X2JDV7_DROME Loading...

Lipase domain-containing protein

AlphaFold DB , UniProt , Accession X2JDV7, Species DROME (Drosophila melanogaster, Fruit fly), Gene 141233_at, Length 436 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.5Low90.9Very high135 Ų13557.7 Ų57.767%0.66533%0.33SS*.  00.30-63.7-173.7-17100114.6M3 M76 L77 E80M1-M3 HydrophobicContact CB-CG 4.37Å; M1-M3 PolarHBondContact O-N 2.73Å; M1-M76 HydrophobicContact CE-SD 4.49Å; M1-L77 HydrophobicContact SD-CD2 3.75Å; M1-E80 HydrophobicContact CE-CB 3.72Å; M1-E80 HydrophobicContact CE-CG 3.63Å; M1-E80 HydrophobicContact SD-CB 4.43Å
2G81.4Confident91.5Very high93 Ų9352.9 Ų52.996%0.95930%0.302SS*.  trans680.518000000115.1
3M91Very high92.1Very high48 Ų4848.8 Ų48.824%0.23628%0.279CS..  trans-88140.3177-62.7178.5167.400110.4M1 S42 V44 L77 L81M1-M3 HydrophobicContact CB-CG 4.37Å; M1-M3 PolarHBondContact O-N 2.73Å; M3-S42 WeakPolarHBondContact CG-OG 3.13Å; M3-V44 HydrophobicContact CE-CG2 3.79Å; M3-L77 HydrophobicContact SD-CD2 3.89Å; M3-L81 HydrophobicContact CB-CD1 4.08Å; M3-L81 HydrophobicContact CB-CD2 4.09Å; M3-L81 HydrophobicContact SD-CD1 4.33Å
4N91.4Very high92.5Very high51 Ų5145.4 Ų45.427%0.27326%0.259SS..  trans-88.4117.5176.7-175.7-13.7000109.9K6 G7 G39N4-K6 PolarHBondContact O-N 3.07Å; N4-K6 VanDerWaalsContact O-N 3.12Å; N4-K6 PolarHBondContact OD1-N 2.82Å; N4-G7 PolarHBondContact O-N 2.96Å; N4-G39 WeakPolarHBondContact CB-O 3.39Å; N4-G39 PolarHBondContact ND2-O 3.43Å
5P92.1Very high92.8Very high57 Ų5742.3 Ų42.337%0.3724%0.242SC..THydrogen-bonded Turntrans-64.3-18.2-179.325.9-35000113.7L81 L83 N88P5-L81 HydrophobicContact CB-CB 4.24Å; P5-L83 HydrophobicContact CB-CD2 3.8Å; P5-L83 WeakPolarHBondContact O-CD2 3.37Å; P5-N88 PolarHBondContact O-ND2 3.12Å
6K91.9Very high92.9Very high164 Ų16443.1 Ų43.171%0.71324%0.24SC*.THydrogen-bonded Turntrans-95.34.1175.5-58-174.3179-176.20113.3N4 R40N4-K6 PolarHBondContact O-N 3.07Å; N4-K6 VanDerWaalsContact O-N 3.12Å; N4-K6 PolarHBondContact OD1-N 2.82Å; K6-R40 PolarHBondContact O-NH1 3.33Å
7G95.3Very high92.9Very high5 Ų544.9 Ų44.95%0.05225%0.249CC..SBendtrans-94.8168.8175.200000111.8N4 R40 N88N4-G7 PolarHBondContact O-N 2.96Å; G7-R40 CarbonylContact C-O 2.94Å; G7-R40 WeakPolarHBondContact CA-O 3.26Å; G7-N88 PolarHBondContact O-ND2 3.44Å
8K97.3Very high92.8Very high79 Ų7943.2 Ų43.234%0.34324%0.238SC..EExtended strand (participates in β ladder)trans-73141.1169.5-69.4-177.6-177.6163.80110.5F10 E36 R40 A41 S42 N88 Y256K8-F10 HydrophobicContact CB-CD2 4.35Å; K8-F10 HydrophobicContact CB-CE1 4.42Å; K8-F10 HydrophobicContact CB-CE2 3.6Å; K8-F10 HydrophobicContact CB-CZ 3.64Å; K8-F10 HydrophobicContact CD-CE1 4.27Å; K8-F10 HydrophobicContact CD-CE2 4.29Å; K8-F10 HydrophobicContact CD-CZ 3.56Å; K8-F10 HydrophobicContact CG-CZ 4.25Å; K8-E36 HydrophobicContact CD-CG 4.42Å; K8-E36 IonicContact NZ-OE1 3.59Å; K8-E36 PolarHBondContact NZ-OE1 3.15Å; K8-E36 IonicContact NZ-OE2 2.78Å; K8-R40 PolarHBondContact N-O 3.43Å; K8-A41 CarbonylContact O-C 3.58Å; K8-A41 WeakPolarHBondContact O-CA 3.27Å; K8-S42 PolarHBondContact O-N 2.97Å; K8-N88 WeakPolarHBondContact CA-O 3.36Å; K8-Y256 PolarHBondContact NZ-OH 3.28Å
9I98.3Very high92.9Very high2 Ų243.1 Ų43.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-115.4110.8175.2-57.2173.9000107.5L11 S42 L77 L81 L83 N88 V89 H90I9-L11 HydrophobicContact CG2-CD1 4.16Å; I9-S42 WeakPolarHBondContact CA-O 3.48Å; I9-L77 HydrophobicContact CG2-CD1 4.31Å; I9-L81 HydrophobicContact CD1-CD1 3.76Å; I9-L83 HydrophobicContact CD1-CD1 3.93Å; I9-N88 PolarHBondContact N-O 3.45Å; I9-V89 HydrophobicContact CB-CG2 4.39Å; I9-V89 WeakPolarHBondContact O-CA 3.45Å; I9-H90 PolarHBondContact O-N 2.85Å
10F98.7Very high92.9Very high1 Ų141.1 Ų41.10%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-97.7133.4178-57.6-80.5000110.2K8 L32 E36 A41 S42 V43 V44 H90 I92 Y256K8-F10 HydrophobicContact CB-CD2 4.35Å; K8-F10 HydrophobicContact CB-CE1 4.42Å; K8-F10 HydrophobicContact CB-CE2 3.6Å; K8-F10 HydrophobicContact CB-CZ 3.64Å; K8-F10 HydrophobicContact CD-CE1 4.27Å; K8-F10 HydrophobicContact CD-CE2 4.29Å; K8-F10 HydrophobicContact CD-CZ 3.56Å; K8-F10 HydrophobicContact CG-CZ 4.25Å; F10-L32 HydrophobicContact CB-CD1 3.99Å; F10-L32 HydrophobicContact CD1-CD1 4.05Å; F10-L32 HydrophobicContact CD1-CD2 4.11Å; F10-L32 HydrophobicContact CD2-CB 4.22Å; F10-L32 HydrophobicContact CD2-CD1 4.19Å; F10-L32 HydrophobicContact CE1-CD2 3.88Å; F10-L32 HydrophobicContact CE2-CB 4.23Å; F10-L32 HydrophobicContact CE2-CD2 4.31Å; F10-L32 HydrophobicContact CG-CD1 3.81Å; F10-L32 HydrophobicContact CG-CD2 4.44Å; F10-L32 HydrophobicContact CZ-CD2 3.97Å; F10-E36 HydrophobicContact CE2-CG 4.26Å; F10-E36 HydrophobicContact CZ-CG 4.39Å; F10-A41 HydrophobicContact CD2-CB 4.49Å; F10-A41 HydrophobicContact CE2-CB 4.04Å; F10-S42 PolarHBondContact N-O 3.41Å; F10-V43 HydrophobicContact CB-CG1 4.36Å; F10-V43 HydrophobicContact CB-CG2 4.22Å; F10-V43 HydrophobicContact CD2-CG2 4.13Å; F10-V43 CarbonylContact O-C 3.55Å; F10-V43 WeakPolarHBondContact O-CA 3.48Å; F10-V44 PolarHBondContact O-N 3.02Å; F10-H90 CarbonylContact C-O 3.39Å; F10-H90 VanDerWaalsContact CA-O 3.28Å; F10-H90 WeakPolarHBondContact CA-O 3.45Å; F10-H90 HydrophobicContact CD1-CB 3.78Å; F10-H90 AromaticContact CD1-ND1 3.76Å; F10-H90 HydrophobicContact CE1-CB 4.06Å; F10-H90 AromaticContact CE1-ND1 3.62Å; F10-I92 HydrophobicContact CD1-CD1 4.28Å; F10-Y256 AromaticContact CE1-CE2 3.88Å; F10-Y256 HydrophobicContact CE1-CE2 3.88Å; F10-Y256 AromaticContact CZ-CE2 3.94Å; F10-Y256 HydrophobicContact CZ-CE2 3.94Å; F10-Y256 WeakPolarHBondContact CZ-OH 3.32Å
11L98.8Very high92.9Very high0 Ų045.7 Ų45.70%025%0.25CS..EExtended strand (participates in β ladder)trans-110.7118.2169.1-71.787.3000108.1I9 V44 I46 T70 V74 V89 H90 I91 I92I9-L11 HydrophobicContact CG2-CD1 4.16Å; L11-V44 CarbonylContact C-O 3.56Å; L11-V44 WeakPolarHBondContact CA-O 3.34Å; L11-V44 HydrophobicContact CG-CB 4.34Å; L11-I46 HydrophobicContact CD2-CD1 4.11Å; L11-I46 HydrophobicContact CD2-CG1 4.34Å; L11-T70 HydrophobicContact CD2-CG2 3.85Å; L11-V74 HydrophobicContact CD1-CG2 4.03Å; L11-V74 HydrophobicContact CD2-CG2 3.36Å; L11-V74 HydrophobicContact CG-CG2 4.36Å; L11-V89 HydrophobicContact CD1-CG1 3.69Å; L11-H90 PolarHBondContact N-O 2.95Å; L11-I91 HydrophobicContact CB-CB 4.4Å; L11-I91 HydrophobicContact CB-CG1 4.34Å; L11-I91 HydrophobicContact CB-CG2 4.03Å; L11-I91 HydrophobicContact CD1-CG1 4.37Å; L11-I91 CarbonylContact O-C 3.51Å; L11-I92 PolarHBondContact O-N 2.79Å
12L98.8Very high94.2Very high0 Ų040.3 Ų40.30%022%0.224CC..EExtended strand (participates in β ladder)trans-99.6129.2175.4-56.7-171.1000109.4M25 M28 A29 L32 V43 V44 L45 I46 I92L12-M25 VanDerWaalsContact C-CE 3.48Å; L12-M25 HydrophobicContact CB-CE 3.74Å; L12-M25 VanDerWaalsContact CD1-O 3.23Å; L12-M25 WeakPolarHBondContact CD1-O 3.44Å; L12-M25 WeakPolarHBondContact O-CE 3.48Å; L12-M28 HydrophobicContact CD1-CB 4.09Å; L12-M28 HydrophobicContact CD1-CG 4.28Å; L12-M28 HydrophobicContact CD1-SD 4.29Å; L12-M28 HydrophobicContact CD2-CG 4.49Å; L12-M28 HydrophobicContact CD2-SD 3.75Å; L12-A29 HydrophobicContact CD1-CB 4.09Å; L12-L32 HydrophobicContact CD2-CD1 4.06Å; L12-V43 HydrophobicContact CD1-CG1 3.88Å; L12-V43 HydrophobicContact CG-CG1 3.84Å; L12-V44 PolarHBondContact N-O 2.97Å; L12-L45 HydrophobicContact CB-CD2 3.83Å; L12-L45 HydrophobicContact CD1-CD2 3.75Å; L12-L45 HydrophobicContact CG-CD2 4.05Å; L12-I46 PolarHBondContact O-N 3.3Å; L12-I92 HydrophobicContact CD2-CB 3.8Å; L12-I92 HydrophobicContact CD2-CD1 3.72Å; L12-I92 HydrophobicContact CD2-CG1 4.26Å; L12-I92 HydrophobicContact CD2-CG2 4.38Å
13V98.8Very high94.8Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-127120.6-175.2-169.60000110.3I46 I91 I92 G93 H94 L100V13-I46 HydrophobicContact CG1-CB 4.49Å; V13-I46 HydrophobicContact CG2-CB 4.08Å; V13-I46 HydrophobicContact CG2-CG1 4.02Å; V13-I91 HydrophobicContact CG2-CG2 3.97Å; V13-I92 PolarHBondContact N-O 2.86Å; V13-G93 WeakPolarHBondContact O-CA 3.46Å; V13-H94 PolarHBondContact O-N 2.92Å; V13-L100 HydrophobicContact CG1-CB 4.19Å; V13-L100 HydrophobicContact CG1-CD1 3.65Å; V13-L100 HydrophobicContact CG1-CD2 3.79Å; V13-L100 HydrophobicContact CG1-CG 4.09Å; V13-L100 HydrophobicContact CG2-CD2 4.45Å
14H98.3Very high95Very high0 Ų038.2 Ų38.20%020%0.195CC..  trans-82.7171.2-179.571.176000114.3E18 S19 I22 W24 M25 I46 D47 W48 G49 G97H14-E18 HydrophobicContact CB-CB 3.84Å; H14-E18 WeakPolarHBondContact CB-OE2 3.37Å; H14-E18 VanDerWaalsContact CE1-C 3.46Å; H14-E18 PolarHBondContact CE1-O 3.39Å; H14-E18 PolarHBondContact ND1-O 3Å; H14-S19 WeakPolarHBondContact NE2-CA 3.43Å; H14-I22 HydrophobicContact CB-CG2 4.46Å; H14-W24 HydrophobicContact CB-CZ2 4.21Å; H14-M25 HydrophobicContact CB-CE 4.42Å; H14-M25 HydrophobicContact CB-SD 3.71Å; H14-I46 PolarHBondContact CD2-O 3.09Å; H14-I46 VanDerWaalsContact CD2-O 3.3Å; H14-D47 IonicContact NE2-OD1 3.98Å; H14-D47 PolarHBondContact NE2-OD1 3.42Å; H14-W48 AromaticContact CD2-CD1 3.75Å; H14-W48 AromaticContact CD2-NE1 3.95Å; H14-W48 AromaticContact CE1-CD1 3.25Å; H14-W48 AromaticContact CE1-CD2 3.92Å; H14-W48 AromaticContact CE1-CE2 3.65Å; H14-W48 AromaticContact CE1-CG 3.67Å; H14-W48 AromaticContact CE1-NE1 3.23Å; H14-W48 PolarHBondContact CE1-NE1 3.45Å; H14-W48 AromaticContact CG-NE1 3.77Å; H14-W48 AromaticContact ND1-CD1 3.76Å; H14-W48 AromaticContact ND1-CE2 3.81Å; H14-W48 AromaticContact ND1-NE1 3.31Å; H14-W48 PolarHBondContact ND1-NE1 3.01Å; H14-W48 AromaticContact NE2-CD1 3.23Å; H14-W48 AromaticContact NE2-CG 3.78Å; H14-W48 PolarHBondContact NE2-N 3.06Å; H14-W48 AromaticContact NE2-NE1 3.64Å; H14-W48 WeakPolarHBondContact O-CZ2 3.33Å; H14-W48 PolarHBondContact O-NE1 3.42Å; H14-G49 PolarHBondContact CE1-N 3.5Å; H14-G49 PolarHBondContact NE2-N 2.94Å; H14-G97 VanDerWaalsContact O-CA 3.31Å; H14-G97 WeakPolarHBondContact O-CA 3.46Å; H14-G97 PolarHBondContact O-N 2.89Å
15G96.5Very high95.3Very high0 Ų035.8 Ų35.80%018%0.182CC..  trans-98.2-164.6-176.900000115.7E18 W48 H94G15-E18 PolarHBondContact N-OE2 3.47Å; G15-E18 PolarHBondContact O-N 3.02Å; G15-W48 WeakPolarHBondContact O-CZ2 3.49Å; G15-H94 WeakPolarHBondContact CA-O 3.47Å
16Y95Very high95.6Very high54 Ų5438.2 Ų38.221%0.21218%0.184CC..THydrogen-bonded Turntrans-63.2139.1174.9-176.6-121.8000111.6E18 A52 P54 Y56 A59 L96Y16-E18 PolarHBondContact O-N 2.93Å; Y16-A52 WeakPolarHBondContact CD2-O 3.41Å; Y16-A52 VanDerWaalsContact CE2-O 3.31Å; Y16-A52 WeakPolarHBondContact CE2-O 3.47Å; Y16-P54 WeakPolarHBondContact OH-CA 3.26Å; Y16-P54 WeakPolarHBondContact OH-CB 3.04Å; Y16-P54 WeakPolarHBondContact OH-CG 3.36Å; Y16-Y56 AromaticContact CD1-CD2 3.7Å; Y16-Y56 HydrophobicContact CD1-CD2 3.7Å; Y16-Y56 HydrophobicContact CD1-CE2 4.19Å; Y16-Y56 AromaticContact CD2-CD2 3.9Å; Y16-Y56 HydrophobicContact CD2-CD2 3.9Å; Y16-Y56 AromaticContact CE1-CD2 3.76Å; Y16-Y56 HydrophobicContact CE1-CD2 3.76Å; Y16-Y56 AromaticContact CE2-CD2 3.96Å; Y16-Y56 HydrophobicContact CE2-CD2 3.96Å; Y16-Y56 AromaticContact CG-CD2 3.8Å; Y16-Y56 HydrophobicContact CG-CD2 3.8Å; Y16-Y56 HydrophobicContact CG-CE2 4.14Å; Y16-Y56 AromaticContact CZ-CD2 3.89Å; Y16-Y56 PolarHBondContact OH-N 2.97Å; Y16-A59 HydrophobicContact CD2-CB 3.57Å; Y16-A59 HydrophobicContact CE2-CB 3.72Å; Y16-L96 HydrophobicContact CD2-CD1 4.13Å; Y16-L96 HydrophobicContact CG-CD1 4.27Å
17L91.8Very high95.8Very high74 Ų7434.3 Ų34.339%0.38717%0.171SC..THydrogen-bonded Turntrans639-175.4-49.4177.8000115.5A52 P54 F197L17-A52 PolarHBondContact N-O 3.22Å; L17-P54 VanDerWaalsContact CD2-CD 3.49Å; L17-P54 HydrophobicContact CD2-CG 3.71Å; L17-F197 HydrophobicContact CB-CZ 4.43Å; L17-F197 WeakPolarHBondContact O-CZ 3.36Å
18E92Very high96Very high14 Ų1434.1 Ų34.17%0.06517%0.168CC..  trans-104.5172.1178.7-54.8-172.4154.200111.2H14 G15 Y16 I22 W24 G49 H94 Q201H14-E18 HydrophobicContact CB-CB 3.84Å; H14-E18 WeakPolarHBondContact CB-OE2 3.37Å; H14-E18 VanDerWaalsContact CE1-C 3.46Å; H14-E18 PolarHBondContact CE1-O 3.39Å; H14-E18 PolarHBondContact ND1-O 3Å; G15-E18 PolarHBondContact N-OE2 3.47Å; G15-E18 PolarHBondContact O-N 3.02Å; Y16-E18 PolarHBondContact O-N 2.93Å; E18-I22 HydrophobicContact CB-CD1 3.96Å; E18-I22 HydrophobicContact CG-CD1 3.57Å; E18-I22 VanDerWaalsContact OE1-CD1 3.25Å; E18-I22 WeakPolarHBondContact OE1-CD1 3.48Å; E18-W24 PolarHBondContact OE2-NE1 3.24Å; E18-G49 VanDerWaalsContact O-CA 3.3Å; E18-G49 WeakPolarHBondContact O-CA 3.46Å; E18-H94 IonicContact OE2-ND1 3.92Å; E18-Q201 PolarHBondContact OE1-NE2 2.77Å
19S93.9Very high96.1Very high42 Ų4230.7 Ų30.729%0.29416%0.155SC..  trans-143.5171.517168.90000109.8H14 E21 I22H14-S19 WeakPolarHBondContact NE2-CA 3.43Å; S19-E21 PolarHBondContact O-N 2.99Å; S19-E21 PolarHBondContact OG-N 2.97Å; S19-I22 WeakPolarHBondContact O-CB 3.26Å; S19-I22 WeakPolarHBondContact O-CG2 3.15Å; S19-I22 PolarHBondContact O-N 3.12Å
20G92.8Very high96Very high3 Ų336.6 Ų36.63%0.03118%0.181CC..THydrogen-bonded Turntrans-58.6-14175.100000115.3I22 W26 D47G20-I22 VanDerWaalsContact C-N 3.33Å; G20-W26 PolarHBondContact O-NE1 2.93Å; G20-D47 VanDerWaalsContact N-CG 3.27Å; G20-D47 PolarHBondContact N-OD1 3.3Å
21E92.4Very high96Very high137 Ų13737.9 Ų37.964%0.6419%0.191SC*.THydrogen-bonded Turntrans-87.7-0.5177.6-63-59.6144.200113.1S19S19-E21 PolarHBondContact O-N 2.99Å; S19-E21 PolarHBondContact OG-N 2.97Å
22I91.3Very high96Very high23 Ų2337.9 Ų37.912%0.11819%0.191CC..  trans-66.2132.7-179.6-163.9168000110.9H14 E18 S19 G20 W24 M25H14-I22 HydrophobicContact CB-CG2 4.46Å; E18-I22 HydrophobicContact CB-CD1 3.96Å; E18-I22 HydrophobicContact CG-CD1 3.57Å; E18-I22 VanDerWaalsContact OE1-CD1 3.25Å; E18-I22 WeakPolarHBondContact OE1-CD1 3.48Å; S19-I22 WeakPolarHBondContact O-CB 3.26Å; S19-I22 WeakPolarHBondContact O-CG2 3.15Å; S19-I22 PolarHBondContact O-N 3.12Å; G20-I22 VanDerWaalsContact C-N 3.33Å; I22-W24 VanDerWaalsContact C-N 3.27Å; I22-W24 VanDerWaalsContact CG2-CD1 3.41Å; I22-W24 HydrophobicContact CG2-CD2 4.48Å; I22-W24 HydrophobicContact CG2-CG 4.18Å; I22-W24 PolarHBondContact O-N 3.17Å; I22-W24 VanDerWaalsContact O-N 3.09Å; I22-M25 HydrophobicContact CG2-CB 4.29Å; I22-M25 HydrophobicContact CG2-CG 3.64Å; I22-M25 HydrophobicContact CG2-SD 3.79Å; I22-M25 PolarHBondContact O-N 3.46Å
23P94.3Very high95.9Very high79 Ų7942 Ų4251%0.51321%0.213SC..Hα-helixtrans-57.1-34.1-168.6-30.936.4000115.5M25 W26 D27P23-M25 VanDerWaalsContact C-N 3.29Å; P23-M25 PolarHBondContact O-N 2.83Å; P23-W26 PolarHBondContact O-N 3.45Å; P23-D27 PolarHBondContact O-N 3.3Å
24W95Very high95.8Very high17 Ų1746.3 Ų46.36%0.06425%0.248CC..Hα-helixtrans-63.3-35.5-175.775.7-106.7000112.4H14 E18 I22 W26 D27 M28 H94 Q212H14-W24 HydrophobicContact CB-CZ2 4.21Å; E18-W24 PolarHBondContact OE2-NE1 3.24Å; I22-W24 VanDerWaalsContact C-N 3.27Å; I22-W24 VanDerWaalsContact CG2-CD1 3.41Å; I22-W24 HydrophobicContact CG2-CD2 4.48Å; I22-W24 HydrophobicContact CG2-CG 4.18Å; I22-W24 PolarHBondContact O-N 3.17Å; I22-W24 VanDerWaalsContact O-N 3.09Å; W24-W26 VanDerWaalsContact C-N 3.32Å; W24-W26 PolarHBondContact O-N 3.37Å; W24-D27 PolarHBondContact O-N 3.47Å; W24-M28 HydrophobicContact CE3-CE 3.86Å; W24-M28 HydrophobicContact CZ3-CE 3.71Å; W24-M28 HydrophobicContact CZ3-SD 4.05Å; W24-M28 VanDerWaalsContact O-CB 3.31Å; W24-M28 WeakPolarHBondContact O-CB 3Å; W24-M28 PolarHBondContact O-N 3.46Å; W24-H94 HydrophobicContact CH2-CB 4.08Å; W24-H94 HydrophobicContact CZ2-CB 3.84Å; W24-Q212 HydrophobicContact CD2-CB 4.4Å; W24-Q212 VanDerWaalsContact CE2-OE1 3.23Å; W24-Q212 HydrophobicContact CE3-CB 4.24Å; W24-Q212 VanDerWaalsContact NE1-OE1 3.09Å
25M97.8Very high95.8Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-64.2-42.4179.4-71.7-177.287.900110.4L12 H14 I22 P23 A29 L45L12-M25 VanDerWaalsContact C-CE 3.48Å; L12-M25 HydrophobicContact CB-CE 3.74Å; L12-M25 VanDerWaalsContact CD1-O 3.23Å; L12-M25 WeakPolarHBondContact CD1-O 3.44Å; L12-M25 WeakPolarHBondContact O-CE 3.48Å; H14-M25 HydrophobicContact CB-CE 4.42Å; H14-M25 HydrophobicContact CB-SD 3.71Å; I22-M25 HydrophobicContact CG2-CB 4.29Å; I22-M25 HydrophobicContact CG2-CG 3.64Å; I22-M25 HydrophobicContact CG2-SD 3.79Å; I22-M25 PolarHBondContact O-N 3.46Å; P23-M25 VanDerWaalsContact C-N 3.29Å; P23-M25 PolarHBondContact O-N 2.83Å; M25-A29 VanDerWaalsContact O-CB 3.23Å; M25-A29 WeakPolarHBondContact O-CB 3.44Å; M25-A29 PolarHBondContact O-N 3Å; M25-L45 HydrophobicContact CB-CD2 4.24Å; M25-L45 HydrophobicContact CE-CB 3.97Å; M25-L45 HydrophobicContact CE-CD2 4.11Å
26W98Very high95.7Very high108 Ų10851.2 Ų51.241%0.40927%0.271SS..Hα-helixtrans-70.2-39.8177.8-70.793.2000112.6G20 P23 W24 A29 K30 L45G20-W26 PolarHBondContact O-NE1 2.93Å; P23-W26 PolarHBondContact O-N 3.45Å; W24-W26 VanDerWaalsContact C-N 3.32Å; W24-W26 PolarHBondContact O-N 3.37Å; W26-A29 PolarHBondContact O-N 3.32Å; W26-K30 WeakPolarHBondContact O-CD 3.35Å; W26-K30 VanDerWaalsContact O-CG 3.24Å; W26-K30 WeakPolarHBondContact O-CG 3.48Å; W26-K30 PolarHBondContact O-N 2.9Å; W26-L45 HydrophobicContact CD2-CD1 3.96Å; W26-L45 HydrophobicContact CE3-CD1 4.36Å; W26-L45 HydrophobicContact CG-CD1 4.48Å; W26-L45 HydrophobicContact CH2-CD1 4.2Å; W26-L45 HydrophobicContact CZ2-CD1 3.75Å; W26-L45 HydrophobicContact CZ3-CD1 4.48Å
27D97.9Very high95.7Very high83 Ų8352.7 Ų52.744%0.44429%0.287SS..Hα-helixtrans-64.5-43176.3-72.9-14.7000111.1P23 W24 K30 A31P23-D27 PolarHBondContact O-N 3.3Å; W24-D27 PolarHBondContact O-N 3.47Å; D27-K30 PolarHBondContact O-N 3.36Å; D27-A31 WeakPolarHBondContact O-CB 3.29Å; D27-A31 PolarHBondContact O-N 3.1Å
28M98.6Very high95.6Very high0 Ų058.7 Ų58.70%031%0.313CS..Hα-helixtrans-66.9-43.4175.3-170.2-177-66.400111.8L12 W24 K30 A31 L32 I92 L122 Q212 F215 T216 I219L12-M28 HydrophobicContact CD1-CB 4.09Å; L12-M28 HydrophobicContact CD1-CG 4.28Å; L12-M28 HydrophobicContact CD1-SD 4.29Å; L12-M28 HydrophobicContact CD2-CG 4.49Å; L12-M28 HydrophobicContact CD2-SD 3.75Å; W24-M28 HydrophobicContact CE3-CE 3.86Å; W24-M28 HydrophobicContact CZ3-CE 3.71Å; W24-M28 HydrophobicContact CZ3-SD 4.05Å; W24-M28 VanDerWaalsContact O-CB 3.31Å; W24-M28 WeakPolarHBondContact O-CB 3Å; W24-M28 PolarHBondContact O-N 3.46Å; M28-K30 VanDerWaalsContact C-N 3.31Å; M28-K30 PolarHBondContact O-N 2.98Å; M28-A31 WeakPolarHBondContact O-CB 3.41Å; M28-A31 PolarHBondContact O-N 3.47Å; M28-A31 VanDerWaalsContact O-N 3.12Å; M28-L32 HydrophobicContact CG-CD1 4.1Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 WeakPolarHBondContact O-CG 3.47Å; M28-L32 PolarHBondContact O-N 3.17Å; M28-I92 HydrophobicContact SD-CD1 4.28Å; M28-I92 HydrophobicContact SD-CG2 4.04Å; M28-L122 HydrophobicContact CE-CD1 3.91Å; M28-Q212 HydrophobicContact CE-CB 4.37Å; M28-F215 HydrophobicContact CE-CB 4.4Å; M28-F215 HydrophobicContact CE-CD1 3.84Å; M28-F215 HydrophobicContact CE-CG 4.48Å; M28-F215 HydrophobicContact SD-CD1 3.9Å; M28-F215 HydrophobicContact SD-CE1 4.19Å; M28-T216 HydrophobicContact CB-CG2 4.4Å; M28-T216 VanDerWaalsContact CE-OG1 3.28Å; M28-T216 WeakPolarHBondContact CE-OG1 3.21Å; M28-I219 HydrophobicContact CG-CD1 4.04Å
29A98.4Very high95.5Very high7 Ų760.4 Ų60.46%0.05834%0.335CS..Hα-helixtrans-56.9-44.917600000111.8L12 M25 W26 L32 L33 V43 L45L12-A29 HydrophobicContact CD1-CB 4.09Å; M25-A29 VanDerWaalsContact O-CB 3.23Å; M25-A29 WeakPolarHBondContact O-CB 3.44Å; M25-A29 PolarHBondContact O-N 3Å; W26-A29 PolarHBondContact O-N 3.32Å; A29-L32 PolarHBondContact O-N 3.44Å; A29-L33 WeakPolarHBondContact O-CB 3.2Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 3.35Å; A29-V43 HydrophobicContact CB-CB 4.15Å; A29-V43 HydrophobicContact CB-CG1 3.67Å; A29-V43 HydrophobicContact CB-CG2 4.32Å; A29-L45 HydrophobicContact CB-CD2 4.35Å
30K98Very high95.5Very high127 Ų12763.8 Ų63.855%0.55234%0.341SS*.Hα-helixtrans-63.2-42.5175.3-70.5165.9-168.4163.70111.8W26 D27 M28 A34W26-K30 WeakPolarHBondContact O-CD 3.35Å; W26-K30 VanDerWaalsContact O-CG 3.24Å; W26-K30 WeakPolarHBondContact O-CG 3.48Å; W26-K30 PolarHBondContact O-N 2.9Å; D27-K30 PolarHBondContact O-N 3.36Å; M28-K30 VanDerWaalsContact C-N 3.31Å; M28-K30 PolarHBondContact O-N 2.98Å; K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.23Å
31A98.3Very high95.7Very high28 Ų2864.2 Ų64.223%0.23134%0.344CS..Hα-helixtrans-62.2-45.2177.800000111.7D27 M28 A34 H35 T216 I219D27-A31 WeakPolarHBondContact O-CB 3.29Å; D27-A31 PolarHBondContact O-N 3.1Å; M28-A31 WeakPolarHBondContact O-CB 3.41Å; M28-A31 PolarHBondContact O-N 3.47Å; M28-A31 VanDerWaalsContact O-N 3.12Å; A31-A34 PolarHBondContact O-N 3.13Å; A31-H35 WeakPolarHBondContact O-CB 3.48Å; A31-H35 PolarHBondContact O-N 2.84Å; A31-T216 HydrophobicContact CB-CG2 4.18Å; A31-I219 HydrophobicContact CB-CB 4.47Å; A31-I219 HydrophobicContact CB-CD1 3.73Å; A31-I219 HydrophobicContact CB-CG2 4.37Å
32L98.3Very high95.9Very high0 Ų058.4 Ų58.40%032%0.319CS..Hα-helixtrans-61.5-48.9176.9-69.5168.1000111.8F10 L12 M28 A29 A34 H35 E36 V43 I92 I219 Y256F10-L32 HydrophobicContact CB-CD1 3.99Å; F10-L32 HydrophobicContact CD1-CD1 4.05Å; F10-L32 HydrophobicContact CD1-CD2 4.11Å; F10-L32 HydrophobicContact CD2-CB 4.22Å; F10-L32 HydrophobicContact CD2-CD1 4.19Å; F10-L32 HydrophobicContact CE1-CD2 3.88Å; F10-L32 HydrophobicContact CE2-CB 4.23Å; F10-L32 HydrophobicContact CE2-CD2 4.31Å; F10-L32 HydrophobicContact CG-CD1 3.81Å; F10-L32 HydrophobicContact CG-CD2 4.44Å; F10-L32 HydrophobicContact CZ-CD2 3.97Å; L12-L32 HydrophobicContact CD2-CD1 4.06Å; M28-L32 HydrophobicContact CG-CD1 4.1Å; M28-L32 HydrophobicContact CG-CG 4.38Å; M28-L32 WeakPolarHBondContact O-CG 3.47Å; M28-L32 PolarHBondContact O-N 3.17Å; A29-L32 PolarHBondContact O-N 3.44Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 2.78Å; L32-H35 PolarHBondContact O-N 2.88Å; L32-E36 PolarHBondContact O-N 2.97Å; L32-E36 VanDerWaalsContact O-N 3.12Å; L32-V43 HydrophobicContact CB-CG2 4.24Å; L32-V43 HydrophobicContact CD1-CG2 4.41Å; L32-I92 HydrophobicContact CD1-CD1 4.19Å; L32-I219 HydrophobicContact CD2-CD1 3.71Å; L32-I219 HydrophobicContact CD2-CG1 4.11Å; L32-I219 HydrophobicContact CG-CD1 3.82Å; L32-Y256 HydrophobicContact CD2-CD2 3.77Å; L32-Y256 HydrophobicContact CD2-CE2 3.45Å; L32-Y256 VanDerWaalsContact CD2-CE2 3.45Å
33L97.2Very high96.2Very high87 Ų8758.9 Ų58.946%0.45532%0.323SS..Hα-helixtrans-64.6-33.4179.1-70.4171.2000112.9A29 A41 V43A29-L33 WeakPolarHBondContact O-CB 3.2Å; A29-L33 VanDerWaalsContact O-CG 3.26Å; A29-L33 WeakPolarHBondContact O-CG 3.32Å; A29-L33 PolarHBondContact O-N 3.35Å; L33-A41 HydrophobicContact CD2-CB 3.92Å; L33-V43 HydrophobicContact CD1-CG2 4.35Å; L33-V43 HydrophobicContact CD2-CG2 3.98Å; L33-V43 HydrophobicContact CG-CG2 3.81Å
34A97Very high96.4Very high89 Ų8956.4 Ų56.474%0.73631%0.306SS*.Hα-helixtrans-79.2-27.3179.100000113.2K30 A31 L32K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.23Å; A31-A34 PolarHBondContact O-N 3.13Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 2.78Å
35H96.9Very high96.6Very high75 Ų7557.8 Ų57.835%0.34732%0.315SS..Hα-helixtrans-80-40.2178.9-178.481.2000112.4A31 L32 I219 Y256 H257A31-H35 WeakPolarHBondContact O-CB 3.48Å; A31-H35 PolarHBondContact O-N 2.84Å; L32-H35 PolarHBondContact O-N 2.88Å; H35-I219 HydrophobicContact CB-CG2 3.45Å; H35-I219 VanDerWaalsContact CB-CG2 3.45Å; H35-I219 PolarHBondContact CE1-O 3.48Å; H35-I219 PolarHBondContact ND1-O 3.38Å; H35-Y256 AromaticContact CD2-CE1 3.34Å; H35-Y256 WeakPolarHBondContact CD2-CE1 3.47Å; H35-Y256 AromaticContact CD2-CZ 3.97Å; H35-Y256 AromaticContact NE2-CD1 3.89Å; H35-Y256 AromaticContact NE2-CE1 3.44Å; H35-Y256 WeakPolarHBondContact NE2-CE1 3.2Å; H35-H257 AromaticContact CE1-CE1 3.9Å; H35-H257 AromaticContact NE2-CE1 3.77Å
36E95.3Very high96.6Very high29 Ų2958.7 Ų58.714%0.13632%0.319CS..SBendtrans-74151.5177.1-71.6-67.5140.200111.5K8 F10 L32 A41 Y256K8-E36 HydrophobicContact CD-CG 4.42Å; K8-E36 IonicContact NZ-OE1 3.59Å; K8-E36 PolarHBondContact NZ-OE1 3.15Å; K8-E36 IonicContact NZ-OE2 2.78Å; F10-E36 HydrophobicContact CE2-CG 4.26Å; F10-E36 HydrophobicContact CZ-CG 4.39Å; L32-E36 PolarHBondContact O-N 2.97Å; L32-E36 VanDerWaalsContact O-N 3.12Å; E36-A41 HydrophobicContact CB-CB 3.59Å; E36-A41 HydrophobicContact CG-CB 3.91Å; E36-Y256 PolarHBondContact OE1-OH 3.31Å
37P94.2Very high96.6Very high84 Ų8458.1 Ų58.155%0.54532%0.324SS..PPolyproline II helixtrans-55.5148.7176.8-23.232.1000112G39 R40P37-G39 PolarHBondContact O-N 2.9Å; P37-R40 HydrophobicContact CB-CB 4.05Å; P37-R40 HydrophobicContact CB-CG 3.9Å; P37-R40 HydrophobicContact CG-CB 4.37Å; P37-R40 HydrophobicContact CG-CG 4.42Å; P37-R40 WeakPolarHBondContact O-CA 3.23Å; P37-R40 VanDerWaalsContact O-CB 3.28Å; P37-R40 WeakPolarHBondContact O-CB 3.37Å; P37-R40 PolarHBondContact O-N 3.26Å
38E90.7Very high96.6Very high201 Ų20154.8 Ų54.894%0.93931%0.305SS*.THydrogen-bonded Turntrans-53.3127.3-178.4-170.7177.4-176.900111.4R40E38-R40 VanDerWaalsContact C-N 3.26Å; E38-R40 PolarHBondContact O-N 2.94Å
39G89.4Confident96.5Very high50 Ų5055.5 Ų55.552%0.51531%0.312SS..THydrogen-bonded Turntrans70.613.1-177.300000115.2N4 P37N4-G39 WeakPolarHBondContact CB-O 3.39Å; N4-G39 PolarHBondContact ND2-O 3.43Å; P37-G39 PolarHBondContact O-N 2.9Å
40R94.4Very high96.4Very high112 Ų11259.2 Ų59.242%0.42335%0.352SS..SBendtrans-109.411.9176-67.2-65.2-163.1124.611.5114.4K6 G7 K8 P37 E38K6-R40 PolarHBondContact O-NH1 3.33Å; G7-R40 CarbonylContact C-O 2.94Å; G7-R40 WeakPolarHBondContact CA-O 3.26Å; K8-R40 PolarHBondContact N-O 3.43Å; P37-R40 HydrophobicContact CB-CB 4.05Å; P37-R40 HydrophobicContact CB-CG 3.9Å; P37-R40 HydrophobicContact CG-CB 4.37Å; P37-R40 HydrophobicContact CG-CG 4.42Å; P37-R40 WeakPolarHBondContact O-CA 3.23Å; P37-R40 VanDerWaalsContact O-CB 3.28Å; P37-R40 WeakPolarHBondContact O-CB 3.37Å; P37-R40 PolarHBondContact O-N 3.26Å; E38-R40 VanDerWaalsContact C-N 3.26Å; E38-R40 PolarHBondContact O-N 2.94Å
41A96.3Very high96.3Very high13 Ų1354 Ų5411%0.10733%0.334CS..EExtended strand (participates in β ladder)trans-137150.7171.600000112K8 F10 L33 E36K8-A41 CarbonylContact O-C 3.58Å; K8-A41 WeakPolarHBondContact O-CA 3.27Å; F10-A41 HydrophobicContact CD2-CB 4.49Å; F10-A41 HydrophobicContact CE2-CB 4.04Å; L33-A41 HydrophobicContact CD2-CB 3.92Å; E36-A41 HydrophobicContact CB-CB 3.59Å; E36-A41 HydrophobicContact CG-CB 3.91Å
42S97.3Very high96.1Very high15 Ų1552.7 Ų52.711%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-137.4137169.3-65.20000108.2M3 K8 I9 F10M3-S42 WeakPolarHBondContact CG-OG 3.13Å; K8-S42 PolarHBondContact O-N 2.97Å; I9-S42 WeakPolarHBondContact CA-O 3.48Å; F10-S42 PolarHBondContact N-O 3.41Å
43V97.7Very high95.7Very high32 Ų3255.7 Ų55.719%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-120.3128.5-180-174.20000108.9F10 L12 A29 L32 L33 L45F10-V43 HydrophobicContact CB-CG1 4.36Å; F10-V43 HydrophobicContact CB-CG2 4.22Å; F10-V43 HydrophobicContact CD2-CG2 4.13Å; F10-V43 CarbonylContact O-C 3.55Å; F10-V43 WeakPolarHBondContact O-CA 3.48Å; L12-V43 HydrophobicContact CD1-CG1 3.88Å; L12-V43 HydrophobicContact CG-CG1 3.84Å; A29-V43 HydrophobicContact CB-CB 4.15Å; A29-V43 HydrophobicContact CB-CG1 3.67Å; A29-V43 HydrophobicContact CB-CG2 4.32Å; L32-V43 HydrophobicContact CB-CG2 4.24Å; L32-V43 HydrophobicContact CD1-CG2 4.41Å; L33-V43 HydrophobicContact CD1-CG2 4.35Å; L33-V43 HydrophobicContact CD2-CG2 3.98Å; L33-V43 HydrophobicContact CG-CG2 3.81Å; V43-L45 HydrophobicContact CG1-CD2 4Å
44V97.8Very high95.3Very high27 Ų2755.8 Ų55.816%0.16435%0.35CS..EExtended strand (participates in β ladder)trans-114119.9177.6-176.80000108M3 F10 L11 L12 I46 L77M3-V44 HydrophobicContact CE-CG2 3.79Å; F10-V44 PolarHBondContact O-N 3.02Å; L11-V44 CarbonylContact C-O 3.56Å; L11-V44 WeakPolarHBondContact CA-O 3.34Å; L11-V44 HydrophobicContact CG-CB 4.34Å; L12-V44 PolarHBondContact N-O 2.97Å; V44-I46 HydrophobicContact CG1-CD1 3.94Å; V44-L77 HydrophobicContact CG2-CD1 4.27Å
45L98.4Very high95.1Very high47 Ų4755.7 Ų55.725%0.24634%0.342CS..EExtended strand (participates in β ladder)trans-89.8119.8175.3-52.4-173.1000108.8L12 M25 W26 A29 V43 D47L12-L45 HydrophobicContact CB-CD2 3.83Å; L12-L45 HydrophobicContact CD1-CD2 3.75Å; L12-L45 HydrophobicContact CG-CD2 4.05Å; M25-L45 HydrophobicContact CB-CD2 4.24Å; M25-L45 HydrophobicContact CE-CB 3.97Å; M25-L45 HydrophobicContact CE-CD2 4.11Å; W26-L45 HydrophobicContact CD2-CD1 3.96Å; W26-L45 HydrophobicContact CE3-CD1 4.36Å; W26-L45 HydrophobicContact CG-CD1 4.48Å; W26-L45 HydrophobicContact CH2-CD1 4.2Å; W26-L45 HydrophobicContact CZ2-CD1 3.75Å; W26-L45 HydrophobicContact CZ3-CD1 4.48Å; A29-L45 HydrophobicContact CB-CD2 4.35Å; V43-L45 HydrophobicContact CG1-CD2 4Å; L45-D47 PolarHBondContact O-N 3.29Å
46I98.4Very high94.8Very high18 Ų1854.8 Ų54.89%0.09234%0.336CS..EExtended strand (participates in β ladder)trans-89.295.5176.1-55.1-57.8000108.2L11 L12 V13 H14 V44 V66 T70L11-I46 HydrophobicContact CD2-CD1 4.11Å; L11-I46 HydrophobicContact CD2-CG1 4.34Å; L12-I46 PolarHBondContact O-N 3.3Å; V13-I46 HydrophobicContact CG1-CB 4.49Å; V13-I46 HydrophobicContact CG2-CB 4.08Å; V13-I46 HydrophobicContact CG2-CG1 4.02Å; H14-I46 PolarHBondContact CD2-O 3.09Å; H14-I46 VanDerWaalsContact CD2-O 3.3Å; V44-I46 HydrophobicContact CG1-CD1 3.94Å; I46-V66 HydrophobicContact CG2-CG1 4.47Å; I46-T70 HydrophobicContact CD1-CG2 4.27Å; I46-T70 HydrophobicContact CG1-CG2 4.24Å
47D98.3Very high94.8Very high96 Ų9658.1 Ų58.151%0.51336%0.358SS..  trans-86.7113174.8-174.715000110.9H14 G20 L45 G49H14-D47 IonicContact NE2-OD1 3.98Å; H14-D47 PolarHBondContact NE2-OD1 3.42Å; G20-D47 VanDerWaalsContact N-CG 3.27Å; G20-D47 PolarHBondContact N-OD1 3.3Å; L45-D47 PolarHBondContact O-N 3.29Å; D47-G49 PolarHBondContact OD1-N 3.43Å
48W98Very high94.9Very high14 Ų1458.9 Ų58.95%0.05335%0.354CS..  trans-124.424.8174.368.9-76.5000111.7H14 G15 G50 G51 A52 A59 I63 V66 L96 L100H14-W48 AromaticContact CD2-CD1 3.75Å; H14-W48 AromaticContact CD2-NE1 3.95Å; H14-W48 AromaticContact CE1-CD1 3.25Å; H14-W48 AromaticContact CE1-CD2 3.92Å; H14-W48 AromaticContact CE1-CE2 3.65Å; H14-W48 AromaticContact CE1-CG 3.67Å; H14-W48 AromaticContact CE1-NE1 3.23Å; H14-W48 PolarHBondContact CE1-NE1 3.45Å; H14-W48 AromaticContact CG-NE1 3.77Å; H14-W48 AromaticContact ND1-CD1 3.76Å; H14-W48 AromaticContact ND1-CE2 3.81Å; H14-W48 AromaticContact ND1-NE1 3.31Å; H14-W48 PolarHBondContact ND1-NE1 3.01Å; H14-W48 AromaticContact NE2-CD1 3.23Å; H14-W48 AromaticContact NE2-CG 3.78Å; H14-W48 PolarHBondContact NE2-N 3.06Å; H14-W48 AromaticContact NE2-NE1 3.64Å; H14-W48 WeakPolarHBondContact O-CZ2 3.33Å; H14-W48 PolarHBondContact O-NE1 3.42Å; G15-W48 WeakPolarHBondContact O-CZ2 3.49Å; W48-G50 PolarHBondContact O-N 3Å; W48-G51 WeakPolarHBondContact CZ3-O 3.49Å; W48-G51 CarbonylContact O-C 3.53Å; W48-G51 WeakPolarHBondContact O-CA 3.43Å; W48-G51 PolarHBondContact O-N 3.26Å; W48-A52 HydrophobicContact CD2-CB 3.91Å; W48-A52 HydrophobicContact CE3-CB 3.63Å; W48-A52 HydrophobicContact CH2-CB 3.57Å; W48-A52 HydrophobicContact CZ2-CB 3.84Å; W48-A52 HydrophobicContact CZ3-CB 3.48Å; W48-A52 VanDerWaalsContact CZ3-CB 3.48Å; W48-A52 PolarHBondContact O-N 2.92Å; W48-A52 VanDerWaalsContact O-N 3.09Å; W48-A59 HydrophobicContact CZ3-CB 4.46Å; W48-I63 HydrophobicContact CD2-CG2 4.48Å; W48-I63 HydrophobicContact CE3-CG2 4.08Å; W48-I63 HydrophobicContact CH2-CG2 3.33Å; W48-I63 HydrophobicContact CZ2-CG2 3.79Å; W48-I63 HydrophobicContact CZ3-CG2 3.47Å; W48-I63 VanDerWaalsContact CZ3-CG2 3.47Å; W48-V66 HydrophobicContact CB-CG1 3.78Å; W48-V66 HydrophobicContact CB-CG2 4.12Å; W48-V66 HydrophobicContact CE3-CG2 4.5Å; W48-V66 HydrophobicContact CG-CG1 4.19Å; W48-L96 HydrophobicContact CH2-CB 4.02Å; W48-L96 HydrophobicContact CH2-CD1 3.93Å; W48-L96 HydrophobicContact CZ2-CB 4.04Å; W48-L100 HydrophobicContact CD2-CD1 4.18Å; W48-L100 HydrophobicContact CG-CD1 4.13Å
49G96.6Very high95.3Very high14 Ų1449.3 Ų49.314%0.14431%0.309CS..THydrogen-bonded Turntrans-55.5-30.2-175.500000114.6H14 E18 D47 G51 A52H14-G49 PolarHBondContact CE1-N 3.5Å; H14-G49 PolarHBondContact NE2-N 2.94Å; E18-G49 VanDerWaalsContact O-CA 3.3Å; E18-G49 WeakPolarHBondContact O-CA 3.46Å; D47-G49 PolarHBondContact OD1-N 3.43Å; G49-G51 PolarHBondContact O-N 3.43Å; G49-A52 PolarHBondContact O-N 2.78Å
50G95.6Very high95.6Very high86 Ų8647.8 Ų47.889%0.88729%0.29SS*.THydrogen-bonded Turntrans-62.1-2817300000114.1W48W48-G50 PolarHBondContact O-N 3Å
51G96.1Very high95.8Very high18 Ų1844.7 Ų44.719%0.18629%0.289CS..THydrogen-bonded Turntrans-101.4-8.9175.900000114.7W48 G49 N62W48-G51 WeakPolarHBondContact CZ3-O 3.49Å; W48-G51 CarbonylContact O-C 3.53Å; W48-G51 WeakPolarHBondContact O-CA 3.43Å; W48-G51 PolarHBondContact O-N 3.26Å; G49-G51 PolarHBondContact O-N 3.43Å; G51-N62 WeakPolarHBondContact CA-ND2 3.28Å; G51-N62 PolarHBondContact O-ND2 3.27Å
52A94.9Very high95.9Very high0 Ų046.2 Ų46.20%030%0.295CS..SBendtrans-88.9-3.9-176.300000114.3Y16 L17 W48 G49Y16-A52 WeakPolarHBondContact CD2-O 3.41Å; Y16-A52 VanDerWaalsContact CE2-O 3.31Å; Y16-A52 WeakPolarHBondContact CE2-O 3.47Å; L17-A52 PolarHBondContact N-O 3.22Å; W48-A52 HydrophobicContact CD2-CB 3.91Å; W48-A52 HydrophobicContact CE3-CB 3.63Å; W48-A52 HydrophobicContact CH2-CB 3.57Å; W48-A52 HydrophobicContact CZ2-CB 3.84Å; W48-A52 HydrophobicContact CZ3-CB 3.48Å; W48-A52 VanDerWaalsContact CZ3-CB 3.48Å; W48-A52 PolarHBondContact O-N 2.92Å; W48-A52 VanDerWaalsContact O-N 3.09Å; G49-A52 PolarHBondContact O-N 2.78Å
53S89.9Confident96Very high63 Ų6345.5 Ų45.544%0.44129%0.29SS..SBendtrans-79.2164.1-178.6-69.60000112.7
54P87.4Confident96Very high88 Ų8851.3 Ų51.357%0.57131%0.308SS*.SBendtrans-57.9153.8176.8-21.632.8000113.1Y16 L17Y16-P54 WeakPolarHBondContact OH-CA 3.26Å; Y16-P54 WeakPolarHBondContact OH-CB 3.04Å; Y16-P54 WeakPolarHBondContact OH-CG 3.36Å; L17-P54 VanDerWaalsContact CD2-CD 3.49Å; L17-P54 HydrophobicContact CD2-CG 3.71Å
55P93.9Very high96Very high87 Ų8755.6 Ų55.657%0.56533%0.329SS*.PPolyproline II helixcis-80.1149.83.631.4-33.9000113.2V57 Q58 A59P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 PolarHBondContact O-N 3.47Å; P55-Q58 HydrophobicContact CG-CB 3.81Å; P55-Q58 WeakPolarHBondContact O-CA 3.42Å; P55-Q58 WeakPolarHBondContact O-CB 3.4Å; P55-Q58 PolarHBondContact O-N 2.85Å; P55-A59 PolarHBondContact O-N 3.47Å; P55-A59 VanDerWaalsContact O-N 3.12Å
