A0A096N2Q5_PAPAN Loading...

Metastasis-associated protein MTA3

Acts as a component of the histone deacetylase NuRD complex which participates in the remodeling of chromatin. Plays a role in maintenance of the normal epithelial architecture through the repression of SNAI1 transcription in a histone deacetylase-dependent manner, and thus the regulation of E-cadherin levels. Contributes to transcriptional repression by BCL6.

AlphaFold DB , UniProt , Accession A0A096N2Q5, Species PAPAN (Papio anubis, Olive baboon), Gene MTA3, Length 594 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low82.9Confident244 Ų24473.6 Ų73.6100%1.20242%0.42SS*.  0133.30-74.8179.6-167.700108.7A3M1-A3 PolarHBondContact O-N 3.16Å; M1-A3 VanDerWaalsContact O-N 3.14Å
2A50.9Low84Confident68 Ų6867.5 Ų67.556%0.56239%0.385SS*.  trans-65.6112.3177.500000109.7N4 M5A2-N4 PolarHBondContact O-N 3.27Å; A2-M5 HydrophobicContact CB-CB 4.33Å; A2-M5 PolarHBondContact O-N 2.8Å; A2-M5 VanDerWaalsContact O-N 3.15Å
3A67.1Low84.9Confident88 Ų8862.6 Ų62.673%0.72736%0.357SS*.THydrogen-bonded Turntrans-57-12.1-172.900000115.1M1M1-A3 PolarHBondContact O-N 3.16Å; M1-A3 VanDerWaalsContact O-N 3.14Å
4N85.6Confident85.6Confident35 Ų3558.3 Ų58.319%0.18733%0.332CS..THydrogen-bonded Turntrans-116.111.8-172.9-74.9-14.6000113.8A2 Y6 Y338 I339 T341A2-N4 PolarHBondContact O-N 3.27Å; N4-Y6 WeakPolarHBondContact O-CD2 3.22Å; N4-Y6 WeakPolarHBondContact O-CE2 3.19Å; N4-Y338 HydrophobicContact CB-CD2 3.91Å; N4-Y338 HydrophobicContact CB-CE2 3.4Å; N4-Y338 WeakPolarHBondContact O-CA 3.46Å; N4-I339 VanDerWaalsContact CB-O 3.32Å; N4-I339 WeakPolarHBondContact CB-O 3.28Å; N4-I339 PolarHBondContact O-N 3.26Å; N4-T341 PolarHBondContact ND2-OG1 3.29Å; N4-T341 VanDerWaalsContact ND2-OG1 3.15Å
5M91.6Very high86.1Confident48 Ų4856.6 Ų56.624%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-101122.9177.7-171.966.768.400111A2 K108 Q336 Y338A2-M5 HydrophobicContact CB-CB 4.33Å; A2-M5 PolarHBondContact O-N 2.8Å; A2-M5 VanDerWaalsContact O-N 3.15Å; M5-K108 WeakPolarHBondContact O-CE 3.46Å; M5-K108 PolarHBondContact O-NZ 3.02Å; M5-Q336 HydrophobicContact SD-CB 4.09Å; M5-Q336 HydrophobicContact SD-CG 4.02Å; M5-Y338 HydrophobicContact CE-CD2 4.2Å
6Y94.4Very high86.1Confident6 Ų660.4 Ų60.42%0.02434%0.339CS..EExtended strand (participates in β ladder)trans-117.7139.1-177.4-58.5-89.3000110.7N4 V12 I105 G107 K108 Q336 V337 I339N4-Y6 WeakPolarHBondContact O-CD2 3.22Å; N4-Y6 WeakPolarHBondContact O-CE2 3.19Å; Y6-V12 HydrophobicContact CD1-CG1 3.63Å; Y6-V12 HydrophobicContact CE1-CG1 4.06Å; Y6-I105 HydrophobicContact CD1-CG2 3.61Å; Y6-I105 HydrophobicContact CD2-CG2 4.32Å; Y6-I105 HydrophobicContact CE1-CG2 3.25Å; Y6-I105 HydrophobicContact CE2-CG2 4.04Å; Y6-I105 HydrophobicContact CG-CG2 4.11Å; Y6-I105 VanDerWaalsContact CZ-CG2 3.48Å; Y6-G107 WeakPolarHBondContact OH-CA 3.48Å; Y6-G107 PolarHBondContact OH-N 3.32Å; Y6-K108 HydrophobicContact CD1-CD 4.4Å; Y6-K108 HydrophobicContact CD1-CG 3.78Å; Y6-K108 HydrophobicContact CE1-CG 3.6Å; Y6-Q336 CarbonylContact O-C 3.59Å; Y6-Q336 WeakPolarHBondContact O-CA 3.2Å; Y6-Q336 WeakPolarHBondContact O-CB 3.41Å; Y6-V337 PolarHBondContact N-O 3.27Å; Y6-V337 PolarHBondContact O-N 2.96Å; Y6-I339 HydrophobicContact CD2-CB 4.26Å; Y6-I339 HydrophobicContact CD2-CD1 3.6Å; Y6-I339 HydrophobicContact CD2-CG1 3.98Å; Y6-I339 HydrophobicContact CE2-CB 3.99Å; Y6-I339 HydrophobicContact CE2-CD1 3.84Å; Y6-I339 HydrophobicContact CE2-CG1 4.19Å; Y6-I339 HydrophobicContact CG-CD1 4.36Å
7R94.9Very high86.1Confident133 Ų13359.5 Ų59.550%0.50234%0.338SS..EExtended strand (participates in β ladder)trans-121.7155-174.5-60.7-179.8-179.3-102.2-2.4110.9G9 D10 K335 Q336R7-G9 PolarHBondContact O-N 3.39Å; R7-D10 PolarHBondContact N-OD2 3Å; R7-D10 VanDerWaalsContact O-CB 3.29Å; R7-D10 WeakPolarHBondContact O-CB 3.22Å; R7-D10 PolarHBondContact O-N 3.15Å; R7-D10 VanDerWaalsContact O-N 3.08Å; R7-K335 WeakPolarHBondContact CA-O 3.46Å; R7-Q336 HydrophobicContact CG-CB 3.96Å
8V94.4Very high85.9Confident63 Ų6358.4 Ų58.438%0.38233%0.334SS..THydrogen-bonded Turntrans-56.8133.2166176.10000109I27 E28 L30 K335V8-I27 HydrophobicContact CG2-CG2 4.3Å; V8-E28 WeakPolarHBondContact CG1-O 3.46Å; V8-L30 HydrophobicContact CG2-CD1 4.21Å; V8-L30 HydrophobicContact CG2-CG 4.14Å; V8-K335 PolarHBondContact N-O 3.43Å
9G94.5Very high85.8Confident40 Ų4058.1 Ų58.141%0.41234%0.336SS..THydrogen-bonded Turntrans96.4-19.2-172.600000114.6R7 I27R7-G9 PolarHBondContact O-N 3.39Å; G9-I27 WeakPolarHBondContact CA-O 3Å; G9-I27 PolarHBondContact N-O 3.26Å
10D96.2Very high86Confident37 Ų3759.6 Ų59.620%0.19834%0.343CS..  trans-67.6141.5179.7-72.6-19.2000111.5R7 V12 I27 K108R7-D10 PolarHBondContact N-OD2 3Å; R7-D10 VanDerWaalsContact O-CB 3.29Å; R7-D10 WeakPolarHBondContact O-CB 3.22Å; R7-D10 PolarHBondContact O-N 3.15Å; R7-D10 VanDerWaalsContact O-N 3.08Å; D10-V12 HydrophobicContact CB-CG1 4.21Å; D10-I27 HydrophobicContact CB-CD1 4.43Å; D10-I27 PolarHBondContact O-N 3.38Å; D10-K108 IonicContact OD1-NZ 3.08Å; D10-K108 WeakPolarHBondContact OD2-CE 3.43Å; D10-K108 IonicContact OD2-NZ 3.58Å; D10-K108 PolarHBondContact OD2-NZ 2.89Å
11Y97.2Very high86.3Confident48 Ų4856.9 Ų56.919%0.18833%0.328CS..EExtended strand (participates in β ladder)trans-88.3134.4165.1-57.1-92.4000109.7R25 R26 F45 K108 C109 V111Y11-R25 CarbonylContact C-O 3.19Å; Y11-R25 WeakPolarHBondContact CA-O 3.33Å; Y11-R26 HydrophobicContact CD1-CB 3.78Å; Y11-R26 HydrophobicContact CD1-CG 4.04Å; Y11-R26 HydrophobicContact CE1-CB 3.84Å; Y11-R26 HydrophobicContact CE1-CG 3.89Å; Y11-F45 AromaticContact CD1-CE2 3.97Å; Y11-F45 HydrophobicContact CD1-CE2 3.97Å; Y11-F45 HydrophobicContact CD1-CZ 4.26Å; Y11-F45 AromaticContact CE1-CE2 3.82Å; Y11-F45 HydrophobicContact CE1-CE2 3.82Å; Y11-F45 AromaticContact CE1-CZ 3.72Å; Y11-F45 HydrophobicContact CE1-CZ 3.72Å; Y11-K108 WeakPolarHBondContact O-CA 3.25Å; Y11-C109 VanDerWaalsContact C-SG 3.57Å; Y11-C109 WeakPolarHBondContact CB-O 3.44Å; Y11-C109 PolarHBondContact O-N 3.18Å; Y11-V111 HydrophobicContact CD1-CB 3.57Å; Y11-V111 HydrophobicContact CD1-CG2 3.48Å; Y11-V111 VanDerWaalsContact CD1-CG2 3.48Å; Y11-V111 HydrophobicContact CD2-CB 4.44Å; Y11-V111 HydrophobicContact CE1-CB 3.66Å; Y11-V111 HydrophobicContact CE1-CG1 4.45Å; Y11-V111 HydrophobicContact CE1-CG2 4.1Å; Y11-V111 WeakPolarHBondContact CE2-O 3.42Å; Y11-V111 HydrophobicContact CG-CB 3.97Å; Y11-V111 HydrophobicContact CG-CG2 3.78Å; Y11-V111 PolarHBondContact OH-O 2.89Å
12V96.6Very high88.7Confident0 Ų047 Ų470%028%0.277CS..EExtended strand (participates in β ladder)trans-140.7150-167.6-69.80000112.9Y6 D10 F14 R25 I27 I105 G107 K108Y6-V12 HydrophobicContact CD1-CG1 3.63Å; Y6-V12 HydrophobicContact CE1-CG1 4.06Å; D10-V12 HydrophobicContact CB-CG1 4.21Å; V12-F14 HydrophobicContact CG2-CD2 3.74Å; V12-F14 HydrophobicContact CG2-CE2 3.59Å; V12-R25 HydrophobicContact CG2-CB 4.42Å; V12-R25 PolarHBondContact N-O 2.64Å; V12-R25 PolarHBondContact O-N 2.72Å; V12-I27 HydrophobicContact CG1-CD1 3.92Å; V12-I27 HydrophobicContact CG1-CG1 4.37Å; V12-I27 HydrophobicContact CG2-CD1 4.16Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; V12-I105 HydrophobicContact CB-CG2 3.91Å; V12-I105 HydrophobicContact CG1-CG2 3.97Å; V12-I105 HydrophobicContact CG2-CG1 4.31Å; V12-G107 WeakPolarHBondContact CA-O 3.49Å; V12-K108 HydrophobicContact CG1-CG 4.48Å
13Y96.1Very high90.9Very high4 Ų445.7 Ų45.72%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-84.7116.8168.9-67.4-50.6000110.4Y22 I24 I105 R106 G107 C109 D128 F130 K412Y13-Y22 HydrophobicContact CD1-CD2 4.32Å; Y13-Y22 HydrophobicContact CD2-CD2 4.41Å; Y13-Y22 AromaticContact CG-CD2 3.98Å; Y13-Y22 HydrophobicContact CG-CD2 3.98Å; Y13-Y22 HydrophobicContact CG-CG 4.34Å; Y13-I24 HydrophobicContact CD1-CG1 4.25Å; Y13-I24 HydrophobicContact CE1-CG1 4.18Å; Y13-I105 WeakPolarHBondContact O-CA 3.26Å; Y13-R106 PolarHBondContact O-N 2.89Å; Y13-G107 PolarHBondContact N-O 3.27Å; Y13-C109 HydrophobicContact CD2-CB 4.49Å; Y13-C109 HydrophobicContact CE1-CB 3.99Å; Y13-C109 HydrophobicContact CE2-CB 3.96Å; Y13-D128 HydrophobicContact CE2-CB 4.36Å; Y13-D128 VanDerWaalsContact CE2-OD1 3.27Å; Y13-D128 WeakPolarHBondContact CE2-OD1 3.38Å; Y13-D128 PolarHBondContact OH-OD1 2.85Å; Y13-F130 AromaticContact CE1-CE2 3.71Å; Y13-F130 HydrophobicContact CE1-CE2 3.71Å; Y13-F130 AromaticContact CE1-CZ 3.83Å; Y13-F130 HydrophobicContact CE1-CZ 3.83Å; Y13-F130 AromaticContact CZ-CE2 3.84Å; Y13-F130 VanDerWaalsContact OH-CE2 3.25Å; Y13-F130 WeakPolarHBondContact OH-CE2 3.46Å; Y13-F130 WeakPolarHBondContact OH-CZ 3.49Å; Y13-K412 HydrophobicContact CE1-CB 4.38Å; Y13-K412 HydrophobicContact CE2-CD 4.27Å; Y13-K412 HydrophobicContact CE2-CG 3.93Å
14F94.8Very high92.3Very high2 Ų241.6 Ų41.61%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-98.3134.8173.7-99.6-99.2000111.4V12 Y22 L23 R25 A40 V42 L100 H104 I105V12-F14 HydrophobicContact CG2-CD2 3.74Å; V12-F14 HydrophobicContact CG2-CE2 3.59Å; F14-Y22 CarbonylContact O-C 3.58Å; F14-Y22 VanDerWaalsContact O-CA 3.25Å; F14-Y22 WeakPolarHBondContact O-CA 3.28Å; F14-L23 HydrophobicContact CB-CB 4.18Å; F14-L23 PolarHBondContact N-O 3.09Å; F14-L23 PolarHBondContact O-N 3.04Å; F14-R25 HydrophobicContact CB-CG 4.16Å; F14-R25 HydrophobicContact CD2-CB 3.88Å; F14-R25 HydrophobicContact CD2-CG 3.73Å; F14-R25 HydrophobicContact CE2-CB 4.27Å; F14-R25 HydrophobicContact CE2-CG 4.41Å; F14-R25 HydrophobicContact CG-CG 4.09Å; F14-A40 HydrophobicContact CZ-CB 4.14Å; F14-V42 HydrophobicContact CE2-CG1 3.86Å; F14-V42 HydrophobicContact CZ-CG1 4.05Å; F14-L100 HydrophobicContact CD1-CB 4.27Å; F14-L100 HydrophobicContact CD1-CD1 3.86Å; F14-L100 HydrophobicContact CE1-CB 3.65Å; F14-L100 HydrophobicContact CE1-CD1 4.03Å; F14-L100 HydrophobicContact CZ-CB 4.45Å; F14-H104 HydrophobicContact CD1-CB 3.49Å; F14-H104 VanDerWaalsContact CD1-CB 3.49Å; F14-H104 HydrophobicContact CE1-CB 3.71Å; F14-I105 HydrophobicContact CD2-CG1 3.97Å; F14-I105 HydrophobicContact CE1-CG1 4.12Å; F14-I105 HydrophobicContact CE2-CD1 3.96Å; F14-I105 HydrophobicContact CE2-CG1 3.35Å; F14-I105 HydrophobicContact CZ-CD1 3.94Å; F14-I105 HydrophobicContact CZ-CG1 3.43Å; F14-I105 VanDerWaalsContact CZ-CG1 3.43Å
15E91.8Very high92.8Very high33 Ų3340.7 Ų40.715%0.15422%0.22CC..  trans-103113.7171.5-173.1169.5-112.900111.3Y22 H104 R106 K411E15-Y22 HydrophobicContact CB-CD1 3.98Å; E15-Y22 HydrophobicContact CB-CE1 4.01Å; E15-Y22 HydrophobicContact CG-CD1 4.39Å; E15-Y22 HydrophobicContact CG-CE1 4.22Å; E15-H104 PolarHBondContact N-O 3.02Å; E15-R106 HydrophobicContact CB-CG 3.68Å; E15-R106 IonicContact OE2-CZ 2.68Å; E15-R106 IonicContact OE2-NE 2.8Å; E15-R106 PolarHBondContact OE2-NE 3.3Å; E15-R106 IonicContact OE2-NH2 3.21Å; E15-R106 PolarHBondContact OE2-NH2 3.46Å; E15-K411 IonicContact OE1-NZ 2.69Å; E15-K411 PolarHBondContact OE1-NZ 3.41Å
16N86.5Confident93.1Very high118 Ų11842 Ų4263%0.63122%0.223SC*.SBendtrans-90.1-33.4170.5-17133.8000112L23N16-L23 HydrophobicContact CB-CD1 4.15Å
17S85.8Confident93.2Very high45 Ų4541.8 Ų41.832%0.31522%0.222SC..  trans-149.8144.3176.8171.20000109.8S19 N20 K411S17-S19 PolarHBondContact O-N 2.81Å; S17-S19 PolarHBondContact OG-N 3.43Å; S17-N20 PolarHBondContact O-N 2.82Å; S17-K411 PolarHBondContact O-NZ 3.38Å
18S82.3Confident93.2Very high39 Ų3938.1 Ų38.127%0.27321%0.21SC..THydrogen-bonded Turntrans-60.8-31177.150.70000112.3P347 K411S18-P347 WeakPolarHBondContact OG-CG 3.49Å; S18-K411 PolarHBondContact O-NZ 3.17Å
19S85.1Confident93.2Very high53 Ų5337.3 Ų37.337%0.37120%0.202SC..THydrogen-bonded Turntrans-89.55-179.4-550000114.6S17 N348 W410S17-S19 PolarHBondContact O-N 2.81Å; S17-S19 PolarHBondContact OG-N 3.43Å; S19-N348 PolarHBondContact OG-ND2 3.1Å; S19-N348 VanDerWaalsContact OG-ND2 3.07Å; S19-W410 WeakPolarHBondContact O-CH2 3.35Å
20N90.1Very high93.2Very high87 Ų8735.4 Ų35.447%0.46518%0.183SC..SBendtrans-117.3151.9173.5-74-28.8000110.7S17 K411S17-N20 PolarHBondContact O-N 2.82Å; N20-K411 WeakPolarHBondContact O-CE 3.39Å; N20-K411 PolarHBondContact O-NZ 3.03Å
21P92.6Very high93.1Very high4 Ų436.1 Ų36.13%0.02619%0.187CC..PPolyproline II helixtrans-60.7153.8169.1-31.543.9000111.9R49 W410 K411P21-R49 VanDerWaalsContact CG-NH1 3.25Å; P21-W410 WeakPolarHBondContact CB-O 3.35Å; P21-W410 VanDerWaalsContact CD-CZ2 3.46Å; P21-W410 HydrophobicContact CG-CD2 3.85Å; P21-W410 VanDerWaalsContact CG-CE2 3.44Å; P21-W410 HydrophobicContact CG-CE3 4.21Å; P21-W410 HydrophobicContact CG-CG 4.5Å; P21-W410 HydrophobicContact CG-CH2 3.93Å; P21-W410 HydrophobicContact CG-CZ2 3.51Å; P21-W410 HydrophobicContact CG-CZ3 4.25Å; P21-W410 WeakPolarHBondContact CG-O 3.21Å; P21-K411 CarbonylContact C-O 3.54Å; P21-K411 WeakPolarHBondContact CA-O 3.36Å; P21-K411 WeakPolarHBondContact CB-O 3.27Å
22Y95.1Very high92.8Very high37 Ų3740.5 Ų40.515%0.14521%0.207CC..PPolyproline II helixtrans-59.2144.7177.7-59.5-43.8000110.8Y13 F14 E15 R47 R106 K411 K412Y13-Y22 HydrophobicContact CD1-CD2 4.32Å; Y13-Y22 HydrophobicContact CD2-CD2 4.41Å; Y13-Y22 AromaticContact CG-CD2 3.98Å; Y13-Y22 HydrophobicContact CG-CD2 3.98Å; Y13-Y22 HydrophobicContact CG-CG 4.34Å; F14-Y22 CarbonylContact O-C 3.58Å; F14-Y22 VanDerWaalsContact O-CA 3.25Å; F14-Y22 WeakPolarHBondContact O-CA 3.28Å; E15-Y22 HydrophobicContact CB-CD1 3.98Å; E15-Y22 HydrophobicContact CB-CE1 4.01Å; E15-Y22 HydrophobicContact CG-CD1 4.39Å; E15-Y22 HydrophobicContact CG-CE1 4.22Å; Y22-R47 PolarHBondContact O-NH1 3.21Å; Y22-R47 PolarHBondContact O-NH2 3.12Å; Y22-R106 HydrophobicContact CD1-CG 4.33Å; Y22-R106 HydrophobicContact CE1-CB 4.03Å; Y22-R106 HydrophobicContact CE1-CG 3.77Å; Y22-K411 HydrophobicContact CD2-CB 4.11Å; Y22-K411 WeakPolarHBondContact CD2-O 3.17Å; Y22-K411 HydrophobicContact CE2-CB 3.82Å; Y22-K411 VanDerWaalsContact CZ-CE 3.47Å; Y22-K411 PolarHBondContact N-O 3.01Å; Y22-K412 HydrophobicContact CD2-CG 4.35Å
23L95.6Very high92.4Very high40 Ų4042.4 Ų42.421%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-87.2141.2169.6-58.2176.4000108.1F14 N16F14-L23 HydrophobicContact CB-CB 4.18Å; F14-L23 PolarHBondContact N-O 3.09Å; F14-L23 PolarHBondContact O-N 3.04Å; N16-L23 HydrophobicContact CB-CD1 4.15Å
24I96.7Very high92Very high2 Ų248 Ų481%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-93.8130.6175.2-59.685.8000107.9Y13 F45 R47 L91 V111 F130Y13-I24 HydrophobicContact CD1-CG1 4.25Å; Y13-I24 HydrophobicContact CE1-CG1 4.18Å; I24-F45 HydrophobicContact CB-CB 4.04Å; I24-F45 HydrophobicContact CG2-CB 4.14Å; I24-F45 HydrophobicContact CG2-CD2 4.26Å; I24-F45 HydrophobicContact CG2-CG 4.31Å; I24-F45 WeakPolarHBondContact O-CB 3.5Å; I24-F45 PolarHBondContact O-N 3.48Å; I24-F45 VanDerWaalsContact O-N 3.11Å; I24-R47 HydrophobicContact CD1-CG 4.49Å; I24-L91 HydrophobicContact CB-CD1 3.9Å; I24-L91 HydrophobicContact CD1-CD1 4.34Å; I24-L91 HydrophobicContact CD1-CD2 3.86Å; I24-L91 HydrophobicContact CG1-CD1 4Å; I24-L91 HydrophobicContact CG1-CD2 4.42Å; I24-L91 HydrophobicContact CG2-CD1 3.71Å; I24-V111 HydrophobicContact CG2-CG2 3.76Å; I24-F130 HydrophobicContact CD1-CE1 4.44Å; I24-F130 HydrophobicContact CD1-CZ 4.48Å; I24-F130 HydrophobicContact CG1-CE2 4.35Å; I24-F130 HydrophobicContact CG1-CZ 4.33Å
25R97.1Very high91.7Very high15 Ų1552.2 Ų52.26%0.05730%0.295CS..EExtended strand (participates in β ladder)trans-142.1154.9-177.9-55.7-71-169.9170.46.5110.3Y11 V12 F14 V42 V43 C44 E98Y11-R25 CarbonylContact C-O 3.19Å; Y11-R25 WeakPolarHBondContact CA-O 3.33Å; V12-R25 HydrophobicContact CG2-CB 4.42Å; V12-R25 PolarHBondContact N-O 2.64Å; V12-R25 PolarHBondContact O-N 2.72Å; F14-R25 HydrophobicContact CB-CG 4.16Å; F14-R25 HydrophobicContact CD2-CB 3.88Å; F14-R25 HydrophobicContact CD2-CG 3.73Å; F14-R25 HydrophobicContact CE2-CB 4.27Å; F14-R25 HydrophobicContact CE2-CG 4.41Å; F14-R25 HydrophobicContact CG-CG 4.09Å; R25-V42 HydrophobicContact CB-CB 3.91Å; R25-V42 HydrophobicContact CB-CG1 4.29Å; R25-V42 HydrophobicContact CB-CG2 4.09Å; R25-V42 HydrophobicContact CG-CB 4.44Å; R25-V42 HydrophobicContact CG-CG2 4.06Å; R25-V43 CarbonylContact C-O 3.54Å; R25-V43 WeakPolarHBondContact CA-O 3.45Å; R25-C44 PolarHBondContact NH1-SG 2.74Å; R25-E98 IonicContact CZ-OE1 2.77Å; R25-E98 IonicContact CZ-OE2 2.62Å; R25-E98 VanDerWaalsContact CZ-OE2 3.29Å; R25-E98 IonicContact NH1-OE1 3.13Å; R25-E98 PolarHBondContact NH1-OE1 3.48Å; R25-E98 IonicContact NH1-OE2 2.86Å; R25-E98 PolarHBondContact NH1-OE2 3.36Å; R25-E98 VanDerWaalsContact NH2-CD 3.27Å; R25-E98 IonicContact NH2-OE1 2.65Å; R25-E98 PolarHBondContact NH2-OE1 2.62Å; R25-E98 IonicContact NH2-OE2 2.76Å; R25-E98 PolarHBondContact NH2-OE2 2.88Å
26R97Very high91.5Very high77 Ų7752.3 Ų52.329%0.29131%0.305SS..EExtended strand (participates in β ladder)trans-108.8131.9168.3-173.4176.276.6-177.16.9110.1Y11 E28 V42 V43 F45Y11-R26 HydrophobicContact CD1-CB 3.78Å; Y11-R26 HydrophobicContact CD1-CG 4.04Å; Y11-R26 HydrophobicContact CE1-CB 3.84Å; Y11-R26 HydrophobicContact CE1-CG 3.89Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NE-OE1 3.97Å; R26-E28 PolarHBondContact NE-OE1 2.95Å; R26-E28 IonicContact NH2-OE1 2.77Å; R26-E28 PolarHBondContact NH2-OE1 2.98Å; R26-E28 IonicContact NH2-OE2 2.64Å; R26-E28 PolarHBondContact O-N 2.85Å; R26-V42 CarbonylContact O-C 3.57Å; R26-V42 WeakPolarHBondContact O-CA 3.48Å; R26-V42 WeakPolarHBondContact O-CB 3.44Å; R26-V43 HydrophobicContact CB-CB 4.34Å; R26-V43 PolarHBondContact N-O 3.4Å; R26-V43 PolarHBondContact O-N 3.5Å; R26-F45 HydrophobicContact CB-CE2 4.08Å
27I96.8Very high91.7Very high0 Ų051.9 Ų51.90%030%0.302CS..EExtended strand (participates in β ladder)trans-75.5118177.8-56.3176.3000109.3V8 G9 D10 V12 L30 V42 I105V8-I27 HydrophobicContact CG2-CG2 4.3Å; G9-I27 WeakPolarHBondContact CA-O 3Å; G9-I27 PolarHBondContact N-O 3.26Å; D10-I27 HydrophobicContact CB-CD1 4.43Å; D10-I27 PolarHBondContact O-N 3.38Å; V12-I27 HydrophobicContact CG1-CD1 3.92Å; V12-I27 HydrophobicContact CG1-CG1 4.37Å; V12-I27 HydrophobicContact CG2-CD1 4.16Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; I27-L30 HydrophobicContact CG2-CD1 4.45Å; I27-L30 HydrophobicContact CG2-CD2 3.84Å; I27-L30 HydrophobicContact CG2-CG 3.81Å; I27-V42 HydrophobicContact CG1-CG1 4.35Å; I27-I105 HydrophobicContact CD1-CD1 3.96Å
28E95.5Very high92.1Very high57 Ų5751.2 Ų51.227%0.26630%0.296SS..EExtended strand (participates in β ladder)trans-99-35.8177.6-67.9-71151.600111.8V8 R26 K41 V43 Y97V8-E28 WeakPolarHBondContact CG1-O 3.46Å; R26-E28 IonicContact CZ-OE1 2.71Å; R26-E28 IonicContact NE-OE1 3.97Å; R26-E28 PolarHBondContact NE-OE1 2.95Å; R26-E28 IonicContact NH2-OE1 2.77Å; R26-E28 PolarHBondContact NH2-OE1 2.98Å; R26-E28 IonicContact NH2-OE2 2.64Å; R26-E28 PolarHBondContact O-N 2.85Å; E28-K41 WeakPolarHBondContact CB-O 3.46Å; E28-K41 PolarHBondContact N-O 3.07Å; E28-V43 HydrophobicContact CG-CB 4.23Å; E28-V43 HydrophobicContact CG-CG2 3.55Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.49Å; E28-Y97 HydrophobicContact CB-CE1 4.27Å; E28-Y97 HydrophobicContact CG-CD1 4.12Å; E28-Y97 HydrophobicContact CG-CE1 3.72Å
29E94.5Very high92.7Very high45 Ų4553.2 Ų53.221%0.2130%0.301CS..EExtended strand (participates in β ladder)trans-154.1144.1-179.4-168.1176.6-156.200109.5K41 K333E29-K41 HydrophobicContact CB-CB 4.04Å; E29-K41 HydrophobicContact CB-CD 4.45Å; E29-K41 PolarHBondContact N-O 3.02Å; E29-K41 PolarHBondContact O-N 3.04Å; E29-K333 WeakPolarHBondContact OE1-CD 3.44Å; E29-K333 IonicContact OE1-NZ 3.49Å; E29-K333 PolarHBondContact OE1-NZ 3.36Å
30L94.8Very high93.2Very high0 Ų050.7 Ų50.70%028%0.284CS..EExtended strand (participates in β ladder)trans-114.7120.8171.4-66.2167.6000108.5V8 I27 V38 A40 L334 V337V8-L30 HydrophobicContact CG2-CD1 4.21Å; V8-L30 HydrophobicContact CG2-CG 4.14Å; I27-L30 HydrophobicContact CG2-CD1 4.45Å; I27-L30 HydrophobicContact CG2-CD2 3.84Å; I27-L30 HydrophobicContact CG2-CG 3.81Å; L30-V38 HydrophobicContact CB-CG1 4.43Å; L30-V38 HydrophobicContact CD2-CG1 4.36Å; L30-A40 HydrophobicContact CD2-CB 3.72Å; L30-L334 HydrophobicContact CB-CB 3.91Å; L30-L334 WeakPolarHBondContact CB-O 3.47Å; L30-L334 WeakPolarHBondContact O-CB 3.22Å; L30-V337 HydrophobicContact CD1-CB 4.21Å; L30-V337 HydrophobicContact CD1-CG1 3.9Å; L30-V337 HydrophobicContact CD2-CG1 4.01Å
31N92.4Very high93.5Very high53 Ų5350 Ų5028%0.28328%0.277SS..EExtended strand (participates in β ladder)trans-115127.8-175.9-68.7-55.2000109.8V38 E39N31-V38 WeakPolarHBondContact O-CA 3.25Å; N31-E39 PolarHBondContact N-O 3.13Å; N31-E39 PolarHBondContact O-N 3.28Å
32K91.1Very high93.7Very high140 Ų14049.9 Ų49.961%0.60928%0.276SS*.EExtended strand (participates in β ladder)trans-93.4120.9172.5-169.8176.4179.4-177.60109N37 L334K32-N37 CarbonylContact C-O 3.58Å; K32-N37 WeakPolarHBondContact CA-O 3.49Å; K32-L334 HydrophobicContact CB-CD1 4.15Å; K32-L334 HydrophobicContact CD-CD1 4.31Å
33T88.5Confident93.8Very high40 Ų4048.3 Ų48.325%0.24527%0.27CS..  trans-71.5161.317665.40000110.4S35 G36 N37 E39T33-S35 PolarHBondContact O-N 2.69Å; T33-S35 VanDerWaalsContact O-N 3.15Å; T33-S35 PolarHBondContact OG1-OG 3.13Å; T33-G36 WeakPolarHBondContact O-CA 3.41Å; T33-G36 PolarHBondContact O-N 3.4Å; T33-N37 PolarHBondContact N-O 2.83Å; T33-N37 WeakPolarHBondContact OG1-CB 3.44Å; T33-N37 PolarHBondContact OG1-N 3.01Å; T33-N37 PolarHBondContact OG1-O 3.35Å; T33-E39 HydrophobicContact CG2-CG 4.17Å
34A88Confident93.8Very high120 Ų12046.4 Ų46.499%0.99226%0.26SS*.THydrogen-bonded Turntrans-57.9-27.8174.900000113G36A34-G36 PolarHBondContact O-N 3.21Å
35S89.1Confident93.8Very high92 Ų9246.7 Ų46.764%0.64326%0.261SS*.THydrogen-bonded Turntrans-75.3-4.4173.957.80000114.3T33 N37T33-S35 PolarHBondContact O-N 2.69Å; T33-S35 VanDerWaalsContact O-N 3.15Å; T33-S35 PolarHBondContact OG1-OG 3.13Å; S35-N37 PolarHBondContact OG-ND2 3.18Å
36G86.9Confident93.7Very high35 Ų3547.9 Ų47.936%0.36127%0.266SS..SBendtrans88.4-3.5-179.700000115.2T33 A34T33-G36 WeakPolarHBondContact O-CA 3.41Å; T33-G36 PolarHBondContact O-N 3.4Å; A34-G36 PolarHBondContact O-N 3.21Å
37N91Very high93.5Very high108 Ų10844.7 Ų44.758%0.57825%0.254SS*.  trans-71.1151.3174.6-63.7-32.6000110.5K32 T33 S35K32-N37 CarbonylContact C-O 3.58Å; K32-N37 WeakPolarHBondContact CA-O 3.49Å; T33-N37 PolarHBondContact N-O 2.83Å; T33-N37 WeakPolarHBondContact OG1-CB 3.44Å; T33-N37 PolarHBondContact OG1-N 3.01Å; T33-N37 PolarHBondContact OG1-O 3.35Å; S35-N37 PolarHBondContact OG-ND2 3.18Å
38V94.1Very high93.3Very high31 Ų3146.4 Ų46.419%0.18826%0.26CS..EExtended strand (participates in β ladder)trans-108.9125.5176.8-174.60000109.5L30 N31 A102 L334 V337L30-V38 HydrophobicContact CB-CG1 4.43Å; L30-V38 HydrophobicContact CD2-CG1 4.36Å; N31-V38 WeakPolarHBondContact O-CA 3.25Å; V38-A102 HydrophobicContact CB-CB 4.08Å; V38-A102 HydrophobicContact CG1-CB 3.97Å; V38-A102 VanDerWaalsContact O-CB 3.3Å; V38-A102 WeakPolarHBondContact O-CB 3.19Å; V38-A102 PolarHBondContact O-N 2.8Å; V38-L334 HydrophobicContact CG1-CD2 4.06Å; V38-L334 HydrophobicContact CG2-CD2 4.13Å; V38-V337 HydrophobicContact CB-CG2 4.17Å; V38-V337 HydrophobicContact CG1-CB 4.32Å; V38-V337 HydrophobicContact CG1-CG2 4.03Å; V38-V337 HydrophobicContact CG2-CG2 4.1Å
39E94.9Very high93Very high81 Ų8149.1 Ų49.138%0.37927%0.268SS..EExtended strand (participates in β ladder)trans-107.9139.8171.7-65-174.4168.200109.5N31 T33 L100N31-E39 PolarHBondContact N-O 3.13Å; N31-E39 PolarHBondContact O-N 3.28Å; T33-E39 HydrophobicContact CG2-CG 4.17Å; E39-L100 WeakPolarHBondContact CA-O 3.37Å
