; V326-H333 VanDerWaalsContact O-CA 3.22Å; V326-H333 WeakPolarHBondContact O-CA 3.36Å; L328-H333 VanDerWaalsContact CD1-C 3.49Å; L328-H333 WeakPolarHBondContact CD1-O 3.12Å; H333-F353 HydrophobicContact CB-CD2 4.32Å; H333-F353 VanDerWaalsContact O-CB 3.29Å; H333-F353 WeakPolarHBondContact O-CB 3.44Å; H333-F353 WeakPolarHBondContact O-CD2 3.39Å; H333-F353 PolarHBondContact O-N 3.46Å; H333-F353 VanDerWaalsContact O-N 3.1Å; H333-M366 HydrophobicContact CB-CE 4.05Å; H333-M366 HydrophobicContact CB-CG 4.49Å
334G97.9Very high87.5Confident0 Ų056.2 Ų56.20%029%0.292CS..EExtended strand (participates in β ladder)trans-141.6-169.8171.800000110.7V326 S351V326-G334 PolarHBondContact N-O 2.92Å; V326-G334 PolarHBondContact O-N 3.35Å; G334-S351 CarbonylContact C-O 3.52Å; G334-S351 WeakPolarHBondContact CA-O 3.46Å
335M98Very high86.4Confident14 Ų1461.7 Ų61.77%0.06932%0.316CS..EExtended strand (participates in β ladder)trans-136140.9174.762.4175.8-173.700111.7I262 P265 V267 V323 A324 I325 Y337 M350 S351 F353I262-M335 HydrophobicContact CG1-SD 3.8Å; P265-M335 HydrophobicContact CG-CE 3.53Å; P265-M335 HydrophobicContact CG-SD 3.84Å; V267-M335 HydrophobicContact CG1-CE 4.27Å; V323-M335 HydrophobicContact CB-CB 4.36Å; V323-M335 HydrophobicContact CG1-SD 4.39Å; V323-M335 HydrophobicContact CG2-CB 4.37Å; A324-M335 CarbonylContact O-C 3.28Å; A324-M335 VanDerWaalsContact O-CA 3.27Å; A324-M335 WeakPolarHBondContact O-CA 3.45Å; I325-M335 HydrophobicContact CD1-CB 4.29Å; M335-Y337 HydrophobicContact CE-CD1 4.07Å; M335-Y337 HydrophobicContact CE-CE1 3.96Å; M335-Y337 HydrophobicContact CG-CD1 4.03Å; M335-Y337 HydrophobicContact CG-CE1 4.36Å; M335-Y337 HydrophobicContact SD-CD1 4.4Å; M335-M350 CarbonylContact O-C 3.55Å; M335-M350 VanDerWaalsContact O-CA 3.27Å; M335-M350 WeakPolarHBondContact O-CA 3.14Å; M335-S351 PolarHBondContact N-O 3.4Å; M335-S351 PolarHBondContact O-N 3.22Å; M335-F353 HydrophobicContact CB-CE2 4.35Å; M335-F353 HydrophobicContact CB-CZ 3.8Å; M335-F353 HydrophobicContact CE-CE1 4.4Å; M335-F353 HydrophobicContact CG-CE1 3.99Å; M335-F353 HydrophobicContact CG-CZ 3.67Å; M335-F353 HydrophobicContact SD-CE1 4.03Å; M335-F353 HydrophobicContact SD-CZ 3.85Å
336L98.3Very high85.7Confident0 Ų062.2 Ų62.20%032%0.32CS..EExtended strand (participates in β ladder)trans-98.6136.6166.4-71.3161.9000109.7L216 I253 V273 L313 L317 V323 A324 V326 L348 M349 M350L216-L336 HydrophobicContact CD1-CD1 3.48Å; L216-L336 VanDerWaalsContact CD1-CD1 3.48Å; L216-L336 HydrophobicContact CD2-CD1 4.27Å; I253-L336 HydrophobicContact CD1-CD1 3.99Å; I253-L336 HydrophobicContact CG1-CD1 4.09Å; V273-L336 HydrophobicContact CB-CD2 4.3Å; V273-L336 HydrophobicContact CG2-CD2 3.73Å; L313-L336 HydrophobicContact CD2-CD1 4.12Å; L317-L336 HydrophobicContact CD1-CB 4.37Å; V323-L336 CarbonylContact C-O 3.59Å; V323-L336 VanDerWaalsContact CA-O 3.28Å; V323-L336 WeakPolarHBondContact CA-O 3.32Å; V323-L336 WeakPolarHBondContact CB-O 3.25Å; A324-L336 HydrophobicContact CB-CB 4.21Å; A324-L336 PolarHBondContact N-O 3.1Å; A324-L336 PolarHBondContact O-N 3.38Å; V326-L336 HydrophobicContact CG2-CB 4.39Å; V326-L336 HydrophobicContact CG2-CD1 3.33Å; V326-L336 HydrophobicContact CG2-CG 3.56Å; L336-L348 HydrophobicContact CB-CD1 4.24Å; L336-L348 HydrophobicContact CD2-CD1 4.37Å; L336-L348 HydrophobicContact CD2-CD2 4.3Å; L336-L348 HydrophobicContact CD2-CG 4.11Å; L336-M349 CarbonylContact C-O 3.31Å; L336-M349 VanDerWaalsContact CA-O 3.23Å; L336-M349 WeakPolarHBondContact CA-O 3.44Å; L336-M350 HydrophobicContact CD2-CB 3.66Å; L336-M350 HydrophobicContact CD2-CG 4.13Å; L336-M350 HydrophobicContact CD2-SD 4.49Å
337Y96.3Very high85.3Confident19 Ų1964.5 Ų64.58%0.07533%0.332CS..EExtended strand (participates in β ladder)trans-152.7161.4-178.359.5-80.5000111M335 Q339 M349 S351M335-Y337 HydrophobicContact CE-CD1 4.07Å; M335-Y337 HydrophobicContact CE-CE1 3.96Å; M335-Y337 HydrophobicContact CG-CD1 4.03Å; M335-Y337 HydrophobicContact CG-CE1 4.36Å; M335-Y337 HydrophobicContact SD-CD1 4.4Å; Y337-Q339 HydrophobicContact CD2-CB 4.29Å; Y337-Q339 HydrophobicContact CE2-CB 3.96Å; Y337-M349 HydrophobicContact CE1-CB 4.25Å; Y337-M349 HydrophobicContact CE2-CB 4.12Å; Y337-M349 PolarHBondContact N-O 3.07Å; Y337-M349 PolarHBondContact O-N 3.48Å; Y337-S351 VanDerWaalsContact CE1-OG 3.24Å; Y337-S351 WeakPolarHBondContact CE1-OG 3.28Å; Y337-S351 PolarHBondContact OH-OG 2.88Å
338S93.6Very high85.2Confident22 Ų2261.1 Ų61.115%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-83.6122.6172.4-166.40000109.3H314 K318 S346H314-S338 PolarHBondContact CD2-OG 2.85Å; H314-S338 VanDerWaalsContact CD2-OG 3.29Å; H314-S338 PolarHBondContact NE2-OG 2.75Å; K318-S338 WeakPolarHBondContact CB-OG 3.32Å; S338-S346 PolarHBondContact OG-OG 2.92Å
339Q82.3Confident85.1Confident79 Ų7962.6 Ų62.637%0.36932%0.324SS..EExtended strand (participates in β ladder)trans-115.6124.8173.1-178.266.615.900110Y337 D341 S346 N347 M349Y337-Q339 HydrophobicContact CD2-CB 4.29Å; Y337-Q339 HydrophobicContact CE2-CB 3.96Å; Q339-D341 PolarHBondContact O-N 2.9Å; Q339-S346 WeakPolarHBondContact O-CA 3.5Å; Q339-S346 WeakPolarHBondContact O-CB 3.27Å; Q339-S346 PolarHBondContact O-OG 2.95Å; Q339-S346 VanDerWaalsContact O-OG 3.05Å; Q339-N347 PolarHBondContact N-O 2.98Å; Q339-N347 VanDerWaalsContact N-O 3.12Å; Q339-N347 PolarHBondContact O-N 2.86Å; Q339-N347 VanDerWaalsContact O-N 3.15Å; Q339-M349 HydrophobicContact CB-CB 4.33Å; Q339-M349 HydrophobicContact CB-CG 3.85Å; Q339-M349 HydrophobicContact CB-SD 3.27Å; Q339-M349 WeakPolarHBondContact CB-SD 3.46Å; Q339-M349 HydrophobicContact CG-SD 3.49Å; Q339-M349 WeakPolarHBondContact CG-SD 3.44Å
340A72.8Confident85.3Confident57 Ų5762.1 Ų62.147%0.47132%0.318SS..EExtended strand (participates in β ladder)trans-81.3114.316900000109.9
341D60.4Low85.5Confident128 Ų12856.2 Ų56.268%0.68428%0.28SS*.SBendtrans-75.8-33.5170.3-169.87.9000109.9Q339 K345Q339-D341 PolarHBondContact O-N 2.9Å; D341-K345 PolarHBondContact N-O 2.77Å
342S58.3Low85.7Confident60 Ų6050.4 Ų50.442%0.4225%0.253SS..SBendtrans-146.6176.3172.267.90000111.1K344 K345S342-K344 PolarHBondContact O-N 3.44Å; S342-K344 PolarHBondContact OG-N 3.4Å; S342-K345 PolarHBondContact N-O 2.85Å; S342-K345 PolarHBondContact O-N 2.84Å; S342-K345 PolarHBondContact OG-N 3.04Å
343K61.8Low85.7Confident222 Ų22250.1 Ų50.197%0.96525%0.252SS*.SBendtrans-54.8-20.5173-67.5-174.5-179.9-179.80113.6
344K57.4Low85.5Confident209 Ų20953.6 Ų53.691%0.90927%0.268SS*.SBendtrans-112.6-24.2-174.4-66.9-173.9179.2-178.10114.7S342S342-K344 PolarHBondContact O-N 3.44Å; S342-K344 PolarHBondContact OG-N 3.4Å
345K75.5Confident85.2Confident115 Ų11554.5 Ų54.550%0.527%0.274SS..  trans-120.9122.6-174.4-164.1175.9-179.2-179.10110.3D341 S342D341-K345 PolarHBondContact N-O 2.77Å; S342-K345 PolarHBondContact N-O 2.85Å; S342-K345 PolarHBondContact O-N 2.84Å; S342-K345 PolarHBondContact OG-N 3.04Å
346S83.9Confident84.9Confident16 Ų1654.6 Ų54.611%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-130.9141.3170.6170.10000108.4H314 S338 Q339H314-S346 PolarHBondContact CE1-O 2.85Å; H314-S346 PolarHBondContact NE2-O 2.83Å; H314-S346 PolarHBondContact NE2-OG 3.21Å; S338-S346 PolarHBondContact OG-OG 2.92Å; Q339-S346 WeakPolarHBondContact O-CA 3.5Å; Q339-S346 WeakPolarHBondContact O-CB 3.27Å; Q339-S346 PolarHBondContact O-OG 2.95Å; Q339-S346 VanDerWaalsContact O-OG 3.05Å
347N89.1Confident84.7Confident49 Ų4957.4 Ų57.426%0.26230%0.297SS..EExtended strand (participates in β ladder)trans-129.3163.3178.5-80.3-36.4000110.3L272 H314 Q339L272-N347 HydrophobicContact CD2-CB 3.63Å; H314-N347 PolarHBondContact CD2-O 2.81Å; H314-N347 PolarHBondContact NE2-N 2.86Å; Q339-N347 PolarHBondContact N-O 2.98Å; Q339-N347 VanDerWaalsContact N-O 3.12Å; Q339-N347 PolarHBondContact O-N 2.86Å; Q339-N347 VanDerWaalsContact O-N 3.15Å
348L95.4Very high84.6Confident7 Ų761 Ų614%0.03732%0.315CS..EExtended strand (participates in β ladder)trans-71.7127.7169.6-170.363.1000109.1L216 V273 C310 L313 H314 L317 L336L216-L348 HydrophobicContact CD2-CD2 4.06Å; V273-L348 HydrophobicContact CB-CD2 4.12Å; V273-L348 HydrophobicContact CB-CG 4.21Å; V273-L348 HydrophobicContact CG1-CD2 4.12Å; V273-L348 PolarHBondContact N-O 3.13Å; C310-L348 HydrophobicContact CB-CD2 4.38Å; L313-L348 HydrophobicContact CD2-CD1 4.44Å; L313-L348 HydrophobicContact CD2-CD2 4.12Å; H314-L348 HydrophobicContact CB-CB 4.2Å; H314-L348 HydrophobicContact CB-CD1 4.39Å; H314-L348 PolarHBondContact CD2-N 3.1Å; L317-L348 HydrophobicContact CD1-CD1 3.92Å; L336-L348 HydrophobicContact CB-CD1 4.24Å; L336-L348 HydrophobicContact CD2-CD1 4.37Å; L336-L348 HydrophobicContact CD2-CD2 4.3Å; L336-L348 HydrophobicContact CD2-CG 4.11Å
349M94.4Very high84.7Confident32 Ų3261.1 Ų61.116%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-125.3148175.9-69.7-168.570.400110.3R270 H271 L272 L336 Y337 Q339R270-M349 HydrophobicContact CB-CE 3.95Å; H271-M349 CarbonylContact O-C 3.57Å; H271-M349 VanDerWaalsContact O-CA 3.22Å; H271-M349 WeakPolarHBondContact O-CA 3.27Å; L272-M349 HydrophobicContact CD2-CG 3.72Å; L272-M349 HydrophobicContact CD2-SD 4.32Å; L272-M349 HydrophobicContact CG-CG 4.43Å; L336-M349 CarbonylContact C-O 3.31Å; L336-M349 VanDerWaalsContact CA-O 3.23Å; L336-M349 WeakPolarHBondContact CA-O 3.44Å; Y337-M349 HydrophobicContact CE1-CB 4.25Å; Y337-M349 HydrophobicContact CE2-CB 4.12Å; Y337-M349 PolarHBondContact N-O 3.07Å; Y337-M349 PolarHBondContact O-N 3.48Å; Q339-M349 HydrophobicContact CB-CB 4.33Å; Q339-M349 HydrophobicContact CB-CG 3.85Å; Q339-M349 HydrophobicContact CB-SD 3.27Å; Q339-M349 WeakPolarHBondContact CB-SD 3.46Å; Q339-M349 HydrophobicContact CG-SD 3.49Å; Q339-M349 WeakPolarHBondContact CG-SD 3.44Å
350M97.2Very high85.4Confident0 Ų057.4 Ų57.40%030%0.297CS..EExtended strand (participates in β ladder)trans-112.9136.6171.8-173.4167.658.400109.3V227 I247 L251 R270 H271 V273 L328 M335 L336 L352V227-M350 HydrophobicContact CB-CE 4.47Å; V227-M350 HydrophobicContact CG1-CE 3.57Å; V227-M350 HydrophobicContact CG2-CE 3.99Å; I247-M350 HydrophobicContact CD1-CE 4.13Å; L251-M350 HydrophobicContact CD1-CE 4.2Å; L251-M350 HydrophobicContact CD1-SD 4.2Å; R270-M350 CarbonylContact C-O 3.53Å; R270-M350 WeakPolarHBondContact CA-O 3.41Å; H271-M350 PolarHBondContact N-O 3.4Å; H271-M350 PolarHBondContact O-N 3.29Å; V273-M350 HydrophobicContact CG2-CB 3.65Å; L328-M350 HydrophobicContact CD2-SD 3.96Å; M335-M350 CarbonylContact O-C 3.55Å; M335-M350 VanDerWaalsContact O-CA 3.27Å; M335-M350 WeakPolarHBondContact O-CA 3.14Å; L336-M350 HydrophobicContact CD2-CB 3.66Å; L336-M350 HydrophobicContact CD2-CG 4.13Å; L336-M350 HydrophobicContact CD2-SD 4.49Å; M350-L352 HydrophobicContact CE-CD2 4.01Å; M350-L352 HydrophobicContact CG-CD2 4.05Å; M350-L352 HydrophobicContact SD-CD2 4.21Å
351S96.3Very high86.6Confident0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-118141.7166.2-74.20000110.1S269 R270 G334 M335 Y337S269-S351 WeakPolarHBondContact O-CA 3.25Å; R270-S351 WeakPolarHBondContact CG-OG 3.24Å; G334-S351 CarbonylContact C-O 3.52Å; G334-S351 WeakPolarHBondContact CA-O 3.46Å; M335-S351 PolarHBondContact N-O 3.4Å; M335-S351 PolarHBondContact O-N 3.22Å; Y337-S351 VanDerWaalsContact CE1-OG 3.24Å; Y337-S351 WeakPolarHBondContact CE1-OG 3.28Å; Y337-S351 PolarHBondContact OH-OG 2.88Å
352L96.4Very high88.3Confident3 Ų355.9 Ų55.92%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-97.9130179.1-41.2-176.1000109.1P231 I247 V267 L268 S269 L328 W332 M350P231-L352 HydrophobicContact CB-CD1 4.17Å; I247-L352 HydrophobicContact CG2-CD1 4.09Å; V267-L352 CarbonylContact C-O 3.5Å; V267-L352 VanDerWaalsContact CA-O 3.26Å; V267-L352 WeakPolarHBondContact CA-O 3.49Å; V267-L352 WeakPolarHBondContact CB-O 3.47Å; L268-L352 HydrophobicContact CB-CB 4.47Å; L268-L352 PolarHBondContact N-O 2.9Å; S269-L352 PolarHBondContact O-N 3.17Å; S269-L352 VanDerWaalsContact O-N 3.16Å; S269-L352 WeakPolarHBondContact OG-CD1 3.25Å; L328-L352 HydrophobicContact CD1-CB 3.89Å; L328-L352 HydrophobicContact CD1-CD2 3.54Å; L328-L352 HydrophobicContact CD1-CG 4.2Å; L328-L352 HydrophobicContact CD2-CD2 3.92Å; L328-L352 HydrophobicContact CG-CD2 4.39Å; W332-L352 HydrophobicContact CZ2-CD1 4.38Å; M350-L352 HydrophobicContact CE-CD2 4.01Å; M350-L352 HydrophobicContact CG-CD2 4.05Å; M350-L352 HydrophobicContact SD-CD2 4.21Å