56Y89.8Confident96Very high56 Ų5654.5 Ų54.522%0.2233%0.325CS..Hα-helixtrans-53.5-42.4-176.5-177.2-98.8000113.6Y16 Q58 A59 V60 L96 P127 L128Y16-Y56 AromaticContact CD1-CD2 3.7Å; Y16-Y56 HydrophobicContact CD1-CD2 3.7Å; Y16-Y56 HydrophobicContact CD1-CE2 4.19Å; Y16-Y56 AromaticContact CD2-CD2 3.9Å; Y16-Y56 HydrophobicContact CD2-CD2 3.9Å; Y16-Y56 AromaticContact CE1-CD2 3.76Å; Y16-Y56 HydrophobicContact CE1-CD2 3.76Å; Y16-Y56 AromaticContact CE2-CD2 3.96Å; Y16-Y56 HydrophobicContact CE2-CD2 3.96Å; Y16-Y56 AromaticContact CG-CD2 3.8Å; Y16-Y56 HydrophobicContact CG-CD2 3.8Å; Y16-Y56 HydrophobicContact CG-CE2 4.14Å; Y16-Y56 AromaticContact CZ-CD2 3.89Å; Y16-Y56 PolarHBondContact OH-N 2.97Å; Y56-Q58 PolarHBondContact O-N 2.99Å; Y56-A59 WeakPolarHBondContact O-CB 3.46Å; Y56-A59 PolarHBondContact O-N 3.12Å; Y56-A59 VanDerWaalsContact O-N 3.11Å; Y56-V60 HydrophobicContact CD1-CG2 3.95Å; Y56-V60 HydrophobicContact CE1-CG2 3.5Å; Y56-V60 HydrophobicContact CE2-CG2 4.4Å; Y56-V60 WeakPolarHBondContact O-CG2 3.23Å; Y56-V60 PolarHBondContact O-N 3.26Å; Y56-L96 HydrophobicContact CE2-CD1 4.09Å; Y56-L96 HydrophobicContact CE2-CD2 4.24Å; Y56-L96 HydrophobicContact CE2-CG 4.31Å; Y56-P127 HydrophobicContact CE1-CB 3.77Å; Y56-P127 PolarHBondContact OH-O 2.78Å; Y56-L128 HydrophobicContact CD1-CD1 4.32Å; Y56-L128 HydrophobicContact CE1-CD1 4.27Å
57V94.9Very high96.1Very high100 Ų10053.6 Ų53.661%0.60632%0.32SS*.Hα-helixtrans-58.6-37.3177.5-176.40000111.7P55 A61 L128P55-V57 VanDerWaalsContact C-N 3.3Å; P55-V57 PolarHBondContact O-N 3.47Å; V57-A61 PolarHBondContact O-N 2.87Å; V57-L128 HydrophobicContact CG1-CD1 4.46Å; V57-L128 HydrophobicContact CG2-CD1 4.2Å
58Q98Very high96.1Very high99 Ų9949.9 Ų49.946%0.46330%0.303SS..Hα-helixtrans-72.2-40.6176.8-173.461.356.800111.2P55 Y56 V60 A61 N62P55-Q58 HydrophobicContact CG-CB 3.81Å; P55-Q58 WeakPolarHBondContact O-CA 3.42Å; P55-Q58 WeakPolarHBondContact O-CB 3.4Å; P55-Q58 PolarHBondContact O-N 2.85Å; Y56-Q58 PolarHBondContact O-N 2.99Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 2.81Å; Q58-A61 PolarHBondContact O-N 3.47Å; Q58-A61 VanDerWaalsContact O-N 3.13Å; Q58-N62 PolarHBondContact NE2-OD1 3.27Å; Q58-N62 WeakPolarHBondContact O-CB 3.49Å; Q58-N62 PolarHBondContact O-N 2.99Å; Q58-N62 PolarHBondContact O-ND2 3.49Å; Q58-N62 PolarHBondContact O-OD1 2.86Å
59A97.5Very high96.1Very high0 Ų053.5 Ų53.50%032%0.322CS..Hα-helixtrans-59.8-41.4174.300000111.6Y16 W48 P55 Y56 A61 N62 I63 L96Y16-A59 HydrophobicContact CD2-CB 3.57Å; Y16-A59 HydrophobicContact CE2-CB 3.72Å; W48-A59 HydrophobicContact CZ3-CB 4.46Å; P55-A59 PolarHBondContact O-N 3.47Å; P55-A59 VanDerWaalsContact O-N 3.12Å; Y56-A59 WeakPolarHBondContact O-CB 3.46Å; Y56-A59 PolarHBondContact O-N 3.12Å; Y56-A59 VanDerWaalsContact O-N 3.11Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.19Å; A59-N62 PolarHBondContact O-N 2.94Å; A59-I63 PolarHBondContact O-N 2.86Å; A59-I63 VanDerWaalsContact O-N 3.15Å; A59-L96 HydrophobicContact CB-CD1 3.95Å
60V97.4Very high96.2Very high19 Ų1953 Ų5312%0.11532%0.316CS..Hα-helixtrans-60.1-40.9172.6167.30000112.1Y56 Q58 I63 L96 L128 F129Y56-V60 HydrophobicContact CD1-CG2 3.95Å; Y56-V60 HydrophobicContact CE1-CG2 3.5Å; Y56-V60 HydrophobicContact CE2-CG2 4.4Å; Y56-V60 WeakPolarHBondContact O-CG2 3.23Å; Y56-V60 PolarHBondContact O-N 3.26Å; Q58-V60 VanDerWaalsContact C-N 3.3Å; Q58-V60 PolarHBondContact O-N 2.81Å; V60-I63 WeakPolarHBondContact O-CG1 3.42Å; V60-L96 HydrophobicContact CG2-CD1 4.3Å; V60-L96 HydrophobicContact CG2-CD2 3.81Å; V60-L128 HydrophobicContact CB-CD1 4.24Å; V60-L128 HydrophobicContact CG1-CB 4.21Å; V60-L128 HydrophobicContact CG1-CD1 4.11Å; V60-L128 HydrophobicContact CG2-CD1 4.13Å; V60-F129 HydrophobicContact CB-CZ 4.44Å; V60-F129 HydrophobicContact CG1-CE2 4.08Å; V60-F129 HydrophobicContact CG1-CZ 3.74Å; V60-F129 HydrophobicContact CG2-CE2 3.87Å; V60-F129 HydrophobicContact CG2-CZ 4.2Å
61A98Very high96.4Very high47 Ų4748.9 Ų48.939%0.38827%0.274SS..Hα-helixtrans-68.3-39.4174.800000112.3V57 Q58 A59 I63 R64V57-A61 PolarHBondContact O-N 2.87Å; Q58-A61 PolarHBondContact O-N 3.47Å; Q58-A61 VanDerWaalsContact O-N 3.13Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 3.19Å; A61-I63 PolarHBondContact O-N 3.49Å; A61-R64 WeakPolarHBondContact O-CB 2.97Å; A61-R64 PolarHBondContact O-N 2.83Å
62N98.6Very high96.5Very high45 Ų4552.7 Ų52.724%0.24129%0.287CS..Hα-helixtrans-62.8-39.4-177.1-70.7-14.5000112.1G51 Q58 A59 R64 L65 V66G51-N62 WeakPolarHBondContact CA-ND2 3.28Å; G51-N62 PolarHBondContact O-ND2 3.27Å; Q58-N62 PolarHBondContact NE2-OD1 3.27Å; Q58-N62 WeakPolarHBondContact O-CB 3.49Å; Q58-N62 PolarHBondContact O-N 2.99Å; Q58-N62 PolarHBondContact O-ND2 3.49Å; Q58-N62 PolarHBondContact O-OD1 2.86Å; A59-N62 PolarHBondContact O-N 2.94Å; N62-R64 PolarHBondContact O-N 2.96Å; N62-L65 PolarHBondContact O-N 3.33Å; N62-V66 WeakPolarHBondContact O-CG2 3.11Å; N62-V66 PolarHBondContact O-N 2.83Å
63I98.6Very high96.6Very high0 Ų054.8 Ų54.80%030%0.3CS..Hα-helixtrans-62.1-19.3-177.961.9158.2000113.8W48 A59 V60 A61 G67 L96 H99 L100 Y103 F129W48-I63 HydrophobicContact CD2-CG2 4.48Å; W48-I63 HydrophobicContact CE3-CG2 4.08Å; W48-I63 HydrophobicContact CH2-CG2 3.33Å; W48-I63 HydrophobicContact CZ2-CG2 3.79Å; W48-I63 HydrophobicContact CZ3-CG2 3.47Å; W48-I63 VanDerWaalsContact CZ3-CG2 3.47Å; A59-I63 PolarHBondContact O-N 2.86Å; A59-I63 VanDerWaalsContact O-N 3.15Å; V60-I63 WeakPolarHBondContact O-CG1 3.42Å; A61-I63 PolarHBondContact O-N 3.49Å; I63-G67 PolarHBondContact O-N 2.94Å; I63-L96 HydrophobicContact CD1-CD2 4.48Å; I63-L96 HydrophobicContact CG2-CB 4.19Å; I63-H99 HydrophobicContact CD1-CB 3.63Å; I63-L100 HydrophobicContact CB-CB 4.04Å; I63-L100 HydrophobicContact CB-CD1 4.32Å; I63-L100 HydrophobicContact CB-CG 4.33Å; I63-L100 HydrophobicContact CG2-CB 4.31Å; I63-L100 HydrophobicContact CG2-CD1 4.13Å; I63-Y103 HydrophobicContact CD1-CD2 4.29Å; I63-Y103 HydrophobicContact CD1-CE2 3.82Å; I63-Y103 HydrophobicContact CG1-CD2 4.36Å; I63-Y103 HydrophobicContact CG1-CE2 3.96Å; I63-F129 HydrophobicContact CD1-CE1 4.13Å; I63-F129 HydrophobicContact CD1-CZ 3.63Å
64R98.3Very high97.1Very high154 Ų15452 Ų5258%0.58128%0.28SS*.Hα-helixtrans-64.7-49.5171.8-60.6179.768.4171.42.5111A61 N62 A68 Y103A61-R64 WeakPolarHBondContact O-CB 2.97Å; A61-R64 PolarHBondContact O-N 2.83Å; N62-R64 PolarHBondContact O-N 2.96Å; R64-A68 PolarHBondContact O-N 2.85Å; R64-Y103 HydrophobicContact CB-CE2 4.44Å; R64-Y103 HydrophobicContact CG-CD2 4.36Å; R64-Y103 HydrophobicContact CG-CE1 4.16Å; R64-Y103 HydrophobicContact CG-CE2 3.72Å
65L98.4Very high97.6Very high116 Ų11650 Ų5061%0.60726%0.263SS*.Hα-helixtrans-67.2-44.1176.9176.661.1000110.7N62 G67 A68 I69N62-L65 PolarHBondContact O-N 3.33Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.06Å; L65-A68 PolarHBondContact O-N 2.76Å; L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.94Å; L65-I69 WeakPolarHBondContact O-CG1 3.28Å; L65-I69 PolarHBondContact O-N 3.27Å
66V98.6Very high97.8Very high24 Ų2450.8 Ų50.815%0.14526%0.26CS..Hα-helixtrans-64-39.3179.5-174.40000110.8I46 W48 N62 A68 I69 T70 L100I46-V66 HydrophobicContact CG2-CG1 4.47Å; W48-V66 HydrophobicContact CB-CG1 3.78Å; W48-V66 HydrophobicContact CB-CG2 4.12Å; W48-V66 HydrophobicContact CE3-CG2 4.5Å; W48-V66 HydrophobicContact CG-CG1 4.19Å; N62-V66 WeakPolarHBondContact O-CG2 3.11Å; N62-V66 PolarHBondContact O-N 2.83Å; V66-A68 PolarHBondContact O-N 3.09Å; V66-I69 CarbonylContact O-C 3.54Å; V66-I69 WeakPolarHBondContact O-CB 3.49Å; V66-I69 PolarHBondContact O-N 2.85Å; V66-I69 VanDerWaalsContact O-N 3.15Å; V66-T70 PolarHBondContact O-N 3.02Å; V66-T70 PolarHBondContact O-OG1 2.81Å; V66-T70 VanDerWaalsContact O-OG1 3.07Å; V66-L100 HydrophobicContact CB-CD1 3.82Å; V66-L100 HydrophobicContact CB-CG 4.26Å; V66-L100 HydrophobicContact CG1-CD1 3.5Å; V66-L100 HydrophobicContact CG1-CD2 4.35Å; V66-L100 HydrophobicContact CG1-CG 4.16Å
67G98.8Very high98.1Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-59-44.317400000112.9I63 L65 I69 T70 A71 A104I63-G67 PolarHBondContact O-N 2.94Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.06Å; G67-I69 PolarHBondContact O-N 3.16Å; G67-T70 PolarHBondContact O-N 3.34Å; G67-A71 PolarHBondContact O-N 2.9Å; G67-A104 WeakPolarHBondContact O-CA 3.29Å
68A98.8Very high98.3Very high18 Ų1846.3 Ų46.315%0.14923%0.233CC..Hα-helixtrans-61.3-42.617300000112.1R64 L65 V66 A71 H72R64-A68 PolarHBondContact O-N 2.85Å; L65-A68 PolarHBondContact O-N 2.76Å; V66-A68 PolarHBondContact O-N 3.09Å; A68-A71 WeakPolarHBondContact O-CB 3.48Å; A68-A71 PolarHBondContact O-N 3.48Å; A68-H72 PolarHBondContact O-N 3.03Å; A68-H72 VanDerWaalsContact O-N 3.09Å; A68-H72 PolarHBondContact O-ND1 3.22Å
69I98.6Very high98.3Very high90 Ų9046.7 Ų46.746%0.46224%0.235SC..Hα-helixtrans-62.6-43.9175.5-67166.2000110.6L65 V66 G67 A71 H72 V73L65-I69 HydrophobicContact CD1-CD1 4.21Å; L65-I69 HydrophobicContact CD1-CG1 4.42Å; L65-I69 HydrophobicContact CG-CD1 3.94Å; L65-I69 WeakPolarHBondContact O-CG1 3.28Å; L65-I69 PolarHBondContact O-N 3.27Å; V66-I69 CarbonylContact O-C 3.54Å; V66-I69 WeakPolarHBondContact O-CB 3.49Å; V66-I69 PolarHBondContact O-N 2.85Å; V66-I69 VanDerWaalsContact O-N 3.15Å; G67-I69 PolarHBondContact O-N 3.16Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.88Å; I69-H72 WeakPolarHBondContact O-CB 3.18Å; I69-H72 PolarHBondContact O-N 3.41Å; I69-H72 VanDerWaalsContact O-N 3.12Å; I69-V73 WeakPolarHBondContact O-CG2 3.47Å; I69-V73 PolarHBondContact O-N 3.06Å
70T98.8Very high98.2Very high3 Ų352.8 Ų52.82%0.01826%0.263CS..Hα-helixtrans-60.8-40.7176.6-620000111.4L11 I46 V66 G67 H72 V73 V74 L100 A104L11-T70 HydrophobicContact CD2-CG2 3.85Å; I46-T70 HydrophobicContact CD1-CG2 4.27Å; I46-T70 HydrophobicContact CG1-CG2 4.24Å; V66-T70 PolarHBondContact O-N 3.02Å; V66-T70 PolarHBondContact O-OG1 2.81Å; V66-T70 VanDerWaalsContact O-OG1 3.07Å; G67-T70 PolarHBondContact O-N 3.34Å; T70-H72 VanDerWaalsContact C-N 3.33Å; T70-H72 PolarHBondContact O-N 3.41Å; T70-V73 WeakPolarHBondContact O-CB 3.22Å; T70-V73 PolarHBondContact O-N 3.29Å; T70-V74 WeakPolarHBondContact O-CG2 3.5Å; T70-V74 PolarHBondContact O-N 3.43Å; T70-L100 HydrophobicContact CG2-CD2 4.46Å; T70-A104 HydrophobicContact CG2-CB 3.93Å
71A98.9Very high98.1Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-59.3-42.9172.500000112.2G67 A68 I69 V73 V74 H75 A104 H107 L108 F112G67-A71 PolarHBondContact O-N 2.9Å; A68-A71 WeakPolarHBondContact O-CB 3.48Å; A68-A71 PolarHBondContact O-N 3.48Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 2.88Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.02Å; A71-V74 PolarHBondContact O-N 2.96Å; A71-H75 WeakPolarHBondContact O-CB 3.48Å; A71-H75 PolarHBondContact O-N 2.97Å; A71-A104 WeakPolarHBondContact CB-O 3.38Å; A71-H107 HydrophobicContact CB-CB 3.52Å; A71-L108 HydrophobicContact CB-CD2 4.27Å; A71-L108 HydrophobicContact CB-CG 3.91Å; A71-L108 WeakPolarHBondContact O-CD2 3.46Å; A71-F112 HydrophobicContact CB-CE2 4.5Å
72H98.6Very high98Very high98 Ų9861.4 Ų61.445%0.45429%0.285SS..Hα-helixtrans-66.4-34.4176.5-73.967.3000112.5A68 I69 T70 H75 M76 F112A68-H72 PolarHBondContact O-N 3.03Å; A68-H72 VanDerWaalsContact O-N 3.09Å; A68-H72 PolarHBondContact O-ND1 3.22Å; I69-H72 WeakPolarHBondContact O-CB 3.18Å; I69-H72 PolarHBondContact O-N 3.41Å; I69-H72 VanDerWaalsContact O-N 3.12Å; T70-H72 VanDerWaalsContact C-N 3.33Å; T70-H72 PolarHBondContact O-N 3.41Å; H72-H75 PolarHBondContact O-N 2.95Å; H72-M76 WeakPolarHBondContact O-CB 3.34Å; H72-M76 PolarHBondContact O-N 2.86Å; H72-F112 AromaticContact CD2-CZ 3.71Å; H72-F112 AromaticContact CE1-CZ 3.76Å; H72-F112 AromaticContact CG-CZ 3.9Å; H72-F112 AromaticContact ND1-CZ 3.94Å; H72-F112 AromaticContact NE2-CZ 3.64Å
73V98.1Very high97.9Very high44 Ų4459.6 Ų59.627%0.26728%0.276SS..Hα-helixtrans-64.8-45.2172.3170.90000110.6I69 T70 A71 H75 M76 L77I69-V73 WeakPolarHBondContact O-CG2 3.47Å; I69-V73 PolarHBondContact O-N 3.06Å; T70-V73 WeakPolarHBondContact O-CB 3.22Å; T70-V73 PolarHBondContact O-N 3.29Å; A71-V73 VanDerWaalsContact C-N 3.34Å; A71-V73 PolarHBondContact O-N 3.02Å; V73-H75 VanDerWaalsContact C-N 3.34Å; V73-H75 PolarHBondContact O-N 3.29Å; V73-M76 WeakPolarHBondContact O-CB 3.29Å; V73-M76 PolarHBondContact O-N 3.32Å; V73-L77 WeakPolarHBondContact O-CG 3.23Å; V73-L77 PolarHBondContact O-N 3.26Å
74V98.6Very high97.8Very high3 Ų365 Ų652%0.01831%0.31CS..Hα-helixtrans-62.8-42.3175.8173.40000111L11 T70 A71 M76 L77 Y78 L86 V89 L108L11-V74 HydrophobicContact CD1-CG2 4.03Å; L11-V74 HydrophobicContact CD2-CG2 3.36Å; L11-V74 HydrophobicContact CG-CG2 4.36Å; T70-V74 WeakPolarHBondContact O-CG2 3.5Å; T70-V74 PolarHBondContact O-N 3.43Å; A71-V74 PolarHBondContact O-N 2.96Å; V74-M76 PolarHBondContact O-N 3.47Å; V74-L77 WeakPolarHBondContact O-CB 3.49Å; V74-L77 PolarHBondContact O-N 2.91Å; V74-Y78 WeakPolarHBondContact O-CB 3.24Å; V74-Y78 PolarHBondContact O-N 3.28Å; V74-L86 HydrophobicContact CG1-CD1 3.81Å; V74-L86 HydrophobicContact CG1-CD2 4.06Å; V74-V89 HydrophobicContact CG1-CG1 4.31Å; V74-L108 HydrophobicContact CB-CD1 4.18Å; V74-L108 HydrophobicContact CB-CD2 3.96Å; V74-L108 HydrophobicContact CG1-CD1 3.86Å; V74-L108 HydrophobicContact CG1-CD2 3.81Å; V74-L108 HydrophobicContact CG1-CG 4.47Å
75H98.6Very high97.8Very high48 Ų4860.4 Ų60.422%0.22230%0.298CS..Hα-helixtrans-62.8-39.8175.1-179.9-100.9000112.4A71 H72 V73 L77 Y78 E79 F112A71-H75 WeakPolarHBondContact O-CB 3.48Å; A71-H75 PolarHBondContact O-N 2.97Å; H72-H75 PolarHBondContact O-N 2.95Å; V73-H75 VanDerWaalsContact C-N 3.34Å; V73-H75 PolarHBondContact O-N 3.29Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 2.91Å; H75-Y78 WeakPolarHBondContact O-CB 3.46Å; H75-Y78 PolarHBondContact O-N 3.09Å; H75-E79 PolarHBondContact O-N 3.15Å; H75-F112 HydrophobicContact CB-CD1 4.28Å; H75-F112 HydrophobicContact CB-CD2 3.89Å; H75-F112 HydrophobicContact CB-CE1 4.26Å; H75-F112 HydrophobicContact CB-CE2 3.87Å; H75-F112 HydrophobicContact CB-CG 4.1Å; H75-F112 HydrophobicContact CB-CZ 4.06Å; H75-F112 AromaticContact CD2-CD1 3.34Å; H75-F112 WeakPolarHBondContact CD2-CD1 3.32Å; H75-F112 AromaticContact CD2-CE1 3.96Å; H75-F112 AromaticContact CD2-CG 3.44Å; H75-F112 VanDerWaalsContact CD2-CG 3.44Å; H75-F112 WeakPolarHBondContact CD2-CG 3.26Å; H75-F112 AromaticContact CE1-CD1 3.77Å; H75-F112 AromaticContact CE1-CE1 3.88Å; H75-F112 AromaticContact CG-CD1 3.56Å; H75-F112 AromaticContact CG-CE1 3.7Å; H75-F112 AromaticContact CG-CG 3.74Å; H75-F112 AromaticContact ND1-CD1 3.82Å; H75-F112 AromaticContact ND1-CE1 3.65Å; H75-F112 AromaticContact NE2-CD1 3.48Å; H75-F112 WeakPolarHBondContact NE2-CD1 3.47Å
76M97.6Very high97.8Very high102 Ų10255 Ų5550%0.50227%0.269SS..Hα-helixtrans-59.4-45.4172.1-177.8-157.7-58.600111.2M1 H72 V73 V74 Y78 E79 E80M1-M76 HydrophobicContact CE-SD 4.49Å; H72-M76 WeakPolarHBondContact O-CB 3.34Å; H72-M76 PolarHBondContact O-N 2.86Å; V73-M76 WeakPolarHBondContact O-CB 3.29Å; V73-M76 PolarHBondContact O-N 3.32Å; V74-M76 PolarHBondContact O-N 3.47Å; M76-Y78 VanDerWaalsContact C-N 3.32Å; M76-Y78 PolarHBondContact O-N 3.48Å; M76-E79 PolarHBondContact O-N 3.04Å; M76-E80 HydrophobicContact CG-CG 4.19Å; M76-E80 VanDerWaalsContact O-CB 3.28Å; M76-E80 WeakPolarHBondContact O-CB 3.49Å; M76-E80 VanDerWaalsContact O-CG 3.23Å; M76-E80 WeakPolarHBondContact O-CG 3.24Å; M76-E80 PolarHBondContact O-N 3.46Å
77L97.2Very high97.7Very high13 Ų1358.3 Ų58.37%0.06829%0.286CS..Hα-helixtrans-62.8-40176.5-66.7174.9000111.7M1 M3 I9 V44 V73 V74 H75 L81M1-L77 HydrophobicContact SD-CD2 3.75Å; M3-L77 HydrophobicContact SD-CD2 3.89Å; I9-L77 HydrophobicContact CG2-CD1 4.31Å; V44-L77 HydrophobicContact CG2-CD1 4.27Å; V73-L77 WeakPolarHBondContact O-CG 3.23Å; V73-L77 PolarHBondContact O-N 3.26Å; V74-L77 WeakPolarHBondContact O-CB 3.49Å; V74-L77 PolarHBondContact O-N 2.91Å; H75-L77 VanDerWaalsContact C-N 3.34Å; H75-L77 PolarHBondContact O-N 2.91Å; L77-L81 WeakPolarHBondContact O-CB 3.24Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 2.93Å
78Y98.1Very high97.6Very high50 Ų5059.9 Ų59.920%0.19630%0.295CS..Hα-helixtrans-57-50.4175.3168-92.6000112V74 H75 M76 R82 L83 L86 L114V74-Y78 WeakPolarHBondContact O-CB 3.24Å; V74-Y78 PolarHBondContact O-N 3.28Å; H75-Y78 WeakPolarHBondContact O-CB 3.46Å; H75-Y78 PolarHBondContact O-N 3.09Å; M76-Y78 VanDerWaalsContact C-N 3.32Å; M76-Y78 PolarHBondContact O-N 3.48Å; Y78-R82 WeakPolarHBondContact O-CA 3.49Å; Y78-R82 PolarHBondContact O-N 2.96Å; Y78-L83 HydrophobicContact CD2-CB 3.75Å; Y78-L83 HydrophobicContact CE2-CB 4.28Å; Y78-L83 WeakPolarHBondContact CE2-O 3.46Å; Y78-L83 PolarHBondContact O-N 3.22Å; Y78-L86 HydrophobicContact CD2-CD2 3.77Å; Y78-L86 HydrophobicContact CG-CD2 4.23Å; Y78-L114 HydrophobicContact CD1-CD1 3.79Å; Y78-L114 HydrophobicContact CD2-CD1 3.95Å; Y78-L114 HydrophobicContact CD2-CD2 4.23Å; Y78-L114 HydrophobicContact CE1-CD1 4.07Å; Y78-L114 HydrophobicContact CE1-CD2 4.41Å; Y78-L114 HydrophobicContact CE2-CD1 4.23Å; Y78-L114 HydrophobicContact CE2-CD2 3.78Å; Y78-L114 HydrophobicContact CG-CD1 3.74Å
79E97.6Very high97.6Very high106 Ų10659.2 Ų59.250%0.49529%0.289SS..Hα-helixtrans-66.3-49.3179.1-72.3-66121.600112.1H75 M76 L81 R82H75-E79 PolarHBondContact O-N 3.15Å; M76-E79 PolarHBondContact O-N 3.04Å; E79-L81 PolarHBondContact O-N 2.66Å; E79-R82 PolarHBondContact O-N 3.4Å; E79-R82 VanDerWaalsContact O-N 3.17Å
80E95.8Very high97.6Very high129 Ų12955.5 Ų55.560%0.60327%0.269SS*.Hα-helixtrans-69.3-34.5-174.4-71-68.9151.900112.8M1 M76M1-E80 HydrophobicContact CE-CB 3.72Å; M1-E80 HydrophobicContact CE-CG 3.63Å; M1-E80 HydrophobicContact SD-CB 4.43Å; M76-E80 HydrophobicContact CG-CG 4.19Å; M76-E80 VanDerWaalsContact O-CB 3.28Å; M76-E80 WeakPolarHBondContact O-CB 3.49Å; M76-E80 VanDerWaalsContact O-CG 3.23Å; M76-E80 WeakPolarHBondContact O-CG 3.24Å; M76-E80 PolarHBondContact O-N 3.46Å
81L95.6Very high97.6Very high23 Ų2355.3 Ų55.312%0.1227%0.268CS..Hα-helixtrans-89-5.1175.8-59177.8000112.7M3 P5 I9 L77 E79 L83M3-L81 HydrophobicContact CB-CD1 4.08Å; M3-L81 HydrophobicContact CB-CD2 4.09Å; M3-L81 HydrophobicContact SD-CD1 4.33Å; P5-L81 HydrophobicContact CB-CB 4.24Å; I9-L81 HydrophobicContact CD1-CD1 3.76Å; L77-L81 WeakPolarHBondContact O-CB 3.24Å; L77-L81 VanDerWaalsContact O-CG 3.26Å; L77-L81 WeakPolarHBondContact O-CG 3.42Å; L77-L81 PolarHBondContact O-N 2.93Å; E79-L81 PolarHBondContact O-N 2.66Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 HydrophobicContact CB-CD2 3.77Å; L81-L83 HydrophobicContact CB-CG 3.96Å; L81-L83 HydrophobicContact CD1-CD2 4.47Å; L81-L83 PolarHBondContact O-N 3.17Å
82R96.1Very high97.6Very high223 Ų22355.3 Ų55.384%0.84227%0.268SS*.THydrogen-bonded Turntrans50.948.8-175.5-56.8-179.4-178.8174.2-0.4111.7Y78 E79Y78-R82 WeakPolarHBondContact O-CA 3.49Å; Y78-R82 PolarHBondContact O-N 2.96Å; E79-R82 PolarHBondContact O-N 3.4Å; E79-R82 VanDerWaalsContact O-N 3.17Å
83L96.9Very high97.7Very high8 Ų850.7 Ų50.74%0.04225%0.247CC..  trans-67142.8178.4-55.8-178.5000109.3P5 I9 Y78 L81 N85 L86P5-L83 HydrophobicContact CB-CD2 3.8Å; P5-L83 WeakPolarHBondContact O-CD2 3.37Å; I9-L83 HydrophobicContact CD1-CD1 3.93Å; Y78-L83 HydrophobicContact CD2-CB 3.75Å; Y78-L83 HydrophobicContact CE2-CB 4.28Å; Y78-L83 WeakPolarHBondContact CE2-O 3.46Å; Y78-L83 PolarHBondContact O-N 3.22Å; L81-L83 VanDerWaalsContact C-N 3.28Å; L81-L83 HydrophobicContact CB-CD2 3.77Å; L81-L83 HydrophobicContact CB-CG 3.96Å; L81-L83 HydrophobicContact CD1-CD2 4.47Å; L81-L83 PolarHBondContact O-N 3.17Å; L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 WeakPolarHBondContact CB-O 3.45Å; L83-L86 HydrophobicContact CD1-CD2 4.37Å
84P96.3Very high97.7Very high112 Ų11248.7 Ų48.773%0.72723%0.234SC*.SBendtrans-74.6-25.7176.229.9-34.6000112.8
85N97.5Very high97.7Very high58 Ų5849 Ų4931%0.3124%0.237SC..SBendtrans-165-168.5179.558.733.2000108.5L83 D87L83-N85 VanDerWaalsContact C-N 3.32Å; L83-N85 WeakPolarHBondContact CB-O 3.45Å; N85-D87 VanDerWaalsContact CG-OD2 3.27Å; N85-D87 VanDerWaalsContact ND2-CG 3.29Å; N85-D87 PolarHBondContact ND2-OD2 2.92Å; N85-D87 VanDerWaalsContact OD1-CB 3.26Å; N85-D87 WeakPolarHBondContact OD1-CB 3.43Å; N85-D87 VanDerWaalsContact OD1-CG 3.24Å; N85-D87 PolarHBondContact OD1-N 3.21Å; N85-D87 PolarHBondContact OD1-OD2 2.91Å
86L98.3Very high97.7Very high2 Ų246.7 Ų46.71%0.0123%0.226CC..SBendtrans-109.625.8176.7-55.1-176.8000113V74 Y78 L83 N88 V89 L108 L114 K115 A117V74-L86 HydrophobicContact CG1-CD1 3.81Å; V74-L86 HydrophobicContact CG1-CD2 4.06Å; Y78-L86 HydrophobicContact CD2-CD2 3.77Å; Y78-L86 HydrophobicContact CG-CD2 4.23Å; L83-L86 HydrophobicContact CD1-CD2 4.37Å; L86-N88 PolarHBondContact O-N 3.23Å; L86-N88 VanDerWaalsContact O-N 3.12Å; L86-V89 HydrophobicContact CB-CB 4.15Å; L86-V89 HydrophobicContact CB-CG2 3.97Å; L86-V89 HydrophobicContact CD2-CG2 3.95Å; L86-V89 HydrophobicContact CG-CG2 4.49Å; L86-V89 WeakPolarHBondContact O-CB 3.5Å; L86-V89 PolarHBondContact O-N 2.94Å; L86-L108 HydrophobicContact CD1-CD1 3.94Å; L86-L108 HydrophobicContact CD1-CD2 3.94Å; L86-L108 HydrophobicContact CD1-CG 4.4Å; L86-L114 HydrophobicContact CD1-CB 3.6Å; L86-L114 HydrophobicContact CD1-CD1 4.2Å; L86-L114 HydrophobicContact CD1-CG 4.46Å; L86-L114 HydrophobicContact CD2-CD1 4.45Å; L86-L114 HydrophobicContact CG-CB 4.06Å; L86-L114 HydrophobicContact CG-CD1 4.34Å; L86-K115 WeakPolarHBondContact CB-O 3.35Å; L86-A117 WeakPolarHBondContact O-CB 3.46Å; L86-A117 PolarHBondContact O-N 3.46Å
87D97.5Very high97.7Very high95 Ų9541.9 Ų41.951%0.50820%0.202SC..THydrogen-bonded Turntrans-68.2-9.5-177.9-64.5-9.1000113.2N85 A117N85-D87 VanDerWaalsContact CG-OD2 3.27Å; N85-D87 VanDerWaalsContact ND2-CG 3.29Å; N85-D87 PolarHBondContact ND2-OD2 2.92Å; N85-D87 VanDerWaalsContact OD1-CB 3.26Å; N85-D87 WeakPolarHBondContact OD1-CB 3.43Å; N85-D87 VanDerWaalsContact OD1-CG 3.24Å; N85-D87 PolarHBondContact OD1-N 3.21Å; N85-D87 PolarHBondContact OD1-OD2 2.91Å; D87-A117 VanDerWaalsContact C-CB 3.41Å; D87-A117 WeakPolarHBondContact O-CB 3.38Å
88N97.1Very high97.8Very high33 Ų3341.2 Ų41.218%0.17620%0.199CC..THydrogen-bonded Turntrans-106.66.2173.567.1-20.8000113.6P5 G7 K8 I9 L86P5-N88 PolarHBondContact O-ND2 3.12Å; G7-N88 PolarHBondContact O-ND2 3.44Å; K8-N88 WeakPolarHBondContact CA-O 3.36Å; I9-N88 PolarHBondContact N-O 3.45Å; L86-N88 PolarHBondContact O-N 3.23Å; L86-N88 VanDerWaalsContact O-N 3.12Å
89V98.7Very high97.8Very high3 Ų338.9 Ų38.92%0.01819%0.19CC..EExtended strand (participates in β ladder)trans-98124.3-178.9-179.70000110.9I9 L11 V74 L86 I91 P116 A117 R118I9-V89 HydrophobicContact CB-CG2 4.39Å; I9-V89 WeakPolarHBondContact O-CA 3.45Å; L11-V89 HydrophobicContact CD1-CG1 3.69Å; V74-V89 HydrophobicContact CG1-CG1 4.31Å; L86-V89 HydrophobicContact CB-CB 4.15Å; L86-V89 HydrophobicContact CB-CG2 3.97Å; L86-V89 HydrophobicContact CD2-CG2 3.95Å; L86-V89 HydrophobicContact CG-CG2 4.49Å; L86-V89 WeakPolarHBondContact O-CB 3.5Å; L86-V89 PolarHBondContact O-N 2.94Å; V89-I91 HydrophobicContact CG1-CG1 4.37Å; V89-P116 HydrophobicContact CG1-CB 4.39Å; V89-A117 WeakPolarHBondContact O-CB 3.23Å; V89-A117 PolarHBondContact O-N 2.96Å; V89-R118 PolarHBondContact O-N 2.82Å
90H98.9Very high97.9Very high12 Ų1233.8 Ų33.86%0.05617%0.166CC..EExtended strand (participates in β ladder)trans-124.9116.1177.7-178-175.6000110.4I9 F10 L11 I92 R118 T120 F215I9-H90 PolarHBondContact O-N 2.85Å; F10-H90 CarbonylContact C-O 3.39Å; F10-H90 VanDerWaalsContact CA-O 3.28Å; F10-H90 WeakPolarHBondContact CA-O 3.45Å; F10-H90 HydrophobicContact CD1-CB 3.78Å; F10-H90 AromaticContact CD1-ND1 3.76Å; F10-H90 HydrophobicContact CE1-CB 4.06Å; F10-H90 AromaticContact CE1-ND1 3.62Å; L11-H90 PolarHBondContact N-O 2.95Å; H90-I92 WeakPolarHBondContact NE2-CG1 3.28Å; H90-R118 WeakPolarHBondContact CA-O 3.42Å; H90-R118 HydrophobicContact CB-CB 4.37Å; H90-R118 PolarHBondContact CE1-NE 3.07Å; H90-R118 WeakPolarHBondContact NE2-CD 3.24Å; H90-R118 PolarHBondContact NE2-NE 2.78Å; H90-T120 PolarHBondContact NE2-OG1 3.02Å; H90-F215 AromaticContact CE1-CZ 3.95Å
91I98.9Very high98Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-98.5126.4176.3-43.7177.8000108.9L11 V13 V89 S101 A104 R118 I119 T120L11-I91 HydrophobicContact CB-CB 4.4Å; L11-I91 HydrophobicContact CB-CG1 4.34Å; L11-I91 HydrophobicContact CB-CG2 4.03Å; L11-I91 HydrophobicContact CD1-CG1 4.37Å; L11-I91 CarbonylContact O-C 3.51Å; V13-I91 HydrophobicContact CG2-CG2 3.97Å; V89-I91 HydrophobicContact CG1-CG1 4.37Å; I91-S101 VanDerWaalsContact CG2-OG 3.26Å; I91-S101 WeakPolarHBondContact CG2-OG 3.39Å; I91-A104 HydrophobicContact CD1-CB 4.21Å; I91-R118 PolarHBondContact N-O 3.44Å; I91-I119 HydrophobicContact CB-CG1 4.13Å; I91-I119 HydrophobicContact CD1-CG1 4.35Å; I91-I119 HydrophobicContact CG1-CG1 4.45Å; I91-I119 CarbonylContact O-C 3.15Å; I91-I119 VanDerWaalsContact O-CA 3.24Å; I91-I119 WeakPolarHBondContact O-CA 3.38Å; I91-T120 PolarHBondContact O-N 3.45Å
92I98.9Very high98.2Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-120.4112.1-179-57.4163.2000107.6F10 L11 L12 V13 M28 L32 H90 L122 F215F10-I92 HydrophobicContact CD1-CD1 4.28Å; L11-I92 PolarHBondContact O-N 2.79Å; L12-I92 HydrophobicContact CD2-CB 3.8Å; L12-I92 HydrophobicContact CD2-CD1 3.72Å; L12-I92 HydrophobicContact CD2-CG1 4.26Å; L12-I92 HydrophobicContact CD2-CG2 4.38Å; V13-I92 PolarHBondContact N-O 2.86Å; M28-I92 HydrophobicContact SD-CD1 4.28Å; M28-I92 HydrophobicContact SD-CG2 4.04Å; L32-I92 HydrophobicContact CD1-CD1 4.19Å; H90-I92 WeakPolarHBondContact NE2-CG1 3.28Å; I92-L122 HydrophobicContact CG2-CD1 3.52Å; I92-L122 HydrophobicContact CG2-CG 4.05Å; I92-F215 HydrophobicContact CD1-CE1 3.7Å; I92-F215 HydrophobicContact CD1-CZ 3.87Å; I92-F215 HydrophobicContact CG1-CE1 4.49Å; I92-F215 HydrophobicContact CG1-CZ 4.34Å
93G98.8Very high98.3Very high0 Ų016.6 Ų16.60%010%0.095CC..EExtended strand (participates in β ladder)trans-120133.6-175.900000112.7V13 A98 T120 L122V13-G93 WeakPolarHBondContact O-CA 3.46Å; G93-A98 WeakPolarHBondContact O-CB 3.17Å; G93-T120 PolarHBondContact N-O 3.12Å; G93-L122 PolarHBondContact O-N 2.77Å
94H98.7Very high98.4Very high2 Ų216.2 Ų16.21%0.0099%0.093CC..EExtended strand (participates in β ladder)trans-104.1139.7174.8174.7-102.2000111.8V13 G15 E18 W24 L96 G97 L122 H208V13-H94 PolarHBondContact O-N 2.92Å; G15-H94 WeakPolarHBondContact CA-O 3.47Å; E18-H94 IonicContact OE2-ND1 3.92Å; W24-H94 HydrophobicContact CH2-CB 4.08Å; W24-H94 HydrophobicContact CZ2-CB 3.84Å; H94-L96 PolarHBondContact O-N 2.83Å; H94-G97 VanDerWaalsContact O-CA 3.26Å; H94-G97 WeakPolarHBondContact O-CA 3.46Å; H94-G97 PolarHBondContact O-N 3.21Å; H94-L122 WeakPolarHBondContact CA-O 3.44Å; H94-L122 HydrophobicContact CB-CB 4.17Å; H94-L122 PolarHBondContact CD2-O 2.86Å; H94-H208 AromaticContact CE1-CD2 3.73Å; H94-H208 AromaticContact CE1-NE2 3.79Å; H94-H208 AromaticContact NE2-CD2 3.91Å; H94-H208 AromaticContact NE2-NE2 3.98Å; H94-H208 PolarHBondContact NE2-O 2.81Å
95S97.8Very high98.5Very high10 Ų1010.9 Ų10.97%0.076%0.058CC..THydrogen-bonded Turntrans55.9-123.8175.6-168.70000112.1G97 A98 L122 A125 H208S95-G97 PolarHBondContact O-N 3.12Å; S95-A98 WeakPolarHBondContact O-CB 3.08Å; S95-A98 PolarHBondContact O-N 2.86Å; S95-A98 VanDerWaalsContact O-N 3.12Å; S95-L122 PolarHBondContact N-O 2.75Å; S95-A125 PolarHBondContact O-N 3.29Å; S95-H208 WeakPolarHBondContact CB-NE2 3.32Å; S95-H208 PolarHBondContact OG-NE2 2.51Å
96L98.5Very high98.6Very high0 Ų012 Ų120%06%0.058CC..Hα-helixtrans-58.9-28.5171.2-70.3-172000113.4Y16 W48 Y56 A59 V60 I63 H94 A98 H99 L100 A125 F129Y16-L96 HydrophobicContact CD2-CD1 4.13Å; Y16-L96 HydrophobicContact CG-CD1 4.27Å; W48-L96 HydrophobicContact CH2-CB 4.02Å; W48-L96 HydrophobicContact CH2-CD1 3.93Å; W48-L96 HydrophobicContact CZ2-CB 4.04Å; Y56-L96 HydrophobicContact CE2-CD1 4.09Å; Y56-L96 HydrophobicContact CE2-CD2 4.24Å; Y56-L96 HydrophobicContact CE2-CG 4.31Å; A59-L96 HydrophobicContact CB-CD1 3.95Å; V60-L96 HydrophobicContact CG2-CD1 4.3Å; V60-L96 HydrophobicContact CG2-CD2 3.81Å; I63-L96 HydrophobicContact CD1-CD2 4.48Å; I63-L96 HydrophobicContact CG2-CB 4.19Å; H94-L96 PolarHBondContact O-N 2.83Å; L96-A98 PolarHBondContact O-N 3.02Å; L96-H99 PolarHBondContact O-N 2.98Å; L96-L100 PolarHBondContact O-N 2.91Å; L96-A125 HydrophobicContact CD2-CB 3.91Å; L96-A125 HydrophobicContact CG-CB 4.49Å; L96-F129 HydrophobicContact CD2-CD2 4.48Å; L96-F129 HydrophobicContact CD2-CE2 3.47Å; L96-F129 VanDerWaalsContact CD2-CE2 3.47Å; L96-F129 HydrophobicContact CD2-CZ 4Å
97G98.8Very high98.6Very high0 Ų013.9 Ų13.90%07%0.067CC..Hα-helixtrans-63.1-25.9175.100000113.3H14 H94 S95 S101H14-G97 VanDerWaalsContact O-CA 3.31Å; H14-G97 WeakPolarHBondContact O-CA 3.46Å; H14-G97 PolarHBondContact O-N 2.89Å; H94-G97 VanDerWaalsContact O-CA 3.26Å; H94-G97 WeakPolarHBondContact O-CA 3.46Å; H94-G97 PolarHBondContact O-N 3.21Å; S95-G97 PolarHBondContact O-N 3.12Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.15Å; G97-S101 PolarHBondContact O-OG 3.06Å
98A98.9Very high98.7Very high0 Ų09.4 Ų9.40%04%0.043CC..Hα-helixtrans-65.8-45.4173.700000111.4G93 S95 L96 S101 G102 P124 L138G93-A98 WeakPolarHBondContact O-CB 3.17Å; S95-A98 WeakPolarHBondContact O-CB 3.08Å; S95-A98 PolarHBondContact O-N 2.86Å; S95-A98 VanDerWaalsContact O-N 3.12Å; L96-A98 PolarHBondContact O-N 3.02Å; A98-S101 WeakPolarHBondContact O-CB 3.36Å; A98-S101 PolarHBondContact O-N 3.24Å; A98-G102 PolarHBondContact O-N 3.5Å; A98-G102 VanDerWaalsContact O-N 3.09Å; A98-P124 HydrophobicContact CB-CB 3.68Å; A98-P124 HydrophobicContact CB-CG 3.77Å; A98-L138 HydrophobicContact CB-CD2 4.21Å
99H98.9Very high98.8Very high0 Ų010.8 Ų10.80%05%0.049CC..Hα-helixtrans-70.7-35.8176.4-60.7-43.8000112.5I63 L96 S101 G102 Y103 A125 F129 L138I63-H99 HydrophobicContact CD1-CB 3.63Å; L96-H99 PolarHBondContact O-N 2.98Å; H99-S101 PolarHBondContact O-N 3.48Å; H99-G102 WeakPolarHBondContact O-CA 3.37Å; H99-G102 PolarHBondContact O-N 3.43Å; H99-G102 VanDerWaalsContact O-N 3.12Å; H99-Y103 WeakPolarHBondContact O-CD2 3.26Å; H99-Y103 PolarHBondContact O-N 2.88Å; H99-A125 PolarHBondContact NE2-O 2.85Å; H99-F129 HydrophobicContact CB-CD1 4.19Å; H99-F129 HydrophobicContact CB-CE1 3.73Å; H99-F129 HydrophobicContact CB-CZ 4.06Å; H99-F129 AromaticContact CD2-CD1 3.47Å; H99-F129 VanDerWaalsContact CD2-CD1 3.47Å; H99-F129 WeakPolarHBondContact CD2-CD1 3.31Å; H99-F129 AromaticContact CD2-CD2 3.34Å; H99-F129 WeakPolarHBondContact CD2-CD2 3.23Å; H99-F129 AromaticContact CD2-CE1 3.61Å; H99-F129 AromaticContact CD2-CE2 3.5Å; H99-F129 VanDerWaalsContact CD2-CE2 3.5Å; H99-F129 WeakPolarHBondContact CD2-CE2 3.43Å; H99-F129 AromaticContact CD2-CG 3.34Å; H99-F129 WeakPolarHBondContact CD2-CG 3.04Å; H99-F129 AromaticContact CD2-CZ 3.63Å; H99-F129 AromaticContact CG-CD1 3.64Å; H99-F129 AromaticContact CG-CE1 3.67Å; H99-F129 AromaticContact CG-CG 3.98Å; H99-F129 AromaticContact NE2-CD1 3.86Å; H99-F129 AromaticContact NE2-CD2 3.59Å; H99-F129 AromaticContact NE2-CG 3.39Å; H99-F129 WeakPolarHBondContact NE2-CG 3.45Å; H99-L138 PolarHBondContact ND1-N 2.95Å
100L98.8Very high98.7Very high0 Ų016.5 Ų16.50%08%0.075CC..Hα-helixtrans-55.2-44.1169.1-170.8165000110.9V13 W48 I63 V66 T70 L96 G102 Y103 A104V13-L100 HydrophobicContact CG1-CB 4.19Å; V13-L100 HydrophobicContact CG1-CD1 3.65Å; V13-L100 HydrophobicContact CG1-CD2 3.79Å; V13-L100 HydrophobicContact CG1-CG 4.09Å; V13-L100 HydrophobicContact CG2-CD2 4.45Å; W48-L100 HydrophobicContact CD2-CD1 4.18Å; W48-L100 HydrophobicContact CG-CD1 4.13Å; I63-L100 HydrophobicContact CB-CB 4.04Å; I63-L100 HydrophobicContact CB-CD1 4.32Å; I63-L100 HydrophobicContact CB-CG 4.33Å; I63-L100 HydrophobicContact CG2-CB 4.31Å; I63-L100 HydrophobicContact CG2-CD1 4.13Å; V66-L100 HydrophobicContact CB-CD1 3.82Å; V66-L100 HydrophobicContact CB-CG 4.26Å; V66-L100 HydrophobicContact CG1-CD1 3.5Å; V66-L100 HydrophobicContact CG1-CD2 4.35Å; V66-L100 HydrophobicContact CG1-CG 4.16Å; T70-L100 HydrophobicContact CG2-CD2 4.46Å; L96-L100 PolarHBondContact O-N 2.91Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 2.62Å; L100-Y103 PolarHBondContact O-N 2.84Å; L100-A104 PolarHBondContact O-N 3.36Å
101S98.9Very high98.7Very high0 Ų019.3 Ų19.30%09%0.09CC..Hα-helixtrans-62.4-39176.6-550000112I91 G97 A98 H99 A104 G105 I119I91-S101 VanDerWaalsContact CG2-OG 3.26Å; I91-S101 WeakPolarHBondContact CG2-OG 3.39Å; G97-S101 WeakPolarHBondContact O-CB 3.31Å; G97-S101 PolarHBondContact O-N 3.15Å; G97-S101 PolarHBondContact O-OG 3.06Å; A98-S101 WeakPolarHBondContact O-CB 3.36Å; A98-S101 PolarHBondContact O-N 3.24Å; H99-S101 PolarHBondContact O-N 3.48Å; S101-A104 WeakPolarHBondContact O-CB 3.38Å; S101-A104 PolarHBondContact O-N 3.41Å; S101-G105 PolarHBondContact O-N 3.04Å; S101-I119 WeakPolarHBondContact O-CD1 3.34Å
102G98.9Very high98.7Very high1 Ų121.9 Ų21.91%0.0110%0.101CC..Hα-helixtrans-60.4-49.2171.900000112.6A98 H99 L100 A104 G105 Y106 D142A98-G102 PolarHBondContact O-N 3.5Å; A98-G102 VanDerWaalsContact O-N 3.09Å; H99-G102 WeakPolarHBondContact O-CA 3.37Å; H99-G102 PolarHBondContact O-N 3.43Å; H99-G102 VanDerWaalsContact O-N 3.12Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 2.62Å; G102-A104 VanDerWaalsContact C-N 3.27Å; G102-A104 PolarHBondContact O-N 3.01Å; G102-G105 WeakPolarHBondContact O-CA 3.45Å; G102-G105 PolarHBondContact O-N 2.89Å; G102-Y106 PolarHBondContact O-N 2.94Å; G102-D142 WeakPolarHBondContact CA-OD2 3.13Å
103Y98.9Very high98.7Very high13 Ų1325 Ų255%0.05113%0.134CC..Hα-helixtrans-58.1-38.8173.9-67.8-53.6000112.6I63 R64 H99 L100 Y106 H107 I135 V136I63-Y103 HydrophobicContact CD1-CD2 4.29Å; I63-Y103 HydrophobicContact CD1-CE2 3.82Å; I63-Y103 HydrophobicContact CG1-CD2 4.36Å; I63-Y103 HydrophobicContact CG1-CE2 3.96Å; R64-Y103 HydrophobicContact CB-CE2 4.44Å; R64-Y103 HydrophobicContact CG-CD2 4.36Å; R64-Y103 HydrophobicContact CG-CE1 4.16Å; R64-Y103 HydrophobicContact CG-CE2 3.72Å; H99-Y103 WeakPolarHBondContact O-CD2 3.26Å; H99-Y103 PolarHBondContact O-N 2.88Å; L100-Y103 PolarHBondContact O-N 2.84Å; Y103-Y106 PolarHBondContact O-N 3.27Å; Y103-H107 WeakPolarHBondContact O-CB 3.45Å; Y103-H107 PolarHBondContact O-CD2 3.19Å; Y103-H107 VanDerWaalsContact O-CD2 3.22Å; Y103-H107 PolarHBondContact O-N 3.19Å; Y103-I135 VanDerWaalsContact CE1-O 3.31Å; Y103-I135 WeakPolarHBondContact CE1-O 3.44Å; Y103-V136 VanDerWaalsContact CZ-O 3.31Å; Y103-V136 PolarHBondContact OH-O 2.99Å