40A95.8Very high92.9Very high0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-104.912217400000108.9F14 L30 V42 S99 L100F14-A40 HydrophobicContact CZ-CB 4.14Å; L30-A40 HydrophobicContact CD2-CB 3.72Å; A40-V42 HydrophobicContact CB-CG1 3.9Å; A40-S99 WeakPolarHBondContact O-CA 3.2Å; A40-L100 PolarHBondContact N-O 3.09Å; A40-L100 PolarHBondContact O-N 3.39Å
41K96.3Very high92.7Very high74 Ų7450.4 Ų50.432%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-83.1122.7164.9-174.5-178.6178.2-177.20107.5E28 E29 Y97 E98E28-K41 WeakPolarHBondContact CB-O 3.46Å; E28-K41 PolarHBondContact N-O 3.07Å; E29-K41 HydrophobicContact CB-CB 4.04Å; E29-K41 HydrophobicContact CB-CD 4.45Å; E29-K41 PolarHBondContact N-O 3.02Å; E29-K41 PolarHBondContact O-N 3.04Å; K41-Y97 HydrophobicContact CG-CD1 4.29Å; K41-E98 CarbonylContact C-O 3.48Å; K41-E98 WeakPolarHBondContact CA-O 3.42Å
42V96.7Very high92.7Very high0 Ų050.6 Ų50.60%028%0.282CS..EExtended strand (participates in β ladder)trans-132.7143.1-167.9-66.10000112.9F14 R25 R26 I27 A40 Y97 E98F14-V42 HydrophobicContact CE2-CG1 3.86Å; F14-V42 HydrophobicContact CZ-CG1 4.05Å; R25-V42 HydrophobicContact CB-CB 3.91Å; R25-V42 HydrophobicContact CB-CG1 4.29Å; R25-V42 HydrophobicContact CB-CG2 4.09Å; R25-V42 HydrophobicContact CG-CB 4.44Å; R25-V42 HydrophobicContact CG-CG2 4.06Å; R26-V42 CarbonylContact O-C 3.57Å; R26-V42 WeakPolarHBondContact O-CA 3.48Å; R26-V42 WeakPolarHBondContact O-CB 3.44Å; I27-V42 HydrophobicContact CG1-CG1 4.35Å; A40-V42 HydrophobicContact CB-CG1 3.9Å; V42-Y97 WeakPolarHBondContact O-CA 3.42Å; V42-E98 HydrophobicContact CG2-CB 4.36Å; V42-E98 WeakPolarHBondContact CG2-O 3.39Å; V42-E98 PolarHBondContact N-O 3.36Å; V42-E98 PolarHBondContact O-N 2.86Å
43V96.5Very high92.7Very high4 Ų450 Ų502%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-81.9143.6167.8161.90000109.8R25 R26 E28 F45 L93 S94 Y97R25-V43 CarbonylContact C-O 3.54Å; R25-V43 WeakPolarHBondContact CA-O 3.45Å; R26-V43 HydrophobicContact CB-CB 4.34Å; R26-V43 PolarHBondContact N-O 3.4Å; R26-V43 PolarHBondContact O-N 3.5Å; E28-V43 HydrophobicContact CG-CB 4.23Å; E28-V43 HydrophobicContact CG-CG2 3.55Å; E28-V43 WeakPolarHBondContact OE1-CG2 3.49Å; V43-F45 HydrophobicContact CG1-CE2 4.27Å; V43-L93 HydrophobicContact CG1-CD1 3.56Å; V43-S94 WeakPolarHBondContact CG1-O 3.3Å; V43-Y97 HydrophobicContact CG2-CD1 3.79Å; V43-Y97 HydrophobicContact CG2-CE1 3.45Å; V43-Y97 VanDerWaalsContact CG2-CE1 3.45Å
44C95.7Very high92.9Very high0 Ų053.4 Ų53.40%031%0.306CS..EExtended strand (participates in β ladder)trans-98.8132.5-168.2-48.70000111.6R25 Y46 S94 Q96R25-C44 PolarHBondContact NH1-SG 2.74Å; C44-Y46 HydrophobicContact CB-CD2 4.43Å; C44-Y46 HydrophobicContact CB-CE2 3.75Å; C44-S94 WeakPolarHBondContact O-CB 3.4Å; C44-S94 PolarHBondContact O-N 3.29Å; C44-Q96 PolarHBondContact N-O 3.26Å; C44-Q96 PolarHBondContact SG-O 2.68Å
45F96.2Very high93.1Very high8 Ų848.4 Ų48.44%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-113.2133.5167-70.9-95.2000110.1Y11 I24 R26 V43 L91 F92 L93 V111 Y132Y11-F45 AromaticContact CD1-CE2 3.97Å; Y11-F45 HydrophobicContact CD1-CE2 3.97Å; Y11-F45 HydrophobicContact CD1-CZ 4.26Å; Y11-F45 AromaticContact CE1-CE2 3.82Å; Y11-F45 HydrophobicContact CE1-CE2 3.82Å; Y11-F45 AromaticContact CE1-CZ 3.72Å; Y11-F45 HydrophobicContact CE1-CZ 3.72Å; I24-F45 HydrophobicContact CB-CB 4.04Å; I24-F45 HydrophobicContact CG2-CB 4.14Å; I24-F45 HydrophobicContact CG2-CD2 4.26Å; I24-F45 HydrophobicContact CG2-CG 4.31Å; I24-F45 WeakPolarHBondContact O-CB 3.5Å; I24-F45 PolarHBondContact O-N 3.48Å; I24-F45 VanDerWaalsContact O-N 3.11Å; R26-F45 HydrophobicContact CB-CE2 4.08Å; V43-F45 HydrophobicContact CG1-CE2 4.27Å; F45-L91 HydrophobicContact CB-CB 4.25Å; F45-L91 HydrophobicContact CB-CD1 4.01Å; F45-L91 HydrophobicContact CD1-CB 3.97Å; F45-L91 HydrophobicContact CD1-CD1 4.2Å; F45-L91 HydrophobicContact CG-CD1 4.26Å; F45-F92 WeakPolarHBondContact CA-O 3.37Å; F45-L93 HydrophobicContact CD1-CB 4.45Å; F45-L93 HydrophobicContact CE1-CB 4.02Å; F45-L93 HydrophobicContact CE1-CD1 3.83Å; F45-L93 HydrophobicContact CE2-CD1 4.23Å; F45-L93 HydrophobicContact CZ-CD1 3.65Å; F45-V111 HydrophobicContact CD1-CG1 4.17Å; F45-V111 HydrophobicContact CE1-CG1 3.76Å; F45-V111 HydrophobicContact CZ-CG1 4.19Å; F45-Y132 AromaticContact CE1-CD1 3.96Å; F45-Y132 HydrophobicContact CE1-CD1 3.96Å; F45-Y132 HydrophobicContact CE1-CE1 4.36Å; F45-Y132 HydrophobicContact CE1-CG 4.27Å
46Y95.3Very high93.2Very high41 Ų4145.4 Ų45.416%0.16124%0.239CC..EExtended strand (participates in β ladder)trans-105.2141.8-179.2-72.2-102.8000109.7C44 D50 L91 F92 Y136C44-Y46 HydrophobicContact CB-CD2 4.43Å; C44-Y46 HydrophobicContact CB-CE2 3.75Å; Y46-D50 HydrophobicContact CD1-CB 3.79Å; Y46-L91 CarbonylContact O-C 3.4Å; Y46-L91 WeakPolarHBondContact O-CA 3.43Å; Y46-F92 PolarHBondContact N-O 3.1Å; Y46-F92 WeakPolarHBondContact O-CD2 3.46Å; Y46-F92 PolarHBondContact O-N 3.24Å; Y46-Y136 HydrophobicContact CD1-CD1 4.14Å; Y46-Y136 AromaticContact CD1-CE1 3.92Å; Y46-Y136 HydrophobicContact CD1-CE1 3.92Å; Y46-Y136 AromaticContact CD2-CD1 3.83Å; Y46-Y136 HydrophobicContact CD2-CD1 3.83Å; Y46-Y136 HydrophobicContact CD2-CE1 4.34Å; Y46-Y136 HydrophobicContact CE1-CE1 4.12Å; Y46-Y136 HydrophobicContact CE2-CD1 4.28Å; Y46-Y136 AromaticContact CG-CD1 3.77Å; Y46-Y136 HydrophobicContact CG-CD1 3.77Å; Y46-Y136 HydrophobicContact CG-CE1 4.04Å
47R94.4Very high93.4Very high10 Ų1050.4 Ų50.44%0.03826%0.255CS..EExtended strand (participates in β ladder)trans-87.2166.5169.2-62.9-171.7176.8109.2-5.4110.3Y22 I24 R49 D50 L91 K412 Y413Y22-R47 PolarHBondContact O-NH1 3.21Å; Y22-R47 PolarHBondContact O-NH2 3.12Å; I24-R47 HydrophobicContact CD1-CG 4.49Å; R47-R49 HydrophobicContact CB-CG 4.25Å; R47-R49 PolarHBondContact O-N 3.24Å; R47-D50 WeakPolarHBondContact CB-OD2 3.48Å; R47-D50 PolarHBondContact N-OD2 3.16Å; R47-D50 WeakPolarHBondContact O-CB 3.45Å; R47-D50 PolarHBondContact O-N 3.49Å; R47-L91 HydrophobicContact CG-CD2 3.84Å; R47-K412 PolarHBondContact NH2-O 3.32Å; R47-Y413 PolarHBondContact NE-O 3.02Å
48R92.5Very high93.3Very high35 Ų3549.2 Ų49.213%0.13225%0.248CC..G310 helixtrans-47.6-44.2171.4-72.9-178.6162.6-113.6-2.2113.4D50 I51 I56 D60 E90 F92R48-D50 PolarHBondContact O-N 3.41Å; R48-I51 WeakPolarHBondContact O-CG1 3.47Å; R48-I51 PolarHBondContact O-N 3.35Å; R48-I56 HydrophobicContact CB-CD1 4.48Å; R48-I56 VanDerWaalsContact O-CD1 3.23Å; R48-I56 WeakPolarHBondContact O-CD1 3.5Å; R48-D60 IonicContact CZ-OD1 3.98Å; R48-D60 IonicContact NH1-OD1 3.05Å; R48-D60 PolarHBondContact NH1-OD1 3.46Å; R48-D60 IonicContact NH1-OD2 2.83Å; R48-D60 IonicContact NH2-OD1 3.83Å; R48-D60 PolarHBondContact NH2-OD1 2.61Å; R48-E90 IonicContact CZ-OE2 2.78Å; R48-E90 IonicContact NE-OE2 3.7Å; R48-E90 PolarHBondContact NE-OE2 2.91Å; R48-E90 IonicContact NH2-OE1 3.08Å; R48-E90 IonicContact NH2-OE2 2.63Å; R48-E90 PolarHBondContact NH2-OE2 3.48Å; R48-F92 HydrophobicContact CG-CE2 3.86Å; R48-F92 HydrophobicContact CG-CZ 4.32Å
49R89.1Confident93Very high114 Ų11447.8 Ų47.843%0.4324%0.239SC..G310 helixtrans-67.4-19.7179.477.4-173.1-172.7173.13.5114.5P21 R47 I51 G414P21-R49 VanDerWaalsContact CG-NH1 3.25Å; R47-R49 HydrophobicContact CB-CG 4.25Å; R47-R49 PolarHBondContact O-N 3.24Å; R49-I51 VanDerWaalsContact C-N 3.34Å; R49-G414 PolarHBondContact NH1-O 2.52Å
50D90.9Very high92.8Very high61 Ų6146.4 Ų46.433%0.32624%0.235SC..G310 helixtrans-89.4-8.4-175.3-51.3-38.9000111Y46 R47 R48Y46-D50 HydrophobicContact CD1-CB 3.79Å; R47-D50 WeakPolarHBondContact CB-OD2 3.48Å; R47-D50 PolarHBondContact N-OD2 3.16Å; R47-D50 WeakPolarHBondContact O-CB 3.45Å; R47-D50 PolarHBondContact O-N 3.49Å; R48-D50 PolarHBondContact O-N 3.41Å
51I91.9Very high92.4Very high12 Ų1252.1 Ų52.16%0.06226%0.259CS..SBendtrans-112.9162.617662.6167.9000111R48 R49 L55 I56 F92 Y136 L143R48-I51 WeakPolarHBondContact O-CG1 3.47Å; R48-I51 PolarHBondContact O-N 3.35Å; R49-I51 VanDerWaalsContact C-N 3.34Å; I51-L55 HydrophobicContact CB-CD1 4.49Å; I51-L55 HydrophobicContact CD1-CB 4.16Å; I51-I56 HydrophobicContact CD1-CG1 4.11Å; I51-I56 HydrophobicContact CG1-CG1 3.93Å; I51-F92 HydrophobicContact CD1-CD1 4.33Å; I51-F92 HydrophobicContact CD1-CD2 3.76Å; I51-F92 HydrophobicContact CD1-CE1 4.01Å; I51-F92 HydrophobicContact CD1-CE2 3.43Å; I51-F92 VanDerWaalsContact CD1-CE2 3.43Å; I51-F92 HydrophobicContact CD1-CG 4.22Å; I51-F92 HydrophobicContact CD1-CZ 3.57Å; I51-F92 HydrophobicContact CG1-CD2 4.49Å; I51-F92 HydrophobicContact CG1-CE2 4.28Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 4.01Å; I51-Y136 HydrophobicContact CG2-CE1 3.61Å; I51-Y136 HydrophobicContact CG2-CE2 3.9Å; I51-Y136 HydrophobicContact CG2-CG 3.95Å; I51-L143 HydrophobicContact CD1-CD1 4.39Å
52S92.3Very high91.8Very high56 Ų5650.4 Ų50.439%0.39225%0.252SS..  trans-73151.1-17664.50000112.6T54 L55 I56S52-T54 PolarHBondContact O-N 3.07Å; S52-T54 VanDerWaalsContact O-N 3.12Å; S52-L55 WeakPolarHBondContact O-CA 3.25Å; S52-L55 WeakPolarHBondContact O-CB 3.37Å; S52-L55 PolarHBondContact O-N 2.88Å; S52-L55 WeakPolarHBondContact OG-CG 3.45Å; S52-I56 PolarHBondContact O-N 3.49Å
53N91.6Very high91.2Very high129 Ų12952.5 Ų52.569%0.6927%0.27SS*.Hα-helixtrans-54.1-34.7177.9-71-19.8000113.6L55 I56 M57N53-L55 VanDerWaalsContact C-N 3.3Å; N53-L55 PolarHBondContact O-N 3.43Å; N53-I56 PolarHBondContact O-N 3.35Å; N53-M57 WeakPolarHBondContact O-CG 3.43Å; N53-M57 PolarHBondContact O-N 3Å
54T91.6Very high90.5Very high110 Ų11058.4 Ų58.468%0.67530%0.295SS*.Hα-helixtrans-62.1-37.8175.6-49.10000112.3S52 L58S52-T54 PolarHBondContact O-N 3.07Å; S52-T54 VanDerWaalsContact O-N 3.12Å; T54-L58 PolarHBondContact O-N 3.44Å
55L92Very high89.7Confident16 Ų1661.8 Ų61.88%0.08431%0.311CS..Hα-helixtrans-75.7-34.3176.7-66.7177.4000111.7I51 S52 N53 M57 L58 A59 Y136 K141 L143I51-L55 HydrophobicContact CB-CD1 4.49Å; I51-L55 HydrophobicContact CD1-CB 4.16Å; S52-L55 WeakPolarHBondContact O-CA 3.25Å; S52-L55 WeakPolarHBondContact O-CB 3.37Å; S52-L55 PolarHBondContact O-N 2.88Å; S52-L55 WeakPolarHBondContact OG-CG 3.45Å; N53-L55 VanDerWaalsContact C-N 3.3Å; N53-L55 PolarHBondContact O-N 3.43Å; L55-M57 VanDerWaalsContact C-N 3.32Å; L55-M57 PolarHBondContact O-N 2.92Å; L55-L58 WeakPolarHBondContact O-CB 3.24Å; L55-L58 PolarHBondContact O-N 2.84Å; L55-L58 VanDerWaalsContact O-N 3.14Å; L55-A59 PolarHBondContact O-N 3.24Å; L55-Y136 HydrophobicContact CD1-CD2 4.12Å; L55-Y136 HydrophobicContact CD1-CE2 3.58Å; L55-K141 HydrophobicContact CD1-CB 4.47Å; L55-K141 WeakPolarHBondContact CD2-O 3.4Å; L55-L143 HydrophobicContact CB-CD1 3.78Å; L55-L143 HydrophobicContact CB-CG 4.23Å; L55-L143 HydrophobicContact CD2-CD1 4.33Å; L55-L143 HydrophobicContact CD2-CG 4.14Å; L55-L143 WeakPolarHBondContact O-CD1 3.45Å
56I92.1Very high88.7Confident29 Ų2963.4 Ų63.415%0.14932%0.319CS..Hα-helixtrans-59.7-45.3172.5-59.6173000110.2R48 I51 S52 N53 L58 A59 D60R48-I56 HydrophobicContact CB-CD1 4.48Å; R48-I56 VanDerWaalsContact O-CD1 3.23Å; R48-I56 WeakPolarHBondContact O-CD1 3.5Å; I51-I56 HydrophobicContact CD1-CG1 4.11Å; I51-I56 HydrophobicContact CG1-CG1 3.93Å; S52-I56 PolarHBondContact O-N 3.49Å; N53-I56 PolarHBondContact O-N 3.35Å; I56-L58 PolarHBondContact O-N 2.85Å; I56-A59 WeakPolarHBondContact O-CB 3.25Å; I56-A59 PolarHBondContact O-N 3.46Å; I56-D60 PolarHBondContact O-N 3.29Å
57M90.4Very high87.6Confident140 Ų14067.6 Ų67.669%0.6934%0.341SS*.Hα-helixtrans-59.9-35.5175.7-70.5-179.767.600112.8N53 L55 K61N53-M57 WeakPolarHBondContact O-CG 3.43Å; N53-M57 PolarHBondContact O-N 3Å; L55-M57 VanDerWaalsContact C-N 3.32Å; L55-M57 PolarHBondContact O-N 2.92Å; M57-K61 PolarHBondContact O-N 3.45Å
58L88.8Confident86.6Confident82 Ų8274 Ų7443%0.42937%0.371SS..Hα-helixtrans-70.5-41.7176.4-176.664.9000111.6T54 L55 I56 D60 K61 H62 L143T54-L58 PolarHBondContact O-N 3.44Å; L55-L58 WeakPolarHBondContact O-CB 3.24Å; L55-L58 PolarHBondContact O-N 2.84Å; L55-L58 VanDerWaalsContact O-N 3.14Å; I56-L58 PolarHBondContact O-N 2.85Å; L58-D60 VanDerWaalsContact C-N 3.33Å; L58-K61 WeakPolarHBondContact O-CB 3.22Å; L58-K61 PolarHBondContact O-N 2.88Å; L58-H62 PolarHBondContact O-N 3.49Å; L58-L143 HydrophobicContact CD2-CB 4.26Å
59A89.1Confident85.3Confident1 Ų180 Ų801%0.00840%0.4CS..Hα-helixtrans-61.1-43174.100000111.4L55 I56 K61 H62 A63 F92 L134 L143L55-A59 PolarHBondContact O-N 3.24Å; I56-A59 WeakPolarHBondContact O-CB 3.25Å; I56-A59 PolarHBondContact O-N 3.46Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 3.41Å; A59-H62 PolarHBondContact O-N 3.11Å; A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 3.1Å; A59-F92 HydrophobicContact CB-CE1 3.81Å; A59-F92 HydrophobicContact CB-CZ 3.88Å; A59-L134 HydrophobicContact CB-CD1 3.74Å; A59-L143 HydrophobicContact CB-CD1 4.05Å
60D89.7Confident84.1Confident53 Ų5377.5 Ų77.528%0.28340%0.4SS..Hα-helixtrans-64.7-36.4176.3-69.6-24.6000112.1R48 I56 L58 K64R48-D60 IonicContact CZ-OD1 3.98Å; R48-D60 IonicContact NH1-OD1 3.05Å; R48-D60 PolarHBondContact NH1-OD1 3.46Å; R48-D60 IonicContact NH1-OD2 2.83Å; R48-D60 IonicContact NH2-OD1 3.83Å; R48-D60 PolarHBondContact NH2-OD1 2.61Å; I56-D60 PolarHBondContact O-N 3.29Å; L58-D60 VanDerWaalsContact C-N 3.33Å; D60-K64 WeakPolarHBondContact O-CG 3.28Å; D60-K64 PolarHBondContact O-N 3.28Å
61K87.4Confident82.1Confident119 Ų11983.2 Ų83.252%0.51743%0.425SS..Hα-helixtrans-63.9-47173.6-172.3177.9-174.2-84.50111.4M57 L58 A59 A63 K64 E65M57-K61 PolarHBondContact O-N 3.45Å; L58-K61 WeakPolarHBondContact O-CB 3.22Å; L58-K61 PolarHBondContact O-N 2.88Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 3.41Å; K61-A63 PolarHBondContact O-N 3.09Å; K61-K64 WeakPolarHBondContact O-CB 3.48Å; K61-K64 PolarHBondContact O-N 3.14Å; K61-E65 IonicContact NZ-OE1 3.79Å; K61-E65 PolarHBondContact NZ-OE1 3.17Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.13Å
62H84.4Confident79.9Confident38 Ų3888.3 Ų88.318%0.17646%0.457CS..Hα-helixtrans-65.4-37.2178.9179.6-89000112.5L58 A59 K64 E65 I66L58-H62 PolarHBondContact O-N 3.49Å; A59-H62 PolarHBondContact O-N 3.11Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 2.9Å; H62-E65 PolarHBondContact O-N 3.33Å; H62-I66 WeakPolarHBondContact CE1-CD1 3.32Å; H62-I66 WeakPolarHBondContact O-CG1 3.43Å; H62-I66 PolarHBondContact O-N 2.96Å
63A82.8Confident77.6Confident44 Ų4491.6 Ų91.636%0.36448%0.475SS..Hα-helixtrans-62.2-40.2174.800000111.8A59 K61 I66 E67A59-A63 WeakPolarHBondContact O-CB 3.34Å; A59-A63 PolarHBondContact O-N 3.1Å; K61-A63 PolarHBondContact O-N 3.09Å; A63-I66 PolarHBondContact O-N 3.19Å; A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 3.42Å
64K82.1Confident75.5Confident128 Ų12892 Ų9256%0.55748%0.482SS*.Hα-helixtrans-66.1-41.9174.2-71.9-180177.6-165.50112.8D60 K61 H62 I66 E67 E68D60-K64 WeakPolarHBondContact O-CG 3.28Å; D60-K64 PolarHBondContact O-N 3.28Å; K61-K64 WeakPolarHBondContact O-CB 3.48Å; K61-K64 PolarHBondContact O-N 3.14Å; H62-K64 VanDerWaalsContact C-N 3.31Å; H62-K64 PolarHBondContact O-N 2.9Å; K64-I66 VanDerWaalsContact C-N 3.32Å; K64-I66 PolarHBondContact O-N 2.9Å; K64-E67 WeakPolarHBondContact O-CB 3.4Å; K64-E67 PolarHBondContact O-N 3.4Å; K64-E68 WeakPolarHBondContact O-CB 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 2.86Å
65E79.9Confident73.5Confident71 Ų7194.8 Ų94.833%0.33249%0.487SS..Hα-helixtrans-60.8-42176.6-71.9166.6175.600111.1K61 H62 E68 E69K61-E65 IonicContact NZ-OE1 3.79Å; K61-E65 PolarHBondContact NZ-OE1 3.17Å; K61-E65 WeakPolarHBondContact O-CG 3.43Å; K61-E65 PolarHBondContact O-N 3.13Å; H62-E65 PolarHBondContact O-N 3.33Å; E65-E68 PolarHBondContact O-N 3.19Å; E65-E69 WeakPolarHBondContact O-CB 3.15Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 3.02Å
66I74.1Confident71.7Confident42 Ų4296.6 Ų96.622%0.21551%0.505CS..Hα-helixtrans-63.8-41.9174-72.2178.5000111.7H62 A63 K64 E69 S70H62-I66 WeakPolarHBondContact CE1-CD1 3.32Å; H62-I66 WeakPolarHBondContact O-CG1 3.43Å; H62-I66 PolarHBondContact O-N 2.96Å; A63-I66 PolarHBondContact O-N 3.19Å; K64-I66 VanDerWaalsContact C-N 3.32Å; K64-I66 PolarHBondContact O-N 2.9Å; I66-E69 PolarHBondContact O-N 3.48Å; I66-S70 VanDerWaalsContact O-CB 3.3Å; I66-S70 WeakPolarHBondContact O-CB 3.24Å; I66-S70 PolarHBondContact O-N 3.05Å; I66-S70 VanDerWaalsContact O-N 3.17Å; I66-S70 PolarHBondContact O-OG 3.02Å
67E73Confident70.6Confident129 Ų129102.1 Ų102.160%0.60353%0.534SS*.Hα-helixtrans-62.1-44.6177.8-169.7172.4-164.300110.7A63 K64 S70A63-E67 WeakPolarHBondContact O-CB 3.47Å; A63-E67 PolarHBondContact O-N 3.42Å; K64-E67 WeakPolarHBondContact O-CB 3.4Å; K64-E67 PolarHBondContact O-N 3.4Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 PolarHBondContact O-OG 3.45Å
68E72.3Confident70Confident144 Ų14497.5 Ų97.567%0.67351%0.512SS*.Hα-helixtrans-64.8-37.4176.6-72.9172.9-167.300113K64 E65 S70K64-E68 WeakPolarHBondContact O-CB 3.31Å; K64-E68 WeakPolarHBondContact O-CG 3.24Å; K64-E68 PolarHBondContact O-N 2.86Å; E65-E68 PolarHBondContact O-N 3.19Å; E68-S70 VanDerWaalsContact C-N 3.32Å
69E65.9Low69.9Low161 Ų16197.2 Ų97.275%0.75251%0.514SS*.Hα-helixtrans-74.2-21.3177.9-75.4178.3175.100113.4E65 I66 E71E65-E69 WeakPolarHBondContact O-CB 3.15Å; E65-E69 WeakPolarHBondContact O-CG 3.45Å; E65-E69 PolarHBondContact O-N 3.02Å; I66-E69 PolarHBondContact O-N 3.48Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 3.26Å; E69-E71 VanDerWaalsContact O-N 3.13Å
70S63Low69.6Low62 Ų62103.4 Ų103.443%0.43455%0.547SS..  trans-86.137.5-17168.40000115.2I66 E67 E68 T72I66-S70 VanDerWaalsContact O-CB 3.3Å; I66-S70 WeakPolarHBondContact O-CB 3.24Å; I66-S70 PolarHBondContact O-N 3.05Å; I66-S70 VanDerWaalsContact O-N 3.17Å; I66-S70 PolarHBondContact O-OG 3.02Å; E67-S70 PolarHBondContact O-N 3.35Å; E67-S70 PolarHBondContact O-OG 3.45Å; E68-S70 VanDerWaalsContact C-N 3.32Å; S70-T72 PolarHBondContact O-N 3.48Å; S70-T72 PolarHBondContact O-OG1 3.2Å
71E50.6Low69.5Low181 Ų181105.4 Ų105.485%0.84655%0.553SS**  trans-50.612.5-172.2-71.9-170.7152.700118.6E69 T73E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 3.26Å; E69-E71 VanDerWaalsContact O-N 3.13Å; E71-T73 PolarHBondContact O-N 3.5Å
72T44.6Very low69.5Low120 Ų120102.6 Ų102.674%0.73654%0.542SS*.  trans-8496.6167.7300000113.3S70S70-T72 PolarHBondContact O-N 3.48Å; S70-T72 PolarHBondContact O-OG1 3.2Å
73T44.3Very low69.6Low124 Ų124105.4 Ų105.476%0.76155%0.554SS**SBendtrans41.3120.7136.955.80000119.8E71E71-T73 PolarHBondContact O-N 3.5Å
74V46.7Very low69.8Low138 Ų138104.7 Ų104.784%0.83654%0.543SS*.  trans82.875.9173.4-163.30000113.2A76V74-A76 PolarHBondContact O-N 2.7Å
75E50.3Low70.2Confident168 Ų16899.8 Ų99.879%0.78552%0.522SS*.  trans-56.1107.7157.2-70.7-167.3169.700108.5D77E75-D77 PolarHBondContact O-N 2.87Å; E75-D77 VanDerWaalsContact O-N 3.16Å
76A54.7Low70.6Confident55 Ų5597 Ų9746%0.45551%0.509SS..  trans-72.5103.5159.600000105.8V74 L78 L121V74-A76 PolarHBondContact O-N 2.7Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 2.86Å; A76-L121 HydrophobicContact CB-CD1 3.81Å
77D68Low71.3Confident144 Ų144100.2 Ų100.277%0.7752%0.522SS*.  trans-51.793.8173.9-105.5-31000109.6E75 T79E75-D77 PolarHBondContact O-N 2.87Å; E75-D77 VanDerWaalsContact O-N 3.16Å; D77-T79 PolarHBondContact O-N 2.89Å
78L78.1Confident72.2Confident43 Ų4395.6 Ų95.623%0.22550%0.5CS..  trans-70.2121.6-178.6-71176.9000107.9A76 Q82 K83 L86 L121A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 2.86Å; L78-Q82 HydrophobicContact CD2-CB 4.26Å; L78-K83 HydrophobicContact CB-CD 4.32Å; L78-K83 HydrophobicContact CB-CG 3.68Å; L78-K83 HydrophobicContact CD1-CG 4.29Å; L78-K83 WeakPolarHBondContact O-CE 3.22Å; L78-L86 HydrophobicContact CD1-CD1 3.79Å; L78-L86 HydrophobicContact CD2-CD1 4.46Å; L78-L121 HydrophobicContact CD2-CD1 4.05Å; L78-L121 HydrophobicContact CD2-CD2 3.23Å; L78-L121 HydrophobicContact CD2-CG 3.62Å
79T86.3Confident73.2Confident76 Ų7689.4 Ų89.447%0.46647%0.47SS..  trans-58.6150.6171.861.80000110.3D77 K81 Q82 K83D77-T79 PolarHBondContact O-N 2.89Å; T79-K81 PolarHBondContact O-N 2.83Å; T79-Q82 WeakPolarHBondContact O-CA 3.5Å; T79-Q82 WeakPolarHBondContact O-CB 3.23Å; T79-Q82 PolarHBondContact O-N 2.93Å; T79-Q82 VanDerWaalsContact OG1-CD 3.29Å; T79-Q82 VanDerWaalsContact OG1-CG 3.28Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.48Å; T79-Q82 PolarHBondContact OG1-N 3.36Å; T79-Q82 PolarHBondContact OG1-OE1 3.23Å; T79-K83 PolarHBondContact O-N 3.36Å
80D84.7Confident74.4Confident132 Ų13282.3 Ų82.371%0.70644%0.437SS*.Hα-helixtrans-55.3-32.9178.4-67.3-39.3000112.5K83 H84D80-K83 PolarHBondContact O-N 2.91Å; D80-H84 VanDerWaalsContact O-CB 3.28Å; D80-H84 WeakPolarHBondContact O-CB 3.46Å; D80-H84 PolarHBondContact O-N 3.03Å
81K86.3Confident76Confident94 Ų9479.3 Ų79.341%0.40942%0.417SS..Hα-helixtrans-63.2-44172.9-178.2179.8174.4-1790112.4T79 Q85 M418T79-K81 PolarHBondContact O-N 2.83Å; K81-Q85 WeakPolarHBondContact O-CB 3Å; K81-Q85 VanDerWaalsContact O-CG 3.25Å; K81-Q85 WeakPolarHBondContact O-CG 3.5Å; K81-Q85 PolarHBondContact O-N 2.85Å; K81-M418 HydrophobicContact CD-CE 4.24Å; K81-M418 HydrophobicContact CD-SD 3.76Å; K81-M418 VanDerWaalsContact CE-SD 3.52Å; K81-M418 HydrophobicContact CG-SD 4.12Å
82Q87.9Confident78.1Confident60 Ų6070.7 Ų70.728%0.2838%0.376SS..Hα-helixtrans-67.7-44.1177-74.3163.1-46.700111L78 T79 H84 Q85 L86 L124L78-Q82 HydrophobicContact CD2-CB 4.26Å; T79-Q82 WeakPolarHBondContact O-CA 3.5Å; T79-Q82 WeakPolarHBondContact O-CB 3.23Å; T79-Q82 PolarHBondContact O-N 2.93Å; T79-Q82 VanDerWaalsContact OG1-CD 3.29Å; T79-Q82 VanDerWaalsContact OG1-CG 3.28Å; T79-Q82 WeakPolarHBondContact OG1-CG 3.48Å; T79-Q82 PolarHBondContact OG1-N 3.36Å; T79-Q82 PolarHBondContact OG1-OE1 3.23Å; Q82-H84 VanDerWaalsContact C-N 3.32Å; Q82-H84 PolarHBondContact O-N 3.47Å; Q82-Q85 PolarHBondContact O-N 3.31Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; Q82-L86 WeakPolarHBondContact O-CB 3.44Å; Q82-L86 WeakPolarHBondContact O-CG 3.18Å; Q82-L86 PolarHBondContact O-N 3.06Å; Q82-L124 HydrophobicContact CB-CD1 3.82Å; Q82-L124 HydrophobicContact CG-CD1 3.84Å
83K85.6Confident80.5Confident97 Ų9766 Ų6642%0.42235%0.346SS..Hα-helixtrans-56.9-45.6174.3-67.2-178.4178.11720111.3L78 T79 D80 Q85 L86 K87L78-K83 HydrophobicContact CB-CD 4.32Å; L78-K83 HydrophobicContact CB-CG 3.68Å; L78-K83 HydrophobicContact CD1-CG 4.29Å; L78-K83 WeakPolarHBondContact O-CE 3.22Å; T79-K83 PolarHBondContact O-N 3.36Å; D80-K83 PolarHBondContact O-N 2.91Å; K83-Q85 PolarHBondContact O-N 3.3Å; K83-L86 PolarHBondContact O-N 3.18Å; K83-K87 PolarHBondContact O-N 3.45Å
84H88.4Confident82.8Confident29 Ų2960.1 Ų60.113%0.13431%0.31CS..Hα-helixtrans-60-44.1174.5177.571.6000112.4D80 Q82 K87 H88 L416 P419D80-H84 VanDerWaalsContact O-CB 3.28Å; D80-H84 WeakPolarHBondContact O-CB 3.46Å; D80-H84 PolarHBondContact O-N 3.03Å; Q82-H84 VanDerWaalsContact C-N 3.32Å; Q82-H84 PolarHBondContact O-N 3.47Å; H84-K87 PolarHBondContact O-N 2.74Å; H84-H88 AromaticContact CD2-NE2 3.51Å; H84-H88 AromaticContact CE1-CE1 3.77Å; H84-H88 AromaticContact CE1-NE2 3.28Å; H84-H88 PolarHBondContact CE1-NE2 3.36Å; H84-H88 VanDerWaalsContact CE1-NE2 3.28Å; H84-H88 AromaticContact CG-NE2 3.88Å; H84-H88 AromaticContact ND1-NE2 3.73Å; H84-H88 AromaticContact NE2-CE1 3.95Å; H84-H88 AromaticContact NE2-NE2 3.1Å; H84-H88 PolarHBondContact NE2-NE2 2.95Å; H84-H88 PolarHBondContact O-CD2 2.83Å; H84-H88 PolarHBondContact O-NE2 3.17Å; H84-L416 PolarHBondContact NE2-O 2.88Å; H84-P419 HydrophobicContact CB-CG 4.3Å
85Q89.1Confident84.7Confident26 Ų2661.7 Ų61.712%0.12130%0.301CS..Hα-helixtrans-68.4-37.3-179.4-72.7177.6800113.1K81 Q82 K83 K87 H88 R89 L124 K417K81-Q85 WeakPolarHBondContact O-CB 3Å; K81-Q85 VanDerWaalsContact O-CG 3.25Å; K81-Q85 WeakPolarHBondContact O-CG 3.5Å; K81-Q85 PolarHBondContact O-N 2.85Å; Q82-Q85 PolarHBondContact O-N 3.31Å; Q82-Q85 VanDerWaalsContact O-N 3.11Å; K83-Q85 PolarHBondContact O-N 3.3Å; Q85-K87 VanDerWaalsContact C-N 3.33Å; Q85-K87 PolarHBondContact O-N 3.3Å; Q85-H88 PolarHBondContact O-N 3.2Å; Q85-H88 VanDerWaalsContact O-N 3.09Å; Q85-R89 PolarHBondContact O-N 3.21Å; Q85-L124 HydrophobicContact CB-CD2 3.83Å; Q85-K417 PolarHBondContact NE2-O 3.3Å; Q85-K417 VanDerWaalsContact NE2-O 3.09Å