353F96.1Very high90.2Very high0 Ų053.2 Ų53.20%026%0.262CS..PPolyproline II helixtrans-80.6168170.9-56.4-45.9000110.7I262 P265 V267 I325 W332 H333 M335 P359 L360I262-F353 HydrophobicContact CD1-CZ 4.2Å; P265-F353 HydrophobicContact CB-CD1 4.34Å; P265-F353 HydrophobicContact CB-CE1 3.77Å; P265-F353 HydrophobicContact CG-CE1 3.65Å; P265-F353 HydrophobicContact CG-CZ 4.33Å; V267-F353 HydrophobicContact CG1-CD1 3.9Å; V267-F353 HydrophobicContact CG1-CE1 3.97Å; I325-F353 HydrophobicContact CD1-CE2 4.49Å; W332-F353 PolarHBondContact NE1-O 2.93Å; H333-F353 HydrophobicContact CB-CD2 4.32Å; H333-F353 VanDerWaalsContact O-CB 3.29Å; H333-F353 WeakPolarHBondContact O-CB 3.44Å; H333-F353 WeakPolarHBondContact O-CD2 3.39Å; H333-F353 PolarHBondContact O-N 3.46Å; H333-F353 VanDerWaalsContact O-N 3.1Å; M335-F353 HydrophobicContact CB-CE2 4.35Å; M335-F353 HydrophobicContact CB-CZ 3.8Å; M335-F353 HydrophobicContact CE-CE1 4.4Å; M335-F353 HydrophobicContact CG-CE1 3.99Å; M335-F353 HydrophobicContact CG-CZ 3.67Å; M335-F353 HydrophobicContact SD-CE1 4.03Å; M335-F353 HydrophobicContact SD-CZ 3.85Å; F353-P359 HydrophobicContact CB-CB 3.85Å; F353-P359 HydrophobicContact CB-CG 4.19Å; F353-P359 HydrophobicContact CD2-CG 4.35Å; F353-P359 HydrophobicContact CG-CB 4.49Å; F353-L360 HydrophobicContact CD1-CD1 4.46Å; F353-L360 HydrophobicContact CE1-CD1 4.04Å; F353-L360 HydrophobicContact CE2-CD1 4.21Å; F353-L360 HydrophobicContact CZ-CD1 3.89Å
354E93.3Very high91.9Very high93 Ų9342.8 Ų42.844%0.43522%0.218SC..PPolyproline II helixtrans-55.3134166.4-166.163.6-150.200109.9F234 L268 G356F234-E354 WeakPolarHBondContact CZ-OE1 3.19Å; L268-E354 VanDerWaalsContact CD2-OE2 3.24Å; L268-E354 WeakPolarHBondContact CD2-OE2 3.36Å; E354-G356 PolarHBondContact O-N 3.43Å
355P92.8Very high93.8Very high19 Ų1937.6 Ų37.612%0.12320%0.195CC..SBendtrans-60.3134.8173.1-23.333000111.4F234 K245 W332F234-P355 HydrophobicContact CD1-CG 3.51Å; F234-P355 HydrophobicContact CE1-CG 3.78Å; F234-P355 HydrophobicContact CG-CG 4.17Å; K245-P355 HydrophobicContact CD-CB 4.21Å; K245-P355 HydrophobicContact CD-CG 4.48Å; W332-P355 HydrophobicContact CD2-CB 4.48Å; W332-P355 HydrophobicContact CD2-CG 4.11Å; W332-P355 HydrophobicContact CG-CB 4.16Å; W332-P355 HydrophobicContact CG-CG 4.2Å; W332-P355 HydrophobicContact CZ2-CG 4.23Å
356G91.8Very high94.8Very high16 Ų1632.7 Ų32.717%0.16517%0.174CC..SBendtrans146.7168178.500000112.8E331 E354 E358E331-G356 CarbonylContact O-C 3.6Å; E331-G356 VanDerWaalsContact O-C 3.28Å; E331-G356 WeakPolarHBondContact O-CA 3.31Å; E331-G356 PolarHBondContact O-N 3.34Å; E354-G356 PolarHBondContact O-N 3.43Å; G356-E358 PolarHBondContact O-N 2.83Å
357P93.4Very high95.4Very high60 Ų6036.5 Ų36.539%0.3921%0.207SC..SBendtrans-74.6-24.3-175.228.7-35.6000113.7K365 M366P357-K365 CarbonylContact O-C 3.54Å; P357-K365 VanDerWaalsContact O-CA 3.28Å; P357-K365 WeakPolarHBondContact O-CA 3.35Å; P357-M366 PolarHBondContact O-N 3.09Å
358E95.4Very high95.8Very high95 Ų9541.2 Ų41.244%0.44423%0.227SC..  trans-136.566.2-174.5-173.2167-157.600110.5G356 L360 G364 K365G356-E358 PolarHBondContact O-N 2.83Å; E358-L360 VanDerWaalsContact C-N 3.26Å; E358-L360 PolarHBondContact O-N 3.31Å; E358-G364 WeakPolarHBondContact OE1-CA 3.33Å; E358-K365 HydrophobicContact CB-CG 4.31Å
359P94.9Very high95.9Very high23 Ų2344 Ų4415%0.14924%0.241CC..SBendtrans-66.2-30.9-179.126.4-32.5000112.2F353 M366F353-P359 HydrophobicContact CB-CB 3.85Å; F353-P359 HydrophobicContact CB-CG 4.19Å; F353-P359 HydrophobicContact CD2-CG 4.35Å; F353-P359 HydrophobicContact CG-CB 4.49Å; P359-M366 HydrophobicContact CG-CG 3.91Å; P359-M366 HydrophobicContact CG-SD 4.13Å
360L97.3Very high96Very high1 Ų145.2 Ų45.21%0.00526%0.262CS..  trans-122.7104.1-175.7-55.5179.8000109.9I262 P265 P266 F353 E358 W362 L363 G364I262-L360 HydrophobicContact CD1-CD1 3.82Å; P265-L360 HydrophobicContact CB-CD1 3.73Å; P265-L360 HydrophobicContact CB-CD2 3.45Å; P265-L360 VanDerWaalsContact CB-CD2 3.45Å; P265-L360 HydrophobicContact CB-CG 4.26Å; P265-L360 HydrophobicContact CG-CD1 4.49Å; P266-L360 HydrophobicContact CG-CD2 4.43Å; F353-L360 HydrophobicContact CD1-CD1 4.46Å; F353-L360 HydrophobicContact CE1-CD1 4.04Å; F353-L360 HydrophobicContact CE2-CD1 4.21Å; F353-L360 HydrophobicContact CZ-CD1 3.89Å; E358-L360 VanDerWaalsContact C-N 3.26Å; E358-L360 PolarHBondContact O-N 3.31Å; L360-W362 HydrophobicContact CB-CD2 4.45Å; L360-W362 HydrophobicContact CB-CZ2 4.25Å; L360-W362 HydrophobicContact CD1-CZ2 4.42Å; L360-W362 HydrophobicContact CD2-CH2 3.87Å; L360-W362 HydrophobicContact CD2-CZ2 3.81Å; L360-W362 HydrophobicContact CG-CZ2 4.38Å; L360-W362 PolarHBondContact O-N 2.85Å; L360-W362 VanDerWaalsContact O-N 3.08Å; L360-L363 HydrophobicContact CB-CB 4.31Å; L360-L363 HydrophobicContact CB-CD1 3.92Å; L360-L363 HydrophobicContact CD1-CD1 3.94Å; L360-L363 HydrophobicContact CD1-CD2 4.37Å; L360-L363 PolarHBondContact O-N 3.15Å; L360-G364 PolarHBondContact O-N 3.3Å
361P96.9Very high96Very high84 Ų8448.8 Ų48.855%0.54529%0.286SS..THydrogen-bonded Turntrans-59.7-26.1-175.3-27.835.3000114.8L363P361-L363 VanDerWaalsContact C-N 3.33Å
362W97.7Very high96Very high70 Ų7053.3 Ų53.327%0.26531%0.309SS..THydrogen-bonded Turntrans-81-11.6178.258.595.8000113.6D261 I262 P265 L360 F389 P390 L391D261-W362 PolarHBondContact O-NE1 3.25Å; I262-W362 PolarHBondContact O-NE1 3.05Å; P265-W362 HydrophobicContact CB-CZ2 4.2Å; L360-W362 HydrophobicContact CB-CD2 4.45Å; L360-W362 HydrophobicContact CB-CZ2 4.25Å; L360-W362 HydrophobicContact CD1-CZ2 4.42Å; L360-W362 HydrophobicContact CD2-CH2 3.87Å; L360-W362 HydrophobicContact CD2-CZ2 3.81Å; L360-W362 HydrophobicContact CG-CZ2 4.38Å; L360-W362 PolarHBondContact O-N 2.85Å; L360-W362 VanDerWaalsContact O-N 3.08Å; W362-F389 WeakPolarHBondContact O-CD1 3.31Å; W362-P390 HydrophobicContact CB-CB 3.75Å; W362-L391 WeakPolarHBondContact O-CB 3.27Å; W362-L391 WeakPolarHBondContact O-CG 3.5Å; W362-L391 PolarHBondContact O-N 3.02Å
363L97.6Very high96Very high3 Ų357.7 Ų57.72%0.01634%0.34CS..THydrogen-bonded Turntrans-97.7-24.1168.1-80.978.4000111.5I257 I262 L360 P361 M366 L369 F389 L391I257-L363 HydrophobicContact CD1-CD2 3.35Å; I257-L363 HydrophobicContact CD1-CG 4.36Å; I262-L363 HydrophobicContact CD1-CD1 4.16Å; I262-L363 HydrophobicContact CD1-CD2 3.73Å; L360-L363 HydrophobicContact CB-CB 4.31Å; L360-L363 HydrophobicContact CB-CD1 3.92Å; L360-L363 HydrophobicContact CD1-CD1 3.94Å; L360-L363 HydrophobicContact CD1-CD2 4.37Å; L360-L363 PolarHBondContact O-N 3.15Å; P361-L363 VanDerWaalsContact C-N 3.33Å; L363-M366 HydrophobicContact CD2-SD 4.48Å; L363-L369 HydrophobicContact CD2-CD1 4.24Å; L363-F389 HydrophobicContact CB-CE1 4.43Å; L363-F389 HydrophobicContact CG-CE1 4.34Å; L363-L391 WeakPolarHBondContact O-CD1 3.45Å
364G96.8Very high96Very high4 Ų463.9 Ų63.94%0.04137%0.373CS..  trans77.7-154-174.300000111.6E358 L360 M366E358-G364 WeakPolarHBondContact OE1-CA 3.33Å; L360-G364 PolarHBondContact O-N 3.3Å; G364-M366 PolarHBondContact O-N 2.96Å
365K97.4Very high96Very high100 Ų10061.8 Ų61.844%0.43537%0.371SS..  trans-71.7124-178-63.4-177.2-180-170.30110.6P357 E358 A367 Q368P357-K365 CarbonylContact O-C 3.54Å; P357-K365 VanDerWaalsContact O-CA 3.28Å; P357-K365 WeakPolarHBondContact O-CA 3.35Å; E358-K365 HydrophobicContact CB-CG 4.31Å; K365-A367 PolarHBondContact O-N 3.37Å; K365-Q368 HydrophobicContact CB-CB 4.29Å; K365-Q368 HydrophobicContact CB-CG 4.02Å; K365-Q368 WeakPolarHBondContact O-CB 3.46Å; K365-Q368 PolarHBondContact O-N 3.28Å
366M97.1Very high96.1Very high11 Ų1171 Ų715%0.05441%0.41CS..G310 helixtrans-57-38.1-178.3-60.3-57.8-69.100112.1I325 H333 P357 P359 L363 G364 Q368 L369I325-M366 HydrophobicContact CG2-CE 3.6Å; H333-M366 HydrophobicContact CB-CE 4.05Å; H333-M366 HydrophobicContact CB-CG 4.49Å; P357-M366 PolarHBondContact O-N 3.09Å; P359-M366 HydrophobicContact CG-CG 3.91Å; P359-M366 HydrophobicContact CG-SD 4.13Å; L363-M366 HydrophobicContact CD2-SD 4.48Å; G364-M366 PolarHBondContact O-N 2.96Å; M366-Q368 PolarHBondContact O-N 2.78Å; M366-L369 HydrophobicContact CE-CD1 4.01Å; M366-L369 WeakPolarHBondContact O-CB 3Å; M366-L369 PolarHBondContact O-N 3.22Å; M366-L369 HydrophobicContact SD-CD1 4.02Å
367A96.8Very high96.3Very high97 Ų9778.2 Ų78.280%0.80244%0.439SS*.G310 helixtrans-67.9-12.1177.900000114.7K365K365-A367 PolarHBondContact O-N 3.37Å
368Q97.1Very high96.4Very high148 Ų14879 Ų7969%0.69244%0.44SS*.G310 helixtrans-100.2-2.1177.4-64.9-176.3-24.700112.7K365 M366 G370K365-Q368 HydrophobicContact CB-CB 4.29Å; K365-Q368 HydrophobicContact CB-CG 4.02Å; K365-Q368 WeakPolarHBondContact O-CB 3.46Å; K365-Q368 PolarHBondContact O-N 3.28Å; M366-Q368 PolarHBondContact O-N 2.78Å; Q368-G370 PolarHBondContact O-N 3.37Å
369L97.3Very high96.3Very high64 Ų6476.6 Ų76.634%0.33543%0.432SS..  trans-73.7115.5170.5-60.4178.3000108.2I257 L363 M366 F389I257-L369 HydrophobicContact CD1-CD1 4.3Å; L363-L369 HydrophobicContact CD2-CD1 4.24Å; M366-L369 HydrophobicContact CE-CD1 4.01Å; M366-L369 WeakPolarHBondContact O-CB 3Å; M366-L369 PolarHBondContact O-N 3.22Å; M366-L369 HydrophobicContact SD-CD1 4.02Å; L369-F389 HydrophobicContact CD2-CE1 4.16Å; L369-F389 HydrophobicContact CD2-CZ 3.81Å
370G96.5Very high96.3Very high58 Ų5877.1 Ų77.160%0.59843%0.432SS*.  trans-117166.4-178.900000112.2Q368Q368-G370 PolarHBondContact O-N 3.37Å
371P97.3Very high96.2Very high76 Ų7677.6 Ų77.649%0.49444%0.437SS..  trans-67.7145.8176.430.6-34.9000110.7S373 D374P371-S373 PolarHBondContact O-N 3.04Å; P371-S373 VanDerWaalsContact O-N 3.08Å; P371-D374 HydrophobicContact CG-CB 4.39Å; P371-D374 WeakPolarHBondContact CG-OD2 3.49Å; P371-D374 PolarHBondContact O-N 3.29Å; P371-D374 VanDerWaalsContact O-N 3.09Å
372I95.9Very high95.8Very high94 Ų9483 Ų8348%0.48246%0.455SS..G310 helixtrans-60.4-20.6177.660.8172.4000113.1D374 A375 P379 Y380I372-D374 PolarHBondContact O-N 3.12Å; I372-A375 WeakPolarHBondContact O-CB 3.43Å; I372-A375 PolarHBondContact O-N 2.85Å; I372-P379 HydrophobicContact CG2-CG 4.07Å; I372-Y380 HydrophobicContact CG2-CD2 4.15Å; I372-Y380 HydrophobicContact CG2-CE2 4.07Å
373S96.1Very high95.6Very high95 Ų9586 Ų8666%0.66448%0.476SS*.G310 helixtrans-63.6-26.8176.155.90000113.6P371 A375P371-S373 PolarHBondContact O-N 3.04Å; P371-S373 VanDerWaalsContact O-N 3.08Å; S373-A375 VanDerWaalsContact C-N 3.34Å
374D96.1Very high95.3Very high131 Ų13191.2 Ų91.270%0.70150%0.504SS*.G310 helixtrans-87.9-12-178.5-64.4-2.8000111.5P371 I372P371-D374 HydrophobicContact CG-CB 4.39Å; P371-D374 WeakPolarHBondContact CG-OD2 3.49Å; P371-D374 PolarHBondContact O-N 3.29Å; P371-D374 VanDerWaalsContact O-N 3.09Å; I372-D374 PolarHBondContact O-N 3.12Å
375A94.9Very high95.1Very high48 Ų4896 Ų9640%0.39753%0.529SS..SBendtrans-76.9148174.500000110.8I372 S373 E377I372-A375 WeakPolarHBondContact O-CB 3.43Å; I372-A375 PolarHBondContact O-N 2.85Å; S373-A375 VanDerWaalsContact C-N 3.34Å; A375-E377 VanDerWaalsContact C-N 3.27Å; A375-E377 WeakPolarHBondContact CB-O 3.35Å; A375-E377 PolarHBondContact O-N 3.38Å
376K94.6Very high94.9Very high214 Ų21498.1 Ų98.193%0.9354%0.538SS*.SBendtrans-65.7-32.7177-67.8179.8179.4177.90112.7
377E94.8Very high94.9Very high167 Ų16799.6 Ų99.678%0.7855%0.549SS*.SBendtrans-139.1148.6-179.6-65.5175.8-17300107.5A375 P379A375-E377 VanDerWaalsContact C-N 3.27Å; A375-E377 WeakPolarHBondContact CB-O 3.35Å; A375-E377 PolarHBondContact O-N 3.38Å; E377-P379 VanDerWaalsContact O-CD 3.26Å; E377-P379 WeakPolarHBondContact O-CD 3.35Å
378N95.5Very high94.9Very high75 Ų7597.4 Ų97.440%0.40153%0.527SS..  trans-65.3115.7176.8-176.2-3.2000109.4Y380 G381N378-Y380 PolarHBondContact O-N 3.23Å; N378-Y380 PolarHBondContact OD1-N 2.92Å; N378-G381 PolarHBondContact ND2-O 3.48Å; N378-G381 PolarHBondContact O-N 3.01Å
379P94.4Very high94.9Very high45 Ų4591.8 Ų91.829%0.29250%0.5SS..THydrogen-bonded Turntrans-66.4-20-177.528.1-35.9000113.4I372 E377 G381 P388I372-P379 HydrophobicContact CG2-CG 4.07Å; E377-P379 VanDerWaalsContact O-CD 3.26Å; E377-P379 WeakPolarHBondContact O-CD 3.35Å; P379-G381 VanDerWaalsContact C-N 3.29Å; P379-P388 HydrophobicContact CB-CB 3.86Å; P379-P388 HydrophobicContact CB-CG 3.86Å; P379-P388 HydrophobicContact CG-CG 4.15Å