104A98.9Very high98.7Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-63-44.5174.600000111.4G67 T70 A71 I91 L100 S101 G102 H107 L108G67-A104 WeakPolarHBondContact O-CA 3.29Å; T70-A104 HydrophobicContact CG2-CB 3.93Å; A71-A104 WeakPolarHBondContact CB-O 3.38Å; I91-A104 HydrophobicContact CD1-CB 4.21Å; L100-A104 PolarHBondContact O-N 3.36Å; S101-A104 WeakPolarHBondContact O-CB 3.38Å; S101-A104 PolarHBondContact O-N 3.41Å; G102-A104 VanDerWaalsContact C-N 3.27Å; G102-A104 PolarHBondContact O-N 3.01Å; A104-H107 PolarHBondContact O-N 3.31Å; A104-L108 WeakPolarHBondContact O-CB 3.19Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.07Å
105G98.8Very high98.7Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-60.8-41.1174.500000113.6S101 G102 Q109 D142S101-G105 PolarHBondContact O-N 3.04Å; G102-G105 WeakPolarHBondContact O-CA 3.45Å; G102-G105 PolarHBondContact O-N 2.89Å; G105-Q109 WeakPolarHBondContact O-CG 3.16Å; G105-Q109 PolarHBondContact O-N 3.02Å; G105-Q109 PolarHBondContact O-NE2 2.85Å; G105-Q109 VanDerWaalsContact O-NE2 3.13Å; G105-D142 VanDerWaalsContact CA-O 3.24Å; G105-D142 WeakPolarHBondContact CA-O 3.5Å
106Y98.7Very high98.7Very high80 Ų8028.1 Ų28.131%0.31415%0.147SC..Hα-helixtrans-61.2-52.5173.9173.2-90.3000111.7G102 Y103 L108 Q109 H110 I135G102-Y106 PolarHBondContact O-N 2.94Å; Y103-Y106 PolarHBondContact O-N 3.27Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 3.12Å; Y106-Q109 PolarHBondContact O-N 3.38Å; Y106-Q109 VanDerWaalsContact O-N 3.17Å; Y106-H110 HydrophobicContact CD1-CB 4.44Å; Y106-H110 HydrophobicContact CE1-CB 4.01Å; Y106-H110 WeakPolarHBondContact O-CB 3.5Å; Y106-H110 PolarHBondContact O-N 2.99Å; Y106-H110 PolarHBondContact OH-CD2 3.21Å; Y106-I135 HydrophobicContact CE2-CD1 4.29Å; Y106-I135 HydrophobicContact CE2-CG1 4.26Å
107H98.8Very high98.7Very high43 Ų4328.4 Ų28.420%0.19915%0.149CC..Hα-helixtrans-67.2-33.4-177.9-81.9-72.4000112.6A71 Y103 A104 Q109 D111A71-H107 HydrophobicContact CB-CB 3.52Å; Y103-H107 WeakPolarHBondContact O-CB 3.45Å; Y103-H107 PolarHBondContact O-CD2 3.19Å; Y103-H107 VanDerWaalsContact O-CD2 3.22Å; Y103-H107 PolarHBondContact O-N 3.19Å; A104-H107 PolarHBondContact O-N 3.31Å; H107-Q109 VanDerWaalsContact C-N 3.3Å; H107-Q109 PolarHBondContact O-N 3.13Å; H107-D111 IonicContact CE1-OD2 3.77Å; H107-D111 IonicContact CG-OD2 3.95Å; H107-D111 IonicContact ND1-OD1 3.85Å; H107-D111 IonicContact ND1-OD2 3.07Å; H107-D111 PolarHBondContact ND1-OD2 2.63Å; H107-D111 VanDerWaalsContact O-CB 3.26Å; H107-D111 WeakPolarHBondContact O-CB 3.27Å; H107-D111 PolarHBondContact O-N 2.84Å
108L98.9Very high98.7Very high0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-57.2-45.1171.1-78.5169.9000111.9A71 V74 L86 A104 Y106 F112 G113 L114 P116A71-L108 HydrophobicContact CB-CD2 4.27Å; A71-L108 HydrophobicContact CB-CG 3.91Å; A71-L108 WeakPolarHBondContact O-CD2 3.46Å; V74-L108 HydrophobicContact CB-CD1 4.18Å; V74-L108 HydrophobicContact CB-CD2 3.96Å; V74-L108 HydrophobicContact CG1-CD1 3.86Å; V74-L108 HydrophobicContact CG1-CD2 3.81Å; V74-L108 HydrophobicContact CG1-CG 4.47Å; L86-L108 HydrophobicContact CD1-CD1 3.94Å; L86-L108 HydrophobicContact CD1-CD2 3.94Å; L86-L108 HydrophobicContact CD1-CG 4.4Å; A104-L108 WeakPolarHBondContact O-CB 3.19Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.43Å; A104-L108 PolarHBondContact O-N 3.07Å; Y106-L108 VanDerWaalsContact C-N 3.34Å; Y106-L108 PolarHBondContact O-N 3.12Å; L108-F112 HydrophobicContact CD2-CD2 4.24Å; L108-F112 CarbonylContact O-C 3.52Å; L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 PolarHBondContact O-N 2.91Å; L108-G113 PolarHBondContact O-N 3.13Å; L108-G113 VanDerWaalsContact O-N 3.15Å; L108-L114 CarbonylContact C-O 3.48Å; L108-L114 WeakPolarHBondContact CB-O 3.48Å; L108-L114 PolarHBondContact O-N 2.98Å; L108-L114 VanDerWaalsContact O-O 3.09Å; L108-P116 HydrophobicContact CD1-CB 4.4Å; L108-P116 HydrophobicContact CD1-CG 4.14Å
109Q98.6Very high98.7Very high63 Ų6328.7 Ų28.729%0.29415%0.15SC..Hα-helixtrans-74.2-47.3-179.2-70.6174.487.600111.5G105 Y106 H107 G113 L114 K115 T141 D142G105-Q109 WeakPolarHBondContact O-CG 3.16Å; G105-Q109 PolarHBondContact O-N 3.02Å; G105-Q109 PolarHBondContact O-NE2 2.85Å; G105-Q109 VanDerWaalsContact O-NE2 3.13Å; Y106-Q109 PolarHBondContact O-N 3.38Å; Y106-Q109 VanDerWaalsContact O-N 3.17Å; H107-Q109 VanDerWaalsContact C-N 3.3Å; H107-Q109 PolarHBondContact O-N 3.13Å; Q109-G113 VanDerWaalsContact O-CA 3.27Å; Q109-G113 WeakPolarHBondContact O-CA 2.96Å; Q109-G113 PolarHBondContact O-N 2.03Å; Q109-G113 VanDerWaalsContact O-N 3.07Å; Q109-L114 WeakPolarHBondContact CA-O 3.01Å; Q109-L114 WeakPolarHBondContact CG-O 3.48Å; Q109-L114 PolarHBondContact N-O 2.72Å; Q109-K115 HydrophobicContact CG-CB 3.95Å; Q109-K115 HydrophobicContact CG-CD 4.42Å; Q109-K115 HydrophobicContact CG-CG 4.09Å; Q109-T141 PolarHBondContact NE2-O 2.94Å; Q109-T141 PolarHBondContact OE1-O 2.03Å; Q109-D142 PolarHBondContact NE2-O 3.39Å
110H98.2Very high98.7Very high122 Ų12228.7 Ų28.757%0.56515%0.15SC*.Hα-helixtrans-72.4-44.7-173.6-178.8-85.6000112.9Y106Y106-H110 HydrophobicContact CD1-CB 4.44Å; Y106-H110 HydrophobicContact CE1-CB 4.01Å; Y106-H110 WeakPolarHBondContact O-CB 3.5Å; Y106-H110 PolarHBondContact O-N 2.99Å; Y106-H110 PolarHBondContact OH-CD2 3.21Å
111D98.5Very high98.7Very high71 Ų7128.7 Ų28.738%0.3815%0.15SC..Hα-helixtrans-91.7-28.8-172.3-57-24.7000112.2H107H107-D111 IonicContact CE1-OD2 3.77Å; H107-D111 IonicContact CG-OD2 3.95Å; H107-D111 IonicContact ND1-OD1 3.85Å; H107-D111 IonicContact ND1-OD2 3.07Å; H107-D111 PolarHBondContact ND1-OD2 2.63Å; H107-D111 VanDerWaalsContact O-CB 3.26Å; H107-D111 WeakPolarHBondContact O-CB 3.27Å; H107-D111 PolarHBondContact O-N 2.84Å
112F98.4Very high98.7Very high54 Ų5428.7 Ų28.724%0.23715%0.15CC..Hα-helixtrans-123.1-6.6-172.9-50.9-65.8000114.6A71 H72 H75 L108 L114A71-F112 HydrophobicContact CB-CE2 4.5Å; H72-F112 AromaticContact CD2-CZ 3.71Å; H72-F112 AromaticContact CE1-CZ 3.76Å; H72-F112 AromaticContact CG-CZ 3.9Å; H72-F112 AromaticContact ND1-CZ 3.94Å; H72-F112 AromaticContact NE2-CZ 3.64Å; H75-F112 HydrophobicContact CB-CD1 4.28Å; H75-F112 HydrophobicContact CB-CD2 3.89Å; H75-F112 HydrophobicContact CB-CE1 4.26Å; H75-F112 HydrophobicContact CB-CE2 3.87Å; H75-F112 HydrophobicContact CB-CG 4.1Å; H75-F112 HydrophobicContact CB-CZ 4.06Å; H75-F112 AromaticContact CD2-CD1 3.34Å; H75-F112 WeakPolarHBondContact CD2-CD1 3.32Å; H75-F112 AromaticContact CD2-CE1 3.96Å; H75-F112 AromaticContact CD2-CG 3.44Å; H75-F112 VanDerWaalsContact CD2-CG 3.44Å; H75-F112 WeakPolarHBondContact CD2-CG 3.26Å; H75-F112 AromaticContact CE1-CD1 3.77Å; H75-F112 AromaticContact CE1-CE1 3.88Å; H75-F112 AromaticContact CG-CD1 3.56Å; H75-F112 AromaticContact CG-CE1 3.7Å; H75-F112 AromaticContact CG-CG 3.74Å; H75-F112 AromaticContact ND1-CD1 3.82Å; H75-F112 AromaticContact ND1-CE1 3.65Å; H75-F112 AromaticContact NE2-CD1 3.48Å; H75-F112 WeakPolarHBondContact NE2-CD1 3.47Å; L108-F112 HydrophobicContact CD2-CD2 4.24Å; L108-F112 CarbonylContact O-C 3.52Å; L108-F112 WeakPolarHBondContact O-CB 3.24Å; L108-F112 PolarHBondContact O-N 2.91Å; F112-L114 HydrophobicContact CB-CD1 4.11Å; F112-L114 HydrophobicContact CB-CG 4.17Å; F112-L114 PolarHBondContact O-N 2.83Å
113G98.4Very high98.7Very high66 Ų6628.6 Ų28.668%0.6815%0.15SC*.SBendtrans65.922.6-176.800000113.8L108 Q109L108-G113 PolarHBondContact O-N 3.13Å; L108-G113 VanDerWaalsContact O-N 3.15Å; Q109-G113 VanDerWaalsContact O-CA 3.27Å; Q109-G113 WeakPolarHBondContact O-CA 2.96Å; Q109-G113 PolarHBondContact O-N 2.03Å; Q109-G113 VanDerWaalsContact O-N 3.07Å
114L98.6Very high98.7Very high21 Ų2128 Ų2811%0.1115%0.147CC..  trans-111144.2-178-63.9174.4000110.5Y78 L86 L108 Q109 F112Y78-L114 HydrophobicContact CD1-CD1 3.79Å; Y78-L114 HydrophobicContact CD2-CD1 3.95Å; Y78-L114 HydrophobicContact CD2-CD2 4.23Å; Y78-L114 HydrophobicContact CE1-CD1 4.07Å; Y78-L114 HydrophobicContact CE1-CD2 4.41Å; Y78-L114 HydrophobicContact CE2-CD1 4.23Å; Y78-L114 HydrophobicContact CE2-CD2 3.78Å; Y78-L114 HydrophobicContact CG-CD1 3.74Å; L86-L114 HydrophobicContact CD1-CB 3.6Å; L86-L114 HydrophobicContact CD1-CD1 4.2Å; L86-L114 HydrophobicContact CD1-CG 4.46Å; L86-L114 HydrophobicContact CD2-CD1 4.45Å; L86-L114 HydrophobicContact CG-CB 4.06Å; L86-L114 HydrophobicContact CG-CD1 4.34Å; L108-L114 CarbonylContact C-O 3.48Å; L108-L114 WeakPolarHBondContact CB-O 3.48Å; L108-L114 PolarHBondContact O-N 2.98Å; L108-L114 VanDerWaalsContact O-O 3.09Å; Q109-L114 WeakPolarHBondContact CA-O 3.01Å; Q109-L114 WeakPolarHBondContact CG-O 3.48Å; Q109-L114 PolarHBondContact N-O 2.72Å; F112-L114 HydrophobicContact CB-CD1 4.11Å; F112-L114 HydrophobicContact CB-CG 4.17Å; F112-L114 PolarHBondContact O-N 2.83Å
115K98.6Very high98.6Very high57 Ų5728.1 Ų28.125%0.24815%0.148CC..  trans-127.2121.8178.8-172.5165.6-174.8150.10110.2L86 Q109 T141 A143 H144L86-K115 WeakPolarHBondContact CB-O 3.35Å; Q109-K115 HydrophobicContact CG-CB 3.95Å; Q109-K115 HydrophobicContact CG-CD 4.42Å; Q109-K115 HydrophobicContact CG-CG 4.09Å; K115-T141 PolarHBondContact NZ-O 3.09Å; K115-A143 WeakPolarHBondContact CE-O 3.47Å; K115-H144 PolarHBondContact O-CD2 2.94Å
116P98.6Very high98.5Very high0 Ų028.7 Ų28.70%015%0.153CC..  trans-67.9150.1-18028.2-33.3000111V89 L108 R118 I119 A143 H144V89-P116 HydrophobicContact CG1-CB 4.39Å; L108-P116 HydrophobicContact CD1-CB 4.4Å; L108-P116 HydrophobicContact CD1-CG 4.14Å; P116-R118 VanDerWaalsContact C-N 3.32Å; P116-R118 PolarHBondContact O-N 3.24Å; P116-I119 HydrophobicContact CG-CD1 4.42Å; P116-A143 HydrophobicContact CG-CB 3.99Å; P116-A143 WeakPolarHBondContact O-CA 3.11Å; P116-A143 WeakPolarHBondContact O-CB 3.1Å; P116-H144 PolarHBondContact O-CD2 2.83Å; P116-H144 PolarHBondContact O-N 3.3Å
117A98.4Very high98.2Very high6 Ų626.4 Ų26.45%0.0515%0.148CC..SBendtrans-58.5-46.1178.900000111.9L86 D87 V89 H144 F145L86-A117 WeakPolarHBondContact O-CB 3.46Å; L86-A117 PolarHBondContact O-N 3.46Å; D87-A117 VanDerWaalsContact C-CB 3.41Å; D87-A117 WeakPolarHBondContact O-CB 3.38Å; V89-A117 WeakPolarHBondContact O-CB 3.23Å; V89-A117 PolarHBondContact O-N 2.96Å; A117-H144 WeakPolarHBondContact O-CB 3.47Å; A117-F145 PolarHBondContact O-N 2.95Å
118R98.8Very high98.1Very high5 Ų529 Ų292%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-148.8139.6-171.1-173.9173.7173.9-169.4-9.9113.4V89 H90 I91 P116 T120 F145 D147 G255 Y256 S258V89-R118 PolarHBondContact O-N 2.82Å; H90-R118 WeakPolarHBondContact CA-O 3.42Å; H90-R118 HydrophobicContact CB-CB 4.37Å; H90-R118 PolarHBondContact CE1-NE 3.07Å; H90-R118 WeakPolarHBondContact NE2-CD 3.24Å; H90-R118 PolarHBondContact NE2-NE 2.78Å; I91-R118 PolarHBondContact N-O 3.44Å; P116-R118 VanDerWaalsContact C-N 3.32Å; P116-R118 PolarHBondContact O-N 3.24Å; R118-T120 PolarHBondContact NE-OG1 2.97Å; R118-T120 PolarHBondContact NH2-OG1 2.95Å; R118-F145 CarbonylContact C-O 3.35Å; R118-F145 VanDerWaalsContact CA-O 3.23Å; R118-F145 WeakPolarHBondContact CA-O 3.29Å; R118-F145 HydrophobicContact CG-CD1 3.88Å; R118-D147 IonicContact CZ-OD1 3.71Å; R118-D147 IonicContact CZ-OD2 3.6Å; R118-D147 IonicContact NE-OD1 3.44Å; R118-D147 PolarHBondContact NE-OD1 2.96Å; R118-D147 IonicContact NE-OD2 3.34Å; R118-D147 VanDerWaalsContact NH2-CG 3.3Å; R118-D147 IonicContact NH2-OD1 3.87Å; R118-D147 PolarHBondContact NH2-OD1 2.83Å; R118-D147 IonicContact NH2-OD2 3.32Å; R118-D147 PolarHBondContact NH2-OD2 3.43Å; R118-G255 PolarHBondContact NH2-O 3.25Å; R118-Y256 PolarHBondContact NH1-O 2.76Å; R118-S258 PolarHBondContact NH2-OG 3.37Å
119I98.9Very high98Very high0 Ų029 Ų290%016%0.163CC..EExtended strand (participates in β ladder)trans-120128.4161.2-66.4163.7000109I91 S101 P116 L138 D142 A143 F145 V146 D147I91-I119 HydrophobicContact CB-CG1 4.13Å; I91-I119 HydrophobicContact CD1-CG1 4.35Å; I91-I119 HydrophobicContact CG1-CG1 4.45Å; I91-I119 CarbonylContact O-C 3.15Å; I91-I119 VanDerWaalsContact O-CA 3.24Å; I91-I119 WeakPolarHBondContact O-CA 3.38Å; S101-I119 WeakPolarHBondContact O-CD1 3.34Å; P116-I119 HydrophobicContact CG-CD1 4.42Å; I119-L138 HydrophobicContact CB-CD1 4.46Å; I119-L138 HydrophobicContact CD1-CD1 4.43Å; I119-L138 HydrophobicContact CG2-CD1 3.68Å; I119-L138 HydrophobicContact CG2-CD2 4.28Å; I119-D142 HydrophobicContact CD1-CB 3.66Å; I119-A143 HydrophobicContact CB-CB 4.14Å; I119-A143 HydrophobicContact CD1-CB 3.79Å; I119-A143 HydrophobicContact CG1-CB 3.75Å; I119-F145 PolarHBondContact N-O 2.8Å; I119-V146 HydrophobicContact CB-CG2 4.33Å; I119-V146 VanDerWaalsContact O-CA 3.24Å; I119-V146 WeakPolarHBondContact O-CA 3.49Å; I119-D147 PolarHBondContact O-N 3.07Å; I119-D147 VanDerWaalsContact O-N 3.13Å
120T98.9Very high97.9Very high0 Ų029 Ų290%017%0.167CC..EExtended strand (participates in β ladder)trans-107123.5168.9-58.40000110.2H90 I91 G93 R118 L122 D147 F215H90-T120 PolarHBondContact NE2-OG1 3.02Å; I91-T120 PolarHBondContact O-N 3.45Å; G93-T120 PolarHBondContact N-O 3.12Å; R118-T120 PolarHBondContact NE-OG1 2.97Å; R118-T120 PolarHBondContact NH2-OG1 2.95Å; T120-L122 HydrophobicContact CG2-CD2 3.75Å; T120-L122 HydrophobicContact CG2-CG 4.26Å; T120-D147 CarbonylContact C-O 3.52Å; T120-D147 VanDerWaalsContact CA-O 3.27Å; T120-D147 WeakPolarHBondContact CA-O 3.31Å; T120-D147 WeakPolarHBondContact CB-OD1 3.26Å; T120-D147 PolarHBondContact OG1-OD1 3.21Å; T120-F215 HydrophobicContact CG2-CD2 3.86Å; T120-F215 HydrophobicContact CG2-CE2 3.66Å
121G98.8Very high97.7Very high0 Ų029.8 Ų29.80%018%0.176CC..EExtended strand (participates in β ladder)trans-94.7111.517300000111.3D147 I148 V149G121-D147 PolarHBondContact N-O 3.32Å; G121-I148 WeakPolarHBondContact O-CA 3.43Å; G121-V149 PolarHBondContact O-N 3.13Å
122L98.9Very high97.6Very high0 Ų028.2 Ų28.20%017%0.169CC..EExtended strand (participates in β ladder)trans-95.199.9177.2-58.5177.5000109.1M28 I92 G93 H94 S95 T120 V149 Q212 F215M28-L122 HydrophobicContact CE-CD1 3.91Å; I92-L122 HydrophobicContact CG2-CD1 3.52Å; I92-L122 HydrophobicContact CG2-CG 4.05Å; G93-L122 PolarHBondContact O-N 2.77Å; H94-L122 WeakPolarHBondContact CA-O 3.44Å; H94-L122 HydrophobicContact CB-CB 4.17Å; H94-L122 PolarHBondContact CD2-O 2.86Å; S95-L122 PolarHBondContact N-O 2.75Å; T120-L122 HydrophobicContact CG2-CD2 3.75Å; T120-L122 HydrophobicContact CG2-CG 4.26Å; L122-V149 HydrophobicContact CD2-CB 4.31Å; L122-V149 HydrophobicContact CD2-CG2 4.28Å; L122-Q212 HydrophobicContact CD1-CB 4.3Å; L122-F215 HydrophobicContact CD1-CB 4.33Å; L122-F215 HydrophobicContact CD2-CB 3.69Å; L122-F215 HydrophobicContact CD2-CD2 3.85Å; L122-F215 HydrophobicContact CD2-CG 3.93Å
123D98.6Very high97.6Very high0 Ų030.5 Ų30.50%018%0.183CC..SBendtrans44.266-175.6-155.143.4000113.2V149 T151 D152 H208 S211D123-V149 VanDerWaalsContact CA-O 3.29Å; D123-V149 WeakPolarHBondContact CA-O 3.49Å; D123-V149 PolarHBondContact N-O 3.07Å; D123-T151 WeakPolarHBondContact CB-OG1 3.36Å; D123-T151 PolarHBondContact OD1-N 2.71Å; D123-T151 PolarHBondContact OD2-OG1 2.81Å; D123-D152 PolarHBondContact OD1-N 3.4Å; D123-D152 WeakPolarHBondContact OD2-CB 3.36Å; D123-D152 PolarHBondContact OD2-N 2.96Å; D123-H208 PolarHBondContact O-CE1 3.09Å; D123-H208 WeakPolarHBondContact OD2-CA 3.47Å; D123-H208 IonicContact OD2-CE1 2.76Å; D123-H208 IonicContact OD2-CG 2.83Å; D123-H208 IonicContact OD2-ND1 2.59Å; D123-H208 PolarHBondContact OD2-ND1 2.78Å; D123-S211 WeakPolarHBondContact CB-OG 3.4Å
124P98.8Very high97.5Very high0 Ų029.9 Ų29.90%017%0.167CC..  trans-56.3142-176.2-21.333000111.6A98 L138 I148 G162 I163 L167A98-P124 HydrophobicContact CB-CB 3.68Å; A98-P124 HydrophobicContact CB-CG 3.77Å; P124-L138 HydrophobicContact CG-CD2 4.46Å; P124-I148 HydrophobicContact CG-CD1 4.42Å; P124-I148 HydrophobicContact CG-CG2 3.8Å; P124-G162 CarbonylContact O-C 3.53Å; P124-G162 WeakPolarHBondContact O-CA 3.34Å; P124-I163 HydrophobicContact CB-CG2 3.87Å; P124-I163 HydrophobicContact CG-CG2 4.35Å; P124-I163 WeakPolarHBondContact O-CG2 3.14Å; P124-I163 PolarHBondContact O-N 3.49Å; P124-L167 HydrophobicContact CB-CD1 4.08Å; P124-L167 HydrophobicContact CG-CD1 4.11Å
125A97.5Very high97.4Very high2 Ų233.3 Ų33.32%0.01719%0.185CC..BIsolated β-bridgetrans-68.8135-172.500000113S95 L96 H99 F129 L161S95-A125 PolarHBondContact O-N 3.29Å; L96-A125 HydrophobicContact CD2-CB 3.91Å; L96-A125 HydrophobicContact CG-CB 4.49Å; H99-A125 PolarHBondContact NE2-O 2.85Å; A125-F129 WeakPolarHBondContact O-CD2 3.24Å; A125-L161 WeakPolarHBondContact CA-O 3.32Å
126A96.4Very high97.3Very high13 Ų1332.9 Ų32.911%0.10719%0.187CC..  trans-76-48.9177.600000114.4L128 F129 T130 L161 G162 I163A126-L128 PolarHBondContact O-N 3.5Å; A126-F129 PolarHBondContact O-N 2.81Å; A126-T130 WeakPolarHBondContact CB-OG1 3.34Å; A126-T130 PolarHBondContact O-N 2.88Å; A126-T130 PolarHBondContact O-OG1 2.79Å; A126-T130 VanDerWaalsContact O-OG1 3.06Å; A126-L161 PolarHBondContact N-O 3.43Å; A126-G162 WeakPolarHBondContact CB-O 3.46Å; A126-I163 HydrophobicContact CB-CB 4.16Å; A126-I163 HydrophobicContact CB-CG1 4.49Å
127P93.5Very high97.3Very high32 Ų3234 Ų3421%0.20819%0.191CC..THydrogen-bonded Turntrans-62.6127.4-168-23.735000112.3Y56 F129 L156Y56-P127 HydrophobicContact CE1-CB 3.77Å; Y56-P127 PolarHBondContact OH-O 2.78Å; P127-F129 VanDerWaalsContact O-CD2 3.31Å; P127-F129 WeakPolarHBondContact O-CD2 3.47Å; P127-F129 PolarHBondContact O-N 2.93Å; P127-L156 HydrophobicContact CG-CD1 3.98Å; P127-L156 HydrophobicContact CG-CD2 4.18Å
128L95.3Very high97.3Very high97 Ų9733.7 Ų33.751%0.50819%0.189SC..THydrogen-bonded Turntrans70.64.9-175.5-49.2175.5000115.9Y56 V57 V60 A126 T132Y56-L128 HydrophobicContact CD1-CD1 4.32Å; Y56-L128 HydrophobicContact CE1-CD1 4.27Å; V57-L128 HydrophobicContact CG1-CD1 4.46Å; V57-L128 HydrophobicContact CG2-CD1 4.2Å; V60-L128 HydrophobicContact CB-CD1 4.24Å; V60-L128 HydrophobicContact CG1-CB 4.21Å; V60-L128 HydrophobicContact CG1-CD1 4.11Å; V60-L128 HydrophobicContact CG2-CD1 4.13Å; A126-L128 PolarHBondContact O-N 3.5Å; L128-T132 WeakPolarHBondContact O-CG2 3.39Å
129F97.9Very high97.3Very high0 Ų034.4 Ų34.40%019%0.193CC..THydrogen-bonded Turntrans-120.6-25.1173.6-60.8-82.6000113.6V60 I63 L96 H99 A125 A126 P127 D131 T132 V136 R137 I163V60-F129 HydrophobicContact CB-CZ 4.44Å; V60-F129 HydrophobicContact CG1-CE2 4.08Å; V60-F129 HydrophobicContact CG1-CZ 3.74Å; V60-F129 HydrophobicContact CG2-CE2 3.87Å; V60-F129 HydrophobicContact CG2-CZ 4.2Å; I63-F129 HydrophobicContact CD1-CE1 4.13Å; I63-F129 HydrophobicContact CD1-CZ 3.63Å; L96-F129 HydrophobicContact CD2-CD2 4.48Å; L96-F129 HydrophobicContact CD2-CE2 3.47Å; L96-F129 VanDerWaalsContact CD2-CE2 3.47Å; L96-F129 HydrophobicContact CD2-CZ 4Å; H99-F129 HydrophobicContact CB-CD1 4.19Å; H99-F129 HydrophobicContact CB-CE1 3.73Å; H99-F129 HydrophobicContact CB-CZ 4.06Å; H99-F129 AromaticContact CD2-CD1 3.47Å; H99-F129 VanDerWaalsContact CD2-CD1 3.47Å; H99-F129 WeakPolarHBondContact CD2-CD1 3.31Å; H99-F129 AromaticContact CD2-CD2 3.34Å; H99-F129 WeakPolarHBondContact CD2-CD2 3.23Å; H99-F129 AromaticContact CD2-CE1 3.61Å; H99-F129 AromaticContact CD2-CE2 3.5Å; H99-F129 VanDerWaalsContact CD2-CE2 3.5Å; H99-F129 WeakPolarHBondContact CD2-CE2 3.43Å; H99-F129 AromaticContact CD2-CG 3.34Å; H99-F129 WeakPolarHBondContact CD2-CG 3.04Å; H99-F129 AromaticContact CD2-CZ 3.63Å; H99-F129 AromaticContact CG-CD1 3.64Å; H99-F129 AromaticContact CG-CE1 3.67Å; H99-F129 AromaticContact CG-CG 3.98Å; H99-F129 AromaticContact NE2-CD1 3.86Å; H99-F129 AromaticContact NE2-CD2 3.59Å; H99-F129 AromaticContact NE2-CG 3.39Å; H99-F129 WeakPolarHBondContact NE2-CG 3.45Å; A125-F129 WeakPolarHBondContact O-CD2 3.24Å; A126-F129 PolarHBondContact O-N 2.81Å; P127-F129 VanDerWaalsContact O-CD2 3.31Å; P127-F129 WeakPolarHBondContact O-CD2 3.47Å; P127-F129 PolarHBondContact O-N 2.93Å; F129-D131 PolarHBondContact O-N 3.36Å; F129-T132 PolarHBondContact O-N 2.99Å; F129-T132 PolarHBondContact O-OG1 3.38Å; F129-V136 VanDerWaalsContact CD1-O 3.23Å; F129-V136 WeakPolarHBondContact CD1-O 3.28Å; F129-V136 VanDerWaalsContact CE1-O 3.24Å; F129-V136 WeakPolarHBondContact CE1-O 3.35Å; F129-R137 HydrophobicContact CB-CB 4.24Å; F129-R137 HydrophobicContact CD1-CB 3.94Å; F129-I163 HydrophobicContact CB-CD1 4.36Å
130T95.2Very high97.2Very high62 Ų6236.2 Ų36.238%0.3820%0.201SC..THydrogen-bonded Turntrans-58.8134174.2-54.40000111A126 T132 M165A126-T130 WeakPolarHBondContact CB-OG1 3.34Å; A126-T130 PolarHBondContact O-N 2.88Å; A126-T130 PolarHBondContact O-OG1 2.79Å; A126-T130 VanDerWaalsContact O-OG1 3.06Å; T130-T132 PolarHBondContact O-N 2.84Å; T130-T132 VanDerWaalsContact O-N 3.12Å; T130-M165 HydrophobicContact CG2-SD 4.09Å
131D95Very high97.1Very high139 Ų13939.7 Ų39.774%0.74322%0.222SC*.THydrogen-bonded Turntrans5621.5179.8-55.6-40.1000114.6F129 M165F129-D131 PolarHBondContact O-N 3.36Å; D131-M165 PolarHBondContact N-SD 2.88Å
132T96.9Very high97.1Very high38 Ų3840 Ų4023%0.23322%0.224CC..  trans-86.2159.8171.367.70000111.6L128 F129 T130 V136 R137L128-T132 WeakPolarHBondContact O-CG2 3.39Å; F129-T132 PolarHBondContact O-N 2.99Å; F129-T132 PolarHBondContact O-OG1 3.38Å; T130-T132 PolarHBondContact O-N 2.84Å; T130-T132 VanDerWaalsContact O-N 3.12Å; T132-V136 HydrophobicContact CG2-CG1 4.32Å; T132-R137 PolarHBondContact O-NE 2.99Å; T132-R137 VanDerWaalsContact O-NE 3.12Å
133D97.1Very high97.1Very high102 Ų10240 Ų4055%0.54522%0.224SC..  trans-55.4141.2171.9-170.7-75.9000110.6I135 V136D133-I135 HydrophobicContact CB-CG2 4.15Å; D133-I135 PolarHBondContact O-N 3.41Å; D133-I135 WeakPolarHBondContact OD1-CB 3.44Å; D133-I135 VanDerWaalsContact OD1-CG2 3.22Å; D133-I135 WeakPolarHBondContact OD1-CG2 3.47Å; D133-I135 PolarHBondContact OD1-N 3.34Å; D133-V136 WeakPolarHBondContact O-CB 3.33Å; D133-V136 PolarHBondContact O-N 3.12Å
134P95.9Very high97Very high53 Ų5344.8 Ų44.834%0.34425%0.246SC..G310 helixtrans-45.1-35.7176-31.336.1000114.5V136 R137 D139P134-V136 PolarHBondContact O-N 3.44Å; P134-R137 PolarHBondContact O-N 2.87Å; P134-R137 VanDerWaalsContact O-N 3.15Å; P134-D139 HydrophobicContact CB-CB 4.04Å
135I96.8Very high97Very high94 Ų9445 Ų4548%0.48225%0.246SC..G310 helixtrans-62.1-17.8178.7-158.3171.2000113.9Y103 Y106 D133Y103-I135 VanDerWaalsContact CE1-O 3.31Å; Y103-I135 WeakPolarHBondContact CE1-O 3.44Å; Y106-I135 HydrophobicContact CE2-CD1 4.29Å; Y106-I135 HydrophobicContact CE2-CG1 4.26Å; D133-I135 HydrophobicContact CB-CG2 4.15Å; D133-I135 PolarHBondContact O-N 3.41Å; D133-I135 WeakPolarHBondContact OD1-CB 3.44Å; D133-I135 VanDerWaalsContact OD1-CG2 3.22Å; D133-I135 WeakPolarHBondContact OD1-CG2 3.47Å; D133-I135 PolarHBondContact OD1-N 3.34Å
136V97.6Very high97.1Very high47 Ų4744.9 Ų44.929%0.28525%0.246SC..G310 helixtrans-96.1-13-177.3-177.10000111.9Y103 F129 T132 D133 P134Y103-V136 VanDerWaalsContact CZ-O 3.31Å; Y103-V136 PolarHBondContact OH-O 2.99Å; F129-V136 VanDerWaalsContact CD1-O 3.23Å; F129-V136 WeakPolarHBondContact CD1-O 3.28Å; F129-V136 VanDerWaalsContact CE1-O 3.24Å; F129-V136 WeakPolarHBondContact CE1-O 3.35Å; T132-V136 HydrophobicContact CG2-CG1 4.32Å; D133-V136 WeakPolarHBondContact O-CB 3.33Å; D133-V136 PolarHBondContact O-N 3.12Å; P134-V136 PolarHBondContact O-N 3.44Å
137R98.2Very high97.2Very high24 Ų2444.2 Ų44.29%0.09124%0.241CC..SBendtrans-136.1-177-171.858.2172.5174.571.8-1.2111F129 T132 P134 D139F129-R137 HydrophobicContact CB-CB 4.24Å; F129-R137 HydrophobicContact CD1-CB 3.94Å; T132-R137 PolarHBondContact O-NE 2.99Å; T132-R137 VanDerWaalsContact O-NE 3.12Å; P134-R137 PolarHBondContact O-N 2.87Å; P134-R137 VanDerWaalsContact O-N 3.15Å; R137-D139 IonicContact CZ-OD2 3.52Å; R137-D139 IonicContact NH1-OD2 2.67Å; R137-D139 PolarHBondContact NH1-OD2 3.28Å; R137-D139 IonicContact NH2-OD2 3.99Å
138L98.7Very high97.4Very high0 Ų042.7 Ų42.70%023%0.231CC..  trans-73.9137.7169.1175.162.4000107.9A98 H99 I119 P124 D142 V146 I148 L167A98-L138 HydrophobicContact CB-CD2 4.21Å; H99-L138 PolarHBondContact ND1-N 2.95Å; I119-L138 HydrophobicContact CB-CD1 4.46Å; I119-L138 HydrophobicContact CD1-CD1 4.43Å; I119-L138 HydrophobicContact CG2-CD1 3.68Å; I119-L138 HydrophobicContact CG2-CD2 4.28Å; P124-L138 HydrophobicContact CG-CD2 4.46Å; L138-D142 HydrophobicContact CD1-CB 4.37Å; L138-V146 HydrophobicContact CD1-CG1 4.24Å; L138-V146 HydrophobicContact CD2-CG1 4.39Å; L138-V146 HydrophobicContact CG-CG1 4.35Å; L138-I148 HydrophobicContact CD2-CD1 3.47Å; L138-I148 VanDerWaalsContact CD2-CD1 3.47Å; L138-I148 HydrophobicContact CG-CD1 4.33Å; L138-L167 HydrophobicContact CB-CD1 4.24Å
139D97.8Very high97.6Very high20 Ų2038.1 Ų38.111%0.10721%0.207CC..  trans-143.6155.8176.8-165-90.5000111.1P134 R137 T141 D142 L167P134-D139 HydrophobicContact CB-CB 4.04Å; R137-D139 IonicContact CZ-OD2 3.52Å; R137-D139 IonicContact NH1-OD2 2.67Å; R137-D139 PolarHBondContact NH1-OD2 3.28Å; R137-D139 IonicContact NH2-OD2 3.99Å; D139-T141 PolarHBondContact O-N 3.24Å; D139-T141 PolarHBondContact OD1-N 3.12Å; D139-T141 VanDerWaalsContact OD1-N 3.16Å; D139-T141 PolarHBondContact OD1-OG1 3.12Å; D139-D142 PolarHBondContact N-OD2 3.44Å; D139-D142 WeakPolarHBondContact O-CB 3.27Å; D139-D142 VanDerWaalsContact O-CG 3.31Å; D139-D142 PolarHBondContact O-N 3.21Å; D139-L167 CarbonylContact C-O 3.58Å
140K97Very high97.6Very high38 Ų3838.1 Ų38.117%0.16521%0.207CC..G310 helixtrans-54.8-26.3178.168.9177.3-173.7177.50112.6D142 L167 H169 G274 D275K140-D142 PolarHBondContact O-N 2.84Å; K140-L167 PolarHBondContact N-O 3.4Å; K140-H169 PolarHBondContact O-CE1 3.31Å; K140-G274 PolarHBondContact NZ-O 3.16Å; K140-D275 VanDerWaalsContact NZ-CA 3.29Å; K140-D275 IonicContact NZ-OD1 2.81Å; K140-D275 PolarHBondContact NZ-OD1 3.06Å
141T97.2Very high97.8Very high72 Ų7235.2 Ų35.244%0.44219%0.189SC..G310 helixtrans-67.8-17.7179.257.10000114.1Q109 K115 D139 A143Q109-T141 PolarHBondContact NE2-O 2.94Å; Q109-T141 PolarHBondContact OE1-O 2.03Å; K115-T141 PolarHBondContact NZ-O 3.09Å; D139-T141 PolarHBondContact O-N 3.24Å; D139-T141 PolarHBondContact OD1-N 3.12Å; D139-T141 VanDerWaalsContact OD1-N 3.16Å; D139-T141 PolarHBondContact OD1-OG1 3.12Å; T141-A143 VanDerWaalsContact C-N 3.29Å; T141-A143 PolarHBondContact O-N 3.16Å
142D98.6Very high97.8Very high8 Ų828.8 Ų28.84%0.04315%0.154CC..G310 helixtrans-74.9-15.2-169.9-61-25.6000113.9G102 G105 Q109 I119 L138 D139 K140G102-D142 WeakPolarHBondContact CA-OD2 3.13Å; G105-D142 VanDerWaalsContact CA-O 3.24Å; G105-D142 WeakPolarHBondContact CA-O 3.5Å; Q109-D142 PolarHBondContact NE2-O 3.39Å; I119-D142 HydrophobicContact CD1-CB 3.66Å; L138-D142 HydrophobicContact CD1-CB 4.37Å; D139-D142 PolarHBondContact N-OD2 3.44Å; D139-D142 WeakPolarHBondContact O-CB 3.27Å; D139-D142 VanDerWaalsContact O-CG 3.31Å; D139-D142 PolarHBondContact O-N 3.21Å; K140-D142 PolarHBondContact O-N 2.84Å
143A98.6Very high97.7Very high0 Ų027.1 Ų27.10%014%0.144CC..SBendtrans-148.7171.1176.300000111.8K115 P116 I119 T141 F145 V146K115-A143 WeakPolarHBondContact CE-O 3.47Å; P116-A143 HydrophobicContact CG-CB 3.99Å; P116-A143 WeakPolarHBondContact O-CA 3.11Å; P116-A143 WeakPolarHBondContact O-CB 3.1Å; I119-A143 HydrophobicContact CB-CB 4.14Å; I119-A143 HydrophobicContact CD1-CB 3.79Å; I119-A143 HydrophobicContact CG1-CB 3.75Å; T141-A143 VanDerWaalsContact C-N 3.29Å; T141-A143 PolarHBondContact O-N 3.16Å; A143-F145 WeakPolarHBondContact CB-O 3.32Å; A143-F145 PolarHBondContact O-N 3.48Å; A143-V146 HydrophobicContact CB-CG2 3.9Å
144H97.7Very high97.3Very high99 Ų9923.2 Ų23.246%0.45812%0.124SC..SBendtrans-63.5-32.7172.9-72.7-66.5000112.2K115 P116 A117 H169K115-H144 PolarHBondContact O-CD2 2.94Å; P116-H144 PolarHBondContact O-CD2 2.83Å; P116-H144 PolarHBondContact O-N 3.3Å; A117-H144 WeakPolarHBondContact O-CB 3.47Å; H144-H169 PolarHBondContact O-CE1 2.81Å
145F98.2Very high96.9Very high4 Ų424.2 Ų24.22%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-139.2139172.7179.5-115.7000110.1A117 R118 I119 A143 D147 H169 V170 S258 Q259 Y262A117-F145 PolarHBondContact O-N 2.95Å; R118-F145 CarbonylContact C-O 3.35Å; R118-F145 VanDerWaalsContact CA-O 3.23Å; R118-F145 WeakPolarHBondContact CA-O 3.29Å; R118-F145 HydrophobicContact CG-CD1 3.88Å; I119-F145 PolarHBondContact N-O 2.8Å; A143-F145 WeakPolarHBondContact CB-O 3.32Å; A143-F145 PolarHBondContact O-N 3.48Å; F145-D147 HydrophobicContact CE1-CB 3.74Å; F145-D147 HydrophobicContact CZ-CB 3.82Å; F145-H169 HydrophobicContact CD2-CB 3.89Å; F145-H169 HydrophobicContact CE2-CB 3.94Å; F145-V170 HydrophobicContact CE2-CG1 4.38Å; F145-V170 HydrophobicContact CE2-CG2 3.95Å; F145-V170 HydrophobicContact CZ-CG2 3.62Å; F145-S258 WeakPolarHBondContact CE1-OG 3.36Å; F145-Q259 HydrophobicContact CB-CG 4.23Å; F145-Q259 HydrophobicContact CD1-CB 3.52Å; F145-Q259 HydrophobicContact CD1-CG 3.66Å; F145-Q259 HydrophobicContact CE1-CB 3.64Å; F145-Q259 HydrophobicContact CE1-CG 4.25Å; F145-Q259 HydrophobicContact CG-CB 4.37Å; F145-Q259 HydrophobicContact CG-CG 4.08Å; F145-Y262 AromaticContact CD2-CD1 3.47Å; F145-Y262 HydrophobicContact CD2-CD1 3.47Å; F145-Y262 VanDerWaalsContact CD2-CD1 3.47Å; F145-Y262 AromaticContact CD2-CE1 3.86Å; F145-Y262 HydrophobicContact CD2-CE1 3.86Å; F145-Y262 AromaticContact CD2-CG 3.86Å; F145-Y262 HydrophobicContact CD2-CG 3.86Å; F145-Y262 AromaticContact CE2-CD1 3.47Å; F145-Y262 HydrophobicContact CE2-CD1 3.47Å; F145-Y262 VanDerWaalsContact CE2-CD1 3.47Å; F145-Y262 AromaticContact CE2-CD2 3.83Å; F145-Y262 HydrophobicContact CE2-CD2 3.83Å; F145-Y262 HydrophobicContact CE2-CE1 4.1Å; F145-Y262 HydrophobicContact CE2-CE2 4.42Å; F145-Y262 AromaticContact CE2-CG 3.31Å; F145-Y262 HydrophobicContact CE2-CG 3.31Å; F145-Y262 HydrophobicContact CZ-CD1 4.49Å; F145-Y262 HydrophobicContact CZ-CG 4.09Å
146V98.7Very high96.1Very high0 Ų024.8 Ų24.80%013%0.133CC..EExtended strand (participates in β ladder)trans-134.4121.7-180-178.50000107.6I119 L138 A143 I148 G168 H169 V170I119-V146 HydrophobicContact CB-CG2 4.33Å; I119-V146 VanDerWaalsContact O-CA 3.24Å; I119-V146 WeakPolarHBondContact O-CA 3.49Å; L138-V146 HydrophobicContact CD1-CG1 4.24Å; L138-V146 HydrophobicContact CD2-CG1 4.39Å; L138-V146 HydrophobicContact CG-CG1 4.35Å; A143-V146 HydrophobicContact CB-CG2 3.9Å; V146-I148 HydrophobicContact CG1-CD1 3.85Å; V146-G168 CarbonylContact O-C 3.59Å; V146-G168 WeakPolarHBondContact O-CA 3.33Å; V146-H169 PolarHBondContact N-ND1 3.23Å; V146-H169 PolarHBondContact O-N 2.87Å; V146-V170 PolarHBondContact O-N 2.95Å
147D98.8Very high95.2Very high0 Ų031.5 Ų31.50%016%0.164CC..EExtended strand (participates in β ladder)trans-124.9134.617865.2-52.7000111.4R118 I119 T120 G121 F145 V170 F172 S258R118-D147 IonicContact CZ-OD1 3.71Å; R118-D147 IonicContact CZ-OD2 3.6Å; R118-D147 IonicContact NE-OD1 3.44Å; R118-D147 PolarHBondContact NE-OD1 2.96Å; R118-D147 IonicContact NE-OD2 3.34Å; R118-D147 VanDerWaalsContact NH2-CG 3.3Å; R118-D147 IonicContact NH2-OD1 3.87Å; R118-D147 PolarHBondContact NH2-OD1 2.83Å; R118-D147 IonicContact NH2-OD2 3.32Å; R118-D147 PolarHBondContact NH2-OD2 3.43Å; I119-D147 PolarHBondContact O-N 3.07Å; I119-D147 VanDerWaalsContact O-N 3.13Å; T120-D147 CarbonylContact C-O 3.52Å; T120-D147 VanDerWaalsContact CA-O 3.27Å; T120-D147 WeakPolarHBondContact CA-O 3.31Å; T120-D147 WeakPolarHBondContact CB-OD1 3.26Å; T120-D147 PolarHBondContact OG1-OD1 3.21Å; G121-D147 PolarHBondContact N-O 3.32Å; F145-D147 HydrophobicContact CE1-CB 3.74Å; F145-D147 HydrophobicContact CZ-CB 3.82Å; D147-V170 WeakPolarHBondContact CA-O 3.49Å; D147-V170 HydrophobicContact CB-CG2 3.59Å; D147-F172 HydrophobicContact CB-CE2 4.4Å; D147-S258 VanDerWaalsContact CG-OG 3.31Å; D147-S258 PolarHBondContact OD2-OG 2.8Å
148I98.9Very high94.3Very high0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans-117138.5-174.5-46.4-63.7000110.1G121 P124 L138 V146 H150 L167 V170 D171 F172G121-I148 WeakPolarHBondContact O-CA 3.43Å; P124-I148 HydrophobicContact CG-CD1 4.42Å; P124-I148 HydrophobicContact CG-CG2 3.8Å; L138-I148 HydrophobicContact CD2-CD1 3.47Å; L138-I148 VanDerWaalsContact CD2-CD1 3.47Å; L138-I148 HydrophobicContact CG-CD1 4.33Å; V146-I148 HydrophobicContact CG1-CD1 3.85Å; I148-H150 VanDerWaalsContact CG2-NE2 3.27Å; I148-H150 WeakPolarHBondContact CG2-NE2 3.48Å; I148-L167 HydrophobicContact CD1-CB 4.09Å; I148-L167 HydrophobicContact CG1-CB 4.01Å; I148-V170 PolarHBondContact N-O 3.44Å; I148-D171 HydrophobicContact CB-CB 4.49Å; I148-D171 WeakPolarHBondContact CB-OD1 3.43Å; I148-D171 VanDerWaalsContact CG1-OD1 3.28Å; I148-D171 WeakPolarHBondContact CG1-OD1 3.26Å; I148-F172 PolarHBondContact O-N 3.26Å
149V98.8Very high93.4Very high1 Ų140.3 Ų40.31%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-115.7105.1172.2-179.40000108.5G121 L122 D123 T151 P174 M254G121-V149 PolarHBondContact O-N 3.13Å; L122-V149 HydrophobicContact CD2-CB 4.31Å; L122-V149 HydrophobicContact CD2-CG2 4.28Å; D123-V149 VanDerWaalsContact CA-O 3.29Å; D123-V149 WeakPolarHBondContact CA-O 3.49Å; D123-V149 PolarHBondContact N-O 3.07Å; V149-T151 HydrophobicContact CG1-CG2 4.15Å; V149-P174 HydrophobicContact CG1-CG 4.16Å; V149-M254 HydrophobicContact CG1-SD 3.77Å; V149-M254 HydrophobicContact CG2-CG 3.92Å; V149-M254 HydrophobicContact CG2-SD 4.14Å
150H98.6Very high92.9Very high0 Ų039.4 Ų39.40%021%0.211CC..  trans-87.7124.4177.9-60.4-88.9000110.1I148 I163 M165 D171 F172 F173 P174 G177I148-H150 VanDerWaalsContact CG2-NE2 3.27Å; I148-H150 WeakPolarHBondContact CG2-NE2 3.48Å; H150-I163 PolarHBondContact CE1-O 3.46Å; H150-I163 PolarHBondContact ND1-O 2.84Å; H150-M165 PolarHBondContact CE1-O 3.47Å; H150-D171 IonicContact CE1-OD1 3.5Å; H150-D171 IonicContact NE2-OD1 2.83Å; H150-D171 PolarHBondContact NE2-OD1 3.31Å; H150-D171 VanDerWaalsContact NE2-OD1 3.07Å; H150-F172 PolarHBondContact N-O 2.71Å; H150-F173 HydrophobicContact CB-CD1 3.7Å; H150-F173 HydrophobicContact CB-CE1 3.68Å; H150-F173 HydrophobicContact CB-CG 4.34Å; H150-F173 HydrophobicContact CB-CZ 4.32Å; H150-F173 AromaticContact CD2-CE1 3.65Å; H150-F173 AromaticContact CD2-CE2 3.67Å; H150-F173 AromaticContact CD2-CZ 3.35Å; H150-F173 WeakPolarHBondContact CD2-CZ 3.24Å; H150-F173 AromaticContact CG-CE1 3.56Å; H150-F173 AromaticContact CG-CZ 3.76Å; H150-F173 AromaticContact NE2-CZ 3.7Å; H150-P174 VanDerWaalsContact O-CD 3.3Å; H150-P174 WeakPolarHBondContact O-CD 3.2Å; H150-G177 VanDerWaalsContact O-CA 3.23Å; H150-G177 WeakPolarHBondContact O-CA 3.12Å