86L89.3Confident86.6Confident13 Ų1357.4 Ų57.47%0.06828%0.281CS..Hα-helixtrans-62.5-37.9176.5-77.2169.2000112.7L78 Q82 K83 H88 R89 E90 V120 L124 F131L78-L86 HydrophobicContact CD1-CD1 3.79Å; L78-L86 HydrophobicContact CD2-CD1 4.46Å; Q82-L86 WeakPolarHBondContact O-CB 3.44Å; Q82-L86 WeakPolarHBondContact O-CG 3.18Å; Q82-L86 PolarHBondContact O-N 3.06Å; K83-L86 PolarHBondContact O-N 3.18Å; L86-H88 PolarHBondContact O-N 2.87Å; L86-H88 VanDerWaalsContact O-N 3.13Å; L86-R89 WeakPolarHBondContact O-CA 3.4Å; L86-R89 WeakPolarHBondContact O-CB 3.39Å; L86-R89 PolarHBondContact O-N 3.24Å; L86-E90 PolarHBondContact O-N 2.82Å; L86-E90 VanDerWaalsContact O-N 3.1Å; L86-V120 HydrophobicContact CD1-CG1 3.64Å; L86-V120 HydrophobicContact CD2-CG1 3.55Å; L86-V120 WeakPolarHBondContact CD2-O 3.47Å; L86-V120 HydrophobicContact CG-CG1 4.13Å; L86-L124 HydrophobicContact CD1-CD1 4.42Å; L86-L124 HydrophobicContact CD2-CD1 4.17Å; L86-L124 HydrophobicContact CD2-CD2 3.8Å; L86-L124 HydrophobicContact CD2-CG 3.65Å; L86-L124 HydrophobicContact CG-CD1 3.94Å; L86-L124 HydrophobicContact CG-CD2 4.03Å; L86-L124 HydrophobicContact CG-CG 3.96Å; L86-F131 HydrophobicContact CD2-CE1 4.31Å
87K89.2Confident88.5Confident108 Ų10860.5 Ų60.547%0.4728%0.282SS..Hα-helixtrans-57.5-27.6173.6-70.4177.7-177.4179.90113.1K83 H84 Q85K83-K87 PolarHBondContact O-N 3.45Å; H84-K87 PolarHBondContact O-N 2.74Å; Q85-K87 VanDerWaalsContact C-N 3.33Å; Q85-K87 PolarHBondContact O-N 3.3Å
88H91.4Very high89.8Confident33 Ų3356.1 Ų56.115%0.15326%0.257CS..Hα-helixtrans-84.7-16175.2-50.4-57.3000113.5H84 Q85 L86H84-H88 AromaticContact CD2-NE2 3.51Å; H84-H88 AromaticContact CE1-CE1 3.77Å; H84-H88 AromaticContact CE1-NE2 3.28Å; H84-H88 PolarHBondContact CE1-NE2 3.36Å; H84-H88 VanDerWaalsContact CE1-NE2 3.28Å; H84-H88 AromaticContact CG-NE2 3.88Å; H84-H88 AromaticContact ND1-NE2 3.73Å; H84-H88 AromaticContact NE2-CE1 3.95Å; H84-H88 AromaticContact NE2-NE2 3.1Å; H84-H88 PolarHBondContact NE2-NE2 2.95Å; H84-H88 PolarHBondContact O-CD2 2.83Å; H84-H88 PolarHBondContact O-NE2 3.17Å; Q85-H88 PolarHBondContact O-N 3.2Å; Q85-H88 VanDerWaalsContact O-N 3.09Å; L86-H88 PolarHBondContact O-N 2.87Å; L86-H88 VanDerWaalsContact O-N 3.13Å
89R92.2Very high90.6Very high13 Ų1357.6 Ų57.65%0.04927%0.271CS..Hα-helixtrans-87.4-18.8174.4-56.5-51.7-167.2100.69112.4Q85 L86 Y123 L124 K126 T129 F130 F131Q85-R89 PolarHBondContact O-N 3.21Å; L86-R89 WeakPolarHBondContact O-CA 3.4Å; L86-R89 WeakPolarHBondContact O-CB 3.39Å; L86-R89 PolarHBondContact O-N 3.24Å; R89-Y123 VanDerWaalsContact CZ-O 3.3Å; R89-Y123 PolarHBondContact NH1-O 3.41Å; R89-L124 HydrophobicContact CG-CD2 4.09Å; R89-K126 PolarHBondContact NH1-O 3.41Å; R89-K126 PolarHBondContact NH2-O 2.77Å; R89-T129 WeakPolarHBondContact CD-O 3.5Å; R89-T129 PolarHBondContact NH1-O 2.85Å; R89-F130 VanDerWaalsContact O-CA 3.27Å; R89-F130 WeakPolarHBondContact O-CA 3.45Å; R89-F130 VanDerWaalsContact O-CB 3.26Å; R89-F130 WeakPolarHBondContact O-CB 3.35Å; R89-F130 WeakPolarHBondContact O-CD1 3.18Å; R89-F131 HydrophobicContact CB-CD1 4.17Å; R89-F131 HydrophobicContact CB-CE1 4.01Å; R89-F131 PolarHBondContact O-N 2.84Å
90E92.8Very high90.9Very high12 Ų1255.8 Ų55.86%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-74.7130.6175.3-171-176.7-166.300111.7R48 L86 F131R48-E90 IonicContact CZ-OE2 2.78Å; R48-E90 IonicContact NE-OE2 3.7Å; R48-E90 PolarHBondContact NE-OE2 2.91Å; R48-E90 IonicContact NH2-OE1 3.08Å; R48-E90 IonicContact NH2-OE2 2.63Å; R48-E90 PolarHBondContact NH2-OE2 3.48Å; L86-E90 PolarHBondContact O-N 2.82Å; L86-E90 VanDerWaalsContact O-N 3.1Å; E90-F131 CarbonylContact C-O 3.51Å; E90-F131 WeakPolarHBondContact CA-O 3.44Å; E90-F131 HydrophobicContact CB-CE1 4.37Å; E90-F131 HydrophobicContact CB-CE2 3.98Å; E90-F131 HydrophobicContact CB-CZ 3.8Å; E90-F131 HydrophobicContact CG-CE2 3.88Å; E90-F131 HydrophobicContact CG-CZ 4.2Å
91L95.1Very high91.4Very high0 Ų051.9 Ų51.90%024%0.24CC..EExtended strand (participates in β ladder)trans-125.2160.3175.1-62.1176.7000110.3I24 F45 Y46 R47 V111 F130 F131 Y132I24-L91 HydrophobicContact CB-CD1 3.9Å; I24-L91 HydrophobicContact CD1-CD1 4.34Å; I24-L91 HydrophobicContact CD1-CD2 3.86Å; I24-L91 HydrophobicContact CG1-CD1 4Å; I24-L91 HydrophobicContact CG1-CD2 4.42Å; I24-L91 HydrophobicContact CG2-CD1 3.71Å; F45-L91 HydrophobicContact CB-CB 4.25Å; F45-L91 HydrophobicContact CB-CD1 4.01Å; F45-L91 HydrophobicContact CD1-CB 3.97Å; F45-L91 HydrophobicContact CD1-CD1 4.2Å; F45-L91 HydrophobicContact CG-CD1 4.26Å; Y46-L91 CarbonylContact O-C 3.4Å; Y46-L91 WeakPolarHBondContact O-CA 3.43Å; R47-L91 HydrophobicContact CG-CD2 3.84Å; L91-V111 HydrophobicContact CD1-CG1 4.1Å; L91-V111 HydrophobicContact CD1-CG2 4.07Å; L91-F130 HydrophobicContact CD1-CB 3.55Å; L91-F130 HydrophobicContact CD1-CD1 3.88Å; L91-F130 HydrophobicContact CD1-CD2 4.44Å; L91-F130 HydrophobicContact CD1-CG 3.72Å; L91-F130 HydrophobicContact CD2-CD1 4.26Å; L91-F130 HydrophobicContact CG-CB 4.04Å; L91-F130 HydrophobicContact CG-CD1 3.98Å; L91-F130 HydrophobicContact CG-CG 4.25Å; L91-F131 PolarHBondContact N-O 3Å; L91-Y132 VanDerWaalsContact O-CA 3.31Å; L91-Y132 WeakPolarHBondContact O-CA 3.45Å; L91-Y132 WeakPolarHBondContact O-CB 3.49Å
92F95.4Very high91.8Very high0 Ų047.5 Ų47.50%022%0.221CC..EExtended strand (participates in β ladder)trans-114.1120.6172.8-58-88.1000109.3F45 Y46 R48 I51 A59 S94 L134 L143F45-F92 WeakPolarHBondContact CA-O 3.37Å; Y46-F92 PolarHBondContact N-O 3.1Å; Y46-F92 WeakPolarHBondContact O-CD2 3.46Å; Y46-F92 PolarHBondContact O-N 3.24Å; R48-F92 HydrophobicContact CG-CE2 3.86Å; R48-F92 HydrophobicContact CG-CZ 4.32Å; I51-F92 HydrophobicContact CD1-CD1 4.33Å; I51-F92 HydrophobicContact CD1-CD2 3.76Å; I51-F92 HydrophobicContact CD1-CE1 4.01Å; I51-F92 HydrophobicContact CD1-CE2 3.43Å; I51-F92 VanDerWaalsContact CD1-CE2 3.43Å; I51-F92 HydrophobicContact CD1-CG 4.22Å; I51-F92 HydrophobicContact CD1-CZ 3.57Å; I51-F92 HydrophobicContact CG1-CD2 4.49Å; I51-F92 HydrophobicContact CG1-CE2 4.28Å; A59-F92 HydrophobicContact CB-CE1 3.81Å; A59-F92 HydrophobicContact CB-CZ 3.88Å; F92-S94 PolarHBondContact O-N 2.88Å; F92-L134 HydrophobicContact CD1-CB 3.88Å; F92-L134 HydrophobicContact CD1-CD1 4.49Å; F92-L134 HydrophobicContact CE1-CB 4.17Å; F92-L134 HydrophobicContact CE1-CD1 3.94Å; F92-L143 HydrophobicContact CD1-CD1 4.49Å; F92-L143 HydrophobicContact CD1-CD2 3.47Å; F92-L143 VanDerWaalsContact CD1-CD2 3.47Å; F92-L143 HydrophobicContact CE1-CD1 4.1Å; F92-L143 HydrophobicContact CE1-CD2 3.92Å; F92-L143 HydrophobicContact CG-CD2 4.26Å
93L94.8Very high92Very high21 Ų2148 Ų4811%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-70.3124.4177.6171.962.1000109.2V43 F45 Y132 L134 V135 Y136V43-L93 HydrophobicContact CG1-CD1 3.56Å; F45-L93 HydrophobicContact CD1-CB 4.45Å; F45-L93 HydrophobicContact CE1-CB 4.02Å; F45-L93 HydrophobicContact CE1-CD1 3.83Å; F45-L93 HydrophobicContact CE2-CD1 4.23Å; F45-L93 HydrophobicContact CZ-CD1 3.65Å; L93-Y132 HydrophobicContact CB-CD2 3.61Å; L93-Y132 HydrophobicContact CB-CE2 3.82Å; L93-Y132 HydrophobicContact CB-CG 4.2Å; L93-Y132 HydrophobicContact CD2-CD2 4.33Å; L93-Y132 HydrophobicContact CD2-CE2 3.64Å; L93-Y132 HydrophobicContact CG-CE2 4.36Å; L93-L134 PolarHBondContact N-O 2.79Å; L93-V135 CarbonylContact O-C 3.53Å; L93-V135 VanDerWaalsContact O-CA 3.28Å; L93-V135 WeakPolarHBondContact O-CA 3.44Å; L93-V135 WeakPolarHBondContact O-CG1 3.42Å; L93-Y136 PolarHBondContact O-N 3.13Å
94S93.6Very high92.3Very high0 Ų046 Ų460%022%0.221CC..EExtended strand (participates in β ladder)trans-108.3132.2168.6168.80000109.9V43 C44 F92 Q96 Y136 P138V43-S94 WeakPolarHBondContact CG1-O 3.3Å; C44-S94 WeakPolarHBondContact O-CB 3.4Å; C44-S94 PolarHBondContact O-N 3.29Å; F92-S94 PolarHBondContact O-N 2.88Å; S94-Q96 PolarHBondContact O-N 3.4Å; S94-Q96 VanDerWaalsContact O-N 3.14Å; S94-Q96 VanDerWaalsContact OG-CB 3.24Å; S94-Q96 WeakPolarHBondContact OG-CB 3.32Å; S94-Q96 PolarHBondContact OG-N 2.85Å; S94-Q96 VanDerWaalsContact OG-N 3.16Å; S94-Y136 WeakPolarHBondContact CA-O 3.16Å; S94-P138 WeakPolarHBondContact OG-CD 3.27Å; S94-P138 WeakPolarHBondContact OG-CG 3.25Å
95R85.8Confident92.6Very high171 Ų17144.8 Ų44.865%0.64522%0.215SC*.EExtended strand (participates in β ladder)trans-77.312.3174.2-61.3-175.3-179.3177.22.7112.8Y97 V135 D146R95-Y97 WeakPolarHBondContact O-CD2 3.14Å; R95-Y97 WeakPolarHBondContact O-CE2 3.16Å; R95-V135 HydrophobicContact CG-CG1 4.29Å; R95-D146 IonicContact NH2-OD1 3.69Å; R95-D146 PolarHBondContact NH2-OD1 2.71Å
96Q90.8Very high92.8Very high78 Ų7847.7 Ų47.736%0.36423%0.225SC..EExtended strand (participates in β ladder)trans-77.7141.1171.3-172.9174.5-1200110.3C44 S94 P138C44-Q96 PolarHBondContact N-O 3.26Å; C44-Q96 PolarHBondContact SG-O 2.68Å; S94-Q96 PolarHBondContact O-N 3.4Å; S94-Q96 VanDerWaalsContact O-N 3.14Å; S94-Q96 VanDerWaalsContact OG-CB 3.24Å; S94-Q96 WeakPolarHBondContact OG-CB 3.32Å; S94-Q96 PolarHBondContact OG-N 2.85Å; S94-Q96 VanDerWaalsContact OG-N 3.16Å; Q96-P138 HydrophobicContact CB-CG 4.19Å
97Y93.7Very high93Very high120 Ų12047.8 Ų47.847%0.47123%0.229SC..EExtended strand (participates in β ladder)trans-108.9142.3173.5-62.3-100.7000109.8E28 K41 V42 V43 R95E28-Y97 HydrophobicContact CB-CE1 4.27Å; E28-Y97 HydrophobicContact CG-CD1 4.12Å; E28-Y97 HydrophobicContact CG-CE1 3.72Å; K41-Y97 HydrophobicContact CG-CD1 4.29Å; V42-Y97 WeakPolarHBondContact O-CA 3.42Å; V43-Y97 HydrophobicContact CG2-CD1 3.79Å; V43-Y97 HydrophobicContact CG2-CE1 3.45Å; V43-Y97 VanDerWaalsContact CG2-CE1 3.45Å; R95-Y97 WeakPolarHBondContact O-CD2 3.14Å; R95-Y97 WeakPolarHBondContact O-CE2 3.16Å
98E94.5Very high93.2Very high53 Ų5346.5 Ų46.525%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-127.9146.3170.2-70.5177-145.500109.5R25 K41 V42R25-E98 IonicContact CZ-OE1 2.77Å; R25-E98 IonicContact CZ-OE2 2.62Å; R25-E98 VanDerWaalsContact CZ-OE2 3.29Å; R25-E98 IonicContact NH1-OE1 3.13Å; R25-E98 PolarHBondContact NH1-OE1 3.48Å; R25-E98 IonicContact NH1-OE2 2.86Å; R25-E98 PolarHBondContact NH1-OE2 3.36Å; R25-E98 VanDerWaalsContact NH2-CD 3.27Å; R25-E98 IonicContact NH2-OE1 2.65Å; R25-E98 PolarHBondContact NH2-OE1 2.62Å; R25-E98 IonicContact NH2-OE2 2.76Å; R25-E98 PolarHBondContact NH2-OE2 2.88Å; K41-E98 CarbonylContact C-O 3.48Å; K41-E98 WeakPolarHBondContact CA-O 3.42Å; V42-E98 HydrophobicContact CG2-CB 4.36Å; V42-E98 WeakPolarHBondContact CG2-O 3.39Å; V42-E98 PolarHBondContact N-O 3.36Å; V42-E98 PolarHBondContact O-N 2.86Å
99S94.8Very high93.4Very high73 Ų7345.7 Ų45.751%0.5122%0.221SC..EExtended strand (participates in β ladder)trans-107.4119170.9-67.30000108.8A40A40-S99 WeakPolarHBondContact O-CA 3.2Å
100L94.4Very high93.5Very high39 Ų3947.8 Ų47.820%0.20424%0.238CC..EExtended strand (participates in β ladder)trans-131.7152.4-178.1-65173.9000110.4F14 E39 A40 A102F14-L100 HydrophobicContact CD1-CB 4.27Å; F14-L100 HydrophobicContact CD1-CD1 3.86Å; F14-L100 HydrophobicContact CE1-CB 3.65Å; F14-L100 HydrophobicContact CE1-CD1 4.03Å; F14-L100 HydrophobicContact CZ-CB 4.45Å; E39-L100 WeakPolarHBondContact CA-O 3.37Å; A40-L100 PolarHBondContact N-O 3.09Å; A40-L100 PolarHBondContact O-N 3.39Å; L100-A102 PolarHBondContact O-N 3.33Å
101P94.8Very high93.6Very high50 Ų5047.5 Ų47.533%0.32524%0.237SC..EExtended strand (participates in β ladder)trans-55.8132.5174-2534.6000111.3T103 H104P101-T103 PolarHBondContact O-N 3.49Å; P101-T103 VanDerWaalsContact O-N 3.12Å; P101-H104 WeakPolarHBondContact O-CB 3.27Å; P101-H104 PolarHBondContact O-N 2.71Å; P101-H104 VanDerWaalsContact O-N 3.09Å
102A93.8Very high93.4Very high2 Ų249 Ų492%0.01725%0.249CC..G310 helixtrans-59.6-27.7179.400000111.6V38 L100 H104 I105 V337 I339V38-A102 HydrophobicContact CB-CB 4.08Å; V38-A102 HydrophobicContact CG1-CB 3.97Å; V38-A102 VanDerWaalsContact O-CB 3.3Å; V38-A102 WeakPolarHBondContact O-CB 3.19Å; V38-A102 PolarHBondContact O-N 2.8Å; L100-A102 PolarHBondContact O-N 3.33Å; A102-H104 PolarHBondContact O-N 3.05Å; A102-I105 HydrophobicContact CB-CD1 4.49Å; A102-I105 WeakPolarHBondContact O-CB 3.27Å; A102-I105 WeakPolarHBondContact O-CG1 3.44Å; A102-I105 PolarHBondContact O-N 3Å; A102-V337 HydrophobicContact CB-CG1 4.41Å; A102-I339 HydrophobicContact CB-CD1 4.26Å; A102-I339 WeakPolarHBondContact O-CD1 3.34Å
103T92.3Very high93.1Very high71 Ų7152.8 Ų52.844%0.43627%0.27SS..G310 helixtrans-58.6-15.8176.755.30000114.8P101 I105P101-T103 PolarHBondContact O-N 3.49Å; P101-T103 VanDerWaalsContact O-N 3.12Å; T103-I105 VanDerWaalsContact C-N 3.28Å
104H93.3Very high92.7Very high55 Ų5553.2 Ų53.226%0.25527%0.272SS..G310 helixtrans-77.4-10.9174.1-68.7178.3000113.5F14 E15 P101 A102 R106F14-H104 HydrophobicContact CD1-CB 3.49Å; F14-H104 VanDerWaalsContact CD1-CB 3.49Å; F14-H104 HydrophobicContact CE1-CB 3.71Å; E15-H104 PolarHBondContact N-O 3.02Å; P101-H104 WeakPolarHBondContact O-CB 3.27Å; P101-H104 PolarHBondContact O-N 2.71Å; P101-H104 VanDerWaalsContact O-N 3.09Å; A102-H104 PolarHBondContact O-N 3.05Å; H104-R106 PolarHBondContact O-N 2.98Å
105I94.5Very high91.8Very high3 Ų356.9 Ų56.92%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-72.9128.5177.4-61164.7000109.6Y6 V12 Y13 F14 I27 A102 T103 I339Y6-I105 HydrophobicContact CD1-CG2 3.61Å; Y6-I105 HydrophobicContact CD2-CG2 4.32Å; Y6-I105 HydrophobicContact CE1-CG2 3.25Å; Y6-I105 HydrophobicContact CE2-CG2 4.04Å; Y6-I105 HydrophobicContact CG-CG2 4.11Å; Y6-I105 VanDerWaalsContact CZ-CG2 3.48Å; V12-I105 HydrophobicContact CB-CG2 3.91Å; V12-I105 HydrophobicContact CG1-CG2 3.97Å; V12-I105 HydrophobicContact CG2-CG1 4.31Å; Y13-I105 WeakPolarHBondContact O-CA 3.26Å; F14-I105 HydrophobicContact CD2-CG1 3.97Å; F14-I105 HydrophobicContact CE1-CG1 4.12Å; F14-I105 HydrophobicContact CE2-CD1 3.96Å; F14-I105 HydrophobicContact CE2-CG1 3.35Å; F14-I105 HydrophobicContact CZ-CD1 3.94Å; F14-I105 HydrophobicContact CZ-CG1 3.43Å; F14-I105 VanDerWaalsContact CZ-CG1 3.43Å; I27-I105 HydrophobicContact CD1-CD1 3.96Å; A102-I105 HydrophobicContact CB-CD1 4.49Å; A102-I105 WeakPolarHBondContact O-CB 3.27Å; A102-I105 WeakPolarHBondContact O-CG1 3.44Å; A102-I105 PolarHBondContact O-N 3Å; T103-I105 VanDerWaalsContact C-N 3.28Å; I105-I339 HydrophobicContact CB-CD1 3.69Å; I105-I339 HydrophobicContact CD1-CD1 3.82Å; I105-I339 HydrophobicContact CG1-CD1 4.23Å; I105-I339 HydrophobicContact CG2-CD1 4.31Å
106R92.4Very high90.8Very high86 Ų8655.8 Ų55.833%0.32529%0.294SS..EExtended strand (participates in β ladder)trans-113.3-16-177.8-60.1-53.3-169.4-164.2-2114.4Y13 E15 Y22 H104 Y342Y13-R106 PolarHBondContact O-N 2.89Å; E15-R106 HydrophobicContact CB-CG 3.68Å; E15-R106 IonicContact OE2-CZ 2.68Å; E15-R106 IonicContact OE2-NE 2.8Å; E15-R106 PolarHBondContact OE2-NE 3.3Å; E15-R106 IonicContact OE2-NH2 3.21Å; E15-R106 PolarHBondContact OE2-NH2 3.46Å; Y22-R106 HydrophobicContact CD1-CG 4.33Å; Y22-R106 HydrophobicContact CE1-CB 4.03Å; Y22-R106 HydrophobicContact CE1-CG 3.77Å; H104-R106 PolarHBondContact O-N 2.98Å; R106-Y342 VanDerWaalsContact NH1-CB 3.31Å
107G93.2Very high89.3Confident16 Ų1657.9 Ų57.917%0.16531%0.312CS..EExtended strand (participates in β ladder)trans177.4170.2-179.500000112.1Y6 V12 Y13Y6-G107 WeakPolarHBondContact OH-CA 3.48Å; Y6-G107 PolarHBondContact OH-N 3.32Å; V12-G107 WeakPolarHBondContact CA-O 3.49Å; Y13-G107 PolarHBondContact N-O 3.27Å
108K94.7Very high88.2Confident80 Ų8056.2 Ų56.235%0.34831%0.308SS..EExtended strand (participates in β ladder)trans-94.7155174-61.7-167.5-174.3-166.70111M5 Y6 D10 Y11 V12M5-K108 WeakPolarHBondContact O-CE 3.46Å; M5-K108 PolarHBondContact O-NZ 3.02Å; Y6-K108 HydrophobicContact CD1-CD 4.4Å; Y6-K108 HydrophobicContact CD1-CG 3.78Å; Y6-K108 HydrophobicContact CE1-CG 3.6Å; D10-K108 IonicContact OD1-NZ 3.08Å; D10-K108 WeakPolarHBondContact OD2-CE 3.43Å; D10-K108 IonicContact OD2-NZ 3.58Å; D10-K108 PolarHBondContact OD2-NZ 2.89Å; Y11-K108 WeakPolarHBondContact O-CA 3.25Å; V12-K108 HydrophobicContact CG1-CG 4.48Å
109C95.2Very high87.4Confident16 Ų1657.1 Ų57.111%0.10832%0.321CS..EExtended strand (participates in β ladder)trans-140.5176.5169.658.90000109.2Y11 Y13 D128 F130Y11-C109 VanDerWaalsContact C-SG 3.57Å; Y11-C109 WeakPolarHBondContact CB-O 3.44Å; Y11-C109 PolarHBondContact O-N 3.18Å; Y13-C109 HydrophobicContact CD2-CB 4.49Å; Y13-C109 HydrophobicContact CE1-CB 3.99Å; Y13-C109 HydrophobicContact CE2-CB 3.96Å; C109-D128 CarbonylContact C-O 3.45Å; C109-D128 VanDerWaalsContact CA-O 3.32Å; C109-D128 WeakPolarHBondContact CA-O 3.2Å; C109-D128 HydrophobicContact CB-CB 4.24Å; C109-D128 VanDerWaalsContact CB-O 3.25Å; C109-D128 WeakPolarHBondContact CB-O 3.37Å; C109-F130 HydrophobicContact CB-CD2 4.23Å; C109-F130 HydrophobicContact CB-CE2 3.98Å
110S94.8Very high86.7Confident58 Ų5856.1 Ų56.141%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-119.9134.6172.8-1770000108.8D128 T129 F130S110-D128 PolarHBondContact N-O 2.79Å; S110-T129 CarbonylContact O-C 3.5Å; S110-T129 WeakPolarHBondContact O-CA 3.47Å; S110-F130 PolarHBondContact O-N 3.28Å
111V94.3Very high86.2Confident5 Ų556.1 Ų56.13%0.0331%0.311CS..EExtended strand (participates in β ladder)trans-132.2121.3174.6-170.50000107.7Y11 I24 F45 L91 F130 Y132Y11-V111 HydrophobicContact CD1-CB 3.57Å; Y11-V111 HydrophobicContact CD1-CG2 3.48Å; Y11-V111 VanDerWaalsContact CD1-CG2 3.48Å; Y11-V111 HydrophobicContact CD2-CB 4.44Å; Y11-V111 HydrophobicContact CE1-CB 3.66Å; Y11-V111 HydrophobicContact CE1-CG1 4.45Å; Y11-V111 HydrophobicContact CE1-CG2 4.1Å; Y11-V111 WeakPolarHBondContact CE2-O 3.42Å; Y11-V111 HydrophobicContact CG-CB 3.97Å; Y11-V111 HydrophobicContact CG-CG2 3.78Å; Y11-V111 PolarHBondContact OH-O 2.89Å; I24-V111 HydrophobicContact CG2-CG2 3.76Å; F45-V111 HydrophobicContact CD1-CG1 4.17Å; F45-V111 HydrophobicContact CE1-CG1 3.76Å; F45-V111 HydrophobicContact CZ-CG1 4.19Å; L91-V111 HydrophobicContact CD1-CG1 4.1Å; L91-V111 HydrophobicContact CD1-CG2 4.07Å; V111-F130 WeakPolarHBondContact CA-O 3.19Å; V111-F130 HydrophobicContact CB-CB 4.5Å; V111-F130 HydrophobicContact CG1-CB 4.26Å; V111-F130 HydrophobicContact CG2-CB 4.14Å; V111-F130 HydrophobicContact CG2-CD2 4.46Å; V111-Y132 HydrophobicContact CG1-CD1 3.96Å
112A90.9Very high85.7Confident31 Ų3155.9 Ų55.926%0.25631%0.311SS..EExtended strand (participates in β ladder)trans-115155.9177.800000111.5Y123 F130 F131 Y132A112-Y123 HydrophobicContact CB-CE1 4.16Å; A112-F130 PolarHBondContact N-O 3.31Å; A112-F130 VanDerWaalsContact N-O 3.08Å; A112-F131 CarbonylContact O-C 3.51Å; A112-F131 WeakPolarHBondContact O-CA 3.46Å; A112-Y132 VanDerWaalsContact O-CD1 3.27Å; A112-Y132 WeakPolarHBondContact O-CD1 3.4Å; A112-Y132 PolarHBondContact O-N 3.3Å
113L89.4Confident85.4Confident81 Ų8156.1 Ų56.142%0.42431%0.311SS..EExtended strand (participates in β ladder)trans-72.4130.9165.8178.170.1000107.4N115 Y132L113-N115 PolarHBondContact O-N 2.62Å; L113-Y132 WeakPolarHBondContact CA-O 3.4Å; L113-Y132 HydrophobicContact CB-CE1 4.02Å; L113-Y132 HydrophobicContact CD1-CD2 4.04Å; L113-Y132 HydrophobicContact CD1-CE1 4.44Å; L113-Y132 HydrophobicContact CD1-CE2 3.55Å
114L85.6Confident85.1Confident30 Ų3054 Ų5416%0.15730%0.297CS..  trans-64109.4176.3-176.864.5000109.4V120 Y123 F131 Y132L114-V120 HydrophobicContact CD1-CG2 4.25Å; L114-Y123 HydrophobicContact CD1-CE2 4Å; L114-F131 HydrophobicContact CB-CD2 3.99Å; L114-F131 HydrophobicContact CD1-CD2 4.33Å; L114-F131 HydrophobicContact CD2-CD2 4.14Å; L114-F131 HydrophobicContact CD2-CE2 4.13Å; L114-F131 HydrophobicContact CG-CD2 4.39Å; L114-Y132 PolarHBondContact N-O 2.97Å
115N74.3Confident84.8Confident77 Ų7757.7 Ų57.741%0.41232%0.319SS..  trans-84.3141.6175.8-172.7-1.8000109.6L113 T117 E118L113-N115 PolarHBondContact O-N 2.62Å; N115-T117 VanDerWaalsContact CG-OG1 3.27Å; N115-T117 PolarHBondContact ND2-OG1 3.47Å; N115-T117 PolarHBondContact O-N 3.29Å; N115-T117 PolarHBondContact OD1-N 3Å; N115-T117 PolarHBondContact OD1-OG1 3.28Å; N115-E118 HydrophobicContact CB-CB 4.25Å; N115-E118 HydrophobicContact CB-CG 3.92Å; N115-E118 PolarHBondContact O-N 3.05Å
116E64.4Low84.5Confident148 Ų14864.1 Ų64.169%0.69235%0.347SS*.THydrogen-bonded Turntrans-62.4-22.6179.9-67.9168.9-171.900112.6K147E116-K147 WeakPolarHBondContact OE1-CE 3.47Å; E116-K147 IonicContact OE1-NZ 3.03Å; E116-K147 PolarHBondContact OE1-NZ 3.14Å
117T61.1Low84.3Confident121 Ų12167.3 Ų67.374%0.74237%0.365SS*.THydrogen-bonded Turntrans-95.1-8.2-178.652.40000113.9N115N115-T117 VanDerWaalsContact CG-OG1 3.27Å; N115-T117 PolarHBondContact ND2-OG1 3.47Å; N115-T117 PolarHBondContact O-N 3.29Å; N115-T117 PolarHBondContact OD1-N 3Å; N115-T117 PolarHBondContact OD1-OG1 3.28Å
118E70.3Confident84.2Confident85 Ų8568.3 Ų68.340%0.39737%0.367SS..SBendtrans-92.8131.4-179-74.5-179.7-176.800111.4N115 V120 Y123N115-E118 HydrophobicContact CB-CB 4.25Å; N115-E118 HydrophobicContact CB-CG 3.92Å; N115-E118 PolarHBondContact O-N 3.05Å; E118-V120 PolarHBondContact O-N 3.4Å; E118-Y123 PolarHBondContact OE2-OH 2.89Å
119S77.9Confident84.1Confident73 Ų7365.3 Ų65.351%0.5136%0.355SS..  trans-65.8127.4172.7-178.80000110.8L121 S122S119-L121 PolarHBondContact O-N 3.12Å; S119-L121 PolarHBondContact OG-N 3.43Å; S119-S122 PolarHBondContact O-N 3.04Å; S119-S122 PolarHBondContact O-OG 2.83Å
120V79.6Confident84.1Confident51 Ų5164.5 Ų64.531%0.30935%0.35SS..THydrogen-bonded Turntrans-58.4-25.4177.1-174.60000111.9L86 L114 E118 S122 Y123 F131L86-V120 HydrophobicContact CD1-CG1 3.64Å; L86-V120 HydrophobicContact CD2-CG1 3.55Å; L86-V120 WeakPolarHBondContact CD2-O 3.47Å; L86-V120 HydrophobicContact CG-CG1 4.13Å; L114-V120 HydrophobicContact CD1-CG2 4.25Å; E118-V120 PolarHBondContact O-N 3.4Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.28Å; V120-Y123 WeakPolarHBondContact O-CD2 3.31Å; V120-Y123 PolarHBondContact O-N 3.22Å; V120-F131 HydrophobicContact CG1-CE1 4.45Å
121L83.4Confident84Confident39 Ų3962.4 Ų62.420%0.20433%0.334CS..THydrogen-bonded Turntrans-63.7-31.2176.5-78.9172.9000113.8A76 L78 S119 Y123 L124 D125A76-L121 HydrophobicContact CB-CD1 3.81Å; L78-L121 HydrophobicContact CD2-CD1 4.05Å; L78-L121 HydrophobicContact CD2-CD2 3.23Å; L78-L121 HydrophobicContact CD2-CG 3.62Å; S119-L121 PolarHBondContact O-N 3.12Å; S119-L121 PolarHBondContact OG-N 3.43Å; L121-Y123 PolarHBondContact O-N 3.07Å; L121-L124 HydrophobicContact CD2-CD1 4.23Å; L121-L124 WeakPolarHBondContact O-CB 3.48Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-D125 PolarHBondContact O-N 3.2Å
122S85.3Confident83.9Confident46 Ų4663.4 Ų63.432%0.32234%0.337SS..Hα-helixtrans-62.1-20.6-178.366.40000112.9S119 V120S119-S122 PolarHBondContact O-N 3.04Å; S119-S122 PolarHBondContact O-OG 2.83Å; V120-S122 VanDerWaalsContact C-N 3.32Å; V120-S122 PolarHBondContact O-N 3.28Å
123Y85.7Confident83.9Confident6 Ų662.6 Ų62.62%0.02433%0.33CS..Hα-helixtrans-75.5-22.5174.9-66.2-86.5000113.1R89 A112 L114 E118 V120 L121 T129 F131R89-Y123 VanDerWaalsContact CZ-O 3.3Å; R89-Y123 PolarHBondContact NH1-O 3.41Å; A112-Y123 HydrophobicContact CB-CE1 4.16Å; L114-Y123 HydrophobicContact CD1-CE2 4Å; E118-Y123 PolarHBondContact OE2-OH 2.89Å; V120-Y123 WeakPolarHBondContact O-CD2 3.31Å; V120-Y123 PolarHBondContact O-N 3.22Å; L121-Y123 PolarHBondContact O-N 3.07Å; Y123-T129 HydrophobicContact CD1-CG2 3.81Å; Y123-T129 HydrophobicContact CE1-CG2 4.34Å; Y123-F131 HydrophobicContact CD1-CB 3.87Å; Y123-F131 HydrophobicContact CD1-CD1 4.04Å; Y123-F131 HydrophobicContact CD1-CG 4.42Å; Y123-F131 HydrophobicContact CD2-CD1 4.32Å; Y123-F131 HydrophobicContact CE1-CB 3.54Å; Y123-F131 HydrophobicContact CE1-CG 4.44Å; Y123-F131 HydrophobicContact CE2-CB 4.44Å; Y123-F131 HydrophobicContact CG-CB 4.46Å; Y123-F131 AromaticContact CG-CD1 3.95Å; Y123-F131 HydrophobicContact CG-CD1 3.95Å