380Y94.8Very high94.9Very high35 Ų3593 Ų9314%0.13751%0.511CS..THydrogen-bonded Turntrans-83.2-6.4174.4-63.3-86.8000113.2D261 I372 N378 D384 N385 K386 P388D261-Y380 WeakPolarHBondContact OD2-CE1 3.24Å; I372-Y380 HydrophobicContact CG2-CD2 4.15Å; I372-Y380 HydrophobicContact CG2-CE2 4.07Å; N378-Y380 PolarHBondContact O-N 3.23Å; N378-Y380 PolarHBondContact OD1-N 2.92Å; Y380-D384 CarbonylContact O-C 3.44Å; Y380-D384 VanDerWaalsContact O-CA 3.3Å; Y380-D384 WeakPolarHBondContact O-CA 3.35Å; Y380-N385 PolarHBondContact O-N 2.8Å; Y380-K386 VanDerWaalsContact CA-O 3.26Å; Y380-K386 WeakPolarHBondContact CA-O 3.23Å; Y380-K386 PolarHBondContact O-N 2.81Å; Y380-P388 HydrophobicContact CE1-CG 4.48Å; Y380-P388 HydrophobicContact CE2-CG 4.25Å
381G93.9Very high94.9Very high11 Ų1194 Ų9411%0.11350%0.503CS..THydrogen-bonded Turntrans80166.7-173.800000112.8N378 P379 D383N378-G381 PolarHBondContact ND2-O 3.48Å; N378-G381 PolarHBondContact O-N 3.01Å; P379-G381 VanDerWaalsContact C-N 3.29Å; G381-D383 VanDerWaalsContact C-N 3.32Å
382E90.4Very high94.8Very high198 Ų19898.4 Ų98.493%0.92552%0.517SS*.THydrogen-bonded Turntrans-69.3-32.2179.1-64.2179.4175.800112.3
383D92.1Very high94.8Very high132 Ų13297.4 Ų97.471%0.70652%0.516SS*.THydrogen-bonded Turntrans-101.213.8-179.4-58.8-46000113.1G381 N385G381-D383 VanDerWaalsContact C-N 3.32Å; D383-N385 VanDerWaalsContact C-N 3.31Å; D383-N385 PolarHBondContact O-N 2.73Å
384D91.1Very high94.7Very high112 Ų112102.7 Ų102.760%0.59953%0.527SS*.THydrogen-bonded Turntrans55.343.4-179.2-159.725.7000113.6Y380Y380-D384 CarbonylContact O-C 3.44Å; Y380-D384 VanDerWaalsContact O-CA 3.3Å; Y380-D384 WeakPolarHBondContact O-CA 3.35Å
385N92.3Very high94.6Very high106 Ų106102 Ų10257%0.56752%0.524SS*.  trans-114.74.9-172.765.5-0.4000113.8Y380 D383Y380-N385 PolarHBondContact O-N 2.8Å; D383-N385 VanDerWaalsContact C-N 3.31Å; D383-N385 PolarHBondContact O-N 2.73Å
386K95.1Very high94.6Very high144 Ų144106.2 Ų106.263%0.62653%0.533SS*.  trans-130169177-65.7173.3-170.6171.40108.7Y380Y380-K386 VanDerWaalsContact CA-O 3.26Å; Y380-K386 WeakPolarHBondContact CA-O 3.23Å; Y380-K386 PolarHBondContact O-N 2.81Å
387S96.4Very high94.6Very high42 Ų42102.2 Ų102.229%0.29451%0.512SS..  trans-144.9146168.6169.90000109.3D261 F389D261-S387 PolarHBondContact OD1-OG 3.44Å; D261-S387 VanDerWaalsContact OD1-OG 3.08Å; D261-S387 WeakPolarHBondContact OD2-CB 3.09Å; D261-S387 PolarHBondContact OD2-OG 3.39Å; S387-F389 PolarHBondContact O-N 3.3Å; S387-F389 PolarHBondContact OG-N 3.19Å; S387-F389 PolarHBondContact OG-O 3.42Å
388P96.6Very high94.6Very high50 Ų5098 Ų9833%0.32550%0.501SS..SBendtrans-68.6-12167.328-30.8000112.9P379 Y380P379-P388 HydrophobicContact CB-CB 3.86Å; P379-P388 HydrophobicContact CB-CG 3.86Å; P379-P388 HydrophobicContact CG-CG 4.15Å; Y380-P388 HydrophobicContact CE1-CG 4.48Å; Y380-P388 HydrophobicContact CE2-CG 4.25Å
389F97.8Very high94.5Very high30 Ų30103.8 Ų103.813%0.13252%0.519CS..  trans-107.4158-177.9-57-62.8000111.7D261 W362 L363 L369 S387 L391D261-F389 HydrophobicContact CB-CB 3.94Å; D261-F389 HydrophobicContact CB-CD2 3.9Å; D261-F389 HydrophobicContact CB-CG 4.27Å; W362-F389 WeakPolarHBondContact O-CD1 3.31Å; L363-F389 HydrophobicContact CB-CE1 4.43Å; L363-F389 HydrophobicContact CG-CE1 4.34Å; L369-F389 HydrophobicContact CD2-CE1 4.16Å; L369-F389 HydrophobicContact CD2-CZ 3.81Å; S387-F389 PolarHBondContact O-N 3.3Å; S387-F389 PolarHBondContact OG-N 3.19Å; S387-F389 PolarHBondContact OG-O 3.42Å; F389-L391 HydrophobicContact CD1-CG 4.32Å
390P97.3Very high94.5Very high89 Ų89104.4 Ų104.458%0.57853%0.528SS*.SBendcis-75.2145.1-6.931.2-35.2000112.9W362 Q392W362-P390 HydrophobicContact CB-CB 3.75Å; P390-Q392 PolarHBondContact O-N 3.49Å
391L96.8Very high94.3Very high81 Ų81108.1 Ų108.142%0.42455%0.546SS..PPolyproline II helixtrans-64127.2167.3-64.6-173.2000110.1W362 L363 F389W362-L391 WeakPolarHBondContact O-CB 3.27Å; W362-L391 WeakPolarHBondContact O-CG 3.5Å; W362-L391 PolarHBondContact O-N 3.02Å; L363-L391 WeakPolarHBondContact O-CD1 3.45Å; F389-L391 HydrophobicContact CD1-CG 4.32Å
392Q95.1Very high94.1Very high168 Ų168113 Ų11379%0.78557%0.57SS**PPolyproline II helixtrans-82.2138.2179.3-65.2-173.91.400110.6P390 K394P390-Q392 PolarHBondContact O-N 3.49Å; Q392-K394 PolarHBondContact O-N 3.01Å
393P94.4Very high94.3Very high72 Ų72107.5 Ų107.547%0.46855%0.55SS..PPolyproline II helixtrans-62.6142173.627.5-34.5000110N395P393-N395 PolarHBondContact O-N 2.88Å
394K94.6Very high94.5Very high206 Ų206102.6 Ų102.690%0.89652%0.524SS*.SBendtrans-50.6-37.4179.2-175.6178.1179.4179.30113.1Q392Q392-K394 PolarHBondContact O-N 3.01Å
395N94.4Very high94.8Very high116 Ų116101.5 Ų101.562%0.6252%0.521SS*.SBendtrans-113.8128.7177.2-61.3-49.4000110.6P393 R397P393-N395 PolarHBondContact O-N 2.88Å; N395-R397 PolarHBondContact O-NH1 3.29Å
396K94.5Very high95Very high138 Ų13898 Ų9860%0.650%0.5SS*.  trans-64.3145.5174.6-64.8-174.5178.5-173.30110.6Q401K396-Q401 HydrophobicContact CB-CB 4.05Å
397R94.2Very high95.1Very high129 Ų12998.6 Ų98.649%0.48751%0.509SS..  trans-79.1162.8173.5-59.3-60.9-173.5-99.73.3110.6N395 Y399 A400 Q401N395-R397 PolarHBondContact O-NH1 3.29Å; R397-Y399 HydrophobicContact CB-CD1 3.94Å; R397-Y399 HydrophobicContact CB-CE1 3.42Å; R397-Y399 VanDerWaalsContact CB-CE1 3.42Å; R397-Y399 HydrophobicContact CB-CE2 4.13Å; R397-Y399 HydrophobicContact CB-CG 4.49Å; R397-Y399 HydrophobicContact CG-CE1 4.02Å; R397-Y399 PolarHBondContact O-N 3.46Å; R397-A400 CarbonylContact O-C 2.97Å; R397-A400 PolarHBondContact O-N 3.29Å; R397-Q401 PolarHBondContact O-N 2.89Å; R397-Q401 VanDerWaalsContact O-N 3.14Å
398S95.3Very high95.1Very high78 Ų78103.9 Ų103.955%0.54553%0.526SS..THydrogen-bonded Turntrans-57.3-31.6-176.456.70000114.3V403S398-V403 WeakPolarHBondContact O-CG2 3.43Å
399Y94Very high95Very high197 Ų197106 Ų10677%0.77354%0.541SS*.THydrogen-bonded Turntrans-83-17.8177.253.9-95.9000113.6R397R397-Y399 HydrophobicContact CB-CD1 3.94Å; R397-Y399 HydrophobicContact CB-CE1 3.42Å; R397-Y399 VanDerWaalsContact CB-CE1 3.42Å; R397-Y399 HydrophobicContact CB-CE2 4.13Å; R397-Y399 HydrophobicContact CB-CG 4.49Å; R397-Y399 HydrophobicContact CG-CE1 4.02Å; R397-Y399 PolarHBondContact O-N 3.46Å
400A92.9Very high95Very high58 Ų58108 Ų10848%0.47956%0.558SS.*SBendtrans-101.46.2177.600000112.4R397R397-A400 CarbonylContact O-C 2.97Å; R397-A400 PolarHBondContact O-N 3.29Å
401Q91.9Very high94.9Very high113 Ų113104.8 Ų104.853%0.52854%0.541SS..SBendtrans-136.7153.6177.7-176.8170.3-1.700109.2K396 R397 V403K396-Q401 HydrophobicContact CB-CB 4.05Å; R397-Q401 PolarHBondContact O-N 2.89Å; R397-Q401 VanDerWaalsContact O-N 3.14Å; Q401-V403 PolarHBondContact O-N 3.34Å; Q401-V403 VanDerWaalsContact O-N 3.14Å
402N90Very high94.9Very high115 Ų115102.7 Ų102.762%0.61553%0.53SS*.  trans-70.3112.9173.4-65.9-36.8000109.7
403V94.5Very high95Very high82 Ų82100.7 Ų100.750%0.49752%0.521SS..  trans-116150.6170.7-62.30000109.6S398 Q401 V405S398-V403 WeakPolarHBondContact O-CG2 3.43Å; Q401-V403 PolarHBondContact O-N 3.34Å; Q401-V403 VanDerWaalsContact O-N 3.14Å; V403-V405 HydrophobicContact CG2-CG2 4.45Å
404T96Very high95.1Very high28 Ų28101.5 Ų101.517%0.17253%0.525CS..  trans-110.7124.6-179.9-52.80000109.3W406 A443 F447T404-W406 HydrophobicContact CG2-CD2 3.87Å; T404-W406 HydrophobicContact CG2-CG 4.3Å; T404-W406 HydrophobicContact CG2-CH2 4.15Å; T404-W406 HydrophobicContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-NE1 3.3Å; T404-A443 HydrophobicContact CG2-CB 3.6Å; T404-F447 HydrophobicContact CG2-CE2 4.31Å
405V96.6Very high95.2Very high89 Ų8992.8 Ų92.854%0.53949%0.488SS..  trans-134.6108.4-177.1-176.20000109.9V403 I407V403-V405 HydrophobicContact CG2-CG2 4.45Å; V405-I407 HydrophobicContact CG1-CD1 4.42Å; V405-I407 HydrophobicContact CG1-CG1 4.36Å
406W97.4Very high95.3Very high33 Ų3388 Ų8813%0.12546%0.463CS..  trans-115.922-177.3-60.4-25.3000114T404 K408 L412 D415 L440 A443 A444 F447 F449 L452T404-W406 HydrophobicContact CG2-CD2 3.87Å; T404-W406 HydrophobicContact CG2-CG 4.3Å; T404-W406 HydrophobicContact CG2-CH2 4.15Å; T404-W406 HydrophobicContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-CZ2 3.42Å; T404-W406 VanDerWaalsContact CG2-NE1 3.3Å; W406-K408 VanDerWaalsContact C-N 3.26Å; W406-K408 PolarHBondContact O-N 3.25Å; W406-L412 HydrophobicContact CB-CB 4.3Å; W406-L412 HydrophobicContact CD2-CD1 3.78Å; W406-L412 HydrophobicContact CE3-CD1 4.28Å; W406-L412 HydrophobicContact CG-CB 4.05Å; W406-L412 HydrophobicContact CG-CD1 4.02Å; W406-L412 HydrophobicContact CZ2-CD1 4.22Å; W406-D415 PolarHBondContact NE1-OD2 3.07Å; W406-L440 HydrophobicContact CH2-CG 3.84Å; W406-L440 HydrophobicContact CZ2-CB 4.44Å; W406-L440 HydrophobicContact CZ2-CD1 4.34Å; W406-L440 HydrophobicContact CZ2-CG 3.88Å; W406-A443 HydrophobicContact CH2-CB 3.63Å; W406-A443 HydrophobicContact CZ2-CB 4.09Å; W406-A443 HydrophobicContact CZ3-CB 4.09Å; W406-A444 HydrophobicContact CH2-CB 4.28Å; W406-A444 HydrophobicContact CZ3-CB 4.11Å; W406-F447 HydrophobicContact CD2-CE2 4.34Å; W406-F447 AromaticContact CE3-CD2 3.69Å; W406-F447 HydrophobicContact CE3-CD2 3.69Å; W406-F447 AromaticContact CE3-CE2 3.92Å; W406-F447 HydrophobicContact CE3-CE2 3.92Å; W406-F447 AromaticContact CZ3-CD2 3.91Å; W406-F447 HydrophobicContact CZ3-CD2 3.91Å; W406-F447 HydrophobicContact CZ3-CE2 4.29Å; W406-F449 HydrophobicContact CE3-CD2 4.25Å; W406-F449 HydrophobicContact CZ3-CD2 4.49Å; W406-L452 HydrophobicContact CD2-CD2 4.48Å; W406-L452 HydrophobicContact CE3-CD2 3.87Å; W406-L452 HydrophobicContact CH2-CD2 3.48Å; W406-L452 VanDerWaalsContact CH2-CD2 3.48Å; W406-L452 HydrophobicContact CZ2-CD2 4.13Å; W406-L452 HydrophobicContact CZ3-CD2 3.33Å
407I96.3Very high95.4Very high157 Ų15786.7 Ų86.781%0.80546%0.459SS*.SBendtrans-62.2-37.6173.9-59.9174.4000110.6V405V405-I407 HydrophobicContact CG1-CD1 4.42Å; V405-I407 HydrophobicContact CG1-CG1 4.36Å
408K96.5Very high95.5Very high152 Ų15284 Ų8466%0.66145%0.451SS*.SBendtrans-101.1138.2176.2-66.4-175.8178.71800110.3W406 S410 G411W406-K408 VanDerWaalsContact C-N 3.26Å; W406-K408 PolarHBondContact O-N 3.25Å; K408-S410 PolarHBondContact O-N 2.97Å; K408-S410 VanDerWaalsContact O-N 3.15Å; K408-G411 PolarHBondContact O-N 3.09Å; K408-G411 VanDerWaalsContact O-N 3.09Å
409P95.6Very high95.6Very high96 Ų9680.3 Ų80.362%0.62343%0.425SS*.Hα-helixtrans-55.2-34.9179.7-27.634.8000114.2G411 L412 Q413P409-G411 VanDerWaalsContact C-N 3.3Å; P409-G411 PolarHBondContact O-N 3Å; P409-L412 PolarHBondContact O-N 3.03Å; P409-Q413 VanDerWaalsContact O-CG 3.3Å; P409-Q413 WeakPolarHBondContact O-CG 3.39Å; P409-Q413 PolarHBondContact O-N 3.11Å
410S96.1Very high95.8Very high70 Ų7071.2 Ų71.249%0.4939%0.389SS..Hα-helixtrans-62.3-34.2179.754.20000113.5K408 T414K408-S410 PolarHBondContact O-N 2.97Å; K408-S410 VanDerWaalsContact O-N 3.15Å; S410-T414 WeakPolarHBondContact O-CB 3.37Å; S410-T414 PolarHBondContact O-N 3.22Å; S410-T414 PolarHBondContact O-OG1 3.49Å
411G95.6Very high95.9Very high23 Ų2375.3 Ų75.324%0.23739%0.392CS..Hα-helixtrans-65.1-47.4177.800000111.4K408 P409 T414 D415K408-G411 PolarHBondContact O-N 3.09Å; K408-G411 VanDerWaalsContact O-N 3.09Å; P409-G411 VanDerWaalsContact C-N 3.3Å; P409-G411 PolarHBondContact O-N 3Å; G411-T414 PolarHBondContact O-N 2.92Å; G411-D415 PolarHBondContact O-N 3.36Å
412L96.8Very high96.1Very high36 Ų3670.7 Ų70.719%0.18837%0.371CS..Hα-helixtrans-61.8-46.9176177.460.7000112W406 P409 T414 D415 V416 F449 L452W406-L412 HydrophobicContact CB-CB 4.3Å; W406-L412 HydrophobicContact CD2-CD1 3.78Å; W406-L412 HydrophobicContact CE3-CD1 4.28Å; W406-L412 HydrophobicContact CG-CB 4.05Å; W406-L412 HydrophobicContact CG-CD1 4.02Å; W406-L412 HydrophobicContact CZ2-CD1 4.22Å; P409-L412 PolarHBondContact O-N 3.03Å; L412-T414 VanDerWaalsContact C-N 3.27Å; L412-T414 PolarHBondContact O-N 3.3Å; L412-D415 PolarHBondContact O-N 2.72Å; L412-V416 HydrophobicContact CD1-CG2 4.33Å; L412-V416 WeakPolarHBondContact O-CG2 3.36Å; L412-V416 PolarHBondContact O-N 3.17Å; L412-V416 VanDerWaalsContact O-N 3.1Å; L412-F449 HydrophobicContact CD2-CE2 4.08Å; L412-L452 HydrophobicContact CD1-CD1 3.74Å; L412-L452 HydrophobicContact CD1-CD2 3.49Å; L412-L452 VanDerWaalsContact CD1-CD2 3.49Å; L412-L452 HydrophobicContact CD1-CG 4.26Å; L412-L452 HydrophobicContact CD2-CD1 4.19Å; L412-L452 HydrophobicContact CG-CD1 4.39Å