151T97.9Very high92.6Very high0 Ų040.4 Ų40.40%022%0.218CC..SBendtrans-130.5-16.617947.70000113.4D123 V149 P174 G177 N180 N207 R210 S211 Y214D123-T151 WeakPolarHBondContact CB-OG1 3.36Å; D123-T151 PolarHBondContact OD1-N 2.71Å; D123-T151 PolarHBondContact OD2-OG1 2.81Å; V149-T151 HydrophobicContact CG1-CG2 4.15Å; T151-P174 HydrophobicContact CG2-CG 3.76Å; T151-G177 CarbonylContact C-O 3.59Å; T151-N180 PolarHBondContact O-ND2 3.48Å; T151-N207 WeakPolarHBondContact CB-O 3.43Å; T151-N207 WeakPolarHBondContact O-CB 3.43Å; T151-N207 PolarHBondContact OG1-O 3.12Å; T151-R210 HydrophobicContact CG2-CB 3.81Å; T151-S211 WeakPolarHBondContact OG1-CB 3.45Å; T151-S211 PolarHBondContact OG1-N 2.93Å; T151-Y214 HydrophobicContact CG2-CD2 3.92Å; T151-Y214 HydrophobicContact CG2-CE2 3.8Å
152D95.5Very high92.5Very high4 Ų437 Ų372%0.02120%0.198CC..  trans-136.143178.9-161.929000112.8D123 N154 L161 G162 G177 N207 H208D123-D152 PolarHBondContact OD1-N 3.4Å; D123-D152 WeakPolarHBondContact OD2-CB 3.36Å; D123-D152 PolarHBondContact OD2-N 2.96Å; D152-N154 PolarHBondContact O-N 2.81Å; D152-L161 PolarHBondContact O-N 3.23Å; D152-L161 PolarHBondContact OD2-N 2.91Å; D152-G162 WeakPolarHBondContact O-CA 3.23Å; D152-G162 PolarHBondContact O-N 3.4Å; D152-G177 PolarHBondContact N-O 3.02Å; D152-N207 HydrophobicContact CB-CB 3.73Å; D152-N207 WeakPolarHBondContact OD1-CB 3.47Å; D152-H208 HydrophobicContact CB-CB 4.17Å
153A94.3Very high92.4Very high3 Ų336.7 Ų36.73%0.02520%0.196CC..  trans-71.413.8-178.400000114.2G162 N164 G177 F178A153-G162 WeakPolarHBondContact CA-O 3.05Å; A153-N164 HydrophobicContact CB-CB 3.9Å; A153-G177 VanDerWaalsContact CB-O 3.32Å; A153-G177 WeakPolarHBondContact CB-O 3.49Å; A153-G177 PolarHBondContact N-O 3.2Å; A153-F178 HydrophobicContact CB-CD1 4.09Å; A153-F178 HydrophobicContact CB-CE1 3.97Å; A153-F178 WeakPolarHBondContact O-CE1 3.31Å
154N90.1Very high92.2Very high21 Ų2140.8 Ų40.811%0.11222%0.218CC..SBendtrans-61.6149.2174.9-87.8-60.4000110.2D152 L156 G160 F178 D179D152-N154 PolarHBondContact O-N 2.81Å; N154-L156 PolarHBondContact O-N 3.12Å; N154-G160 VanDerWaalsContact O-CA 3.32Å; N154-G160 WeakPolarHBondContact O-CA 3.32Å; N154-F178 PolarHBondContact ND2-O 3.43Å; N154-F178 VanDerWaalsContact ND2-O 3.1Å; N154-D179 PolarHBondContact ND2-OD1 3.12Å
155P86.8Confident92.1Very high74 Ų7438.1 Ų38.148%0.48121%0.206SC..  trans-54.8142.5170.3-24.633.3000111.2M157 K158 G159 G160P155-M157 PolarHBondContact O-N 3.33Å; P155-K158 WeakPolarHBondContact O-CA 3.44Å; P155-K158 WeakPolarHBondContact O-CB 3.31Å; P155-K158 PolarHBondContact O-N 3.44Å; P155-G159 PolarHBondContact O-N 3.01Å; P155-G160 PolarHBondContact O-N 3.24Å
156L81.2Confident92Very high105 Ų10544.2 Ų44.255%0.5523%0.229SC..G310 helixtrans-53.7-34.7-179.4-174.264.6000113P127 N154 K158 G159 G160 L161P127-L156 HydrophobicContact CG-CD1 3.98Å; P127-L156 HydrophobicContact CG-CD2 4.18Å; N154-L156 PolarHBondContact O-N 3.12Å; L156-K158 PolarHBondContact O-N 3.29Å; L156-G159 PolarHBondContact O-N 2.77Å; L156-G160 WeakPolarHBondContact CA-O 3.5Å; L156-G160 WeakPolarHBondContact CD1-O 3.28Å; L156-L161 HydrophobicContact CD1-CD2 4.47Å
157M77.5Confident91.9Very high189 Ų18944.3 Ų44.393%0.93123%0.229SC*.G310 helixtrans-64.1-19.1176.3-60.6-61.5-78.400113.8P155P155-M157 PolarHBondContact O-N 3.33Å
158K80.3Confident91.8Very high164 Ų16444.3 Ų44.371%0.71323%0.229SC*.G310 helixtrans-996.5172.9-64-171.2-179.9178.40112.8P155 L156P155-K158 WeakPolarHBondContact O-CA 3.44Å; P155-K158 WeakPolarHBondContact O-CB 3.31Å; P155-K158 PolarHBondContact O-N 3.44Å; L156-K158 PolarHBondContact O-N 3.29Å
159G79.4Confident91.7Very high44 Ų4446.2 Ų46.245%0.45424%0.238SC..THydrogen-bonded Turntrans89.15.6179.500000115.1P155 L156P155-G159 PolarHBondContact O-N 3.01Å; L156-G159 PolarHBondContact O-N 2.77Å
160G86.1Confident91.7Very high1 Ų146.1 Ų46.11%0.0124%0.238CC..  trans-72.8136176.800000112.5N154 P155 L156N154-G160 VanDerWaalsContact O-CA 3.32Å; N154-G160 WeakPolarHBondContact O-CA 3.32Å; P155-G160 PolarHBondContact O-N 3.24Å; L156-G160 WeakPolarHBondContact CA-O 3.5Å; L156-G160 WeakPolarHBondContact CD1-O 3.28Å
161L91.7Very high91.7Very high59 Ų5946.1 Ų46.131%0.30924%0.238SC..  trans-106.9-23.3-176.7-57179.7000112.7A125 A126 D152 L156 H208A125-L161 WeakPolarHBondContact CA-O 3.32Å; A126-L161 PolarHBondContact N-O 3.43Å; D152-L161 PolarHBondContact O-N 3.23Å; D152-L161 PolarHBondContact OD2-N 2.91Å; L156-L161 HydrophobicContact CD1-CD2 4.47Å; L161-H208 HydrophobicContact CB-CB 4.46Å; L161-H208 HydrophobicContact CD1-CB 4.11Å
162G95.4Very high91.7Very high2 Ų246.1 Ų46.12%0.02124%0.238CC..BIsolated β-bridgetrans-83.7146.4-177.100000113.1P124 A126 D152 A153P124-G162 CarbonylContact O-C 3.53Å; P124-G162 WeakPolarHBondContact O-CA 3.34Å; A126-G162 WeakPolarHBondContact CB-O 3.46Å; D152-G162 WeakPolarHBondContact O-CA 3.23Å; D152-G162 PolarHBondContact O-N 3.4Å; A153-G162 WeakPolarHBondContact CA-O 3.05Å
163I96.1Very high91.8Very high0 Ų046.4 Ų46.40%024%0.239CC..  trans-73.6139.8175.1-160.6169.3000109.9P124 A126 F129 H150 M165 L167P124-I163 HydrophobicContact CB-CG2 3.87Å; P124-I163 HydrophobicContact CG-CG2 4.35Å; P124-I163 WeakPolarHBondContact O-CG2 3.14Å; P124-I163 PolarHBondContact O-N 3.49Å; A126-I163 HydrophobicContact CB-CB 4.16Å; A126-I163 HydrophobicContact CB-CG1 4.49Å; F129-I163 HydrophobicContact CB-CD1 4.36Å; H150-I163 PolarHBondContact CE1-O 3.46Å; H150-I163 PolarHBondContact ND1-O 2.84Å; I163-M165 HydrophobicContact CD1-CB 4.1Å; I163-M165 HydrophobicContact CD1-CG 4.21Å; I163-M165 HydrophobicContact CD1-SD 3.79Å; I163-M165 HydrophobicContact CG1-CB 3.98Å; I163-M165 HydrophobicContact CG1-CG 4.07Å; I163-M165 HydrophobicContact CG1-SD 4.22Å; I163-L167 HydrophobicContact CD1-CD1 4.42Å; I163-L167 HydrophobicContact CD1-CD2 4.3Å; I163-L167 HydrophobicContact CG2-CD1 3.79Å; I163-L167 HydrophobicContact CG2-CG 4.34Å
164N95.3Very high92Very high86 Ų8646.3 Ų46.346%0.4624%0.238SC..  trans-98.84.2176.5-167.725.4000112.8A153A153-N164 HydrophobicContact CB-CB 3.9Å
165M95.4Very high92.3Very high43 Ų4345.7 Ų45.721%0.21223%0.234CC..SBendtrans-78.4143.5174.5-6617267.600109.4T130 D131 H150 I163 L167T130-M165 HydrophobicContact CG2-SD 4.09Å; D131-M165 PolarHBondContact N-SD 2.88Å; H150-M165 PolarHBondContact CE1-O 3.47Å; I163-M165 HydrophobicContact CD1-CB 4.1Å; I163-M165 HydrophobicContact CD1-CG 4.21Å; I163-M165 HydrophobicContact CD1-SD 3.79Å; I163-M165 HydrophobicContact CG1-CB 3.98Å; I163-M165 HydrophobicContact CG1-CG 4.07Å; I163-M165 HydrophobicContact CG1-SD 4.22Å; M165-L167 HydrophobicContact CB-CD2 3.83Å; M165-L167 PolarHBondContact O-N 3.19Å
166R95.6Very high92.7Very high133 Ų13342.2 Ų42.250%0.50221%0.212SC..  trans-78.2115.7172.9-54.5169.6-168.6-179-2.5107.8D171 P277 V279R166-D171 VanDerWaalsContact CA-OD1 3.31Å; R166-D171 WeakPolarHBondContact CA-OD1 3.5Å; R166-P277 HydrophobicContact CB-CB 4.02Å; R166-P277 HydrophobicContact CB-CG 3.71Å; R166-V279 HydrophobicContact CG-CG2 4.27Å
167L96.3Very high93.4Very high2 Ų237.2 Ų37.21%0.0119%0.186CC..  trans-110.2-19.9-173.5-52.6-176.4000112.6P124 L138 D139 K140 I148 I163 M165 D171P124-L167 HydrophobicContact CB-CD1 4.08Å; P124-L167 HydrophobicContact CG-CD1 4.11Å; L138-L167 HydrophobicContact CB-CD1 4.24Å; D139-L167 CarbonylContact C-O 3.58Å; K140-L167 PolarHBondContact N-O 3.4Å; I148-L167 HydrophobicContact CD1-CB 4.09Å; I148-L167 HydrophobicContact CG1-CB 4.01Å; I163-L167 HydrophobicContact CD1-CD1 4.42Å; I163-L167 HydrophobicContact CD1-CD2 4.3Å; I163-L167 HydrophobicContact CG2-CD1 3.79Å; I163-L167 HydrophobicContact CG2-CG 4.34Å; M165-L167 HydrophobicContact CB-CD2 3.83Å; M165-L167 PolarHBondContact O-N 3.19Å; L167-D171 PolarHBondContact N-OD1 3.37Å
168G97.1Very high94Very high0 Ų031.2 Ų31.20%016%0.155CC..SBendtrans-94.1-173.6-169.800000114.6V146 V170 D171 P277V146-G168 CarbonylContact O-C 3.59Å; V146-G168 WeakPolarHBondContact O-CA 3.33Å; G168-V170 VanDerWaalsContact C-N 3.3Å; G168-D171 PolarHBondContact N-OD1 3.03Å; G168-D171 PolarHBondContact N-OD2 3.24Å; G168-P277 VanDerWaalsContact O-CB 3.26Å; G168-P277 WeakPolarHBondContact O-CB 3.13Å; G168-P277 WeakPolarHBondContact O-CG 3.43Å
169H97.6Very high94.5Very high39 Ų3927.5 Ų27.518%0.18114%0.143CC..SBendtrans-72.5-33.9153.5-63.984.5000109.9K140 H144 F145 V146 Y262 P277 G278K140-H169 PolarHBondContact O-CE1 3.31Å; H144-H169 PolarHBondContact O-CE1 2.81Å; F145-H169 HydrophobicContact CD2-CB 3.89Å; F145-H169 HydrophobicContact CE2-CB 3.94Å; V146-H169 PolarHBondContact N-ND1 3.23Å; V146-H169 PolarHBondContact O-N 2.87Å; H169-Y262 HydrophobicContact CB-CE2 4.21Å; H169-P277 WeakPolarHBondContact O-CA 3.45Å; H169-G278 PolarHBondContact O-N 3.2Å
170V97.4Very high95.2Very high0 Ų025.5 Ų25.50%012%0.121CC..EExtended strand (participates in β ladder)trans-136.4143.2172.5-58.40000110.9F145 V146 D147 I148 G168 F172 L252 Y262 G278 F280F145-V170 HydrophobicContact CE2-CG1 4.38Å; F145-V170 HydrophobicContact CE2-CG2 3.95Å; F145-V170 HydrophobicContact CZ-CG2 3.62Å; V146-V170 PolarHBondContact O-N 2.95Å; D147-V170 WeakPolarHBondContact CA-O 3.49Å; D147-V170 HydrophobicContact CB-CG2 3.59Å; I148-V170 PolarHBondContact N-O 3.44Å; G168-V170 VanDerWaalsContact C-N 3.3Å; V170-F172 HydrophobicContact CB-CE2 4.34Å; V170-F172 HydrophobicContact CG2-CD2 4.36Å; V170-F172 HydrophobicContact CG2-CE2 3.58Å; V170-F172 HydrophobicContact CG2-CZ 4.12Å; V170-L252 HydrophobicContact CB-CD1 4.46Å; V170-L252 HydrophobicContact CG1-CD1 3.78Å; V170-Y262 HydrophobicContact CG1-CD2 3.58Å; V170-Y262 HydrophobicContact CG1-CE2 3.97Å; V170-G278 CarbonylContact C-O 3.53Å; V170-G278 VanDerWaalsContact CA-O 3.29Å; V170-G278 WeakPolarHBondContact CA-O 3.46Å; V170-F280 HydrophobicContact CB-CD2 4.21Å; V170-F280 HydrophobicContact CB-CE2 3.94Å; V170-F280 HydrophobicContact CG1-CE2 3.78Å
171D98.2Very high95.4Very high0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans-129.7118.9-179.9-64.4-103.3000109.1I148 H150 R166 L167 G168 F173 P277 G278 V279 F280I148-D171 HydrophobicContact CB-CB 4.49Å; I148-D171 WeakPolarHBondContact CB-OD1 3.43Å; I148-D171 VanDerWaalsContact CG1-OD1 3.28Å; I148-D171 WeakPolarHBondContact CG1-OD1 3.26Å; H150-D171 IonicContact CE1-OD1 3.5Å; H150-D171 IonicContact NE2-OD1 2.83Å; H150-D171 PolarHBondContact NE2-OD1 3.31Å; H150-D171 VanDerWaalsContact NE2-OD1 3.07Å; R166-D171 VanDerWaalsContact CA-OD1 3.31Å; R166-D171 WeakPolarHBondContact CA-OD1 3.5Å; L167-D171 PolarHBondContact N-OD1 3.37Å; G168-D171 PolarHBondContact N-OD1 3.03Å; G168-D171 PolarHBondContact N-OD2 3.24Å; D171-F173 HydrophobicContact CB-CE2 3.75Å; D171-F173 HydrophobicContact CB-CZ 4.44Å; D171-P277 WeakPolarHBondContact OD2-CB 3.44Å; D171-G278 PolarHBondContact N-O 3.32Å; D171-V279 WeakPolarHBondContact O-CA 3.25Å; D171-F280 PolarHBondContact O-N 3.39Å
172F98.7Very high95.3Very high0 Ų025.8 Ų25.80%013%0.131CC..EExtended strand (participates in β ladder)trans-99.3134-179.5-62.5-89000110.8D147 I148 H150 V170 P174 L252 M254 F280D147-F172 HydrophobicContact CB-CE2 4.4Å; I148-F172 PolarHBondContact O-N 3.26Å; H150-F172 PolarHBondContact N-O 2.71Å; V170-F172 HydrophobicContact CB-CE2 4.34Å; V170-F172 HydrophobicContact CG2-CD2 4.36Å; V170-F172 HydrophobicContact CG2-CE2 3.58Å; V170-F172 HydrophobicContact CG2-CZ 4.12Å; F172-P174 VanDerWaalsContact C-CD 3.44Å; F172-P174 WeakPolarHBondContact O-CD 3.23Å; F172-L252 HydrophobicContact CE1-CB 4.09Å; F172-L252 HydrophobicContact CZ-CB 4.02Å; F172-L252 HydrophobicContact CZ-CD1 4.46Å; F172-M254 HydrophobicContact CB-CB 4.35Å; F172-M254 HydrophobicContact CB-CG 3.66Å; F172-M254 HydrophobicContact CB-SD 3.73Å; F172-M254 HydrophobicContact CD1-CB 3.53Å; F172-M254 HydrophobicContact CD1-CG 3.79Å; F172-M254 HydrophobicContact CD2-CB 4.36Å; F172-M254 HydrophobicContact CD2-CG 3.93Å; F172-M254 HydrophobicContact CE1-CB 3.82Å; F172-M254 HydrophobicContact CE1-CG 4.41Å; F172-M254 HydrophobicContact CG-CB 3.84Å; F172-M254 HydrophobicContact CG-CG 3.53Å; F172-M254 HydrophobicContact CG-SD 4.26Å; F172-M254 HydrophobicContact CZ-CB 4.35Å; F172-F280 WeakPolarHBondContact CA-O 3.05Å; F172-F280 HydrophobicContact CD1-CB 3.44Å; F172-F280 VanDerWaalsContact CD1-CB 3.44Å; F172-F280 HydrophobicContact CD1-CD2 4.45Å; F172-F280 HydrophobicContact CD1-CG 4.08Å; F172-F280 HydrophobicContact CE1-CB 3.73Å; F172-F280 HydrophobicContact CE1-CD1 4.45Å; F172-F280 HydrophobicContact CE1-CD2 4.17Å; F172-F280 AromaticContact CE1-CG 3.87Å; F172-F280 HydrophobicContact CE1-CG 3.87Å; F172-F280 HydrophobicContact CG-CB 4.29Å
173F98.4Very high94.8Very high10 Ų1026.5 Ų26.54%0.04414%0.135CC..EExtended strand (participates in β ladder)trans-122.370-179.5-68.9-95.4000110.2H150 D171 N175 G176 V279 F280 Y281H150-F173 HydrophobicContact CB-CD1 3.7Å; H150-F173 HydrophobicContact CB-CE1 3.68Å; H150-F173 HydrophobicContact CB-CG 4.34Å; H150-F173 HydrophobicContact CB-CZ 4.32Å; H150-F173 AromaticContact CD2-CE1 3.65Å; H150-F173 AromaticContact CD2-CE2 3.67Å; H150-F173 AromaticContact CD2-CZ 3.35Å; H150-F173 WeakPolarHBondContact CD2-CZ 3.24Å; H150-F173 AromaticContact CG-CE1 3.56Å; H150-F173 AromaticContact CG-CZ 3.76Å; H150-F173 AromaticContact NE2-CZ 3.7Å; D171-F173 HydrophobicContact CB-CE2 3.75Å; D171-F173 HydrophobicContact CB-CZ 4.44Å; F173-N175 PolarHBondContact O-N 3.42Å; F173-G176 WeakPolarHBondContact O-CA 3.48Å; F173-G176 PolarHBondContact O-N 3.42Å; F173-V279 HydrophobicContact CD2-CG1 3.79Å; F173-V279 HydrophobicContact CE2-CG1 3.9Å; F173-F280 PolarHBondContact N-O 3.16Å; F173-Y281 HydrophobicContact CB-CD1 3.59Å; F173-Y281 HydrophobicContact CB-CE1 3.59Å; F173-Y281 HydrophobicContact CD2-CE1 4.33Å; F173-Y281 HydrophobicContact CG-CD1 4.49Å; F173-Y281 HydrophobicContact CG-CE1 4.04Å
174P98.1Very high93.7Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-55.2129.5173.725.1-36.1000110.8V149 H150 T151 F172 G176 G177 Y214 M254 L282 T284V149-P174 HydrophobicContact CG1-CG 4.16Å; H150-P174 VanDerWaalsContact O-CD 3.3Å; H150-P174 WeakPolarHBondContact O-CD 3.2Å; T151-P174 HydrophobicContact CG2-CG 3.76Å; F172-P174 VanDerWaalsContact C-CD 3.44Å; F172-P174 WeakPolarHBondContact O-CD 3.23Å; P174-G176 PolarHBondContact O-N 2.85Å; P174-G176 VanDerWaalsContact O-N 3.14Å; P174-G177 WeakPolarHBondContact O-CA 3.35Å; P174-G177 PolarHBondContact O-N 3.3Å; P174-Y214 HydrophobicContact CB-CD2 4.2Å; P174-Y214 HydrophobicContact CB-CE2 3.99Å; P174-Y214 HydrophobicContact CG-CD2 3.96Å; P174-Y214 HydrophobicContact CG-CE2 3.95Å; P174-M254 HydrophobicContact CB-CE 4.45Å; P174-M254 HydrophobicContact CB-SD 4.21Å; P174-M254 HydrophobicContact CG-CE 4.48Å; P174-M254 HydrophobicContact CG-SD 3.93Å; P174-L282 CarbonylContact C-O 3.56Å; P174-L282 WeakPolarHBondContact CA-O 3.48Å; P174-L282 HydrophobicContact CB-CD2 3.86Å; P174-L282 HydrophobicContact CB-CG 4.1Å; P174-T284 HydrophobicContact CB-CG2 3.97Å
175N96.4Very high92.2Very high9 Ų934.7 Ų34.75%0.04817%0.173CC..G310 helixtrans54.727.4-174.7-34.7-75.8000113F173 G177 N180 P181 F233 L282 W283 T284F173-N175 PolarHBondContact O-N 3.42Å; N175-G177 VanDerWaalsContact C-N 3.29Å; N175-N180 PolarHBondContact ND2-OD1 3.16Å; N175-P181 WeakPolarHBondContact ND2-CD 3.38Å; N175-F233 VanDerWaalsContact O-CZ 3.26Å; N175-F233 WeakPolarHBondContact O-CZ 3.49Å; N175-L282 PolarHBondContact N-O 3.34Å; N175-W283 HydrophobicContact CB-CE3 4.13Å; N175-W283 HydrophobicContact CB-CZ3 4.2Å; N175-T284 PolarHBondContact ND2-OG1 2.63Å; N175-T284 PolarHBondContact OD1-N 3.12Å; N175-T284 PolarHBondContact OD1-O 2.89Å; N175-T284 PolarHBondContact OD1-OG1 3.31Å; N175-T284 VanDerWaalsContact OD1-OG1 3.09Å
176G95.4Very high90.4Very high1 Ų140 Ų401%0.0120%0.195CC..G310 helixtrans86.3-5.8-175.800000114.2F173 P174 F178 F233F173-G176 WeakPolarHBondContact O-CA 3.48Å; F173-G176 PolarHBondContact O-N 3.42Å; P174-G176 PolarHBondContact O-N 2.85Å; P174-G176 VanDerWaalsContact O-N 3.14Å; G176-F178 WeakPolarHBondContact O-CD2 3.47Å; G176-F178 WeakPolarHBondContact O-CE2 3.34Å; G176-F233 VanDerWaalsContact CA-CD2 3.45Å; G176-F233 VanDerWaalsContact CA-CE2 3.45Å; G176-F233 VanDerWaalsContact N-CZ 3.33Å
177G95.3Very high88.5Confident0 Ų038 Ų380%019%0.19CC..G310 helixtrans81.110.9176.300000115.8H150 T151 D152 A153 P174 N175H150-G177 VanDerWaalsContact O-CA 3.23Å; H150-G177 WeakPolarHBondContact O-CA 3.12Å; T151-G177 CarbonylContact C-O 3.59Å; D152-G177 PolarHBondContact N-O 3.02Å; A153-G177 VanDerWaalsContact CB-O 3.32Å; A153-G177 WeakPolarHBondContact CB-O 3.49Å; A153-G177 PolarHBondContact N-O 3.2Å; P174-G177 WeakPolarHBondContact O-CA 3.35Å; P174-G177 PolarHBondContact O-N 3.3Å; N175-G177 VanDerWaalsContact C-N 3.29Å
178F90.9Very high86.5Confident63 Ų6344.7 Ų44.728%0.27622%0.221SC..THydrogen-bonded Turntrans-111.4-69.4-177.3-55.7-76.7000112.4A153 N154 G176 N207A153-F178 HydrophobicContact CB-CD1 4.09Å; A153-F178 HydrophobicContact CB-CE1 3.97Å; A153-F178 WeakPolarHBondContact O-CE1 3.31Å; N154-F178 PolarHBondContact ND2-O 3.43Å; N154-F178 VanDerWaalsContact ND2-O 3.1Å; G176-F178 WeakPolarHBondContact O-CD2 3.47Å; G176-F178 WeakPolarHBondContact O-CE2 3.34Å; F178-N207 PolarHBondContact O-ND2 2.99Å
179D89.9Confident84.6Confident86 Ų8648.7 Ų48.746%0.4624%0.243SC..SBendtrans-117.9101.9-172.2-63-40.8000109.8N154N154-D179 PolarHBondContact ND2-OD1 3.12Å
180N93.1Very high82.6Confident1 Ų147.8 Ų47.81%0.00524%0.24CC..  trans-81.8143.4-177.5-63.8-83.1000111.4T151 N175 G182 C183 N207 R210 Y214T151-N180 PolarHBondContact O-ND2 3.48Å; N175-N180 PolarHBondContact ND2-OD1 3.16Å; N180-G182 PolarHBondContact O-N 3.37Å; N180-C183 WeakPolarHBondContact O-CB 3.1Å; N180-C183 PolarHBondContact O-N 3.01Å; N180-N207 WeakPolarHBondContact CB-OD1 3.14Å; N180-N207 PolarHBondContact N-OD1 2.92Å; N180-N207 PolarHBondContact ND2-OD1 3.47Å; N180-R210 HydrophobicContact CB-CB 4.49Å; N180-R210 HydrophobicContact CB-CG 3.67Å; N180-Y214 PolarHBondContact OD1-OH 2.86Å
181P92.2Very high80.7Confident44 Ų4451 Ų5129%0.28626%0.259SS..THydrogen-bonded Turntrans-52.4137.8174.9-29.538.5000111.9N175 C183 R210 D286N175-P181 WeakPolarHBondContact ND2-CD 3.38Å; P181-C183 VanDerWaalsContact C-N 3.33Å; P181-C183 PolarHBondContact O-N 3.01Å; P181-R210 PolarHBondContact O-NH2 3.45Å; P181-D286 HydrophobicContact CB-CB 3.73Å; P181-D286 WeakPolarHBondContact O-CA 3.46Å
182G88.3Confident78.6Confident22 Ų2259 Ų5923%0.22729%0.294CS..THydrogen-bonded Turntrans83.9-4.317900000116.2N180 K185N180-G182 PolarHBondContact O-N 3.37Å; G182-K185 VanDerWaalsContact O-CE 3.3Å; G182-K185 WeakPolarHBondContact O-CE 3.45Å
183C85.6Confident76.5Confident17 Ų1767.5 Ų67.512%0.11533%0.331CS..  trans-92-12.9-180-710000115.5N180 P181 K185 C206 N207N180-C183 WeakPolarHBondContact O-CB 3.1Å; N180-C183 PolarHBondContact O-N 3.01Å; P181-C183 VanDerWaalsContact C-N 3.33Å; P181-C183 PolarHBondContact O-N 3.01Å; C183-K185 PolarHBondContact O-N 3.43Å; C183-C206 WeakPolarHBondContact CA-SG 3.46Å; C183-C206 HydrophobicContact CB-CB 3.5Å; C183-C206 WeakPolarHBondContact CB-SG 3.2Å; C183-C206 WeakPolarHBondContact SG-CB 3.43Å; C183-C206 PolarHBondContact SG-O 3.07Å; C183-C206 CovalentContact SG-SG 2.05Å; C183-C206 PolarHBondContact SG-SG 3.3Å; C183-N207 WeakPolarHBondContact CB-OD1 3.45Å; C183-N207 PolarHBondContact SG-N 3.11Å
184N72.2Confident74.4Confident134 Ų13471.6 Ų71.672%0.71735%0.349SS*.  trans-79.431.8177.7-65.5-24.3000114.1
185K64.3Low72.6Confident124 Ų12475.7 Ų75.754%0.53937%0.374SS..  trans-79141.7-176.1-71.6178.7-177.7168.10110.9G182 C183 V190 F203G182-K185 VanDerWaalsContact O-CE 3.3Å; G182-K185 WeakPolarHBondContact O-CE 3.45Å; C183-K185 PolarHBondContact O-N 3.43Å; K185-V190 HydrophobicContact CB-CG2 4.36Å; K185-F203 WeakPolarHBondContact O-CE2 3.42Å
186K58Low70.3Confident155 Ų15581.3 Ų81.367%0.67440%0.403SS*.  trans-66.7142.9175-64-179.4-179.4179.10109.3Q188 D189K186-Q188 PolarHBondContact O-N 3.05Å; K186-D189 WeakPolarHBondContact O-CB 3.34Å; K186-D189 PolarHBondContact O-N 3.36Å
187F56Low68.2Low90 Ų9086.9 Ų86.940%0.39543%0.428SS..Hα-helixtrans-47.7-40.3179.1-176-115.4000113D189 V190 V191 T199 F203F187-D189 PolarHBondContact O-N 3.02Å; F187-V190 PolarHBondContact O-N 3.26Å; F187-V190 VanDerWaalsContact O-N 3.1Å; F187-V191 HydrophobicContact CD1-CG2 3.84Å; F187-V191 HydrophobicContact CD2-CG2 4.22Å; F187-V191 HydrophobicContact CE1-CG2 3.53Å; F187-V191 HydrophobicContact CE2-CG2 3.97Å; F187-V191 HydrophobicContact CG-CG2 4.18Å; F187-V191 HydrophobicContact CZ-CG2 3.62Å; F187-V191 VanDerWaalsContact O-CG2 3.28Å; F187-V191 WeakPolarHBondContact O-CG2 3.43Å; F187-V191 PolarHBondContact O-N 3.36Å; F187-V191 VanDerWaalsContact O-N 3.11Å; F187-T199 HydrophobicContact CE2-CG2 4.35Å; F187-F203 HydrophobicContact CB-CD1 4.47Å; F187-F203 HydrophobicContact CB-CD2 4.09Å; F187-F203 HydrophobicContact CB-CE1 4.01Å; F187-F203 HydrophobicContact CB-CE2 3.61Å; F187-F203 HydrophobicContact CB-CG 4.5Å; F187-F203 HydrophobicContact CB-CZ 3.56Å; F187-F203 HydrophobicContact CD2-CB 4.17Å; F187-F203 AromaticContact CD2-CD1 3.41Å; F187-F203 HydrophobicContact CD2-CD1 3.41Å; F187-F203 VanDerWaalsContact CD2-CD1 3.41Å; F187-F203 AromaticContact CD2-CD2 3.96Å; F187-F203 HydrophobicContact CD2-CD2 3.96Å; F187-F203 AromaticContact CD2-CE1 3.67Å; F187-F203 HydrophobicContact CD2-CE1 3.67Å; F187-F203 HydrophobicContact CD2-CE2 4.21Å; F187-F203 AromaticContact CD2-CG 3.56Å; F187-F203 HydrophobicContact CD2-CG 3.56Å; F187-F203 HydrophobicContact CD2-CZ 4.07Å; F187-F203 HydrophobicContact CE2-CD1 4.06Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 HydrophobicContact CG-CD1 4.35Å; F187-F203 HydrophobicContact CG-CE1 4.2Å; F187-F203 HydrophobicContact CG-CE2 4.43Å; F187-F203 HydrophobicContact CG-CZ 4.25Å
188Q54Low66.4Low143 Ų14390 Ų9067%0.66844%0.444SS*.Hα-helixtrans-59.8-26.6179.3-63.6-178.7-6.700114.1K186K186-Q188 PolarHBondContact O-N 3.05Å
189D56.7Low64.6Low84 Ų8487.1 Ų87.145%0.44943%0.431SS..Hα-helixtrans-83.7-24.1179.3-61.5-38.3000112.3K186 F187K186-D189 WeakPolarHBondContact O-CB 3.34Å; K186-D189 PolarHBondContact O-N 3.36Å; F187-D189 PolarHBondContact O-N 3.02Å
190V55.7Low62.7Low20 Ų2087.5 Ų87.512%0.12143%0.431CS..Hα-helixtrans-83.3-40.3178.1-168.60000110.8K185 F187 K192 K193 T199 E202 F203K185-V190 HydrophobicContact CB-CG2 4.36Å; F187-V190 PolarHBondContact O-N 3.26Å; F187-V190 VanDerWaalsContact O-N 3.1Å; V190-K192 PolarHBondContact O-N 3.21Å; V190-K192 VanDerWaalsContact O-N 3.15Å; V190-K193 PolarHBondContact O-N 3.39Å; V190-T199 HydrophobicContact CB-CG2 4.16Å; V190-T199 HydrophobicContact CG1-CG2 3.83Å; V190-E202 HydrophobicContact CG1-CB 4.2Å; V190-F203 HydrophobicContact CG1-CB 4.4Å; V190-F203 HydrophobicContact CG2-CB 4.46Å; V190-F203 HydrophobicContact CG2-CD2 4.05Å
191V57.4Low61Low68 Ų6889.5 Ų89.541%0.41244%0.441SS..Hα-helixtrans-60.7-26.2-178.8174.10000113.2F187 K193 T199F187-V191 HydrophobicContact CD1-CG2 3.84Å; F187-V191 HydrophobicContact CD2-CG2 4.22Å; F187-V191 HydrophobicContact CE1-CG2 3.53Å; F187-V191 HydrophobicContact CE2-CG2 3.97Å; F187-V191 HydrophobicContact CG-CG2 4.18Å; F187-V191 HydrophobicContact CZ-CG2 3.62Å; F187-V191 VanDerWaalsContact O-CG2 3.28Å; F187-V191 WeakPolarHBondContact O-CG2 3.43Å; F187-V191 PolarHBondContact O-N 3.36Å; F187-V191 VanDerWaalsContact O-N 3.11Å; V191-K193 PolarHBondContact O-N 3.39Å; V191-T199 HydrophobicContact CB-CG2 4.24Å; V191-T199 HydrophobicContact CG2-CG2 3.67Å
192K54.6Low59.4Low167 Ų16790.2 Ų90.273%0.72644%0.44SS*.THydrogen-bonded Turntrans-73.2-7.2-176.4-75.7176.8-177.9174.30114.8V190V190-K192 PolarHBondContact O-N 3.21Å; V190-K192 VanDerWaalsContact O-N 3.15Å
193K53.3Low57.6Low180 Ų18092.9 Ų92.978%0.78345%0.446SS*.SBendtrans-128.8-9.4-166.3-68.1-173.3177.1-178.50116.5V190 V191V190-K193 PolarHBondContact O-N 3.39Å; V191-K193 PolarHBondContact O-N 3.39Å
194K55.7Low56.3Low96 Ų9697.5 Ų97.542%0.41747%0.469SS..SBendtrans-148.6171.6-171.3-64.6-169.1-177.5-179.90113.9L198 T199 E202K194-L198 HydrophobicContact CB-CB 4.07Å; K194-L198 HydrophobicContact CD-CB 4.17Å; K194-T199 PolarHBondContact O-OG1 3.25Å; K194-E202 VanDerWaalsContact CD-OE2 3.22Å; K194-E202 WeakPolarHBondContact CD-OE2 3.44Å; K194-E202 VanDerWaalsContact CE-OE2 3.25Å; K194-E202 WeakPolarHBondContact CE-OE2 3.39Å; K194-E202 IonicContact NZ-OE1 2.77Å; K194-E202 PolarHBondContact NZ-OE1 2.83Å; K194-E202 IonicContact NZ-OE2 2.84Å; K194-E202 PolarHBondContact NZ-OE2 3.38Å
195T59.8Low56.4Low86 Ų8691.5 Ų91.553%0.52844%0.438SS..  trans-63.615617167.50000110.5F197 L198 T199T195-F197 VanDerWaalsContact C-N 3.27Å; T195-F197 PolarHBondContact O-N 2.94Å; T195-L198 PolarHBondContact O-N 3.24Å; T195-L198 WeakPolarHBondContact OG1-CD1 3.44Å; T195-T199 VanDerWaalsContact O-CB 3.25Å; T195-T199 WeakPolarHBondContact O-CB 3.35Å; T195-T199 PolarHBondContact O-N 3.4Å; T195-T199 PolarHBondContact O-OG1 2.93Å
196L48.4Very low57.5Low126 Ų12686.8 Ų86.866%0.6642%0.421SS*.Hα-helixtrans-57.5-38-175.8-173.663.9000113.2T199 M200L196-T199 PolarHBondContact O-N 3.06Å; L196-M200 PolarHBondContact O-N 3.3Å
197F50.7Low59.1Low119 Ų11980.3 Ų80.352%0.52239%0.393SS..Hα-helixtrans-66.5-51.6177.7-178.8-96.9000112.3L17 T195 T199 M200 Q201L17-F197 HydrophobicContact CB-CZ 4.43Å; L17-F197 WeakPolarHBondContact O-CZ 3.36Å; T195-F197 VanDerWaalsContact C-N 3.27Å; T195-F197 PolarHBondContact O-N 2.94Å; F197-T199 PolarHBondContact O-N 2.99Å; F197-M200 PolarHBondContact O-N 2.87Å; F197-Q201 PolarHBondContact O-N 2.78Å
198L56.7Low60.9Low66 Ų6676.7 Ų76.735%0.34638%0.378SS..Hα-helixtrans-62.4-34.7175.8-73.6167.1000111.7K194 T195 E202K194-L198 HydrophobicContact CB-CB 4.07Å; K194-L198 HydrophobicContact CD-CB 4.17Å; T195-L198 PolarHBondContact O-N 3.24Å; T195-L198 WeakPolarHBondContact OG1-CD1 3.44Å; L198-E202 WeakPolarHBondContact O-CB 3.44Å; L198-E202 WeakPolarHBondContact O-CG 3.5Å; L198-E202 PolarHBondContact O-N 2.98Å
199T53.5Low62.8Low1 Ų170.5 Ų70.51%0.00635%0.349CS..Hα-helixtrans-65.8-42.5176.2-59.40000111.4F187 V190 V191 K194 T195 L196 F197 F203F187-T199 HydrophobicContact CE2-CG2 4.35Å; V190-T199 HydrophobicContact CB-CG2 4.16Å; V190-T199 HydrophobicContact CG1-CG2 3.83Å; V191-T199 HydrophobicContact CB-CG2 4.24Å; V191-T199 HydrophobicContact CG2-CG2 3.67Å; K194-T199 PolarHBondContact O-OG1 3.25Å; T195-T199 VanDerWaalsContact O-CB 3.25Å; T195-T199 WeakPolarHBondContact O-CB 3.35Å; T195-T199 PolarHBondContact O-N 3.4Å; T195-T199 PolarHBondContact O-OG1 2.93Å; L196-T199 PolarHBondContact O-N 3.06Å; F197-T199 PolarHBondContact O-N 2.99Å; T199-F203 WeakPolarHBondContact O-CB 3.49Å; T199-F203 PolarHBondContact O-N 2.86Å
200M50.1Low64.7Low94 Ų9467.2 Ų67.246%0.46333%0.33SS..Hα-helixtrans-70.1-40.8177.1-90.8168.953.900112.3L196 F197 F203 L204L196-M200 PolarHBondContact O-N 3.3Å; F197-M200 PolarHBondContact O-N 2.87Å; M200-F203 PolarHBondContact O-N 3.44Å; M200-L204 VanDerWaalsContact O-CB 3.29Å; M200-L204 WeakPolarHBondContact O-CB 3.3Å; M200-L204 PolarHBondContact O-N 2.9Å
201Q58.5Low66.7Low44 Ų4466.3 Ų66.321%0.20633%0.325CS..Hα-helixtrans-66-42.5177.5-167.21784.500111.6E18 F197 G205E18-Q201 PolarHBondContact OE1-NE2 2.77Å; F197-Q201 PolarHBondContact O-N 2.78Å; Q201-G205 CarbonylContact O-C 3.48Å; Q201-G205 VanDerWaalsContact O-CA 3.26Å; Q201-G205 WeakPolarHBondContact O-CA 3.43Å; Q201-G205 PolarHBondContact O-N 3.43Å
202E57.2Low68.6Low59 Ų5963.8 Ų63.828%0.27631%0.309SS..Hα-helixtrans-71-35.4174.4-75.5-165.4148.300113V190 K194 L198 C206 I209V190-E202 HydrophobicContact CG1-CB 4.2Å; K194-E202 VanDerWaalsContact CD-OE2 3.22Å; K194-E202 WeakPolarHBondContact CD-OE2 3.44Å; K194-E202 VanDerWaalsContact CE-OE2 3.25Å; K194-E202 WeakPolarHBondContact CE-OE2 3.39Å; K194-E202 IonicContact NZ-OE1 2.77Å; K194-E202 PolarHBondContact NZ-OE1 2.83Å; K194-E202 IonicContact NZ-OE2 2.84Å; K194-E202 PolarHBondContact NZ-OE2 3.38Å; L198-E202 WeakPolarHBondContact O-CB 3.44Å; L198-E202 WeakPolarHBondContact O-CG 3.5Å; L198-E202 PolarHBondContact O-N 2.98Å; E202-C206 WeakPolarHBondContact O-CA 3.29Å; E202-C206 WeakPolarHBondContact O-CB 3.47Å; E202-C206 PolarHBondContact O-N 3.15Å; E202-I209 HydrophobicContact CG-CD1 4.03Å
203F51.3Low70.6Confident78 Ų7857.8 Ų57.834%0.34228%0.283SS..Hα-helixtrans-76.4-40.6-178.4-179.8-107.3000113K185 F187 V190 T199 M200K185-F203 WeakPolarHBondContact O-CE2 3.42Å; F187-F203 HydrophobicContact CB-CD1 4.47Å; F187-F203 HydrophobicContact CB-CD2 4.09Å; F187-F203 HydrophobicContact CB-CE1 4.01Å; F187-F203 HydrophobicContact CB-CE2 3.61Å; F187-F203 HydrophobicContact CB-CG 4.5Å; F187-F203 HydrophobicContact CB-CZ 3.56Å; F187-F203 HydrophobicContact CD2-CB 4.17Å; F187-F203 AromaticContact CD2-CD1 3.41Å; F187-F203 HydrophobicContact CD2-CD1 3.41Å; F187-F203 VanDerWaalsContact CD2-CD1 3.41Å; F187-F203 AromaticContact CD2-CD2 3.96Å; F187-F203 HydrophobicContact CD2-CD2 3.96Å; F187-F203 AromaticContact CD2-CE1 3.67Å; F187-F203 HydrophobicContact CD2-CE1 3.67Å; F187-F203 HydrophobicContact CD2-CE2 4.21Å; F187-F203 AromaticContact CD2-CG 3.56Å; F187-F203 HydrophobicContact CD2-CG 3.56Å; F187-F203 HydrophobicContact CD2-CZ 4.07Å; F187-F203 HydrophobicContact CE2-CD1 4.06Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 HydrophobicContact CG-CD1 4.35Å; F187-F203 HydrophobicContact CG-CE1 4.2Å; F187-F203 HydrophobicContact CG-CE2 4.43Å; F187-F203 HydrophobicContact CG-CZ 4.25Å; V190-F203 HydrophobicContact CG1-CB 4.4Å; V190-F203 HydrophobicContact CG2-CB 4.46Å; V190-F203 HydrophobicContact CG2-CD2 4.05Å; T199-F203 WeakPolarHBondContact O-CB 3.49Å; T199-F203 PolarHBondContact O-N 2.86Å; M200-F203 PolarHBondContact O-N 3.44Å
204L59.1Low72.8Confident114 Ų11449.2 Ų49.260%0.59725%0.246SC*.Hα-helixtrans-89-16.1-179.1-66.2167.3000112.9M200M200-L204 VanDerWaalsContact O-CB 3.29Å; M200-L204 WeakPolarHBondContact O-CB 3.3Å; M200-L204 PolarHBondContact O-N 2.9Å
205G73.8Confident74.8Confident7 Ų744.7 Ų44.77%0.07223%0.226CC..Hα-helixtrans-132.720.4-174.700000114.5Q201 N207 H208 I209Q201-G205 CarbonylContact O-C 3.48Å; Q201-G205 VanDerWaalsContact O-CA 3.26Å; Q201-G205 WeakPolarHBondContact O-CA 3.43Å; Q201-G205 PolarHBondContact O-N 3.43Å; G205-N207 VanDerWaalsContact C-N 3.29Å; G205-N207 PolarHBondContact O-N 3.28Å; G205-H208 CarbonylContact O-C 3.48Å; G205-H208 WeakPolarHBondContact O-CA 3.47Å; G205-H208 WeakPolarHBondContact O-CB 3.5Å; G205-H208 PolarHBondContact O-N 2.86Å; G205-I209 WeakPolarHBondContact O-CG1 3.45Å; G205-I209 WeakPolarHBondContact O-CG2 3.48Å; G205-I209 PolarHBondContact O-N 2.79Å
206C86.9Confident76.7Confident25 Ų2541.6 Ų41.617%0.16921%0.207CC..THydrogen-bonded Turntrans-51.8-48.6179.7-177.80000112.1C183 E202 H208 I209 R210C183-C206 WeakPolarHBondContact CA-SG 3.46Å; C183-C206 HydrophobicContact CB-CB 3.5Å; C183-C206 WeakPolarHBondContact CB-SG 3.2Å; C183-C206 WeakPolarHBondContact SG-CB 3.43Å; C183-C206 PolarHBondContact SG-O 3.07Å; C183-C206 CovalentContact SG-SG 2.05Å; C183-C206 PolarHBondContact SG-SG 3.3Å; E202-C206 WeakPolarHBondContact O-CA 3.29Å; E202-C206 WeakPolarHBondContact O-CB 3.47Å; E202-C206 PolarHBondContact O-N 3.15Å; C206-H208 VanDerWaalsContact C-N 3.34Å; C206-I209 WeakPolarHBondContact O-CG1 3.33Å; C206-I209 PolarHBondContact O-N 2.9Å; C206-R210 WeakPolarHBondContact O-CG 3.45Å; C206-R210 PolarHBondContact O-N 2.75Å
207N92.2Very high79Confident19 Ų1936.9 Ų36.910%0.10218%0.182CC..THydrogen-bonded Turntrans-59.8-47.6175.1-76.6-31.7000110.3T151 D152 F178 N180 C183 G205 I209 R210T151-N207 WeakPolarHBondContact CB-O 3.43Å; T151-N207 WeakPolarHBondContact O-CB 3.43Å; T151-N207 PolarHBondContact OG1-O 3.12Å; D152-N207 HydrophobicContact CB-CB 3.73Å; D152-N207 WeakPolarHBondContact OD1-CB 3.47Å; F178-N207 PolarHBondContact O-ND2 2.99Å; N180-N207 WeakPolarHBondContact CB-OD1 3.14Å; N180-N207 PolarHBondContact N-OD1 2.92Å; N180-N207 PolarHBondContact ND2-OD1 3.47Å; C183-N207 WeakPolarHBondContact CB-OD1 3.45Å; C183-N207 PolarHBondContact SG-N 3.11Å; G205-N207 VanDerWaalsContact C-N 3.29Å; G205-N207 PolarHBondContact O-N 3.28Å; N207-I209 VanDerWaalsContact C-N 3.27Å; N207-I209 PolarHBondContact O-N 3.38Å; N207-R210 VanDerWaalsContact O-CB 3.32Å; N207-R210 WeakPolarHBondContact O-CB 3.35Å; N207-R210 PolarHBondContact O-N 3.28Å
208H93.9Very high81.3Confident15 Ų1531.4 Ų31.47%0.06916%0.158CC..THydrogen-bonded Turntrans-59.2-35.1-178.8-164.451.6000113.8H94 S95 D123 D152 L161 G205 C206 S211H94-H208 AromaticContact CE1-CD2 3.73Å; H94-H208 AromaticContact CE1-NE2 3.79Å; H94-H208 AromaticContact NE2-CD2 3.91Å; H94-H208 AromaticContact NE2-NE2 3.98Å; H94-H208 PolarHBondContact NE2-O 2.81Å; S95-H208 WeakPolarHBondContact CB-NE2 3.32Å; S95-H208 PolarHBondContact OG-NE2 2.51Å; D123-H208 PolarHBondContact O-CE1 3.09Å; D123-H208 WeakPolarHBondContact OD2-CA 3.47Å; D123-H208 IonicContact OD2-CE1 2.76Å; D123-H208 IonicContact OD2-CG 2.83Å; D123-H208 IonicContact OD2-ND1 2.59Å; D123-H208 PolarHBondContact OD2-ND1 2.78Å; D152-H208 HydrophobicContact CB-CB 4.17Å; L161-H208 HydrophobicContact CB-CB 4.46Å; L161-H208 HydrophobicContact CD1-CB 4.11Å; G205-H208 CarbonylContact O-C 3.48Å; G205-H208 WeakPolarHBondContact O-CA 3.47Å; G205-H208 WeakPolarHBondContact O-CB 3.5Å; G205-H208 PolarHBondContact O-N 2.86Å; C206-H208 VanDerWaalsContact C-N 3.34Å; H208-S211 PolarHBondContact O-OG 3.03Å
209I93Very high83.3Confident13 Ų1328.3 Ų28.37%0.06714%0.142CC..THydrogen-bonded Turntrans-85.3-1.5177.769.1165.3000113.5E202 G205 C206 N207 Q212 Q213E202-I209 HydrophobicContact CG-CD1 4.03Å; G205-I209 WeakPolarHBondContact O-CG1 3.45Å; G205-I209 WeakPolarHBondContact O-CG2 3.48Å; G205-I209 PolarHBondContact O-N 2.79Å; C206-I209 WeakPolarHBondContact O-CG1 3.33Å; C206-I209 PolarHBondContact O-N 2.9Å; N207-I209 VanDerWaalsContact C-N 3.27Å; N207-I209 PolarHBondContact O-N 3.38Å; I209-Q212 HydrophobicContact CB-CG 4.41Å; I209-Q212 WeakPolarHBondContact O-CG 3.5Å; I209-Q213 WeakPolarHBondContact O-CG 3.49Å
210R96.3Very high85.2Confident15 Ų1531.2 Ų31.26%0.05717%0.172CC..Hα-helixtrans-71.1-36177.7-77.7-53-162.9-171.47112.3T151 N180 P181 C206 N207 Q212 Q213 Y214 D286T151-R210 HydrophobicContact CG2-CB 3.81Å; N180-R210 HydrophobicContact CB-CB 4.49Å; N180-R210 HydrophobicContact CB-CG 3.67Å; P181-R210 PolarHBondContact O-NH2 3.45Å; C206-R210 WeakPolarHBondContact O-CG 3.45Å; C206-R210 PolarHBondContact O-N 2.75Å; N207-R210 VanDerWaalsContact O-CB 3.32Å; N207-R210 WeakPolarHBondContact O-CB 3.35Å; N207-R210 PolarHBondContact O-N 3.28Å; R210-Q212 VanDerWaalsContact C-N 3.34Å; R210-Q212 PolarHBondContact O-N 2.82Å; R210-Q213 WeakPolarHBondContact O-CA 3.21Å; R210-Q213 WeakPolarHBondContact O-CB 3.42Å; R210-Q213 PolarHBondContact O-N 3.14Å; R210-Y214 HydrophobicContact CB-CD2 4.12Å; R210-Y214 HydrophobicContact CB-CE1 4.36Å; R210-Y214 HydrophobicContact CB-CE2 3.6Å; R210-Y214 HydrophobicContact CG-CE2 4.25Å; R210-Y214 WeakPolarHBondContact O-CD2 2.93Å; R210-Y214 VanDerWaalsContact O-CG 3.25Å; R210-Y214 PolarHBondContact O-N 3.06Å; R210-D286 PolarHBondContact NH2-O 3.18Å