124L86.8Confident83.9Confident28 Ų2859 Ų5915%0.14731%0.311CS..Hα-helixtrans-83.6-33173.4-65.8-176000112.4Q82 Q85 L86 R89 L121 K126Q82-L124 HydrophobicContact CB-CD1 3.82Å; Q82-L124 HydrophobicContact CG-CD1 3.84Å; Q85-L124 HydrophobicContact CB-CD2 3.83Å; L86-L124 HydrophobicContact CD1-CD1 4.42Å; L86-L124 HydrophobicContact CD2-CD1 4.17Å; L86-L124 HydrophobicContact CD2-CD2 3.8Å; L86-L124 HydrophobicContact CD2-CG 3.65Å; L86-L124 HydrophobicContact CG-CD1 3.94Å; L86-L124 HydrophobicContact CG-CD2 4.03Å; L86-L124 HydrophobicContact CG-CG 3.96Å; R89-L124 HydrophobicContact CG-CD2 4.09Å; L121-L124 HydrophobicContact CD2-CD1 4.23Å; L121-L124 WeakPolarHBondContact O-CB 3.48Å; L121-L124 PolarHBondContact O-N 3.39Å; L124-K126 PolarHBondContact O-N 3.08Å
125D86.8Confident84.3Confident131 Ų13158.3 Ų58.370%0.70131%0.308SS*.Hα-helixtrans-64-26.5-177.5-63.9-24.2000112.9L121L121-D125 PolarHBondContact O-N 3.2Å
126K87.8Confident85.3Confident139 Ų13955.5 Ų55.560%0.60429%0.291SS*.SBendtrans-105.4132.7177.4-63.3177.4-174.7171.50110.9R89 L124 T129R89-K126 PolarHBondContact NH1-O 3.41Å; R89-K126 PolarHBondContact NH2-O 2.77Å; L124-K126 PolarHBondContact O-N 3.08Å; K126-T129 VanDerWaalsContact CB-OG1 3.22Å; K126-T129 WeakPolarHBondContact CB-OG1 3.41Å
127E87.9Confident86.6Confident152 Ų15251 Ų5171%0.7127%0.272SS*.THydrogen-bonded Turntrans-65.7158.9165.5-64.3-164175.100110.4T129E127-T129 PolarHBondContact O-N 3.24Å; E127-T129 PolarHBondContact O-OG1 3.27Å
128D91.9Very high88Confident37 Ų3746.6 Ų46.620%0.19825%0.245CC..THydrogen-bonded Turntrans54.523.2175.5-61.2-38.7000116Y13 C109 S110 K412 Y413Y13-D128 HydrophobicContact CE2-CB 4.36Å; Y13-D128 VanDerWaalsContact CE2-OD1 3.27Å; Y13-D128 WeakPolarHBondContact CE2-OD1 3.38Å; Y13-D128 PolarHBondContact OH-OD1 2.85Å; C109-D128 CarbonylContact C-O 3.45Å; C109-D128 VanDerWaalsContact CA-O 3.32Å; C109-D128 WeakPolarHBondContact CA-O 3.2Å; C109-D128 HydrophobicContact CB-CB 4.24Å; C109-D128 VanDerWaalsContact CB-O 3.25Å; C109-D128 WeakPolarHBondContact CB-O 3.37Å; S110-D128 PolarHBondContact N-O 2.79Å; D128-K412 WeakPolarHBondContact OD1-CD 3.33Å; D128-K412 WeakPolarHBondContact OD1-CE 3.44Å; D128-K412 IonicContact OD1-NZ 3.28Å; D128-K412 PolarHBondContact OD1-NZ 2.94Å; D128-K412 IonicContact OD2-NZ 2.68Å; D128-K412 PolarHBondContact OD2-NZ 3.39Å; D128-Y413 PolarHBondContact N-OH 3.29Å
129T93.4Very high89Confident17 Ų1747.6 Ų47.610%0.10426%0.262CS..EExtended strand (participates in β ladder)trans-111.5132.5-178.7-51.20000110.7R89 S110 Y123 K126 E127R89-T129 WeakPolarHBondContact CD-O 3.5Å; R89-T129 PolarHBondContact NH1-O 2.85Å; S110-T129 CarbonylContact O-C 3.5Å; S110-T129 WeakPolarHBondContact O-CA 3.47Å; Y123-T129 HydrophobicContact CD1-CG2 3.81Å; Y123-T129 HydrophobicContact CE1-CG2 4.34Å; K126-T129 VanDerWaalsContact CB-OG1 3.22Å; K126-T129 WeakPolarHBondContact CB-OG1 3.41Å; E127-T129 PolarHBondContact O-N 3.24Å; E127-T129 PolarHBondContact O-OG1 3.27Å
130F94.9Very high89.6Confident0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-131166-178.6-60.3-94.3000110Y13 I24 R89 L91 C109 S110 V111 A112 Y413Y13-F130 AromaticContact CE1-CE2 3.71Å; Y13-F130 HydrophobicContact CE1-CE2 3.71Å; Y13-F130 AromaticContact CE1-CZ 3.83Å; Y13-F130 HydrophobicContact CE1-CZ 3.83Å; Y13-F130 AromaticContact CZ-CE2 3.84Å; Y13-F130 VanDerWaalsContact OH-CE2 3.25Å; Y13-F130 WeakPolarHBondContact OH-CE2 3.46Å; Y13-F130 WeakPolarHBondContact OH-CZ 3.49Å; I24-F130 HydrophobicContact CD1-CE1 4.44Å; I24-F130 HydrophobicContact CD1-CZ 4.48Å; I24-F130 HydrophobicContact CG1-CE2 4.35Å; I24-F130 HydrophobicContact CG1-CZ 4.33Å; R89-F130 VanDerWaalsContact O-CA 3.27Å; R89-F130 WeakPolarHBondContact O-CA 3.45Å; R89-F130 VanDerWaalsContact O-CB 3.26Å; R89-F130 WeakPolarHBondContact O-CB 3.35Å; R89-F130 WeakPolarHBondContact O-CD1 3.18Å; L91-F130 HydrophobicContact CD1-CB 3.55Å; L91-F130 HydrophobicContact CD1-CD1 3.88Å; L91-F130 HydrophobicContact CD1-CD2 4.44Å; L91-F130 HydrophobicContact CD1-CG 3.72Å; L91-F130 HydrophobicContact CD2-CD1 4.26Å; L91-F130 HydrophobicContact CG-CB 4.04Å; L91-F130 HydrophobicContact CG-CD1 3.98Å; L91-F130 HydrophobicContact CG-CG 4.25Å; C109-F130 HydrophobicContact CB-CD2 4.23Å; C109-F130 HydrophobicContact CB-CE2 3.98Å; S110-F130 PolarHBondContact O-N 3.28Å; V111-F130 WeakPolarHBondContact CA-O 3.19Å; V111-F130 HydrophobicContact CB-CB 4.5Å; V111-F130 HydrophobicContact CG1-CB 4.26Å; V111-F130 HydrophobicContact CG2-CB 4.14Å; V111-F130 HydrophobicContact CG2-CD2 4.46Å; A112-F130 PolarHBondContact N-O 3.31Å; A112-F130 VanDerWaalsContact N-O 3.08Å; F130-Y413 AromaticContact CE1-CD1 3.56Å; F130-Y413 HydrophobicContact CE1-CD1 3.56Å; F130-Y413 AromaticContact CE1-CE1 3.83Å; F130-Y413 HydrophobicContact CE1-CE1 3.83Å; F130-Y413 HydrophobicContact CE2-CE1 4.34Å; F130-Y413 AromaticContact CZ-CD1 3.64Å; F130-Y413 HydrophobicContact CZ-CD1 3.64Å; F130-Y413 AromaticContact CZ-CE1 3.59Å; F130-Y413 HydrophobicContact CZ-CE1 3.59Å
131F93.2Very high90.2Very high14 Ų1454.2 Ų54.26%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-136.4161.217267.2-88000111.7L86 R89 E90 L91 A112 L114 V120 Y123L86-F131 HydrophobicContact CD2-CE1 4.31Å; R89-F131 HydrophobicContact CB-CD1 4.17Å; R89-F131 HydrophobicContact CB-CE1 4.01Å; R89-F131 PolarHBondContact O-N 2.84Å; E90-F131 CarbonylContact C-O 3.51Å; E90-F131 WeakPolarHBondContact CA-O 3.44Å; E90-F131 HydrophobicContact CB-CE1 4.37Å; E90-F131 HydrophobicContact CB-CE2 3.98Å; E90-F131 HydrophobicContact CB-CZ 3.8Å; E90-F131 HydrophobicContact CG-CE2 3.88Å; E90-F131 HydrophobicContact CG-CZ 4.2Å; L91-F131 PolarHBondContact N-O 3Å; A112-F131 CarbonylContact O-C 3.51Å; A112-F131 WeakPolarHBondContact O-CA 3.46Å; L114-F131 HydrophobicContact CB-CD2 3.99Å; L114-F131 HydrophobicContact CD1-CD2 4.33Å; L114-F131 HydrophobicContact CD2-CD2 4.14Å; L114-F131 HydrophobicContact CD2-CE2 4.13Å; L114-F131 HydrophobicContact CG-CD2 4.39Å; V120-F131 HydrophobicContact CG1-CE1 4.45Å; Y123-F131 HydrophobicContact CD1-CB 3.87Å; Y123-F131 HydrophobicContact CD1-CD1 4.04Å; Y123-F131 HydrophobicContact CD1-CG 4.42Å; Y123-F131 HydrophobicContact CD2-CD1 4.32Å; Y123-F131 HydrophobicContact CE1-CB 3.54Å; Y123-F131 HydrophobicContact CE1-CG 4.44Å; Y123-F131 HydrophobicContact CE2-CB 4.44Å; Y123-F131 HydrophobicContact CG-CB 4.46Å; Y123-F131 AromaticContact CG-CD1 3.95Å; Y123-F131 HydrophobicContact CG-CD1 3.95Å
132Y92.3Very high90.5Very high25 Ų2555 Ų5510%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-137.3149.6167.873-77.3000109.9F45 L91 L93 V111 A112 L113 L114F45-Y132 AromaticContact CE1-CD1 3.96Å; F45-Y132 HydrophobicContact CE1-CD1 3.96Å; F45-Y132 HydrophobicContact CE1-CE1 4.36Å; F45-Y132 HydrophobicContact CE1-CG 4.27Å; L91-Y132 VanDerWaalsContact O-CA 3.31Å; L91-Y132 WeakPolarHBondContact O-CA 3.45Å; L91-Y132 WeakPolarHBondContact O-CB 3.49Å; L93-Y132 HydrophobicContact CB-CD2 3.61Å; L93-Y132 HydrophobicContact CB-CE2 3.82Å; L93-Y132 HydrophobicContact CB-CG 4.2Å; L93-Y132 HydrophobicContact CD2-CD2 4.33Å; L93-Y132 HydrophobicContact CD2-CE2 3.64Å; L93-Y132 HydrophobicContact CG-CE2 4.36Å; V111-Y132 HydrophobicContact CG1-CD1 3.96Å; A112-Y132 VanDerWaalsContact O-CD1 3.27Å; A112-Y132 WeakPolarHBondContact O-CD1 3.4Å; A112-Y132 PolarHBondContact O-N 3.3Å; L113-Y132 WeakPolarHBondContact CA-O 3.4Å; L113-Y132 HydrophobicContact CB-CE1 4.02Å; L113-Y132 HydrophobicContact CD1-CD2 4.04Å; L113-Y132 HydrophobicContact CD1-CE1 4.44Å; L113-Y132 HydrophobicContact CD1-CE2 3.55Å; L114-Y132 PolarHBondContact N-O 2.97Å
133S89.1Confident90.8Very high15 Ų1553.6 Ų53.611%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-127.3-14173.955.80000112.3
134L91.3Very high90.8Very high6 Ų658.7 Ų58.73%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-126.4144.4-173-65.6175000110.9A59 F92 L93 L143 L144 A145A59-L134 HydrophobicContact CB-CD1 3.74Å; F92-L134 HydrophobicContact CD1-CB 3.88Å; F92-L134 HydrophobicContact CD1-CD1 4.49Å; F92-L134 HydrophobicContact CE1-CB 4.17Å; F92-L134 HydrophobicContact CE1-CD1 3.94Å; L93-L134 PolarHBondContact N-O 2.79Å; L134-L143 HydrophobicContact CB-CD2 4.36Å; L134-L143 HydrophobicContact CD1-CD1 4.32Å; L134-L144 WeakPolarHBondContact CA-O 3.33Å; L134-A145 HydrophobicContact CD2-CB 4.27Å
135V93.2Very high90.5Very high15 Ų1559.5 Ų59.59%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-97124171.6-175.70000108.6L93 R95 L143 L144 D146L93-V135 CarbonylContact O-C 3.53Å; L93-V135 VanDerWaalsContact O-CA 3.28Å; L93-V135 WeakPolarHBondContact O-CA 3.44Å; L93-V135 WeakPolarHBondContact O-CG1 3.42Å; R95-V135 HydrophobicContact CG-CG1 4.29Å; V135-L143 WeakPolarHBondContact O-CA 3.37Å; V135-L144 PolarHBondContact N-O 2.77Å; V135-L144 PolarHBondContact O-N 3.01Å; V135-D146 HydrophobicContact CG2-CB 3.77Å
136Y94.9Very high89.6Confident17 Ų1755.7 Ų55.77%0.06730%0.295CS..EExtended strand (participates in β ladder)trans-99.2124.2175174.2-124.3000110.8Y46 I51 L55 L93 S94 P138 T142 L143Y46-Y136 HydrophobicContact CD1-CD1 4.14Å; Y46-Y136 AromaticContact CD1-CE1 3.92Å; Y46-Y136 HydrophobicContact CD1-CE1 3.92Å; Y46-Y136 AromaticContact CD2-CD1 3.83Å; Y46-Y136 HydrophobicContact CD2-CD1 3.83Å; Y46-Y136 HydrophobicContact CD2-CE1 4.34Å; Y46-Y136 HydrophobicContact CE1-CE1 4.12Å; Y46-Y136 HydrophobicContact CE2-CD1 4.28Å; Y46-Y136 AromaticContact CG-CD1 3.77Å; Y46-Y136 HydrophobicContact CG-CD1 3.77Å; Y46-Y136 HydrophobicContact CG-CE1 4.04Å; I51-Y136 HydrophobicContact CG2-CD1 3.75Å; I51-Y136 HydrophobicContact CG2-CD2 4.01Å; I51-Y136 HydrophobicContact CG2-CE1 3.61Å; I51-Y136 HydrophobicContact CG2-CE2 3.9Å; I51-Y136 HydrophobicContact CG2-CG 3.95Å; L55-Y136 HydrophobicContact CD1-CD2 4.12Å; L55-Y136 HydrophobicContact CD1-CE2 3.58Å; L93-Y136 PolarHBondContact O-N 3.13Å; S94-Y136 WeakPolarHBondContact CA-O 3.16Å; Y136-P138 HydrophobicContact CD1-CB 4.35Å; Y136-P138 HydrophobicContact CE1-CB 3.72Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.2Å; Y136-T142 WeakPolarHBondContact CD2-O 3.5Å; Y136-L143 HydrophobicContact CD2-CD2 4.01Å; Y136-L143 HydrophobicContact CG-CD2 4.32Å
137D92.1Very high88.6Confident54 Ų5453 Ų5329%0.28928%0.284SS..EExtended strand (participates in β ladder)trans-93.3106.9167.6-172.3-32.8000109.4S139 L140 K141 T142D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 3.01Å; D137-S139 WeakPolarHBondContact OD1-CA 3.38Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 2.76Å; D137-L140 HydrophobicContact CB-CB 4.18Å; D137-L140 PolarHBondContact OD1-N 2.66Å; D137-L140 WeakPolarHBondContact OD2-CD1 3.42Å; D137-L140 WeakPolarHBondContact OD2-CG 3.43Å; D137-K141 WeakPolarHBondContact O-CA 3.33Å; D137-K141 PolarHBondContact O-N 2.97Å; D137-T142 PolarHBondContact N-O 2.64Å; D137-T142 PolarHBondContact O-N 3.08Å
138P90.8Very high87.3Confident28 Ų2849.4 Ų49.418%0.18229%0.287CS..THydrogen-bonded Turntrans-69.6-22.7179.825-31.8000113.7S94 Q96 Y136S94-P138 WeakPolarHBondContact OG-CD 3.27Å; S94-P138 WeakPolarHBondContact OG-CG 3.25Å; Q96-P138 HydrophobicContact CB-CG 4.19Å; Y136-P138 HydrophobicContact CD1-CB 4.35Å; Y136-P138 HydrophobicContact CE1-CB 3.72Å; Y136-P138 VanDerWaalsContact O-CD 3.26Å; Y136-P138 WeakPolarHBondContact O-CD 3.2Å
139S90.9Very high86.1Confident106 Ų10655.7 Ų55.774%0.74132%0.315SS*.THydrogen-bonded Turntrans-78.4-46.5179.4-560000110.9D137D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 3.01Å; D137-S139 WeakPolarHBondContact OD1-CA 3.38Å; D137-S139 VanDerWaalsContact OD1-CB 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.4Å; D137-S139 PolarHBondContact OD1-N 2.76Å
140L90.2Very high85.6Confident124 Ų12462 Ų6265%0.64935%0.347SS*.THydrogen-bonded Turntrans-86.7-16.6179.7-61-177.5000113.1D137 T142D137-L140 HydrophobicContact CB-CB 4.18Å; D137-L140 PolarHBondContact OD1-N 2.66Å; D137-L140 WeakPolarHBondContact OD2-CD1 3.42Å; D137-L140 WeakPolarHBondContact OD2-CG 3.43Å; L140-T142 HydrophobicContact CB-CG2 4.11Å
141K92.1Very high85Confident140 Ų14069.2 Ų69.261%0.60937%0.374SS*.THydrogen-bonded Turntrans55.349.9-172.7-55.7-176.8179.2-175.10111.6L55 D137L55-K141 HydrophobicContact CD1-CB 4.47Å; L55-K141 WeakPolarHBondContact CD2-O 3.4Å; D137-K141 WeakPolarHBondContact O-CA 3.33Å; D137-K141 PolarHBondContact O-N 2.97Å
142T90.8Very high84.7Confident55 Ų5574.4 Ų74.434%0.33741%0.407SS..EExtended strand (participates in β ladder)trans-121153.3179.352.80000110.9Y136 D137 L140Y136-T142 WeakPolarHBondContact CD2-O 3.5Å; D137-T142 PolarHBondContact N-O 2.64Å; D137-T142 PolarHBondContact O-N 3.08Å; L140-T142 HydrophobicContact CB-CG2 4.11Å
143L90.4Very high84.5Confident17 Ų1774.1 Ų74.19%0.08941%0.411CS..EExtended strand (participates in β ladder)trans-112.5136.4168.7-71.1173.1000108.7I51 L55 L58 A59 F92 L134 V135 Y136I51-L143 HydrophobicContact CD1-CD1 4.39Å; L55-L143 HydrophobicContact CB-CD1 3.78Å; L55-L143 HydrophobicContact CB-CG 4.23Å; L55-L143 HydrophobicContact CD2-CD1 4.33Å; L55-L143 HydrophobicContact CD2-CG 4.14Å; L55-L143 WeakPolarHBondContact O-CD1 3.45Å; L58-L143 HydrophobicContact CD2-CB 4.26Å; A59-L143 HydrophobicContact CB-CD1 4.05Å; F92-L143 HydrophobicContact CD1-CD1 4.49Å; F92-L143 HydrophobicContact CD1-CD2 3.47Å; F92-L143 VanDerWaalsContact CD1-CD2 3.47Å; F92-L143 HydrophobicContact CE1-CD1 4.1Å; F92-L143 HydrophobicContact CE1-CD2 3.92Å; F92-L143 HydrophobicContact CG-CD2 4.26Å; L134-L143 HydrophobicContact CB-CD2 4.36Å; L134-L143 HydrophobicContact CD1-CD1 4.32Å; V135-L143 WeakPolarHBondContact O-CA 3.37Å; Y136-L143 HydrophobicContact CD2-CD2 4.01Å; Y136-L143 HydrophobicContact CG-CD2 4.32Å
144L87.1Confident84.5Confident112 Ų11279.3 Ų79.359%0.58645%0.445SS*.EExtended strand (participates in β ladder)trans-129.5139.6175.3-64.3172.6000108.5L134 V135 D146L134-L144 WeakPolarHBondContact CA-O 3.33Å; V135-L144 PolarHBondContact N-O 2.77Å; V135-L144 PolarHBondContact O-N 3.01Å; L144-D146 PolarHBondContact O-N 2.78Å
145A80Confident84.5Confident45 Ų4589 Ų8937%0.37248%0.481SS..EExtended strand (participates in β ladder)trans-63.1135164.300000108.9L134 K147L134-A145 HydrophobicContact CD2-CB 4.27Å; A145-K147 PolarHBondContact O-N 2.76Å
146D66.6Low84.4Confident51 Ų5193.3 Ų93.327%0.27350%0.496SS..SBendtrans-76.47.4172.5-151.820.8000111.8R95 V135 L144R95-D146 IonicContact NH2-OD1 3.69Å; R95-D146 PolarHBondContact NH2-OD1 2.71Å; V135-D146 HydrophobicContact CG2-CB 3.77Å; L144-D146 PolarHBondContact O-N 2.78Å
147K67.1Low84.4Confident84 Ų8496.9 Ų96.937%0.36551%0.513SS..SBendtrans-97.5135.9-179.1-63.4-174.2-179.1179.10110.8E116 A145E116-K147 WeakPolarHBondContact OE1-CE 3.47Å; E116-K147 IonicContact OE1-NZ 3.03Å; E116-K147 PolarHBondContact OE1-NZ 3.14Å; A145-K147 PolarHBondContact O-N 2.76Å
148G60.9Low84.7Confident75 Ų7598.5 Ų98.577%0.77353%0.534SS*.  trans-80136.9165.600000109.2
149E67.9Low84.9Confident169 Ų169104.4 Ų104.479%0.7956%0.564SS**  trans-110.1134.4-178.3-167.2-168.1155.800110.1
150I81.9Confident85.2Confident151 Ų151106.8 Ų106.877%0.77457%0.567SS**  trans-75.9134.3171.8-171.4167.1000109.6
151R81.4Confident85.4Confident151 Ų151106.3 Ų106.357%0.5757%0.571SS**  trans-106.6130.7-177.7-60.7-170.6179.2173.8-2.6111.6Y156 Q157R151-Y156 HydrophobicContact CB-CD1 3.87Å; R151-Y156 HydrophobicContact CB-CD2 3.67Å; R151-Y156 HydrophobicContact CB-CE1 4.01Å; R151-Y156 HydrophobicContact CB-CE2 3.79Å; R151-Y156 HydrophobicContact CB-CG 3.71Å; R151-Y156 VanDerWaalsContact CD-CE1 3.43Å; R151-Y156 VanDerWaalsContact CD-CZ 3.41Å; R151-Y156 HydrophobicContact CG-CE1 4.38Å; R151-Y156 PolarHBondContact NH1-OH 3.46Å; R151-Q157 PolarHBondContact O-NE2 2.65Å
152V88.8Confident85.5Confident123 Ų123108.5 Ų108.575%0.74558%0.584SS**  trans-113.3131.7175-172.90000109.7
153G86.5Confident85.6Confident19 Ų19114.2 Ų114.220%0.19661%0.609CS.*SBendtrans152.9160.2177.600000113R155 Y156 Q157G153-R155 PolarHBondContact O-N 3Å; G153-Y156 WeakPolarHBondContact O-CA 3.49Å; G153-Y156 WeakPolarHBondContact O-CB 3.04Å; G153-Y156 PolarHBondContact O-N 2.96Å; G153-Q157 VanDerWaalsContact CA-OE1 3.32Å; G153-Q157 PolarHBondContact O-N 3.08Å; G153-Q157 VanDerWaalsContact O-N 3.07Å; G153-Q157 PolarHBondContact O-OE1 2.87Å
154P90.7Very high85.9Confident124 Ų124118 Ų11881%0.80563%0.629SS**THydrogen-bonded Turntrans-62.1-8.3-175.925.9-36.3000114.9Y156P154-Y156 VanDerWaalsContact C-N 3.35Å
155R90.3Very high86.2Confident210 Ų210118.5 Ų118.579%0.79263%0.631SS**THydrogen-bonded Turntrans-88.5-5.2172.4-60.6-175.7-63.6176-0.3113.2G153G153-R155 PolarHBondContact O-N 3Å
156Y91.6Very high86.6Confident104 Ų104126.2 Ų126.241%0.40866%0.659SS.*THydrogen-bonded Turntrans-124.9-41.2-173-56-66.4000111.6R151 G153 P154R151-Y156 HydrophobicContact CB-CD1 3.87Å; R151-Y156 HydrophobicContact CB-CD2 3.67Å; R151-Y156 HydrophobicContact CB-CE1 4.01Å; R151-Y156 HydrophobicContact CB-CE2 3.79Å; R151-Y156 HydrophobicContact CB-CG 3.71Å; R151-Y156 VanDerWaalsContact CD-CE1 3.43Å; R151-Y156 VanDerWaalsContact CD-CZ 3.41Å; R151-Y156 HydrophobicContact CG-CE1 4.38Å; R151-Y156 PolarHBondContact NH1-OH 3.46Å; G153-Y156 WeakPolarHBondContact O-CA 3.49Å; G153-Y156 WeakPolarHBondContact O-CB 3.04Å; G153-Y156 PolarHBondContact O-N 2.96Å; P154-Y156 VanDerWaalsContact C-N 3.35Å
157Q95.3Very high87.7Confident92 Ų92128 Ų12843%0.4369%0.69SS.*SBendtrans-74144173-77.8705700110.7R151 G153R151-Q157 PolarHBondContact O-NE2 2.65Å; G153-Q157 VanDerWaalsContact CA-OE1 3.32Å; G153-Q157 PolarHBondContact O-N 3.08Å; G153-Q157 VanDerWaalsContact O-N 3.07Å; G153-Q157 PolarHBondContact O-OE1 2.87Å
158A96.9Very high88.9Confident88 Ų88129 Ų12973%0.72770%0.696SS**PPolyproline II helixtrans-76.4146.5167.800000109.8I160A158-I160 PolarHBondContact O-N 2.8Å
159D96.1Very high90.3Very high152 Ų152129.6 Ų129.681%0.81369%0.688SS**PPolyproline II helixtrans-70.3124.8166.5-64.2-36.3000108.2P161D159-P161 VanDerWaalsContact O-CD 3.32Å; D159-P161 WeakPolarHBondContact O-CD 3.46Å
160I96.2Very high91.4Very high157 Ų157125 Ų12581%0.80567%0.669SS**PPolyproline II helixtrans-77.6118.6-176.8-62.2169.7000107.7A158A158-I160 PolarHBondContact O-N 2.8Å
161P95Very high91.9Very high114 Ų114126.1 Ų126.174%0.7467%0.671SS**PPolyproline II helixtrans-60.1140175.6-21.633.6000110.8D159D159-P161 VanDerWaalsContact O-CD 3.32Å; D159-P161 WeakPolarHBondContact O-CD 3.46Å
162E93.5Very high92.6Very high185 Ų185127 Ų12786%0.86467%0.674SS**PPolyproline II helixtrans-65147.1174.7-67-176.8-17800110.6L164E162-L164 PolarHBondContact O-N 2.7Å
163M94.3Very high92.9Very high176 Ų176126 Ų12687%0.86766%0.662SS**PPolyproline II helixtrans-72.8127.8176.6-167.7179.9-48.100109
164L95.6Very high93.3Very high96 Ų96131.7 Ų131.750%0.50368%0.683SS.*PPolyproline II helixtrans-62.2139.3174.6-65.2172.6000110.3E162 E168 D170E162-L164 PolarHBondContact O-N 2.7Å; L164-E168 HydrophobicContact CB-CB 4.41Å; L164-E168 HydrophobicContact CD2-CB 4.43Å; L164-D170 HydrophobicContact CD1-CB 3.71Å
165L93.8Very high93.5Very high122 Ų122130.5 Ų130.564%0.63968%0.678SS**PPolyproline II helixtrans-76.8161175.6-60.5175000110.9G167 E168L165-G167 PolarHBondContact O-N 3.07Å; L165-G167 VanDerWaalsContact O-N 3.17Å; L165-E168 HydrophobicContact CB-CG 4.13Å; L165-E168 PolarHBondContact N-OE2 2.74Å; L165-E168 WeakPolarHBondContact O-CB 3.43Å; L165-E168 PolarHBondContact O-N 2.9Å
166E88.4Confident93.8Very high207 Ų207127.7 Ų127.797%0.96767%0.671SS**THydrogen-bonded Turntrans-59.2122177-70.3-175.2171.100111
167G89.6Confident94Very high89 Ų89128.4 Ų128.492%0.91868%0.681SS**THydrogen-bonded Turntrans93.1-7.7-178.900000114.9L165L165-G167 PolarHBondContact O-N 3.07Å; L165-G167 VanDerWaalsContact O-N 3.17Å
168E93.1Very high94.1Very high106 Ų106130 Ų13050%0.49569%0.689SS.*  trans-76.7140.8170.1-67.6-176.7157.700111L164 L165L164-E168 HydrophobicContact CB-CB 4.41Å; L164-E168 HydrophobicContact CD2-CB 4.43Å; L165-E168 HydrophobicContact CB-CG 4.13Å; L165-E168 PolarHBondContact N-OE2 2.74Å; L165-E168 WeakPolarHBondContact O-CB 3.43Å; L165-E168 PolarHBondContact O-N 2.9Å
169S89.2Confident94Very high87 Ų87131.7 Ų131.761%0.60869%0.69SS**  trans-93.9146.7175.4-179.60000109.7E171S169-E171 PolarHBondContact O-N 2.76Å; S169-E171 PolarHBondContact OG-N 3.18Å
170D92Very high94Very high72 Ų72129 Ų12939%0.38567%0.671SS.*  trans-79.80.9173.468.5-8000113.2L164 R172L164-D170 HydrophobicContact CD1-CB 3.71Å; D170-R172 HydrophobicContact CB-CG 4.49Å; D170-R172 PolarHBondContact O-N 2.87Å; D170-R172 PolarHBondContact OD1-N 3.35Å; D170-R172 IonicContact OD2-CZ 3.86Å; D170-R172 IonicContact OD2-NE 2.96Å; D170-R172 PolarHBondContact OD2-NE 3.26Å; D170-R172 IonicContact OD2-NH2 2.68Å; D170-R172 PolarHBondContact OD2-NH2 2.9Å
171E92.8Very high94Very high174 Ų174126 Ų12681%0.81366%0.66SS**  trans55.914.1179.9-57.3-173.4166.100114.7S169 E173S169-E171 PolarHBondContact O-N 2.76Å; S169-E171 PolarHBondContact OG-N 3.18Å; E171-E173 PolarHBondContact O-N 3.44Å
172R94.6Very high94.1Very high169 Ų169123.9 Ų123.964%0.63864%0.637SS**  trans-82.6120.3-176.4-70.4-168.4-64.6172.7-1.3111.7D170 Q174 L177D170-R172 HydrophobicContact CB-CG 4.49Å; D170-R172 PolarHBondContact O-N 2.87Å; D170-R172 PolarHBondContact OD1-N 3.35Å; D170-R172 IonicContact OD2-CZ 3.86Å; D170-R172 IonicContact OD2-NE 2.96Å; D170-R172 PolarHBondContact OD2-NE 3.26Å; D170-R172 IonicContact OD2-NH2 2.68Å; D170-R172 PolarHBondContact OD2-NH2 2.9Å; R172-Q174 PolarHBondContact O-N 3.23Å; R172-L177 HydrophobicContact CB-CD1 4.2Å
173E95.5Very high94.2Very high103 Ų103117 Ų11748%0.48161%0.606SS.*  trans-83.1102.9172.5-68.4179.7-13400111.4E171 S175 K176E171-E173 PolarHBondContact O-N 3.44Å; E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 3.33Å; E173-K176 HydrophobicContact CB-CB 4.48Å; E173-K176 HydrophobicContact CB-CD 4.13Å; E173-K176 HydrophobicContact CB-CG 4.34Å; E173-K176 PolarHBondContact O-N 3.03Å; E173-K176 VanDerWaalsContact O-N 3.14Å; E173-K176 IonicContact OE1-NZ 2.69Å; E173-K176 PolarHBondContact OE1-NZ 2.85Å; E173-K176 VanDerWaalsContact OE2-CD 3.26Å; E173-K176 WeakPolarHBondContact OE2-CD 3.25Å; E173-K176 WeakPolarHBondContact OE2-CE 3.33Å; E173-K176 IonicContact OE2-NZ 3.46Å; E173-K176 PolarHBondContact OE2-NZ 3.44Å
174Q95.6Very high94.2Very high139 Ų139113.7 Ų113.765%0.6560%0.598SS**Hα-helixtrans-59.3-36-176.6-68.8-174.11000113.7R172 K176 L177 E178R172-Q174 PolarHBondContact O-N 3.23Å; Q174-K176 PolarHBondContact O-N 3.22Å; Q174-K176 VanDerWaalsContact O-N 3.17Å; Q174-L177 PolarHBondContact O-N 2.97Å; Q174-E178 PolarHBondContact O-N 2.76Å
175S94.7Very high94.1Very high99 Ų99116 Ų11669%0.69261%0.611SS**Hα-helixtrans-63.8-21.3179.655.90000114.3E173E173-S175 VanDerWaalsContact C-N 3.3Å; E173-S175 PolarHBondContact O-N 3.33Å
176K95.9Very high94Very high151 Ų151111.4 Ų111.466%0.65759%0.589SS**Hα-helixtrans-86.6-17.5173.1-69.9177.8177156.10112.7E173 Q174E173-K176 HydrophobicContact CB-CB 4.48Å; E173-K176 HydrophobicContact CB-CD 4.13Å; E173-K176 HydrophobicContact CB-CG 4.34Å; E173-K176 PolarHBondContact O-N 3.03Å; E173-K176 VanDerWaalsContact O-N 3.14Å; E173-K176 IonicContact OE1-NZ 2.69Å; E173-K176 PolarHBondContact OE1-NZ 2.85Å; E173-K176 VanDerWaalsContact OE2-CD 3.26Å; E173-K176 WeakPolarHBondContact OE2-CD 3.25Å; E173-K176 WeakPolarHBondContact OE2-CE 3.33Å; E173-K176 IonicContact OE2-NZ 3.46Å; E173-K176 PolarHBondContact OE2-NZ 3.44Å; Q174-K176 PolarHBondContact O-N 3.22Å; Q174-K176 VanDerWaalsContact O-N 3.17Å