413Q96.4Very high96.4Very high126 Ų12665.2 Ų65.259%0.58934%0.342SS*.Hα-helixtrans-59.2-39.5178.2-71.8171.42.300111.8P409 V416 Q417P409-Q413 VanDerWaalsContact O-CG 3.3Å; P409-Q413 WeakPolarHBondContact O-CG 3.39Å; P409-Q413 PolarHBondContact O-N 3.11Å; Q413-V416 PolarHBondContact O-N 3.47Å; Q413-Q417 VanDerWaalsContact O-CB 3.27Å; Q413-Q417 WeakPolarHBondContact O-CB 3.43Å; Q413-Q417 WeakPolarHBondContact O-CG 3.49Å; Q413-Q417 PolarHBondContact O-N 3.37Å
414T96.9Very high96.3Very high90 Ų9068 Ų6855%0.55234%0.344SS*.Hα-helixtrans-63.1-43.7178.9-59.90000111.8S410 G411 L412 Q417 K418S410-T414 WeakPolarHBondContact O-CB 3.37Å; S410-T414 PolarHBondContact O-N 3.22Å; S410-T414 PolarHBondContact O-OG1 3.49Å; G411-T414 PolarHBondContact O-N 2.92Å; L412-T414 VanDerWaalsContact C-N 3.27Å; L412-T414 PolarHBondContact O-N 3.3Å; T414-Q417 PolarHBondContact O-N 2.85Å; T414-K418 WeakPolarHBondContact O-CB 3.39Å; T414-K418 PolarHBondContact O-N 3.12Å
415D97.1Very high96.3Very high23 Ų2371.7 Ų71.712%0.12336%0.357CS..Hα-helixtrans-64.3-46.3178.1-82.3-24.5000111.9W406 G411 L412 K418 I419 R439W406-D415 PolarHBondContact NE1-OD2 3.07Å; G411-D415 PolarHBondContact O-N 3.36Å; L412-D415 PolarHBondContact O-N 2.72Å; D415-K418 PolarHBondContact O-N 3.35Å; D415-I419 WeakPolarHBondContact O-CG1 3.49Å; D415-I419 PolarHBondContact O-N 3.32Å; D415-I419 VanDerWaalsContact O-N 3.13Å; D415-R439 IonicContact OD1-CZ 2.78Å; D415-R439 IonicContact OD1-NE 2.73Å; D415-R439 IonicContact OD1-NH2 2.8Å; D415-R439 PolarHBondContact OD1-NH2 2.95Å
416V97.2Very high96.1Very high14 Ų1468 Ų689%0.08534%0.335CS..Hα-helixtrans-63.2-45.7177.5176.30000110.7L412 Q413 K418 I419 L420 L440 V456 M459L412-V416 HydrophobicContact CD1-CG2 4.33Å; L412-V416 WeakPolarHBondContact O-CG2 3.36Å; L412-V416 PolarHBondContact O-N 3.17Å; L412-V416 VanDerWaalsContact O-N 3.1Å; Q413-V416 PolarHBondContact O-N 3.47Å; V416-K418 VanDerWaalsContact C-N 3.28Å; V416-K418 PolarHBondContact O-N 2.7Å; V416-I419 WeakPolarHBondContact O-CB 3.46Å; V416-I419 PolarHBondContact O-N 3.26Å; V416-I419 VanDerWaalsContact O-N 3.11Å; V416-L420 HydrophobicContact CG1-CD1 4.09Å; V416-L420 HydrophobicContact CG1-CG 4.31Å; V416-L420 WeakPolarHBondContact O-CG 3.33Å; V416-L420 PolarHBondContact O-N 2.71Å; V416-L440 HydrophobicContact CG2-CD1 3.91Å; V416-V456 HydrophobicContact CG2-CG2 3.93Å; V416-M459 HydrophobicContact CG1-CE 3.98Å; V416-M459 HydrophobicContact CG1-SD 3.85Å
417Q96.6Very high95.9Very high111 Ų11168.7 Ų68.752%0.51934%0.343SS..Hα-helixtrans-59.4-38176.9-77.1-69.5-18.900112.4Q413 T414 I419 L420 R421Q413-Q417 VanDerWaalsContact O-CB 3.27Å; Q413-Q417 WeakPolarHBondContact O-CB 3.43Å; Q413-Q417 WeakPolarHBondContact O-CG 3.49Å; Q413-Q417 PolarHBondContact O-N 3.37Å; T414-Q417 PolarHBondContact O-N 2.85Å; Q417-I419 VanDerWaalsContact C-N 3.34Å; Q417-L420 PolarHBondContact O-N 3.14Å; Q417-R421 WeakPolarHBondContact O-CB 3.5Å; Q417-R421 PolarHBondContact O-N 3.03Å
418K96.7Very high95.7Very high73 Ų7368.2 Ų68.232%0.31734%0.338SS..Hα-helixtrans-65-38.6176.5-170.6171.2173.2-149.70111.9T414 D415 V416 N422 E436T414-K418 WeakPolarHBondContact O-CB 3.39Å; T414-K418 PolarHBondContact O-N 3.12Å; D415-K418 PolarHBondContact O-N 3.35Å; V416-K418 VanDerWaalsContact C-N 3.28Å; V416-K418 PolarHBondContact O-N 2.7Å; K418-N422 PolarHBondContact O-N 3.48Å; K418-N422 PolarHBondContact O-ND2 3.44Å; K418-E436 WeakPolarHBondContact CD-OE2 3.45Å; K418-E436 VanDerWaalsContact CE-CD 3.48Å; K418-E436 WeakPolarHBondContact CE-OE2 3.27Å; K418-E436 IonicContact NZ-OE1 2.9Å; K418-E436 PolarHBondContact NZ-OE1 3.2Å; K418-E436 IonicContact NZ-OE2 2.86Å; K418-E436 PolarHBondContact NZ-OE2 2.86Å
419I97.5Very high95.6Very high1 Ų164.6 Ų64.61%0.00532%0.322CS..Hα-helixtrans-63.7-50.9173.1-66.8166.2000110.3D415 V416 Q417 R421 N422 A423 F433 E436 L440 L460D415-I419 WeakPolarHBondContact O-CG1 3.49Å; D415-I419 PolarHBondContact O-N 3.32Å; D415-I419 VanDerWaalsContact O-N 3.13Å; V416-I419 WeakPolarHBondContact O-CB 3.46Å; V416-I419 PolarHBondContact O-N 3.26Å; V416-I419 VanDerWaalsContact O-N 3.11Å; Q417-I419 VanDerWaalsContact C-N 3.34Å; I419-R421 VanDerWaalsContact C-N 3.32Å; I419-R421 PolarHBondContact O-N 3.4Å; I419-N422 PolarHBondContact O-N 3.14Å; I419-N422 VanDerWaalsContact O-N 3.09Å; I419-A423 WeakPolarHBondContact O-CB 3.38Å; I419-A423 PolarHBondContact O-N 2.81Å; I419-F433 HydrophobicContact CG2-CD2 4.09Å; I419-F433 HydrophobicContact CG2-CE2 3.7Å; I419-E436 HydrophobicContact CG1-CB 3.77Å; I419-L440 HydrophobicContact CD1-CB 3.84Å; I419-L440 HydrophobicContact CD1-CD1 3.6Å; I419-L440 HydrophobicContact CD1-CG 4.31Å; I419-L460 HydrophobicContact CG2-CD2 4.3Å
420L96.7Very high95.5Very high5 Ų561.2 Ų61.23%0.02630%0.299CS..Hα-helixtrans-61.3-38.2-178.9-62.7172.4000112.6V416 Q417 N422 A423 R424 M459 E463V416-L420 HydrophobicContact CG1-CD1 4.09Å; V416-L420 HydrophobicContact CG1-CG 4.31Å; V416-L420 WeakPolarHBondContact O-CG 3.33Å; V416-L420 PolarHBondContact O-N 2.71Å; Q417-L420 PolarHBondContact O-N 3.14Å; L420-N422 VanDerWaalsContact C-N 3.29Å; L420-N422 PolarHBondContact O-N 2.96Å; L420-A423 WeakPolarHBondContact O-CB 3.49Å; L420-A423 PolarHBondContact O-N 3.16Å; L420-R424 WeakPolarHBondContact O-CG 3.38Å; L420-R424 PolarHBondContact O-N 3.2Å; L420-M459 HydrophobicContact CD1-CE 3.58Å; L420-M459 HydrophobicContact CD2-CB 4.31Å; L420-E463 HydrophobicContact CD2-CG 3.74Å
421R95.9Very high95.5Very high144 Ų14465.9 Ų65.954%0.54331%0.313SS..Hα-helixtrans-63-36.8176.1-173.1-179.966.4-177.4-0.8112.2Q417 I419Q417-R421 WeakPolarHBondContact O-CB 3.5Å; Q417-R421 PolarHBondContact O-N 3.03Å; I419-R421 VanDerWaalsContact C-N 3.32Å; I419-R421 PolarHBondContact O-N 3.4Å
422N95.9Very high95.5Very high16 Ų1667.4 Ų67.49%0.08632%0.318CS..Hα-helixtrans-76.9-34.8176.6-66.6-24.4000111.6K418 I419 L420 R424 K425 K429 F433K418-N422 PolarHBondContact O-N 3.48Å; K418-N422 PolarHBondContact O-ND2 3.44Å; I419-N422 PolarHBondContact O-N 3.14Å; I419-N422 VanDerWaalsContact O-N 3.09Å; L420-N422 VanDerWaalsContact C-N 3.29Å; L420-N422 PolarHBondContact O-N 2.96Å; N422-R424 VanDerWaalsContact C-N 3.31Å; N422-R424 PolarHBondContact O-N 3.19Å; N422-K425 PolarHBondContact O-N 3.39Å; N422-K429 HydrophobicContact CB-CB 4.42Å; N422-F433 HydrophobicContact CB-CB 3.96Å; N422-F433 HydrophobicContact CB-CD2 4.38Å
423A95.4Very high95.5Very high0 Ų065.7 Ų65.70%031%0.31CS..Hα-helixtrans-55.8-42.6175.500000112.4I419 L420 K425 L426 F433 L460 L479I419-A423 WeakPolarHBondContact O-CB 3.38Å; I419-A423 PolarHBondContact O-N 2.81Å; L420-A423 WeakPolarHBondContact O-CB 3.49Å; L420-A423 PolarHBondContact O-N 3.16Å; A423-K425 PolarHBondContact O-N 3.24Å; A423-L426 WeakPolarHBondContact O-CD1 3.15Å; A423-L426 WeakPolarHBondContact O-CG 3.15Å; A423-L426 PolarHBondContact O-N 3.47Å; A423-F433 HydrophobicContact CB-CD2 4.03Å; A423-F433 HydrophobicContact CB-CE2 3.77Å; A423-L460 HydrophobicContact CB-CD2 4.28Å; A423-L479 HydrophobicContact CB-CD2 3.56Å
424R93.9Very high95.6Very high140 Ų14060.2 Ų60.253%0.52828%0.283SS..THydrogen-bonded Turntrans-71.1-7.5178.1-64.4175.6-166.1140.86.4114.7L420 N422 E463L420-R424 WeakPolarHBondContact O-CG 3.38Å; L420-R424 PolarHBondContact O-N 3.2Å; N422-R424 VanDerWaalsContact C-N 3.31Å; N422-R424 PolarHBondContact O-N 3.19Å; R424-E463 WeakPolarHBondContact CG-OE2 3.43Å; R424-E463 IonicContact CZ-OE1 2.85Å; R424-E463 IonicContact CZ-OE2 3.91Å; R424-E463 IonicContact NE-OE1 2.71Å; R424-E463 IonicContact NE-OE2 3.08Å; R424-E463 PolarHBondContact NE-OE2 3.38Å; R424-E463 IonicContact NH2-OE1 2.7Å; R424-E463 PolarHBondContact NH2-OE1 3.04Å; R424-E463 IonicContact NH2-OE2 2.81Å; R424-E463 PolarHBondContact NH2-OE2 3.23Å
425K94.6Very high95.6Very high106 Ų10662.4 Ų62.446%0.46129%0.285SS..THydrogen-bonded Turntrans-115.224.7-177.7-62.5-173.1177.7-164.40112.2N422 A423 E428 K429N422-K425 PolarHBondContact O-N 3.39Å; A423-K425 PolarHBondContact O-N 3.24Å; K425-E428 WeakPolarHBondContact O-CA 3.15Å; K425-E428 WeakPolarHBondContact O-CB 3.22Å; K425-E428 PolarHBondContact O-N 3.49Å; K425-K429 HydrophobicContact CB-CB 4.14Å; K425-K429 HydrophobicContact CB-CG 3.86Å; K425-K429 HydrophobicContact CD-CG 4.3Å; K425-K429 PolarHBondContact O-N 3.2Å
426L93.1Very high95.6Very high12 Ų1262 Ų626%0.06328%0.282CS..THydrogen-bonded Turntrans-78.6143.3174.8-66.5171.5000110.1A423 T430 F433 A475 Q478 L479A423-L426 WeakPolarHBondContact O-CD1 3.15Å; A423-L426 WeakPolarHBondContact O-CG 3.15Å; A423-L426 PolarHBondContact O-N 3.47Å; L426-T430 VanDerWaalsContact CD2-CA 3.49Å; L426-T430 WeakPolarHBondContact CD2-OG1 3.43Å; L426-F433 HydrophobicContact CD1-CD1 4.22Å; L426-F433 HydrophobicContact CD1-CE1 4.35Å; L426-F433 HydrophobicContact CD2-CB 4.08Å; L426-F433 HydrophobicContact CD2-CD1 4.19Å; L426-F433 HydrophobicContact CD2-CG 4.25Å; L426-A475 HydrophobicContact CB-CB 3.8Å; L426-Q478 HydrophobicContact CD1-CB 4.01Å; L426-L479 HydrophobicContact CD1-CD2 3.66Å; L426-L479 HydrophobicContact CD1-CG 3.86Å
427P92.2Very high95.6Very high47 Ų4761.3 Ų61.331%0.30528%0.278SS..THydrogen-bonded Turncis-85.6-3.13.434.5-39.3000115.6K429 T430 H472 D474P427-K429 VanDerWaalsContact C-N 3.25Å; P427-K429 PolarHBondContact O-N 3.29Å; P427-T430 WeakPolarHBondContact CA-OG1 3.4Å; P427-T430 PolarHBondContact O-N 3.4Å; P427-T430 PolarHBondContact O-OG1 3.29Å; P427-H472 VanDerWaalsContact CD-CB 3.44Å; P427-H472 VanDerWaalsContact CD-CG 3.47Å; P427-H472 HydrophobicContact CG-CB 4.33Å; P427-D474 HydrophobicContact CB-CB 4.27Å; P427-D474 VanDerWaalsContact CB-OD2 3.32Å; P427-D474 WeakPolarHBondContact CB-OD2 3.49Å
428E92.7Very high95.6Very high147 Ų14756.7 Ų56.769%0.68726%0.257SS*.THydrogen-bonded Turntrans-56.9-36.3-174.5-163.5-152.9133.900113.1K425K425-E428 WeakPolarHBondContact O-CA 3.15Å; K425-E428 WeakPolarHBondContact O-CB 3.22Å; K425-E428 PolarHBondContact O-N 3.49Å
429K95Very high95.6Very high77 Ų7755.2 Ų55.234%0.33525%0.25SC..THydrogen-bonded Turntrans-107.822.5-177.8-64.9-58.9179.2-159.80114.7N422 K425 P427 Q431 T432 F433N422-K429 HydrophobicContact CB-CB 4.42Å; K425-K429 HydrophobicContact CB-CB 4.14Å; K425-K429 HydrophobicContact CB-CG 3.86Å; K425-K429 HydrophobicContact CD-CG 4.3Å; K425-K429 PolarHBondContact O-N 3.2Å; P427-K429 VanDerWaalsContact C-N 3.25Å; P427-K429 PolarHBondContact O-N 3.29Å; K429-Q431 PolarHBondContact O-N 2.87Å; K429-T432 WeakPolarHBondContact CB-OG1 3.32Å; K429-T432 PolarHBondContact O-N 3.32Å; K429-T432 PolarHBondContact O-OG1 2.86Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 2.9Å
430T94.1Very high95.6Very high24 Ų2455.3 Ų55.315%0.14725%0.25CS..Hα-helixtrans-50.8-51.8-177.8-64.70000113L426 P427 T432 F433 Y434 P505L426-T430 VanDerWaalsContact CD2-CA 3.49Å; L426-T430 WeakPolarHBondContact CD2-OG1 3.43Å; P427-T430 WeakPolarHBondContact CA-OG1 3.4Å; P427-T430 PolarHBondContact O-N 3.4Å; P427-T430 PolarHBondContact O-OG1 3.29Å; T430-T432 PolarHBondContact O-N 3.09Å; T430-F433 PolarHBondContact O-N 3.08Å; T430-Y434 HydrophobicContact CG2-CD2 3.84Å; T430-Y434 HydrophobicContact CG2-CE2 3.93Å; T430-Y434 WeakPolarHBondContact O-CD2 3.49Å; T430-Y434 PolarHBondContact O-N 2.96Å; T430-P505 HydrophobicContact CG2-CB 3.8Å; T430-P505 HydrophobicContact CG2-CG 4.3Å
431Q94.8Very high95.7Very high168 Ų16855 Ų5579%0.78525%0.249SC*.Hα-helixtrans-60.3-45.8-178-168.4-171.73100112.5K429 K435K429-Q431 PolarHBondContact O-N 2.87Å; Q431-K435 WeakPolarHBondContact O-CB 3.5Å; Q431-K435 PolarHBondContact O-N 3.23Å
432T95.7Very high95.7Very high56 Ų5650.3 Ų50.334%0.34423%0.232SC..Hα-helixtrans-69-36.4178.545.50000112.4K429 T430 K435 E436K429-T432 WeakPolarHBondContact CB-OG1 3.32Å; K429-T432 PolarHBondContact O-N 3.32Å; K429-T432 PolarHBondContact O-OG1 2.86Å; T430-T432 PolarHBondContact O-N 3.09Å; T432-K435 PolarHBondContact O-N 2.86Å; T432-E436 WeakPolarHBondContact O-CG 3.39Å; T432-E436 PolarHBondContact O-N 3.01Å; T432-E436 VanDerWaalsContact O-N 3.1Å