211S97.9Very high87.1Confident0 Ų028.4 Ų28.40%016%0.161CC..Hα-helixtrans-53.4-49180550000112.2D123 T151 H208 Q213 Y214 F215D123-S211 WeakPolarHBondContact CB-OG 3.4Å; T151-S211 WeakPolarHBondContact OG1-CB 3.45Å; T151-S211 PolarHBondContact OG1-N 2.93Å; H208-S211 PolarHBondContact O-OG 3.03Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.27Å; S211-Y214 PolarHBondContact O-N 2.83Å; S211-F215 WeakPolarHBondContact O-CB 3.44Å; S211-F215 PolarHBondContact O-N 2.87Å
212Q97.1Very high88.5Confident16 Ų1634.2 Ų34.28%0.07519%0.189CC..Hα-helixtrans-63.1-35.1174.657.4171.427.200113.8W24 M28 L122 I209 R210 T216W24-Q212 HydrophobicContact CD2-CB 4.4Å; W24-Q212 VanDerWaalsContact CE2-OE1 3.23Å; W24-Q212 HydrophobicContact CE3-CB 4.24Å; W24-Q212 VanDerWaalsContact NE1-OE1 3.09Å; M28-Q212 HydrophobicContact CE-CB 4.37Å; L122-Q212 HydrophobicContact CD1-CB 4.3Å; I209-Q212 HydrophobicContact CB-CG 4.41Å; I209-Q212 WeakPolarHBondContact O-CG 3.5Å; R210-Q212 VanDerWaalsContact C-N 3.34Å; R210-Q212 PolarHBondContact O-N 2.82Å; Q212-T216 VanDerWaalsContact O-CB 3.27Å; Q212-T216 WeakPolarHBondContact O-CB 3.3Å; Q212-T216 PolarHBondContact O-N 2.74Å; Q212-T216 PolarHBondContact O-OG1 2.67Å
213Q97.5Very high90.1Very high40 Ų4031.8 Ų31.819%0.18718%0.178CC..Hα-helixtrans-73-43.1-178.9-73179.8-11.200111.1I209 R210 S211 E217 F290I209-Q213 WeakPolarHBondContact O-CG 3.49Å; R210-Q213 WeakPolarHBondContact O-CA 3.21Å; R210-Q213 WeakPolarHBondContact O-CB 3.42Å; R210-Q213 PolarHBondContact O-N 3.14Å; S211-Q213 VanDerWaalsContact C-N 3.34Å; S211-Q213 PolarHBondContact O-N 3.27Å; Q213-E217 WeakPolarHBondContact O-CB 3.43Å; Q213-E217 PolarHBondContact O-N 3.03Å; Q213-F290 HydrophobicContact CB-CD2 4.31Å; Q213-F290 HydrophobicContact CB-CE2 3.75Å; Q213-F290 HydrophobicContact CB-CZ 4.49Å; Q213-F290 HydrophobicContact CG-CE2 4.41Å
214Y98.6Very high92.1Very high0 Ų030 Ų300%017%0.174CC..Hα-helixtrans-65.2-46.8175.6-59.7-25.1000110.8T151 P174 N180 R210 S211 T216 E217 S218 F225 M254 T284 F290T151-Y214 HydrophobicContact CG2-CD2 3.92Å; T151-Y214 HydrophobicContact CG2-CE2 3.8Å; P174-Y214 HydrophobicContact CB-CD2 4.2Å; P174-Y214 HydrophobicContact CB-CE2 3.99Å; P174-Y214 HydrophobicContact CG-CD2 3.96Å; P174-Y214 HydrophobicContact CG-CE2 3.95Å; N180-Y214 PolarHBondContact OD1-OH 2.86Å; R210-Y214 HydrophobicContact CB-CD2 4.12Å; R210-Y214 HydrophobicContact CB-CE1 4.36Å; R210-Y214 HydrophobicContact CB-CE2 3.6Å; R210-Y214 HydrophobicContact CG-CE2 4.25Å; R210-Y214 WeakPolarHBondContact O-CD2 2.93Å; R210-Y214 VanDerWaalsContact O-CG 3.25Å; R210-Y214 PolarHBondContact O-N 3.06Å; S211-Y214 PolarHBondContact O-N 2.83Å; Y214-T216 PolarHBondContact O-N 2.86Å; Y214-E217 PolarHBondContact O-N 2.93Å; Y214-S218 WeakPolarHBondContact O-CB 3.37Å; Y214-S218 PolarHBondContact O-N 2.84Å; Y214-F225 HydrophobicContact CD1-CE1 4.33Å; Y214-F225 HydrophobicContact CG-CE1 4.49Å; Y214-M254 HydrophobicContact CD2-CE 4.21Å; Y214-M254 HydrophobicContact CG-CE 4.22Å; Y214-T284 HydrophobicContact CE1-CG2 4.27Å; Y214-T284 HydrophobicContact CE2-CG2 4.24Å; Y214-T284 PolarHBondContact OH-OG1 3.36Å; Y214-F290 HydrophobicContact CD1-CB 3.71Å; Y214-F290 AromaticContact CD1-CD2 3.88Å; Y214-F290 HydrophobicContact CD1-CD2 3.88Å; Y214-F290 AromaticContact CD1-CG 3.81Å; Y214-F290 HydrophobicContact CD1-CG 3.81Å; Y214-F290 HydrophobicContact CE1-CB 3.63Å; Y214-F290 AromaticContact CE1-CD1 3.94Å; Y214-F290 HydrophobicContact CE1-CD1 3.94Å; Y214-F290 HydrophobicContact CE1-CD2 4.05Å; Y214-F290 AromaticContact CE1-CG 3.6Å; Y214-F290 HydrophobicContact CE1-CG 3.6Å
215F98.7Very high93.9Very high1 Ų124.6 Ų24.60%0.00415%0.146CC..Hα-helixtrans-59.6-48.6176.6-169.6-82.5000111.4M28 H90 I92 T120 L122 S211 E217 S218 I219 Y256M28-F215 HydrophobicContact CE-CB 4.4Å; M28-F215 HydrophobicContact CE-CD1 3.84Å; M28-F215 HydrophobicContact CE-CG 4.48Å; M28-F215 HydrophobicContact SD-CD1 3.9Å; M28-F215 HydrophobicContact SD-CE1 4.19Å; H90-F215 AromaticContact CE1-CZ 3.95Å; I92-F215 HydrophobicContact CD1-CE1 3.7Å; I92-F215 HydrophobicContact CD1-CZ 3.87Å; I92-F215 HydrophobicContact CG1-CE1 4.49Å; I92-F215 HydrophobicContact CG1-CZ 4.34Å; T120-F215 HydrophobicContact CG2-CD2 3.86Å; T120-F215 HydrophobicContact CG2-CE2 3.66Å; L122-F215 HydrophobicContact CD1-CB 4.33Å; L122-F215 HydrophobicContact CD2-CB 3.69Å; L122-F215 HydrophobicContact CD2-CD2 3.85Å; L122-F215 HydrophobicContact CD2-CG 3.93Å; S211-F215 WeakPolarHBondContact O-CB 3.44Å; S211-F215 PolarHBondContact O-N 2.87Å; F215-E217 VanDerWaalsContact C-N 3.29Å; F215-E217 PolarHBondContact O-N 2.92Å; F215-S218 WeakPolarHBondContact O-CB 3.32Å; F215-S218 PolarHBondContact O-N 2.97Å; F215-S218 VanDerWaalsContact O-N 3.12Å; F215-S218 PolarHBondContact O-OG 2.97Å; F215-I219 HydrophobicContact CD1-CD1 4.45Å; F215-I219 HydrophobicContact CE1-CD1 4.37Å; F215-I219 HydrophobicContact CE1-CG1 4.35Å; F215-I219 PolarHBondContact O-N 3.27Å; F215-Y256 HydrophobicContact CZ-CD2 4.33Å
216T98.6Very high94.9Very high21 Ų2125.3 Ų25.313%0.12915%0.148CC..Hα-helixtrans-59.6-40.2179.5-57.70000112.1M28 A31 Q212 Y214M28-T216 HydrophobicContact CB-CG2 4.4Å; M28-T216 VanDerWaalsContact CE-OG1 3.28Å; M28-T216 WeakPolarHBondContact CE-OG1 3.21Å; A31-T216 HydrophobicContact CB-CG2 4.18Å; Q212-T216 VanDerWaalsContact O-CB 3.27Å; Q212-T216 WeakPolarHBondContact O-CB 3.3Å; Q212-T216 PolarHBondContact O-N 2.74Å; Q212-T216 PolarHBondContact O-OG1 2.67Å; Y214-T216 PolarHBondContact O-N 2.86Å
217E98.3Very high95.4Very high27 Ų2724.1 Ų24.113%0.12614%0.14CC..Hα-helixtrans-69.8-36.8177.1-169.6175.4128.600112.2Q213 Y214 F215 I219 G220 S221 F225 P289 F290 C291Q213-E217 WeakPolarHBondContact O-CB 3.43Å; Q213-E217 PolarHBondContact O-N 3.03Å; Y214-E217 PolarHBondContact O-N 2.93Å; F215-E217 VanDerWaalsContact C-N 3.29Å; F215-E217 PolarHBondContact O-N 2.92Å; E217-I219 PolarHBondContact O-N 3.38Å; E217-I219 VanDerWaalsContact O-N 3.16Å; E217-G220 PolarHBondContact O-N 3.02Å; E217-S221 WeakPolarHBondContact O-CB 3.44Å; E217-S221 PolarHBondContact O-N 3.05Å; E217-F225 HydrophobicContact CB-CE2 3.96Å; E217-F225 HydrophobicContact CB-CZ 3.88Å; E217-F225 HydrophobicContact CG-CE2 3.88Å; E217-F225 HydrophobicContact CG-CZ 3.92Å; E217-F225 WeakPolarHBondContact OE1-CZ 3.39Å; E217-P289 VanDerWaalsContact OE1-C 3.29Å; E217-P289 WeakPolarHBondContact OE1-CA 3.23Å; E217-P289 WeakPolarHBondContact OE1-CB 2.95Å; E217-P289 WeakPolarHBondContact OE2-CA 3.01Å; E217-F290 PolarHBondContact OE1-N 3.48Å; E217-F290 WeakPolarHBondContact OE2-CD2 3.49Å; E217-F290 PolarHBondContact OE2-N 3.43Å; E217-C291 PolarHBondContact OE1-N 3.41Å
218S98.3Very high95.6Very high5 Ų523.2 Ų23.24%0.03514%0.135CC..Hα-helixtrans-61.5-22.3179.9760000114.1Y214 F215 G220 M254 G255 Y256Y214-S218 WeakPolarHBondContact O-CB 3.37Å; Y214-S218 PolarHBondContact O-N 2.84Å; F215-S218 WeakPolarHBondContact O-CB 3.32Å; F215-S218 PolarHBondContact O-N 2.97Å; F215-S218 VanDerWaalsContact O-N 3.12Å; F215-S218 PolarHBondContact O-OG 2.97Å; S218-G220 PolarHBondContact O-N 3.34Å; S218-M254 WeakPolarHBondContact CB-O 3.37Å; S218-G255 WeakPolarHBondContact OG-CA 3.4Å; S218-Y256 PolarHBondContact OG-N 2.92Å
219I98.2Very high95.6Very high1 Ų123.5 Ų23.51%0.00514%0.138CC..THydrogen-bonded Turntrans-60.2-43.5-178.7-65164000111.5M28 A31 L32 H35 F215 E217 Y256M28-I219 HydrophobicContact CG-CD1 4.04Å; A31-I219 HydrophobicContact CB-CB 4.47Å; A31-I219 HydrophobicContact CB-CD1 3.73Å; A31-I219 HydrophobicContact CB-CG2 4.37Å; L32-I219 HydrophobicContact CD2-CD1 3.71Å; L32-I219 HydrophobicContact CD2-CG1 4.11Å; L32-I219 HydrophobicContact CG-CD1 3.82Å; H35-I219 HydrophobicContact CB-CG2 3.45Å; H35-I219 VanDerWaalsContact CB-CG2 3.45Å; H35-I219 PolarHBondContact CE1-O 3.48Å; H35-I219 PolarHBondContact ND1-O 3.38Å; F215-I219 HydrophobicContact CD1-CD1 4.45Å; F215-I219 HydrophobicContact CE1-CD1 4.37Å; F215-I219 HydrophobicContact CE1-CG1 4.35Å; F215-I219 PolarHBondContact O-N 3.27Å; E217-I219 PolarHBondContact O-N 3.38Å; E217-I219 VanDerWaalsContact O-N 3.16Å; I219-Y256 HydrophobicContact CB-CG 4.35Å; I219-Y256 HydrophobicContact CG1-CD2 3.97Å; I219-Y256 HydrophobicContact CG1-CG 3.99Å; I219-Y256 HydrophobicContact CG2-CG 4.43Å
220G93.4Very high95.6Very high61 Ų6123.5 Ų23.563%0.62914%0.139SC*.THydrogen-bonded Turntrans-129.211.8-17200000114.7E217 S218E217-G220 PolarHBondContact O-N 3.02Å; S218-G220 PolarHBondContact O-N 3.34Å
221S90.6Very high95.4Very high35 Ų3529.9 Ų29.925%0.24517%0.174CC..  trans-76.6139.3-176.2172.40000111.7E217 C223E217-S221 WeakPolarHBondContact O-CB 3.44Å; E217-S221 PolarHBondContact O-N 3.05Å; S221-C223 VanDerWaalsContact C-N 3.25Å; S221-C223 WeakPolarHBondContact CB-O 3.27Å; S221-C223 PolarHBondContact OG-N 3.36Å; S221-C223 PolarHBondContact OG-O 3.44Å
222Q87.9Confident95.2Very high166 Ų16631.4 Ų31.478%0.77619%0.185SC*.SBendtrans-71.7-24.7169.2-66.7-178.52.200112.1
223C90.6Very high95.1Very high9 Ų931.7 Ų31.76%0.06119%0.186CC..SBendtrans-86.5130.1171.7173.40000108.5S221 F225 C291 N363S221-C223 VanDerWaalsContact C-N 3.25Å; S221-C223 WeakPolarHBondContact CB-O 3.27Å; S221-C223 PolarHBondContact OG-N 3.36Å; S221-C223 PolarHBondContact OG-O 3.44Å; C223-F225 PolarHBondContact O-N 3.09Å; C223-C291 HydrophobicContact CB-CB 3.48Å; C223-C291 VanDerWaalsContact CB-CB 3.48Å; C223-C291 WeakPolarHBondContact CB-SG 3.47Å; C223-C291 PolarHBondContact O-SG 3.27Å; C223-C291 VanDerWaalsContact SG-C 3.51Å; C223-C291 WeakPolarHBondContact SG-CB 3.34Å; C223-C291 CovalentContact SG-SG 2.02Å; C223-C291 PolarHBondContact SG-SG 2.89Å; C223-N363 HydrophobicContact CB-CB 4.46Å
224P92.8Very high94.9Very high39 Ų3934.6 Ų34.625%0.25320%0.2SC..  trans-80.6-9-161.629.4-36.6000115.7L226 R253 E405P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 HydrophobicContact CG-CB 4.05Å; P224-L226 PolarHBondContact O-N 3.06Å; P224-R253 HydrophobicContact CB-CG 3.93Å; P224-R253 WeakPolarHBondContact O-CB 3.13Å; P224-R253 WeakPolarHBondContact O-CG 3.3Å; P224-E405 HydrophobicContact CG-CB 4.2Å; P224-E405 HydrophobicContact CG-CG 3.7Å
225F96.8Very high94.6Very high2 Ų235.2 Ų35.21%0.00920%0.204CC..  trans50.949.4-164.8-71.3-90.9000111.4Y214 E217 C223 G227 M254 L282 T284 F290 C291Y214-F225 HydrophobicContact CD1-CE1 4.33Å; Y214-F225 HydrophobicContact CG-CE1 4.49Å; E217-F225 HydrophobicContact CB-CE2 3.96Å; E217-F225 HydrophobicContact CB-CZ 3.88Å; E217-F225 HydrophobicContact CG-CE2 3.88Å; E217-F225 HydrophobicContact CG-CZ 3.92Å; E217-F225 WeakPolarHBondContact OE1-CZ 3.39Å; C223-F225 PolarHBondContact O-N 3.09Å; F225-G227 PolarHBondContact O-N 3.45Å; F225-M254 HydrophobicContact CB-CB 4.16Å; F225-M254 HydrophobicContact CB-CE 4.35Å; F225-M254 HydrophobicContact CD1-CE 3.72Å; F225-M254 HydrophobicContact CE1-CE 4.35Å; F225-M254 HydrophobicContact CG-CE 4.3Å; F225-M254 WeakPolarHBondContact O-CB 3.19Å; F225-M254 PolarHBondContact O-N 2.81Å; F225-L282 HydrophobicContact CB-CD1 4.09Å; F225-L282 HydrophobicContact CD1-CD1 4.32Å; F225-L282 WeakPolarHBondContact O-CD1 3.4Å; F225-T284 HydrophobicContact CD1-CG2 4.39Å; F225-T284 HydrophobicContact CE1-CG2 4.3Å; F225-F290 HydrophobicContact CE1-CB 4.27Å; F225-F290 HydrophobicContact CZ-CB 4.29Å; F225-C291 HydrophobicContact CD1-CB 4.15Å; F225-C291 HydrophobicContact CD2-CB 3.82Å; F225-C291 HydrophobicContact CE1-CB 3.85Å; F225-C291 HydrophobicContact CE2-CB 3.5Å; F225-C291 VanDerWaalsContact CE2-CB 3.5Å; F225-C291 HydrophobicContact CG-CB 4.15Å; F225-C291 HydrophobicContact CZ-CB 3.51Å; F225-C291 PolarHBondContact N-SG 3.31Å
226L96.5Very high94.4Very high21 Ų2135.1 Ų35.111%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-68.7119.5-175.9-16468000110.1P224 C251 R253 L282 H294 M404 E405P224-L226 VanDerWaalsContact C-N 3.28Å; P224-L226 HydrophobicContact CG-CB 4.05Å; P224-L226 PolarHBondContact O-N 3.06Å; L226-C251 HydrophobicContact CD1-CB 3.82Å; L226-C251 HydrophobicContact CD2-CB 4.18Å; L226-C251 HydrophobicContact CG-CB 4.01Å; L226-R253 HydrophobicContact CD1-CG 4.37Å; L226-L282 WeakPolarHBondContact O-CB 3.4Å; L226-H294 PolarHBondContact O-CE1 2.88Å; L226-M404 HydrophobicContact CD2-CE 4.13Å; L226-E405 HydrophobicContact CB-CG 3.71Å; L226-E405 HydrophobicContact CD2-CB 4.29Å; L226-E405 HydrophobicContact CD2-CG 3.69Å; L226-E405 HydrophobicContact CG-CG 4.35Å
227G96.8Very high94Very high0 Ų038.3 Ų38.30%022%0.215CC..EExtended strand (participates in β ladder)trans-101.1150.2168.400000111.1F225 C251 L252 Y281F225-G227 PolarHBondContact O-N 3.45Å; G227-C251 CarbonylContact O-C 3.53Å; G227-C251 WeakPolarHBondContact O-CA 3.23Å; G227-L252 PolarHBondContact N-O 2.88Å; G227-L252 PolarHBondContact O-N 3.12Å; G227-Y281 VanDerWaalsContact CA-O 3.29Å; G227-Y281 WeakPolarHBondContact CA-O 3.42Å
228I95.6Very high93.6Very high0 Ų042.1 Ų42.10%024%0.237CC..EExtended strand (participates in β ladder)trans-123.7142179.6-174.3167.7000110.6F236 C241 H249 T250 F280 Y281 M404I228-F236 HydrophobicContact CG2-CD2 3.75Å; I228-F236 HydrophobicContact CG2-CE2 3.55Å; I228-C241 HydrophobicContact CD1-CB 4.14Å; I228-C241 HydrophobicContact CG1-CB 4.47Å; I228-H249 HydrophobicContact CD1-CB 4.07Å; I228-H249 HydrophobicContact CG1-CB 4.18Å; I228-T250 WeakPolarHBondContact CA-O 3.32Å; I228-F280 WeakPolarHBondContact O-CA 3.05Å; I228-Y281 PolarHBondContact N-O 2.02Å; I228-Y281 PolarHBondContact O-N 2.71Å; I228-M404 HydrophobicContact CB-CE 4.35Å; I228-M404 HydrophobicContact CD1-SD 3.96Å; I228-M404 HydrophobicContact CG2-CE 4.38Å
229T94.8Very high93.1Very high21 Ų2143 Ų4313%0.12924%0.242CC..EExtended strand (participates in β ladder)trans-69135.6171.359.90000111.2G248 H249 T250 V279 F280T229-G248 PolarHBondContact OG1-O 2.96Å; T229-H249 PolarHBondContact O-ND1 2.88Å; T229-H249 WeakPolarHBondContact OG1-CA 3.41Å; T229-T250 PolarHBondContact N-O 2.92Å; T229-T250 PolarHBondContact OG1-N 2.81Å; T229-V279 WeakPolarHBondContact CA-O 3.47Å; T229-F280 HydrophobicContact CG2-CD1 3.86Å; T229-F280 HydrophobicContact CG2-CE1 3.4Å; T229-F280 HydrophobicContact CG2-CE2 4.19Å; T229-F280 HydrophobicContact CG2-CG 4.43Å; T229-F280 HydrophobicContact CG2-CZ 3.56Å
230C93.3Very high92.8Very high13 Ų1349 Ų499%0.08827%0.268CS..  trans-151.2151.8177.1-155.30000109.7S232 S235 F236 C241 Y281C230-S232 PolarHBondContact O-N 2.92Å; C230-S232 VanDerWaalsContact O-N 3.16Å; C230-S235 VanDerWaalsContact SG-C 3.54Å; C230-S235 VanDerWaalsContact SG-CB 3.57Å; C230-F236 HydrophobicContact CB-CB 4.15Å; C230-F236 VanDerWaalsContact SG-CA 3.59Å; C230-F236 PolarHBondContact SG-N 2.9Å; C230-C241 WeakPolarHBondContact CA-SG 3.38Å; C230-C241 HydrophobicContact CB-CB 3.77Å; C230-C241 WeakPolarHBondContact CB-SG 3.34Å; C230-C241 WeakPolarHBondContact SG-CB 3.08Å; C230-C241 CovalentContact SG-SG 2.03Å; C230-C241 PolarHBondContact SG-SG 2.97Å; C230-Y281 HydrophobicContact CB-CD2 3.81Å; C230-Y281 HydrophobicContact CB-CE2 4.23Å
231D91.8Very high92.6Very high149 Ų14946.2 Ų46.280%0.79724%0.239SC*.SBendtrans-57.2-33.9-177.8-67.7-21000113.1
232S94Very high92.4Very high33 Ų3345.2 Ų45.223%0.23123%0.231CC..  trans-160.8166.2177.2680000110.5C230 E234 S235 F236C230-S232 PolarHBondContact O-N 2.92Å; C230-S232 VanDerWaalsContact O-N 3.16Å; S232-E234 PolarHBondContact O-N 2.75Å; S232-E234 PolarHBondContact OG-N 3.28Å; S232-S235 PolarHBondContact O-N 3.33Å; S232-S235 PolarHBondContact OG-N 3.05Å; S232-S235 VanDerWaalsContact OG-N 3.07Å; S232-S235 PolarHBondContact OG-OG 3.02Å; S232-F236 PolarHBondContact O-N 3.45Å
233F94.1Very high92.3Very high22 Ų2238.5 Ų38.510%0.09620%0.203CC..Hα-helixtrans-63.6-31.1172.3-174.9-125.3000112.4N175 G176 F236 K237 Y281 W283N175-F233 VanDerWaalsContact O-CZ 3.26Å; N175-F233 WeakPolarHBondContact O-CZ 3.49Å; G176-F233 VanDerWaalsContact CA-CD2 3.45Å; G176-F233 VanDerWaalsContact CA-CE2 3.45Å; G176-F233 VanDerWaalsContact N-CZ 3.33Å; F233-F236 AromaticContact CD2-CD1 3.85Å; F233-F236 HydrophobicContact CD2-CD1 3.85Å; F233-F236 AromaticContact CE2-CD1 3.78Å; F233-F236 HydrophobicContact CE2-CD1 3.78Å; F233-F236 HydrophobicContact CE2-CE1 4.25Å; F233-F236 PolarHBondContact O-N 2.88Å; F233-K237 HydrophobicContact CD1-CD 4.1Å; F233-K237 HydrophobicContact CE1-CD 3.75Å; F233-K237 HydrophobicContact CE1-CG 4.23Å; F233-K237 HydrophobicContact CE2-CG 4.38Å; F233-K237 HydrophobicContact CZ-CD 4.13Å; F233-K237 HydrophobicContact CZ-CG 4.15Å; F233-K237 WeakPolarHBondContact O-CE 3.32Å; F233-K237 WeakPolarHBondContact O-CG 3.34Å; F233-K237 PolarHBondContact O-N 3.46Å; F233-Y281 HydrophobicContact CB-CD1 3.97Å; F233-Y281 HydrophobicContact CB-CE1 3.65Å; F233-Y281 AromaticContact CD2-CD1 3.68Å; F233-Y281 HydrophobicContact CD2-CD1 3.68Å; F233-Y281 HydrophobicContact CD2-CE1 4.24Å; F233-Y281 HydrophobicContact CD2-CG 4.21Å; F233-Y281 HydrophobicContact CG-CD1 4.24Å; F233-Y281 HydrophobicContact CG-CE1 4.34Å; F233-W283 HydrophobicContact CE1-CH2 4.27Å; F233-W283 AromaticContact CE2-CH2 3.74Å; F233-W283 HydrophobicContact CE2-CH2 3.74Å; F233-W283 HydrophobicContact CE2-CZ2 4.08Å; F233-W283 HydrophobicContact CE2-CZ3 4.08Å; F233-W283 AromaticContact CZ-CH2 3.27Å; F233-W283 HydrophobicContact CZ-CH2 3.27Å; F233-W283 HydrophobicContact CZ-CZ2 4.05Å; F233-W283 AromaticContact CZ-CZ3 3.57Å; F233-W283 HydrophobicContact CZ-CZ3 3.57Å
234E93.4Very high92.1Very high101 Ų10140 Ų4047%0.47221%0.213SC..Hα-helixtrans-61.3-48.4171.1-76.557.5-133.800111.6S232 F236 K237 D238S232-E234 PolarHBondContact O-N 2.75Å; S232-E234 PolarHBondContact OG-N 3.28Å; E234-F236 VanDerWaalsContact C-N 3.26Å; E234-F236 PolarHBondContact O-N 3.09Å; E234-K237 PolarHBondContact O-N 2.95Å; E234-K237 IonicContact OE1-NZ 3.59Å; E234-K237 PolarHBondContact OE1-NZ 2.69Å; E234-D238 WeakPolarHBondContact O-CB 3.48Å; E234-D238 VanDerWaalsContact O-CG 3.25Å; E234-D238 PolarHBondContact O-N 3.38Å
235S93.4Very high91.6Very high12 Ų1246.1 Ų46.18%0.08424%0.238CC..Hα-helixtrans-61.4-36.3175.4-70.90000112.1C230 S232 D238 T239 K240C230-S235 VanDerWaalsContact SG-C 3.54Å; C230-S235 VanDerWaalsContact SG-CB 3.57Å; S232-S235 PolarHBondContact O-N 3.33Å; S232-S235 PolarHBondContact OG-N 3.05Å; S232-S235 VanDerWaalsContact OG-N 3.07Å; S232-S235 PolarHBondContact OG-OG 3.02Å; S235-D238 PolarHBondContact O-N 3.2Å; S235-T239 PolarHBondContact O-N 3.02Å; S235-K240 WeakPolarHBondContact O-CB 3.28Å; S235-K240 PolarHBondContact O-N 3.24Å
236F93.2Very high90.9Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-65.1-47.2174.8176.1-109.6000111.7I228 C230 S232 F233 E234 D238 T239 Y281 W283 H294 L358I228-F236 HydrophobicContact CG2-CD2 3.75Å; I228-F236 HydrophobicContact CG2-CE2 3.55Å; C230-F236 HydrophobicContact CB-CB 4.15Å; C230-F236 VanDerWaalsContact SG-CA 3.59Å; C230-F236 PolarHBondContact SG-N 2.9Å; S232-F236 PolarHBondContact O-N 3.45Å; F233-F236 AromaticContact CD2-CD1 3.85Å; F233-F236 HydrophobicContact CD2-CD1 3.85Å; F233-F236 AromaticContact CE2-CD1 3.78Å; F233-F236 HydrophobicContact CE2-CD1 3.78Å; F233-F236 HydrophobicContact CE2-CE1 4.25Å; F233-F236 PolarHBondContact O-N 2.88Å; E234-F236 VanDerWaalsContact C-N 3.26Å; E234-F236 PolarHBondContact O-N 3.09Å; F236-D238 VanDerWaalsContact C-N 3.27Å; F236-D238 PolarHBondContact O-N 2.88Å; F236-T239 PolarHBondContact O-N 3.39Å; F236-T239 VanDerWaalsContact O-N 3.12Å; F236-Y281 HydrophobicContact CB-CD2 4.37Å; F236-Y281 HydrophobicContact CB-CG 4.36Å; F236-Y281 HydrophobicContact CG-CG 4.43Å; F236-W283 HydrophobicContact CD1-CZ2 4.27Å; F236-W283 AromaticContact CE1-CD1 3.64Å; F236-W283 HydrophobicContact CE1-CD2 4.04Å; F236-W283 AromaticContact CE1-CE2 3.53Å; F236-W283 HydrophobicContact CE1-CG 4.1Å; F236-W283 HydrophobicContact CE1-CZ2 4.05Å; F236-W283 AromaticContact CE1-NE1 3.25Å; F236-W283 AromaticContact CZ-CD1 3.69Å; F236-W283 HydrophobicContact CZ-CG 4.37Å; F236-W283 AromaticContact CZ-NE1 3.66Å; F236-H294 AromaticContact CZ-CD2 3.9Å; F236-H294 AromaticContact CZ-NE2 3.82Å; F236-L358 HydrophobicContact CD2-CD2 4.38Å; F236-L358 HydrophobicContact CE2-CD2 3.71Å; F236-L358 HydrophobicContact CZ-CD2 4.22Å
237K90.6Very high90.2Very high87 Ų8754.3 Ų54.338%0.37829%0.287SS..Hα-helixtrans-58.5-39.1173.7-78177.9-61.4-1690112.4F233 E234 T239 W283F233-K237 HydrophobicContact CD1-CD 4.1Å; F233-K237 HydrophobicContact CE1-CD 3.75Å; F233-K237 HydrophobicContact CE1-CG 4.23Å; F233-K237 HydrophobicContact CE2-CG 4.38Å; F233-K237 HydrophobicContact CZ-CD 4.13Å; F233-K237 HydrophobicContact CZ-CG 4.15Å; F233-K237 WeakPolarHBondContact O-CE 3.32Å; F233-K237 WeakPolarHBondContact O-CG 3.34Å; F233-K237 PolarHBondContact O-N 3.46Å; E234-K237 PolarHBondContact O-N 2.95Å; E234-K237 IonicContact OE1-NZ 3.59Å; E234-K237 PolarHBondContact OE1-NZ 2.69Å; K237-T239 PolarHBondContact O-N 2.96Å; K237-W283 HydrophobicContact CD-CH2 4.35Å; K237-W283 HydrophobicContact CG-CH2 3.87Å; K237-W283 HydrophobicContact CG-CZ2 3.71Å
238D89.4Confident89.4Confident107 Ų10757.8 Ų57.857%0.57232%0.323SS*.THydrogen-bonded Turntrans-78.910.7-179.4-67.6-13.3000112.9E234 S235 F236 K240E234-D238 WeakPolarHBondContact O-CB 3.48Å; E234-D238 VanDerWaalsContact O-CG 3.25Å; E234-D238 PolarHBondContact O-N 3.38Å; S235-D238 PolarHBondContact O-N 3.2Å; F236-D238 VanDerWaalsContact C-N 3.27Å; F236-D238 PolarHBondContact O-N 2.88Å; D238-K240 VanDerWaalsContact C-N 3.26Å; D238-K240 HydrophobicContact CB-CG 4.29Å; D238-K240 PolarHBondContact O-N 3.09Å
239T88.5Confident89.1Confident25 Ų2559.4 Ų59.415%0.15333%0.331CS..THydrogen-bonded Turntrans61.435173.8-51.10000112.1S235 F236 K237 T242 A357 L358S235-T239 PolarHBondContact O-N 3.02Å; F236-T239 PolarHBondContact O-N 3.39Å; F236-T239 VanDerWaalsContact O-N 3.12Å; K237-T239 PolarHBondContact O-N 2.96Å; T239-T242 HydrophobicContact CG2-CG2 3.4Å; T239-T242 WeakPolarHBondContact O-CG2 3.34Å; T239-A357 WeakPolarHBondContact OG1-CA 3.42Å; T239-L358 HydrophobicContact CG2-CB 4.06Å; T239-L358 PolarHBondContact OG1-N 3.48Å
240K90.5Very high88.9Confident125 Ų12558.9 Ų58.954%0.54333%0.327SS..  trans-86.2-13.5175.3-60.3-174-172.71680113.8S235 D238S235-K240 WeakPolarHBondContact O-CB 3.28Å; S235-K240 PolarHBondContact O-N 3.24Å; D238-K240 VanDerWaalsContact C-N 3.26Å; D238-K240 HydrophobicContact CB-CG 4.29Å; D238-K240 PolarHBondContact O-N 3.09Å
241C90.7Very high89Confident3 Ų359 Ų592%0.0233%0.328CS..  trans-129.496.3-175.8-53.90000106.8I228 C230 H249I228-C241 HydrophobicContact CD1-CB 4.14Å; I228-C241 HydrophobicContact CG1-CB 4.47Å; C230-C241 WeakPolarHBondContact CA-SG 3.38Å; C230-C241 HydrophobicContact CB-CB 3.77Å; C230-C241 WeakPolarHBondContact CB-SG 3.34Å; C230-C241 WeakPolarHBondContact SG-CB 3.08Å; C230-C241 CovalentContact SG-SG 2.03Å; C230-C241 PolarHBondContact SG-SG 2.97Å; C241-H249 PolarHBondContact SG-CE1 2.93Å
242T85.7Confident89.2Confident14 Ų1451.9 Ų51.99%0.08629%0.29CS..  trans-128-6.5-165.473.20000115.6T239 E246 R296 M404T239-T242 HydrophobicContact CG2-CG2 3.4Å; T239-T242 WeakPolarHBondContact O-CG2 3.34Å; T242-E246 PolarHBondContact OG1-OE1 2.9Å; T242-R296 PolarHBondContact OG1-NH1 2.89Å; T242-M404 WeakPolarHBondContact O-CG 3.24Å
243S86.7Confident89.4Confident26 Ų2653.2 Ų53.218%0.18229%0.29CS..  trans-145.6145.2178.2178.50000110.6E245 H249S243-E245 PolarHBondContact O-N 3.37Å; S243-E245 PolarHBondContact OG-N 3.24Å; S243-E245 VanDerWaalsContact OG-N 3.13Å; S243-H249 WeakPolarHBondContact O-CB 3.26Å
244C85.9Confident89.6Confident40 Ų4052.3 Ų52.327%0.2729%0.286SS..SBendtrans-74.9-14.3173.3-52.30000112.8C251C244-C251 WeakPolarHBondContact CA-SG 3.25Å; C244-C251 HydrophobicContact CB-CB 3.71Å; C244-C251 WeakPolarHBondContact CB-SG 3.44Å; C244-C251 WeakPolarHBondContact SG-CB 3.49Å; C244-C251 CovalentContact SG-SG 2.03Å; C244-C251 PolarHBondContact SG-SG 3.2Å
245E82Confident89.8Confident168 Ų16847.5 Ų47.579%0.78526%0.263SS*.SBendtrans-94-12.7-178.8-58.8-178.9171.800112.5S243S243-E245 PolarHBondContact O-N 3.37Å; S243-E245 PolarHBondContact OG-N 3.24Å; S243-E245 VanDerWaalsContact OG-N 3.13Å
246E83.1Confident90Very high66 Ų6647.5 Ų47.531%0.30826%0.262SS..SBendtrans-70.3133.5-179.9-82.1168.1-176.700110.4T242 G248 H249 R296T242-E246 PolarHBondContact OG1-OE1 2.9Å; E246-G248 PolarHBondContact O-N 3.46Å; E246-H249 PolarHBondContact O-N 2.77Å; E246-H249 IonicContact OE2-CD2 2.81Å; E246-R296 IonicContact OE1-NH1 3.36Å
247P79.9Confident90.2Very high129 Ų12949.3 Ų49.384%0.83827%0.27SS*.THydrogen-bonded Turntrans-55.4127.3-179.4-26.133.8000112.4
248G81.5Confident90.6Very high73 Ų7345.1 Ų45.175%0.75325%0.252SS*.THydrogen-bonded Turntrans90.9-3.3-178.700000114.7T229 E246T229-G248 PolarHBondContact OG1-O 2.96Å; E246-G248 PolarHBondContact O-N 3.46Å
249H88.1Confident90.9Very high34 Ų3443.4 Ų43.416%0.15724%0.24CC..  trans-107.4132.4171.2-61.4-54.9000110.9I228 T229 C241 S243 E246I228-H249 HydrophobicContact CD1-CB 4.07Å; I228-H249 HydrophobicContact CG1-CB 4.18Å; T229-H249 PolarHBondContact O-ND1 2.88Å; T229-H249 WeakPolarHBondContact OG1-CA 3.41Å; C241-H249 PolarHBondContact SG-CE1 2.93Å; S243-H249 WeakPolarHBondContact O-CB 3.26Å; E246-H249 PolarHBondContact O-N 2.77Å; E246-H249 IonicContact OE2-CD2 2.81Å
250T92.1Very high91.3Very high10 Ų1048 Ų486%0.06126%0.26CS..  trans-125.4141.9174.5-59.40000108.1I228 T229 Q265 L271 F280I228-T250 WeakPolarHBondContact CA-O 3.32Å; T229-T250 PolarHBondContact N-O 2.92Å; T229-T250 PolarHBondContact OG1-N 2.81Å; T250-Q265 HydrophobicContact CG2-CB 4.14Å; T250-Q265 HydrophobicContact CG2-CG 3.62Å; T250-L271 HydrophobicContact CG2-CD1 4.3Å; T250-L271 HydrophobicContact CG2-CD2 4.36Å; T250-L271 HydrophobicContact CG2-CG 4.17Å; T250-F280 HydrophobicContact CG2-CE1 4.45Å; T250-F280 WeakPolarHBondContact O-CE1 3.27Å
251C94.2Very high91.5Very high14 Ų1442.7 Ų42.710%0.09524%0.238CC..EExtended strand (participates in β ladder)trans-115.8140.3177.3-65.90000111.2L226 G227 C244L226-C251 HydrophobicContact CD1-CB 3.82Å; L226-C251 HydrophobicContact CD2-CB 4.18Å; L226-C251 HydrophobicContact CG-CB 4.01Å; G227-C251 CarbonylContact O-C 3.53Å; G227-C251 WeakPolarHBondContact O-CA 3.23Å; C244-C251 WeakPolarHBondContact CA-SG 3.25Å; C244-C251 HydrophobicContact CB-CB 3.71Å; C244-C251 WeakPolarHBondContact CB-SG 3.44Å; C244-C251 WeakPolarHBondContact SG-CB 3.49Å; C244-C251 CovalentContact SG-SG 2.03Å; C244-C251 PolarHBondContact SG-SG 3.2Å
252L96Very high91.8Very high0 Ų043.1 Ų43.10%024%0.239CC..EExtended strand (participates in β ladder)trans-138.2146173.4-60.1-178.8000109.4V170 F172 G227 M254 D261 Q265 L271 F280V170-L252 HydrophobicContact CB-CD1 4.46Å; V170-L252 HydrophobicContact CG1-CD1 3.78Å; F172-L252 HydrophobicContact CE1-CB 4.09Å; F172-L252 HydrophobicContact CZ-CB 4.02Å; F172-L252 HydrophobicContact CZ-CD1 4.46Å; G227-L252 PolarHBondContact N-O 2.88Å; G227-L252 PolarHBondContact O-N 3.12Å; L252-M254 PolarHBondContact O-N 3.14Å; L252-D261 HydrophobicContact CB-CB 4.27Å; L252-D261 VanDerWaalsContact CD2-C 3.42Å; L252-D261 HydrophobicContact CD2-CB 3.37Å; L252-D261 WeakPolarHBondContact CD2-O 3.31Å; L252-D261 HydrophobicContact CG-CB 4.37Å; L252-Q265 HydrophobicContact CD2-CB 4.39Å; L252-Q265 HydrophobicContact CD2-CG 3.6Å; L252-L271 HydrophobicContact CD1-CD1 4.04Å; L252-L271 HydrophobicContact CD2-CD1 4.47Å; L252-F280 HydrophobicContact CB-CD1 4.24Å; L252-F280 HydrophobicContact CB-CE1 3.94Å; L252-F280 HydrophobicContact CB-CZ 4.28Å; L252-F280 HydrophobicContact CD1-CD2 4.37Å; L252-F280 HydrophobicContact CD1-CE1 3.79Å; L252-F280 HydrophobicContact CD1-CE2 3.59Å; L252-F280 HydrophobicContact CD1-CZ 3.25Å; L252-F280 HydrophobicContact CG-CD1 4.29Å; L252-F280 HydrophobicContact CG-CE1 3.51Å; L252-F280 HydrophobicContact CG-CE2 4.27Å; L252-F280 HydrophobicContact CG-CZ 3.51Å
253R97.8Very high92.2Very high62 Ų6246.6 Ų46.623%0.23425%0.254CS..EExtended strand (participates in β ladder)trans-71.3120.4169.6-64.6176.3-74.8170.6-0.4109.2P224 L226 H257 S258 E260 D261P224-R253 HydrophobicContact CB-CG 3.93Å; P224-R253 WeakPolarHBondContact O-CB 3.13Å; P224-R253 WeakPolarHBondContact O-CG 3.3Å; L226-R253 HydrophobicContact CD1-CG 4.37Å; R253-H257 HydrophobicContact CB-CB 4.04Å; R253-S258 VanDerWaalsContact O-CA 3.24Å; R253-S258 WeakPolarHBondContact O-CA 3.42Å; R253-S258 VanDerWaalsContact O-CB 3.23Å; R253-S258 WeakPolarHBondContact O-CB 3.32Å; R253-S258 PolarHBondContact O-N 3.2Å; R253-E260 IonicContact CZ-OE2 2.81Å; R253-E260 IonicContact NH2-OE2 3.84Å; R253-E260 PolarHBondContact NH2-OE2 2.84Å; R253-D261 WeakPolarHBondContact CB-OD2 3Å; R253-D261 WeakPolarHBondContact CG-OD2 3.43Å; R253-D261 IonicContact CZ-OD1 3.29Å; R253-D261 VanDerWaalsContact CZ-OD1 3.25Å; R253-D261 IonicContact CZ-OD2 2.77Å; R253-D261 PolarHBondContact N-OD2 2.87Å; R253-D261 IonicContact NE-OD1 2.93Å; R253-D261 PolarHBondContact NE-OD1 3.09Å; R253-D261 IonicContact NE-OD2 3.64Å; R253-D261 PolarHBondContact NE-OD2 2.79Å; R253-D261 IonicContact NH2-OD1 3.7Å; R253-D261 PolarHBondContact NH2-OD1 3.42Å; R253-D261 IonicContact NH2-OD2 2.68Å
254M98.4Very high92.5Very high2 Ų250.4 Ų50.41%0.0127%0.269CS..SBendtrans-68.6137.3172.1-178.5-173.673.300110.2V149 F172 P174 Y214 S218 F225 L252 L282V149-M254 HydrophobicContact CG1-SD 3.77Å; V149-M254 HydrophobicContact CG2-CG 3.92Å; V149-M254 HydrophobicContact CG2-SD 4.14Å; F172-M254 HydrophobicContact CB-CB 4.35Å; F172-M254 HydrophobicContact CB-CG 3.66Å; F172-M254 HydrophobicContact CB-SD 3.73Å; F172-M254 HydrophobicContact CD1-CB 3.53Å; F172-M254 HydrophobicContact CD1-CG 3.79Å; F172-M254 HydrophobicContact CD2-CB 4.36Å; F172-M254 HydrophobicContact CD2-CG 3.93Å; F172-M254 HydrophobicContact CE1-CB 3.82Å; F172-M254 HydrophobicContact CE1-CG 4.41Å; F172-M254 HydrophobicContact CG-CB 3.84Å; F172-M254 HydrophobicContact CG-CG 3.53Å; F172-M254 HydrophobicContact CG-SD 4.26Å; F172-M254 HydrophobicContact CZ-CB 4.35Å; P174-M254 HydrophobicContact CB-CE 4.45Å; P174-M254 HydrophobicContact CB-SD 4.21Å; P174-M254 HydrophobicContact CG-CE 4.48Å; P174-M254 HydrophobicContact CG-SD 3.93Å; Y214-M254 HydrophobicContact CD2-CE 4.21Å; Y214-M254 HydrophobicContact CG-CE 4.22Å; S218-M254 WeakPolarHBondContact CB-O 3.37Å; F225-M254 HydrophobicContact CB-CB 4.16Å; F225-M254 HydrophobicContact CB-CE 4.35Å; F225-M254 HydrophobicContact CD1-CE 3.72Å; F225-M254 HydrophobicContact CE1-CE 4.35Å; F225-M254 HydrophobicContact CG-CE 4.3Å; F225-M254 WeakPolarHBondContact O-CB 3.19Å; F225-M254 PolarHBondContact O-N 2.81Å; L252-M254 PolarHBondContact O-N 3.14Å; M254-L282 HydrophobicContact CB-CD1 4.07Å; M254-L282 HydrophobicContact CE-CD1 3.96Å; M254-L282 HydrophobicContact SD-CD1 4.1Å; M254-L282 HydrophobicContact SD-CD2 3.9Å
255G98.2Very high92.8Very high0 Ų049.7 Ų49.70%026%0.262CS..SBendtrans94.9-134.5173.500000112.7R118 S218 H257 S258R118-G255 PolarHBondContact NH2-O 3.25Å; S218-G255 WeakPolarHBondContact OG-CA 3.4Å; G255-H257 VanDerWaalsContact C-N 3.26Å; G255-H257 PolarHBondContact O-N 2.88Å; G255-H257 VanDerWaalsContact O-N 3.09Å; G255-S258 WeakPolarHBondContact O-CB 3.34Å; G255-S258 PolarHBondContact O-N 3.2Å; G255-S258 VanDerWaalsContact O-N 3.12Å; G255-S258 PolarHBondContact O-OG 2.89Å
256Y98.4Very high93.2Very high12 Ų1242.9 Ų42.95%0.04723%0.232CC..THydrogen-bonded Turntrans-54.4-38.6-164.4-172.1-108.7000114.3K8 F10 L32 H35 E36 R118 F215 S218 I219K8-Y256 PolarHBondContact NZ-OH 3.28Å; F10-Y256 AromaticContact CE1-CE2 3.88Å; F10-Y256 HydrophobicContact CE1-CE2 3.88Å; F10-Y256 AromaticContact CZ-CE2 3.94Å; F10-Y256 HydrophobicContact CZ-CE2 3.94Å; F10-Y256 WeakPolarHBondContact CZ-OH 3.32Å; L32-Y256 HydrophobicContact CD2-CD2 3.77Å; L32-Y256 HydrophobicContact CD2-CE2 3.45Å; L32-Y256 VanDerWaalsContact CD2-CE2 3.45Å; H35-Y256 AromaticContact CD2-CE1 3.34Å; H35-Y256 WeakPolarHBondContact CD2-CE1 3.47Å; H35-Y256 AromaticContact CD2-CZ 3.97Å; H35-Y256 AromaticContact NE2-CD1 3.89Å; H35-Y256 AromaticContact NE2-CE1 3.44Å; H35-Y256 WeakPolarHBondContact NE2-CE1 3.2Å; E36-Y256 PolarHBondContact OE1-OH 3.31Å; R118-Y256 PolarHBondContact NH1-O 2.76Å; F215-Y256 HydrophobicContact CZ-CD2 4.33Å; S218-Y256 PolarHBondContact OG-N 2.92Å; I219-Y256 HydrophobicContact CB-CG 4.35Å; I219-Y256 HydrophobicContact CG1-CD2 3.97Å; I219-Y256 HydrophobicContact CG1-CG 3.99Å; I219-Y256 HydrophobicContact CG2-CG 4.43Å
257H97.8Very high93.6Very high38 Ų3845.5 Ų45.518%0.17625%0.248CC..THydrogen-bonded Turntrans-89.9-0.5-174.3-61.3-75.2000115.2H35 R253 G255 Q259 E260 D261H35-H257 AromaticContact CE1-CE1 3.9Å; H35-H257 AromaticContact NE2-CE1 3.77Å; R253-H257 HydrophobicContact CB-CB 4.04Å; G255-H257 VanDerWaalsContact C-N 3.26Å; G255-H257 PolarHBondContact O-N 2.88Å; G255-H257 VanDerWaalsContact O-N 3.09Å; H257-Q259 VanDerWaalsContact C-N 3.28Å; H257-Q259 PolarHBondContact O-N 2.83Å; H257-E260 PolarHBondContact O-N 3.36Å; H257-D261 PolarHBondContact O-N 2.91Å
258S97.5Very high94.1Very high0 Ų044.3 Ų44.30%023%0.234CC..Hα-helixtrans-60.4-31.2-171.563.40000114.8R118 F145 D147 R253 G255 Y262R118-S258 PolarHBondContact NH2-OG 3.37Å; F145-S258 WeakPolarHBondContact CE1-OG 3.36Å; D147-S258 VanDerWaalsContact CG-OG 3.31Å; D147-S258 PolarHBondContact OD2-OG 2.8Å; R253-S258 VanDerWaalsContact O-CA 3.24Å; R253-S258 WeakPolarHBondContact O-CA 3.42Å; R253-S258 VanDerWaalsContact O-CB 3.23Å; R253-S258 WeakPolarHBondContact O-CB 3.32Å; R253-S258 PolarHBondContact O-N 3.2Å; G255-S258 WeakPolarHBondContact O-CB 3.34Å; G255-S258 PolarHBondContact O-N 3.2Å; G255-S258 VanDerWaalsContact O-N 3.12Å; G255-S258 PolarHBondContact O-OG 2.89Å; S258-Y262 VanDerWaalsContact O-CB 3.24Å; S258-Y262 WeakPolarHBondContact O-CB 3.45Å; S258-Y262 PolarHBondContact O-N 2.88Å
259Q96.6Very high94.4Very high70 Ų7043.5 Ų43.533%0.32723%0.226SC..Hα-helixtrans-69-41-180-175.3179.424.500112.7F145 H257 Y262 Q263F145-Q259 HydrophobicContact CB-CG 4.23Å; F145-Q259 HydrophobicContact CD1-CB 3.52Å; F145-Q259 HydrophobicContact CD1-CG 3.66Å; F145-Q259 HydrophobicContact CE1-CB 3.64Å; F145-Q259 HydrophobicContact CE1-CG 4.25Å; F145-Q259 HydrophobicContact CG-CB 4.37Å; F145-Q259 HydrophobicContact CG-CG 4.08Å; H257-Q259 VanDerWaalsContact C-N 3.28Å; H257-Q259 PolarHBondContact O-N 2.83Å; Q259-Y262 PolarHBondContact O-N 3.25Å; Q259-Q263 PolarHBondContact O-N 3.22Å