177L96.8Very high94.3Very high118 Ų118106.4 Ų106.462%0.61857%0.574SS**Hα-helixtrans-99.7-34.4-175-62.1175.7000112R172 Q174R172-L177 HydrophobicContact CB-CD1 4.2Å; Q174-L177 PolarHBondContact O-N 2.97Å
178E96.6Very high94.7Very high127 Ų127103.1 Ų103.159%0.59354%0.536SS*.  trans-147.4153.7-175.360.2179.8-138.900113Q174Q174-E178 PolarHBondContact O-N 2.76Å
179V95.7Very high94.9Very high122 Ų122101.8 Ų101.874%0.73954%0.535SS*.  trans-127.5122.8170176.50000106.9V181V179-V181 PolarHBondContact O-N 3.32Å
180K95.2Very high95.2Very high95 Ų95103.8 Ų103.841%0.41354%0.538SS..  trans-68.7128175.7-173.4177.5-171.4177.40109.2W182 D183 Y242K180-W182 VanDerWaalsContact CE-O 3.25Å; K180-W182 WeakPolarHBondContact CE-O 3.41Å; K180-W182 WeakPolarHBondContact CG-O 3.46Å; K180-D183 VanDerWaalsContact CE-CA 3.49Å; K180-D183 IonicContact NZ-OD1 3.43Å; K180-D183 PolarHBondContact NZ-OD1 3.44Å; K180-D183 IonicContact NZ-OD2 3.43Å; K180-D183 PolarHBondContact NZ-OD2 3.05Å; K180-Y242 WeakPolarHBondContact CB-OH 3.47Å; K180-Y242 HydrophobicContact CD-CE2 4.22Å; K180-Y242 HydrophobicContact CG-CE2 4.12Å; K180-Y242 WeakPolarHBondContact CG-OH 3.28Å; K180-Y242 WeakPolarHBondContact O-CE1 3.47Å; K180-Y242 PolarHBondContact O-OH 2.84Å
181V96.2Very high95.5Very high94 Ų94109 Ų10957%0.5755%0.553SS**  trans-114.2-11.6-179.5-64.20000113.3V179 Y242V179-V181 PolarHBondContact O-N 3.32Å; V181-Y242 WeakPolarHBondContact O-CB 3.4Å; V181-Y242 WeakPolarHBondContact O-CD1 3.32Å
182W96.7Very high95.7Very high70 Ų70103.8 Ų103.827%0.26553%0.528SS..  trans-157.5142.3175.8-177.9-97.5000109.8K180 I193 M238 L241 Y246K180-W182 VanDerWaalsContact CE-O 3.25Å; K180-W182 WeakPolarHBondContact CE-O 3.41Å; K180-W182 WeakPolarHBondContact CG-O 3.46Å; W182-I193 HydrophobicContact CH2-CD1 4Å; W182-I193 HydrophobicContact CH2-CG1 4.4Å; W182-I193 HydrophobicContact CH2-CG2 4.41Å; W182-I193 HydrophobicContact CZ2-CD1 3.93Å; W182-M238 HydrophobicContact CD2-CE 3.98Å; W182-M238 HydrophobicContact CE3-CB 4.19Å; W182-M238 HydrophobicContact CE3-CE 3.78Å; W182-M238 HydrophobicContact CH2-CE 3.25Å; W182-M238 HydrophobicContact CH2-SD 3.91Å; W182-M238 HydrophobicContact CZ2-CE 3.49Å; W182-M238 VanDerWaalsContact CZ2-CE 3.49Å; W182-M238 HydrophobicContact CZ3-CB 4.13Å; W182-M238 HydrophobicContact CZ3-CE 3.4Å; W182-M238 WeakPolarHBondContact CZ3-O 3.46Å; W182-M238 HydrophobicContact CZ3-SD 3.84Å; W182-L241 HydrophobicContact CH2-CD1 4.27Å; W182-L241 HydrophobicContact CZ3-CB 4.07Å; W182-L241 HydrophobicContact CZ3-CD1 4.23Å; W182-Y246 HydrophobicContact CE3-CE1 4.06Å; W182-Y246 HydrophobicContact CH2-CD1 4.47Å; W182-Y246 AromaticContact CH2-CE1 3.69Å; W182-Y246 HydrophobicContact CH2-CE1 3.69Å; W182-Y246 HydrophobicContact CZ2-CE1 4.14Å; W182-Y246 AromaticContact CZ3-CE1 3.65Å; W182-Y246 HydrophobicContact CZ3-CE1 3.65Å
183D95.3Very high95.9Very high41 Ų4196.4 Ų96.422%0.21950%0.502CS..  trans-105.6114.9171.8-158.8-13.8000111.2K180 N185 S186 Y242 Y246K180-D183 VanDerWaalsContact CE-CA 3.49Å; K180-D183 IonicContact NZ-OD1 3.43Å; K180-D183 PolarHBondContact NZ-OD1 3.44Å; K180-D183 IonicContact NZ-OD2 3.43Å; K180-D183 PolarHBondContact NZ-OD2 3.05Å; D183-N185 PolarHBondContact O-N 3.49Å; D183-N185 PolarHBondContact OD1-N 3.04Å; D183-N185 VanDerWaalsContact OD1-N 3.13Å; D183-S186 PolarHBondContact O-N 3.3Å; D183-Y242 HydrophobicContact CB-CD2 4.48Å; D183-Y242 HydrophobicContact CB-CE2 4.4Å; D183-Y246 WeakPolarHBondContact CA-OH 3.14Å; D183-Y246 HydrophobicContact CB-CE2 3.88Å; D183-Y246 WeakPolarHBondContact CB-OH 3.47Å; D183-Y246 PolarHBondContact N-OH 3.41Å; D183-Y246 PolarHBondContact O-OH 2.9Å
184P94.3Very high96Very high106 Ų10696.2 Ų96.269%0.68850%0.504SS*.THydrogen-bonded Turntrans-60.6-25.9173.2-23.934.7000113.6S186P184-S186 PolarHBondContact O-N 2.95Å
185N93.7Very high96.1Very high146 Ų14694.5 Ų94.578%0.78150%0.496SS*.THydrogen-bonded Turntrans-89.237.5179.6-63.6-36.9000112.1D183D183-N185 PolarHBondContact O-N 3.49Å; D183-N185 PolarHBondContact OD1-N 3.04Å; D183-N185 VanDerWaalsContact OD1-N 3.13Å
186S91.8Very high96.3Very high24 Ų2490 Ų9017%0.16846%0.464CS..  trans-63.9147.9-177.988.80000111.5D183 P184 L188D183-S186 PolarHBondContact O-N 3.3Å; P184-S186 PolarHBondContact O-N 2.95Å; S186-L188 PolarHBondContact O-N 2.9Å; S186-L188 PolarHBondContact OG-N 3.3Å; S186-L188 PolarHBondContact OG-O 2.97Å
187P95.5Very high96.4Very high102 Ų10284 Ų8466%0.66244%0.439SS*.SBendtrans-73.5-6.5175.932.1-36.4000113.1Y246P187-Y246 HydrophobicContact CG-CG 4.34Å
188L96.7Very high96.5Very high21 Ų2182.1 Ų82.111%0.1143%0.432CS..SBendtrans-86.8143.2-179.4-60.6177.9000110.6S186 Q192 I193 L241 Y246 L248S186-L188 PolarHBondContact O-N 2.9Å; S186-L188 PolarHBondContact OG-N 3.3Å; S186-L188 PolarHBondContact OG-O 2.97Å; L188-Q192 HydrophobicContact CB-CB 4.39Å; L188-Q192 HydrophobicContact CD2-CB 4.43Å; L188-I193 HydrophobicContact CB-CD1 4.23Å; L188-I193 HydrophobicContact CB-CG1 3.86Å; L188-I193 HydrophobicContact CD1-CG1 4.22Å; L188-L241 HydrophobicContact CD1-CD1 4.43Å; L188-L241 HydrophobicContact CD1-CD2 4.05Å; L188-Y246 HydrophobicContact CD1-CD1 3.98Å; L188-Y246 HydrophobicContact CG-CD1 4.46Å; L188-L248 HydrophobicContact CD1-CD2 3.97Å; L188-L248 HydrophobicContact CD1-CG 4.43Å; L188-L248 HydrophobicContact CD2-CD1 4.12Å; L188-L248 HydrophobicContact CD2-CD2 4.35Å; L188-L248 HydrophobicContact CD2-CG 3.98Å
189T97.2Very high96.5Very high78 Ų7878.8 Ų78.848%0.47942%0.42SS..  trans-75.8152.6167.260.80000110.5R191 Q192 I193T189-R191 PolarHBondContact O-N 2.88Å; T189-R191 VanDerWaalsContact O-N 3.11Å; T189-Q192 WeakPolarHBondContact O-CB 3.29Å; T189-Q192 PolarHBondContact O-N 3.28Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.43Å; T189-Q192 PolarHBondContact OG1-N 3.28Å; T189-Q192 PolarHBondContact OG1-OE1 3.37Å; T189-I193 PolarHBondContact O-N 3.22Å; T189-I193 VanDerWaalsContact O-N 3.1Å
190D96.8Very high96.6Very high128 Ų12873.2 Ų73.268%0.68439%0.387SS*.Hα-helixtrans-50.6-39.2174.5-66.1-10.8000112Q192 I193 D194D190-Q192 VanDerWaalsContact C-N 3.34Å; D190-Q192 PolarHBondContact O-N 3.45Å; D190-I193 PolarHBondContact O-N 3.4Å; D190-D194 WeakPolarHBondContact O-CB 3.45Å; D190-D194 PolarHBondContact O-N 3.18Å
191R97.8Very high96.7Very high183 Ų18372.9 Ų72.969%0.69138%0.383SS*.Hα-helixtrans-60.3-40.2176.2-176.6178.3176174.61.5112.9T189 Q195T189-R191 PolarHBondContact O-N 2.88Å; T189-R191 VanDerWaalsContact O-N 3.11Å; R191-Q195 WeakPolarHBondContact O-CB 3.3Å; R191-Q195 WeakPolarHBondContact O-CG 3.43Å; R191-Q195 PolarHBondContact O-N 2.86Å
192Q97.8Very high96.8Very high63 Ų6371.2 Ų71.229%0.29438%0.379SS..Hα-helixtrans-70.7-38.1178-74.3166.8-60.100111.4L188 T189 D190 Q195 F196 L248L188-Q192 HydrophobicContact CB-CB 4.39Å; L188-Q192 HydrophobicContact CD2-CB 4.43Å; T189-Q192 WeakPolarHBondContact O-CB 3.29Å; T189-Q192 PolarHBondContact O-N 3.28Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.43Å; T189-Q192 PolarHBondContact OG1-N 3.28Å; T189-Q192 PolarHBondContact OG1-OE1 3.37Å; D190-Q192 VanDerWaalsContact C-N 3.34Å; D190-Q192 PolarHBondContact O-N 3.45Å; Q192-Q195 PolarHBondContact O-N 2.78Å; Q192-F196 WeakPolarHBondContact O-CB 2.92Å; Q192-F196 PolarHBondContact O-N 3.2Å; Q192-L248 HydrophobicContact CB-CD1 4.33Å; Q192-L248 HydrophobicContact CG-CD1 4.48Å
193I97.8Very high96.8Very high15 Ų1568.9 Ų68.98%0.07737%0.372CS..Hα-helixtrans-62.9-49.9175-62167.5000109.4W182 L188 T189 D190 Q195 F196 L197 M238 L241W182-I193 HydrophobicContact CH2-CD1 4Å; W182-I193 HydrophobicContact CH2-CG1 4.4Å; W182-I193 HydrophobicContact CH2-CG2 4.41Å; W182-I193 HydrophobicContact CZ2-CD1 3.93Å; L188-I193 HydrophobicContact CB-CD1 4.23Å; L188-I193 HydrophobicContact CB-CG1 3.86Å; L188-I193 HydrophobicContact CD1-CG1 4.22Å; T189-I193 PolarHBondContact O-N 3.22Å; T189-I193 VanDerWaalsContact O-N 3.1Å; D190-I193 PolarHBondContact O-N 3.4Å; I193-Q195 VanDerWaalsContact C-N 3.32Å; I193-Q195 PolarHBondContact O-N 3.2Å; I193-F196 WeakPolarHBondContact O-CB 3.49Å; I193-F196 PolarHBondContact O-N 2.86Å; I193-F196 VanDerWaalsContact O-N 3.08Å; I193-L197 HydrophobicContact CG2-CD1 4.38Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CG 3.32Å; I193-L197 PolarHBondContact O-N 2.78Å; I193-M238 HydrophobicContact CG2-CE 4.15Å; I193-M238 HydrophobicContact CG2-SD 3.73Å; I193-L241 HydrophobicContact CG2-CD1 4.31Å
194D97.9Very high96.7Very high99 Ų9967 Ų6753%0.52936%0.363SS..Hα-helixtrans-57.2-43.6176.8-78.6-18.9000112.3D190 L197 V198D190-D194 WeakPolarHBondContact O-CB 3.45Å; D190-D194 PolarHBondContact O-N 3.18Å; D194-L197 PolarHBondContact O-N 3.48Å; D194-V198 WeakPolarHBondContact O-CG2 3.45Å; D194-V198 PolarHBondContact O-N 3.05Å
195Q97.9Very high96.7Very high102 Ų10263.1 Ų63.148%0.47734%0.337SS..Hα-helixtrans-61.4-43.5175.5-77.4173.6-17.400111.6R191 Q192 I193 V198 V199R191-Q195 WeakPolarHBondContact O-CB 3.3Å; R191-Q195 WeakPolarHBondContact O-CG 3.43Å; R191-Q195 PolarHBondContact O-N 2.86Å; Q192-Q195 PolarHBondContact O-N 2.78Å; I193-Q195 VanDerWaalsContact C-N 3.32Å; I193-Q195 PolarHBondContact O-N 3.2Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.29Å; Q195-V199 WeakPolarHBondContact O-CG2 3.16Å; Q195-V199 PolarHBondContact O-N 3.36Å
196F98.2Very high96.7Very high5 Ų562 Ų622%0.02233%0.326CS..Hα-helixtrans-63.1-41.1175.9-175.1-94.5000111.9Q192 I193 V198 V199 A200 A237 T240 L241 L248 A251 I252 L255Q192-F196 WeakPolarHBondContact O-CB 2.92Å; Q192-F196 PolarHBondContact O-N 3.2Å; I193-F196 WeakPolarHBondContact O-CB 3.49Å; I193-F196 PolarHBondContact O-N 2.86Å; I193-F196 VanDerWaalsContact O-N 3.08Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.4Å; F196-V199 WeakPolarHBondContact O-CB 3.45Å; F196-V199 PolarHBondContact O-N 3.5Å; F196-V199 VanDerWaalsContact O-N 3.14Å; F196-A200 PolarHBondContact O-N 2.8Å; F196-A237 HydrophobicContact CD1-CB 4.26Å; F196-A237 HydrophobicContact CE1-CB 3.89Å; F196-A237 WeakPolarHBondContact CE1-O 3.43Å; F196-T240 HydrophobicContact CZ-CG2 4.43Å; F196-L241 HydrophobicContact CB-CD1 4.4Å; F196-L241 HydrophobicContact CB-CD2 4.41Å; F196-L241 HydrophobicContact CD1-CD1 3.63Å; F196-L241 HydrophobicContact CD1-CD2 3.68Å; F196-L241 HydrophobicContact CD1-CG 3.53Å; F196-L241 HydrophobicContact CD2-CD2 3.89Å; F196-L241 HydrophobicContact CE1-CD1 4.17Å; F196-L241 HydrophobicContact CE1-CD2 3.82Å; F196-L241 HydrophobicContact CE1-CG 3.59Å; F196-L241 HydrophobicContact CE2-CD2 4.01Å; F196-L241 HydrophobicContact CG-CD1 4.15Å; F196-L241 HydrophobicContact CG-CD2 3.72Å; F196-L241 HydrophobicContact CG-CG 4.09Å; F196-L241 HydrophobicContact CZ-CD2 3.98Å; F196-L241 HydrophobicContact CZ-CG 4.18Å; F196-L248 HydrophobicContact CB-CD2 4.09Å; F196-L248 HydrophobicContact CD2-CD2 3.92Å; F196-L248 HydrophobicContact CG-CD2 4.25Å; F196-A251 HydrophobicContact CE2-CB 3.6Å; F196-A251 HydrophobicContact CZ-CB 3.67Å; F196-I252 HydrophobicContact CD2-CG1 4.01Å; F196-I252 HydrophobicContact CE2-CG1 3.75Å; F196-L255 HydrophobicContact CE1-CD1 4.29Å; F196-L255 HydrophobicContact CE2-CD1 3.96Å; F196-L255 HydrophobicContact CZ-CD1 3.65Å; F196-L255 HydrophobicContact CZ-CG 4.23Å
197L98.3Very high96.7Very high26 Ų2661.1 Ų61.114%0.13632%0.32CS..Hα-helixtrans-63.4-35174.8-65.4-178.8000112.5I193 D194 R201 L234 A237 M238I193-L197 HydrophobicContact CG2-CD1 4.38Å; I193-L197 HydrophobicContact CG2-CG 4.48Å; I193-L197 WeakPolarHBondContact O-CG 3.32Å; I193-L197 PolarHBondContact O-N 2.78Å; D194-L197 PolarHBondContact O-N 3.48Å; L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.18Å; L197-R201 VanDerWaalsContact O-N 3.13Å; L197-R201 PolarHBondContact O-NE 2.94Å; L197-L234 HydrophobicContact CB-CD2 4.3Å; L197-L234 HydrophobicContact CD2-CD2 4.24Å; L197-A237 HydrophobicContact CD2-CB 3.65Å; L197-M238 HydrophobicContact CD1-SD 4.26Å; L197-M238 HydrophobicContact CD2-CG 4.1Å; L197-M238 HydrophobicContact CD2-SD 3.91Å; L197-M238 HydrophobicContact CG-SD 4.39Å
198V98.2Very high96.5Very high78 Ų7856.9 Ų56.947%0.47329%0.291SS..Hα-helixtrans-64.4-44.7171.3172.40000110.9D194 Q195 F196 R201 A202D194-V198 WeakPolarHBondContact O-CG2 3.45Å; D194-V198 PolarHBondContact O-N 3.05Å; Q195-V198 WeakPolarHBondContact O-CB 3.37Å; Q195-V198 PolarHBondContact O-N 3.29Å; F196-V198 VanDerWaalsContact C-N 3.31Å; F196-V198 PolarHBondContact O-N 3.4Å; V198-R201 PolarHBondContact O-N 2.83Å; V198-A202 PolarHBondContact O-N 2.95Å
199V97.8Very high96Very high57 Ų5759.2 Ų59.235%0.34531%0.313SS..Hα-helixtrans-61.3-46.5177.4172.80000110.9Q195 F196 R201 A202 V203Q195-V199 WeakPolarHBondContact O-CG2 3.16Å; Q195-V199 PolarHBondContact O-N 3.36Å; F196-V199 WeakPolarHBondContact O-CB 3.45Å; F196-V199 PolarHBondContact O-N 3.5Å; F196-V199 VanDerWaalsContact O-N 3.14Å; V199-R201 VanDerWaalsContact C-N 3.32Å; V199-R201 PolarHBondContact O-N 2.96Å; V199-A202 WeakPolarHBondContact O-CB 3.24Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-A202 VanDerWaalsContact O-N 3.12Å; V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.38Å; V199-V203 PolarHBondContact O-N 3.44Å
200A97.9Very high95.5Very high5 Ų560.2 Ų60.24%0.04132%0.315CS..Hα-helixtrans-58.7-41.7177.500000112.5F196 V203 G204 A237 L255F196-A200 PolarHBondContact O-N 2.8Å; A200-V203 PolarHBondContact O-N 2.87Å; A200-G204 PolarHBondContact O-N 3.41Å; A200-A237 HydrophobicContact CB-CB 3.59Å; A200-L255 HydrophobicContact CB-CD1 3.98Å
201R97.5Very high94.7Very high88 Ų8856 Ų5633%0.33229%0.292SS..Hα-helixtrans-65.2-39.6174.3-72-174.2-73.5162.1-7.8112.9L197 V198 V199 G204 T205 A228 S229 L234L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.29Å; L197-R201 PolarHBondContact O-N 3.18Å; L197-R201 VanDerWaalsContact O-N 3.13Å; L197-R201 PolarHBondContact O-NE 2.94Å; V198-R201 PolarHBondContact O-N 2.83Å; V199-R201 VanDerWaalsContact C-N 3.32Å; V199-R201 PolarHBondContact O-N 2.96Å; R201-G204 PolarHBondContact O-N 3.07Å; R201-T205 WeakPolarHBondContact O-CB 3.44Å; R201-T205 PolarHBondContact O-N 3.48Å; R201-T205 PolarHBondContact O-OG1 3.35Å; R201-A228 WeakPolarHBondContact O-CB 3.2Å; R201-S229 WeakPolarHBondContact CD-OG 3.43Å; R201-L234 HydrophobicContact CG-CD2 4.05Å
202A97.1Very high93.1Very high58 Ų5852.9 Ų52.948%0.47930%0.297SS..Hα-helixtrans-64.1-44.3176.200000111.3V198 V199 T205 F206V198-A202 PolarHBondContact O-N 2.95Å; V199-A202 WeakPolarHBondContact O-CB 3.24Å; V199-A202 PolarHBondContact O-N 3.48Å; V199-A202 VanDerWaalsContact O-N 3.12Å; A202-T205 PolarHBondContact O-N 2.79Å; A202-F206 PolarHBondContact O-N 3.11Å
203V96.5Very high91.3Very high21 Ų2154.5 Ų54.513%0.12732%0.316CS..Hα-helixtrans-59.8-47.8173.9173.20000110.8V199 A200 T205 F206 A207 L255 V256 P261V199-V203 HydrophobicContact CG1-CG2 4.35Å; V199-V203 WeakPolarHBondContact O-CG2 3.38Å; V199-V203 PolarHBondContact O-N 3.44Å; A200-V203 PolarHBondContact O-N 2.87Å; V203-T205 VanDerWaalsContact C-N 3.29Å; V203-T205 PolarHBondContact O-N 3.16Å; V203-F206 PolarHBondContact O-N 2.89Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.48Å; V203-L255 HydrophobicContact CG1-CB 4.29Å; V203-L255 WeakPolarHBondContact CG1-O 3.35Å; V203-L255 HydrophobicContact CG2-CB 4.44Å; V203-V256 HydrophobicContact CG1-CG2 4.04Å; V203-V256 HydrophobicContact CG2-CG2 3.97Å; V203-P261 HydrophobicContact CG1-CB 3.58Å
204G94.8Very high89.3Confident3 Ų356.1 Ų56.13%0.03133%0.329CS..Hα-helixtrans-63.6-31.717800000113.7A200 R201 R208A200-G204 PolarHBondContact O-N 3.41Å; R201-G204 PolarHBondContact O-N 3.07Å; G204-R208 WeakPolarHBondContact O-CG 3.43Å; G204-R208 PolarHBondContact O-N 3.48Å; G204-R208 PolarHBondContact O-NH1 3.13Å
205T94.1Very high86.9Confident24 Ų2457 Ų5715%0.14734%0.343CS..Hα-helixtrans-69.9-43.8174.1-55.60000110.6R201 A202 V203 R208 A209 L221 A225 A228R201-T205 WeakPolarHBondContact O-CB 3.44Å; R201-T205 PolarHBondContact O-N 3.48Å; R201-T205 PolarHBondContact O-OG1 3.35Å; A202-T205 PolarHBondContact O-N 2.79Å; V203-T205 VanDerWaalsContact C-N 3.29Å; V203-T205 PolarHBondContact O-N 3.16Å; T205-R208 PolarHBondContact O-N 2.95Å; T205-A209 PolarHBondContact O-N 3.39Å; T205-L221 HydrophobicContact CG2-CD1 4.35Å; T205-A225 HydrophobicContact CG2-CB 4.31Å; T205-A228 WeakPolarHBondContact OG1-CB 3.49Å
206F92.6Very high84.7Confident121 Ų12155.7 Ų55.753%0.53134%0.341SS..Hα-helixtrans-65.4-41.1176.8-178.7-115.7000112A202 V203 R208 A209 L210 P261A202-F206 PolarHBondContact O-N 3.11Å; V203-F206 PolarHBondContact O-N 2.89Å; F206-R208 VanDerWaalsContact C-N 3.34Å; F206-R208 PolarHBondContact O-N 2.96Å; F206-A209 WeakPolarHBondContact O-CB 3.39Å; F206-A209 PolarHBondContact O-N 3.31Å; F206-L210 HydrophobicContact CD1-CD1 4.07Å; F206-L210 HydrophobicContact CE1-CD1 3.5Å; F206-L210 VanDerWaalsContact CE1-CD1 3.5Å; F206-L210 HydrophobicContact CE1-CG 4.27Å; F206-L210 HydrophobicContact CE2-CD1 4.35Å; F206-L210 HydrophobicContact CE2-CD2 4.28Å; F206-L210 HydrophobicContact CE2-CG 4.3Å; F206-L210 HydrophobicContact CZ-CD1 3.66Å; F206-L210 HydrophobicContact CZ-CD2 4.15Å; F206-L210 HydrophobicContact CZ-CG 4.09Å; F206-L210 PolarHBondContact O-N 3.26Å; F206-P261 HydrophobicContact CD1-CB 4.41Å; F206-P261 HydrophobicContact CD1-CG 3.92Å; F206-P261 HydrophobicContact CE1-CG 4.31Å
207A92.4Very high82.5Confident6 Ų666.3 Ų66.35%0.0538%0.381CS..Hα-helixtrans-56.5-45.7176.300000112.3V203 A209 L210 D211 P261 L263V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.48Å; A207-A209 VanDerWaalsContact C-N 3.28Å; A207-A209 PolarHBondContact O-N 3.14Å; A207-L210 PolarHBondContact O-N 3.15Å; A207-L210 VanDerWaalsContact O-N 3.12Å; A207-D211 PolarHBondContact O-N 2.95Å; A207-P261 HydrophobicContact CB-CB 3.95Å; A207-P261 HydrophobicContact CB-CG 3.7Å; A207-L263 HydrophobicContact CB-CB 4.13Å; A207-L263 HydrophobicContact CB-CD1 4.09Å
208R90Very high80.6Confident13 Ų1373.8 Ų73.85%0.04942%0.416CS..Hα-helixtrans-63.8-31176-69.8170.2174.176.6-0.3113.3G204 T205 F206 L210 D211 L263 C264 E269G204-R208 WeakPolarHBondContact O-CG 3.43Å; G204-R208 PolarHBondContact O-N 3.48Å; G204-R208 PolarHBondContact O-NH1 3.13Å; T205-R208 PolarHBondContact O-N 2.95Å; F206-R208 VanDerWaalsContact C-N 3.34Å; F206-R208 PolarHBondContact O-N 2.96Å; R208-L210 VanDerWaalsContact C-N 3.29Å; R208-D211 PolarHBondContact O-N 3.38Å; R208-L263 HydrophobicContact CG-CD1 3.4Å; R208-C264 PolarHBondContact NH2-O 2.51Å; R208-E269 IonicContact CZ-OE1 2.72Å; R208-E269 IonicContact CZ-OE2 2.71Å; R208-E269 IonicContact NE-OE1 2.68Å; R208-E269 PolarHBondContact NE-OE1 2.99Å; R208-E269 IonicContact NE-OE2 2.96Å; R208-E269 PolarHBondContact NE-OE2 3.28Å; R208-E269 IonicContact NH2-OE1 2.73Å; R208-E269 PolarHBondContact NH2-OE1 3.15Å; R208-E269 IonicContact NH2-OE2 2.81Å; R208-E269 PolarHBondContact NH2-OE2 2.88Å
209A87.7Confident79.1Confident71 Ų7172.7 Ų72.759%0.58741%0.41SS*.Hα-helixtrans-71.7-26.2176.200000112.5T205 F206 A207T205-A209 PolarHBondContact O-N 3.39Å; F206-A209 WeakPolarHBondContact O-CB 3.39Å; F206-A209 PolarHBondContact O-N 3.31Å; A207-A209 VanDerWaalsContact C-N 3.28Å; A207-A209 PolarHBondContact O-N 3.14Å
210L86.4Confident78.3Confident99 Ų9973 Ų7352%0.51842%0.415SS..Hα-helixtrans-88.1-18.7175.4-61.8-178.8000113.1F206 A207 R208 C212 P261F206-L210 HydrophobicContact CD1-CD1 4.07Å; F206-L210 HydrophobicContact CE1-CD1 3.5Å; F206-L210 VanDerWaalsContact CE1-CD1 3.5Å; F206-L210 HydrophobicContact CE1-CG 4.27Å; F206-L210 HydrophobicContact CE2-CD1 4.35Å; F206-L210 HydrophobicContact CE2-CD2 4.28Å; F206-L210 HydrophobicContact CE2-CG 4.3Å; F206-L210 HydrophobicContact CZ-CD1 3.66Å; F206-L210 HydrophobicContact CZ-CD2 4.15Å; F206-L210 HydrophobicContact CZ-CG 4.09Å; F206-L210 PolarHBondContact O-N 3.26Å; A207-L210 PolarHBondContact O-N 3.15Å; A207-L210 VanDerWaalsContact O-N 3.12Å; R208-L210 VanDerWaalsContact C-N 3.29Å; L210-C212 PolarHBondContact O-N 2.79Å; L210-C212 VanDerWaalsContact O-N 3.11Å; L210-P261 HydrophobicContact CD1-CG 4.08Å
211D78.8Confident77.8Confident38 Ų3879.5 Ų79.520%0.20345%0.448CS..  trans-80.689.1-179.4-170.510000112.1A207 R208 S213 S214 L263A207-D211 PolarHBondContact O-N 2.95Å; R208-D211 PolarHBondContact O-N 3.38Å; D211-S213 PolarHBondContact O-N 3.41Å; D211-S213 VanDerWaalsContact OD1-CB 3.28Å; D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 2.68Å; D211-S213 PolarHBondContact OD1-OG 2.77Å; D211-S214 PolarHBondContact O-OG 3.39Å; D211-S214 VanDerWaalsContact O-OG 3.12Å; D211-L263 HydrophobicContact CB-CD2 4.27Å; D211-L263 WeakPolarHBondContact OD2-CD2 3.4Å
212C64.2Low77.5Confident118 Ų11882.6 Ų82.680%0.79747%0.466SS*.THydrogen-bonded Turntrans-76.7-2.8174.2-66.10000113.6L210L210-C212 PolarHBondContact O-N 2.79Å; L210-C212 VanDerWaalsContact O-N 3.11Å
213S60.5Low77.1Confident97 Ų9785.7 Ų85.768%0.67847%0.472SS*.THydrogen-bonded Turntrans-81.6-21-175.677.20000113.4D211 S215D211-S213 PolarHBondContact O-N 3.41Å; D211-S213 VanDerWaalsContact OD1-CB 3.28Å; D211-S213 WeakPolarHBondContact OD1-CB 3.26Å; D211-S213 PolarHBondContact OD1-N 2.68Å; D211-S213 PolarHBondContact OD1-OG 2.77Å; S213-S215 PolarHBondContact O-N 3.15Å
214S55.4Low76.8Confident50 Ų5085.1 Ų85.135%0.3547%0.469SS..  trans-70.995.3172.231.80000111.1D211 V216D211-S214 PolarHBondContact O-OG 3.39Å; D211-S214 VanDerWaalsContact O-OG 3.12Å; S214-V216 PolarHBondContact O-N 3.49Å
215S48.4Very low76.7Confident118 Ų11886.6 Ų86.683%0.82548%0.481SS*.  trans-66.75.8-179.459.10000115.5S213S213-S215 PolarHBondContact O-N 3.15Å
216V50.8Low76.7Confident74 Ų7487.8 Ų87.845%0.44849%0.493SS..SBendtrans-108.4100.9178.1-176.80000108S214 A273S214-V216 PolarHBondContact O-N 3.49Å; V216-A273 HydrophobicContact CG2-CB 4.09Å
217R53.4Low76.7Confident228 Ų22882.9 Ų82.986%0.8648%0.475SS*.  trans34.7111.3167.2-68179.8178.3-177.2-0.8114.5P219R217-P219 WeakPolarHBondContact O-CA 3.47Å; R217-P219 WeakPolarHBondContact O-CD 3.34Å
218Q57.5Low76.8Confident183 Ų18382.6 Ų82.686%0.85547%0.472SS*.  trans-36.6106.1168.6-74.4-155.2-31.800110.3S220Q218-S220 PolarHBondContact O-N 2.84Å
219P67.3Low77.2Confident54 Ų5484.1 Ų84.135%0.35149%0.485SS..  trans-65.6137.7-170.5-1.76.7000106.9R217 M223 S224R217-P219 WeakPolarHBondContact O-CA 3.47Å; R217-P219 WeakPolarHBondContact O-CD 3.34Å; P219-M223 HydrophobicContact CB-CB 3.95Å; P219-S224 WeakPolarHBondContact CB-OG 3.44Å
220S81.5Confident77.6Confident65 Ų6583.8 Ų83.846%0.45547%0.469SS..  trans-53.3151.2172.568.60000109.2Q218 H222 M223 S224Q218-S220 PolarHBondContact O-N 2.84Å; S220-H222 PolarHBondContact O-N 2.85Å; S220-M223 WeakPolarHBondContact O-CA 3.38Å; S220-M223 WeakPolarHBondContact O-CB 3.42Å; S220-M223 PolarHBondContact O-N 3.07Å; S220-M223 WeakPolarHBondContact OG-CG 3.38Å; S220-M223 PolarHBondContact OG-N 3.24Å; S220-S224 PolarHBondContact O-N 2.84Å
221L87.9Confident78.2Confident141 Ų14184 Ų8474%0.73847%0.47SS*.Hα-helixtrans-47.9-42179.9177.762.3000112.4T205 S224 A225T205-L221 HydrophobicContact CG2-CD1 4.35Å; L221-S224 PolarHBondContact O-N 2.72Å; L221-A225 WeakPolarHBondContact O-CB 3.28Å; L221-A225 PolarHBondContact O-N 3.01Å
222H89.3Confident79.1Confident153 Ų15384.9 Ų84.971%0.70848%0.475SS*.Hα-helixtrans-66.8-36178.5-167.5-67.7000112.9S220 A226S220-H222 PolarHBondContact O-N 2.85Å; H222-A226 VanDerWaalsContact O-CB 3.28Å; H222-A226 WeakPolarHBondContact O-CB 3.3Å; H222-A226 PolarHBondContact O-N 2.95Å
223M88.8Confident80.7Confident122 Ų12279.7 Ų79.760%0.60144%0.439SS*.Hα-helixtrans-69.2-43.6175.4-72.8179.971.700111.7P219 S220 A225 A226 A227P219-M223 HydrophobicContact CB-CB 3.95Å; S220-M223 WeakPolarHBondContact O-CA 3.38Å; S220-M223 WeakPolarHBondContact O-CB 3.42Å; S220-M223 PolarHBondContact O-N 3.07Å; S220-M223 WeakPolarHBondContact OG-CG 3.38Å; S220-M223 PolarHBondContact OG-N 3.24Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.83Å; M223-A226 PolarHBondContact O-N 3.11Å; M223-A227 WeakPolarHBondContact O-CB 3.48Å; M223-A227 PolarHBondContact O-N 3.4Å