433F97.6Very high95.7Very high0 Ų050 Ų500%023%0.232CC..Hα-helixtrans-59.8-54.3175.5169.2-107.1000111I419 N422 A423 L426 K429 T430 K435 E436 L437 L460 L479 A482I419-F433 HydrophobicContact CG2-CD2 4.09Å; I419-F433 HydrophobicContact CG2-CE2 3.7Å; N422-F433 HydrophobicContact CB-CB 3.96Å; N422-F433 HydrophobicContact CB-CD2 4.38Å; A423-F433 HydrophobicContact CB-CD2 4.03Å; A423-F433 HydrophobicContact CB-CE2 3.77Å; L426-F433 HydrophobicContact CD1-CD1 4.22Å; L426-F433 HydrophobicContact CD1-CE1 4.35Å; L426-F433 HydrophobicContact CD2-CB 4.08Å; L426-F433 HydrophobicContact CD2-CD1 4.19Å; L426-F433 HydrophobicContact CD2-CG 4.25Å; K429-F433 WeakPolarHBondContact O-CB 3.33Å; K429-F433 PolarHBondContact O-N 2.9Å; T430-F433 PolarHBondContact O-N 3.08Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.07Å; F433-E436 PolarHBondContact O-N 3.06Å; F433-L437 HydrophobicContact CE1-CD2 4.39Å; F433-L437 HydrophobicContact CZ-CD2 4.38Å; F433-L437 WeakPolarHBondContact O-CB 3.39Å; F433-L437 PolarHBondContact O-N 3.05Å; F433-L460 HydrophobicContact CE2-CD2 3.87Å; F433-L460 HydrophobicContact CZ-CD1 4.22Å; F433-L460 HydrophobicContact CZ-CD2 4.01Å; F433-L479 HydrophobicContact CE2-CD2 4.29Å; F433-L479 HydrophobicContact CZ-CD2 3.96Å; F433-A482 HydrophobicContact CE1-CB 3.76Å; F433-A482 HydrophobicContact CZ-CB 3.83Å
434Y97.4Very high95.8Very high10 Ų1050 Ų504%0.03923%0.232CC..Hα-helixtrans-66.6-31.2-179.8-80.8-84.1000113.3T430 L437 N438 Q478 H481 A482 I503 P505T430-Y434 HydrophobicContact CG2-CD2 3.84Å; T430-Y434 HydrophobicContact CG2-CE2 3.93Å; T430-Y434 WeakPolarHBondContact O-CD2 3.49Å; T430-Y434 PolarHBondContact O-N 2.96Å; Y434-L437 HydrophobicContact CD1-CD2 4.26Å; Y434-L437 HydrophobicContact CE1-CD2 4.44Å; Y434-N438 WeakPolarHBondContact O-CB 3.3Å; Y434-N438 PolarHBondContact O-N 2.85Å; Y434-N438 PolarHBondContact O-ND2 3.14Å; Y434-Q478 HydrophobicContact CE2-CB 4.41Å; Y434-Q478 PolarHBondContact OH-O 2.7Å; Y434-Q478 PolarHBondContact OH-OE1 3.16Å; Y434-H481 PolarHBondContact OH-CD2 2.96Å; Y434-A482 HydrophobicContact CE1-CB 4.28Å; Y434-I503 HydrophobicContact CD1-CB 4.43Å; Y434-I503 HydrophobicContact CD1-CG2 4.04Å; Y434-I503 WeakPolarHBondContact CD1-O 3.43Å; Y434-I503 HydrophobicContact CE1-CG2 3.74Å; Y434-P505 HydrophobicContact CD2-CB 3.89Å; Y434-P505 HydrophobicContact CD2-CG 4.45Å; Y434-P505 HydrophobicContact CE2-CB 3.54Å
435K97Very high95.8Very high136 Ų13644.8 Ų44.859%0.59121%0.214SC*.Hα-helixtrans-64-45.4173.7-175.7176.8179.6175.80111.9Q431 T432 F433 R439Q431-K435 WeakPolarHBondContact O-CB 3.5Å; Q431-K435 PolarHBondContact O-N 3.23Å; T432-K435 PolarHBondContact O-N 2.86Å; F433-K435 VanDerWaalsContact C-N 3.33Å; F433-K435 PolarHBondContact O-N 3.07Å; K435-R439 PolarHBondContact O-N 3.45Å
436E97.4Very high95.9Very high14 Ų1443 Ų437%0.06522%0.22CC..Hα-helixtrans-70.7-38.9179.2-60.9-73.3131.500111.4K418 I419 T432 F433 R439 L440K418-E436 WeakPolarHBondContact CD-OE2 3.45Å; K418-E436 VanDerWaalsContact CE-CD 3.48Å; K418-E436 WeakPolarHBondContact CE-OE2 3.27Å; K418-E436 IonicContact NZ-OE1 2.9Å; K418-E436 PolarHBondContact NZ-OE1 3.2Å; K418-E436 IonicContact NZ-OE2 2.86Å; K418-E436 PolarHBondContact NZ-OE2 2.86Å; I419-E436 HydrophobicContact CG1-CB 3.77Å; T432-E436 WeakPolarHBondContact O-CG 3.39Å; T432-E436 PolarHBondContact O-N 3.01Å; T432-E436 VanDerWaalsContact O-N 3.1Å; F433-E436 PolarHBondContact O-N 3.06Å; E436-R439 WeakPolarHBondContact O-CB 3.29Å; E436-R439 PolarHBondContact O-N 3.43Å; E436-R439 IonicContact OE1-CZ 2.75Å; E436-R439 IonicContact OE1-NH1 3.68Å; E436-R439 PolarHBondContact OE1-NH1 3.02Å; E436-R439 IonicContact OE2-CZ 3.27Å; E436-R439 IonicContact OE2-NH1 3.79Å; E436-R439 PolarHBondContact OE2-NH1 2.95Å; E436-R439 IonicContact OE2-NH2 2.84Å; E436-R439 PolarHBondContact OE2-NH2 2.8Å; E436-L440 PolarHBondContact O-N 2.88Å
437L97.4Very high96Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-59.8-49174.5-176.268.2000111.7F433 Y434 R439 L440 R441 L460 A482 L486 I503F433-L437 HydrophobicContact CE1-CD2 4.39Å; F433-L437 HydrophobicContact CZ-CD2 4.38Å; F433-L437 WeakPolarHBondContact O-CB 3.39Å; F433-L437 PolarHBondContact O-N 3.05Å; Y434-L437 HydrophobicContact CD1-CD2 4.26Å; Y434-L437 HydrophobicContact CE1-CD2 4.44Å; L437-R439 VanDerWaalsContact C-N 3.32Å; L437-R439 PolarHBondContact O-N 3.25Å; L437-L440 PolarHBondContact O-N 2.8Å; L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.08Å; L437-L460 HydrophobicContact CD1-CD1 4.06Å; L437-A482 HydrophobicContact CD2-CB 3.67Å; L437-L486 HydrophobicContact CD1-CD1 4.06Å; L437-L486 HydrophobicContact CD1-CD2 3.98Å; L437-L486 HydrophobicContact CG-CD1 4.44Å; L437-I503 HydrophobicContact CD2-CD1 4.06Å; L437-I503 HydrophobicContact CG-CD1 4.43Å
438N97Very high96.2Very high14 Ų1448.6 Ų48.68%0.07525%0.254CS..Hα-helixtrans-67.1-31.5177.2-80.2-67.5000112.6Y434 R441 K442 N502 I503Y434-N438 WeakPolarHBondContact O-CB 3.3Å; Y434-N438 PolarHBondContact O-N 2.85Å; Y434-N438 PolarHBondContact O-ND2 3.14Å; N438-R441 PolarHBondContact O-N 2.88Å; N438-R441 PolarHBondContact OD1-NE 2.87Å; N438-K442 WeakPolarHBondContact O-CB 3.43Å; N438-K442 WeakPolarHBondContact O-CG 3.34Å; N438-K442 PolarHBondContact O-N 3.22Å; N438-N502 WeakPolarHBondContact OD1-CA 3.43Å; N438-I503 PolarHBondContact ND2-O 3.27Å; N438-I503 PolarHBondContact OD1-N 3.37Å
439R96.8Very high96.4Very high43 Ų4345.8 Ų45.816%0.16224%0.24CC..Hα-helixtrans-60.1-51.5171.6-176.5-178.873.4-122.1-1.2110.5D415 K435 E436 L437 R441 K442 A443D415-R439 IonicContact OD1-CZ 2.78Å; D415-R439 IonicContact OD1-NE 2.73Å; D415-R439 IonicContact OD1-NH2 2.8Å; D415-R439 PolarHBondContact OD1-NH2 2.95Å; K435-R439 PolarHBondContact O-N 3.45Å; E436-R439 WeakPolarHBondContact O-CB 3.29Å; E436-R439 PolarHBondContact O-N 3.43Å; E436-R439 IonicContact OE1-CZ 2.75Å; E436-R439 IonicContact OE1-NH1 3.68Å; E436-R439 PolarHBondContact OE1-NH1 3.02Å; E436-R439 IonicContact OE2-CZ 3.27Å; E436-R439 IonicContact OE2-NH1 3.79Å; E436-R439 PolarHBondContact OE2-NH1 2.95Å; E436-R439 IonicContact OE2-NH2 2.84Å; E436-R439 PolarHBondContact OE2-NH2 2.8Å; L437-R439 VanDerWaalsContact C-N 3.32Å; L437-R439 PolarHBondContact O-N 3.25Å; R439-R441 VanDerWaalsContact C-N 3.33Å; R439-R441 PolarHBondContact O-N 2.6Å; R439-K442 PolarHBondContact O-N 3.3Å; R439-A443 WeakPolarHBondContact O-CB 3.29Å; R439-A443 PolarHBondContact O-N 2.65Å
440L97.8Very high96.4Very high2 Ų244.8 Ų44.81%0.0124%0.238CC..Hα-helixtrans-60.7-44.1178.2-175.4151.1000110.7W406 V416 I419 E436 L437 A443 A444 L452 L453 V456W406-L440 HydrophobicContact CH2-CG 3.84Å; W406-L440 HydrophobicContact CZ2-CB 4.44Å; W406-L440 HydrophobicContact CZ2-CD1 4.34Å; W406-L440 HydrophobicContact CZ2-CG 3.88Å; V416-L440 HydrophobicContact CG2-CD1 3.91Å; I419-L440 HydrophobicContact CD1-CB 3.84Å; I419-L440 HydrophobicContact CD1-CD1 3.6Å; I419-L440 HydrophobicContact CD1-CG 4.31Å; E436-L440 PolarHBondContact O-N 2.88Å; L437-L440 PolarHBondContact O-N 2.8Å; L440-A443 PolarHBondContact O-N 2.91Å; L440-A444 WeakPolarHBondContact O-CB 3.43Å; L440-A444 PolarHBondContact O-N 3.48Å; L440-L452 HydrophobicContact CD2-CD2 4.19Å; L440-L452 HydrophobicContact CD2-CG 4.3Å; L440-L452 HydrophobicContact CG-CD2 4.34Å; L440-L453 HydrophobicContact CD2-CD2 3.75Å; L440-V456 HydrophobicContact CD1-CG2 4.05Å; L440-V456 HydrophobicContact CD2-CG2 4.18Å
441R97Very high96.5Very high0 Ų048.7 Ų48.70%026%0.258CS..Hα-helixtrans-55.4-54.9176.6-170.5-168.367.782.910.2111.8L437 N438 R439 A443 A444 L445 L453 L486 A489 Y496 A498 Y499 Q501L437-R441 WeakPolarHBondContact O-CB 3.34Å; L437-R441 PolarHBondContact O-N 3.08Å; N438-R441 PolarHBondContact O-N 2.88Å; N438-R441 PolarHBondContact OD1-NE 2.87Å; R439-R441 VanDerWaalsContact C-N 3.33Å; R439-R441 PolarHBondContact O-N 2.6Å; R441-A443 VanDerWaalsContact C-N 3.33Å; R441-A443 PolarHBondContact O-N 2.97Å; R441-A444 PolarHBondContact O-N 3.32Å; R441-L445 HydrophobicContact CG-CD1 4.09Å; R441-L445 VanDerWaalsContact O-CG 3.29Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.04Å; R441-L453 HydrophobicContact CB-CD2 4.5Å; R441-L453 HydrophobicContact CG-CD2 4.5Å; R441-L486 HydrophobicContact CB-CD1 4.1Å; R441-L486 HydrophobicContact CG-CD1 4.15Å; R441-A489 HydrophobicContact CG-CB 4.24Å; R441-Y496 PolarHBondContact NH1-O 2.88Å; R441-A498 PolarHBondContact NH1-O 3.06Å; R441-A498 PolarHBondContact NH2-O 2.97Å; R441-Y499 PolarHBondContact NH2-O 2.86Å; R441-Q501 PolarHBondContact NH1-O 3.16Å; R441-Q501 PolarHBondContact NH2-O 3.19Å
442K96.8Very high96.5Very high44 Ų4441.5 Ų41.519%0.19123%0.225CC..Hα-helixtrans-60-42.9-179.3-74-170.1-173.8-145.60112N438 R439 L445 A446 Y499 N502N438-K442 WeakPolarHBondContact O-CB 3.43Å; N438-K442 WeakPolarHBondContact O-CG 3.34Å; N438-K442 PolarHBondContact O-N 3.22Å; R439-K442 PolarHBondContact O-N 3.3Å; K442-L445 PolarHBondContact O-N 3.24Å; K442-A446 WeakPolarHBondContact O-CB 3.43Å; K442-A446 PolarHBondContact O-N 2.97Å; K442-Y499 HydrophobicContact CB-CD2 4.16Å; K442-Y499 HydrophobicContact CB-CE2 3.59Å; K442-Y499 HydrophobicContact CD-CE1 4.13Å; K442-Y499 HydrophobicContact CD-CE2 4.29Å; K442-Y499 WeakPolarHBondContact CE-O 3.48Å; K442-Y499 HydrophobicContact CG-CD2 4.25Å; K442-Y499 HydrophobicContact CG-CE2 4.04Å; K442-Y499 PolarHBondContact NZ-O 3.42Å; K442-Y499 WeakPolarHBondContact O-CE2 3.28Å; K442-N502 WeakPolarHBondContact CE-OD1 3.37Å; K442-N502 PolarHBondContact NZ-OD1 2.89Å
443A96.8Very high96.6Very high9 Ų938.9 Ų38.97%0.07421%0.209CC..Hα-helixtrans-65-44.3177.600000112.4T404 W406 R439 L440 R441 L445 A446 F447T404-A443 HydrophobicContact CG2-CB 3.6Å; W406-A443 HydrophobicContact CH2-CB 3.63Å; W406-A443 HydrophobicContact CZ2-CB 4.09Å; W406-A443 HydrophobicContact CZ3-CB 4.09Å; R439-A443 WeakPolarHBondContact O-CB 3.29Å; R439-A443 PolarHBondContact O-N 2.65Å; L440-A443 PolarHBondContact O-N 2.91Å; R441-A443 VanDerWaalsContact C-N 3.33Å; R441-A443 PolarHBondContact O-N 2.97Å; A443-L445 VanDerWaalsContact C-N 3.35Å; A443-L445 PolarHBondContact O-N 3.44Å; A443-A446 PolarHBondContact O-N 3.11Å; A443-F447 HydrophobicContact CB-CE2 4.21Å; A443-F447 WeakPolarHBondContact O-CB 3.31Å; A443-F447 VanDerWaalsContact O-CD2 3.23Å; A443-F447 WeakPolarHBondContact O-CD2 3.34Å; A443-F447 VanDerWaalsContact O-CG 3.27Å; A443-F447 WeakPolarHBondContact O-CG 3.48Å; A443-F447 PolarHBondContact O-N 3.35Å
444A96.5Very high96.5Very high0 Ų043.1 Ų43.10%023%0.227CC..Hα-helixtrans-63.2-40.4177.500000112.3W406 L440 R441 G448 F449 L452 L453W406-A444 HydrophobicContact CH2-CB 4.28Å; W406-A444 HydrophobicContact CZ3-CB 4.11Å; L440-A444 WeakPolarHBondContact O-CB 3.43Å; L440-A444 PolarHBondContact O-N 3.48Å; R441-A444 PolarHBondContact O-N 3.32Å; A444-G448 CarbonylContact O-C 3.59Å; A444-G448 PolarHBondContact O-N 3.47Å; A444-F449 PolarHBondContact O-N 2.98Å; A444-L452 HydrophobicContact CB-CD2 4.44Å; A444-L453 HydrophobicContact CB-CD1 4.29Å; A444-L453 HydrophobicContact CB-CD2 3.62Å; A444-L453 HydrophobicContact CB-CG 3.84Å
445L94.9Very high96.5Very high32 Ų3244.3 Ų44.317%0.16824%0.243CC..Hα-helixtrans-63.8-44.9174.6-68.7172.6000111.6R441 K442 A443 F447 G448 L450 L453 A497R441-L445 HydrophobicContact CG-CD1 4.09Å; R441-L445 VanDerWaalsContact O-CG 3.29Å; R441-L445 WeakPolarHBondContact O-CG 3.39Å; R441-L445 PolarHBondContact O-N 3.04Å; K442-L445 PolarHBondContact O-N 3.24Å; A443-L445 VanDerWaalsContact C-N 3.35Å; A443-L445 PolarHBondContact O-N 3.44Å; L445-F447 PolarHBondContact O-N 2.97Å; L445-G448 PolarHBondContact O-N 3.41Å; L445-L450 HydrophobicContact CD2-CD2 3.75Å; L445-L453 HydrophobicContact CD2-CD1 4.25Å; L445-L453 HydrophobicContact CG-CD1 4.48Å; L445-A497 WeakPolarHBondContact CD1-O 3.26Å
446A96Very high96.5Very high69 Ų6938 Ų3857%0.5722%0.215SC*.Hα-helixtrans-64.9-37.9178.800000112.8K442 A443 G448 Y499K442-A446 WeakPolarHBondContact O-CB 3.43Å; K442-A446 PolarHBondContact O-N 2.97Å; A443-A446 PolarHBondContact O-N 3.11Å; A446-G448 VanDerWaalsContact C-N 3.32Å; A446-Y499 HydrophobicContact CB-CE2 4.31Å
447F96.1Very high96.5Very high119 Ų11937.3 Ų37.352%0.52221%0.212SC..Hα-helixtrans-81.9-7.9177-60.6-31.8000113.7T404 W406 A443 L445 F449T404-F447 HydrophobicContact CG2-CE2 4.31Å; W406-F447 HydrophobicContact CD2-CE2 4.34Å; W406-F447 AromaticContact CE3-CD2 3.69Å; W406-F447 HydrophobicContact CE3-CD2 3.69Å; W406-F447 AromaticContact CE3-CE2 3.92Å; W406-F447 HydrophobicContact CE3-CE2 3.92Å; W406-F447 AromaticContact CZ3-CD2 3.91Å; W406-F447 HydrophobicContact CZ3-CD2 3.91Å; W406-F447 HydrophobicContact CZ3-CE2 4.29Å; A443-F447 HydrophobicContact CB-CE2 4.21Å; A443-F447 WeakPolarHBondContact O-CB 3.31Å; A443-F447 VanDerWaalsContact O-CD2 3.23Å; A443-F447 WeakPolarHBondContact O-CD2 3.34Å; A443-F447 VanDerWaalsContact O-CG 3.27Å; A443-F447 WeakPolarHBondContact O-CG 3.48Å; A443-F447 PolarHBondContact O-N 3.35Å; L445-F447 PolarHBondContact O-N 2.97Å; F447-F449 HydrophobicContact CB-CB 4.42Å; F447-F449 PolarHBondContact O-N 3.03Å