260E96.1Very high94.1Very high122 Ų12246.7 Ų46.757%0.5724%0.241SC*.Hα-helixtrans-61.9-51178.2179.2-179.7-154.500109.3R253 H257 Y262 Q263 E264R253-E260 IonicContact CZ-OE2 2.81Å; R253-E260 IonicContact NH2-OE2 3.84Å; R253-E260 PolarHBondContact NH2-OE2 2.84Å; H257-E260 PolarHBondContact O-N 3.36Å; E260-Y262 VanDerWaalsContact C-N 3.35Å; E260-Y262 PolarHBondContact O-N 2.69Å; E260-Q263 PolarHBondContact O-N 3.21Å; E260-E264 PolarHBondContact O-N 2.98Å; E260-E264 VanDerWaalsContact O-N 3.09Å
261D95.9Very high93.8Very high13 Ų1347.3 Ų47.37%0.0724%0.244CC..Hα-helixtrans-63.7-41.6179.8-59.5-6.6000111.2L252 R253 H257 Q263 E264 Q265L252-D261 HydrophobicContact CB-CB 4.27Å; L252-D261 VanDerWaalsContact CD2-C 3.42Å; L252-D261 HydrophobicContact CD2-CB 3.37Å; L252-D261 WeakPolarHBondContact CD2-O 3.31Å; L252-D261 HydrophobicContact CG-CB 4.37Å; R253-D261 WeakPolarHBondContact CB-OD2 3Å; R253-D261 WeakPolarHBondContact CG-OD2 3.43Å; R253-D261 IonicContact CZ-OD1 3.29Å; R253-D261 VanDerWaalsContact CZ-OD1 3.25Å; R253-D261 IonicContact CZ-OD2 2.77Å; R253-D261 PolarHBondContact N-OD2 2.87Å; R253-D261 IonicContact NE-OD1 2.93Å; R253-D261 PolarHBondContact NE-OD1 3.09Å; R253-D261 IonicContact NE-OD2 3.64Å; R253-D261 PolarHBondContact NE-OD2 2.79Å; R253-D261 IonicContact NH2-OD1 3.7Å; R253-D261 PolarHBondContact NH2-OD1 3.42Å; R253-D261 IonicContact NH2-OD2 2.68Å; H257-D261 PolarHBondContact O-N 2.91Å; D261-Q263 VanDerWaalsContact C-N 3.33Å; D261-Q263 PolarHBondContact O-N 2.91Å; D261-E264 PolarHBondContact O-N 2.94Å; D261-Q265 VanDerWaalsContact O-CG 3.29Å; D261-Q265 WeakPolarHBondContact O-CG 3.36Å; D261-Q265 PolarHBondContact O-N 2.98Å
262Y95.4Very high92.8Very high12 Ų1254.6 Ų54.65%0.04728%0.276CS..Hα-helixtrans-59.8-45.2178.5175.7-101.3000111.6F145 H169 V170 S258 Q259 E260 Q265 V266 L271F145-Y262 AromaticContact CD2-CD1 3.47Å; F145-Y262 HydrophobicContact CD2-CD1 3.47Å; F145-Y262 VanDerWaalsContact CD2-CD1 3.47Å; F145-Y262 AromaticContact CD2-CE1 3.86Å; F145-Y262 HydrophobicContact CD2-CE1 3.86Å; F145-Y262 AromaticContact CD2-CG 3.86Å; F145-Y262 HydrophobicContact CD2-CG 3.86Å; F145-Y262 AromaticContact CE2-CD1 3.47Å; F145-Y262 HydrophobicContact CE2-CD1 3.47Å; F145-Y262 VanDerWaalsContact CE2-CD1 3.47Å; F145-Y262 AromaticContact CE2-CD2 3.83Å; F145-Y262 HydrophobicContact CE2-CD2 3.83Å; F145-Y262 HydrophobicContact CE2-CE1 4.1Å; F145-Y262 HydrophobicContact CE2-CE2 4.42Å; F145-Y262 AromaticContact CE2-CG 3.31Å; F145-Y262 HydrophobicContact CE2-CG 3.31Å; F145-Y262 HydrophobicContact CZ-CD1 4.49Å; F145-Y262 HydrophobicContact CZ-CG 4.09Å; H169-Y262 HydrophobicContact CB-CE2 4.21Å; V170-Y262 HydrophobicContact CG1-CD2 3.58Å; V170-Y262 HydrophobicContact CG1-CE2 3.97Å; S258-Y262 VanDerWaalsContact O-CB 3.24Å; S258-Y262 WeakPolarHBondContact O-CB 3.45Å; S258-Y262 PolarHBondContact O-N 2.88Å; Q259-Y262 PolarHBondContact O-N 3.25Å; E260-Y262 VanDerWaalsContact C-N 3.35Å; E260-Y262 PolarHBondContact O-N 2.69Å; Y262-Q265 PolarHBondContact O-N 3.24Å; Y262-V266 HydrophobicContact CD1-CG2 4.18Å; Y262-V266 HydrophobicContact CD2-CG2 4.4Å; Y262-V266 HydrophobicContact CE1-CG2 3.72Å; Y262-V266 HydrophobicContact CE2-CG2 3.96Å; Y262-V266 HydrophobicContact CG-CG2 4.5Å; Y262-V266 WeakPolarHBondContact O-CG2 3.3Å; Y262-V266 PolarHBondContact O-N 2.68Å; Y262-L271 HydrophobicContact CD2-CD1 3.69Å; Y262-L271 HydrophobicContact CE2-CB 4.41Å; Y262-L271 HydrophobicContact CE2-CD1 4.03Å
263Q94.2Very high91.4Very high87 Ų8761.5 Ų61.541%0.40731%0.308SS..Hα-helixtrans-63.3-43.2179.1-172.960.455.300111.2Q259 E260 D261 Q265 V266 D267Q259-Q263 PolarHBondContact O-N 3.22Å; E260-Q263 PolarHBondContact O-N 3.21Å; D261-Q263 VanDerWaalsContact C-N 3.33Å; D261-Q263 PolarHBondContact O-N 2.91Å; Q263-Q265 VanDerWaalsContact C-N 3.34Å; Q263-Q265 PolarHBondContact O-N 3.47Å; Q263-V266 PolarHBondContact O-N 2.91Å; Q263-D267 PolarHBondContact NE2-OD1 2.98Å; Q263-D267 WeakPolarHBondContact O-CB 3.29Å; Q263-D267 PolarHBondContact O-N 2.99Å
264E93.8Very high89.9Confident107 Ų10760.2 Ų60.250%0.532%0.315SS..Hα-helixtrans-57.4-46.8175-177.5179.3-171.400111.5E260 D261 V266 D267 L268E260-E264 PolarHBondContact O-N 2.98Å; E260-E264 VanDerWaalsContact O-N 3.09Å; D261-E264 PolarHBondContact O-N 2.94Å; E264-V266 VanDerWaalsContact C-N 3.33Å; E264-V266 PolarHBondContact O-N 2.87Å; E264-D267 PolarHBondContact O-N 2.76Å; E264-L268 HydrophobicContact CG-CD1 4.13Å; E264-L268 VanDerWaalsContact O-CG 3.29Å; E264-L268 WeakPolarHBondContact O-CG 3.5Å; E264-L268 PolarHBondContact O-N 3.35Å
265Q91.9Very high88.2Confident25 Ų2567 Ų6712%0.11735%0.351CS..Hα-helixtrans-69.3-30.2-179.5-62.9-52.9-30.500113.3T250 L252 D261 Y262 Q263 G269 Q270 L271T250-Q265 HydrophobicContact CG2-CB 4.14Å; T250-Q265 HydrophobicContact CG2-CG 3.62Å; L252-Q265 HydrophobicContact CD2-CB 4.39Å; L252-Q265 HydrophobicContact CD2-CG 3.6Å; D261-Q265 VanDerWaalsContact O-CG 3.29Å; D261-Q265 WeakPolarHBondContact O-CG 3.36Å; D261-Q265 PolarHBondContact O-N 2.98Å; Y262-Q265 PolarHBondContact O-N 3.24Å; Q263-Q265 VanDerWaalsContact C-N 3.34Å; Q263-Q265 PolarHBondContact O-N 3.47Å; Q265-G269 PolarHBondContact O-N 2.86Å; Q265-Q270 HydrophobicContact CB-CB 4.49Å; Q265-Q270 PolarHBondContact O-N 3.43Å; Q265-L271 HydrophobicContact CB-CB 4.28Å; Q265-L271 HydrophobicContact CB-CD1 3.76Å; Q265-L271 HydrophobicContact CB-CG 3.87Å; Q265-L271 HydrophobicContact CG-CD1 4.46Å; Q265-L271 PolarHBondContact O-N 3.31Å; Q265-L271 VanDerWaalsContact O-N 3.1Å
266V91.1Very high87.2Confident25 Ų2571.9 Ų71.915%0.15239%0.385CS..Hα-helixtrans-68.2-44.3170.8167.90000110.9Y262 Q263 E264 L268 G269 L271 Q273Y262-V266 HydrophobicContact CD1-CG2 4.18Å; Y262-V266 HydrophobicContact CD2-CG2 4.4Å; Y262-V266 HydrophobicContact CE1-CG2 3.72Å; Y262-V266 HydrophobicContact CE2-CG2 3.96Å; Y262-V266 HydrophobicContact CG-CG2 4.5Å; Y262-V266 WeakPolarHBondContact O-CG2 3.3Å; Y262-V266 PolarHBondContact O-N 2.68Å; Q263-V266 PolarHBondContact O-N 2.91Å; E264-V266 VanDerWaalsContact C-N 3.33Å; E264-V266 PolarHBondContact O-N 2.87Å; V266-L268 VanDerWaalsContact C-N 3.26Å; V266-L268 PolarHBondContact O-N 2.84Å; V266-G269 WeakPolarHBondContact O-CA 3.39Å; V266-G269 PolarHBondContact O-N 2.87Å; V266-L271 HydrophobicContact CG2-CB 4.1Å; V266-Q273 HydrophobicContact CG1-CG 4.04Å; V266-Q273 HydrophobicContact CG2-CG 4.26Å
267D91.9Very high86.5Confident120 Ų12072.4 Ų72.464%0.64239%0.39SS*.Hα-helixtrans-64.5-32.5179.3-67.9-15.7000111.8Q263 E264 G269Q263-D267 PolarHBondContact NE2-OD1 2.98Å; Q263-D267 WeakPolarHBondContact O-CB 3.29Å; Q263-D267 PolarHBondContact O-N 2.99Å; E264-D267 PolarHBondContact O-N 2.76Å; D267-G269 VanDerWaalsContact C-N 3.26Å; D267-G269 PolarHBondContact O-N 3.22Å
268L89.6Confident86.1Confident104 Ų10471.3 Ų71.355%0.54539%0.389SS..THydrogen-bonded Turntrans-76.8-7.6172.1-67.3173.1000113.8E264 V266 Q270E264-L268 HydrophobicContact CG-CD1 4.13Å; E264-L268 VanDerWaalsContact O-CG 3.29Å; E264-L268 WeakPolarHBondContact O-CG 3.5Å; E264-L268 PolarHBondContact O-N 3.35Å; V266-L268 VanDerWaalsContact C-N 3.26Å; V266-L268 PolarHBondContact O-N 2.84Å; L268-Q270 HydrophobicContact CB-CG 4.04Å; L268-Q270 PolarHBondContact O-N 3.42Å
269G86.9Confident86Confident57 Ų5771.9 Ų71.959%0.58839%0.393SS*.THydrogen-bonded Turntrans70.615.1-176.700000114.5Q265 V266 D267Q265-G269 PolarHBondContact O-N 2.86Å; V266-G269 WeakPolarHBondContact O-CA 3.39Å; V266-G269 PolarHBondContact O-N 2.87Å; D267-G269 VanDerWaalsContact C-N 3.26Å; D267-G269 PolarHBondContact O-N 3.22Å
270Q83.1Confident86Confident101 Ų10168.6 Ų68.647%0.47238%0.377SS..SBendtrans-81.4-34.1177.8-62-164.410.100112.1Q265 L268Q265-Q270 HydrophobicContact CB-CB 4.49Å; Q265-Q270 PolarHBondContact O-N 3.43Å; L268-Q270 HydrophobicContact CB-CG 4.04Å; L268-Q270 PolarHBondContact O-N 3.42Å
271L84.2Confident86.1Confident23 Ų2363.8 Ų63.812%0.1235%0.354CS..SBendtrans-109.2135.8169.2-66.9178.6000109.8T250 L252 Y262 Q265 V266 F280T250-L271 HydrophobicContact CG2-CD1 4.3Å; T250-L271 HydrophobicContact CG2-CD2 4.36Å; T250-L271 HydrophobicContact CG2-CG 4.17Å; L252-L271 HydrophobicContact CD1-CD1 4.04Å; L252-L271 HydrophobicContact CD2-CD1 4.47Å; Y262-L271 HydrophobicContact CD2-CD1 3.69Å; Y262-L271 HydrophobicContact CE2-CB 4.41Å; Y262-L271 HydrophobicContact CE2-CD1 4.03Å; Q265-L271 HydrophobicContact CB-CB 4.28Å; Q265-L271 HydrophobicContact CB-CD1 3.76Å; Q265-L271 HydrophobicContact CB-CG 3.87Å; Q265-L271 HydrophobicContact CG-CD1 4.46Å; Q265-L271 PolarHBondContact O-N 3.31Å; Q265-L271 VanDerWaalsContact O-N 3.1Å; V266-L271 HydrophobicContact CG2-CB 4.1Å; L271-F280 HydrophobicContact CD1-CZ 4.27Å
272Q73.6Confident86.2Confident166 Ų16663.2 Ų63.278%0.77635%0.351SS*.  trans-94.6139.6173.2-63.6-168.7-2.800109.8G274Q272-G274 PolarHBondContact O-N 3.32Å
273Q68.1Low86.2Confident145 Ų14565.5 Ų65.568%0.67836%0.359SS*.SBendtrans-72.266162.6-68.9-178.4-3.700109.1V266V266-Q273 HydrophobicContact CG1-CG 4.04Å; V266-Q273 HydrophobicContact CG2-CG 4.26Å
274G65.5Low86.3Confident36 Ų3661.8 Ų61.837%0.37134%0.343SS..SBendtrans-114.6-168.2-174.600000113.2K140 Q272K140-G274 PolarHBondContact NZ-O 3.16Å; Q272-G274 PolarHBondContact O-N 3.32Å
275D61.7Low86.4Confident143 Ų14357 Ų5777%0.76532%0.322SS*.SBendtrans-80-22.1-177.1-76.9-32.7000116K140 P277K140-D275 VanDerWaalsContact NZ-CA 3.29Å; K140-D275 IonicContact NZ-OD1 2.81Å; K140-D275 PolarHBondContact NZ-OD1 3.06Å; D275-P277 WeakPolarHBondContact O-CD 3.48Å
276S78.2Confident86.4Confident103 Ų10359.7 Ų59.772%0.7234%0.337SS*.SBendtrans-94.7120.3-179.5-63.50000110.9
277P82.9Confident86.4Confident23 Ų2360.7 Ų60.715%0.14935%0.346CS..PPolyproline II helixtrans-64.3143.3175.5-23.536.4000111.6R166 G168 H169 D171 D275 V279R166-P277 HydrophobicContact CB-CB 4.02Å; R166-P277 HydrophobicContact CB-CG 3.71Å; G168-P277 VanDerWaalsContact O-CB 3.26Å; G168-P277 WeakPolarHBondContact O-CB 3.13Å; G168-P277 WeakPolarHBondContact O-CG 3.43Å; H169-P277 WeakPolarHBondContact O-CA 3.45Å; D171-P277 WeakPolarHBondContact OD2-CB 3.44Å; D275-P277 WeakPolarHBondContact O-CD 3.48Å; P277-V279 PolarHBondContact O-N 3.29Å
278G89.8Confident86.4Confident15 Ų1560.9 Ų60.916%0.15534%0.341CS..EExtended strand (participates in β ladder)trans-67.9128.1170.800000110.4H169 V170 D171 F280H169-G278 PolarHBondContact O-N 3.2Å; V170-G278 CarbonylContact C-O 3.53Å; V170-G278 VanDerWaalsContact CA-O 3.29Å; V170-G278 WeakPolarHBondContact CA-O 3.46Å; D171-G278 PolarHBondContact N-O 3.32Å; G278-F280 WeakPolarHBondContact O-CD2 3.32Å
279V95.2Very high86.6Confident13 Ų1359.3 Ų59.38%0.07934%0.337CS..EExtended strand (participates in β ladder)trans-107.6125.6-178.21790000109.9R166 D171 F173 T229 P277 Y281R166-V279 HydrophobicContact CG-CG2 4.27Å; D171-V279 WeakPolarHBondContact O-CA 3.25Å; F173-V279 HydrophobicContact CD2-CG1 3.79Å; F173-V279 HydrophobicContact CE2-CG1 3.9Å; T229-V279 WeakPolarHBondContact CA-O 3.47Å; P277-V279 PolarHBondContact O-N 3.29Å; V279-Y281 HydrophobicContact CG1-CE1 4.34Å; V279-Y281 HydrophobicContact CG1-CE2 3.79Å
280F97.3Very high87Confident0 Ų056.9 Ų56.90%031%0.31CS..EExtended strand (participates in β ladder)trans-123.8134.6-174-64.3-95000111.5V170 D171 F172 F173 I228 T229 T250 L252 L271 G278V170-F280 HydrophobicContact CB-CD2 4.21Å; V170-F280 HydrophobicContact CB-CE2 3.94Å; V170-F280 HydrophobicContact CG1-CE2 3.78Å; D171-F280 PolarHBondContact O-N 3.39Å; F172-F280 WeakPolarHBondContact CA-O 3.05Å; F172-F280 HydrophobicContact CD1-CB 3.44Å; F172-F280 VanDerWaalsContact CD1-CB 3.44Å; F172-F280 HydrophobicContact CD1-CD2 4.45Å; F172-F280 HydrophobicContact CD1-CG 4.08Å; F172-F280 HydrophobicContact CE1-CB 3.73Å; F172-F280 HydrophobicContact CE1-CD1 4.45Å; F172-F280 HydrophobicContact CE1-CD2 4.17Å; F172-F280 AromaticContact CE1-CG 3.87Å; F172-F280 HydrophobicContact CE1-CG 3.87Å; F172-F280 HydrophobicContact CG-CB 4.29Å; F173-F280 PolarHBondContact N-O 3.16Å; I228-F280 WeakPolarHBondContact O-CA 3.05Å; T229-F280 HydrophobicContact CG2-CD1 3.86Å; T229-F280 HydrophobicContact CG2-CE1 3.4Å; T229-F280 HydrophobicContact CG2-CE2 4.19Å; T229-F280 HydrophobicContact CG2-CG 4.43Å; T229-F280 HydrophobicContact CG2-CZ 3.56Å; T250-F280 HydrophobicContact CG2-CE1 4.45Å; T250-F280 WeakPolarHBondContact O-CE1 3.27Å; L252-F280 HydrophobicContact CB-CD1 4.24Å; L252-F280 HydrophobicContact CB-CE1 3.94Å; L252-F280 HydrophobicContact CB-CZ 4.28Å; L252-F280 HydrophobicContact CD1-CD2 4.37Å; L252-F280 HydrophobicContact CD1-CE1 3.79Å; L252-F280 HydrophobicContact CD1-CE2 3.59Å; L252-F280 HydrophobicContact CD1-CZ 3.25Å; L252-F280 HydrophobicContact CG-CD1 4.29Å; L252-F280 HydrophobicContact CG-CE1 3.51Å; L252-F280 HydrophobicContact CG-CE2 4.27Å; L252-F280 HydrophobicContact CG-CZ 3.51Å; L271-F280 HydrophobicContact CD1-CZ 4.27Å; G278-F280 WeakPolarHBondContact O-CD2 3.32Å
281Y97.5Very high87.6Confident21 Ų2152.3 Ų52.38%0.08229%0.289CS..EExtended strand (participates in β ladder)trans-115.1146.8176-59.4-75000110.8F173 G227 I228 C230 F233 F236 V279F173-Y281 HydrophobicContact CB-CD1 3.59Å; F173-Y281 HydrophobicContact CB-CE1 3.59Å; F173-Y281 HydrophobicContact CD2-CE1 4.33Å; F173-Y281 HydrophobicContact CG-CD1 4.49Å; F173-Y281 HydrophobicContact CG-CE1 4.04Å; G227-Y281 VanDerWaalsContact CA-O 3.29Å; G227-Y281 WeakPolarHBondContact CA-O 3.42Å; I228-Y281 PolarHBondContact N-O 2.02Å; I228-Y281 PolarHBondContact O-N 2.71Å; C230-Y281 HydrophobicContact CB-CD2 3.81Å; C230-Y281 HydrophobicContact CB-CE2 4.23Å; F233-Y281 HydrophobicContact CB-CD1 3.97Å; F233-Y281 HydrophobicContact CB-CE1 3.65Å; F233-Y281 AromaticContact CD2-CD1 3.68Å; F233-Y281 HydrophobicContact CD2-CD1 3.68Å; F233-Y281 HydrophobicContact CD2-CE1 4.24Å; F233-Y281 HydrophobicContact CD2-CG 4.21Å; F233-Y281 HydrophobicContact CG-CD1 4.24Å; F233-Y281 HydrophobicContact CG-CE1 4.34Å; F236-Y281 HydrophobicContact CB-CD2 4.37Å; F236-Y281 HydrophobicContact CB-CG 4.36Å; F236-Y281 HydrophobicContact CG-CG 4.43Å; V279-Y281 HydrophobicContact CG1-CE1 4.34Å; V279-Y281 HydrophobicContact CG1-CE2 3.79Å
282L97.4Very high88.2Confident1 Ų151.6 Ų51.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-157.2160.3177.265168.7000110P174 N175 F225 L226 M254P174-L282 CarbonylContact C-O 3.56Å; P174-L282 WeakPolarHBondContact CA-O 3.48Å; P174-L282 HydrophobicContact CB-CD2 3.86Å; P174-L282 HydrophobicContact CB-CG 4.1Å; N175-L282 PolarHBondContact N-O 3.34Å; F225-L282 HydrophobicContact CB-CD1 4.09Å; F225-L282 HydrophobicContact CD1-CD1 4.32Å; F225-L282 WeakPolarHBondContact O-CD1 3.4Å; L226-L282 WeakPolarHBondContact O-CB 3.4Å; M254-L282 HydrophobicContact CB-CD1 4.07Å; M254-L282 HydrophobicContact CE-CD1 3.96Å; M254-L282 HydrophobicContact SD-CD1 4.1Å; M254-L282 HydrophobicContact SD-CD2 3.9Å
283W96.4Very high89.1Confident60 Ų6044.3 Ų44.323%0.22725%0.251CS..  trans-101150.2169.8-65.5116.9000111.5N175 F233 F236 K237 H294 A360N175-W283 HydrophobicContact CB-CE3 4.13Å; N175-W283 HydrophobicContact CB-CZ3 4.2Å; F233-W283 HydrophobicContact CE1-CH2 4.27Å; F233-W283 AromaticContact CE2-CH2 3.74Å; F233-W283 HydrophobicContact CE2-CH2 3.74Å; F233-W283 HydrophobicContact CE2-CZ2 4.08Å; F233-W283 HydrophobicContact CE2-CZ3 4.08Å; F233-W283 AromaticContact CZ-CH2 3.27Å; F233-W283 HydrophobicContact CZ-CH2 3.27Å; F233-W283 HydrophobicContact CZ-CZ2 4.05Å; F233-W283 AromaticContact CZ-CZ3 3.57Å; F233-W283 HydrophobicContact CZ-CZ3 3.57Å; F236-W283 HydrophobicContact CD1-CZ2 4.27Å; F236-W283 AromaticContact CE1-CD1 3.64Å; F236-W283 HydrophobicContact CE1-CD2 4.04Å; F236-W283 AromaticContact CE1-CE2 3.53Å; F236-W283 HydrophobicContact CE1-CG 4.1Å; F236-W283 HydrophobicContact CE1-CZ2 4.05Å; F236-W283 AromaticContact CE1-NE1 3.25Å; F236-W283 AromaticContact CZ-CD1 3.69Å; F236-W283 HydrophobicContact CZ-CG 4.37Å; F236-W283 AromaticContact CZ-NE1 3.66Å; K237-W283 HydrophobicContact CD-CH2 4.35Å; K237-W283 HydrophobicContact CG-CH2 3.87Å; K237-W283 HydrophobicContact CG-CZ2 3.71Å; W283-H294 AromaticContact CD1-CD2 3.64Å; W283-H294 AromaticContact CD1-NE2 3.78Å; W283-H294 PolarHBondContact N-NE2 2.83Å; W283-A360 HydrophobicContact CB-CB 3.3Å; W283-A360 HydrophobicContact CG-CB 3.84Å
284T96.6Very high90.4Very high9 Ų937.4 Ų37.46%0.05522%0.219CC..BIsolated β-bridgetrans-134.8165.9173.767.80000110.3P174 N175 Y214 F225 F290P174-T284 HydrophobicContact CB-CG2 3.97Å; N175-T284 PolarHBondContact ND2-OG1 2.63Å; N175-T284 PolarHBondContact OD1-N 3.12Å; N175-T284 PolarHBondContact OD1-O 2.89Å; N175-T284 PolarHBondContact OD1-OG1 3.31Å; N175-T284 VanDerWaalsContact OD1-OG1 3.09Å; Y214-T284 HydrophobicContact CE1-CG2 4.27Å; Y214-T284 HydrophobicContact CE2-CG2 4.24Å; Y214-T284 PolarHBondContact OH-OG1 3.36Å; F225-T284 HydrophobicContact CD1-CG2 4.39Å; F225-T284 HydrophobicContact CE1-CG2 4.3Å; T284-F290 CarbonylContact C-O 3.53Å; T284-F290 WeakPolarHBondContact CA-O 3.47Å; T284-F290 WeakPolarHBondContact CB-O 3.38Å
285G94.8Very high91.7Very high6 Ų635.7 Ų35.76%0.06220%0.201CC..  trans-83173.4173.900000114.4F290 R292G285-F290 PolarHBondContact N-O 2.9Å; G285-R292 VanDerWaalsContact CA-CZ 3.49Å
286D92.7Very high93.2Very high82 Ų8231.7 Ų31.744%0.43918%0.175SC..SBendtrans-85.9-11.6179.572.1-12000114.5P181 R210P181-D286 HydrophobicContact CB-CB 3.73Å; P181-D286 WeakPolarHBondContact O-CA 3.46Å; R210-D286 PolarHBondContact NH2-O 3.18Å
287S91Very high93.9Very high47 Ų4726.8 Ų26.833%0.32914%0.141SC..SBendtrans-152.4154.9-171.152.40000110.4P289 F290S287-P289 CarbonylContact O-C 3.58Å; S287-F290 VanDerWaalsContact C-CD1 3.42Å; S287-F290 WeakPolarHBondContact O-CD1 3.25Å; S287-F290 PolarHBondContact O-N 3.39Å
288K91.4Very high94.6Very high124 Ų12425.9 Ų25.954%0.53914%0.135SC..SBendtrans-62.7141.5178.2-73.3-170.6175.8-174.20111.2F290K288-F290 HydrophobicContact CB-CE2 4.36Å; K288-F290 HydrophobicContact CB-CZ 4.45Å; K288-F290 HydrophobicContact CD-CE2 4.08Å; K288-F290 HydrophobicContact CG-CD2 3.76Å; K288-F290 HydrophobicContact CG-CE1 4.33Å; K288-F290 HydrophobicContact CG-CE2 3.18Å; K288-F290 HydrophobicContact CG-CZ 3.51Å
289P93.9Very high94.9Very high71 Ų7125.1 Ų25.146%0.46113%0.128SC..SBendcis-65.1132.3-13.528.4-33.3000110.4E217 S287 R292E217-P289 VanDerWaalsContact OE1-C 3.29Å; E217-P289 WeakPolarHBondContact OE1-CA 3.23Å; E217-P289 WeakPolarHBondContact OE1-CB 2.95Å; E217-P289 WeakPolarHBondContact OE2-CA 3.01Å; S287-P289 CarbonylContact O-C 3.58Å; P289-R292 PolarHBondContact O-NH1 2.96Å
290F96.3Very high95Very high6 Ų627.7 Ų27.73%0.02614%0.136CC..  trans-76.6-28.7-179.7-62.2-63.1000113Q213 Y214 E217 F225 T284 G285 S287 K288 R292Q213-F290 HydrophobicContact CB-CD2 4.31Å; Q213-F290 HydrophobicContact CB-CE2 3.75Å; Q213-F290 HydrophobicContact CB-CZ 4.49Å; Q213-F290 HydrophobicContact CG-CE2 4.41Å; Y214-F290 HydrophobicContact CD1-CB 3.71Å; Y214-F290 AromaticContact CD1-CD2 3.88Å; Y214-F290 HydrophobicContact CD1-CD2 3.88Å; Y214-F290 AromaticContact CD1-CG 3.81Å; Y214-F290 HydrophobicContact CD1-CG 3.81Å; Y214-F290 HydrophobicContact CE1-CB 3.63Å; Y214-F290 AromaticContact CE1-CD1 3.94Å; Y214-F290 HydrophobicContact CE1-CD1 3.94Å; Y214-F290 HydrophobicContact CE1-CD2 4.05Å; Y214-F290 AromaticContact CE1-CG 3.6Å; Y214-F290 HydrophobicContact CE1-CG 3.6Å; E217-F290 PolarHBondContact OE1-N 3.48Å; E217-F290 WeakPolarHBondContact OE2-CD2 3.49Å; E217-F290 PolarHBondContact OE2-N 3.43Å; F225-F290 HydrophobicContact CE1-CB 4.27Å; F225-F290 HydrophobicContact CZ-CB 4.29Å; T284-F290 CarbonylContact C-O 3.53Å; T284-F290 WeakPolarHBondContact CA-O 3.47Å; T284-F290 WeakPolarHBondContact CB-O 3.38Å; G285-F290 PolarHBondContact N-O 2.9Å; S287-F290 VanDerWaalsContact C-CD1 3.42Å; S287-F290 WeakPolarHBondContact O-CD1 3.25Å; S287-F290 PolarHBondContact O-N 3.39Å; K288-F290 HydrophobicContact CB-CE2 4.36Å; K288-F290 HydrophobicContact CB-CZ 4.45Å; K288-F290 HydrophobicContact CD-CE2 4.08Å; K288-F290 HydrophobicContact CG-CD2 3.76Å; K288-F290 HydrophobicContact CG-CE1 4.33Å; K288-F290 HydrophobicContact CG-CE2 3.18Å; K288-F290 HydrophobicContact CG-CZ 3.51Å; F290-R292 PolarHBondContact O-N 3.15Å; F290-R292 PolarHBondContact O-NH1 3.12Å; F290-R292 VanDerWaalsContact O-NH1 3.16Å
291C96.1Very high95Very high5 Ų527.9 Ų27.93%0.03414%0.137CC..BIsolated β-bridgetrans-59139.6-178.5-1670000111.6E217 C223 F225E217-C291 PolarHBondContact OE1-N 3.41Å; C223-C291 HydrophobicContact CB-CB 3.48Å; C223-C291 VanDerWaalsContact CB-CB 3.48Å; C223-C291 WeakPolarHBondContact CB-SG 3.47Å; C223-C291 PolarHBondContact O-SG 3.27Å; C223-C291 VanDerWaalsContact SG-C 3.51Å; C223-C291 WeakPolarHBondContact SG-CB 3.34Å; C223-C291 CovalentContact SG-SG 2.02Å; C223-C291 PolarHBondContact SG-SG 2.89Å; F225-C291 HydrophobicContact CD1-CB 4.15Å; F225-C291 HydrophobicContact CD2-CB 3.82Å; F225-C291 HydrophobicContact CE1-CB 3.85Å; F225-C291 HydrophobicContact CE2-CB 3.5Å; F225-C291 VanDerWaalsContact CE2-CB 3.5Å; F225-C291 HydrophobicContact CG-CB 4.15Å; F225-C291 HydrophobicContact CZ-CB 3.51Å; F225-C291 PolarHBondContact N-SG 3.31Å
292R95.1Very high94.9Very high7 Ų727 Ų273%0.02613%0.134CC..  trans-128.5148.1174.3-65.8-69.3174.2-72.21.6109G285 P289 F290 E338 A360 G361G285-R292 VanDerWaalsContact CA-CZ 3.49Å; P289-R292 PolarHBondContact O-NH1 2.96Å; F290-R292 PolarHBondContact O-N 3.15Å; F290-R292 PolarHBondContact O-NH1 3.12Å; F290-R292 VanDerWaalsContact O-NH1 3.16Å; R292-E338 IonicContact CZ-OE1 2.79Å; R292-E338 IonicContact NE-OE1 3.71Å; R292-E338 PolarHBondContact NE-OE1 2.98Å; R292-E338 IonicContact NE-OE2 3.76Å; R292-E338 PolarHBondContact NE-OE2 2.83Å; R292-E338 IonicContact NH2-OE1 3.83Å; R292-E338 PolarHBondContact NH2-OE1 3.48Å; R292-A360 HydrophobicContact CB-CB 3.86Å; R292-A360 HydrophobicContact CG-CB 4.36Å; R292-G361 CarbonylContact C-O 3.56Å; R292-G361 WeakPolarHBondContact CA-O 3.4Å; R292-G361 WeakPolarHBondContact CB-O 3.45Å; R292-G361 VanDerWaalsContact CD-O 3.25Å; R292-G361 WeakPolarHBondContact CD-O 3.43Å
293L94Very high94.7Very high13 Ų1328.9 Ų28.97%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-86.4148.6164.2-61.4-170.1000109.1Y295 A360 G361 N363 E405L293-Y295 HydrophobicContact CB-CE1 4.49Å; L293-Y295 HydrophobicContact CB-CE2 3.99Å; L293-A360 VanDerWaalsContact O-CA 3.29Å; L293-A360 WeakPolarHBondContact O-CA 3.22Å; L293-G361 PolarHBondContact N-O 2.75Å; L293-G361 PolarHBondContact O-N 3.47Å; L293-N363 HydrophobicContact CD1-CB 3.93Å; L293-N363 VanDerWaalsContact CD1-OD1 3.23Å; L293-N363 WeakPolarHBondContact CD1-OD1 3.44Å; L293-N363 HydrophobicContact CG-CB 3.92Å; L293-E405 HydrophobicContact CD2-CB 3.93Å; L293-E405 HydrophobicContact CD2-CG 3.74Å
294H93.9Very high94.5Very high0 Ų029.4 Ų29.40%016%0.158CC..EExtended strand (participates in β ladder)trans-97.3110.7177.6-60.279.8000109.1L226 F236 W283 L358 V359 M404 E405L226-H294 PolarHBondContact O-CE1 2.88Å; F236-H294 AromaticContact CZ-CD2 3.9Å; F236-H294 AromaticContact CZ-NE2 3.82Å; W283-H294 AromaticContact CD1-CD2 3.64Å; W283-H294 AromaticContact CD1-NE2 3.78Å; W283-H294 PolarHBondContact N-NE2 2.83Å; H294-L358 HydrophobicContact CB-CD1 3.97Å; H294-L358 HydrophobicContact CB-CD2 4.35Å; H294-L358 HydrophobicContact CB-CG 4.16Å; H294-V359 CarbonylContact C-O 3.13Å; H294-V359 WeakPolarHBondContact CA-O 3.39Å; H294-M404 HydrophobicContact CB-CB 4.02Å; H294-M404 HydrophobicContact CB-CE 3.93Å; H294-M404 HydrophobicContact CB-SD 4.4Å; H294-M404 WeakPolarHBondContact O-CB 3.3Å; H294-M404 PolarHBondContact O-N 2.81Å; H294-E405 IonicContact CE1-OE1 3.6Å; H294-E405 IonicContact CG-OE1 2.85Å; H294-E405 VanDerWaalsContact N-CD 3.32Å; H294-E405 PolarHBondContact N-OE1 2.87Å; H294-E405 PolarHBondContact N-OE2 3.04Å; H294-E405 IonicContact ND1-OE1 2.68Å; H294-E405 PolarHBondContact ND1-OE1 3.19Å
295Y93.1Very high94.2Very high1 Ų136 Ų360%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-94.8119.7176.6-59.7-77.1000109.9L293 I297 L321 T337 M340 V359 R362 I401 E402 A403 L409L293-Y295 HydrophobicContact CB-CE1 4.49Å; L293-Y295 HydrophobicContact CB-CE2 3.99Å; Y295-I297 PolarHBondContact O-N 2.92Å; Y295-L321 HydrophobicContact CD1-CD1 4.14Å; Y295-L321 HydrophobicContact CE1-CD1 4.02Å; Y295-L321 HydrophobicContact CE2-CD1 4.39Å; Y295-L321 HydrophobicContact CG-CD1 4.37Å; Y295-T337 HydrophobicContact CE2-CG2 4.4Å; Y295-M340 HydrophobicContact CD2-CE 4.26Å; Y295-M340 HydrophobicContact CD2-SD 3.72Å; Y295-M340 HydrophobicContact CE2-SD 4.19Å; Y295-V359 PolarHBondContact N-O 2.79Å; Y295-V359 PolarHBondContact O-N 2.64Å; Y295-R362 PolarHBondContact OH-O 3.19Å; Y295-I401 HydrophobicContact CD1-CG2 3.98Å; Y295-I401 HydrophobicContact CG-CG2 4.47Å; Y295-E402 CarbonylContact C-O 3.49Å; Y295-E402 WeakPolarHBondContact CA-O 3.31Å; Y295-A403 HydrophobicContact CD1-CB 4.27Å; Y295-A403 HydrophobicContact CE1-CB 4.26Å; Y295-L409 HydrophobicContact CD1-CD2 4.03Å; Y295-L409 HydrophobicContact CE1-CD2 3.57Å
296R93Very high94Very high59 Ų5942 Ų4222%0.22322%0.219CC..EExtended strand (participates in β ladder)trans-78.2110.6164.7-177169.972.4-167.8-1107.6T242 E246 L358 E402T242-R296 PolarHBondContact OG1-NH1 2.89Å; E246-R296 IonicContact OE1-NH1 3.36Å; R296-L358 HydrophobicContact CB-CD1 4.29Å; R296-E402 HydrophobicContact CB-CB 4.37Å; R296-E402 IonicContact CZ-OE1 3.69Å; R296-E402 IonicContact CZ-OE2 3.25Å; R296-E402 VanDerWaalsContact CZ-OE2 3.29Å; R296-E402 PolarHBondContact N-O 3.38Å; R296-E402 IonicContact NE-OE2 3.98Å; R296-E402 PolarHBondContact NE-OE2 2.96Å; R296-E402 IonicContact NH2-OE1 2.64Å; R296-E402 PolarHBondContact NH2-OE1 2.97Å; R296-E402 IonicContact NH2-OE2 3.04Å; R296-E402 PolarHBondContact NH2-OE2 3.07Å; R296-E402 PolarHBondContact O-N 3.49Å
297I94.6Very high94Very high0 Ų038.2 Ų38.20%020%0.199CC..EExtended strand (participates in β ladder)trans-104.4124.7178.8-61-171.4000108.7Y295 V299 I319 M340 F342 K356 A357 V359 I399 L400 I401Y295-I297 PolarHBondContact O-N 2.92Å; I297-V299 HydrophobicContact CG2-CG2 3.93Å; I297-I319 HydrophobicContact CD1-CB 4.28Å; I297-I319 HydrophobicContact CD1-CD1 3.64Å; I297-I319 HydrophobicContact CD1-CG2 4.37Å; I297-I319 HydrophobicContact CG2-CD1 3.48Å; I297-I319 VanDerWaalsContact CG2-CD1 3.48Å; I297-M340 HydrophobicContact CD1-CE 4.34Å; I297-F342 HydrophobicContact CB-CD2 4.32Å; I297-F342 HydrophobicContact CB-CE2 4.3Å; I297-F342 HydrophobicContact CG2-CD2 3.94Å; I297-F342 HydrophobicContact CG2-CE2 3.97Å; I297-K356 CarbonylContact O-C 3.52Å; I297-K356 WeakPolarHBondContact O-CA 3.5Å; I297-A357 PolarHBondContact N-O 2.98Å; I297-A357 PolarHBondContact O-N 3.49Å; I297-V359 HydrophobicContact CD1-CG2 3.32Å; I297-V359 HydrophobicContact CG1-CG2 3.82Å; I297-I399 HydrophobicContact CG2-CG2 3.66Å; I297-L400 WeakPolarHBondContact CA-O 3.19Å; I297-I401 HydrophobicContact CG1-CG1 4.49Å
298T96.3Very high94.1Very high3 Ų339.9 Ų39.92%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-112.1122.7172.6-580000109.2E354 Y355 K356 I399 L400T298-E354 HydrophobicContact CG2-CG 3.28Å; T298-E354 VanDerWaalsContact CG2-OE1 3.28Å; T298-E354 WeakPolarHBondContact CG2-OE1 3.15Å; T298-E354 WeakPolarHBondContact CG2-OE2 3.33Å; T298-Y355 CarbonylContact C-O 3.58Å; T298-Y355 WeakPolarHBondContact CA-O 3.37Å; T298-K356 HydrophobicContact CG2-CG 4.07Å; T298-I399 CarbonylContact O-C 3.58Å; T298-I399 VanDerWaalsContact O-CA 3.3Å; T298-I399 WeakPolarHBondContact O-CA 3.46Å; T298-L400 HydrophobicContact CG2-CD1 4.45Å; T298-L400 PolarHBondContact N-O 3.18Å; T298-L400 PolarHBondContact O-N 3.03Å
299V96.8Very high94.1Very high0 Ų041.5 Ų41.50%022%0.221CC..EExtended strand (participates in β ladder)trans-113122.5-179177.40000108.9I297 L317 F342 E354 Y355 L396 I399I297-V299 HydrophobicContact CG2-CG2 3.93Å; V299-L317 HydrophobicContact CB-CD2 4.33Å; V299-L317 HydrophobicContact CG1-CD2 3.96Å; V299-L317 HydrophobicContact CG2-CD2 3.55Å; V299-F342 HydrophobicContact CB-CE2 4.26Å; V299-F342 HydrophobicContact CB-CZ 4.48Å; V299-F342 HydrophobicContact CG2-CD2 3.84Å; V299-F342 HydrophobicContact CG2-CE2 3.53Å; V299-F342 HydrophobicContact CG2-CZ 4.19Å; V299-E354 WeakPolarHBondContact O-CA 3.31Å; V299-Y355 PolarHBondContact N-O 3.4Å; V299-Y355 PolarHBondContact O-N 3.16Å; V299-L396 HydrophobicContact CG1-CD1 4.25Å; V299-L396 HydrophobicContact CG1-CD2 3.57Å; V299-L396 HydrophobicContact CG1-CG 4.5Å; V299-I399 HydrophobicContact CG2-CG1 4.3Å; V299-I399 HydrophobicContact CG2-CG2 4.37Å
300R97.4Very high93.9Very high67 Ų6741 Ų4125%0.25321%0.213SC..EExtended strand (participates in β ladder)trans-102118.1173.4-177.873177.8162.27.2109.6G352 L396 E397 Y398R300-G352 PolarHBondContact NH1-O 2.84Å; R300-G352 PolarHBondContact NH2-O 3.32Å; R300-L396 WeakPolarHBondContact O-CA 3.42Å; R300-E397 HydrophobicContact CB-CB 4.15Å; R300-E397 HydrophobicContact CG-CB 3.72Å; R300-E397 HydrophobicContact CG-CG 4.35Å; R300-E397 VanDerWaalsContact CG-OE2 3.28Å; R300-E397 WeakPolarHBondContact CG-OE2 3.25Å; R300-E397 IonicContact NE-OE2 2.91Å; R300-E397 PolarHBondContact O-N 3.07Å; R300-Y398 HydrophobicContact CB-CD1 3.87Å; R300-Y398 HydrophobicContact CB-CD2 3.82Å; R300-Y398 HydrophobicContact CB-CE1 3.58Å; R300-Y398 HydrophobicContact CB-CE2 3.5Å; R300-Y398 VanDerWaalsContact CB-CE2 3.5Å; R300-Y398 HydrophobicContact CB-CG 3.99Å; R300-Y398 HydrophobicContact CG-CD1 4.1Å; R300-Y398 HydrophobicContact CG-CE1 3.58Å; R300-Y398 HydrophobicContact CG-CE2 4.35Å; R300-Y398 PolarHBondContact N-O 3.39Å
301V97Very high93.6Very high3 Ų342 Ų422%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-78.2131.2173.5-169.80000108.4G303 F349 E350 G352 Y353 Y355 I394 Y395V301-G303 PolarHBondContact O-N 3.44Å; V301-F349 HydrophobicContact CG2-CB 3.93Å; V301-F349 HydrophobicContact CG2-CD1 4.05Å; V301-F349 HydrophobicContact CG2-CG 4.47Å; V301-E350 VanDerWaalsContact CB-O 3.3Å; V301-E350 WeakPolarHBondContact CB-O 3.2Å; V301-G352 WeakPolarHBondContact O-CA 3.42Å; V301-G352 PolarHBondContact O-N 2.9Å; V301-Y353 PolarHBondContact N-O 2.98Å; V301-Y355 HydrophobicContact CG2-CD2 4.09Å; V301-Y355 HydrophobicContact CG2-CE2 3.78Å; V301-I394 HydrophobicContact CG1-CG1 4.37Å; V301-I394 HydrophobicContact CG2-CD1 4.42Å; V301-Y395 VanDerWaalsContact CG1-O 3.31Å; V301-Y395 WeakPolarHBondContact CG1-O 3.36Å
302S95.8Very high93.3Very high4 Ų442.9 Ų42.93%0.02823%0.234CC..PPolyproline II helixtrans-54.1132.3-179.9168.40000111.6H304 S307 G352 Y395S302-H304 PolarHBondContact OG-N 2.94Å; S302-H304 PolarHBondContact OG-ND1 2.99Å; S302-S307 WeakPolarHBondContact O-CB 3.34Å; S302-S307 PolarHBondContact O-OG 3.21Å; S302-G352 PolarHBondContact O-N 2.88Å; S302-Y395 WeakPolarHBondContact CB-O 3.22Å; S302-Y395 PolarHBondContact N-O 2.69Å
303G92.8Very high93Very high39 Ų3943 Ų4340%0.40224%0.236SC..  trans-964172.700000114.1V301 T308V301-G303 PolarHBondContact O-N 3.44Å; G303-T308 PolarHBondContact O-OG1 3.49Å; G303-T308 VanDerWaalsContact O-OG1 3.11Å
304H91.3Very high92.9Very high71 Ų7145 Ų4533%0.32925%0.248SC..SBendtrans-69162.3-176.7-51.485.5000111.6S302 E306 S307 T308S302-H304 PolarHBondContact OG-N 2.94Å; S302-H304 PolarHBondContact OG-ND1 2.99Å; H304-E306 VanDerWaalsContact C-N 3.3Å; H304-E306 PolarHBondContact O-N 3.1Å; H304-E306 VanDerWaalsContact O-N 3.16Å; H304-S307 WeakPolarHBondContact O-CB 3.27Å; H304-S307 PolarHBondContact O-N 3.24Å; H304-T308 PolarHBondContact O-N 2.82Å; H304-T308 PolarHBondContact O-OG1 3.05Å
305D91.6Very high92.8Very high147 Ų14745 Ų4579%0.78625%0.248SC*.Hα-helixtrans-51.3-43.9-172-69.3-12.4000113.5S307 T308 L309D305-S307 PolarHBondContact O-N 2.86Å; D305-T308 PolarHBondContact O-N 3.39Å; D305-L309 WeakPolarHBondContact O-CB 3.47Å; D305-L309 PolarHBondContact O-N 2.95Å
306E90.6Very high92.8Very high132 Ų13246 Ų4662%0.61725%0.253SS*.Hα-helixtrans-64.7-38.6179.5-66.3-167.116600113.2H304 H310 Y395H304-E306 VanDerWaalsContact C-N 3.3Å; H304-E306 PolarHBondContact O-N 3.1Å; H304-E306 VanDerWaalsContact O-N 3.16Å; E306-H310 VanDerWaalsContact O-CB 3.32Å; E306-H310 WeakPolarHBondContact O-CB 3.46Å; E306-H310 PolarHBondContact O-N 3.4Å; E306-Y395 HydrophobicContact CB-CE1 4.07Å
307S92.4Very high92.9Very high3 Ų343.2 Ų43.22%0.02124%0.243CC..Hα-helixtrans-70-46.2178-174.80000111.2S302 H304 D305 L309 H310 G311S302-S307 WeakPolarHBondContact O-CB 3.34Å; S302-S307 PolarHBondContact O-OG 3.21Å; H304-S307 WeakPolarHBondContact O-CB 3.27Å; H304-S307 PolarHBondContact O-N 3.24Å; D305-S307 PolarHBondContact O-N 2.86Å; S307-L309 VanDerWaalsContact C-N 3.33Å; S307-L309 PolarHBondContact O-N 2.64Å; S307-H310 PolarHBondContact O-N 3.48Å; S307-G311 PolarHBondContact O-N 2.83Å
308T92.2Very high92.9Very high83 Ų8343.3 Ų43.351%0.50924%0.243SC..Hα-helixtrans-65-38.2178.2-57.60000111.5G303 H304 D305 G311G303-T308 PolarHBondContact O-OG1 3.49Å; G303-T308 VanDerWaalsContact O-OG1 3.11Å; H304-T308 PolarHBondContact O-N 2.82Å; H304-T308 PolarHBondContact O-OG1 3.05Å; D305-T308 PolarHBondContact O-N 3.39Å; T308-G311 PolarHBondContact O-N 3.29Å
309L92.1Very high92.9Very high157 Ų15743.1 Ų43.182%0.82224%0.242SC*.Hα-helixtrans-68.4-36.3174.6-17667.3000112.4D305 S307 G311D305-L309 WeakPolarHBondContact O-CB 3.47Å; D305-L309 PolarHBondContact O-N 2.95Å; S307-L309 VanDerWaalsContact C-N 3.33Å; S307-L309 PolarHBondContact O-N 2.64Å; L309-G311 VanDerWaalsContact C-N 3.35Å
310H89.4Confident92.9Very high61 Ų6145.5 Ų45.528%0.28225%0.253SS..Hα-helixtrans-68.7-35.3173.8-176.985.2000111.7E306 S307 E313 R393 Y395E306-H310 VanDerWaalsContact O-CB 3.32Å; E306-H310 WeakPolarHBondContact O-CB 3.46Å; E306-H310 PolarHBondContact O-N 3.4Å; S307-H310 PolarHBondContact O-N 3.48Å; H310-E313 IonicContact CE1-OE2 2.95Å; H310-E313 IonicContact NE2-OE2 3.9Å; H310-E313 PolarHBondContact NE2-OE2 2.81Å; H310-E313 VanDerWaalsContact NE2-OE2 3.16Å; H310-R393 PolarHBondContact ND1-NE 2.04Å; H310-R393 PolarHBondContact NE2-O 2.8Å; H310-Y395 HydrophobicContact CB-CD2 4.43Å; H310-Y395 HydrophobicContact CB-CE2 3.8Å; H310-Y395 AromaticContact CG-CE2 3.95Å
311G89.4Confident92.7Very high27 Ų2742.3 Ų42.328%0.27824%0.241SC..  trans82.3-179.6-178.100000113.1S307 T308 L309S307-G311 PolarHBondContact O-N 2.83Å; T308-G311 PolarHBondContact O-N 3.29Å; L309-G311 VanDerWaalsContact C-N 3.35Å
312G89.7Confident92.5Very high23 Ų2343 Ų4324%0.23725%0.245CC..  trans-72.3151.6-179.500000113.8Y348 F349G312-Y348 VanDerWaalsContact C-CE2 3.42Å; G312-Y348 WeakPolarHBondContact CA-OH 3.02Å; G312-F349 CarbonylContact C-O 3.6Å; G312-F349 WeakPolarHBondContact CA-O 3.35Å