224S90.9Very high82.4Confident9 Ų977.1 Ų77.16%0.06342%0.418CS..Hα-helixtrans-62.9-41.4175.9-610000111.8P219 S220 L221 A227 A228P219-S224 WeakPolarHBondContact CB-OG 3.44Å; S220-S224 PolarHBondContact O-N 2.84Å; L221-S224 PolarHBondContact O-N 2.72Å; S224-A227 PolarHBondContact O-N 2.79Å; S224-A228 WeakPolarHBondContact O-CB 3.44Å; S224-A228 PolarHBondContact O-N 2.77Å
225A93.6Very high84.5Confident35 Ų3582 Ų8229%0.28943%0.433SS..Hα-helixtrans-65.5-40.7175.900000112.3T205 L221 M223 S229T205-A225 HydrophobicContact CG2-CB 4.31Å; L221-A225 WeakPolarHBondContact O-CB 3.28Å; L221-A225 PolarHBondContact O-N 3.01Å; M223-A225 VanDerWaalsContact C-N 3.34Å; M223-A225 PolarHBondContact O-N 2.83Å; A225-S229 WeakPolarHBondContact O-CB 3.07Å; A225-S229 PolarHBondContact O-N 2.79Å; A225-S229 PolarHBondContact O-OG 2.9Å
226A93.4Very high86.8Confident49 Ų4978.9 Ų78.941%0.40541%0.405SS..Hα-helixtrans-65.1-42.9175.400000111.8H222 M223 S229 R230H222-A226 VanDerWaalsContact O-CB 3.28Å; H222-A226 WeakPolarHBondContact O-CB 3.3Å; H222-A226 PolarHBondContact O-N 2.95Å; M223-A226 PolarHBondContact O-N 3.11Å; A226-S229 PolarHBondContact O-N 3.16Å; A226-S229 VanDerWaalsContact O-N 3.13Å; A226-R230 PolarHBondContact O-N 3.4Å
227A92.6Very high89.1Confident17 Ų1775.3 Ų75.314%0.1438%0.384CS..Hα-helixtrans-62.1-46.9176.300000111.9M223 S224 S229 R230M223-A227 WeakPolarHBondContact O-CB 3.48Å; M223-A227 PolarHBondContact O-N 3.4Å; S224-A227 PolarHBondContact O-N 2.79Å; A227-S229 PolarHBondContact O-N 3.14Å; A227-R230 WeakPolarHBondContact O-CB 3.03Å; A227-R230 WeakPolarHBondContact O-CG 3.28Å; A227-R230 PolarHBondContact O-N 2.68Å; A227-R230 VanDerWaalsContact O-N 3.13Å
228A95.4Very high91.2Very high0 Ų066.9 Ų66.90%035%0.354CS..Hα-helixtrans-64.4-21.4174.400000113.4R201 T205 S224 R230 T233R201-A228 WeakPolarHBondContact O-CB 3.2Å; T205-A228 WeakPolarHBondContact OG1-CB 3.49Å; S224-A228 WeakPolarHBondContact O-CB 3.44Å; S224-A228 PolarHBondContact O-N 2.77Å; A228-R230 VanDerWaalsContact C-N 3.33Å; A228-T233 WeakPolarHBondContact O-CB 3.42Å; A228-T233 WeakPolarHBondContact O-CG2 3.44Å; A228-T233 PolarHBondContact O-OG1 2.76Å
229S97.3Very high93.1Very high45 Ų4559.6 Ų59.632%0.31532%0.321SS..THydrogen-bonded Turntrans-85.60176.9-59.40000114.1R201 A225 A226 A227R201-S229 WeakPolarHBondContact CD-OG 3.43Å; A225-S229 WeakPolarHBondContact O-CB 3.07Å; A225-S229 PolarHBondContact O-N 2.79Å; A225-S229 PolarHBondContact O-OG 2.9Å; A226-S229 PolarHBondContact O-N 3.16Å; A226-S229 VanDerWaalsContact O-N 3.13Å; A227-S229 PolarHBondContact O-N 3.14Å
230R96.4Very high94.5Very high64 Ų6457.2 Ų57.224%0.24231%0.306CS..SBendtrans-70.9154.6177.6-66.2175.162.572.47.4111.6A226 A227 A228 I232 T233 D266 M312A226-R230 PolarHBondContact O-N 3.4Å; A227-R230 WeakPolarHBondContact O-CB 3.03Å; A227-R230 WeakPolarHBondContact O-CG 3.28Å; A227-R230 PolarHBondContact O-N 2.68Å; A227-R230 VanDerWaalsContact O-N 3.13Å; A228-R230 VanDerWaalsContact C-N 3.33Å; R230-I232 PolarHBondContact O-N 3.17Å; R230-I232 VanDerWaalsContact O-N 3.1Å; R230-T233 PolarHBondContact O-N 2.95Å; R230-D266 IonicContact CZ-OD1 3.22Å; R230-D266 IonicContact CZ-OD2 2.68Å; R230-D266 IonicContact NE-OD1 2.8Å; R230-D266 PolarHBondContact NE-OD1 3.22Å; R230-D266 IonicContact NE-OD2 3.36Å; R230-D266 PolarHBondContact NE-OD2 3.36Å; R230-D266 IonicContact NH2-OD1 3.1Å; R230-D266 IonicContact NH2-OD2 3.21Å; R230-D266 PolarHBondContact NH2-OD2 2.8Å; R230-M312 PolarHBondContact NH2-SD 2.86Å
231D97.9Very high95.3Very high103 Ų10354.1 Ų54.155%0.55128%0.284SS*.Hα-helixtrans-56.8-32.3-170.7-61.7-30.7000113.9T233 L234 F235D231-T233 PolarHBondContact O-N 2.96Å; D231-L234 PolarHBondContact O-N 3.05Å; D231-F235 HydrophobicContact CB-CD2 4Å; D231-F235 HydrophobicContact CB-CE2 3.94Å; D231-F235 WeakPolarHBondContact O-CB 3.41Å; D231-F235 VanDerWaalsContact O-CD2 3.22Å; D231-F235 WeakPolarHBondContact O-CD2 3.43Å; D231-F235 PolarHBondContact O-N 3.21Å
232I97.7Very high95.8Very high58 Ų5850.5 Ų50.530%0.29726%0.261SS..Hα-helixtrans-56.9-38177-168172.4000112.4R230 H236 C264 R265 D266R230-I232 PolarHBondContact O-N 3.17Å; R230-I232 VanDerWaalsContact O-N 3.1Å; I232-H236 VanDerWaalsContact O-CB 3.3Å; I232-H236 WeakPolarHBondContact O-CB 3.07Å; I232-H236 PolarHBondContact O-N 3.25Å; I232-C264 HydrophobicContact CG1-CB 4.39Å; I232-C264 HydrophobicContact CG2-CB 4.34Å; I232-R265 WeakPolarHBondContact CD1-O 3.13Å; I232-D266 HydrophobicContact CB-CB 4.32Å; I232-D266 HydrophobicContact CD1-CB 4.02Å; I232-D266 HydrophobicContact CG2-CB 4.1Å
233T97.7Very high96.1Very high8 Ų851 Ų515%0.04926%0.257CS..Hα-helixtrans-72.1-38.8177.3-54.40000110.7A228 R230 D231 A237A228-T233 WeakPolarHBondContact O-CB 3.42Å; A228-T233 WeakPolarHBondContact O-CG2 3.44Å; A228-T233 PolarHBondContact O-OG1 2.76Å; R230-T233 PolarHBondContact O-N 2.95Å; D231-T233 PolarHBondContact O-N 2.96Å; T233-A237 WeakPolarHBondContact O-CB 3.33Å; T233-A237 PolarHBondContact O-N 2.81Å
234L98Very high96.5Very high44 Ų4447.8 Ų47.823%0.2324%0.24CC..Hα-helixtrans-68-45.6178.3-59179.6000111.5L197 R201 D231 H236 A237 M238L197-L234 HydrophobicContact CB-CD2 4.3Å; L197-L234 HydrophobicContact CD2-CD2 4.24Å; R201-L234 HydrophobicContact CG-CD2 4.05Å; D231-L234 PolarHBondContact O-N 3.05Å; L234-H236 VanDerWaalsContact C-N 3.34Å; L234-H236 PolarHBondContact O-N 3.38Å; L234-A237 WeakPolarHBondContact O-CB 3.48Å; L234-A237 PolarHBondContact O-N 3.34Å; L234-A237 VanDerWaalsContact O-N 3.16Å; L234-M238 VanDerWaalsContact O-CG 3.32Å; L234-M238 WeakPolarHBondContact O-CG 3.4Å; L234-M238 PolarHBondContact O-N 3.47Å
235F98.1Very high96.7Very high153 Ų15352.1 Ų52.167%0.67127%0.271SS*.Hα-helixtrans-61.3-43.6175.2-80.1-59.6000111.5D231 A237 M238 D239D231-F235 HydrophobicContact CB-CD2 4Å; D231-F235 HydrophobicContact CB-CE2 3.94Å; D231-F235 WeakPolarHBondContact O-CB 3.41Å; D231-F235 VanDerWaalsContact O-CD2 3.22Å; D231-F235 WeakPolarHBondContact O-CD2 3.43Å; D231-F235 PolarHBondContact O-N 3.21Å; F235-A237 VanDerWaalsContact C-N 3.3Å; F235-A237 PolarHBondContact O-N 3Å; F235-M238 PolarHBondContact O-N 3.22Å; F235-D239 VanDerWaalsContact O-CB 3.23Å; F235-D239 WeakPolarHBondContact O-CB 3.46Å; F235-D239 PolarHBondContact O-N 3.46Å
236H97.8Very high96.9Very high51 Ų5151.5 Ų51.524%0.23626%0.261CS..Hα-helixtrans-59.2-41.9173.9179.662.9000112I232 L234 T240 C264I232-H236 VanDerWaalsContact O-CB 3.3Å; I232-H236 WeakPolarHBondContact O-CB 3.07Å; I232-H236 PolarHBondContact O-N 3.25Å; L234-H236 VanDerWaalsContact C-N 3.34Å; L234-H236 PolarHBondContact O-N 3.38Å; H236-T240 WeakPolarHBondContact O-CB 3.36Å; H236-T240 PolarHBondContact O-N 3.47Å; H236-T240 PolarHBondContact O-OG1 3.43Å; H236-C264 PolarHBondContact CD2-SG 3.02Å; H236-C264 VanDerWaalsContact CG-SG 3.57Å
237A97.9Very high97.1Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-64.5-45177.100000112.4F196 L197 A200 T233 L234 F235 T240 L241F196-A237 HydrophobicContact CD1-CB 4.26Å; F196-A237 HydrophobicContact CE1-CB 3.89Å; F196-A237 WeakPolarHBondContact CE1-O 3.43Å; L197-A237 HydrophobicContact CD2-CB 3.65Å; A200-A237 HydrophobicContact CB-CB 3.59Å; T233-A237 WeakPolarHBondContact O-CB 3.33Å; T233-A237 PolarHBondContact O-N 2.81Å; L234-A237 WeakPolarHBondContact O-CB 3.48Å; L234-A237 PolarHBondContact O-N 3.34Å; L234-A237 VanDerWaalsContact O-N 3.16Å; F235-A237 VanDerWaalsContact C-N 3.3Å; F235-A237 PolarHBondContact O-N 3Å; A237-T240 WeakPolarHBondContact O-CB 3.15Å; A237-T240 PolarHBondContact O-N 3.01Å; A237-L241 PolarHBondContact O-N 3.42Å
238M97.9Very high97.2Very high50 Ų5054.3 Ų54.325%0.24627%0.267CS..Hα-helixtrans-63.2-43.7177.7-66.5-63.6-80.700112.1W182 I193 L197 L234 F235 T240 L241 Y242W182-M238 HydrophobicContact CD2-CE 3.98Å; W182-M238 HydrophobicContact CE3-CB 4.19Å; W182-M238 HydrophobicContact CE3-CE 3.78Å; W182-M238 HydrophobicContact CH2-CE 3.25Å; W182-M238 HydrophobicContact CH2-SD 3.91Å; W182-M238 HydrophobicContact CZ2-CE 3.49Å; W182-M238 VanDerWaalsContact CZ2-CE 3.49Å; W182-M238 HydrophobicContact CZ3-CB 4.13Å; W182-M238 HydrophobicContact CZ3-CE 3.4Å; W182-M238 WeakPolarHBondContact CZ3-O 3.46Å; W182-M238 HydrophobicContact CZ3-SD 3.84Å; I193-M238 HydrophobicContact CG2-CE 4.15Å; I193-M238 HydrophobicContact CG2-SD 3.73Å; L197-M238 HydrophobicContact CD1-SD 4.26Å; L197-M238 HydrophobicContact CD2-CG 4.1Å; L197-M238 HydrophobicContact CD2-SD 3.91Å; L197-M238 HydrophobicContact CG-SD 4.39Å; L234-M238 VanDerWaalsContact O-CG 3.32Å; L234-M238 WeakPolarHBondContact O-CG 3.4Å; L234-M238 PolarHBondContact O-N 3.47Å; F235-M238 PolarHBondContact O-N 3.22Å; M238-T240 VanDerWaalsContact C-N 3.32Å; M238-T240 PolarHBondContact O-N 2.92Å; M238-L241 WeakPolarHBondContact O-CB 3.4Å; M238-L241 PolarHBondContact O-N 2.98Å; M238-L241 HydrophobicContact SD-CD1 4.42Å; M238-Y242 PolarHBondContact O-N 3.31Å; M238-Y242 VanDerWaalsContact O-N 3.11Å
239D97.7Very high97.2Very high30 Ų3058.6 Ų58.616%0.1630%0.297CS..Hα-helixtrans-64-37.6174.917359.4000111.6F235 Y242 R243F235-D239 VanDerWaalsContact O-CB 3.23Å; F235-D239 WeakPolarHBondContact O-CB 3.46Å; F235-D239 PolarHBondContact O-N 3.46Å; D239-Y242 PolarHBondContact O-N 3.41Å; D239-R243 WeakPolarHBondContact O-CB 3.46Å; D239-R243 WeakPolarHBondContact O-CG 3.33Å; D239-R243 PolarHBondContact O-N 2.94Å; D239-R243 IonicContact OD1-CZ 3.4Å; D239-R243 IonicContact OD1-NE 2.77Å; D239-R243 PolarHBondContact OD1-NE 3.12Å; D239-R243 IonicContact OD1-NH1 3.79Å; D239-R243 IonicContact OD1-NH2 3.47Å; D239-R243 PolarHBondContact OD1-NH2 3.19Å; D239-R243 IonicContact OD2-CZ 2.83Å; D239-R243 IonicContact OD2-NE 2.72Å; D239-R243 IonicContact OD2-NH1 2.69Å; D239-R243 PolarHBondContact OD2-NH1 3.01Å; D239-R243 IonicContact OD2-NH2 3.29Å; D239-R243 PolarHBondContact OD2-NH2 3.12Å
240T97.5Very high97.1Very high5 Ų558.3 Ų58.33%0.03130%0.295CS..Hα-helixtrans-63.1-44.5173.7-58.60000111.4F196 H236 A237 M238 Y242 R243 H244 A251 V254F196-T240 HydrophobicContact CZ-CG2 4.43Å; H236-T240 WeakPolarHBondContact O-CB 3.36Å; H236-T240 PolarHBondContact O-N 3.47Å; H236-T240 PolarHBondContact O-OG1 3.43Å; A237-T240 WeakPolarHBondContact O-CB 3.15Å; A237-T240 PolarHBondContact O-N 3.01Å; M238-T240 VanDerWaalsContact C-N 3.32Å; M238-T240 PolarHBondContact O-N 2.92Å; T240-Y242 VanDerWaalsContact C-N 3.35Å; T240-Y242 PolarHBondContact O-N 3.4Å; T240-R243 PolarHBondContact O-N 3.45Å; T240-H244 WeakPolarHBondContact O-CB 3.41Å; T240-H244 PolarHBondContact O-CD2 3.47Å; T240-H244 PolarHBondContact O-N 3.47Å; T240-H244 VanDerWaalsContact O-N 3.09Å; T240-A251 HydrophobicContact CG2-CB 4.14Å; T240-V254 HydrophobicContact CG2-CB 4.31Å; T240-V254 HydrophobicContact CG2-CG1 4.26Å
241L97.6Very high97.1Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-57-48.7174.7-74.4174.3000111.5W182 L188 I193 F196 A237 M238 H244 S245 Y246 L248 A251W182-L241 HydrophobicContact CH2-CD1 4.27Å; W182-L241 HydrophobicContact CZ3-CB 4.07Å; W182-L241 HydrophobicContact CZ3-CD1 4.23Å; L188-L241 HydrophobicContact CD1-CD1 4.43Å; L188-L241 HydrophobicContact CD1-CD2 4.05Å; I193-L241 HydrophobicContact CG2-CD1 4.31Å; F196-L241 HydrophobicContact CB-CD1 4.4Å; F196-L241 HydrophobicContact CB-CD2 4.41Å; F196-L241 HydrophobicContact CD1-CD1 3.63Å; F196-L241 HydrophobicContact CD1-CD2 3.68Å; F196-L241 HydrophobicContact CD1-CG 3.53Å; F196-L241 HydrophobicContact CD2-CD2 3.89Å; F196-L241 HydrophobicContact CE1-CD1 4.17Å; F196-L241 HydrophobicContact CE1-CD2 3.82Å; F196-L241 HydrophobicContact CE1-CG 3.59Å; F196-L241 HydrophobicContact CE2-CD2 4.01Å; F196-L241 HydrophobicContact CG-CD1 4.15Å; F196-L241 HydrophobicContact CG-CD2 3.72Å; F196-L241 HydrophobicContact CG-CG 4.09Å; F196-L241 HydrophobicContact CZ-CD2 3.98Å; F196-L241 HydrophobicContact CZ-CG 4.18Å; A237-L241 PolarHBondContact O-N 3.42Å; M238-L241 WeakPolarHBondContact O-CB 3.4Å; M238-L241 PolarHBondContact O-N 2.98Å; M238-L241 HydrophobicContact SD-CD1 4.42Å; L241-H244 CarbonylContact O-C 3.49Å; L241-H244 PolarHBondContact O-N 3.36Å; L241-S245 PolarHBondContact O-N 2.84Å; L241-Y246 HydrophobicContact CB-CD1 4.22Å; L241-Y246 HydrophobicContact CB-CE1 4.46Å; L241-Y246 WeakPolarHBondContact O-CA 3.46Å; L241-Y246 PolarHBondContact O-N 3.26Å; L241-L248 HydrophobicContact CD2-CD2 3.76Å; L241-A251 HydrophobicContact CD2-CB 4.08Å
242Y97.3Very high97Very high65 Ų6554 Ų5426%0.25528%0.276SS..Hα-helixtrans-64-48.2-179.1174.2-103.6000112.5K180 V181 D183 M238 D239 T240 H244 S245 Y246K180-Y242 WeakPolarHBondContact CB-OH 3.47Å; K180-Y242 HydrophobicContact CD-CE2 4.22Å; K180-Y242 HydrophobicContact CG-CE2 4.12Å; K180-Y242 WeakPolarHBondContact CG-OH 3.28Å; K180-Y242 WeakPolarHBondContact O-CE1 3.47Å; K180-Y242 PolarHBondContact O-OH 2.84Å; V181-Y242 WeakPolarHBondContact O-CB 3.4Å; V181-Y242 WeakPolarHBondContact O-CD1 3.32Å; D183-Y242 HydrophobicContact CB-CD2 4.48Å; D183-Y242 HydrophobicContact CB-CE2 4.4Å; M238-Y242 PolarHBondContact O-N 3.31Å; M238-Y242 VanDerWaalsContact O-N 3.11Å; D239-Y242 PolarHBondContact O-N 3.41Å; T240-Y242 VanDerWaalsContact C-N 3.35Å; T240-Y242 PolarHBondContact O-N 3.4Å; Y242-H244 PolarHBondContact O-N 3.38Å; Y242-S245 PolarHBondContact O-N 2.95Å; Y242-Y246 HydrophobicContact CD2-CE2 4.05Å; Y242-Y246 AromaticContact CD2-CZ 3.94Å; Y242-Y246 WeakPolarHBondContact CD2-OH 3.37Å
243R96.8Very high96.9Very high164 Ų16454.6 Ų54.662%0.61929%0.285SS*.Hα-helixtrans-61.2-28.4179.2-74.5-172.7-176.1133.716113.2D239 T240 S245D239-R243 WeakPolarHBondContact O-CB 3.46Å; D239-R243 WeakPolarHBondContact O-CG 3.33Å; D239-R243 PolarHBondContact O-N 2.94Å; D239-R243 IonicContact OD1-CZ 3.4Å; D239-R243 IonicContact OD1-NE 2.77Å; D239-R243 PolarHBondContact OD1-NE 3.12Å; D239-R243 IonicContact OD1-NH1 3.79Å; D239-R243 IonicContact OD1-NH2 3.47Å; D239-R243 PolarHBondContact OD1-NH2 3.19Å; D239-R243 IonicContact OD2-CZ 2.83Å; D239-R243 IonicContact OD2-NE 2.72Å; D239-R243 IonicContact OD2-NH1 2.69Å; D239-R243 PolarHBondContact OD2-NH1 3.01Å; D239-R243 IonicContact OD2-NH2 3.29Å; D239-R243 PolarHBondContact OD2-NH2 3.12Å; T240-R243 PolarHBondContact O-N 3.45Å; R243-S245 VanDerWaalsContact C-N 3.29Å
244H96.6Very high96.7Very high53 Ų5356.7 Ų56.725%0.24530%0.298CS..THydrogen-bonded Turntrans-95.423.2177.1-71.4-86.7000112.9T240 L241 Y242 Y246 D247 S250 A251 V254T240-H244 WeakPolarHBondContact O-CB 3.41Å; T240-H244 PolarHBondContact O-CD2 3.47Å; T240-H244 PolarHBondContact O-N 3.47Å; T240-H244 VanDerWaalsContact O-N 3.09Å; L241-H244 CarbonylContact O-C 3.49Å; L241-H244 PolarHBondContact O-N 3.36Å; Y242-H244 PolarHBondContact O-N 3.38Å; H244-Y246 PolarHBondContact O-N 3.48Å; H244-Y246 VanDerWaalsContact O-N 3.09Å; H244-D247 PolarHBondContact O-N 2.78Å; H244-S250 PolarHBondContact ND1-OG 2.88Å; H244-A251 HydrophobicContact CB-CB 4.17Å; H244-V254 VanDerWaalsContact CE1-CG2 3.48Å; H244-V254 WeakPolarHBondContact CE1-CG2 3.3Å
245S96.3Very high96.6Very high101 Ų10154.9 Ų54.971%0.70629%0.288SS*.THydrogen-bonded Turntrans53.333.3175.8-55.10000113.1L241 Y242 R243 D247L241-S245 PolarHBondContact O-N 2.84Å; Y242-S245 PolarHBondContact O-N 2.95Å; R243-S245 VanDerWaalsContact C-N 3.29Å; S245-D247 PolarHBondContact O-N 2.96Å
246Y97.1Very high96.3Very high21 Ų2151.2 Ų51.28%0.08228%0.278CS..THydrogen-bonded Turntrans62.615.9-178-56.4-78.5000115.6W182 D183 P187 L188 L241 Y242 H244 L248W182-Y246 HydrophobicContact CE3-CE1 4.06Å; W182-Y246 HydrophobicContact CH2-CD1 4.47Å; W182-Y246 AromaticContact CH2-CE1 3.69Å; W182-Y246 HydrophobicContact CH2-CE1 3.69Å; W182-Y246 HydrophobicContact CZ2-CE1 4.14Å; W182-Y246 AromaticContact CZ3-CE1 3.65Å; W182-Y246 HydrophobicContact CZ3-CE1 3.65Å; D183-Y246 WeakPolarHBondContact CA-OH 3.14Å; D183-Y246 HydrophobicContact CB-CE2 3.88Å; D183-Y246 WeakPolarHBondContact CB-OH 3.47Å; D183-Y246 PolarHBondContact N-OH 3.41Å; D183-Y246 PolarHBondContact O-OH 2.9Å; P187-Y246 HydrophobicContact CG-CG 4.34Å; L188-Y246 HydrophobicContact CD1-CD1 3.98Å; L188-Y246 HydrophobicContact CG-CD1 4.46Å; L241-Y246 HydrophobicContact CB-CD1 4.22Å; L241-Y246 HydrophobicContact CB-CE1 4.46Å; L241-Y246 WeakPolarHBondContact O-CA 3.46Å; L241-Y246 PolarHBondContact O-N 3.26Å; Y242-Y246 HydrophobicContact CD2-CE2 4.05Å; Y242-Y246 AromaticContact CD2-CZ 3.94Å; Y242-Y246 WeakPolarHBondContact CD2-OH 3.37Å; H244-Y246 PolarHBondContact O-N 3.48Å; H244-Y246 VanDerWaalsContact O-N 3.09Å; Y246-L248 PolarHBondContact O-N 3.08Å
247D96.9Very high96Very high80 Ų8051.6 Ų51.643%0.42829%0.286SS..  trans-77106.7169.7176.117.7000110.4H244 S245 S249 S250 A251H244-D247 PolarHBondContact O-N 2.78Å; S245-D247 PolarHBondContact O-N 2.96Å; D247-S249 VanDerWaalsContact C-N 3.26Å; D247-S249 PolarHBondContact O-N 3.02Å; D247-S249 PolarHBondContact OD1-N 3.41Å; D247-S250 PolarHBondContact O-N 3.12Å; D247-S250 WeakPolarHBondContact OD2-CB 3.49Å; D247-S250 PolarHBondContact OD2-N 2.66Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.5Å; D247-A251 PolarHBondContact O-N 3.34Å
248L95.7Very high95.3Very high45 Ų4560.9 Ų60.924%0.23633%0.334CS..Hα-helixtrans-57.3-37.8179-67.2175000112.5L188 Q192 F196 L241 Y246 A251 I252L188-L248 HydrophobicContact CD1-CD2 3.97Å; L188-L248 HydrophobicContact CD1-CG 4.43Å; L188-L248 HydrophobicContact CD2-CD1 4.12Å; L188-L248 HydrophobicContact CD2-CD2 4.35Å; L188-L248 HydrophobicContact CD2-CG 3.98Å; Q192-L248 HydrophobicContact CB-CD1 4.33Å; Q192-L248 HydrophobicContact CG-CD1 4.48Å; F196-L248 HydrophobicContact CB-CD2 4.09Å; F196-L248 HydrophobicContact CD2-CD2 3.92Å; F196-L248 HydrophobicContact CG-CD2 4.25Å; L241-L248 HydrophobicContact CD2-CD2 3.76Å; Y246-L248 PolarHBondContact O-N 3.08Å; L248-A251 PolarHBondContact O-N 2.9Å; L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 WeakPolarHBondContact O-CD1 3.26Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 2.87Å
249S95.3Very high94.4Very high90 Ų9062.5 Ų62.563%0.62936%0.364SS*.Hα-helixtrans-68.3-47.5-177.5-174.10000110.7D247 S253D247-S249 VanDerWaalsContact C-N 3.26Å; D247-S249 PolarHBondContact O-N 3.02Å; D247-S249 PolarHBondContact OD1-N 3.41Å; S249-S253 PolarHBondContact O-N 3.09Å
250S96Very high93.9Very high40 Ų4062.5 Ų62.528%0.2837%0.37SS..Hα-helixtrans-61.1-46.8174.2-172.20000111.3H244 D247 I252 S253 V254H244-S250 PolarHBondContact ND1-OG 2.88Å; D247-S250 PolarHBondContact O-N 3.12Å; D247-S250 WeakPolarHBondContact OD2-CB 3.49Å; D247-S250 PolarHBondContact OD2-N 2.66Å; S250-I252 PolarHBondContact O-N 2.8Å; S250-S253 PolarHBondContact O-N 3.26Å; S250-S253 PolarHBondContact O-OG 2.98Å; S250-V254 PolarHBondContact O-N 2.97Å
251A96.4Very high93.7Very high0 Ų063.5 Ų63.50%038%0.377CS..Hα-helixtrans-61.5-41.5-17900000112.9F196 T240 L241 H244 D247 L248 S253 V254 L255F196-A251 HydrophobicContact CE2-CB 3.6Å; F196-A251 HydrophobicContact CZ-CB 3.67Å; T240-A251 HydrophobicContact CG2-CB 4.14Å; L241-A251 HydrophobicContact CD2-CB 4.08Å; H244-A251 HydrophobicContact CB-CB 4.17Å; D247-A251 VanDerWaalsContact O-CB 3.29Å; D247-A251 WeakPolarHBondContact O-CB 3.5Å; D247-A251 PolarHBondContact O-N 3.34Å; L248-A251 PolarHBondContact O-N 2.9Å; A251-S253 VanDerWaalsContact C-N 3.33Å; A251-S253 PolarHBondContact O-N 2.71Å; A251-V254 PolarHBondContact O-N 3.38Å; A251-L255 PolarHBondContact O-N 3.13Å
252I95.4Very high93.5Very high75 Ų7565.5 Ų65.539%0.38539%0.389SS..Hα-helixtrans-63.6-39.5177-70.5167.5000111.1F196 L248 S250 V254 L255 V256F196-I252 HydrophobicContact CD2-CG1 4.01Å; F196-I252 HydrophobicContact CE2-CG1 3.75Å; L248-I252 WeakPolarHBondContact O-CB 3.43Å; L248-I252 WeakPolarHBondContact O-CD1 3.26Å; L248-I252 WeakPolarHBondContact O-CG1 3.4Å; L248-I252 PolarHBondContact O-N 2.87Å; S250-I252 PolarHBondContact O-N 2.8Å; I252-V254 PolarHBondContact O-N 3.07Å; I252-L255 WeakPolarHBondContact O-CB 3.46Å; I252-L255 PolarHBondContact O-N 2.76Å; I252-L255 VanDerWaalsContact O-N 3.08Å; I252-V256 PolarHBondContact O-N 3.29Å
253S94.3Very high93.2Very high71 Ų7165 Ų6550%0.49739%0.391SS..Hα-helixtrans-61-26.4179.776.40000113.2S249 S250 A251 V256S249-S253 PolarHBondContact O-N 3.09Å; S250-S253 PolarHBondContact O-N 3.26Å; S250-S253 PolarHBondContact O-OG 2.98Å; A251-S253 VanDerWaalsContact C-N 3.33Å; A251-S253 PolarHBondContact O-N 2.71Å; S253-V256 CarbonylContact O-C 3.34Å
254V95Very high93.1Very high52 Ų5258.1 Ų58.132%0.31537%0.367SS..Hα-helixtrans-83.3-24.2178.5175.40000112.6T240 H244 S250 A251 I252 V256 P257 V262T240-V254 HydrophobicContact CG2-CB 4.31Å; T240-V254 HydrophobicContact CG2-CG1 4.26Å; H244-V254 VanDerWaalsContact CE1-CG2 3.48Å; H244-V254 WeakPolarHBondContact CE1-CG2 3.3Å; S250-V254 PolarHBondContact O-N 2.97Å; A251-V254 PolarHBondContact O-N 3.38Å; I252-V254 PolarHBondContact O-N 3.07Å; V254-V256 PolarHBondContact O-N 2.74Å; V254-P257 WeakPolarHBondContact O-CD 3.49Å; V254-V262 WeakPolarHBondContact O-CG2 3.19Å
255L94.9Very high93Very high6 Ų659.4 Ų59.43%0.03137%0.37CS..Hα-helixtrans-70.4-24.1172.2-64.1178.5000111.9F196 A200 V203 A251 I252 P261 V262F196-L255 HydrophobicContact CE1-CD1 4.29Å; F196-L255 HydrophobicContact CE2-CD1 3.96Å; F196-L255 HydrophobicContact CZ-CD1 3.65Å; F196-L255 HydrophobicContact CZ-CG 4.23Å; A200-L255 HydrophobicContact CB-CD1 3.98Å; V203-L255 HydrophobicContact CG1-CB 4.29Å; V203-L255 WeakPolarHBondContact CG1-O 3.35Å; V203-L255 HydrophobicContact CG2-CB 4.44Å; A251-L255 PolarHBondContact O-N 3.13Å; I252-L255 WeakPolarHBondContact O-CB 3.46Å; I252-L255 PolarHBondContact O-N 2.76Å; I252-L255 VanDerWaalsContact O-N 3.08Å; L255-P261 WeakPolarHBondContact O-CA 3.47Å; L255-V262 PolarHBondContact O-N 3.25Å
256V93.1Very high93Very high76 Ų7655 Ų5546%0.46134%0.338SS..SBendtrans-131.769.8179.1-165.30000110.7V203 I252 S253 V254V203-V256 HydrophobicContact CG1-CG2 4.04Å; V203-V256 HydrophobicContact CG2-CG2 3.97Å; I252-V256 PolarHBondContact O-N 3.29Å; S253-V256 CarbonylContact O-C 3.34Å; V254-V256 PolarHBondContact O-N 2.74Å
257P90.4Very high92.9Very high60 Ų6055.7 Ų55.739%0.3934%0.342SS..  trans-65.2168.4175.728.9-35.5000111.3V254 G259 G260 V262V254-P257 WeakPolarHBondContact O-CD 3.49Å; P257-G259 PolarHBondContact O-N 3.16Å; P257-G260 WeakPolarHBondContact CD-O 3.48Å; P257-G260 VanDerWaalsContact CG-O 3.29Å; P257-G260 WeakPolarHBondContact CG-O 3.49Å; P257-G260 PolarHBondContact O-N 3.22Å; P257-V262 HydrophobicContact CG-CG2 4.34Å
258L82.8Confident92.8Very high195 Ų19553.8 Ų53.8100%1.02133%0.331SS*.THydrogen-bonded Turntrans-55.3-20.3-178.2-67.9170.8000114.4
259G79.8Confident92.6Very high84 Ų8454.2 Ų54.287%0.86633%0.332SS*.THydrogen-bonded Turntrans-87.7-2.1177.500000115.7P257P257-G259 PolarHBondContact O-N 3.16Å
260G87.2Confident92.4Very high29 Ų2954.1 Ų54.130%0.29932%0.322SS..  trans116.8170.8-176.700000113.3P257P257-G260 WeakPolarHBondContact CD-O 3.48Å; P257-G260 VanDerWaalsContact CG-O 3.29Å; P257-G260 WeakPolarHBondContact CG-O 3.49Å; P257-G260 PolarHBondContact O-N 3.22Å
261P93.6Very high92.2Very high26 Ų2653 Ų5317%0.16931%0.312CS..  trans-65.3146.2-176.430.5-38.5000112.8V203 F206 A207 L210 L255V203-P261 HydrophobicContact CG1-CB 3.58Å; F206-P261 HydrophobicContact CD1-CB 4.41Å; F206-P261 HydrophobicContact CD1-CG 3.92Å; F206-P261 HydrophobicContact CE1-CG 4.31Å; A207-P261 HydrophobicContact CB-CB 3.95Å; A207-P261 HydrophobicContact CB-CG 3.7Å; L210-P261 HydrophobicContact CD1-CG 4.08Å; L255-P261 WeakPolarHBondContact O-CA 3.47Å