448G95.3Very high96.5Very high56 Ų5640.9 Ų40.958%0.57723%0.231SC*.THydrogen-bonded Turntrans67.818.5-171.600000113.9A444 L445 A446 L450A444-G448 CarbonylContact O-C 3.59Å; A444-G448 PolarHBondContact O-N 3.47Å; L445-G448 PolarHBondContact O-N 3.41Å; A446-G448 VanDerWaalsContact C-N 3.32Å; G448-L450 VanDerWaalsContact C-N 3.31Å; G448-L450 PolarHBondContact O-N 3.24Å; G448-L450 VanDerWaalsContact O-N 3.12Å
449F96.3Very high96.5Very high89 Ų8943.4 Ų43.439%0.3924%0.243SC..  trans-89.261.1-177.6-168.421.3000111.8W406 L412 A444 F447 D451 L452W406-F449 HydrophobicContact CE3-CD2 4.25Å; W406-F449 HydrophobicContact CZ3-CD2 4.49Å; L412-F449 HydrophobicContact CD2-CE2 4.08Å; A444-F449 PolarHBondContact O-N 2.98Å; F447-F449 HydrophobicContact CB-CB 4.42Å; F447-F449 PolarHBondContact O-N 3.03Å; F449-D451 VanDerWaalsContact C-N 3.33Å; F449-D451 PolarHBondContact O-N 3.49Å; F449-L452 HydrophobicContact CD1-CB 4.24Å; F449-L452 HydrophobicContact CD2-CB 3.7Å; F449-L452 HydrophobicContact CD2-CD2 3.85Å; F449-L452 HydrophobicContact CD2-CG 4.36Å; F449-L452 HydrophobicContact CE1-CB 4.29Å; F449-L452 HydrophobicContact CE2-CB 3.77Å; F449-L452 HydrophobicContact CE2-CD1 4.49Å; F449-L452 HydrophobicContact CE2-CD2 4.06Å; F449-L452 HydrophobicContact CE2-CG 4.32Å; F449-L452 HydrophobicContact CG-CB 3.95Å; F449-L452 HydrophobicContact CZ-CB 4.06Å; F449-L452 WeakPolarHBondContact O-CB 3.46Å; F449-L452 PolarHBondContact O-N 3.45Å
450L95.3Very high96.5Very high56 Ų5641.3 Ų41.329%0.29324%0.236SC..Hα-helixtrans-68.4-28.2-171-56.9-176.9000114L445 G448 L452 L453L445-L450 HydrophobicContact CD2-CD2 3.75Å; G448-L450 VanDerWaalsContact C-N 3.31Å; G448-L450 PolarHBondContact O-N 3.24Å; G448-L450 VanDerWaalsContact O-N 3.12Å; L450-L452 PolarHBondContact O-N 3.26Å; L450-L453 HydrophobicContact CD2-CD1 4.39Å; L450-L453 WeakPolarHBondContact O-CB 3.41Å; L450-L453 PolarHBondContact O-N 3.06Å
451D96.1Very high96.4Very high105 Ų10544.6 Ų44.656%0.56125%0.251SS*.Hα-helixtrans-65.6-25.5177.9-70.8-26.1000112.8F449 L453 K454 G455F449-D451 VanDerWaalsContact C-N 3.33Å; F449-D451 PolarHBondContact O-N 3.49Å; D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.31Å; D451-K454 PolarHBondContact O-N 3.41Å; D451-K454 IonicContact OD1-NZ 2.77Å; D451-K454 PolarHBondContact OD1-NZ 3.47Å; D451-G455 PolarHBondContact O-N 2.98Å
452L96.4Very high96.4Very high18 Ų1852.1 Ų52.19%0.09428%0.279CS..Hα-helixtrans-61.5-38.4171.4176.561.2000111.7W406 L412 L440 A444 F449 L450 K454 G455 V456W406-L452 HydrophobicContact CD2-CD2 4.48Å; W406-L452 HydrophobicContact CE3-CD2 3.87Å; W406-L452 HydrophobicContact CH2-CD2 3.48Å; W406-L452 VanDerWaalsContact CH2-CD2 3.48Å; W406-L452 HydrophobicContact CZ2-CD2 4.13Å; W406-L452 HydrophobicContact CZ3-CD2 3.33Å; L412-L452 HydrophobicContact CD1-CD1 3.74Å; L412-L452 HydrophobicContact CD1-CD2 3.49Å; L412-L452 VanDerWaalsContact CD1-CD2 3.49Å; L412-L452 HydrophobicContact CD1-CG 4.26Å; L412-L452 HydrophobicContact CD2-CD1 4.19Å; L412-L452 HydrophobicContact CG-CD1 4.39Å; L440-L452 HydrophobicContact CD2-CD2 4.19Å; L440-L452 HydrophobicContact CD2-CG 4.3Å; L440-L452 HydrophobicContact CG-CD2 4.34Å; A444-L452 HydrophobicContact CB-CD2 4.44Å; F449-L452 HydrophobicContact CD1-CB 4.24Å; F449-L452 HydrophobicContact CD2-CB 3.7Å; F449-L452 HydrophobicContact CD2-CD2 3.85Å; F449-L452 HydrophobicContact CD2-CG 4.36Å; F449-L452 HydrophobicContact CE1-CB 4.29Å; F449-L452 HydrophobicContact CE2-CB 3.77Å; F449-L452 HydrophobicContact CE2-CD1 4.49Å; F449-L452 HydrophobicContact CE2-CD2 4.06Å; F449-L452 HydrophobicContact CE2-CG 4.32Å; F449-L452 HydrophobicContact CG-CB 3.95Å; F449-L452 HydrophobicContact CZ-CB 4.06Å; F449-L452 WeakPolarHBondContact O-CB 3.46Å; F449-L452 PolarHBondContact O-N 3.45Å; L450-L452 PolarHBondContact O-N 3.26Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.42Å; L452-G455 PolarHBondContact O-N 2.78Å; L452-V456 HydrophobicContact CD1-CG2 3.85Å; L452-V456 HydrophobicContact CG-CG2 4.26Å; L452-V456 WeakPolarHBondContact O-CG2 3.23Å; L452-V456 PolarHBondContact O-N 2.88Å
453L96.6Very high96.3Very high0 Ų051.4 Ų51.40%028%0.276CS..Hα-helixtrans-64.8-40179.9-60.9-176.8000111.5L440 R441 A444 L445 L450 D451 A457 L486 A489L440-L453 HydrophobicContact CD2-CD2 3.75Å; R441-L453 HydrophobicContact CB-CD2 4.5Å; R441-L453 HydrophobicContact CG-CD2 4.5Å; A444-L453 HydrophobicContact CB-CD1 4.29Å; A444-L453 HydrophobicContact CB-CD2 3.62Å; A444-L453 HydrophobicContact CB-CG 3.84Å; L445-L453 HydrophobicContact CD2-CD1 4.25Å; L445-L453 HydrophobicContact CG-CD1 4.48Å; L450-L453 HydrophobicContact CD2-CD1 4.39Å; L450-L453 WeakPolarHBondContact O-CB 3.41Å; L450-L453 PolarHBondContact O-N 3.06Å; D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.31Å; L453-A457 WeakPolarHBondContact O-CB 3.37Å; L453-A457 PolarHBondContact O-N 3.01Å; L453-L486 HydrophobicContact CB-CG 4.21Å; L453-L486 HydrophobicContact CD2-CD1 3.91Å; L453-L486 HydrophobicContact CD2-CG 4.15Å; L453-L486 WeakPolarHBondContact O-CD2 3.38Å; L453-A489 HydrophobicContact CD1-CB 4.27Å
454K95.7Very high96.1Very high90 Ų9052 Ų5239%0.39128%0.28SS..Hα-helixtrans-61.5-50.2173.5-59.6173.7-168.7152.90110.4D451 L452 V456 A457 D458 S490D451-K454 PolarHBondContact O-N 3.41Å; D451-K454 IonicContact OD1-NZ 2.77Å; D451-K454 PolarHBondContact OD1-NZ 3.47Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.42Å; K454-V456 PolarHBondContact O-N 2.92Å; K454-A457 WeakPolarHBondContact O-CB 3.24Å; K454-A457 PolarHBondContact O-N 3.47Å; K454-D458 PolarHBondContact O-N 3.43Å; K454-S490 WeakPolarHBondContact CG-OG 3.35Å
455G97Very high96Very high35 Ų3557.5 Ų57.536%0.36131%0.314SS..Hα-helixtrans-59.5-44.3179.900000113.3D451 L452 D458 M459D451-G455 PolarHBondContact O-N 2.98Å; L452-G455 PolarHBondContact O-N 2.78Å; G455-D458 PolarHBondContact O-N 3.06Å; G455-M459 VanDerWaalsContact O-CG 3.3Å; G455-M459 WeakPolarHBondContact O-CG 3.26Å; G455-M459 PolarHBondContact O-N 3.42Å; G455-M459 VanDerWaalsContact O-N 3.12Å
456V97.5Very high95.9Very high3 Ų361.5 Ų61.52%0.01834%0.335CS..Hα-helixtrans-67.9-37177.5174.30000111.5V416 L440 L452 K454 M459 L460 L486V416-V456 HydrophobicContact CG2-CG2 3.93Å; L440-V456 HydrophobicContact CD1-CG2 4.05Å; L440-V456 HydrophobicContact CD2-CG2 4.18Å; L452-V456 HydrophobicContact CD1-CG2 3.85Å; L452-V456 HydrophobicContact CG-CG2 4.26Å; L452-V456 WeakPolarHBondContact O-CG2 3.23Å; L452-V456 PolarHBondContact O-N 2.88Å; K454-V456 PolarHBondContact O-N 2.92Å; V456-M459 WeakPolarHBondContact O-CB 3.5Å; V456-M459 PolarHBondContact O-N 3.04Å; V456-L460 WeakPolarHBondContact O-CG 3.39Å; V456-L460 PolarHBondContact O-N 3.03Å; V456-L486 HydrophobicContact CB-CD2 3.79Å; V456-L486 HydrophobicContact CG1-CD2 3.65Å
457A97.3Very high95.7Very high0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-63-45176.400000112.1L453 K454 M459 L460 E461 A483 L486 K487L453-A457 WeakPolarHBondContact O-CB 3.37Å; L453-A457 PolarHBondContact O-N 3.01Å; K454-A457 WeakPolarHBondContact O-CB 3.24Å; K454-A457 PolarHBondContact O-N 3.47Å; A457-M459 PolarHBondContact O-N 3.1Å; A457-L460 PolarHBondContact O-N 2.91Å; A457-L460 VanDerWaalsContact O-N 3.09Å; A457-E461 PolarHBondContact O-N 2.87Å; A457-A483 HydrophobicContact CB-CB 4.39Å; A457-A483 WeakPolarHBondContact CB-O 3.35Å; A457-L486 HydrophobicContact CB-CB 4.14Å; A457-L486 HydrophobicContact CB-CD2 4.27Å; A457-K487 HydrophobicContact CB-CD 4.32Å; A457-K487 HydrophobicContact CB-CG 3.58Å
458D97.4Very high95.4Very high74 Ų7458.3 Ų58.340%0.39632%0.318SS..Hα-helixtrans-62.8-33.1176.3-65-23.7000111.8K454 G455 R462 K487K454-D458 PolarHBondContact O-N 3.43Å; G455-D458 PolarHBondContact O-N 3.06Å; D458-R462 WeakPolarHBondContact O-CB 3.28Å; D458-R462 PolarHBondContact O-N 2.97Å; D458-R462 VanDerWaalsContact O-N 3.07Å; D458-K487 WeakPolarHBondContact OD1-CE 3.49Å; D458-K487 IonicContact OD1-NZ 3.67Å; D458-K487 PolarHBondContact OD1-NZ 3.47Å
459M96.6Very high95Very high67 Ų6764.1 Ų64.133%0.3334%0.335SS..Hα-helixtrans-67.2-39.8172.4-68.7179.482.100112.2V416 L420 G455 V456 A457 R462 E463V416-M459 HydrophobicContact CG1-CE 3.98Å; V416-M459 HydrophobicContact CG1-SD 3.85Å; L420-M459 HydrophobicContact CD1-CE 3.58Å; L420-M459 HydrophobicContact CD2-CB 4.31Å; G455-M459 VanDerWaalsContact O-CG 3.3Å; G455-M459 WeakPolarHBondContact O-CG 3.26Å; G455-M459 PolarHBondContact O-N 3.42Å; G455-M459 VanDerWaalsContact O-N 3.12Å; V456-M459 WeakPolarHBondContact O-CB 3.5Å; V456-M459 PolarHBondContact O-N 3.04Å; A457-M459 PolarHBondContact O-N 3.1Å; M459-R462 WeakPolarHBondContact O-CB 3.46Å; M459-R462 PolarHBondContact O-N 3.26Å; M459-E463 WeakPolarHBondContact O-CG 3.48Å; M459-E463 PolarHBondContact O-N 3.31Å
460L97.1Very high94.7Very high0 Ų066.3 Ų66.30%036%0.356CS..Hα-helixtrans-67.3-39.3176.5-68177.1000112.2I419 A423 F433 L437 V456 A457 R462 E463 C464 L479 A482 A483I419-L460 HydrophobicContact CG2-CD2 4.3Å; A423-L460 HydrophobicContact CB-CD2 4.28Å; F433-L460 HydrophobicContact CE2-CD2 3.87Å; F433-L460 HydrophobicContact CZ-CD1 4.22Å; F433-L460 HydrophobicContact CZ-CD2 4.01Å; L437-L460 HydrophobicContact CD1-CD1 4.06Å; V456-L460 WeakPolarHBondContact O-CG 3.39Å; V456-L460 PolarHBondContact O-N 3.03Å; A457-L460 PolarHBondContact O-N 2.91Å; A457-L460 VanDerWaalsContact O-N 3.09Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.06Å; L460-E463 PolarHBondContact O-N 3.26Å; L460-C464 WeakPolarHBondContact O-CB 3.33Å; L460-C464 PolarHBondContact O-N 2.86Å; L460-L479 HydrophobicContact CD2-CD2 4.16Å; L460-A482 HydrophobicContact CD1-CB 4.11Å; L460-A483 HydrophobicContact CB-CB 3.97Å
461E96.6Very high94.4Very high70 Ų7065.4 Ų65.433%0.32736%0.357SS..Hα-helixtrans-59.5-44.8172.4-73.5173.3-17900110.8A457 C464 T465 A483 K487A457-E461 PolarHBondContact O-N 2.87Å; E461-C464 WeakPolarHBondContact O-CB 3.49Å; E461-C464 PolarHBondContact O-N 3.47Å; E461-T465 PolarHBondContact O-N 3.39Å; E461-T465 VanDerWaalsContact O-N 3.11Å; E461-A483 HydrophobicContact CG-CB 3.72Å; E461-K487 WeakPolarHBondContact OE1-CE 3.4Å; E461-K487 IonicContact OE1-NZ 3.21Å; E461-K487 PolarHBondContact OE1-NZ 3.01Å; E461-K487 IonicContact OE2-NZ 2.61Å; E461-K487 PolarHBondContact OE2-NZ 2.93Å
462R95.8Very high94.1Very high159 Ų15964.1 Ų64.160%0.635%0.347SS*.Hα-helixtrans-60.5-47.5175.5-170.8-173.6-58.6176.62.3112D458 M459 L460 C464 T465 L466D458-R462 WeakPolarHBondContact O-CB 3.28Å; D458-R462 PolarHBondContact O-N 2.97Å; D458-R462 VanDerWaalsContact O-N 3.07Å; M459-R462 WeakPolarHBondContact O-CB 3.46Å; M459-R462 PolarHBondContact O-N 3.26Å; L460-R462 VanDerWaalsContact C-N 3.32Å; L460-R462 PolarHBondContact O-N 3.06Å; R462-C464 VanDerWaalsContact C-N 3.26Å; R462-C464 PolarHBondContact O-N 3.06Å; R462-T465 PolarHBondContact O-N 3.18Å; R462-T465 VanDerWaalsContact O-N 3.17Å; R462-T465 PolarHBondContact O-OG1 2.9Å; R462-L466 HydrophobicContact CG-CD1 3.92Å; R462-L466 WeakPolarHBondContact O-CG 3.37Å; R462-L466 PolarHBondContact O-N 3.49Å; R462-L466 VanDerWaalsContact O-N 3.12Å
463E94.1Very high93.7Very high28 Ų2866.4 Ų66.413%0.13136%0.364CS..Hα-helixtrans-61.5-35.5177.1-69.8-69.415500112L420 R424 M459 L460 T465 L466 L467L420-E463 HydrophobicContact CD2-CG 3.74Å; R424-E463 WeakPolarHBondContact CG-OE2 3.43Å; R424-E463 IonicContact CZ-OE1 2.85Å; R424-E463 IonicContact CZ-OE2 3.91Å; R424-E463 IonicContact NE-OE1 2.71Å; R424-E463 IonicContact NE-OE2 3.08Å; R424-E463 PolarHBondContact NE-OE2 3.38Å; R424-E463 IonicContact NH2-OE1 2.7Å; R424-E463 PolarHBondContact NH2-OE1 3.04Å; R424-E463 IonicContact NH2-OE2 2.81Å; R424-E463 PolarHBondContact NH2-OE2 3.23Å; M459-E463 WeakPolarHBondContact O-CG 3.48Å; M459-E463 PolarHBondContact O-N 3.31Å; L460-E463 PolarHBondContact O-N 3.26Å; E463-T465 VanDerWaalsContact C-N 3.34Å; E463-T465 PolarHBondContact O-N 2.9Å; E463-L466 CarbonylContact O-C 3.54Å; E463-L466 PolarHBondContact O-N 3.2Å; E463-L467 PolarHBondContact O-N 2.98Å
464C94.4Very high93.4Very high23 Ų2366.9 Ų66.916%0.15537%0.366CS..Hα-helixtrans-62.1-40.7174.8-1690000112L460 E461 R462 L466 L467 L479 T480L460-C464 WeakPolarHBondContact O-CB 3.33Å; L460-C464 PolarHBondContact O-N 2.86Å; E461-C464 WeakPolarHBondContact O-CB 3.49Å; E461-C464 PolarHBondContact O-N 3.47Å; R462-C464 VanDerWaalsContact C-N 3.26Å; R462-C464 PolarHBondContact O-N 3.06Å; C464-L466 VanDerWaalsContact C-N 3.29Å; C464-L466 PolarHBondContact O-N 2.98Å; C464-L467 WeakPolarHBondContact O-CG 3.38Å; C464-L479 HydrophobicContact CB-CB 3.89Å; C464-L479 HydrophobicContact CB-CD1 4.11Å; C464-T480 PolarHBondContact SG-OG1 3.07Å