313E90.4Very high92.2Very high11 Ų1143.4 Ų43.45%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-129.1143.5-169.5-167.361.3-89.100112H310 Y348 F349 W374 R387H310-E313 IonicContact CE1-OE2 2.95Å; H310-E313 IonicContact NE2-OE2 3.9Å; H310-E313 PolarHBondContact NE2-OE2 2.81Å; H310-E313 VanDerWaalsContact NE2-OE2 3.16Å; E313-Y348 WeakPolarHBondContact O-CA 3.32Å; E313-F349 PolarHBondContact N-O 3.12Å; E313-F349 PolarHBondContact O-N 3.25Å; E313-W374 HydrophobicContact CB-CZ2 4.11Å; E313-W374 HydrophobicContact CG-CZ2 3.56Å; E313-R387 IonicContact OE1-CZ 3.63Å; E313-R387 IonicContact OE1-NH1 3.93Å; E313-R387 PolarHBondContact OE1-NH1 3.47Å; E313-R387 IonicContact OE1-NH2 2.71Å; E313-R387 PolarHBondContact OE1-NH2 2.89Å; E313-R387 IonicContact OE2-CZ 3.99Å; E313-R387 IonicContact OE2-NH1 3.81Å; E313-R387 PolarHBondContact OE2-NH1 3.24Å
314V91.1Very high91.4Very high55 Ų5542.6 Ų42.633%0.33324%0.236SC..EExtended strand (participates in β ladder)trans-101.3128.9175.5179.40000109.8A346 M347 Y348 Y376V314-A346 HydrophobicContact CG1-CB 3.96Å; V314-M347 VanDerWaalsContact CA-O 3.31Å; V314-M347 WeakPolarHBondContact CA-O 3.26Å; V314-Y348 HydrophobicContact CG2-CD2 3.75Å; V314-Y348 HydrophobicContact CG2-CG 4.47Å; V314-Y376 WeakPolarHBondContact O-CD2 3.44Å
315G91.9Very high90.3Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans180-174175.400000113.9A346 M347 W374 E375G315-A346 VanDerWaalsContact O-CA 3.3Å; G315-A346 WeakPolarHBondContact O-CA 3.4Å; G315-M347 PolarHBondContact N-O 3.15Å; G315-M347 PolarHBondContact O-N 2.97Å; G315-W374 VanDerWaalsContact CA-CH2 3.43Å; G315-W374 VanDerWaalsContact CA-CZ2 3.41Å; G315-E375 CarbonylContact C-O 3.52Å; G315-E375 VanDerWaalsContact CA-O 3.24Å; G315-E375 WeakPolarHBondContact CA-O 3.4Å
316I92.9Very high88.7Confident21 Ų2140.7 Ų40.711%0.10823%0.23CC..EExtended strand (participates in β ladder)trans-112.1115.1177-57.1173.2000107.4A346 E375I316-A346 HydrophobicContact CG1-CB 3.94Å; I316-E375 HydrophobicContact CB-CB 4.39Å; I316-E375 PolarHBondContact N-O 2.83Å; I316-E375 PolarHBondContact O-N 2.95Å
317L94.9Very high86.9Confident0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-86.4132.8170.8-17074.4000109V299 I319 F342 F349 V372 W374 L396V299-L317 HydrophobicContact CB-CD2 4.33Å; V299-L317 HydrophobicContact CG1-CD2 3.96Å; V299-L317 HydrophobicContact CG2-CD2 3.55Å; L317-I319 HydrophobicContact CD2-CD1 4.26Å; L317-F342 HydrophobicContact CB-CB 3.95Å; L317-F342 HydrophobicContact CD2-CB 4.36Å; L317-F342 HydrophobicContact CD2-CD2 4.43Å; L317-F342 HydrophobicContact CD2-CG 4.35Å; L317-F342 HydrophobicContact CG-CB 4.47Å; L317-F342 WeakPolarHBondContact O-CB 3.42Å; L317-F342 PolarHBondContact O-N 2.59Å; L317-F349 HydrophobicContact CB-CZ 4.2Å; L317-V372 HydrophobicContact CD1-CG1 3.4Å; L317-V372 VanDerWaalsContact CD1-CG1 3.4Å; L317-V372 HydrophobicContact CG-CG1 4.24Å; L317-W374 HydrophobicContact CB-CE3 4.16Å; L317-W374 HydrophobicContact CB-CZ3 4.11Å; L317-W374 HydrophobicContact CD1-CE3 3.9Å; L317-W374 HydrophobicContact CD1-CZ3 4.43Å; L317-L396 HydrophobicContact CD1-CD1 4.27Å
318S95.3Very high84.8Confident2 Ų249.9 Ų49.91%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-131.6145.4171.5-47.90000111M340 V372 N373S318-M340 CarbonylContact C-O 3.51Å; S318-M340 WeakPolarHBondContact CA-O 3.48Å; S318-V372 WeakPolarHBondContact O-CA 3.45Å; S318-N373 PolarHBondContact N-O 3.02Å; S318-N373 PolarHBondContact O-N 2.9Å
319I96Very high82.9Confident0 Ų050.9 Ų50.90%029%0.285CS..EExtended strand (participates in β ladder)trans-130.6128.7-170.4-61.9161.1000108.2I297 L317 M340 A370 V372 I399 I401I297-I319 HydrophobicContact CD1-CB 4.28Å; I297-I319 HydrophobicContact CD1-CD1 3.64Å; I297-I319 HydrophobicContact CD1-CG2 4.37Å; I297-I319 HydrophobicContact CG2-CD1 3.48Å; I297-I319 VanDerWaalsContact CG2-CD1 3.48Å; L317-I319 HydrophobicContact CD2-CD1 4.26Å; I319-M340 HydrophobicContact CG2-CE 4.49Å; I319-M340 PolarHBondContact N-O 2.68Å; I319-M340 WeakPolarHBondContact O-CB 3.34Å; I319-M340 PolarHBondContact O-N 2.88Å; I319-A370 HydrophobicContact CG2-CB 3.99Å; I319-V372 HydrophobicContact CG1-CG2 4.4Å; I319-I399 HydrophobicContact CD1-CD1 3.98Å; I319-I399 HydrophobicContact CD1-CG2 4.2Å; I319-I399 HydrophobicContact CG1-CD1 4.24Å; I319-I401 HydrophobicContact CG2-CD1 4.38Å
320Q95.9Very high81Confident49 Ų4947.4 Ų47.423%0.22929%0.287CS..EExtended strand (participates in β ladder)trans-116121.1171.6-174.3172.440.400108.8H322 A336 T337 M339 A370 T371Q320-H322 PolarHBondContact O-CD2 3.45Å; Q320-H322 VanDerWaalsContact O-CD2 3.29Å; Q320-H322 PolarHBondContact O-NE2 2.75Å; Q320-H322 PolarHBondContact OE1-CE1 2.05Å; Q320-A336 HydrophobicContact CG-CB 4.24Å; Q320-T337 WeakPolarHBondContact CG-O 3.31Å; Q320-T337 PolarHBondContact NE2-O 2.87Å; Q320-M339 HydrophobicContact CB-CE 3.92Å; Q320-M339 HydrophobicContact CB-SD 3.91Å; Q320-A370 CarbonylContact O-C 3.55Å; Q320-A370 WeakPolarHBondContact O-CA 3.49Å; Q320-T371 PolarHBondContact N-O 3.49Å; Q320-T371 PolarHBondContact O-N 2.76Å
321L94.6Very high79.2Confident0 Ų051.5 Ų51.50%030%0.304CS..EExtended strand (participates in β ladder)trans-86.3148.2174.8-66.7173.2000110.3Y295 A336 T337 M340 L364 A370 I401Y295-L321 HydrophobicContact CD1-CD1 4.14Å; Y295-L321 HydrophobicContact CE1-CD1 4.02Å; Y295-L321 HydrophobicContact CE2-CD1 4.39Å; Y295-L321 HydrophobicContact CG-CD1 4.37Å; L321-A336 CarbonylContact O-C 3.55Å; L321-A336 WeakPolarHBondContact O-CA 3.34Å; L321-A336 WeakPolarHBondContact O-CB 3.28Å; L321-T337 HydrophobicContact CB-CG2 3.85Å; L321-T337 HydrophobicContact CD1-CG2 4.4Å; L321-T337 PolarHBondContact N-OG1 3.29Å; L321-T337 PolarHBondContact O-N 3.47Å; L321-M340 HydrophobicContact CD1-CE 3.88Å; L321-M340 HydrophobicContact CG-CE 3.86Å; L321-L364 HydrophobicContact CB-CD1 3.55Å; L321-A370 HydrophobicContact CD2-CB 3.95Å; L321-I401 HydrophobicContact CD1-CD1 4.43Å; L321-I401 HydrophobicContact CD1-CG2 4Å; L321-I401 HydrophobicContact CD2-CD1 3.23Å; L321-I401 HydrophobicContact CG-CD1 4.22Å
322H93.1Very high77.6Confident19 Ų1956.1 Ų56.19%0.08832%0.322CS..EExtended strand (participates in β ladder)trans-132.6135.4179.4-58.3-87.9000110.8Q320 A336 P367 E368 Y369 T371Q320-H322 PolarHBondContact O-CD2 3.45Å; Q320-H322 VanDerWaalsContact O-CD2 3.29Å; Q320-H322 PolarHBondContact O-NE2 2.75Å; Q320-H322 PolarHBondContact OE1-CE1 2.05Å; H322-A336 WeakPolarHBondContact ND1-CB 3.5Å; H322-P367 WeakPolarHBondContact O-CA 3.18Å; H322-E368 PolarHBondContact O-N 2.89Å; H322-Y369 HydrophobicContact CB-CD1 3.99Å; H322-Y369 HydrophobicContact CB-CD2 4.24Å; H322-Y369 HydrophobicContact CB-CE1 3.43Å; H322-Y369 VanDerWaalsContact CB-CE1 3.43Å; H322-Y369 HydrophobicContact CB-CE2 3.76Å; H322-Y369 HydrophobicContact CB-CG 4.34Å; H322-Y369 WeakPolarHBondContact CB-OH 3.44Å; H322-Y369 AromaticContact CD2-CD2 3.86Å; H322-Y369 AromaticContact CD2-CE2 3.41Å; H322-Y369 VanDerWaalsContact CD2-CE2 3.41Å; H322-Y369 WeakPolarHBondContact CD2-CE2 3.24Å; H322-Y369 AromaticContact CD2-CZ 3.85Å; H322-Y369 AromaticContact CG-CE2 3.62Å; H322-Y369 AromaticContact CG-CZ 3.54Å; H322-Y369 PolarHBondContact N-O 3.09Å; H322-T371 PolarHBondContact NE2-OG1 3.41Å
323D89.1Confident76Confident11 Ų1161.4 Ų61.46%0.05934%0.341CS..EExtended strand (participates in β ladder)trans-65.2156.9169.7-89-16.9000111.1A335 L364 R365 E366D323-A335 HydrophobicContact CB-CB 4.32Å; D323-A335 PolarHBondContact N-O 2.96Å; D323-A335 WeakPolarHBondContact OD2-CB 3.41Å; D323-L364 WeakPolarHBondContact OD1-CB 3.45Å; D323-R365 PolarHBondContact OD1-N 2.72Å; D323-R365 VanDerWaalsContact OD1-N 3.09Å; D323-R365 PolarHBondContact OD2-N 2.87Å; D323-E366 WeakPolarHBondContact CA-O 3.43Å; D323-E366 PolarHBondContact OD1-N 2.88Å
324A76.2Confident75.2Confident23 Ų2367 Ų6719%0.1936%0.361CS..  trans-55.4153.8162.900000111.7V326 E366 E368A324-V326 PolarHBondContact O-N 2.97Å; A324-E366 PolarHBondContact N-O 2.97Å; A324-E366 VanDerWaalsContact N-O 3.15Å; A324-E368 VanDerWaalsContact CA-OE2 3.27Å; A324-E368 WeakPolarHBondContact CA-OE2 3.45Å; A324-E368 HydrophobicContact CB-CB 4.26Å; A324-E368 WeakPolarHBondContact CB-OE2 3.31Å
325L67.6Low75Confident97 Ų9766.7 Ų66.751%0.50836%0.364SS..  trans-62.3104.7179.5-86.7169.1000111.6N332 R334L325-N332 HydrophobicContact CD2-CB 4.5Å; L325-R334 HydrophobicContact CD2-CG 3.76Å; L325-R334 VanDerWaalsContact CD2-NE 3.31Å; L325-R334 HydrophobicContact CG-CG 4.49Å
326V56.9Low74.9Confident81 Ų8168.1 Ų68.149%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-94.3115.4171-1740000109.9A324 K328A324-V326 PolarHBondContact O-N 2.97Å; V326-K328 PolarHBondContact O-N 3.14Å; V326-K328 VanDerWaalsContact O-N 3.12Å
327K53Low75Confident186 Ų18667.3 Ų67.381%0.80937%0.372SS*.EExtended strand (participates in β ladder)trans-7499169.2-75-176.3179.91770109.3
328K49.4Very low74.8Confident141 Ų14170 Ų7061%0.61339%0.385SS*.EExtended strand (participates in β ladder)trans-115122.1173.2-150.7178.3-177.2-176.10110.1V326 G330 K331V326-K328 PolarHBondContact O-N 3.14Å; V326-K328 VanDerWaalsContact O-N 3.12Å; K328-G330 VanDerWaalsContact C-N 3.27Å; K328-G330 PolarHBondContact O-N 3.18Å; K328-G330 VanDerWaalsContact O-N 3.12Å; K328-K331 PolarHBondContact O-N 3.43Å; K328-K331 VanDerWaalsContact O-N 3.15Å
329A52.5Low74.7Confident105 Ų10573.5 Ų73.587%0.86840%0.402SS*.THydrogen-bonded Turntrans50.837.917400000115.5K331A329-K331 PolarHBondContact O-N 3.23Å
330G51.9Low74.7Confident84 Ų8473.9 Ų73.987%0.86640%0.404SS*.THydrogen-bonded Turntrans74.15.7175.800000115.5K328K328-G330 VanDerWaalsContact C-N 3.27Å; K328-G330 PolarHBondContact O-N 3.18Å; K328-G330 VanDerWaalsContact O-N 3.12Å
331K51.3Low74.5Confident147 Ų14776 Ų7664%0.63941%0.412SS*.EExtended strand (participates in β ladder)trans-110.1135.9169.6-72.1-178.6179.7-179.80109.8K328 A329 E333K328-K331 PolarHBondContact O-N 3.43Å; K328-K331 VanDerWaalsContact O-N 3.15Å; A329-K331 PolarHBondContact O-N 3.23Å; K331-E333 PolarHBondContact O-N 3.1Å
332N55.9Low74.5Confident124 Ų12476.6 Ų76.666%0.66342%0.415SS*.EExtended strand (participates in β ladder)trans-79.793.9168.8-69.6-14.6000107.5L325L325-N332 HydrophobicContact CD2-CB 4.5Å
333E55.8Low74.3Confident134 Ų13476.8 Ų76.863%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-101.3122.4169-82.5-178.9172.700108.9K331K331-E333 PolarHBondContact O-N 3.1Å
334R73.1Confident74Confident128 Ų12883.6 Ų83.648%0.48345%0.45SS..  trans-99114.9166.4-67.2-177.9178.41703.4106.7L325 Y369L325-R334 HydrophobicContact CD2-CG 3.76Å; L325-R334 VanDerWaalsContact CD2-NE 3.31Å; L325-R334 HydrophobicContact CG-CG 4.49Å; R334-Y369 VanDerWaalsContact CD-OH 3.31Å; R334-Y369 WeakPolarHBondContact CD-OH 3.07Å; R334-Y369 PolarHBondContact NH1-OH 2.83Å
335A86.9Confident74.6Confident48 Ų4890.8 Ų90.840%0.39748%0.477SS..  trans-68.1142.4166.700000108.3D323 L364D323-A335 HydrophobicContact CB-CB 4.32Å; D323-A335 PolarHBondContact N-O 2.96Å; D323-A335 WeakPolarHBondContact OD2-CB 3.41Å; A335-L364 HydrophobicContact CB-CD2 3.86Å
336A91.4Very high75.7Confident30 Ų3088 Ų8825%0.24847%0.468CS..BIsolated β-bridgetrans-142.1152.3178.700000109.3Q320 L321 H322Q320-A336 HydrophobicContact CG-CB 4.24Å; L321-A336 CarbonylContact O-C 3.55Å; L321-A336 WeakPolarHBondContact O-CA 3.34Å; L321-A336 WeakPolarHBondContact O-CB 3.28Å; H322-A336 WeakPolarHBondContact ND1-CB 3.5Å
337T93.3Very high77.4Confident4 Ų486.5 Ų86.53%0.02546%0.456CS..  trans-66.8170.8165.761.90000109.8Y295 Q320 L321 M340 R362 L364Y295-T337 HydrophobicContact CE2-CG2 4.4Å; Q320-T337 WeakPolarHBondContact CG-O 3.31Å; Q320-T337 PolarHBondContact NE2-O 2.87Å; L321-T337 HydrophobicContact CB-CG2 3.85Å; L321-T337 HydrophobicContact CD1-CG2 4.4Å; L321-T337 PolarHBondContact N-OG1 3.29Å; L321-T337 PolarHBondContact O-N 3.47Å; T337-M340 HydrophobicContact CG2-CE 4.29Å; T337-M340 HydrophobicContact CG2-SD 4.3Å; T337-R362 WeakPolarHBondContact CG2-O 3.2Å; T337-L364 HydrophobicContact CG2-CD1 3.87Å; T337-L364 HydrophobicContact CG2-CG 4.01Å
338E92Very high79.3Confident57 Ų5783.2 Ų83.227%0.26644%0.439SS..  trans-61.2167.1154.9-59.585.3175.200110.8R292 M340 R362R292-E338 IonicContact CZ-OE1 2.79Å; R292-E338 IonicContact NE-OE1 3.71Å; R292-E338 PolarHBondContact NE-OE1 2.98Å; R292-E338 IonicContact NE-OE2 3.76Å; R292-E338 PolarHBondContact NE-OE2 2.83Å; R292-E338 IonicContact NH2-OE1 3.83Å; R292-E338 PolarHBondContact NH2-OE1 3.48Å; E338-M340 PolarHBondContact O-N 2.81Å; E338-R362 WeakPolarHBondContact OE1-CG 3.41Å; E338-R362 IonicContact OE1-CZ 3.11Å; E338-R362 IonicContact OE1-NE 2.77Å; E338-R362 PolarHBondContact OE1-NE 2.95Å; E338-R362 IonicContact OE1-NH2 2.67Å; E338-R362 WeakPolarHBondContact OE2-CG 3.44Å; E338-R362 PolarHBondContact OE2-N 2.98Å; E338-R362 IonicContact OE2-NE 3.86Å
339M93.1Very high81.5Confident76 Ų7676.5 Ų76.537%0.37441%0.41SS..  trans-70.897.4168.9-172.263.571.600108.5Q320 K341 N373Q320-M339 HydrophobicContact CB-CE 3.92Å; Q320-M339 HydrophobicContact CB-SD 3.91Å; M339-K341 PolarHBondContact O-N 2.76Å; M339-N373 HydrophobicContact CE-CB 4.34Å; M339-N373 HydrophobicContact SD-CB 4.16Å
340M94.8Very high83.5Confident7 Ų775.1 Ų75.13%0.03439%0.385CS..EExtended strand (participates in β ladder)trans-79.2119.9-175.4-56.7178.7-69.300109.3Y295 I297 S318 I319 L321 T337 E338 F342 V359 G361Y295-M340 HydrophobicContact CD2-CE 4.26Å; Y295-M340 HydrophobicContact CD2-SD 3.72Å; Y295-M340 HydrophobicContact CE2-SD 4.19Å; I297-M340 HydrophobicContact CD1-CE 4.34Å; S318-M340 CarbonylContact C-O 3.51Å; S318-M340 WeakPolarHBondContact CA-O 3.48Å; I319-M340 HydrophobicContact CG2-CE 4.49Å; I319-M340 PolarHBondContact N-O 2.68Å; I319-M340 WeakPolarHBondContact O-CB 3.34Å; I319-M340 PolarHBondContact O-N 2.88Å; L321-M340 HydrophobicContact CD1-CE 3.88Å; L321-M340 HydrophobicContact CG-CE 3.86Å; T337-M340 HydrophobicContact CG2-CE 4.29Å; T337-M340 HydrophobicContact CG2-SD 4.3Å; E338-M340 PolarHBondContact O-N 2.81Å; M340-F342 PolarHBondContact O-N 2.83Å; M340-V359 HydrophobicContact CB-CB 4.26Å; M340-V359 HydrophobicContact CB-CG2 3.98Å; M340-V359 HydrophobicContact CE-CG2 4.29Å; M340-V359 HydrophobicContact CG-CG2 4.46Å; M340-V359 HydrophobicContact SD-CG2 3.79Å; M340-G361 VanDerWaalsContact SD-CA 3.55Å
341K93.2Very high85.7Confident94 Ų9472.2 Ų72.241%0.40935%0.351SS..EExtended strand (participates in β ladder)trans-76.8125.2176.5-64.4-171.7174.7-172.40109.8M339 S343 V359M339-K341 PolarHBondContact O-N 2.76Å; K341-S343 PolarHBondContact O-N 2.98Å; K341-V359 VanDerWaalsContact O-CG1 3.31Å; K341-V359 WeakPolarHBondContact O-CG1 3.36Å
342F93.1Very high87.8Confident13 Ų1366.3 Ų66.36%0.05733%0.333CS..SBendtrans-61.1-36.5173.2-174.4-92.8000111.3I297 V299 L317 M340 M347 F349 A357I297-F342 HydrophobicContact CB-CD2 4.32Å; I297-F342 HydrophobicContact CB-CE2 4.3Å; I297-F342 HydrophobicContact CG2-CD2 3.94Å; I297-F342 HydrophobicContact CG2-CE2 3.97Å; V299-F342 HydrophobicContact CB-CE2 4.26Å; V299-F342 HydrophobicContact CB-CZ 4.48Å; V299-F342 HydrophobicContact CG2-CD2 3.84Å; V299-F342 HydrophobicContact CG2-CE2 3.53Å; V299-F342 HydrophobicContact CG2-CZ 4.19Å; L317-F342 HydrophobicContact CB-CB 3.95Å; L317-F342 HydrophobicContact CD2-CB 4.36Å; L317-F342 HydrophobicContact CD2-CD2 4.43Å; L317-F342 HydrophobicContact CD2-CG 4.35Å; L317-F342 HydrophobicContact CG-CB 4.47Å; L317-F342 WeakPolarHBondContact O-CB 3.42Å; L317-F342 PolarHBondContact O-N 2.59Å; M340-F342 PolarHBondContact O-N 2.83Å; F342-M347 HydrophobicContact CD1-SD 3.74Å; F342-M347 HydrophobicContact CE1-CE 4.18Å; F342-M347 HydrophobicContact CE1-SD 3.69Å; F342-F349 HydrophobicContact CD1-CE1 4.4Å; F342-F349 HydrophobicContact CD1-CZ 4.01Å; F342-F349 HydrophobicContact CE1-CE1 4.15Å; F342-F349 HydrophobicContact CE1-CZ 4.18Å; F342-A357 HydrophobicContact CD1-CB 4.2Å; F342-A357 HydrophobicContact CD2-CB 3.74Å; F342-A357 HydrophobicContact CE1-CB 4.04Å; F342-A357 HydrophobicContact CE2-CB 3.56Å; F342-A357 HydrophobicContact CG-CB 4.05Å; F342-A357 HydrophobicContact CZ-CB 3.72Å; F342-A357 VanDerWaalsContact O-CB 3.25Å; F342-A357 WeakPolarHBondContact O-CB 3.33Å
343S89.6Confident89.7Confident23 Ų2366.3 Ų66.316%0.16132%0.324CS..  trans-142.5147.5175.2630000110.7K341 K345K341-S343 PolarHBondContact O-N 2.98Å; S343-K345 VanDerWaalsContact C-N 3.3Å; S343-K345 WeakPolarHBondContact CB-O 3.02Å; S343-K345 PolarHBondContact OG-O 3Å
344Q83.8Confident91.7Very high153 Ų15363.4 Ų63.472%0.71531%0.311SS*.SBendtrans-73.1-25.5177.9-65.1-59.3-29.200112.9
345K87.4Confident92.8Very high175 Ų17559.5 Ų59.576%0.76130%0.296SS*.SBendtrans-120.6154.9177.9-64-179.3-177.4175.40109.3S343 M347S343-K345 VanDerWaalsContact C-N 3.3Å; S343-K345 WeakPolarHBondContact CB-O 3.02Å; S343-K345 PolarHBondContact OG-O 3Å; K345-M347 PolarHBondContact O-N 3.2Å
346A90.6Very high93.1Very high38 Ų3863 Ų6331%0.31430%0.302SS..  trans-60.5138.6173.400000110.6V314 G315 I316 P377V314-A346 HydrophobicContact CG1-CB 3.96Å; G315-A346 VanDerWaalsContact O-CA 3.3Å; G315-A346 WeakPolarHBondContact O-CA 3.4Å; I316-A346 HydrophobicContact CG1-CB 3.94Å; A346-P377 HydrophobicContact CB-CG 3.67Å
347M92.5Very high93.2Very high49 Ų4961.9 Ų61.924%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-128.7158.7179.565.3-179.7-75.700110V314 G315 F342 K345 F349 Y355V314-M347 VanDerWaalsContact CA-O 3.31Å; V314-M347 WeakPolarHBondContact CA-O 3.26Å; G315-M347 PolarHBondContact N-O 3.15Å; G315-M347 PolarHBondContact O-N 2.97Å; F342-M347 HydrophobicContact CD1-SD 3.74Å; F342-M347 HydrophobicContact CE1-CE 4.18Å; F342-M347 HydrophobicContact CE1-SD 3.69Å; K345-M347 PolarHBondContact O-N 3.2Å; M347-F349 HydrophobicContact CB-CE2 4.49Å; M347-F349 HydrophobicContact CE-CD1 4.23Å; M347-F349 HydrophobicContact CE-CE1 3.76Å; M347-F349 HydrophobicContact CE-CE2 4.23Å; M347-F349 HydrophobicContact CE-CZ 3.79Å; M347-F349 HydrophobicContact CG-CD2 3.79Å; M347-F349 HydrophobicContact CG-CE1 4.33Å; M347-F349 HydrophobicContact CG-CE2 3.13Å; M347-F349 HydrophobicContact CG-CZ 3.45Å; M347-F349 VanDerWaalsContact CG-CZ 3.45Å; M347-F349 HydrophobicContact SD-CE1 3.9Å; M347-F349 HydrophobicContact SD-CE2 3.73Å; M347-F349 HydrophobicContact SD-CZ 3.31Å; M347-F349 WeakPolarHBondContact SD-CZ 3.33Å; M347-Y355 HydrophobicContact CE-CD1 3.4Å; M347-Y355 HydrophobicContact CE-CE1 3.89Å; M347-Y355 HydrophobicContact CE-CG 3.93Å
348Y93.6Very high93.1Very high117 Ų11762.3 Ų62.346%0.45930%0.295SS..EExtended strand (participates in β ladder)trans-87.5130175.2-179.1-106.5000110.1G312 E313 V314 E350G312-Y348 VanDerWaalsContact C-CE2 3.42Å; G312-Y348 WeakPolarHBondContact CA-OH 3.02Å; E313-Y348 WeakPolarHBondContact O-CA 3.32Å; V314-Y348 HydrophobicContact CG2-CD2 3.75Å; V314-Y348 HydrophobicContact CG2-CG 4.47Å; Y348-E350 HydrophobicContact CE1-CB 3.92Å; Y348-E350 HydrophobicContact CE1-CG 4.36Å
349F94.8Very high93.1Very high1 Ų160 Ų600%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-115.3120.1176.9-70.3-92.4000109.6V301 G312 E313 L317 F342 M347 Y355 W374 I394V301-F349 HydrophobicContact CG2-CB 3.93Å; V301-F349 HydrophobicContact CG2-CD1 4.05Å; V301-F349 HydrophobicContact CG2-CG 4.47Å; G312-F349 CarbonylContact C-O 3.6Å; G312-F349 WeakPolarHBondContact CA-O 3.35Å; E313-F349 PolarHBondContact N-O 3.12Å; E313-F349 PolarHBondContact O-N 3.25Å; L317-F349 HydrophobicContact CB-CZ 4.2Å; F342-F349 HydrophobicContact CD1-CE1 4.4Å; F342-F349 HydrophobicContact CD1-CZ 4.01Å; F342-F349 HydrophobicContact CE1-CE1 4.15Å; F342-F349 HydrophobicContact CE1-CZ 4.18Å; M347-F349 HydrophobicContact CB-CE2 4.49Å; M347-F349 HydrophobicContact CE-CD1 4.23Å; M347-F349 HydrophobicContact CE-CE1 3.76Å; M347-F349 HydrophobicContact CE-CE2 4.23Å; M347-F349 HydrophobicContact CE-CZ 3.79Å; M347-F349 HydrophobicContact CG-CD2 3.79Å; M347-F349 HydrophobicContact CG-CE1 4.33Å; M347-F349 HydrophobicContact CG-CE2 3.13Å; M347-F349 HydrophobicContact CG-CZ 3.45Å; M347-F349 VanDerWaalsContact CG-CZ 3.45Å; M347-F349 HydrophobicContact SD-CE1 3.9Å; M347-F349 HydrophobicContact SD-CE2 3.73Å; M347-F349 HydrophobicContact SD-CZ 3.31Å; M347-F349 WeakPolarHBondContact SD-CZ 3.33Å; F349-Y355 HydrophobicContact CB-CE2 4.3Å; F349-Y355 AromaticContact CD1-CD2 3.51Å; F349-Y355 HydrophobicContact CD1-CD2 3.51Å; F349-Y355 AromaticContact CD1-CE2 3.72Å; F349-Y355 HydrophobicContact CD1-CE2 3.72Å; F349-Y355 AromaticContact CD1-CG 3.99Å; F349-Y355 HydrophobicContact CD1-CG 3.99Å; F349-Y355 AromaticContact CE1-CD2 4Å; F349-Y355 HydrophobicContact CE1-CD2 4Å; F349-Y355 HydrophobicContact CE1-CG 4.08Å; F349-Y355 HydrophobicContact CG-CE2 4.38Å; F349-W374 AromaticContact CD2-CH2 3.5Å; F349-W374 HydrophobicContact CD2-CH2 3.5Å; F349-W374 AromaticContact CD2-CZ3 3.76Å; F349-W374 HydrophobicContact CD2-CZ3 3.76Å; F349-W374 AromaticContact CE2-CH2 3.71Å; F349-W374 HydrophobicContact CE2-CH2 3.71Å; F349-W374 AromaticContact CE2-CZ3 3.57Å; F349-W374 HydrophobicContact CE2-CZ3 3.57Å; F349-W374 HydrophobicContact CG-CH2 4.46Å; F349-W374 HydrophobicContact CZ-CZ3 4.39Å; F349-I394 HydrophobicContact CB-CD1 3.56Å; F349-I394 HydrophobicContact CD1-CD1 4.24Å; F349-I394 HydrophobicContact CD2-CD1 4.16Å; F349-I394 HydrophobicContact CG-CD1 3.76Å
350E96Very high93.2Very high75 Ų7557.7 Ų57.735%0.3528%0.278SS..  trans-98.6136.2-177.6-169.4173.7167.200110.9V301 Y348 G352 Y353 Y355V301-E350 VanDerWaalsContact CB-O 3.3Å; V301-E350 WeakPolarHBondContact CB-O 3.2Å; Y348-E350 HydrophobicContact CE1-CB 3.92Å; Y348-E350 HydrophobicContact CE1-CG 4.36Å; E350-G352 PolarHBondContact O-N 2.94Å; E350-Y353 HydrophobicContact CB-CD2 3.61Å; E350-Y353 HydrophobicContact CB-CE2 4.15Å; E350-Y353 HydrophobicContact CB-CG 4.18Å; E350-Y353 HydrophobicContact CG-CD2 3.57Å; E350-Y353 HydrophobicContact CG-CE2 3.66Å; E350-Y353 PolarHBondContact O-N 3.11Å; E350-Y353 VanDerWaalsContact OE1-CE2 3.24Å; E350-Y353 WeakPolarHBondContact OE1-CE2 3.33Å; E350-Y355 PolarHBondContact N-OH 3.42Å
351P96.6Very high93.1Very high23 Ų2357.4 Ų57.415%0.14928%0.277CS..THydrogen-bonded Turntrans-54.3133.9175.5-27.737000112.2Y353P351-Y353 VanDerWaalsContact C-N 3.29Å; P351-Y353 WeakPolarHBondContact O-CD2 3.07Å; P351-Y353 PolarHBondContact O-N 3.43Å
352G95.8Very high93.1Very high24 Ų2457.4 Ų57.425%0.24727%0.274CS..THydrogen-bonded Turntrans76.210.3179.700000115.2R300 V301 S302 E350R300-G352 PolarHBondContact NH1-O 2.84Å; R300-G352 PolarHBondContact NH2-O 3.32Å; V301-G352 WeakPolarHBondContact O-CA 3.42Å; V301-G352 PolarHBondContact O-N 2.9Å; S302-G352 PolarHBondContact O-N 2.88Å; E350-G352 PolarHBondContact O-N 2.94Å
353Y97.1Very high92.8Very high124 Ų12460.2 Ų60.249%0.48629%0.29SS..  trans-104.6158.2172.1-74.9-101.4000112.3V301 E350 P351V301-Y353 PolarHBondContact N-O 2.98Å; E350-Y353 HydrophobicContact CB-CD2 3.61Å; E350-Y353 HydrophobicContact CB-CE2 4.15Å; E350-Y353 HydrophobicContact CB-CG 4.18Å; E350-Y353 HydrophobicContact CG-CD2 3.57Å; E350-Y353 HydrophobicContact CG-CE2 3.66Å; E350-Y353 PolarHBondContact O-N 3.11Å; E350-Y353 VanDerWaalsContact OE1-CE2 3.24Å; E350-Y353 WeakPolarHBondContact OE1-CE2 3.33Å; P351-Y353 VanDerWaalsContact C-N 3.29Å; P351-Y353 WeakPolarHBondContact O-CD2 3.07Å; P351-Y353 PolarHBondContact O-N 3.43Å
354E96.9Very high92.7Very high73 Ų7359.7 Ų59.734%0.34129%0.285SS..EExtended strand (participates in β ladder)trans-114.4139.7176.8-174.6176.1101.600110.2T298 V299 K356 Y398T298-E354 HydrophobicContact CG2-CG 3.28Å; T298-E354 VanDerWaalsContact CG2-OE1 3.28Å; T298-E354 WeakPolarHBondContact CG2-OE1 3.15Å; T298-E354 WeakPolarHBondContact CG2-OE2 3.33Å; V299-E354 WeakPolarHBondContact O-CA 3.31Å; E354-K356 WeakPolarHBondContact OE1-CE 3.35Å; E354-K356 IonicContact OE1-NZ 2.66Å; E354-Y398 PolarHBondContact OE2-OH 2.99Å
355Y95.4Very high92.7Very high45 Ų4562.2 Ų62.218%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-129145-179.7-59-89.7000110T298 V299 V301 M347 F349 E350T298-Y355 CarbonylContact C-O 3.58Å; T298-Y355 WeakPolarHBondContact CA-O 3.37Å; V299-Y355 PolarHBondContact N-O 3.4Å; V299-Y355 PolarHBondContact O-N 3.16Å; V301-Y355 HydrophobicContact CG2-CD2 4.09Å; V301-Y355 HydrophobicContact CG2-CE2 3.78Å; M347-Y355 HydrophobicContact CE-CD1 3.4Å; M347-Y355 HydrophobicContact CE-CE1 3.89Å; M347-Y355 HydrophobicContact CE-CG 3.93Å; F349-Y355 HydrophobicContact CB-CE2 4.3Å; F349-Y355 AromaticContact CD1-CD2 3.51Å; F349-Y355 HydrophobicContact CD1-CD2 3.51Å; F349-Y355 AromaticContact CD1-CE2 3.72Å; F349-Y355 HydrophobicContact CD1-CE2 3.72Å; F349-Y355 AromaticContact CD1-CG 3.99Å; F349-Y355 HydrophobicContact CD1-CG 3.99Å; F349-Y355 AromaticContact CE1-CD2 4Å; F349-Y355 HydrophobicContact CE1-CD2 4Å; F349-Y355 HydrophobicContact CE1-CG 4.08Å; F349-Y355 HydrophobicContact CG-CE2 4.38Å; E350-Y355 PolarHBondContact N-OH 3.42Å
356K93.9Very high92.6Very high121 Ų12160.5 Ų60.553%0.52628%0.283SS..EExtended strand (participates in β ladder)trans-125.3142.6-179.3-61.5-176-178.6-179.80111.1I297 T298 E354I297-K356 CarbonylContact O-C 3.52Å; I297-K356 WeakPolarHBondContact O-CA 3.5Å; T298-K356 HydrophobicContact CG2-CG 4.07Å; E354-K356 WeakPolarHBondContact OE1-CE 3.35Å; E354-K356 IonicContact OE1-NZ 2.66Å
357A92.7Very high92.5Very high7 Ų759.3 Ų59.36%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-145.8143.1172.700000110.7T239 I297 F342 V359T239-A357 WeakPolarHBondContact OG1-CA 3.42Å; I297-A357 PolarHBondContact N-O 2.98Å; I297-A357 PolarHBondContact O-N 3.49Å; F342-A357 HydrophobicContact CD1-CB 4.2Å; F342-A357 HydrophobicContact CD2-CB 3.74Å; F342-A357 HydrophobicContact CE1-CB 4.04Å; F342-A357 HydrophobicContact CE2-CB 3.56Å; F342-A357 HydrophobicContact CG-CB 4.05Å; F342-A357 HydrophobicContact CZ-CB 3.72Å; F342-A357 VanDerWaalsContact O-CB 3.25Å; F342-A357 WeakPolarHBondContact O-CB 3.33Å; A357-V359 HydrophobicContact CB-CG1 4.23Å
358L91.8Very high92.5Very high13 Ų1360.9 Ų60.97%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-93.5113.3166.2-165.371000108.7F236 T239 H294 R296 M404F236-L358 HydrophobicContact CD2-CD2 4.38Å; F236-L358 HydrophobicContact CE2-CD2 3.71Å; F236-L358 HydrophobicContact CZ-CD2 4.22Å; T239-L358 HydrophobicContact CG2-CB 4.06Å; T239-L358 PolarHBondContact OG1-N 3.48Å; H294-L358 HydrophobicContact CB-CD1 3.97Å; H294-L358 HydrophobicContact CB-CD2 4.35Å; H294-L358 HydrophobicContact CB-CG 4.16Å; R296-L358 HydrophobicContact CB-CD1 4.29Å; L358-M404 HydrophobicContact CD2-SD 4.5Å
359V92.9Very high92.5Very high9 Ų955.9 Ų55.96%0.05526%0.259CS..EExtended strand (participates in β ladder)trans-118.3158179.5-540000110.5H294 Y295 I297 M340 K341 A357H294-V359 CarbonylContact C-O 3.13Å; H294-V359 WeakPolarHBondContact CA-O 3.39Å; Y295-V359 PolarHBondContact N-O 2.79Å; Y295-V359 PolarHBondContact O-N 2.64Å; I297-V359 HydrophobicContact CD1-CG2 3.32Å; I297-V359 HydrophobicContact CG1-CG2 3.82Å; M340-V359 HydrophobicContact CB-CB 4.26Å; M340-V359 HydrophobicContact CB-CG2 3.98Å; M340-V359 HydrophobicContact CE-CG2 4.29Å; M340-V359 HydrophobicContact CG-CG2 4.46Å; M340-V359 HydrophobicContact SD-CG2 3.79Å; K341-V359 VanDerWaalsContact O-CG1 3.31Å; K341-V359 WeakPolarHBondContact O-CG1 3.36Å; A357-V359 HydrophobicContact CB-CG1 4.23Å
360A93.7Very high92.5Very high28 Ų2855.9 Ų55.923%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-115.6132.4-177.500000111.4W283 R292 L293W283-A360 HydrophobicContact CB-CB 3.3Å; W283-A360 HydrophobicContact CG-CB 3.84Å; R292-A360 HydrophobicContact CB-CB 3.86Å; R292-A360 HydrophobicContact CG-CB 4.36Å; L293-A360 VanDerWaalsContact O-CA 3.29Å; L293-A360 WeakPolarHBondContact O-CA 3.22Å
361G93.9Very high92.5Very high0 Ų053.1 Ų53.10%025%0.247CC..EExtended strand (participates in β ladder)trans-142.5162.9-178.300000112.5R292 L293 M340R292-G361 CarbonylContact C-O 3.56Å; R292-G361 WeakPolarHBondContact CA-O 3.4Å; R292-G361 WeakPolarHBondContact CB-O 3.45Å; R292-G361 VanDerWaalsContact CD-O 3.25Å; R292-G361 WeakPolarHBondContact CD-O 3.43Å; L293-G361 PolarHBondContact N-O 2.75Å; L293-G361 PolarHBondContact O-N 3.47Å; M340-G361 VanDerWaalsContact SD-CA 3.55Å
362R92Very high92.4Very high94 Ų9452 Ų5236%0.35524%0.24SC..  trans-58143.3172.9-75.7174.6-170.2-148.9-2.5110.8Y295 T337 E338 L364Y295-R362 PolarHBondContact OH-O 3.19Å; T337-R362 WeakPolarHBondContact CG2-O 3.2Å; E338-R362 WeakPolarHBondContact OE1-CG 3.41Å; E338-R362 IonicContact OE1-CZ 3.11Å; E338-R362 IonicContact OE1-NE 2.77Å; E338-R362 PolarHBondContact OE1-NE 2.95Å; E338-R362 IonicContact OE1-NH2 2.67Å; E338-R362 WeakPolarHBondContact OE2-CG 3.44Å; E338-R362 PolarHBondContact OE2-N 2.98Å; E338-R362 IonicContact OE2-NE 3.86Å; R362-L364 PolarHBondContact O-N 2.68Å
363N87.9Confident92.4Very high72 Ų7252.3 Ų52.339%0.38524%0.236SC..  trans-59.6129170.4-172.79.8000110.2C223 L293C223-N363 HydrophobicContact CB-CB 4.46Å; L293-N363 HydrophobicContact CD1-CB 3.93Å; L293-N363 VanDerWaalsContact CD1-OD1 3.23Å; L293-N363 WeakPolarHBondContact CD1-OD1 3.44Å; L293-N363 HydrophobicContact CG-CB 3.92Å
364L87.6Confident92.2Very high12 Ų1246.4 Ų46.46%0.06321%0.213CC..  trans-115.8143.9175.3-72.9-169.3000108.4L321 D323 A335 T337 R362 P367L321-L364 HydrophobicContact CB-CD1 3.55Å; D323-L364 WeakPolarHBondContact OD1-CB 3.45Å; A335-L364 HydrophobicContact CB-CD2 3.86Å; T337-L364 HydrophobicContact CG2-CD1 3.87Å; T337-L364 HydrophobicContact CG2-CG 4.01Å; R362-L364 PolarHBondContact O-N 2.68Å; L364-P367 HydrophobicContact CB-CB 4.29Å; L364-P367 HydrophobicContact CB-CG 4.45Å; L364-P367 HydrophobicContact CD1-CB 4.05Å
365R83.1Confident91.8Very high206 Ų20646.9 Ų46.978%0.77722%0.215SC*.SBendtrans-77-42.6-174.3-69.3-178.8177.6-159-6.1111.9D323D323-R365 PolarHBondContact OD1-N 2.72Å; D323-R365 VanDerWaalsContact OD1-N 3.09Å; D323-R365 PolarHBondContact OD2-N 2.87Å
366E85.5Confident91.3Very high139 Ų13947.1 Ų47.165%0.6522%0.216SC*.SBendtrans-152.572.5-174-166.8175.3-166.600108.2D323 A324 E368D323-E366 WeakPolarHBondContact CA-O 3.43Å; D323-E366 PolarHBondContact OD1-N 2.88Å; A324-E366 PolarHBondContact N-O 2.97Å; A324-E366 VanDerWaalsContact N-O 3.15Å; E366-E368 PolarHBondContact O-N 3.14Å
367P89.4Confident90.6Very high13 Ų1344.5 Ų44.58%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-62130.6178.226.3-34.7000110.3H322 L364 L409 L411H322-P367 WeakPolarHBondContact O-CA 3.18Å; L364-P367 HydrophobicContact CB-CB 4.29Å; L364-P367 HydrophobicContact CB-CG 4.45Å; L364-P367 HydrophobicContact CD1-CB 4.05Å; P367-L409 HydrophobicContact CG-CD1 3.46Å; P367-L409 VanDerWaalsContact CG-CD1 3.46Å; P367-L409 HydrophobicContact CG-CD2 4.03Å; P367-L409 HydrophobicContact CG-CG 4.43Å; P367-L411 HydrophobicContact CB-CD1 3.93Å; P367-L411 HydrophobicContact CG-CD1 4Å; P367-L411 WeakPolarHBondContact O-CD1 3.46Å
368E90.9Very high89.6Confident83 Ų8348.3 Ų48.339%0.38823%0.234SC..EExtended strand (participates in β ladder)trans-117.2-36.6-172.4-169.6-156.713900112.4H322 A324 E366 R430H322-E368 PolarHBondContact O-N 2.89Å; A324-E368 VanDerWaalsContact CA-OE2 3.27Å; A324-E368 WeakPolarHBondContact CA-OE2 3.45Å; A324-E368 HydrophobicContact CB-CB 4.26Å; A324-E368 WeakPolarHBondContact CB-OE2 3.31Å; E366-E368 PolarHBondContact O-N 3.14Å; E368-R430 IonicContact OE1-NH1 3.16Å; E368-R430 PolarHBondContact OE1-NH1 3.43Å
369Y93.5Very high88.7Confident12 Ų1251.5 Ų51.55%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-147.1165-176.672.2-83.7000111.4H322 R334 V428 L429H322-Y369 HydrophobicContact CB-CD1 3.99Å; H322-Y369 HydrophobicContact CB-CD2 4.24Å; H322-Y369 HydrophobicContact CB-CE1 3.43Å; H322-Y369 VanDerWaalsContact CB-CE1 3.43Å; H322-Y369 HydrophobicContact CB-CE2 3.76Å; H322-Y369 HydrophobicContact CB-CG 4.34Å; H322-Y369 WeakPolarHBondContact CB-OH 3.44Å; H322-Y369 AromaticContact CD2-CD2 3.86Å; H322-Y369 AromaticContact CD2-CE2 3.41Å; H322-Y369 VanDerWaalsContact CD2-CE2 3.41Å; H322-Y369 WeakPolarHBondContact CD2-CE2 3.24Å; H322-Y369 AromaticContact CD2-CZ 3.85Å; H322-Y369 AromaticContact CG-CE2 3.62Å; H322-Y369 AromaticContact CG-CZ 3.54Å; H322-Y369 PolarHBondContact N-O 3.09Å; R334-Y369 VanDerWaalsContact CD-OH 3.31Å; R334-Y369 WeakPolarHBondContact CD-OH 3.07Å; R334-Y369 PolarHBondContact NH1-OH 2.83Å; Y369-V428 HydrophobicContact CD2-CG1 3.85Å; Y369-V428 HydrophobicContact CE2-CG1 4.46Å; Y369-L429 WeakPolarHBondContact CB-O 3.32Å
370A95.5Very high87.7Confident0 Ų057.6 Ų57.60%028%0.282CS..EExtended strand (participates in β ladder)trans-125.6144.617700000111.7I319 Q320 L321 L413 L429I319-A370 HydrophobicContact CG2-CB 3.99Å; Q320-A370 CarbonylContact O-C 3.55Å; Q320-A370 WeakPolarHBondContact O-CA 3.49Å; L321-A370 HydrophobicContact CD2-CB 3.95Å; A370-L413 HydrophobicContact CB-CD1 3.44Å; A370-L413 VanDerWaalsContact CB-CD1 3.44Å; A370-L429 PolarHBondContact N-O 3.4Å; A370-L429 VanDerWaalsContact N-O 3.1Å; A370-L429 PolarHBondContact O-N 2.85Å
371T95.4Very high86.8Confident17 Ų1764 Ų6410%0.10431%0.311CS..EExtended strand (participates in β ladder)trans-98.4130.9162.7-52.60000108.4Q320 H322 E426 N427Q320-T371 PolarHBondContact N-O 3.49Å; Q320-T371 PolarHBondContact O-N 2.76Å; H322-T371 PolarHBondContact NE2-OG1 3.41Å; T371-E426 HydrophobicContact CG2-CG 4.11Å; T371-N427 CarbonylContact C-O 3.44Å; T371-N427 WeakPolarHBondContact CA-O 3.44Å
372V96Very high85.8Confident0 Ų067 Ų670%033%0.327CS..EExtended strand (participates in β ladder)trans-114.6128.9-176.6-177.80000109.6L317 S318 I319 L396 I399 I421 N427 L429L317-V372 HydrophobicContact CD1-CG1 3.4Å; L317-V372 VanDerWaalsContact CD1-CG1 3.4Å; L317-V372 HydrophobicContact CG-CG1 4.24Å; S318-V372 WeakPolarHBondContact O-CA 3.45Å; I319-V372 HydrophobicContact CG1-CG2 4.4Å; V372-L396 HydrophobicContact CG1-CD1 4.34Å; V372-I399 HydrophobicContact CG1-CD1 4.48Å; V372-I399 HydrophobicContact CG2-CD1 3.66Å; V372-I421 HydrophobicContact CB-CG2 4.45Å; V372-I421 HydrophobicContact CG1-CG2 3.92Å; V372-N427 HydrophobicContact CB-CB 4.46Å; V372-N427 PolarHBondContact N-O 2.91Å; V372-N427 WeakPolarHBondContact O-CB 3.3Å; V372-N427 PolarHBondContact O-ND2 3.11Å; V372-L429 HydrophobicContact CB-CD1 4.02Å; V372-L429 HydrophobicContact CG2-CD1 3.55Å; V372-L429 HydrophobicContact CG2-CD2 3.93Å; V372-L429 HydrophobicContact CG2-CG 4.24Å
373N94.6Very high84.9Confident30 Ų3066.6 Ų66.616%0.1634%0.337CS..EExtended strand (participates in β ladder)trans-113.7136176.9-177.643.9000109.9S318 M339 E375S318-N373 PolarHBondContact N-O 3.02Å; S318-N373 PolarHBondContact O-N 2.9Å; M339-N373 HydrophobicContact CE-CB 4.34Å; M339-N373 HydrophobicContact SD-CB 4.16Å; N373-E375 WeakPolarHBondContact ND2-CG 3.36Å; N373-E375 PolarHBondContact ND2-OE1 3.34Å