262V92.9Very high92Very high43 Ų4354.9 Ų54.926%0.26132%0.324SS..  trans-69.1137.5178.4176.60000111.2V254 L255 P257V254-V262 WeakPolarHBondContact O-CG2 3.19Å; L255-V262 PolarHBondContact O-N 3.25Å; P257-V262 HydrophobicContact CG-CG2 4.34Å
263L92Very high91.7Very high55 Ų5553.9 Ų53.929%0.28833%0.328SS..  trans-119.4107.4178-177.562.3000111.1A207 R208 D211 R265A207-L263 HydrophobicContact CB-CB 4.13Å; A207-L263 HydrophobicContact CB-CD1 4.09Å; R208-L263 HydrophobicContact CG-CD1 3.4Å; D211-L263 HydrophobicContact CB-CD2 4.27Å; D211-L263 WeakPolarHBondContact OD2-CD2 3.4Å; L263-R265 HydrophobicContact CD1-CG 4.3Å; L263-R265 HydrophobicContact CD2-CG 4.45Å; L263-R265 HydrophobicContact CG-CG 4.09Å
264C94.6Very high91.6Very high19 Ų1954.2 Ų54.213%0.12833%0.33CS..  trans-98.2117.9173.5-54.90000109.8R208 I232 H236R208-C264 PolarHBondContact NH2-O 2.51Å; I232-C264 HydrophobicContact CG1-CB 4.39Å; I232-C264 HydrophobicContact CG2-CB 4.34Å; H236-C264 PolarHBondContact CD2-SG 3.02Å; H236-C264 VanDerWaalsContact CG-SG 3.57Å
265R93.8Very high91.7Very high80 Ų8053 Ų5330%0.30232%0.321SS..  trans-122.2132.9174.2-62-173.4-64.7148.95.8108.6I232 L263 E269 E270I232-R265 WeakPolarHBondContact CD1-O 3.13Å; L263-R265 HydrophobicContact CD1-CG 4.3Å; L263-R265 HydrophobicContact CD2-CG 4.45Å; L263-R265 HydrophobicContact CG-CG 4.09Å; R265-E269 HydrophobicContact CB-CB 4.29Å; R265-E269 HydrophobicContact CB-CG 4.45Å; R265-E269 HydrophobicContact CG-CG 4.2Å; R265-E270 HydrophobicContact CB-CB 4.37Å; R265-E270 IonicContact NH2-OE1 3.87Å
266D95.4Very high91.7Very high7 Ų753.7 Ų53.74%0.03733%0.327CS..  trans-86.3173.2168.554.632.3000110.2R230 I232 M268 E269 E270R230-D266 IonicContact CZ-OD1 3.22Å; R230-D266 IonicContact CZ-OD2 2.68Å; R230-D266 IonicContact NE-OD1 2.8Å; R230-D266 PolarHBondContact NE-OD1 3.22Å; R230-D266 IonicContact NE-OD2 3.36Å; R230-D266 PolarHBondContact NE-OD2 3.36Å; R230-D266 IonicContact NH2-OD1 3.1Å; R230-D266 IonicContact NH2-OD2 3.21Å; R230-D266 PolarHBondContact NH2-OD2 2.8Å; I232-D266 HydrophobicContact CB-CB 4.32Å; I232-D266 HydrophobicContact CD1-CB 4.02Å; I232-D266 HydrophobicContact CG2-CB 4.1Å; D266-M268 PolarHBondContact O-N 3.28Å; D266-M268 VanDerWaalsContact O-N 3.08Å; D266-M268 WeakPolarHBondContact OD1-CB 3.22Å; D266-M268 PolarHBondContact OD1-N 3Å; D266-E269 PolarHBondContact O-N 3.08Å; D266-E269 PolarHBondContact OD1-N 3.19Å; D266-E270 WeakPolarHBondContact O-CB 3.35Å; D266-E270 PolarHBondContact O-N 2.95Å
267E95.9Very high91.7Very high36 Ų3652.9 Ų52.917%0.16833%0.325CS..Hα-helixtrans-56.8-31.2-176.4-66.3-70.9175.500112.3E269 W271 S305 E308 Y309E267-E269 PolarHBondContact O-N 3.24Å; E267-W271 VanDerWaalsContact O-CG 3.31Å; E267-W271 PolarHBondContact O-N 3.01Å; E267-W271 PolarHBondContact OE2-NE1 3.24Å; E267-S305 WeakPolarHBondContact OE1-CB 3.47Å; E267-S305 WeakPolarHBondContact OE2-CB 3.45Å; E267-E308 HydrophobicContact CB-CG 4.4Å; E267-E308 HydrophobicContact CG-CB 4.21Å; E267-E308 HydrophobicContact CG-CG 4.19Å; E267-Y309 WeakPolarHBondContact O-CD2 3.42Å
268M93.7Very high92.1Very high40 Ų4052.4 Ų52.420%0.19732%0.319CS..Hα-helixtrans-61.3-45.1177.1169.557.3110.900112.5D266 Y309 M312 W313 T316D266-M268 PolarHBondContact O-N 3.28Å; D266-M268 VanDerWaalsContact O-N 3.08Å; D266-M268 WeakPolarHBondContact OD1-CB 3.22Å; D266-M268 PolarHBondContact OD1-N 3Å; M268-Y309 HydrophobicContact SD-CE2 4.09Å; M268-M312 HydrophobicContact CB-CB 3.74Å; M268-M312 HydrophobicContact CB-CG 4.32Å; M268-M312 HydrophobicContact CE-CB 4.42Å; M268-M312 HydrophobicContact CG-CB 4.38Å; M268-W313 VanDerWaalsContact CE-CA 3.5Å; M268-W313 HydrophobicContact CE-CB 4.28Å; M268-T316 HydrophobicContact CE-CG2 3.14Å
269E91.4Very high92.8Very high54 Ų5443.1 Ų43.125%0.25227%0.271SS..Hα-helixtrans-83.5-30.3-179.7-173.1-177.2175.400112.7R208 R265 D266 E267 W271R208-E269 IonicContact CZ-OE1 2.72Å; R208-E269 IonicContact CZ-OE2 2.71Å; R208-E269 IonicContact NE-OE1 2.68Å; R208-E269 PolarHBondContact NE-OE1 2.99Å; R208-E269 IonicContact NE-OE2 2.96Å; R208-E269 PolarHBondContact NE-OE2 3.28Å; R208-E269 IonicContact NH2-OE1 2.73Å; R208-E269 PolarHBondContact NH2-OE1 3.15Å; R208-E269 IonicContact NH2-OE2 2.81Å; R208-E269 PolarHBondContact NH2-OE2 2.88Å; R265-E269 HydrophobicContact CB-CB 4.29Å; R265-E269 HydrophobicContact CB-CG 4.45Å; R265-E269 HydrophobicContact CG-CG 4.2Å; D266-E269 PolarHBondContact O-N 3.08Å; D266-E269 PolarHBondContact OD1-N 3.19Å; E267-E269 PolarHBondContact O-N 3.24Å; E269-W271 VanDerWaalsContact C-N 3.35Å; E269-W271 PolarHBondContact O-N 3.43Å
270E91.8Very high93.4Very high89 Ų8940.5 Ų40.542%0.41624%0.236SC..Hα-helixtrans-71.4-28.9-175.4-177.6164-151.200113.4R265 D266R265-E270 HydrophobicContact CB-CB 4.37Å; R265-E270 IonicContact NH2-OE1 3.87Å; D266-E270 WeakPolarHBondContact O-CB 3.35Å; D266-E270 PolarHBondContact O-N 2.95Å
271W93.1Very high93.8Very high17 Ų1744.5 Ų44.56%0.06425%0.247CC..SBendtrans-70139.6-176-76.136.3000112.8E267 E269 E275 F279 L298 K301 I306 Y309E267-W271 VanDerWaalsContact O-CG 3.31Å; E267-W271 PolarHBondContact O-N 3.01Å; E267-W271 PolarHBondContact OE2-NE1 3.24Å; E269-W271 VanDerWaalsContact C-N 3.35Å; E269-W271 PolarHBondContact O-N 3.43Å; W271-E275 HydrophobicContact CB-CB 4.41Å; W271-E275 HydrophobicContact CD2-CB 4.34Å; W271-E275 HydrophobicContact CE3-CB 3.81Å; W271-F279 HydrophobicContact CH2-CD2 4.23Å; W271-F279 HydrophobicContact CZ3-CB 3.93Å; W271-F279 HydrophobicContact CZ3-CD2 4.14Å; W271-F279 HydrophobicContact CZ3-CG 4.21Å; W271-L298 HydrophobicContact CH2-CD1 3.64Å; W271-L298 HydrophobicContact CZ3-CD1 3.51Å; W271-K301 VanDerWaalsContact CD1-NZ 3.27Å; W271-K301 HydrophobicContact CZ2-CD 4.12Å; W271-K301 HydrophobicContact CZ2-CG 4.24Å; W271-I306 HydrophobicContact CH2-CB 4.46Å; W271-I306 HydrophobicContact CH2-CG1 3.96Å; W271-I306 HydrophobicContact CZ2-CG1 4.16Å; W271-Y309 HydrophobicContact CB-CD2 4.25Å; W271-Y309 HydrophobicContact CB-CE2 3.9Å; W271-Y309 HydrophobicContact CD2-CD1 4.37Å; W271-Y309 AromaticContact CD2-CD2 3.5Å; W271-Y309 HydrophobicContact CD2-CD2 3.5Å; W271-Y309 AromaticContact CD2-CE2 3.79Å; W271-Y309 HydrophobicContact CD2-CE2 3.79Å; W271-Y309 AromaticContact CD2-CG 3.83Å; W271-Y309 HydrophobicContact CD2-CG 3.83Å; W271-Y309 AromaticContact CE2-CD2 3.75Å; W271-Y309 AromaticContact CE2-CG 3.77Å; W271-Y309 AromaticContact CE3-CD1 3.96Å; W271-Y309 HydrophobicContact CE3-CD1 3.96Å; W271-Y309 AromaticContact CE3-CD2 3.84Å; W271-Y309 HydrophobicContact CE3-CD2 3.84Å; W271-Y309 AromaticContact CE3-CE1 3.96Å; W271-Y309 HydrophobicContact CE3-CE1 3.96Å; W271-Y309 AromaticContact CE3-CE2 3.85Å; W271-Y309 HydrophobicContact CE3-CE2 3.85Å; W271-Y309 AromaticContact CE3-CG 3.9Å; W271-Y309 HydrophobicContact CE3-CG 3.9Å; W271-Y309 AromaticContact CE3-CZ 3.91Å; W271-Y309 AromaticContact CG-CD2 3.73Å; W271-Y309 HydrophobicContact CG-CD2 3.73Å; W271-Y309 AromaticContact CG-CE2 3.86Å; W271-Y309 HydrophobicContact CG-CE2 3.86Å; W271-Y309 HydrophobicContact CG-CG 4.5Å; W271-Y309 AromaticContact CH2-CD1 3.88Å; W271-Y309 HydrophobicContact CH2-CD1 3.88Å; W271-Y309 AromaticContact CH2-CG 3.86Å; W271-Y309 HydrophobicContact CH2-CG 3.86Å; W271-Y309 HydrophobicContact CZ2-CD1 4.31Å; W271-Y309 HydrophobicContact CZ2-CD2 4.26Å; W271-Y309 AromaticContact CZ2-CG 3.79Å; W271-Y309 HydrophobicContact CZ2-CG 3.79Å; W271-Y309 AromaticContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD2 4.34Å; W271-Y309 AromaticContact CZ3-CE1 3.98Å; W271-Y309 HydrophobicContact CZ3-CE1 3.98Å; W271-Y309 AromaticContact CZ3-CG 3.93Å; W271-Y309 HydrophobicContact CZ3-CG 3.93Å
272S91Very high94Very high38 Ų3843.3 Ų43.327%0.26624%0.239SC..  trans-70.7158.5173.162.80000111.9S274 E275 A276S272-S274 PolarHBondContact O-N 2.94Å; S272-S274 PolarHBondContact OG-OG 3.17Å; S272-E275 WeakPolarHBondContact CB-OE2 3.42Å; S272-E275 PolarHBondContact N-OE2 2.81Å; S272-E275 PolarHBondContact O-N 3.07Å; S272-E275 VanDerWaalsContact O-N 3.12Å; S272-E275 WeakPolarHBondContact OG-CB 3.28Å; S272-E275 VanDerWaalsContact OG-CD 3.25Å; S272-E275 WeakPolarHBondContact OG-CG 3.42Å; S272-E275 PolarHBondContact OG-N 2.82Å; S272-E275 PolarHBondContact OG-OE2 2.82Å; S272-A276 PolarHBondContact O-N 3.34Å
273A89.5Confident94.1Very high55 Ų5542.5 Ų42.546%0.45523%0.233SC..Hα-helixtrans-59.7-32.3177.500000113V216 S277V216-A273 HydrophobicContact CG2-CB 4.09Å; A273-S277 WeakPolarHBondContact O-CB 3.47Å; A273-S277 PolarHBondContact O-N 3.38Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.37Å
274S92.8Very high94.1Very high77 Ų7746.1 Ų46.154%0.53825%0.248SC..Hα-helixtrans-70.4-42.2174.745.20000112.3S272 S277 L278S272-S274 PolarHBondContact O-N 2.94Å; S272-S274 PolarHBondContact OG-OG 3.17Å; S274-S277 PolarHBondContact O-N 3.48Å; S274-L278 WeakPolarHBondContact O-CG 3.47Å; S274-L278 PolarHBondContact O-N 3.27Å
275E95.9Very high94.2Very high26 Ų2651.4 Ų51.412%0.12127%0.269CS..Hα-helixtrans-63.9-42.2175.1-72167.8135.600111.9W271 S272 S277 L278 F279 L298 W300 K301W271-E275 HydrophobicContact CB-CB 4.41Å; W271-E275 HydrophobicContact CD2-CB 4.34Å; W271-E275 HydrophobicContact CE3-CB 3.81Å; S272-E275 WeakPolarHBondContact CB-OE2 3.42Å; S272-E275 PolarHBondContact N-OE2 2.81Å; S272-E275 PolarHBondContact O-N 3.07Å; S272-E275 VanDerWaalsContact O-N 3.12Å; S272-E275 WeakPolarHBondContact OG-CB 3.28Å; S272-E275 VanDerWaalsContact OG-CD 3.25Å; S272-E275 WeakPolarHBondContact OG-CG 3.42Å; S272-E275 PolarHBondContact OG-N 2.82Å; S272-E275 PolarHBondContact OG-OE2 2.82Å; E275-S277 VanDerWaalsContact C-N 3.29Å; E275-S277 PolarHBondContact O-N 3.47Å; E275-L278 PolarHBondContact O-N 3.04Å; E275-F279 WeakPolarHBondContact O-CB 3.26Å; E275-F279 PolarHBondContact O-N 3.24Å; E275-L298 HydrophobicContact CB-CD2 4.21Å; E275-L298 HydrophobicContact CG-CD2 4.17Å; E275-W300 HydrophobicContact CG-CZ2 4.29Å; E275-W300 PolarHBondContact OE1-NE1 2.84Å; E275-K301 WeakPolarHBondContact OE1-CE 3.33Å; E275-K301 IonicContact OE1-NZ 3.52Å; E275-K301 IonicContact OE2-NZ 3.57Å
276A94.4Very high94.4Very high21 Ų2150.6 Ų50.617%0.17427%0.266CS..Hα-helixtrans-59.8-40.4174.200000111.9S272 F279 E280 Y309S272-A276 PolarHBondContact O-N 3.34Å; A276-F279 WeakPolarHBondContact O-CB 3.36Å; A276-F279 PolarHBondContact O-N 2.88Å; A276-E280 WeakPolarHBondContact O-CG 3.5Å; A276-E280 PolarHBondContact O-N 2.82Å; A276-Y309 VanDerWaalsContact CB-OH 3.23Å; A276-Y309 WeakPolarHBondContact CB-OH 3.45Å
277S94.7Very high94.3Very high59 Ų5951.8 Ų51.841%0.41328%0.28SS..Hα-helixtrans-68.3-45.6177.3-56.90000111.9A273 S274 E275 F279 E280 E281A273-S277 WeakPolarHBondContact O-CB 3.47Å; A273-S277 PolarHBondContact O-N 3.38Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.37Å; S274-S277 PolarHBondContact O-N 3.48Å; E275-S277 VanDerWaalsContact C-N 3.29Å; E275-S277 PolarHBondContact O-N 3.47Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 3.35Å; S277-E280 PolarHBondContact O-N 3.22Å; S277-E281 PolarHBondContact O-N 3.01Å; S277-E281 VanDerWaalsContact O-N 3.09Å
278L97.2Very high94.4Very high51 Ų5156.9 Ų56.927%0.26730%0.302SS..Hα-helixtrans-57.9-39.4174.8-75.7170.7000111.8S274 E275 A282 F297 L298 W300S274-L278 WeakPolarHBondContact O-CG 3.47Å; S274-L278 PolarHBondContact O-N 3.27Å; E275-L278 PolarHBondContact O-N 3.04Å; L278-A282 VanDerWaalsContact O-CB 3.25Å; L278-A282 WeakPolarHBondContact O-CB 3.47Å; L278-A282 PolarHBondContact O-N 3.09Å; L278-F297 HydrophobicContact CD2-CD1 4.06Å; L278-F297 WeakPolarHBondContact O-CD1 2.9Å; L278-L298 HydrophobicContact CB-CD2 4.15Å; L278-L298 HydrophobicContact CD1-CD2 4.24Å; L278-W300 HydrophobicContact CD1-CH2 4.03Å; L278-W300 HydrophobicContact CD1-CZ2 4.17Å
279F97.3Very high94.5Very high0 Ų058.3 Ų58.30%031%0.31CS..Hα-helixtrans-62.2-44.6176.6-178.8-99.9000112.9W271 E275 A276 S277 A282 L283 I293 L298 I306 Y309 Y310 W313W271-F279 HydrophobicContact CH2-CD2 4.23Å; W271-F279 HydrophobicContact CZ3-CB 3.93Å; W271-F279 HydrophobicContact CZ3-CD2 4.14Å; W271-F279 HydrophobicContact CZ3-CG 4.21Å; E275-F279 WeakPolarHBondContact O-CB 3.26Å; E275-F279 PolarHBondContact O-N 3.24Å; A276-F279 WeakPolarHBondContact O-CB 3.36Å; A276-F279 PolarHBondContact O-N 2.88Å; S277-F279 VanDerWaalsContact C-N 3.26Å; S277-F279 PolarHBondContact O-N 3.35Å; F279-A282 PolarHBondContact O-N 3.46Å; F279-L283 HydrophobicContact CE1-CD1 4.35Å; F279-L283 HydrophobicContact CE1-CD2 4.41Å; F279-L283 HydrophobicContact CZ-CD1 4.01Å; F279-L283 VanDerWaalsContact O-CB 3.3Å; F279-L283 WeakPolarHBondContact O-CB 3.46Å; F279-L283 PolarHBondContact O-N 3.18Å; F279-I293 HydrophobicContact CD2-CG2 4.32Å; F279-L298 HydrophobicContact CB-CD1 4.15Å; F279-L298 HydrophobicContact CD2-CD1 4.19Å; F279-I306 HydrophobicContact CD2-CG2 4.31Å; F279-I306 HydrophobicContact CE2-CG2 3.85Å; F279-Y309 HydrophobicContact CB-CE1 4.23Å; F279-Y309 AromaticContact CD1-CD1 3.92Å; F279-Y309 HydrophobicContact CD1-CD1 3.92Å; F279-Y309 AromaticContact CD1-CE1 3.55Å; F279-Y309 HydrophobicContact CD1-CE1 3.55Å; F279-Y309 HydrophobicContact CD2-CD1 4.18Å; F279-Y309 HydrophobicContact CD2-CE1 4.45Å; F279-Y309 HydrophobicContact CE1-CD1 4.02Å; F279-Y309 AromaticContact CE1-CE1 3.98Å; F279-Y309 HydrophobicContact CE1-CE1 3.98Å; F279-Y309 HydrophobicContact CE2-CD1 4.28Å; F279-Y309 AromaticContact CG-CD1 3.99Å; F279-Y309 HydrophobicContact CG-CD1 3.99Å; F279-Y309 AromaticContact CG-CE1 3.81Å; F279-Y309 HydrophobicContact CG-CE1 3.81Å; F279-Y309 HydrophobicContact CZ-CD1 4.2Å; F279-Y310 HydrophobicContact CE1-CD2 4.4Å; F279-Y310 AromaticContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CG 4.32Å; F279-W313 HydrophobicContact CE1-CD2 4.12Å; F279-W313 HydrophobicContact CE1-CE3 4.07Å; F279-W313 HydrophobicContact CE1-CG 4.39Å
280E94.2Very high94.8Very high29 Ų2957.2 Ų57.214%0.13631%0.305CS..Hα-helixtrans-64.8-43.7179.5-70.6-174.7-172.500111.7A276 S277 A282 L283 E284 W313 R318A276-E280 WeakPolarHBondContact O-CG 3.5Å; A276-E280 PolarHBondContact O-N 2.82Å; S277-E280 PolarHBondContact O-N 3.22Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.11Å; E280-L283 PolarHBondContact O-N 3.37Å; E280-E284 WeakPolarHBondContact O-CG 3.43Å; E280-E284 PolarHBondContact O-N 2.83Å; E280-W313 HydrophobicContact CG-CZ2 3.76Å; E280-W313 PolarHBondContact OE1-NE1 3.29Å; E280-R318 VanDerWaalsContact CD-NE 3.26Å; E280-R318 VanDerWaalsContact OE1-CD 3.27Å; E280-R318 WeakPolarHBondContact OE1-CD 3.47Å; E280-R318 IonicContact OE1-CZ 2.66Å; E280-R318 IonicContact OE1-NE 3.17Å; E280-R318 PolarHBondContact OE1-NE 3.37Å; E280-R318 IonicContact OE2-CZ 3.97Å; E280-R318 IonicContact OE2-NE 2.71Å; E280-R318 PolarHBondContact OE2-NE 3.18Å; E280-R318 IonicContact OE2-NH2 2.76Å; E280-R318 PolarHBondContact OE2-NH2 2.76Å
281E95.6Very high95.1Very high113 Ų11357.1 Ų57.153%0.52831%0.307SS..Hα-helixtrans-59.5-44.4174-69.5179.9-164.600111.7S277 E284 K285 F297S277-E281 PolarHBondContact O-N 3.01Å; S277-E281 VanDerWaalsContact O-N 3.09Å; E281-E284 PolarHBondContact O-N 3.07Å; E281-K285 WeakPolarHBondContact O-CB 3.3Å; E281-K285 PolarHBondContact O-N 3.17Å; E281-F297 HydrophobicContact CB-CD1 4.46Å; E281-F297 HydrophobicContact CB-CE1 3.84Å
282A97.3Very high95.4Very high0 Ų059.4 Ų59.40%032%0.321CS..Hα-helixtrans-65.2-41178.700000112L278 F279 E280 E284 K285 Y286 I293 F297L278-A282 VanDerWaalsContact O-CB 3.25Å; L278-A282 WeakPolarHBondContact O-CB 3.47Å; L278-A282 PolarHBondContact O-N 3.09Å; F279-A282 PolarHBondContact O-N 3.46Å; E280-A282 VanDerWaalsContact C-N 3.33Å; E280-A282 PolarHBondContact O-N 3.11Å; A282-E284 VanDerWaalsContact C-N 3.34Å; A282-K285 PolarHBondContact O-N 3.22Å; A282-Y286 PolarHBondContact O-N 2.84Å; A282-I293 HydrophobicContact CB-CB 4.07Å; A282-I293 HydrophobicContact CB-CG1 3.77Å; A282-I293 HydrophobicContact CB-CG2 3.62Å; A282-F297 HydrophobicContact CB-CB 3.74Å; A282-F297 HydrophobicContact CB-CD1 3.79Å; A282-F297 HydrophobicContact CB-CD2 3.48Å; A282-F297 VanDerWaalsContact CB-CD2 3.48Å; A282-F297 HydrophobicContact CB-CE1 4.22Å; A282-F297 HydrophobicContact CB-CE2 3.95Å; A282-F297 HydrophobicContact CB-CG 3.4Å; A282-F297 HydrophobicContact CB-CZ 4.29Å
283L95.2Very high95.7Very high26 Ų2657.6 Ų57.614%0.13631%0.308CS..Hα-helixtrans-67.5-35.1178.7-162.885.6000111.6F279 E280 G287 F290 I293 Y310 W313F279-L283 HydrophobicContact CE1-CD1 4.35Å; F279-L283 HydrophobicContact CE1-CD2 4.41Å; F279-L283 HydrophobicContact CZ-CD1 4.01Å; F279-L283 VanDerWaalsContact O-CB 3.3Å; F279-L283 WeakPolarHBondContact O-CB 3.46Å; F279-L283 PolarHBondContact O-N 3.18Å; E280-L283 PolarHBondContact O-N 3.37Å; L283-G287 WeakPolarHBondContact CD1-O 3.49Å; L283-G287 WeakPolarHBondContact O-CA 3.47Å; L283-G287 PolarHBondContact O-N 2.81Å; L283-F290 HydrophobicContact CD1-CE1 4.37Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; L283-Y310 HydrophobicContact CD1-CD2 4.07Å; L283-Y310 HydrophobicContact CD1-CE2 4.01Å; L283-Y310 HydrophobicContact CD2-CE2 4.43Å; L283-W313 HydrophobicContact CD2-CE3 4.38Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 3.43Å; L283-W313 VanDerWaalsContact CD2-CZ3 3.43Å
284E92.4Very high96.1Very high131 Ų13159.7 Ų59.761%0.61230%0.304SS*.Hα-helixtrans-69.2-38.8173.2-73.4-172.9169.300112.1E280 E281 A282 Q322E280-E284 WeakPolarHBondContact O-CG 3.43Å; E280-E284 PolarHBondContact O-N 2.83Å; E281-E284 PolarHBondContact O-N 3.07Å; A282-E284 VanDerWaalsContact C-N 3.34Å; E284-Q322 PolarHBondContact OE1-NE2 2.96Å
285K96.1Very high96.4Very high131 Ų13162.4 Ų62.457%0.5731%0.308SS*.Hα-helixtrans-76.5-46.4-178.5-169.1-175.3-179.2-165.70113.6E281 A282 F297E281-K285 WeakPolarHBondContact O-CB 3.3Å; E281-K285 PolarHBondContact O-N 3.17Å; A282-K285 PolarHBondContact O-N 3.22Å; K285-F297 HydrophobicContact CD-CE2 3.92Å; K285-F297 HydrophobicContact CD-CZ 3.87Å
286Y96.8Very high96.5Very high62 Ų6265.9 Ų65.924%0.24333%0.328CS..Hα-helixtrans-109-1.6-172-60.2-41.2000113.7A282 K288 D289 D292 I293 D296 F297A282-Y286 PolarHBondContact O-N 2.84Å; Y286-K288 PolarHBondContact O-N 3.2Å; Y286-D289 PolarHBondContact O-N 3.43Å; Y286-D292 HydrophobicContact CD2-CB 3.91Å; Y286-D292 HydrophobicContact CE2-CB 4.25Å; Y286-D292 HydrophobicContact CG-CB 4.12Å; Y286-I293 HydrophobicContact CD2-CG1 4.31Å; Y286-D296 HydrophobicContact CE2-CB 3.94Å; Y286-D296 WeakPolarHBondContact CE2-OD2 3.38Å; Y286-D296 VanDerWaalsContact CZ-OD2 3.26Å; Y286-D296 PolarHBondContact OH-OD2 3.29Å; Y286-F297 HydrophobicContact CD2-CD2 4.31Å; Y286-F297 HydrophobicContact CD2-CE2 4.08Å; Y286-F297 AromaticContact CE2-CD2 3.87Å; Y286-F297 HydrophobicContact CE2-CD2 3.87Å; Y286-F297 AromaticContact CE2-CE2 3.53Å; Y286-F297 HydrophobicContact CE2-CE2 3.53Å
287G94.4Very high96.6Very high32 Ų3266.4 Ų66.433%0.3333%0.326SS..THydrogen-bonded Turntrans67.4-125.1-17700000110.8L283L283-G287 WeakPolarHBondContact CD1-O 3.49Å; L283-G287 WeakPolarHBondContact O-CA 3.47Å; L283-G287 PolarHBondContact O-N 2.81Å
288K96.8Very high96.8Very high144 Ų14463.6 Ų63.663%0.62631%0.307SS*.THydrogen-bonded Turntrans-105.723.5-177.7-54.9179.6-169.1-178.10112.5Y286 F290 Y310Y286-K288 PolarHBondContact O-N 3.2Å; K288-F290 HydrophobicContact CB-CE2 4.32Å; K288-F290 HydrophobicContact CB-CZ 4.25Å; K288-F290 WeakPolarHBondContact O-CD2 3.34Å; K288-F290 PolarHBondContact O-N 3.18Å; K288-Y310 WeakPolarHBondContact CD-OH 3.36Å; K288-Y310 WeakPolarHBondContact CE-OH 3.25Å; K288-Y310 PolarHBondContact NZ-OH 2.71Å
289D97.5Very high96.8Very high69 Ų6964.8 Ų64.837%0.36932%0.317SS..  trans-82.286.9171.7-160.8-31.7000110.1Y286 N291 D292 I293Y286-D289 PolarHBondContact O-N 3.43Å; D289-N291 PolarHBondContact O-N 2.78Å; D289-N291 PolarHBondContact OD1-N 3.14Å; D289-N291 VanDerWaalsContact OD1-N 3.16Å; D289-D292 HydrophobicContact CB-CB 4.36Å; D289-D292 PolarHBondContact O-N 2.89Å; D289-D292 PolarHBondContact OD1-N 3.26Å; D289-I293 VanDerWaalsContact O-CG1 3.27Å; D289-I293 WeakPolarHBondContact O-CG1 3.48Å; D289-I293 PolarHBondContact O-N 3.17Å
290F97.9Very high96.8Very high32 Ų3272.4 Ų72.414%0.1435%0.346CS..Hα-helixtrans-67.8-18.5-177.1-57.3-66.3000113.4L283 K288 I293 R294 L303 I306 I307 Y310L283-F290 HydrophobicContact CD1-CE1 4.37Å; K288-F290 HydrophobicContact CB-CE2 4.32Å; K288-F290 HydrophobicContact CB-CZ 4.25Å; K288-F290 WeakPolarHBondContact O-CD2 3.34Å; K288-F290 PolarHBondContact O-N 3.18Å; F290-I293 HydrophobicContact CD1-CD1 4.02Å; F290-I293 HydrophobicContact CE1-CD1 4.49Å; F290-R294 VanDerWaalsContact O-CB 3.28Å; F290-R294 WeakPolarHBondContact O-CB 3.21Å; F290-R294 PolarHBondContact O-N 2.92Å; F290-L303 HydrophobicContact CB-CD1 3.57Å; F290-L303 WeakPolarHBondContact O-CD1 3.49Å; F290-I306 HydrophobicContact CD1-CG2 3.96Å; F290-I307 HydrophobicContact CB-CG1 4.45Å; F290-I307 HydrophobicContact CD2-CG1 4.05Å; F290-I307 HydrophobicContact CG-CG1 4.18Å; F290-Y310 HydrophobicContact CE1-CD1 4.17Å; F290-Y310 AromaticContact CE1-CD2 3.95Å; F290-Y310 HydrophobicContact CE1-CD2 3.95Å; F290-Y310 HydrophobicContact CE1-CE2 4.5Å; F290-Y310 AromaticContact CE1-CG 3.73Å; F290-Y310 HydrophobicContact CE1-CG 3.73Å; F290-Y310 HydrophobicContact CE2-CD1 4.45Å; F290-Y310 AromaticContact CZ-CD1 3.54Å; F290-Y310 HydrophobicContact CZ-CD1 3.54Å; F290-Y310 AromaticContact CZ-CD2 3.97Å; F290-Y310 HydrophobicContact CZ-CD2 3.97Å; F290-Y310 AromaticContact CZ-CE1 3.84Å; F290-Y310 HydrophobicContact CZ-CE1 3.84Å; F290-Y310 HydrophobicContact CZ-CE2 4.22Å; F290-Y310 AromaticContact CZ-CG 3.59Å; F290-Y310 HydrophobicContact CZ-CG 3.59Å
291N97.9Very high97Very high86 Ų8672.4 Ų72.446%0.4635%0.345SS..Hα-helixtrans-71.2-45.6174.9-73.5-66.7000110.5D289 R294 Q295D289-N291 PolarHBondContact O-N 2.78Å; D289-N291 PolarHBondContact OD1-N 3.14Å; D289-N291 VanDerWaalsContact OD1-N 3.16Å; N291-R294 PolarHBondContact O-N 2.81Å; N291-Q295 WeakPolarHBondContact O-CG 3.47Å; N291-Q295 PolarHBondContact O-N 3.25Å
292D98.1Very high97.1Very high65 Ų6569.5 Ų69.535%0.34834%0.338SS..Hα-helixtrans-70.7-38.8178.7-72.1-0.6000111.3Y286 D289 R294 Q295 D296Y286-D292 HydrophobicContact CD2-CB 3.91Å; Y286-D292 HydrophobicContact CE2-CB 4.25Å; Y286-D292 HydrophobicContact CG-CB 4.12Å; D289-D292 HydrophobicContact CB-CB 4.36Å; D289-D292 PolarHBondContact O-N 2.89Å; D289-D292 PolarHBondContact OD1-N 3.26Å; D292-R294 VanDerWaalsContact C-N 3.31Å; D292-R294 PolarHBondContact O-N 3.1Å; D292-Q295 PolarHBondContact O-N 3.45Å; D292-D296 PolarHBondContact O-N 3.5Å
293I98.2Very high97.2Very high0 Ų071.7 Ų71.70%035%0.349CS..Hα-helixtrans-56.7-47.1172.1-67.6168000110.6F279 A282 L283 Y286 D289 F290 F297 L298 I306F279-I293 HydrophobicContact CD2-CG2 4.32Å; A282-I293 HydrophobicContact CB-CB 4.07Å; A282-I293 HydrophobicContact CB-CG1 3.77Å; A282-I293 HydrophobicContact CB-CG2 3.62Å; L283-I293 HydrophobicContact CD1-CD1 4.11Å; Y286-I293 HydrophobicContact CD2-CG1 4.31Å; D289-I293 VanDerWaalsContact O-CG1 3.27Å; D289-I293 WeakPolarHBondContact O-CG1 3.48Å; D289-I293 PolarHBondContact O-N 3.17Å; F290-I293 HydrophobicContact CD1-CD1 4.02Å; F290-I293 HydrophobicContact CE1-CD1 4.49Å; I293-F297 WeakPolarHBondContact O-CB 3.38Å; I293-F297 PolarHBondContact O-N 3.46Å; I293-L298 HydrophobicContact CG2-CD1 4.48Å; I293-L298 PolarHBondContact O-N 2.72Å; I293-I306 HydrophobicContact CG2-CG2 4.43Å
294R98Very high97.3Very high100 Ų10075.4 Ų75.438%0.37737%0.373SS..Hα-helixtrans-63.3-49177.2-178.1-179.2156-155.1-7.4111.5F290 N291 D292 D296 L298 P299 K301 I306F290-R294 VanDerWaalsContact O-CB 3.28Å; F290-R294 WeakPolarHBondContact O-CB 3.21Å; F290-R294 PolarHBondContact O-N 2.92Å; N291-R294 PolarHBondContact O-N 2.81Å; D292-R294 VanDerWaalsContact C-N 3.31Å; D292-R294 PolarHBondContact O-N 3.1Å; R294-D296 PolarHBondContact O-N 3.12Å; R294-L298 CarbonylContact O-C 2.99Å; R294-L298 PolarHBondContact O-N 3.01Å; R294-P299 WeakPolarHBondContact O-CA 3.49Å; R294-K301 WeakPolarHBondContact CD-O 3.42Å; R294-K301 PolarHBondContact NE-O 3.3Å; R294-I306 HydrophobicContact CB-CD1 3.52Å; R294-I306 HydrophobicContact CG-CD1 3.75Å