465T93.4Very high93.2Very high115 Ų11562.7 Ų62.771%0.70635%0.348SS*.Hα-helixtrans-72.6-20.4176.762.20000113.9E461 R462 E463E461-T465 PolarHBondContact O-N 3.39Å; E461-T465 VanDerWaalsContact O-N 3.11Å; R462-T465 PolarHBondContact O-N 3.18Å; R462-T465 VanDerWaalsContact O-N 3.17Å; R462-T465 PolarHBondContact O-OG1 2.9Å; E463-T465 VanDerWaalsContact C-N 3.34Å; E463-T465 PolarHBondContact O-N 2.9Å
466L93.7Very high93Very high115 Ų11562.8 Ų62.860%0.60235%0.345SS*.THydrogen-bonded Turntrans-98.58.5-179.5-67172.2000113R462 E463 C464R462-L466 HydrophobicContact CG-CD1 3.92Å; R462-L466 WeakPolarHBondContact O-CG 3.37Å; R462-L466 PolarHBondContact O-N 3.49Å; R462-L466 VanDerWaalsContact O-N 3.12Å; E463-L466 CarbonylContact O-C 3.54Å; E463-L466 PolarHBondContact O-N 3.2Å; C464-L466 VanDerWaalsContact C-N 3.29Å; C464-L466 PolarHBondContact O-N 2.98Å
467L90.8Very high92.9Very high39 Ų3967.8 Ų67.820%0.20437%0.367CS..  trans-61131.5174.7-74.2175.8000110E463 C464 A471 A475 A476 L479E463-L467 PolarHBondContact O-N 2.98Å; C464-L467 WeakPolarHBondContact O-CG 3.38Å; L467-A471 HydrophobicContact CB-CB 4.12Å; L467-A471 HydrophobicContact CD2-CB 4.27Å; L467-A475 HydrophobicContact CD1-CB 3.93Å; L467-A475 HydrophobicContact CD2-CB 4.37Å; L467-A476 HydrophobicContact CD1-CB 4.02Å; L467-L479 HydrophobicContact CD1-CD1 4.12Å; L467-L479 HydrophobicContact CD2-CD1 4.2Å; L467-L479 HydrophobicContact CG-CD1 4.31Å
468P90.6Very high92.7Very high82 Ų8267.9 Ų67.953%0.53237%0.368SS..  trans-62.4154.3173.8-21.732.4000112T470 A471P468-T470 PolarHBondContact O-N 3.17Å; P468-A471 WeakPolarHBondContact O-CB 3.42Å; P468-A471 PolarHBondContact O-N 3.03Å
469D86.4Confident92.7Very high178 Ų17864.4 Ų64.495%0.95235%0.349SS*.THydrogen-bonded Turntrans-59.2-19175.3-63.6-30.1000113.4A471D469-A471 VanDerWaalsContact C-N 3.34Å
470T89.4Confident92.6Very high135 Ų13563.9 Ų63.983%0.82835%0.349SS*.THydrogen-bonded Turntrans-86.80.7175.761.90000113.6P468P468-T470 PolarHBondContact O-N 3.17Å
471A88.6Confident92.5Very high37 Ų3764.9 Ų64.931%0.30635%0.354SS..SBendtrans-72.1148.4179.500000111.4L467 P468 D469L467-A471 HydrophobicContact CB-CB 4.12Å; L467-A471 HydrophobicContact CD2-CB 4.27Å; P468-A471 WeakPolarHBondContact O-CB 3.42Å; P468-A471 PolarHBondContact O-N 3.03Å; D469-A471 VanDerWaalsContact C-N 3.34Å
472H90.4Very high92.5Very high78 Ų7861.5 Ų61.536%0.36134%0.338SS..  trans-68139.1177.3-175-78.6000110.7P427 D474 A475P427-H472 VanDerWaalsContact CD-CB 3.44Å; P427-H472 VanDerWaalsContact CD-CG 3.47Å; P427-H472 HydrophobicContact CG-CB 4.33Å; H472-D474 VanDerWaalsContact C-N 3.29Å; H472-D474 VanDerWaalsContact ND1-CB 3.3Å; H472-D474 WeakPolarHBondContact ND1-CB 3.26Å; H472-D474 PolarHBondContact ND1-N 3.32Å; H472-D474 VanDerWaalsContact ND1-N 3.1Å; H472-D474 PolarHBondContact O-N 2.87Å; H472-A475 VanDerWaalsContact O-CB 3.26Å; H472-A475 WeakPolarHBondContact O-CB 3.09Å; H472-A475 PolarHBondContact O-N 3.22Å
473P88.4Confident92.6Very high67 Ų6754 Ų5444%0.43531%0.31SS..Hα-helixtrans-57.2-37.4-174.620.3-33.6000113.9A475 A476 F477 F510P473-A475 PolarHBondContact O-N 3.24Å; P473-A475 VanDerWaalsContact O-N 3.16Å; P473-A476 PolarHBondContact O-N 3.18Å; P473-F477 WeakPolarHBondContact O-CD2 3.38Å; P473-F510 HydrophobicContact CB-CD1 4.38Å; P473-F510 HydrophobicContact CB-CE1 4.01Å; P473-F510 HydrophobicContact CB-CE2 4.5Å; P473-F510 HydrophobicContact CB-CZ 4.1Å; P473-F510 HydrophobicContact CG-CD1 3.89Å; P473-F510 HydrophobicContact CG-CE1 4.01Å; P473-F510 HydrophobicContact CG-CG 4.27Å; P473-F510 HydrophobicContact CG-CZ 4.49Å
474D90.6Very high92.6Very high10 Ų1057.7 Ų57.75%0.05333%0.327CS..Hα-helixtrans-56.4-29.8176.2-172.742000113.5P427 H472 A476 F477 Q478 T508 F510P427-D474 HydrophobicContact CB-CB 4.27Å; P427-D474 VanDerWaalsContact CB-OD2 3.32Å; P427-D474 WeakPolarHBondContact CB-OD2 3.49Å; H472-D474 VanDerWaalsContact C-N 3.29Å; H472-D474 VanDerWaalsContact ND1-CB 3.3Å; H472-D474 WeakPolarHBondContact ND1-CB 3.26Å; H472-D474 PolarHBondContact ND1-N 3.32Å; H472-D474 VanDerWaalsContact ND1-N 3.1Å; H472-D474 PolarHBondContact O-N 2.87Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 3.37Å; D474-F477 PolarHBondContact O-N 3.37Å; D474-Q478 VanDerWaalsContact O-CG 3.3Å; D474-Q478 WeakPolarHBondContact O-CG 3.3Å; D474-Q478 PolarHBondContact O-N 2.93Å; D474-Q478 WeakPolarHBondContact OD1-CG 3.3Å; D474-Q478 PolarHBondContact OD1-NE2 3.34Å; D474-T508 WeakPolarHBondContact OD1-CG2 3.2Å; D474-T508 PolarHBondContact OD1-OG1 2.84Å; D474-T508 VanDerWaalsContact OD1-OG1 3.07Å; D474-F510 HydrophobicContact CB-CD2 3.9Å; D474-F510 HydrophobicContact CB-CE2 4.5Å
475A91.8Very high92.6Very high1 Ų157.9 Ų57.91%0.00833%0.326CS..Hα-helixtrans-57.9-42.4-178.500000112.2L426 L467 H472 P473 L479L426-A475 HydrophobicContact CB-CB 3.8Å; L467-A475 HydrophobicContact CD1-CB 3.93Å; L467-A475 HydrophobicContact CD2-CB 4.37Å; H472-A475 VanDerWaalsContact O-CB 3.26Å; H472-A475 WeakPolarHBondContact O-CB 3.09Å; H472-A475 PolarHBondContact O-N 3.22Å; P473-A475 PolarHBondContact O-N 3.24Å; P473-A475 VanDerWaalsContact O-N 3.16Å; A475-L479 WeakPolarHBondContact O-CB 3.25Å; A475-L479 VanDerWaalsContact O-CG 3.24Å; A475-L479 WeakPolarHBondContact O-CG 3.08Å; A475-L479 PolarHBondContact O-N 3.15Å
476A93.3Very high92.7Very high37 Ų3752.4 Ų52.431%0.30629%0.293SS..Hα-helixtrans-66.9-41179.600000112.3L467 P473 D474 T480L467-A476 HydrophobicContact CD1-CB 4.02Å; P473-A476 PolarHBondContact O-N 3.18Å; D474-A476 VanDerWaalsContact C-N 3.29Å; D474-A476 PolarHBondContact O-N 3.37Å; A476-T480 WeakPolarHBondContact O-CB 3.33Å; A476-T480 PolarHBondContact O-N 3.32Å; A476-T480 PolarHBondContact O-OG1 2.68Å
477F93.7Very high92.7Very high109 Ų10950.1 Ų50.148%0.47828%0.278SS..Hα-helixtrans-62.7-47.4177.3-75.3-84.5000111.4P473 D474 H481 L506 T508 F510P473-F477 WeakPolarHBondContact O-CD2 3.38Å; D474-F477 PolarHBondContact O-N 3.37Å; F477-H481 VanDerWaalsContact O-CB 3.27Å; F477-H481 WeakPolarHBondContact O-CB 3.3Å; F477-H481 PolarHBondContact O-N 3.18Å; F477-L506 HydrophobicContact CB-CD1 4.42Å; F477-T508 HydrophobicContact CB-CG2 4.42Å; F477-F510 AromaticContact CD2-CE2 3.76Å; F477-F510 HydrophobicContact CD2-CE2 3.76Å; F477-F510 HydrophobicContact CD2-CZ 4.09Å; F477-F510 AromaticContact CE2-CE2 3.82Å; F477-F510 HydrophobicContact CE2-CE2 3.82Å; F477-F510 AromaticContact CE2-CZ 3.65Å; F477-F510 HydrophobicContact CE2-CZ 3.65Å; F477-F510 HydrophobicContact CZ-CZ 4.39Å
478Q94.7Very high92.8Very high2 Ų251.9 Ų51.91%0.00929%0.287CS..Hα-helixtrans-67.4-40.3-179.1-60.8-59.6-27.300112.4L426 Y434 D474 A482 L506L426-Q478 HydrophobicContact CD1-CB 4.01Å; Y434-Q478 HydrophobicContact CE2-CB 4.41Å; Y434-Q478 PolarHBondContact OH-O 2.7Å; Y434-Q478 PolarHBondContact OH-OE1 3.16Å; D474-Q478 VanDerWaalsContact O-CG 3.3Å; D474-Q478 WeakPolarHBondContact O-CG 3.3Å; D474-Q478 PolarHBondContact O-N 2.93Å; D474-Q478 WeakPolarHBondContact OD1-CG 3.3Å; D474-Q478 PolarHBondContact OD1-NE2 3.34Å; Q478-A482 VanDerWaalsContact O-CB 3.23Å; Q478-A482 WeakPolarHBondContact O-CB 2.99Å; Q478-A482 PolarHBondContact O-N 3.14Å; Q478-L506 PolarHBondContact NE2-O 3.08Å
479L95.8Very high92.8Very high0 Ų048 Ų480%026%0.262CS..Hα-helixtrans-67.2-44178.5-69.6177.2000112.3A423 L426 F433 L460 C464 L467 A475 A482 A483A423-L479 HydrophobicContact CB-CD2 3.56Å; L426-L479 HydrophobicContact CD1-CD2 3.66Å; L426-L479 HydrophobicContact CD1-CG 3.86Å; F433-L479 HydrophobicContact CE2-CD2 4.29Å; F433-L479 HydrophobicContact CZ-CD2 3.96Å; L460-L479 HydrophobicContact CD2-CD2 4.16Å; C464-L479 HydrophobicContact CB-CB 3.89Å; C464-L479 HydrophobicContact CB-CD1 4.11Å; L467-L479 HydrophobicContact CD1-CD1 4.12Å; L467-L479 HydrophobicContact CD2-CD1 4.2Å; L467-L479 HydrophobicContact CG-CD1 4.31Å; A475-L479 WeakPolarHBondContact O-CB 3.25Å; A475-L479 VanDerWaalsContact O-CG 3.24Å; A475-L479 WeakPolarHBondContact O-CG 3.08Å; A475-L479 PolarHBondContact O-N 3.15Å; L479-A482 PolarHBondContact O-N 3.02Å; L479-A483 WeakPolarHBondContact O-CB 3.32Å; L479-A483 PolarHBondContact O-N 2.99Å
480T95.1Very high93.1Very high56 Ų5640 Ų4034%0.34422%0.219SC..Hα-helixtrans-64-45.1178.7-52.70000110.7C464 A476 A483 Q484C464-T480 PolarHBondContact SG-OG1 3.07Å; A476-T480 WeakPolarHBondContact O-CB 3.33Å; A476-T480 PolarHBondContact O-N 3.32Å; A476-T480 PolarHBondContact O-OG1 2.68Å; T480-A483 PolarHBondContact O-N 3.37Å; T480-Q484 WeakPolarHBondContact O-CG 3.37Å; T480-Q484 PolarHBondContact O-N 2.79Å
481H96.3Very high93Very high21 Ų2137.5 Ų37.510%0.09720%0.204CC..Hα-helixtrans-59.5-51.7175.217666.5000111.7Y434 F477 A483 Q484 Q485 T504 L506Y434-H481 PolarHBondContact OH-CD2 2.96Å; F477-H481 VanDerWaalsContact O-CB 3.27Å; F477-H481 WeakPolarHBondContact O-CB 3.3Å; F477-H481 PolarHBondContact O-N 3.18Å; H481-A483 VanDerWaalsContact C-N 3.3Å; H481-A483 PolarHBondContact O-N 3.38Å; H481-Q484 PolarHBondContact O-N 3.37Å; H481-Q485 VanDerWaalsContact O-CG 3.3Å; H481-Q485 WeakPolarHBondContact O-CG 3.27Å; H481-Q485 PolarHBondContact O-N 3.32Å; H481-T504 PolarHBondContact CD2-O 3.42Å; H481-T504 PolarHBondContact NE2-O 3.09Å; H481-L506 HydrophobicContact CB-CD1 3.7Å; H481-L506 HydrophobicContact CB-CG 3.92Å
482A96.6Very high92.4Very high0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-56.7-42.7179.100000112.6F433 Y434 L437 L460 Q478 L479 L486F433-A482 HydrophobicContact CE1-CB 3.76Å; F433-A482 HydrophobicContact CZ-CB 3.83Å; Y434-A482 HydrophobicContact CE1-CB 4.28Å; L437-A482 HydrophobicContact CD2-CB 3.67Å; L460-A482 HydrophobicContact CD1-CB 4.11Å; Q478-A482 VanDerWaalsContact O-CB 3.23Å; Q478-A482 WeakPolarHBondContact O-CB 2.99Å; Q478-A482 PolarHBondContact O-N 3.14Å; L479-A482 PolarHBondContact O-N 3.02Å; A482-L486 VanDerWaalsContact O-CB 3.31Å; A482-L486 WeakPolarHBondContact O-CB 3.44Å; A482-L486 PolarHBondContact O-N 3.38Å
483A96.6Very high91.6Very high0 Ų040.6 Ų40.60%023%0.234CC..Hα-helixtrans-64.9-46.5177.800000112.5A457 L460 E461 L479 T480 H481 Q485 L486 K487A457-A483 HydrophobicContact CB-CB 4.39Å; A457-A483 WeakPolarHBondContact CB-O 3.35Å; L460-A483 HydrophobicContact CB-CB 3.97Å; E461-A483 HydrophobicContact CG-CB 3.72Å; L479-A483 WeakPolarHBondContact O-CB 3.32Å; L479-A483 PolarHBondContact O-N 2.99Å; T480-A483 PolarHBondContact O-N 3.37Å; H481-A483 VanDerWaalsContact C-N 3.3Å; H481-A483 PolarHBondContact O-N 3.38Å; A483-Q485 PolarHBondContact O-N 2.74Å; A483-L486 PolarHBondContact O-N 3.19Å; A483-K487 PolarHBondContact O-N 2.98Å
484Q95.1Very high90.9Very high106 Ų10639 Ų3950%0.49523%0.225SC..Hα-helixtrans-60.8-47.2178.6-73176.10.300111.6T480 H481 L486 K487 L488T480-Q484 WeakPolarHBondContact O-CG 3.37Å; T480-Q484 PolarHBondContact O-N 2.79Å; H481-Q484 PolarHBondContact O-N 3.37Å; Q484-L486 VanDerWaalsContact C-N 3.28Å; Q484-L486 PolarHBondContact O-N 3.49Å; Q484-K487 PolarHBondContact O-N 2.82Å; Q484-L488 WeakPolarHBondContact O-CG 3.08Å; Q484-L488 PolarHBondContact O-N 3.2Å
485Q94.3Very high89.8Confident28 Ų2845.8 Ų45.813%0.13126%0.256CS..Hα-helixtrans-64.9-33.7179-60.9-54.7-23.500112.2H481 A483 L488 A489 I503H481-Q485 VanDerWaalsContact O-CG 3.3Å; H481-Q485 WeakPolarHBondContact O-CG 3.27Å; H481-Q485 PolarHBondContact O-N 3.32Å; A483-Q485 PolarHBondContact O-N 2.74Å; Q485-L488 PolarHBondContact O-N 3.45Å; Q485-A489 PolarHBondContact O-N 3.4Å; Q485-I503 HydrophobicContact CB-CD1 3.92Å; Q485-I503 HydrophobicContact CB-CG1 4.05Å; Q485-I503 HydrophobicContact CB-CG2 3.84Å; Q485-I503 HydrophobicContact CG-CG2 4.09Å
486L94.8Very high89.1Confident0 Ų047.8 Ų47.80%026%0.264CS..Hα-helixtrans-70.9-37176.2-154.572.2000112.2L437 R441 L453 V456 A457 A482 A483 Q484 A489 S490 I503L437-L486 HydrophobicContact CD1-CD1 4.06Å; L437-L486 HydrophobicContact CD1-CD2 3.98Å; L437-L486 HydrophobicContact CG-CD1 4.44Å; R441-L486 HydrophobicContact CB-CD1 4.1Å; R441-L486 HydrophobicContact CG-CD1 4.15Å; L453-L486 HydrophobicContact CB-CG 4.21Å; L453-L486 HydrophobicContact CD2-CD1 3.91Å; L453-L486 HydrophobicContact CD2-CG 4.15Å; L453-L486 WeakPolarHBondContact O-CD2 3.38Å; V456-L486 HydrophobicContact CB-CD2 3.79Å; V456-L486 HydrophobicContact CG1-CD2 3.65Å; A457-L486 HydrophobicContact CB-CB 4.14Å; A457-L486 HydrophobicContact CB-CD2 4.27Å; A482-L486 VanDerWaalsContact O-CB 3.31Å; A482-L486 WeakPolarHBondContact O-CB 3.44Å; A482-L486 PolarHBondContact O-N 3.38Å; A483-L486 PolarHBondContact O-N 3.19Å; Q484-L486 VanDerWaalsContact C-N 3.28Å; Q484-L486 PolarHBondContact O-N 3.49Å; L486-A489 PolarHBondContact O-N 3.06Å; L486-S490 PolarHBondContact O-N 2.73Å; L486-I503 HydrophobicContact CD1-CD1 3.97Å