374W92.9Very high84Confident0 Ų071 Ų710%036%0.36CS..EExtended strand (participates in β ladder)trans-118.6116.5177.2-179.9-109.1000109.7E313 G315 L317 F349 I394 I421 T423E313-W374 HydrophobicContact CB-CZ2 4.11Å; E313-W374 HydrophobicContact CG-CZ2 3.56Å; G315-W374 VanDerWaalsContact CA-CH2 3.43Å; G315-W374 VanDerWaalsContact CA-CZ2 3.41Å; L317-W374 HydrophobicContact CB-CE3 4.16Å; L317-W374 HydrophobicContact CB-CZ3 4.11Å; L317-W374 HydrophobicContact CD1-CE3 3.9Å; L317-W374 HydrophobicContact CD1-CZ3 4.43Å; F349-W374 AromaticContact CD2-CH2 3.5Å; F349-W374 HydrophobicContact CD2-CH2 3.5Å; F349-W374 AromaticContact CD2-CZ3 3.76Å; F349-W374 HydrophobicContact CD2-CZ3 3.76Å; F349-W374 AromaticContact CE2-CH2 3.71Å; F349-W374 HydrophobicContact CE2-CH2 3.71Å; F349-W374 AromaticContact CE2-CZ3 3.57Å; F349-W374 HydrophobicContact CE2-CZ3 3.57Å; F349-W374 HydrophobicContact CG-CH2 4.46Å; F349-W374 HydrophobicContact CZ-CZ3 4.39Å; W374-I394 HydrophobicContact CB-CG2 4.41Å; W374-I394 HydrophobicContact CD2-CB 4.18Å; W374-I394 HydrophobicContact CD2-CG2 3.65Å; W374-I394 HydrophobicContact CE3-CB 4.34Å; W374-I394 HydrophobicContact CE3-CD1 4.42Å; W374-I394 HydrophobicContact CE3-CG2 3.66Å; W374-I394 HydrophobicContact CG-CG2 3.97Å; W374-I394 HydrophobicContact CH2-CD1 3.99Å; W374-I394 HydrophobicContact CZ2-CB 4.44Å; W374-I394 HydrophobicContact CZ3-CD1 3.88Å; W374-I394 HydrophobicContact CZ3-CG2 4.19Å; W374-I421 HydrophobicContact CB-CG2 3.86Å; W374-T423 VanDerWaalsContact CD1-OG1 3.3Å; W374-T423 VanDerWaalsContact O-CA 3.29Å; W374-T423 WeakPolarHBondContact O-CA 3.1Å; W374-T423 VanDerWaalsContact O-CB 3.26Å; W374-T423 WeakPolarHBondContact O-CB 3.31Å; W374-T423 WeakPolarHBondContact O-CG2 3.31Å; W374-T423 PolarHBondContact O-OG1 3.19Å
375E90.1Very high83Confident83 Ų8371.7 Ų71.739%0.38837%0.365SS..EExtended strand (participates in β ladder)trans-116.1127.3-179.6-70.7178.2-174.400111.5G315 I316 N373G315-E375 CarbonylContact C-O 3.52Å; G315-E375 VanDerWaalsContact CA-O 3.24Å; G315-E375 WeakPolarHBondContact CA-O 3.4Å; I316-E375 HydrophobicContact CB-CB 4.39Å; I316-E375 PolarHBondContact N-O 2.83Å; I316-E375 PolarHBondContact O-N 2.95Å; N373-E375 WeakPolarHBondContact ND2-CG 3.36Å; N373-E375 PolarHBondContact ND2-OE1 3.34Å
376Y84.6Confident82.4Confident51 Ų5167.3 Ų67.320%0.235%0.348CS..  trans-94.6122.2168.1-177.4-92000109.6V314 T378 T385 R387 P392V314-Y376 WeakPolarHBondContact O-CD2 3.44Å; Y376-T378 HydrophobicContact CD1-CG2 3.69Å; Y376-T378 HydrophobicContact CE1-CG2 4.14Å; Y376-T378 PolarHBondContact O-N 3.47Å; Y376-T385 WeakPolarHBondContact CE1-O 3.37Å; Y376-R387 HydrophobicContact CD1-CG 4.47Å; Y376-R387 HydrophobicContact CE1-CG 4.18Å; Y376-R387 VanDerWaalsContact CE2-CZ 3.41Å; Y376-R387 VanDerWaalsContact CE2-NE 3.28Å; Y376-R387 VanDerWaalsContact CE2-NH2 3.27Å; Y376-P392 HydrophobicContact CG-CB 4.44Å; Y376-P392 HydrophobicContact CG-CG 4.19Å
377P77.9Confident81.6Confident66 Ų6664.6 Ų64.643%0.42933%0.332SS..  trans-69104.3178.229.6-35.4000110.1A346A346-P377 HydrophobicContact CB-CG 3.67Å
378T72.7Confident80.3Confident86 Ų8670.4 Ų70.453%0.52836%0.361SS..  trans-92137.9171.653.20000110.3Y376Y376-T378 HydrophobicContact CD1-CG2 3.69Å; Y376-T378 HydrophobicContact CE1-CG2 4.14Å; Y376-T378 PolarHBondContact O-N 3.47Å
379N72.8Confident79Confident81 Ų8174.9 Ų74.943%0.43339%0.386SS..  trans-105.2113.2170.9-178.4-18.1000109.1L381 N382 T385 W386N379-L381 PolarHBondContact O-N 2.86Å; N379-L381 VanDerWaalsContact O-N 3.14Å; N379-L381 WeakPolarHBondContact OD1-CB 3.29Å; N379-L381 PolarHBondContact OD1-N 3.32Å; N379-N382 HydrophobicContact CB-CB 4.06Å; N379-N382 CarbonylContact O-C 3.49Å; N379-N382 PolarHBondContact O-N 2.8Å; N379-N382 VanDerWaalsContact O-O 3.1Å; N379-T385 HydrophobicContact CB-CG2 4.35Å; N379-T385 PolarHBondContact N-OG1 3.25Å; N379-T385 PolarHBondContact O-OG1 2.91Å; N379-T385 VanDerWaalsContact O-OG1 3.11Å; N379-W386 PolarHBondContact O-NE1 3.47Å
380I70.9Confident77.8Confident137 Ų13777.6 Ų77.670%0.70341%0.407SS*.THydrogen-bonded Turntrans-63.3-20.4-178.4-55.3170000112W386I380-W386 HydrophobicContact CG2-CZ2 4.34Å; I380-W386 WeakPolarHBondContact O-CZ2 3.3Å
381L76.7Confident76.8Confident162 Ų16280.7 Ų80.785%0.84843%0.433SS*.THydrogen-bonded Turntrans-92.8-5.9176.2-59.2176.4000113N379N379-L381 PolarHBondContact O-N 2.86Å; N379-L381 VanDerWaalsContact O-N 3.14Å; N379-L381 WeakPolarHBondContact OD1-CB 3.29Å; N379-L381 PolarHBondContact OD1-N 3.32Å
382N72.3Confident76.2Confident62 Ų6280.8 Ų80.833%0.33243%0.434SS..  trans-12396.7178.7-174.2-1.3000111.4N379 L384 T385N379-N382 HydrophobicContact CB-CB 4.06Å; N379-N382 CarbonylContact O-C 3.49Å; N379-N382 PolarHBondContact O-N 2.8Å; N379-N382 VanDerWaalsContact O-O 3.1Å; N382-L384 PolarHBondContact O-N 3.35Å; N382-L384 VanDerWaalsContact O-N 3.07Å; N382-L384 WeakPolarHBondContact OD1-CB 3.43Å; N382-L384 PolarHBondContact OD1-N 2.68Å; N382-T385 HydrophobicContact CB-CG2 4.19Å; N382-T385 PolarHBondContact O-N 2.84Å; N382-T385 PolarHBondContact O-OG1 3.37Å
383P73.4Confident75.9Confident87 Ų8785.5 Ų85.557%0.56545%0.452SS*.G310 helixtrans-57.9-23.8-178.7-24.734000114.6T385 W386P383-T385 PolarHBondContact O-N 3.29Å; P383-W386 HydrophobicContact CB-CD2 4.5Å; P383-W386 WeakPolarHBondContact O-CB 3.13Å; P383-W386 PolarHBondContact O-N 3.46Å; P383-W386 VanDerWaalsContact O-N 3.1Å
384L68.1Low75.9Confident164 Ų16484.2 Ų84.286%0.85945%0.445SS*.G310 helixtrans-67.3-17.9176.7-62.4174.2000112.9N382N382-L384 PolarHBondContact O-N 3.35Å; N382-L384 VanDerWaalsContact O-N 3.07Å; N382-L384 WeakPolarHBondContact OD1-CB 3.43Å; N382-L384 PolarHBondContact OD1-N 2.68Å
385T67.7Low76Confident27 Ų2785 Ų8517%0.16645%0.448CS..G310 helixtrans-89.8-3.5175.866.90000112.7Y376 N379 N382 P383 R387Y376-T385 WeakPolarHBondContact CE1-O 3.37Å; N379-T385 HydrophobicContact CB-CG2 4.35Å; N379-T385 PolarHBondContact N-OG1 3.25Å; N379-T385 PolarHBondContact O-OG1 2.91Å; N379-T385 VanDerWaalsContact O-OG1 3.11Å; N382-T385 HydrophobicContact CB-CG2 4.19Å; N382-T385 PolarHBondContact O-N 2.84Å; N382-T385 PolarHBondContact O-OG1 3.37Å; P383-T385 PolarHBondContact O-N 3.29Å; T385-R387 PolarHBondContact O-N 2.85Å
386W69.8Low76.3Confident114 Ų11481.1 Ų81.143%0.43243%0.43SS..  trans-85.8110.9-175.8-61.81.6000110.6N379 I380 P383 I388N379-W386 PolarHBondContact O-NE1 3.47Å; I380-W386 HydrophobicContact CG2-CZ2 4.34Å; I380-W386 WeakPolarHBondContact O-CZ2 3.3Å; P383-W386 HydrophobicContact CB-CD2 4.5Å; P383-W386 WeakPolarHBondContact O-CB 3.13Å; P383-W386 PolarHBondContact O-N 3.46Å; P383-W386 VanDerWaalsContact O-N 3.1Å; W386-I388 VanDerWaalsContact C-N 3.29Å; W386-I388 HydrophobicContact CB-CD1 4.12Å; W386-I388 HydrophobicContact CB-CG1 3.76Å; W386-I388 HydrophobicContact CE3-CD1 4.08Å; W386-I388 PolarHBondContact O-N 3.46Å; W386-I388 VanDerWaalsContact O-N 3.09Å
387R68.5Low76.8Confident82 Ų8282.1 Ų82.131%0.30944%0.436SS..  trans-86.968.9175.5-66.1-173.9171.4-157.58.6110.8E313 Y376 T385 L389E313-R387 IonicContact OE1-CZ 3.63Å; E313-R387 IonicContact OE1-NH1 3.93Å; E313-R387 PolarHBondContact OE1-NH1 3.47Å; E313-R387 IonicContact OE1-NH2 2.71Å; E313-R387 PolarHBondContact OE1-NH2 2.89Å; E313-R387 IonicContact OE2-CZ 3.99Å; E313-R387 IonicContact OE2-NH1 3.81Å; E313-R387 PolarHBondContact OE2-NH1 3.24Å; Y376-R387 HydrophobicContact CD1-CG 4.47Å; Y376-R387 HydrophobicContact CE1-CG 4.18Å; Y376-R387 VanDerWaalsContact CE2-CZ 3.41Å; Y376-R387 VanDerWaalsContact CE2-NE 3.28Å; Y376-R387 VanDerWaalsContact CE2-NH2 3.27Å; T385-R387 PolarHBondContact O-N 2.85Å; R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 2.99Å
388I62.8Low77.7Confident135 Ų13580.8 Ų80.869%0.69242%0.423SS*.THydrogen-bonded Turntrans-69.4-26.6-171-54173.7000112.6W386W386-I388 VanDerWaalsContact C-N 3.29Å; W386-I388 HydrophobicContact CB-CD1 4.12Å; W386-I388 HydrophobicContact CB-CG1 3.76Å; W386-I388 HydrophobicContact CE3-CD1 4.08Å; W386-I388 PolarHBondContact O-N 3.46Å; W386-I388 VanDerWaalsContact O-N 3.09Å
389L62.8Low78.9Confident176 Ų17676.7 Ų76.792%0.92140%0.398SS*.THydrogen-bonded Turntrans-105.7-6.4-170.7-61.6175.4000114.3R387R387-L389 VanDerWaalsContact C-N 3.3Å; R387-L389 PolarHBondContact O-N 2.99Å
390S68.4Low80.1Confident69 Ų6973.9 Ų73.948%0.48338%0.383SS..SBendtrans-149.1125.5-176.460.40000111P392S390-P392 WeakPolarHBondContact O-CD 3.08Å
391A74.4Confident81.2Confident66 Ų6667.4 Ų67.455%0.54535%0.349SS..  trans-63.3124.2170.700000109.3R393A391-R393 PolarHBondContact O-N 2.76Å
392P83.4Confident82Confident18 Ų1861.9 Ų61.912%0.11732%0.319CS..  trans-58.1137.8174.2-17.828.8000110.2Y376 S390 T423Y376-P392 HydrophobicContact CG-CB 4.44Å; Y376-P392 HydrophobicContact CG-CG 4.19Å; S390-P392 WeakPolarHBondContact O-CD 3.08Å; P392-T423 PolarHBondContact O-N 3Å; P392-T423 VanDerWaalsContact O-N 3.16Å; P392-T423 PolarHBondContact O-OG1 2.81Å
393R90.1Very high82.8Confident99 Ų9959.5 Ų59.537%0.37431%0.308SS..EExtended strand (participates in β ladder)trans-152.9154.2-176.764.2-174.9168.3-167.6-5111.3H310 A391 Y395 A420 I421 L422H310-R393 PolarHBondContact ND1-NE 2.04Å; H310-R393 PolarHBondContact NE2-O 2.8Å; A391-R393 PolarHBondContact O-N 2.76Å; R393-Y395 HydrophobicContact CG-CE2 4.44Å; R393-A420 HydrophobicContact CB-CB 4.23Å; R393-I421 VanDerWaalsContact CA-O 3.25Å; R393-I421 WeakPolarHBondContact CA-O 3.36Å; R393-L422 HydrophobicContact CB-CD2 3.68Å
394I93.6Very high83.6Confident4 Ų456.4 Ų56.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-135147.8173.5-172.2170.9000108.9V301 F349 W374 L396 I421V301-I394 HydrophobicContact CG1-CG1 4.37Å; V301-I394 HydrophobicContact CG2-CD1 4.42Å; F349-I394 HydrophobicContact CB-CD1 3.56Å; F349-I394 HydrophobicContact CD1-CD1 4.24Å; F349-I394 HydrophobicContact CD2-CD1 4.16Å; F349-I394 HydrophobicContact CG-CD1 3.76Å; W374-I394 HydrophobicContact CB-CG2 4.41Å; W374-I394 HydrophobicContact CD2-CB 4.18Å; W374-I394 HydrophobicContact CD2-CG2 3.65Å; W374-I394 HydrophobicContact CE3-CB 4.34Å; W374-I394 HydrophobicContact CE3-CD1 4.42Å; W374-I394 HydrophobicContact CE3-CG2 3.66Å; W374-I394 HydrophobicContact CG-CG2 3.97Å; W374-I394 HydrophobicContact CH2-CD1 3.99Å; W374-I394 HydrophobicContact CZ2-CB 4.44Å; W374-I394 HydrophobicContact CZ3-CD1 3.88Å; W374-I394 HydrophobicContact CZ3-CG2 4.19Å; I394-L396 HydrophobicContact CD1-CD2 3.97Å; I394-L396 HydrophobicContact CG1-CD2 4.06Å; I394-L396 HydrophobicContact CG2-CD2 4.39Å; I394-I421 HydrophobicContact CG2-CB 3.8Å; I394-I421 HydrophobicContact CG2-CG1 4.27Å; I394-I421 HydrophobicContact CG2-CG2 4.34Å; I394-I421 PolarHBondContact N-O 3.14Å; I394-I421 VanDerWaalsContact N-O 3.14Å; I394-I421 WeakPolarHBondContact O-CB 3.25Å; I394-I421 PolarHBondContact O-N 2.95Å
395Y95.3Very high84.5Confident17 Ų1750.6 Ų50.67%0.06726%0.255CS..  trans-105.4120.5175.6-61.2-99.4000108.6V301 S302 E306 H310 R393 A420V301-Y395 VanDerWaalsContact CG1-O 3.31Å; V301-Y395 WeakPolarHBondContact CG1-O 3.36Å; S302-Y395 WeakPolarHBondContact CB-O 3.22Å; S302-Y395 PolarHBondContact N-O 2.69Å; E306-Y395 HydrophobicContact CB-CE1 4.07Å; H310-Y395 HydrophobicContact CB-CD2 4.43Å; H310-Y395 HydrophobicContact CB-CE2 3.8Å; H310-Y395 AromaticContact CG-CE2 3.95Å; R393-Y395 HydrophobicContact CG-CE2 4.44Å; Y395-A420 HydrophobicContact CD1-CB 3.86Å; Y395-A420 HydrophobicContact CE1-CB 3.54Å; Y395-A420 HydrophobicContact CE2-CB 4.35Å; Y395-A420 HydrophobicContact CG-CB 4.4Å
396L95.8Very high85.1Confident1 Ų151.5 Ų51.51%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-104.2140.3177.1-57.7-174.9000109.2V299 R300 L317 V372 I394 I399 P415 I421V299-L396 HydrophobicContact CG1-CD1 4.25Å; V299-L396 HydrophobicContact CG1-CD2 3.57Å; V299-L396 HydrophobicContact CG1-CG 4.5Å; R300-L396 WeakPolarHBondContact O-CA 3.42Å; L317-L396 HydrophobicContact CD1-CD1 4.27Å; V372-L396 HydrophobicContact CG1-CD1 4.34Å; I394-L396 HydrophobicContact CD1-CD2 3.97Å; I394-L396 HydrophobicContact CG1-CD2 4.06Å; I394-L396 HydrophobicContact CG2-CD2 4.39Å; L396-I399 HydrophobicContact CD1-CD1 3.88Å; L396-I399 HydrophobicContact CD1-CG1 4.09Å; L396-P415 WeakPolarHBondContact O-CG 3.48Å; L396-I421 HydrophobicContact CB-CG1 4.43Å; L396-I421 HydrophobicContact CD1-CD1 4.46Å; L396-I421 HydrophobicContact CD1-CG1 3.84Å; L396-I421 HydrophobicContact CG-CG1 3.82Å
397E95.9Very high85.2Confident72 Ų7251.1 Ų51.134%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-83.5-51170.5-168.4177163.500109.7R300R300-E397 HydrophobicContact CB-CB 4.15Å; R300-E397 HydrophobicContact CG-CB 3.72Å; R300-E397 HydrophobicContact CG-CG 4.35Å; R300-E397 VanDerWaalsContact CG-OE2 3.28Å; R300-E397 WeakPolarHBondContact CG-OE2 3.25Å; R300-E397 IonicContact NE-OE2 2.91Å; R300-E397 PolarHBondContact O-N 3.07Å
398Y97.1Very high85.8Confident37 Ų3754.2 Ų54.215%0.14530%0.3CS..EExtended strand (participates in β ladder)trans-155.8163.8174.759.9-102.5000111.5R300 E354 L400 L413R300-Y398 HydrophobicContact CB-CD1 3.87Å; R300-Y398 HydrophobicContact CB-CD2 3.82Å; R300-Y398 HydrophobicContact CB-CE1 3.58Å; R300-Y398 HydrophobicContact CB-CE2 3.5Å; R300-Y398 VanDerWaalsContact CB-CE2 3.5Å; R300-Y398 HydrophobicContact CB-CG 3.99Å; R300-Y398 HydrophobicContact CG-CD1 4.1Å; R300-Y398 HydrophobicContact CG-CE1 3.58Å; R300-Y398 HydrophobicContact CG-CE2 4.35Å; R300-Y398 PolarHBondContact N-O 3.39Å; E354-Y398 PolarHBondContact OE2-OH 2.99Å; Y398-L400 HydrophobicContact CD2-CD1 4.37Å; Y398-L400 HydrophobicContact CD2-CD2 3.69Å; Y398-L400 HydrophobicContact CD2-CG 3.64Å; Y398-L400 HydrophobicContact CE2-CD1 3.85Å; Y398-L400 HydrophobicContact CE2-CD2 3.99Å; Y398-L400 HydrophobicContact CE2-CG 3.61Å; Y398-L400 HydrophobicContact CG-CD2 4.48Å; Y398-L413 CarbonylContact C-O 3.59Å; Y398-L413 WeakPolarHBondContact CA-O 3.41Å
399I97.4Very high87Confident0 Ų049.3 Ų49.30%028%0.275CS..EExtended strand (participates in β ladder)trans-119.8127.7162.4-56.2-175.1000107.6I297 T298 V299 I319 V372 L396 I401 L413 L429I297-I399 HydrophobicContact CG2-CG2 3.66Å; T298-I399 CarbonylContact O-C 3.58Å; T298-I399 VanDerWaalsContact O-CA 3.3Å; T298-I399 WeakPolarHBondContact O-CA 3.46Å; V299-I399 HydrophobicContact CG2-CG1 4.3Å; V299-I399 HydrophobicContact CG2-CG2 4.37Å; I319-I399 HydrophobicContact CD1-CD1 3.98Å; I319-I399 HydrophobicContact CD1-CG2 4.2Å; I319-I399 HydrophobicContact CG1-CD1 4.24Å; V372-I399 HydrophobicContact CG1-CD1 4.48Å; V372-I399 HydrophobicContact CG2-CD1 3.66Å; L396-I399 HydrophobicContact CD1-CD1 3.88Å; L396-I399 HydrophobicContact CD1-CG1 4.09Å; I399-I401 HydrophobicContact CG2-CD1 4.26Å; I399-I401 HydrophobicContact CG2-CG1 3.9Å; I399-L413 PolarHBondContact N-O 3.34Å; I399-L413 PolarHBondContact O-N 3.03Å; I399-L429 HydrophobicContact CB-CD2 4.48Å; I399-L429 HydrophobicContact CD1-CD2 3.7Å; I399-L429 HydrophobicContact CG1-CD2 3.82Å
400L96.7Very high88.3Confident23 Ų2347.2 Ų47.212%0.1226%0.255CS..EExtended strand (participates in β ladder)trans-98.4138.5167.7-47.2177.1000109.3I297 T298 Y398 L411 K412I297-L400 WeakPolarHBondContact CA-O 3.19Å; T298-L400 HydrophobicContact CG2-CD1 4.45Å; T298-L400 PolarHBondContact N-O 3.18Å; T298-L400 PolarHBondContact O-N 3.03Å; Y398-L400 HydrophobicContact CD2-CD1 4.37Å; Y398-L400 HydrophobicContact CD2-CD2 3.69Å; Y398-L400 HydrophobicContact CD2-CG 3.64Å; Y398-L400 HydrophobicContact CE2-CD1 3.85Å; Y398-L400 HydrophobicContact CE2-CD2 3.99Å; Y398-L400 HydrophobicContact CE2-CG 3.61Å; Y398-L400 HydrophobicContact CG-CD2 4.48Å; L400-L411 CarbonylContact C-O 3.55Å; L400-L411 VanDerWaalsContact CA-O 3.3Å; L400-L411 WeakPolarHBondContact CA-O 3.2Å; L400-K412 HydrophobicContact CD2-CB 3.63Å; L400-K412 HydrophobicContact CD2-CD 4.04Å; L400-K412 HydrophobicContact CD2-CG 3.53Å
401I94.9Very high89.5Confident0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-131.8121.3-179.7-56-178.6000108.1Y295 I297 I319 L321 I399 Y410 L411 L413Y295-I401 HydrophobicContact CD1-CG2 3.98Å; Y295-I401 HydrophobicContact CG-CG2 4.47Å; I297-I401 HydrophobicContact CG1-CG1 4.49Å; I319-I401 HydrophobicContact CG2-CD1 4.38Å; L321-I401 HydrophobicContact CD1-CD1 4.43Å; L321-I401 HydrophobicContact CD1-CG2 4Å; L321-I401 HydrophobicContact CD2-CD1 3.23Å; L321-I401 HydrophobicContact CG-CD1 4.22Å; I399-I401 HydrophobicContact CG2-CD1 4.26Å; I399-I401 HydrophobicContact CG2-CG1 3.9Å; I401-Y410 WeakPolarHBondContact O-CA 3.32Å; I401-L411 HydrophobicContact CB-CB 4.31Å; I401-L411 PolarHBondContact N-O 3.23Å; I401-L411 PolarHBondContact O-N 3.09Å; I401-L413 HydrophobicContact CD1-CD1 3.82Å
402E92.8Very high90.6Very high47 Ų4745.8 Ų45.822%0.2223%0.229CC..EExtended strand (participates in β ladder)trans-126141.7177.3-61.8166.4102.300108.6Y295 R296 L409 Y410Y295-E402 CarbonylContact C-O 3.49Å; Y295-E402 WeakPolarHBondContact CA-O 3.31Å; R296-E402 HydrophobicContact CB-CB 4.37Å; R296-E402 IonicContact CZ-OE1 3.69Å; R296-E402 IonicContact CZ-OE2 3.25Å; R296-E402 VanDerWaalsContact CZ-OE2 3.29Å; R296-E402 PolarHBondContact N-O 3.38Å; R296-E402 IonicContact NE-OE2 3.98Å; R296-E402 PolarHBondContact NE-OE2 2.96Å; R296-E402 IonicContact NH2-OE1 2.64Å; R296-E402 PolarHBondContact NH2-OE1 2.97Å; R296-E402 IonicContact NH2-OE2 3.04Å; R296-E402 PolarHBondContact NH2-OE2 3.07Å; R296-E402 PolarHBondContact O-N 3.49Å; E402-L409 WeakPolarHBondContact CA-O 3.13Å; E402-Y410 HydrophobicContact CG-CD2 3.85Å; E402-Y410 HydrophobicContact CG-CE2 4.41Å
403A90.3Very high91.2Very high11 Ų1145 Ų459%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-93.5136.8169.900000110.4Y295 S406 L409Y295-A403 HydrophobicContact CD1-CB 4.27Å; Y295-A403 HydrophobicContact CE1-CB 4.26Å; A403-S406 CarbonylContact O-C 3.57Å; A403-L409 HydrophobicContact CB-CB 4.01Å; A403-L409 HydrophobicContact CB-CD2 3.82Å; A403-L409 HydrophobicContact CB-CG 4.44Å
404M89.1Confident91.6Very high23 Ų2340.8 Ų40.811%0.11321%0.21CC..SBendtrans-71.2-35174.9-169.3178.17500111.4L226 I228 T242 H294 L358 S406L226-M404 HydrophobicContact CD2-CE 4.13Å; I228-M404 HydrophobicContact CB-CE 4.35Å; I228-M404 HydrophobicContact CD1-SD 3.96Å; I228-M404 HydrophobicContact CG2-CE 4.38Å; T242-M404 WeakPolarHBondContact O-CG 3.24Å; H294-M404 HydrophobicContact CB-CB 4.02Å; H294-M404 HydrophobicContact CB-CE 3.93Å; H294-M404 HydrophobicContact CB-SD 4.4Å; H294-M404 WeakPolarHBondContact O-CB 3.3Å; H294-M404 PolarHBondContact O-N 2.81Å; L358-M404 HydrophobicContact CD2-SD 4.5Å; M404-S406 VanDerWaalsContact C-N 3.32Å; M404-S406 PolarHBondContact O-N 3.11Å
405E87.9Confident91.7Very high41 Ų4141 Ų4119%0.19221%0.211CC..SBendtrans-79.1-10-179.4-64.178.6177.400114.2P224 L226 L293 H294P224-E405 HydrophobicContact CG-CB 4.2Å; P224-E405 HydrophobicContact CG-CG 3.7Å; L226-E405 HydrophobicContact CB-CG 3.71Å; L226-E405 HydrophobicContact CD2-CB 4.29Å; L226-E405 HydrophobicContact CD2-CG 3.69Å; L226-E405 HydrophobicContact CG-CG 4.35Å; L293-E405 HydrophobicContact CD2-CB 3.93Å; L293-E405 HydrophobicContact CD2-CG 3.74Å; H294-E405 IonicContact CE1-OE1 3.6Å; H294-E405 IonicContact CG-OE1 2.85Å; H294-E405 VanDerWaalsContact N-CD 3.32Å; H294-E405 PolarHBondContact N-OE1 2.87Å; H294-E405 PolarHBondContact N-OE2 3.04Å; H294-E405 IonicContact ND1-OE1 2.68Å; H294-E405 PolarHBondContact ND1-OE1 3.19Å
406S79.4Confident91.6Very high47 Ų4745 Ų4533%0.32923%0.23SC..  trans-148.8114-177177.20000110.3A403 M404 D408 L409A403-S406 CarbonylContact O-C 3.57Å; M404-S406 VanDerWaalsContact C-N 3.32Å; M404-S406 PolarHBondContact O-N 3.11Å; S406-D408 PolarHBondContact O-N 3.1Å; S406-L409 PolarHBondContact O-N 3.15Å
407S73Confident91.2Very high105 Ų10552.8 Ų52.873%0.73427%0.267SS*.THydrogen-bonded Turntrans-66.5-15.617648.40000113.7
408D80.7Confident90.6Very high148 Ų14852.8 Ų52.879%0.79127%0.267SS*.THydrogen-bonded Turntrans-80.8-20.3-177.6-63.4-37.4000113S406 Y410S406-D408 PolarHBondContact O-N 3.1Å; D408-Y410 PolarHBondContact O-N 3.33Å
409L87.3Confident90.1Very high31 Ų3152.5 Ų52.516%0.16228%0.275CS..  trans-85.3105.9-179.7-178.463.6000110.9Y295 P367 E402 A403 S406 L411Y295-L409 HydrophobicContact CD1-CD2 4.03Å; Y295-L409 HydrophobicContact CE1-CD2 3.57Å; P367-L409 HydrophobicContact CG-CD1 3.46Å; P367-L409 VanDerWaalsContact CG-CD1 3.46Å; P367-L409 HydrophobicContact CG-CD2 4.03Å; P367-L409 HydrophobicContact CG-CG 4.43Å; E402-L409 WeakPolarHBondContact CA-O 3.13Å; A403-L409 HydrophobicContact CB-CB 4.01Å; A403-L409 HydrophobicContact CB-CD2 3.82Å; A403-L409 HydrophobicContact CB-CG 4.44Å; S406-L409 PolarHBondContact O-N 3.15Å; L409-L411 HydrophobicContact CD1-CD1 4.08Å; L409-L411 HydrophobicContact CD1-CG 3.94Å
410Y91.8Very high89.8Confident132 Ų13253.6 Ų53.652%0.51828%0.284SS..EExtended strand (participates in β ladder)trans-134.3116.9168.6-179.9-89.4000110.1I401 E402 D408 K412I401-Y410 WeakPolarHBondContact O-CA 3.32Å; E402-Y410 HydrophobicContact CG-CD2 3.85Å; E402-Y410 HydrophobicContact CG-CE2 4.41Å; D408-Y410 PolarHBondContact O-N 3.33Å; Y410-K412 HydrophobicContact CE1-CB 4.4Å
411L93.8Very high89.7Confident23 Ų2352.6 Ų52.612%0.1228%0.279CS..EExtended strand (participates in β ladder)trans-124.2123.6175.7-61.3173.2000110.7P367 L400 I401 L409 L413P367-L411 HydrophobicContact CB-CD1 3.93Å; P367-L411 HydrophobicContact CG-CD1 4Å; P367-L411 WeakPolarHBondContact O-CD1 3.46Å; L400-L411 CarbonylContact C-O 3.55Å; L400-L411 VanDerWaalsContact CA-O 3.3Å; L400-L411 WeakPolarHBondContact CA-O 3.2Å; I401-L411 HydrophobicContact CB-CB 4.31Å; I401-L411 PolarHBondContact N-O 3.23Å; I401-L411 PolarHBondContact O-N 3.09Å; L409-L411 HydrophobicContact CD1-CD1 4.08Å; L409-L411 HydrophobicContact CD1-CG 3.94Å; L411-L413 HydrophobicContact CB-CD2 4.29Å; L411-L413 HydrophobicContact CB-CG 4.24Å
412K96.5Very high89.5Confident82 Ų8255.9 Ų55.936%0.35730%0.296SS..EExtended strand (participates in β ladder)trans-101114.2164.5-179175.8-178.1-173.20108.5L400 Y410 S431 C434L400-K412 HydrophobicContact CD2-CB 3.63Å; L400-K412 HydrophobicContact CD2-CD 4.04Å; L400-K412 HydrophobicContact CD2-CG 3.53Å; Y410-K412 HydrophobicContact CE1-CB 4.4Å; K412-S431 VanDerWaalsContact O-CA 3.27Å; K412-S431 WeakPolarHBondContact O-CA 3.25Å; K412-S431 WeakPolarHBondContact O-CB 3.37Å; K412-S431 PolarHBondContact O-OG 3.33Å; K412-C434 PolarHBondContact O-SG 2.86Å
413L96.8Very high89.2Confident1 Ų156.1 Ų56.11%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-116131.8-176.7-54.7178.7000110A370 Y398 I399 I401 L411 L429 S431A370-L413 HydrophobicContact CB-CD1 3.44Å; A370-L413 VanDerWaalsContact CB-CD1 3.44Å; Y398-L413 CarbonylContact C-O 3.59Å; Y398-L413 WeakPolarHBondContact CA-O 3.41Å; I399-L413 PolarHBondContact N-O 3.34Å; I399-L413 PolarHBondContact O-N 3.03Å; I401-L413 HydrophobicContact CD1-CD1 3.82Å; L411-L413 HydrophobicContact CB-CD2 4.29Å; L411-L413 HydrophobicContact CB-CG 4.24Å; L413-L429 HydrophobicContact CB-CB 3.86Å; L413-S431 WeakPolarHBondContact CD2-OG 3.48Å
414C97.1Very high88.8Confident11 Ų1159.1 Ų59.17%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-122.8152.3-178.4-54.40000111L429 R430 Y433 C434C414-L429 WeakPolarHBondContact O-CA 3.26Å; C414-R430 PolarHBondContact N-O 3.2Å; C414-R430 VanDerWaalsContact N-O 3.14Å; C414-R430 PolarHBondContact O-N 3.16Å; C414-Y433 WeakPolarHBondContact O-CB 3.45Å; C414-Y433 WeakPolarHBondContact O-CD2 3.29Å; C414-C434 HydrophobicContact CB-CB 3.93Å; C414-C434 WeakPolarHBondContact CB-SG 3.16Å; C414-C434 PolarHBondContact N-SG 3.14Å; C414-C434 WeakPolarHBondContact SG-CA 3.41Å; C414-C434 WeakPolarHBondContact SG-CB 3.39Å; C414-C434 CovalentContact SG-SG 2.04Å; C414-C434 PolarHBondContact SG-SG 3.29Å
415P95.6Very high88.6Confident9 Ų960 Ų606%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-72147.5174.227.4-30.4000110.9L396 H417 E418 I421 L429L396-P415 WeakPolarHBondContact O-CG 3.48Å; P415-H417 PolarHBondContact O-N 2.67Å; P415-E418 PolarHBondContact O-N 2.77Å; P415-I421 HydrophobicContact CB-CD1 4.29Å; P415-L429 HydrophobicContact CB-CG 4.36Å
416Q93.3Very high88.6Confident100 Ų10065.6 Ų65.647%0.46737%0.37SS..G310 helixtrans-63.9128.3178-159.3-176.6-15.900110.2E418 G419 Y433Q416-E418 PolarHBondContact O-N 2.99Å; Q416-E418 VanDerWaalsContact O-N 3.14Å; Q416-G419 PolarHBondContact O-N 3.46Å; Q416-G419 VanDerWaalsContact O-N 3.07Å; Q416-Y433 HydrophobicContact CB-CD2 3.69Å; Q416-Y433 HydrophobicContact CB-CE2 3.65Å; Q416-Y433 HydrophobicContact CB-CG 4.2Å; Q416-Y433 HydrophobicContact CG-CD1 4.25Å; Q416-Y433 HydrophobicContact CG-CD2 4.18Å; Q416-Y433 HydrophobicContact CG-CE1 4.1Å; Q416-Y433 HydrophobicContact CG-CE2 4.01Å; Q416-Y433 HydrophobicContact CG-CG 4.29Å
417H88.3Confident89.3Confident166 Ų16664.1 Ų64.177%0.76936%0.358SS*.G310 helixtrans53.131.1178.9-52.8-60.5000114.6P415 G419P415-H417 PolarHBondContact O-N 2.67Å; H417-G419 PolarHBondContact O-N 2.77Å; H417-G419 VanDerWaalsContact O-N 3.09Å
418E83.9Confident90.3Very high71 Ų7161 Ų6133%0.33234%0.335SS..G310 helixtrans58.122.4-178.1-64.2164.8-172.800113.6P415 Q416 K435P415-E418 PolarHBondContact O-N 2.77Å; Q416-E418 PolarHBondContact O-N 2.99Å; Q416-E418 VanDerWaalsContact O-N 3.14Å; E418-K435 WeakPolarHBondContact OE1-CE 3.42Å; E418-K435 IonicContact OE1-NZ 3.21Å; E418-K435 PolarHBondContact OE1-NZ 3.4Å; E418-K435 IonicContact OE2-NZ 3.44Å
419G86.2Confident91.1Very high31 Ų3154 Ų5432%0.3230%0.297SS..  trans-64150.4-177.600000113.4Q416 H417Q416-G419 PolarHBondContact O-N 3.46Å; Q416-G419 VanDerWaalsContact O-N 3.07Å; H417-G419 PolarHBondContact O-N 2.77Å; H417-G419 VanDerWaalsContact O-N 3.09Å
420A91.7Very high91.5Very high23 Ų2355 Ų5519%0.1930%0.299CS..  trans-62.8141.1173.800000111.5R393 Y395 L422R393-A420 HydrophobicContact CB-CB 4.23Å; Y395-A420 HydrophobicContact CD1-CB 3.86Å; Y395-A420 HydrophobicContact CE1-CB 3.54Å; Y395-A420 HydrophobicContact CE2-CB 4.35Å; Y395-A420 HydrophobicContact CG-CB 4.4Å; A420-L422 HydrophobicContact CB-CD2 3.97Å; A420-L422 PolarHBondContact O-N 3.16Å
421I92.8Very high91.6Very high2 Ų251.2 Ų51.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-78.4111166.1-51.5-56.1000107.4V372 W374 R393 I394 L396 P415 N427 L429V372-I421 HydrophobicContact CB-CG2 4.45Å; V372-I421 HydrophobicContact CG1-CG2 3.92Å; W374-I421 HydrophobicContact CB-CG2 3.86Å; R393-I421 VanDerWaalsContact CA-O 3.25Å; R393-I421 WeakPolarHBondContact CA-O 3.36Å; I394-I421 HydrophobicContact CG2-CB 3.8Å; I394-I421 HydrophobicContact CG2-CG1 4.27Å; I394-I421 HydrophobicContact CG2-CG2 4.34Å; I394-I421 PolarHBondContact N-O 3.14Å; I394-I421 VanDerWaalsContact N-O 3.14Å; I394-I421 WeakPolarHBondContact O-CB 3.25Å; I394-I421 PolarHBondContact O-N 2.95Å; L396-I421 HydrophobicContact CB-CG1 4.43Å; L396-I421 HydrophobicContact CD1-CD1 4.46Å; L396-I421 HydrophobicContact CD1-CG1 3.84Å; L396-I421 HydrophobicContact CG-CG1 3.82Å; P415-I421 HydrophobicContact CB-CD1 4.29Å; I421-N427 WeakPolarHBondContact CA-OD1 3.33Å; I421-N427 HydrophobicContact CD1-CB 3.85Å; I421-N427 HydrophobicContact CG2-CB 4.01Å; I421-N427 WeakPolarHBondContact CG2-ND2 3.28Å; I421-L429 HydrophobicContact CD1-CD1 3.84Å
422L90.8Very high91.6Very high69 Ų6954.9 Ų54.936%0.36132%0.319SS..EExtended strand (participates in β ladder)trans-97.8137.6-175-58.8177.3000110.9R393 A420 G424 A425 N427R393-L422 HydrophobicContact CB-CD2 3.68Å; A420-L422 HydrophobicContact CB-CD2 3.97Å; A420-L422 PolarHBondContact O-N 3.16Å; L422-G424 PolarHBondContact O-N 3.34Å; L422-A425 HydrophobicContact CB-CB 3.88Å; L422-A425 PolarHBondContact O-N 3.43Å; L422-N427 PolarHBondContact N-OD1 3.16Å; L422-N427 PolarHBondContact O-ND2 3.25Å
423T87.6Confident91.6Very high52 Ų5254.2 Ų54.232%0.31932%0.315SS..THydrogen-bonded Turntrans-60.5132170.9-65.90000111.2W374 P392 A425W374-T423 VanDerWaalsContact CD1-OG1 3.3Å; W374-T423 VanDerWaalsContact O-CA 3.29Å; W374-T423 WeakPolarHBondContact O-CA 3.1Å; W374-T423 VanDerWaalsContact O-CB 3.26Å; W374-T423 WeakPolarHBondContact O-CB 3.31Å; W374-T423 WeakPolarHBondContact O-CG2 3.31Å; W374-T423 PolarHBondContact O-OG1 3.19Å; P392-T423 PolarHBondContact O-N 3Å; P392-T423 VanDerWaalsContact O-N 3.16Å; P392-T423 PolarHBondContact O-OG1 2.81Å; T423-A425 PolarHBondContact O-N 3.32Å
424G81.3Confident91.4Very high75 Ų7555.4 Ų55.477%0.77332%0.323SS*.THydrogen-bonded Turntrans75.72.7177.200000115.1L422L422-G424 PolarHBondContact O-N 3.34Å
425A85.9Confident90.8Very high42 Ų4261.9 Ų61.935%0.34735%0.35SS..SBendtrans-99.4156.117100000111.1L422 T423 N427L422-A425 HydrophobicContact CB-CB 3.88Å; L422-A425 PolarHBondContact O-N 3.43Å; T423-A425 PolarHBondContact O-N 3.32Å; A425-N427 PolarHBondContact O-N 2.72Å; A425-N427 PolarHBondContact O-ND2 2.96Å; A425-N427 VanDerWaalsContact O-ND2 3.09Å
426E87.1Confident89.2Confident158 Ų15872.9 Ų72.974%0.73841%0.408SS*.  trans-80104.5169.2-171.7-179-169.500108.8T371 V428T371-E426 HydrophobicContact CG2-CG 4.11Å; E426-V428 HydrophobicContact CG-CG2 4.05Å
427N94.2Very high89Confident15 Ų1571.5 Ų71.58%0.0841%0.406CS..EExtended strand (participates in β ladder)trans-101106.5179-46.8-83.4000109.5T371 V372 I421 L422 A425T371-N427 CarbonylContact C-O 3.44Å; T371-N427 WeakPolarHBondContact CA-O 3.44Å; V372-N427 HydrophobicContact CB-CB 4.46Å; V372-N427 PolarHBondContact N-O 2.91Å; V372-N427 WeakPolarHBondContact O-CB 3.3Å; V372-N427 PolarHBondContact O-ND2 3.11Å; I421-N427 WeakPolarHBondContact CA-OD1 3.33Å; I421-N427 HydrophobicContact CD1-CB 3.85Å; I421-N427 HydrophobicContact CG2-CB 4.01Å; I421-N427 WeakPolarHBondContact CG2-ND2 3.28Å; L422-N427 PolarHBondContact N-OD1 3.16Å; L422-N427 PolarHBondContact O-ND2 3.25Å; A425-N427 PolarHBondContact O-N 2.72Å; A425-N427 PolarHBondContact O-ND2 2.96Å; A425-N427 VanDerWaalsContact O-ND2 3.09Å
428V94.9Very high89Confident39 Ų3966.5 Ų66.524%0.23639%0.386CS..EExtended strand (participates in β ladder)trans-99.6126.9-177.8-179.90000110.4Y369 E426 R430Y369-V428 HydrophobicContact CD2-CG1 3.85Å; Y369-V428 HydrophobicContact CE2-CG1 4.46Å; E426-V428 HydrophobicContact CG-CG2 4.05Å; V428-R430 HydrophobicContact CG1-CG 4.25Å
429L96.4Very high89.3Confident1 Ų166.3 Ų66.31%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-113.8138.2175.6-74.664.1000110.2Y369 A370 V372 I399 L413 C414 P415 I421Y369-L429 WeakPolarHBondContact CB-O 3.32Å; A370-L429 PolarHBondContact N-O 3.4Å; A370-L429 VanDerWaalsContact N-O 3.1Å; A370-L429 PolarHBondContact O-N 2.85Å; V372-L429 HydrophobicContact CB-CD1 4.02Å; V372-L429 HydrophobicContact CG2-CD1 3.55Å; V372-L429 HydrophobicContact CG2-CD2 3.93Å; V372-L429 HydrophobicContact CG2-CG 4.24Å; I399-L429 HydrophobicContact CB-CD2 4.48Å; I399-L429 HydrophobicContact CD1-CD2 3.7Å; I399-L429 HydrophobicContact CG1-CD2 3.82Å; L413-L429 HydrophobicContact CB-CB 3.86Å; C414-L429 WeakPolarHBondContact O-CA 3.26Å; P415-L429 HydrophobicContact CB-CG 4.36Å; I421-L429 HydrophobicContact CD1-CD1 3.84Å
430R95.6Very high89.5Confident52 Ų5268.4 Ų68.420%0.19639%0.394CS..EExtended strand (participates in β ladder)trans-137.7153.8-177.7-66.8-175.7172.5-86.6-10.6110.8E368 C414 V428 S432 Y433E368-R430 IonicContact OE1-NH1 3.16Å; E368-R430 PolarHBondContact OE1-NH1 3.43Å; C414-R430 PolarHBondContact N-O 3.2Å; C414-R430 VanDerWaalsContact N-O 3.14Å; C414-R430 PolarHBondContact O-N 3.16Å; V428-R430 HydrophobicContact CG1-CG 4.25Å; R430-S432 VanDerWaalsContact C-N 3.26Å; R430-S432 PolarHBondContact O-N 3.07Å; R430-Y433 HydrophobicContact CB-CD1 4.19Å; R430-Y433 HydrophobicContact CB-CD2 3.82Å; R430-Y433 HydrophobicContact CB-CE1 4.33Å; R430-Y433 HydrophobicContact CB-CE2 3.99Å; R430-Y433 HydrophobicContact CB-CG 3.93Å; R430-Y433 HydrophobicContact CG-CD2 4.23Å; R430-Y433 HydrophobicContact CG-CE2 3.89Å; R430-Y433 WeakPolarHBondContact O-CB 3.4Å; R430-Y433 PolarHBondContact O-N 3.1Å
431S94.7Very high89.3Confident54 Ų5471.2 Ų71.238%0.37841%0.406SS..G310 helixtrans-63.2-35.5171.8-44.20000111.8K412 L413 Y433 C434K412-S431 VanDerWaalsContact O-CA 3.27Å; K412-S431 WeakPolarHBondContact O-CA 3.25Å; K412-S431 WeakPolarHBondContact O-CB 3.37Å; K412-S431 PolarHBondContact O-OG 3.33Å; L413-S431 WeakPolarHBondContact CD2-OG 3.48Å; S431-Y433 PolarHBondContact O-N 2.96Å; S431-Y433 VanDerWaalsContact O-N 3.16Å; S431-C434 VanDerWaalsContact O-CB 3.32Å; S431-C434 WeakPolarHBondContact O-CB 3.39Å; S431-C434 PolarHBondContact O-N 3.09Å
432S93.8Very high89.1Confident99 Ų9975.8 Ų75.869%0.69243%0.433SS*.G310 helixtrans-67.8-10.5176.859.40000114.6R430R430-S432 VanDerWaalsContact C-N 3.26Å; R430-S432 PolarHBondContact O-N 3.07Å
433Y95.4Very high89Confident68 Ų6876.3 Ų76.327%0.26744%0.438SS..G310 helixtrans-90.8-11.9174.3-60.6-14.7000112.3C414 Q416 R430 S431C414-Y433 WeakPolarHBondContact O-CB 3.45Å; C414-Y433 WeakPolarHBondContact O-CD2 3.29Å; Q416-Y433 HydrophobicContact CB-CD2 3.69Å; Q416-Y433 HydrophobicContact CB-CE2 3.65Å; Q416-Y433 HydrophobicContact CB-CG 4.2Å; Q416-Y433 HydrophobicContact CG-CD1 4.25Å; Q416-Y433 HydrophobicContact CG-CD2 4.18Å; Q416-Y433 HydrophobicContact CG-CE1 4.1Å; Q416-Y433 HydrophobicContact CG-CE2 4.01Å; Q416-Y433 HydrophobicContact CG-CG 4.29Å; R430-Y433 HydrophobicContact CB-CD1 4.19Å; R430-Y433 HydrophobicContact CB-CD2 3.82Å; R430-Y433 HydrophobicContact CB-CE1 4.33Å; R430-Y433 HydrophobicContact CB-CE2 3.99Å; R430-Y433 HydrophobicContact CB-CG 3.93Å; R430-Y433 HydrophobicContact CG-CD2 4.23Å; R430-Y433 HydrophobicContact CG-CE2 3.89Å; R430-Y433 WeakPolarHBondContact O-CB 3.4Å; R430-Y433 PolarHBondContact O-N 3.1Å; S431-Y433 PolarHBondContact O-N 2.96Å; S431-Y433 VanDerWaalsContact O-N 3.16Å
434C93.4Very high89.1Confident26 Ų2678.2 Ų78.218%0.17645%0.447CS..SBendtrans-72.2130.9174.6-61.90000109.5K412 C414 S431K412-C434 PolarHBondContact O-SG 2.86Å; C414-C434 HydrophobicContact CB-CB 3.93Å; C414-C434 WeakPolarHBondContact CB-SG 3.16Å; C414-C434 PolarHBondContact N-SG 3.14Å; C414-C434 WeakPolarHBondContact SG-CA 3.41Å; C414-C434 WeakPolarHBondContact SG-CB 3.39Å; C414-C434 CovalentContact SG-SG 2.04Å; C414-C434 PolarHBondContact SG-SG 3.29Å; S431-C434 VanDerWaalsContact O-CB 3.32Å; S431-C434 WeakPolarHBondContact O-CB 3.39Å; S431-C434 PolarHBondContact O-N 3.09Å
435K83.9Confident89.7Confident148 Ų14878.4 Ų78.464%0.64342%0.42SS*.  trans-72.5144.8168.1-64.4175.5-179.1169.60108.6E418E418-K435 WeakPolarHBondContact OE1-CE 3.42Å; E418-K435 IonicContact OE1-NZ 3.21Å; E418-K435 PolarHBondContact OE1-NZ 3.4Å; E418-K435 IonicContact OE2-NZ 3.44Å
436D61.5Low90.1Very high239 Ų23981.7 Ų81.7100%1.27843%0.426SS*.  trans-62.10175.3-68.9-38.1000112.4

Retrieved 436 of 436 residues in 168.2 ms (Link to these results)

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