487K93.8Very high88.5Confident67 Ų6747.1 Ų47.129%0.29126%0.258SS..Hα-helixtrans-61.9-45.1170.7-75.6-177.2176.7176.70111.2A457 D458 E461 A483 Q484 A489 S490A457-K487 HydrophobicContact CB-CD 4.32Å; A457-K487 HydrophobicContact CB-CG 3.58Å; D458-K487 WeakPolarHBondContact OD1-CE 3.49Å; D458-K487 IonicContact OD1-NZ 3.67Å; D458-K487 PolarHBondContact OD1-NZ 3.47Å; E461-K487 WeakPolarHBondContact OE1-CE 3.4Å; E461-K487 IonicContact OE1-NZ 3.21Å; E461-K487 PolarHBondContact OE1-NZ 3.01Å; E461-K487 IonicContact OE2-NZ 2.61Å; E461-K487 PolarHBondContact OE2-NZ 2.93Å; A483-K487 PolarHBondContact O-N 2.98Å; Q484-K487 PolarHBondContact O-N 2.82Å; K487-A489 VanDerWaalsContact C-N 3.34Å; K487-A489 PolarHBondContact O-N 3.45Å; K487-S490 WeakPolarHBondContact O-CB 3.41Å; K487-S490 PolarHBondContact O-N 2.82Å; K487-S490 VanDerWaalsContact O-N 3.11Å; K487-S490 PolarHBondContact O-OG 3.18Å
488L92.6Very high88.3Confident76 Ų7644.3 Ų44.340%0.39826%0.255SS..Hα-helixtrans-58.9-44.8175.4-68.7174.9000111.6Q484 Q485 S490 T491 S494Q484-L488 WeakPolarHBondContact O-CG 3.08Å; Q484-L488 PolarHBondContact O-N 3.2Å; Q485-L488 PolarHBondContact O-N 3.45Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 2.88Å; L488-T491 PolarHBondContact O-N 3.16Å; L488-T491 PolarHBondContact O-OG1 2.9Å; L488-S494 VanDerWaalsContact O-CB 3.3Å; L488-S494 WeakPolarHBondContact O-CB 3.3Å
489A91.8Very high88.1Confident0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-60.6-33.8175.300000113.2R441 L453 Q485 L486 K487 T491 G492 Y496R441-A489 HydrophobicContact CG-CB 4.24Å; L453-A489 HydrophobicContact CD1-CB 4.27Å; Q485-A489 PolarHBondContact O-N 3.4Å; L486-A489 PolarHBondContact O-N 3.06Å; K487-A489 VanDerWaalsContact C-N 3.34Å; K487-A489 PolarHBondContact O-N 3.45Å; A489-T491 PolarHBondContact O-N 2.99Å; A489-G492 PolarHBondContact O-N 3.37Å; A489-Y496 VanDerWaalsContact CB-O 3.25Å; A489-Y496 WeakPolarHBondContact CB-O 3.3Å
490S91.4Very high87.9Confident9 Ų956.4 Ų56.46%0.06331%0.311CS..Hα-helixtrans-69-17.2179.681.60000114.7K454 L486 K487 L488 G492K454-S490 WeakPolarHBondContact CG-OG 3.35Å; L486-S490 PolarHBondContact O-N 2.73Å; K487-S490 WeakPolarHBondContact O-CB 3.41Å; K487-S490 PolarHBondContact O-N 2.82Å; K487-S490 VanDerWaalsContact O-N 3.11Å; K487-S490 PolarHBondContact O-OG 3.18Å; L488-S490 VanDerWaalsContact C-N 3.27Å; L488-S490 PolarHBondContact O-N 2.88Å; S490-G492 VanDerWaalsContact C-N 3.33Å
491T87.9Confident87.8Confident83 Ų8358 Ų5851%0.50932%0.315SS..THydrogen-bonded Turntrans-77.1-17.9-179.265.60000113.5L488 A489 T493L488-T491 PolarHBondContact O-N 3.16Å; L488-T491 PolarHBondContact O-OG1 2.9Å; A489-T491 PolarHBondContact O-N 2.99Å; T491-T493 PolarHBondContact O-N 3.07Å; T491-T493 VanDerWaalsContact O-N 3.16Å
492G75.7Confident87.7Confident46 Ų4660.3 Ų60.347%0.47433%0.328SS..SBendtrans74.9-12.3-177.200000115.6A489 S490A489-G492 PolarHBondContact O-N 3.37Å; S490-G492 VanDerWaalsContact C-N 3.33Å
493T74.4Confident87.6Confident134 Ų13460.4 Ų60.482%0.82233%0.328SS*.SBendtrans-105.6-14.6-176.1-42.40000113.5T491T491-T493 PolarHBondContact O-N 3.07Å; T491-T493 VanDerWaalsContact O-N 3.16Å
494S72Confident87.5Confident34 Ų3464.4 Ų64.424%0.23835%0.353CS..SBendtrans-79.3156.1-179-177.70000112.7L488 Y496 A497L488-S494 VanDerWaalsContact O-CB 3.3Å; L488-S494 WeakPolarHBondContact O-CB 3.3Å; S494-Y496 PolarHBondContact O-N 3.19Å; S494-Y496 VanDerWaalsContact O-N 3.11Å; S494-A497 WeakPolarHBondContact O-CB 3.43Å; S494-A497 PolarHBondContact O-N 3.1Å
495E69.1Low87.5Confident153 Ų15361.7 Ų61.772%0.71535%0.345SS*.G310 helixtrans-53.6-30.1171.2-66.9-171160.400112.8A497 A498 Q501E495-A497 VanDerWaalsContact C-N 3.26Å; E495-A497 PolarHBondContact O-N 3.34Å; E495-A498 VanDerWaalsContact O-CB 3.28Å; E495-A498 WeakPolarHBondContact O-CB 3.36Å; E495-A498 PolarHBondContact O-N 3.21Å; E495-Q501 WeakPolarHBondContact O-CB 3.32Å
496Y76.4Confident87.4Confident43 Ų4363.8 Ų63.817%0.16936%0.356CS..G310 helixtrans-79.7-2176.4-67-76.3000114.4R441 A489 S494 A498 Q501 I503R441-Y496 PolarHBondContact NH1-O 2.88Å; A489-Y496 VanDerWaalsContact CB-O 3.25Å; A489-Y496 WeakPolarHBondContact CB-O 3.3Å; S494-Y496 PolarHBondContact O-N 3.19Å; S494-Y496 VanDerWaalsContact O-N 3.11Å; Y496-A498 VanDerWaalsContact C-N 3.28Å; Y496-Q501 HydrophobicContact CD1-CG 3.91Å; Y496-Q501 HydrophobicContact CE1-CG 4.02Å; Y496-I503 HydrophobicContact CD1-CG1 4.26Å
497A80.5Confident87.1Confident22 Ų2273 Ų7318%0.18240%0.399CS..G310 helixtrans-79.5-12.8165.300000112.1L445 S494 E495L445-A497 WeakPolarHBondContact CD1-O 3.26Å; S494-A497 WeakPolarHBondContact O-CB 3.43Å; S494-A497 PolarHBondContact O-N 3.1Å; E495-A497 VanDerWaalsContact C-N 3.26Å; E495-A497 PolarHBondContact O-N 3.34Å
498A89.4Confident86.8Confident51 Ų5171.6 Ų71.642%0.42140%0.396SS..SBendtrans-69.3136.8172.700000111.1R441 E495 Y496 D500 Q501R441-A498 PolarHBondContact NH1-O 3.06Å; R441-A498 PolarHBondContact NH2-O 2.97Å; E495-A498 VanDerWaalsContact O-CB 3.28Å; E495-A498 WeakPolarHBondContact O-CB 3.36Å; E495-A498 PolarHBondContact O-N 3.21Å; Y496-A498 VanDerWaalsContact C-N 3.28Å; A498-D500 VanDerWaalsContact C-N 3.29Å; A498-D500 PolarHBondContact O-N 3.17Å; A498-Q501 HydrophobicContact CB-CB 4.13Å; A498-Q501 PolarHBondContact O-N 3.11Å
499Y90.2Very high86.3Confident127 Ų12774.5 Ų74.550%0.49841%0.412SS..SBendtrans-61.6-37.4-177.1-171.8-98.4000112.5R441 K442 A446R441-Y499 PolarHBondContact NH2-O 2.86Å; K442-Y499 HydrophobicContact CB-CD2 4.16Å; K442-Y499 HydrophobicContact CB-CE2 3.59Å; K442-Y499 HydrophobicContact CD-CE1 4.13Å; K442-Y499 HydrophobicContact CD-CE2 4.29Å; K442-Y499 WeakPolarHBondContact CE-O 3.48Å; K442-Y499 HydrophobicContact CG-CD2 4.25Å; K442-Y499 HydrophobicContact CG-CE2 4.04Å; K442-Y499 PolarHBondContact NZ-O 3.42Å; K442-Y499 WeakPolarHBondContact O-CE2 3.28Å; A446-Y499 HydrophobicContact CB-CE2 4.31Å
500D91.9Very high85.8Confident129 Ų12978.4 Ų78.469%0.6943%0.429SS*.SBendtrans-80.4-23.3-176.1-62.6-42.3000113.9A498 N502A498-D500 VanDerWaalsContact C-N 3.29Å; A498-D500 PolarHBondContact O-N 3.17Å; D500-N502 PolarHBondContact O-N 2.83Å
501Q92.3Very high84.9Confident88 Ų8883 Ų8341%0.41146%0.461SS..  trans-79.2103.3-176-16764.76.400112R441 E495 Y496 A498R441-Q501 PolarHBondContact NH1-O 3.16Å; R441-Q501 PolarHBondContact NH2-O 3.19Å; E495-Q501 WeakPolarHBondContact O-CB 3.32Å; Y496-Q501 HydrophobicContact CD1-CG 3.91Å; Y496-Q501 HydrophobicContact CE1-CG 4.02Å; A498-Q501 HydrophobicContact CB-CB 4.13Å; A498-Q501 PolarHBondContact O-N 3.11Å
502N94.6Very high83.2Confident71 Ų7182 Ų8238%0.3847%0.467SS..PPolyproline II helixtrans-81.2147.6179.1-67-45.2000112.4N438 K442 D500 T504N438-N502 WeakPolarHBondContact OD1-CA 3.43Å; K442-N502 WeakPolarHBondContact CE-OD1 3.37Å; K442-N502 PolarHBondContact NZ-OD1 2.89Å; D500-N502 PolarHBondContact O-N 2.83Å; N502-T504 PolarHBondContact O-N 3.3Å
503I94.9Very high81.8Confident2 Ų285 Ų851%0.0148%0.481CS..PPolyproline II helixtrans-74118.4166.3-53175000107.9Y434 L437 N438 Q485 L486 Y496Y434-I503 HydrophobicContact CD1-CB 4.43Å; Y434-I503 HydrophobicContact CD1-CG2 4.04Å; Y434-I503 WeakPolarHBondContact CD1-O 3.43Å; Y434-I503 HydrophobicContact CE1-CG2 3.74Å; L437-I503 HydrophobicContact CD2-CD1 4.06Å; L437-I503 HydrophobicContact CG-CD1 4.43Å; N438-I503 PolarHBondContact ND2-O 3.27Å; N438-I503 PolarHBondContact OD1-N 3.37Å; Q485-I503 HydrophobicContact CB-CD1 3.92Å; Q485-I503 HydrophobicContact CB-CG1 4.05Å; Q485-I503 HydrophobicContact CB-CG2 3.84Å; Q485-I503 HydrophobicContact CG-CG2 4.09Å; L486-I503 HydrophobicContact CD1-CD1 3.97Å; Y496-I503 HydrophobicContact CD1-CG1 4.26Å
504T94.7Very high80.4Confident84 Ų8484 Ų8452%0.51548%0.479SS..PPolyproline II helixtrans-98.2148.7176.2510000111.1H481 N502H481-T504 PolarHBondContact CD2-O 3.42Å; H481-T504 PolarHBondContact NE2-O 3.09Å; N502-T504 PolarHBondContact O-N 3.3Å
505P94.6Very high79.2Confident49 Ų4988.4 Ų88.432%0.31851%0.505SS..PPolyproline II helixtrans-63.1153.4173.627-33.9000111.8T430 Y434T430-P505 HydrophobicContact CG2-CB 3.8Å; T430-P505 HydrophobicContact CG2-CG 4.3Å; Y434-P505 HydrophobicContact CD2-CB 3.89Å; Y434-P505 HydrophobicContact CD2-CG 4.45Å; Y434-P505 HydrophobicContact CE2-CB 3.54Å
506L92.3Very high77.9Confident71 Ų7190.1 Ų90.137%0.37251%0.513SS..PPolyproline II helixtrans-69.9139.7168.9-69.5175.4000109.7F477 Q478 H481 T508F477-L506 HydrophobicContact CB-CD1 4.42Å; Q478-L506 PolarHBondContact NE2-O 3.08Å; H481-L506 HydrophobicContact CB-CD1 3.7Å; H481-L506 HydrophobicContact CB-CG 3.92Å; L506-T508 HydrophobicContact CB-CG2 4.37Å; L506-T508 PolarHBondContact O-N 3.42Å
507H88.3Confident76.1Confident194 Ų19499.8 Ų99.890%0.89855%0.549SS*.  trans-82.699.9168.9-71.1-68.1000108.9
508T87.8Confident73.9Confident38 Ų38110.4 Ų110.423%0.23360%0.601CS.*  trans-98.1146175.361.50000111.3D474 F477 L506 F510D474-T508 WeakPolarHBondContact OD1-CG2 3.2Å; D474-T508 PolarHBondContact OD1-OG1 2.84Å; D474-T508 VanDerWaalsContact OD1-OG1 3.07Å; F477-T508 HydrophobicContact CB-CG2 4.42Å; L506-T508 HydrophobicContact CB-CG2 4.37Å; L506-T508 PolarHBondContact O-N 3.42Å; T508-F510 VanDerWaalsContact C-N 3.27Å; T508-F510 VanDerWaalsContact CB-CD2 3.42Å; T508-F510 HydrophobicContact CG2-CD2 4.03Å; T508-F510 HydrophobicContact CG2-CE2 4.01Å; T508-F510 PolarHBondContact O-N 3.34Å
509D82.8Confident73.1Confident137 Ų137113.4 Ų113.473%0.73361%0.61SS**THydrogen-bonded Turntrans-86.215-179.657.8-15.7000114.1S511D509-S511 PolarHBondContact O-N 3.23Å
510F80.9Confident72.2Confident81 Ų81112.7 Ų112.736%0.35562%0.616SS.*THydrogen-bonded Turntrans-68.7-14.2179.6-64.5-63.7000114.4P473 D474 F477 T508 G512P473-F510 HydrophobicContact CB-CD1 4.38Å; P473-F510 HydrophobicContact CB-CE1 4.01Å; P473-F510 HydrophobicContact CB-CE2 4.5Å; P473-F510 HydrophobicContact CB-CZ 4.1Å; P473-F510 HydrophobicContact CG-CD1 3.89Å; P473-F510 HydrophobicContact CG-CE1 4.01Å; P473-F510 HydrophobicContact CG-CG 4.27Å; P473-F510 HydrophobicContact CG-CZ 4.49Å; D474-F510 HydrophobicContact CB-CD2 3.9Å; D474-F510 HydrophobicContact CB-CE2 4.5Å; F477-F510 AromaticContact CD2-CE2 3.76Å; F477-F510 HydrophobicContact CD2-CE2 3.76Å; F477-F510 HydrophobicContact CD2-CZ 4.09Å; F477-F510 AromaticContact CE2-CE2 3.82Å; F477-F510 HydrophobicContact CE2-CE2 3.82Å; F477-F510 AromaticContact CE2-CZ 3.65Å; F477-F510 HydrophobicContact CE2-CZ 3.65Å; F477-F510 HydrophobicContact CZ-CZ 4.39Å; T508-F510 VanDerWaalsContact C-N 3.27Å; T508-F510 VanDerWaalsContact CB-CD2 3.42Å; T508-F510 HydrophobicContact CG2-CD2 4.03Å; T508-F510 HydrophobicContact CG2-CE2 4.01Å; T508-F510 PolarHBondContact O-N 3.34Å; F510-G512 PolarHBondContact O-N 3.24Å
511S72.6Confident71.1Confident105 Ų105111.8 Ų111.873%0.73461%0.611SS**SBendtrans-82.995.3168.9600000109.3D509 S513D509-S511 PolarHBondContact O-N 3.23Å; S511-S513 PolarHBondContact O-N 2.92Å
512G51.8Low69.8Low62 Ų62113.2 Ų113.264%0.63962%0.623SS**  trans-13.6113.2-17500000117.8F510 S514F510-G512 PolarHBondContact O-N 3.24Å; G512-S514 PolarHBondContact O-N 3.41Å
513S46.8Very low68.3Low110 Ų110115.8 Ų115.877%0.76964%0.638SS**  trans-68.177.6160.459.90000110.2S511 T515S511-S513 PolarHBondContact O-N 2.92Å; S513-T515 VanDerWaalsContact C-N 3.3Å; S513-T515 PolarHBondContact O-N 3.4Å
514S45.4Very low66.5Low112 Ų112123.4 Ų123.478%0.78368%0.68SS**  trans-93.657.9168.745.70000111.2G512G512-S514 PolarHBondContact O-N 3.41Å
515T45Very low64.5Low128 Ų128126.2 Ų126.279%0.78569%0.692SS**SBendtrans-156.3130.6157.721.50000108.3S513S513-T515 VanDerWaalsContact C-N 3.3Å; S513-T515 PolarHBondContact O-N 3.4Å
516E42.6Very low62.2Low188 Ų188132.2 Ų132.288%0.87972%0.721SS**  trans85.868.8177.5-57.5-169.8167.300117.8
517R39.3Very low59.7Low246 Ų246137.3 Ų137.393%0.92875%0.75SS**  trans-155.384.2134.5-78.1-160.2-175.6167.92.5110.4
518I33Very low57.1Low246 Ų246132.1 Ų132.1100%1.26274%0.736SS**  trans-151.70131.2-67.2-161.2000106.6

Retrieved 518 of 518 residues in 703.9 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).