295Q97.8Very high97.6Very high133 Ų13369.5 Ų69.562%0.62135%0.346SS*.Hα-helixtrans-63.7-41.8-173.7-76.5-176.939.100112.8N291 D292N291-Q295 WeakPolarHBondContact O-CG 3.47Å; N291-Q295 PolarHBondContact O-N 3.25Å; D292-Q295 PolarHBondContact O-N 3.45Å
296D97.9Very high97.7Very high100 Ų10063.2 Ų63.254%0.53532%0.319SS..Hα-helixtrans-97.8-31.8-169.8-72.2-2.3000113.9Y286 D292 R294Y286-D296 HydrophobicContact CE2-CB 3.94Å; Y286-D296 WeakPolarHBondContact CE2-OD2 3.38Å; Y286-D296 VanDerWaalsContact CZ-OD2 3.26Å; Y286-D296 PolarHBondContact OH-OD2 3.29Å; D292-D296 PolarHBondContact O-N 3.5Å; R294-D296 PolarHBondContact O-N 3.12Å
297F97.9Very high97.8Very high32 Ų3263.1 Ų63.114%0.1432%0.322CS..THydrogen-bonded Turntrans-111.8-37.4-173.5-73.9-102.5000113.6L278 E281 A282 K285 Y286 I293 P299L278-F297 HydrophobicContact CD2-CD1 4.06Å; L278-F297 WeakPolarHBondContact O-CD1 2.9Å; E281-F297 HydrophobicContact CB-CD1 4.46Å; E281-F297 HydrophobicContact CB-CE1 3.84Å; A282-F297 HydrophobicContact CB-CB 3.74Å; A282-F297 HydrophobicContact CB-CD1 3.79Å; A282-F297 HydrophobicContact CB-CD2 3.48Å; A282-F297 VanDerWaalsContact CB-CD2 3.48Å; A282-F297 HydrophobicContact CB-CE1 4.22Å; A282-F297 HydrophobicContact CB-CE2 3.95Å; A282-F297 HydrophobicContact CB-CG 3.4Å; A282-F297 HydrophobicContact CB-CZ 4.29Å; K285-F297 HydrophobicContact CD-CE2 3.92Å; K285-F297 HydrophobicContact CD-CZ 3.87Å; Y286-F297 HydrophobicContact CD2-CD2 4.31Å; Y286-F297 HydrophobicContact CD2-CE2 4.08Å; Y286-F297 AromaticContact CE2-CD2 3.87Å; Y286-F297 HydrophobicContact CE2-CD2 3.87Å; Y286-F297 AromaticContact CE2-CE2 3.53Å; Y286-F297 HydrophobicContact CE2-CE2 3.53Å; I293-F297 WeakPolarHBondContact O-CB 3.38Å; I293-F297 PolarHBondContact O-N 3.46Å; F297-P299 VanDerWaalsContact C-CD 3.46Å
298L97.9Very high97.9Very high0 Ų065.6 Ų65.60%033%0.325CS..  trans-132.757.2-173.8-65166.8000112.8W271 E275 L278 F279 I293 R294 W300 K301 I306W271-L298 HydrophobicContact CH2-CD1 3.64Å; W271-L298 HydrophobicContact CZ3-CD1 3.51Å; E275-L298 HydrophobicContact CB-CD2 4.21Å; E275-L298 HydrophobicContact CG-CD2 4.17Å; L278-L298 HydrophobicContact CB-CD2 4.15Å; L278-L298 HydrophobicContact CD1-CD2 4.24Å; F279-L298 HydrophobicContact CB-CD1 4.15Å; F279-L298 HydrophobicContact CD2-CD1 4.19Å; I293-L298 HydrophobicContact CG2-CD1 4.48Å; I293-L298 PolarHBondContact O-N 2.72Å; R294-L298 CarbonylContact O-C 2.99Å; R294-L298 PolarHBondContact O-N 3.01Å; L298-W300 HydrophobicContact CD2-CZ2 3.86Å; L298-W300 PolarHBondContact O-N 3.21Å; L298-K301 HydrophobicContact CB-CB 4.26Å; L298-K301 HydrophobicContact CB-CG 4.36Å; L298-K301 PolarHBondContact O-N 3.49Å; L298-K301 VanDerWaalsContact O-N 3.09Å; L298-I306 HydrophobicContact CB-CD1 4.25Å
299P97.9Very high98Very high75 Ų7559.1 Ų59.149%0.48730%0.297SS..THydrogen-bonded Turntrans-68.5-20.2-17225.6-34.9000114R294 F297R294-P299 WeakPolarHBondContact O-CA 3.49Å; F297-P299 VanDerWaalsContact C-CD 3.46Å
300W97.8Very high98Very high160 Ų16056.4 Ų56.461%0.60628%0.281SS*.THydrogen-bonded Turntrans-83.9-13.217657.387.9000113.6E275 L278 L298E275-W300 HydrophobicContact CG-CZ2 4.29Å; E275-W300 PolarHBondContact OE1-NE1 2.84Å; L278-W300 HydrophobicContact CD1-CH2 4.03Å; L278-W300 HydrophobicContact CD1-CZ2 4.17Å; L298-W300 HydrophobicContact CD2-CZ2 3.86Å; L298-W300 PolarHBondContact O-N 3.21Å
301K98.1Very high98Very high29 Ų2961.5 Ų61.513%0.12630%0.301CS..SBendtrans-89.1147.4174.9-68.6-75.5-179.71670110.4W271 E275 R294 L298 I306W271-K301 VanDerWaalsContact CD1-NZ 3.27Å; W271-K301 HydrophobicContact CZ2-CD 4.12Å; W271-K301 HydrophobicContact CZ2-CG 4.24Å; E275-K301 WeakPolarHBondContact OE1-CE 3.33Å; E275-K301 IonicContact OE1-NZ 3.52Å; E275-K301 IonicContact OE2-NZ 3.57Å; R294-K301 WeakPolarHBondContact CD-O 3.42Å; R294-K301 PolarHBondContact NE-O 3.3Å; L298-K301 HydrophobicContact CB-CB 4.26Å; L298-K301 HydrophobicContact CB-CG 4.36Å; L298-K301 PolarHBondContact O-N 3.49Å; L298-K301 VanDerWaalsContact O-N 3.09Å; K301-I306 HydrophobicContact CB-CD1 4Å; K301-I306 HydrophobicContact CB-CG1 3.86Å
302S98.1Very high97.9Very high52 Ų5260.3 Ų60.336%0.36429%0.293SS..  trans-72.7153.6173.178.90000110.4T304 S305 I306S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.14Å; S302-T304 PolarHBondContact OG-OG1 2.98Å; S302-T304 VanDerWaalsContact OG-OG1 3.06Å; S302-S305 PolarHBondContact N-OG 2.61Å; S302-S305 PolarHBondContact O-N 3.45Å; S302-S305 PolarHBondContact O-OG 3.36Å; S302-S305 VanDerWaalsContact OG-CB 3.26Å; S302-S305 WeakPolarHBondContact OG-CB 3.44Å; S302-S305 PolarHBondContact OG-N 2.82Å; S302-S305 PolarHBondContact OG-OG 3.47Å; S302-I306 WeakPolarHBondContact O-CD1 3.44Å; S302-I306 VanDerWaalsContact O-CG1 3.28Å; S302-I306 WeakPolarHBondContact O-CG1 3.44Å; S302-I306 PolarHBondContact O-N 3.15Å; S302-I306 VanDerWaalsContact O-N 3.17Å
303L98.2Very high97.8Very high46 Ų4657.5 Ų57.524%0.24128%0.277CS..Hα-helixtrans-63.6-37.7176.8-17962.6000111.4F290 I306 I307F290-L303 HydrophobicContact CB-CD1 3.57Å; F290-L303 WeakPolarHBondContact O-CD1 3.49Å; L303-I306 PolarHBondContact O-N 2.86Å; L303-I307 HydrophobicContact CD1-CD1 4.35Å; L303-I307 HydrophobicContact CG-CD1 4.03Å; L303-I307 VanDerWaalsContact O-CG1 3.27Å; L303-I307 WeakPolarHBondContact O-CG1 2.95Å; L303-I307 PolarHBondContact O-N 3.27Å; L303-I307 VanDerWaalsContact O-N 3.11Å
304T98.3Very high97.6Very high105 Ų10560.8 Ų60.864%0.64429%0.292SS*.Hα-helixtrans-64.8-43.8179.345.40000111.5S302 I306 I307 E308S302-T304 VanDerWaalsContact C-N 3.26Å; S302-T304 PolarHBondContact O-N 3.14Å; S302-T304 PolarHBondContact OG-OG1 2.98Å; S302-T304 VanDerWaalsContact OG-OG1 3.06Å; T304-I306 PolarHBondContact O-N 3.36Å; T304-I307 PolarHBondContact O-N 3.13Å; T304-E308 PolarHBondContact O-N 2.96Å
305S98.1Very high97.4Very high6 Ų660.7 Ų60.74%0.04230%0.303CS..Hα-helixtrans-66.3-36.7177.460.30000113.1E267 S302 I307 E308 Y309E267-S305 WeakPolarHBondContact OE1-CB 3.47Å; E267-S305 WeakPolarHBondContact OE2-CB 3.45Å; S302-S305 PolarHBondContact N-OG 2.61Å; S302-S305 PolarHBondContact O-N 3.45Å; S302-S305 PolarHBondContact O-OG 3.36Å; S302-S305 VanDerWaalsContact OG-CB 3.26Å; S302-S305 WeakPolarHBondContact OG-CB 3.44Å; S302-S305 PolarHBondContact OG-N 2.82Å; S302-S305 PolarHBondContact OG-OG 3.47Å; S305-I307 VanDerWaalsContact C-N 3.31Å; S305-I307 PolarHBondContact O-N 3.19Å; S305-E308 PolarHBondContact O-N 3.49Å; S305-Y309 WeakPolarHBondContact O-CB 3.21Å; S305-Y309 PolarHBondContact O-N 3.17Å
306I98.3Very high97Very high0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-62-40.6173-66165.9000111W271 F279 F290 I293 R294 L298 K301 S302 L303 T304 Y310W271-I306 HydrophobicContact CH2-CB 4.46Å; W271-I306 HydrophobicContact CH2-CG1 3.96Å; W271-I306 HydrophobicContact CZ2-CG1 4.16Å; F279-I306 HydrophobicContact CD2-CG2 4.31Å; F279-I306 HydrophobicContact CE2-CG2 3.85Å; F290-I306 HydrophobicContact CD1-CG2 3.96Å; I293-I306 HydrophobicContact CG2-CG2 4.43Å; R294-I306 HydrophobicContact CB-CD1 3.52Å; R294-I306 HydrophobicContact CG-CD1 3.75Å; L298-I306 HydrophobicContact CB-CD1 4.25Å; K301-I306 HydrophobicContact CB-CD1 4Å; K301-I306 HydrophobicContact CB-CG1 3.86Å; S302-I306 WeakPolarHBondContact O-CD1 3.44Å; S302-I306 VanDerWaalsContact O-CG1 3.28Å; S302-I306 WeakPolarHBondContact O-CG1 3.44Å; S302-I306 PolarHBondContact O-N 3.15Å; S302-I306 VanDerWaalsContact O-N 3.17Å; L303-I306 PolarHBondContact O-N 2.86Å; T304-I306 PolarHBondContact O-N 3.36Å; I306-Y310 WeakPolarHBondContact O-CB 3.24Å; I306-Y310 PolarHBondContact O-N 3.49Å
307I98.3Very high96.6Very high59 Ų5957.2 Ų57.230%0.30329%0.289SS..Hα-helixtrans-68.4-43178.6-68.4166.8000110.9F290 L303 T304 S305 Y310 Y311F290-I307 HydrophobicContact CB-CG1 4.45Å; F290-I307 HydrophobicContact CD2-CG1 4.05Å; F290-I307 HydrophobicContact CG-CG1 4.18Å; L303-I307 HydrophobicContact CD1-CD1 4.35Å; L303-I307 HydrophobicContact CG-CD1 4.03Å; L303-I307 VanDerWaalsContact O-CG1 3.27Å; L303-I307 WeakPolarHBondContact O-CG1 2.95Å; L303-I307 PolarHBondContact O-N 3.27Å; L303-I307 VanDerWaalsContact O-N 3.11Å; T304-I307 PolarHBondContact O-N 3.13Å; S305-I307 VanDerWaalsContact C-N 3.31Å; S305-I307 PolarHBondContact O-N 3.19Å; I307-Y310 WeakPolarHBondContact O-CB 3.46Å; I307-Y310 PolarHBondContact O-N 2.73Å; I307-Y311 HydrophobicContact CG2-CD2 3.96Å; I307-Y311 HydrophobicContact CG2-CE2 3.74Å; I307-Y311 VanDerWaalsContact O-CD2 3.24Å; I307-Y311 WeakPolarHBondContact O-CD2 3.46Å; I307-Y311 PolarHBondContact O-N 3.36Å
308E98.1Very high96Very high84 Ų8463.1 Ų63.139%0.39331%0.311SS..Hα-helixtrans-60.2-50.7175.3-174.3177.4147.600111E267 T304 S305 Y310 Y311 M312E267-E308 HydrophobicContact CB-CG 4.4Å; E267-E308 HydrophobicContact CG-CB 4.21Å; E267-E308 HydrophobicContact CG-CG 4.19Å; T304-E308 PolarHBondContact O-N 2.96Å; S305-E308 PolarHBondContact O-N 3.49Å; E308-Y310 VanDerWaalsContact C-N 3.31Å; E308-Y310 PolarHBondContact O-N 3.44Å; E308-Y311 PolarHBondContact O-N 3.26Å; E308-M312 WeakPolarHBondContact O-CG 2.97Å; E308-M312 PolarHBondContact O-N 3.36Å; E308-M312 VanDerWaalsContact O-N 3.15Å
309Y97.9Very high95.5Very high9 Ų965.2 Ų65.24%0.03532%0.319CS..Hα-helixtrans-54.1-45.9174.5-177.8-93.5000111.7E267 M268 W271 A276 F279 S305 Y311 M312 W313E267-Y309 WeakPolarHBondContact O-CD2 3.42Å; M268-Y309 HydrophobicContact SD-CE2 4.09Å; W271-Y309 HydrophobicContact CB-CD2 4.25Å; W271-Y309 HydrophobicContact CB-CE2 3.9Å; W271-Y309 HydrophobicContact CD2-CD1 4.37Å; W271-Y309 AromaticContact CD2-CD2 3.5Å; W271-Y309 HydrophobicContact CD2-CD2 3.5Å; W271-Y309 AromaticContact CD2-CE2 3.79Å; W271-Y309 HydrophobicContact CD2-CE2 3.79Å; W271-Y309 AromaticContact CD2-CG 3.83Å; W271-Y309 HydrophobicContact CD2-CG 3.83Å; W271-Y309 AromaticContact CE2-CD2 3.75Å; W271-Y309 AromaticContact CE2-CG 3.77Å; W271-Y309 AromaticContact CE3-CD1 3.96Å; W271-Y309 HydrophobicContact CE3-CD1 3.96Å; W271-Y309 AromaticContact CE3-CD2 3.84Å; W271-Y309 HydrophobicContact CE3-CD2 3.84Å; W271-Y309 AromaticContact CE3-CE1 3.96Å; W271-Y309 HydrophobicContact CE3-CE1 3.96Å; W271-Y309 AromaticContact CE3-CE2 3.85Å; W271-Y309 HydrophobicContact CE3-CE2 3.85Å; W271-Y309 AromaticContact CE3-CG 3.9Å; W271-Y309 HydrophobicContact CE3-CG 3.9Å; W271-Y309 AromaticContact CE3-CZ 3.91Å; W271-Y309 AromaticContact CG-CD2 3.73Å; W271-Y309 HydrophobicContact CG-CD2 3.73Å; W271-Y309 AromaticContact CG-CE2 3.86Å; W271-Y309 HydrophobicContact CG-CE2 3.86Å; W271-Y309 HydrophobicContact CG-CG 4.5Å; W271-Y309 AromaticContact CH2-CD1 3.88Å; W271-Y309 HydrophobicContact CH2-CD1 3.88Å; W271-Y309 AromaticContact CH2-CG 3.86Å; W271-Y309 HydrophobicContact CH2-CG 3.86Å; W271-Y309 HydrophobicContact CZ2-CD1 4.31Å; W271-Y309 HydrophobicContact CZ2-CD2 4.26Å; W271-Y309 AromaticContact CZ2-CG 3.79Å; W271-Y309 HydrophobicContact CZ2-CG 3.79Å; W271-Y309 AromaticContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD1 3.72Å; W271-Y309 HydrophobicContact CZ3-CD2 4.34Å; W271-Y309 AromaticContact CZ3-CE1 3.98Å; W271-Y309 HydrophobicContact CZ3-CE1 3.98Å; W271-Y309 AromaticContact CZ3-CG 3.93Å; W271-Y309 HydrophobicContact CZ3-CG 3.93Å; A276-Y309 VanDerWaalsContact CB-OH 3.23Å; A276-Y309 WeakPolarHBondContact CB-OH 3.45Å; F279-Y309 HydrophobicContact CB-CE1 4.23Å; F279-Y309 AromaticContact CD1-CD1 3.92Å; F279-Y309 HydrophobicContact CD1-CD1 3.92Å; F279-Y309 AromaticContact CD1-CE1 3.55Å; F279-Y309 HydrophobicContact CD1-CE1 3.55Å; F279-Y309 HydrophobicContact CD2-CD1 4.18Å; F279-Y309 HydrophobicContact CD2-CE1 4.45Å; F279-Y309 HydrophobicContact CE1-CD1 4.02Å; F279-Y309 AromaticContact CE1-CE1 3.98Å; F279-Y309 HydrophobicContact CE1-CE1 3.98Å; F279-Y309 HydrophobicContact CE2-CD1 4.28Å; F279-Y309 AromaticContact CG-CD1 3.99Å; F279-Y309 HydrophobicContact CG-CD1 3.99Å; F279-Y309 AromaticContact CG-CE1 3.81Å; F279-Y309 HydrophobicContact CG-CE1 3.81Å; F279-Y309 HydrophobicContact CZ-CD1 4.2Å; S305-Y309 WeakPolarHBondContact O-CB 3.21Å; S305-Y309 PolarHBondContact O-N 3.17Å; Y309-Y311 PolarHBondContact O-N 3.43Å; Y309-M312 PolarHBondContact O-N 2.86Å; Y309-W313 HydrophobicContact CD1-CB 4.24Å; Y309-W313 HydrophobicContact CE1-CB 3.94Å; Y309-W313 HydrophobicContact CE1-CG 4.13Å; Y309-W313 WeakPolarHBondContact O-CB 3.45Å; Y309-W313 PolarHBondContact O-N 2.91Å
310Y97.5Very high95.2Very high11 Ų1163.9 Ų63.94%0.04331%0.309CS..Hα-helixtrans-54.9-47.6178.7168.9-109.3000112.8F279 L283 K288 F290 I306 I307 E308 W313 K314F279-Y310 HydrophobicContact CE1-CD2 4.4Å; F279-Y310 AromaticContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CD2 3.86Å; F279-Y310 HydrophobicContact CZ-CG 4.32Å; L283-Y310 HydrophobicContact CD1-CD2 4.07Å; L283-Y310 HydrophobicContact CD1-CE2 4.01Å; L283-Y310 HydrophobicContact CD2-CE2 4.43Å; K288-Y310 WeakPolarHBondContact CD-OH 3.36Å; K288-Y310 WeakPolarHBondContact CE-OH 3.25Å; K288-Y310 PolarHBondContact NZ-OH 2.71Å; F290-Y310 HydrophobicContact CE1-CD1 4.17Å; F290-Y310 AromaticContact CE1-CD2 3.95Å; F290-Y310 HydrophobicContact CE1-CD2 3.95Å; F290-Y310 HydrophobicContact CE1-CE2 4.5Å; F290-Y310 AromaticContact CE1-CG 3.73Å; F290-Y310 HydrophobicContact CE1-CG 3.73Å; F290-Y310 HydrophobicContact CE2-CD1 4.45Å; F290-Y310 AromaticContact CZ-CD1 3.54Å; F290-Y310 HydrophobicContact CZ-CD1 3.54Å; F290-Y310 AromaticContact CZ-CD2 3.97Å; F290-Y310 HydrophobicContact CZ-CD2 3.97Å; F290-Y310 AromaticContact CZ-CE1 3.84Å; F290-Y310 HydrophobicContact CZ-CE1 3.84Å; F290-Y310 HydrophobicContact CZ-CE2 4.22Å; F290-Y310 AromaticContact CZ-CG 3.59Å; F290-Y310 HydrophobicContact CZ-CG 3.59Å; I306-Y310 WeakPolarHBondContact O-CB 3.24Å; I306-Y310 PolarHBondContact O-N 3.49Å; I307-Y310 WeakPolarHBondContact O-CB 3.46Å; I307-Y310 PolarHBondContact O-N 2.73Å; E308-Y310 VanDerWaalsContact C-N 3.31Å; E308-Y310 PolarHBondContact O-N 3.44Å; Y310-W313 PolarHBondContact O-N 3.09Å; Y310-K314 HydrophobicContact CD1-CD 4.31Å; Y310-K314 HydrophobicContact CD2-CG 4.44Å; Y310-K314 HydrophobicContact CE1-CD 3.7Å; Y310-K314 HydrophobicContact CE2-CD 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.09Å; Y310-K314 WeakPolarHBondContact O-CG 3.14Å; Y310-K314 PolarHBondContact O-N 2.9Å
311Y97.8Very high94.7Very high140 Ų14061.9 Ų61.955%0.54931%0.307SS..Hα-helixtrans-70.1-36.8-177.4-77.6-67.5000112.3I307 E308 Y309 K314I307-Y311 HydrophobicContact CG2-CD2 3.96Å; I307-Y311 HydrophobicContact CG2-CE2 3.74Å; I307-Y311 VanDerWaalsContact O-CD2 3.24Å; I307-Y311 WeakPolarHBondContact O-CD2 3.46Å; I307-Y311 PolarHBondContact O-N 3.36Å; E308-Y311 PolarHBondContact O-N 3.26Å; Y309-Y311 PolarHBondContact O-N 3.43Å; Y311-K314 HydrophobicContact CD1-CD 4.43Å
312M96.4Very high94.1Very high60 Ų6062.6 Ų62.630%0.29631%0.31SS..Hα-helixtrans-66.5-45.4172.4-62.3-58.6-179.300111.2R230 M268 E308 Y309 K314 T315R230-M312 PolarHBondContact NH2-SD 2.86Å; M268-M312 HydrophobicContact CB-CB 3.74Å; M268-M312 HydrophobicContact CB-CG 4.32Å; M268-M312 HydrophobicContact CE-CB 4.42Å; M268-M312 HydrophobicContact CG-CB 4.38Å; E308-M312 WeakPolarHBondContact O-CG 2.97Å; E308-M312 PolarHBondContact O-N 3.36Å; E308-M312 VanDerWaalsContact O-N 3.15Å; Y309-M312 PolarHBondContact O-N 2.86Å; M312-K314 PolarHBondContact O-N 3.31Å; M312-T315 WeakPolarHBondContact O-CB 3.12Å; M312-T315 PolarHBondContact O-N 3.4Å; M312-T315 PolarHBondContact O-OG1 3.01Å
313W95.3Very high93.7Very high6 Ų666.4 Ų66.42%0.02332%0.321CS..Hα-helixtrans-58.8-33.6179.3177.288.1000113.3M268 F279 E280 L283 Y309 Y310 T315 T316 Y319M268-W313 VanDerWaalsContact CE-CA 3.5Å; M268-W313 HydrophobicContact CE-CB 4.28Å; F279-W313 HydrophobicContact CE1-CD2 4.12Å; F279-W313 HydrophobicContact CE1-CE3 4.07Å; F279-W313 HydrophobicContact CE1-CG 4.39Å; E280-W313 HydrophobicContact CG-CZ2 3.76Å; E280-W313 PolarHBondContact OE1-NE1 3.29Å; L283-W313 HydrophobicContact CD2-CE3 4.38Å; L283-W313 HydrophobicContact CD2-CH2 3.66Å; L283-W313 HydrophobicContact CD2-CZ3 3.43Å; L283-W313 VanDerWaalsContact CD2-CZ3 3.43Å; Y309-W313 HydrophobicContact CD1-CB 4.24Å; Y309-W313 HydrophobicContact CE1-CB 3.94Å; Y309-W313 HydrophobicContact CE1-CG 4.13Å; Y309-W313 WeakPolarHBondContact O-CB 3.45Å; Y309-W313 PolarHBondContact O-N 2.91Å; Y310-W313 PolarHBondContact O-N 3.09Å; W313-T315 PolarHBondContact O-N 3.42Å; W313-T316 WeakPolarHBondContact O-CB 3.44Å; W313-T316 WeakPolarHBondContact O-CG2 3.41Å; W313-T316 PolarHBondContact O-N 3.48Å; W313-T316 PolarHBondContact O-OG1 2.91Å; W313-Y319 AromaticContact CE3-CD2 3.92Å; W313-Y319 HydrophobicContact CE3-CD2 3.92Å; W313-Y319 HydrophobicContact CE3-CG 4.38Å; W313-Y319 AromaticContact CH2-CD2 3.48Å; W313-Y319 HydrophobicContact CH2-CD2 3.48Å; W313-Y319 VanDerWaalsContact CH2-CD2 3.48Å; W313-Y319 HydrophobicContact CH2-CE2 4.28Å; W313-Y319 HydrophobicContact CH2-CG 4.33Å; W313-Y319 HydrophobicContact CZ2-CD2 4.35Å; W313-Y319 AromaticContact CZ3-CD2 3.21Å; W313-Y319 HydrophobicContact CZ3-CD2 3.21Å; W313-Y319 AromaticContact CZ3-CE2 3.77Å; W313-Y319 HydrophobicContact CZ3-CE2 3.77Å; W313-Y319 HydrophobicContact CZ3-CG 4.06Å
314K95.1Very high93.3Very high70 Ų7072.7 Ų72.730%0.30434%0.341SS..THydrogen-bonded Turntrans-61.4-12.7173.5-79.5-179.370.2-1320115.2Y310 Y311 M312 Y319Y310-K314 HydrophobicContact CD1-CD 4.31Å; Y310-K314 HydrophobicContact CD2-CG 4.44Å; Y310-K314 HydrophobicContact CE1-CD 3.7Å; Y310-K314 HydrophobicContact CE2-CD 3.97Å; Y310-K314 HydrophobicContact CE2-CG 4.09Å; Y310-K314 WeakPolarHBondContact O-CG 3.14Å; Y310-K314 PolarHBondContact O-N 2.9Å; Y311-K314 HydrophobicContact CD1-CD 4.43Å; M312-K314 PolarHBondContact O-N 3.31Å; K314-Y319 HydrophobicContact CB-CD1 4.13Å; K314-Y319 HydrophobicContact CB-CE1 4.01Å; K314-Y319 HydrophobicContact CG-CD1 4.37Å; K314-Y319 HydrophobicContact CG-CD2 4.47Å; K314-Y319 HydrophobicContact CG-CE1 3.99Å; K314-Y319 HydrophobicContact CG-CE2 4.11Å; K314-Y319 WeakPolarHBondContact O-CD1 3.27Å; K314-Y319 WeakPolarHBondContact O-CE1 3.38Å
315T92.8Very high92.8Very high98 Ų9873.7 Ų73.760%0.60134%0.342SS*.THydrogen-bonded Turntrans-93.3-8.3176.167.80000112.7M312 W313M312-T315 WeakPolarHBondContact O-CB 3.12Å; M312-T315 PolarHBondContact O-N 3.4Å; M312-T315 PolarHBondContact O-OG1 3.01Å; W313-T315 PolarHBondContact O-N 3.42Å
316T90Very high92.3Very high33 Ų3379 Ų7920%0.20236%0.364CS..SBendtrans-68148-179.6610000112.5M268 W313 R318 Y319 V320M268-T316 HydrophobicContact CE-CG2 3.14Å; W313-T316 WeakPolarHBondContact O-CB 3.44Å; W313-T316 WeakPolarHBondContact O-CG2 3.41Å; W313-T316 PolarHBondContact O-N 3.48Å; W313-T316 PolarHBondContact O-OG1 2.91Å; T316-R318 PolarHBondContact O-N 2.9Å; T316-Y319 PolarHBondContact O-N 2.88Å; T316-Y319 VanDerWaalsContact O-N 3.15Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.28Å; T316-Y319 PolarHBondContact OG1-N 3.28Å; T316-V320 WeakPolarHBondContact O-CG2 3.19Å; T316-V320 PolarHBondContact O-N 3.15Å
317D88.5Confident91.6Very high127 Ų12781.3 Ų81.368%0.67938%0.383SS*.Hα-helixtrans-55.5-37.3171.6-70.4-37.6000111.9V320 Q321D317-V320 PolarHBondContact O-N 3.35Å; D317-Q321 WeakPolarHBondContact O-CB 3.4Å; D317-Q321 WeakPolarHBondContact O-CG 3.45Å; D317-Q321 PolarHBondContact O-N 3.23Å
318R85.5Confident91.1Very high156 Ų15681 Ų8159%0.58939%0.39SS*.Hα-helixtrans-58.5-49.1177-174.8174.2176.6129.2-3.1111.6E280 T316 Q321 Q322E280-R318 VanDerWaalsContact CD-NE 3.26Å; E280-R318 VanDerWaalsContact OE1-CD 3.27Å; E280-R318 WeakPolarHBondContact OE1-CD 3.47Å; E280-R318 IonicContact OE1-CZ 2.66Å; E280-R318 IonicContact OE1-NE 3.17Å; E280-R318 PolarHBondContact OE1-NE 3.37Å; E280-R318 IonicContact OE2-CZ 3.97Å; E280-R318 IonicContact OE2-NE 2.71Å; E280-R318 PolarHBondContact OE2-NE 3.18Å; E280-R318 IonicContact OE2-NH2 2.76Å; E280-R318 PolarHBondContact OE2-NH2 2.76Å; T316-R318 PolarHBondContact O-N 2.9Å; R318-Q321 PolarHBondContact O-N 3.42Å; R318-Q322 WeakPolarHBondContact O-CB 3.27Å; R318-Q322 PolarHBondContact O-N 3.33Å
319Y88.4Confident90.5Very high43 Ų4383.3 Ų83.317%0.16940%0.401CS..Hα-helixtrans-64-44.1175.4174.1-100.1000112.2W313 K314 T316 Q321 Q322 K323W313-Y319 AromaticContact CE3-CD2 3.92Å; W313-Y319 HydrophobicContact CE3-CD2 3.92Å; W313-Y319 HydrophobicContact CE3-CG 4.38Å; W313-Y319 AromaticContact CH2-CD2 3.48Å; W313-Y319 HydrophobicContact CH2-CD2 3.48Å; W313-Y319 VanDerWaalsContact CH2-CD2 3.48Å; W313-Y319 HydrophobicContact CH2-CE2 4.28Å; W313-Y319 HydrophobicContact CH2-CG 4.33Å; W313-Y319 HydrophobicContact CZ2-CD2 4.35Å; W313-Y319 AromaticContact CZ3-CD2 3.21Å; W313-Y319 HydrophobicContact CZ3-CD2 3.21Å; W313-Y319 AromaticContact CZ3-CE2 3.77Å; W313-Y319 HydrophobicContact CZ3-CE2 3.77Å; W313-Y319 HydrophobicContact CZ3-CG 4.06Å; K314-Y319 HydrophobicContact CB-CD1 4.13Å; K314-Y319 HydrophobicContact CB-CE1 4.01Å; K314-Y319 HydrophobicContact CG-CD1 4.37Å; K314-Y319 HydrophobicContact CG-CD2 4.47Å; K314-Y319 HydrophobicContact CG-CE1 3.99Å; K314-Y319 HydrophobicContact CG-CE2 4.11Å; K314-Y319 WeakPolarHBondContact O-CD1 3.27Å; K314-Y319 WeakPolarHBondContact O-CE1 3.38Å; T316-Y319 PolarHBondContact O-N 2.88Å; T316-Y319 VanDerWaalsContact O-N 3.15Å; T316-Y319 WeakPolarHBondContact OG1-CB 3.28Å; T316-Y319 PolarHBondContact OG1-N 3.28Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.21Å; Y319-Q322 PolarHBondContact O-N 3.34Å; Y319-K323 HydrophobicContact CE1-CD 4.28Å; Y319-K323 WeakPolarHBondContact O-CB 3.44Å; Y319-K323 PolarHBondContact O-N 3.05Å
320V90.1Very high89.7Confident47 Ų4785.4 Ų85.429%0.28542%0.419SS..Hα-helixtrans-60.9-43.2179.9173.70000110.7T316 D317 K323 R324T316-V320 WeakPolarHBondContact O-CG2 3.19Å; T316-V320 PolarHBondContact O-N 3.15Å; D317-V320 PolarHBondContact O-N 3.35Å; V320-K323 PolarHBondContact O-N 3.05Å; V320-R324 WeakPolarHBondContact O-CG 3.38Å; V320-R324 PolarHBondContact O-N 3.2Å
321Q88.1Confident88.7Confident118 Ų11891.4 Ų91.455%0.55145%0.448SS*.Hα-helixtrans-61.8-48.1174.2-73.4174.7800111.5D317 R318 Y319 K323 R324 L325D317-Q321 WeakPolarHBondContact O-CB 3.4Å; D317-Q321 WeakPolarHBondContact O-CG 3.45Å; D317-Q321 PolarHBondContact O-N 3.23Å; R318-Q321 PolarHBondContact O-N 3.42Å; Y319-Q321 VanDerWaalsContact C-N 3.32Å; Y319-Q321 PolarHBondContact O-N 3.21Å; Q321-K323 VanDerWaalsContact C-N 3.27Å; Q321-K323 PolarHBondContact O-N 3.31Å; Q321-R324 PolarHBondContact O-N 3.26Å; Q321-R324 VanDerWaalsContact O-N 3.15Å; Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 3.16Å
322Q86.3Confident87.7Confident44 Ų4489.2 Ų89.221%0.20645%0.453CS..Hα-helixtrans-58.2-40.8177.1-164.3-169.721.900111.7E284 R318 Y319 L325 K326E284-Q322 PolarHBondContact OE1-NE2 2.96Å; R318-Q322 WeakPolarHBondContact O-CB 3.27Å; R318-Q322 PolarHBondContact O-N 3.33Å; Y319-Q322 PolarHBondContact O-N 3.34Å; Q322-L325 PolarHBondContact O-N 3.42Å; Q322-K326 WeakPolarHBondContact O-CG 3.44Å; Q322-K326 PolarHBondContact O-N 3.38Å
323K87.9Confident87.1Confident133 Ų13391 Ų9158%0.57846%0.459SS*.Hα-helixtrans-67.3-41.4176.5-171.6-177.5176.2-170.70112.1Y319 V320 Q321 K326 A327Y319-K323 HydrophobicContact CE1-CD 4.28Å; Y319-K323 WeakPolarHBondContact O-CB 3.44Å; Y319-K323 PolarHBondContact O-N 3.05Å; V320-K323 PolarHBondContact O-N 3.05Å; Q321-K323 VanDerWaalsContact C-N 3.27Å; Q321-K323 PolarHBondContact O-N 3.31Å; K323-K326 PolarHBondContact O-N 3.04Å; K323-A327 WeakPolarHBondContact O-CB 3.22Å; K323-A327 PolarHBondContact O-N 2.91Å
324R89.9Confident86.8Confident178 Ų17893.2 Ų93.267%0.67247%0.471SS*.Hα-helixtrans-61.8-43.5175.1-75.6175.9-178.2173.32.9111.4V320 Q321 A327 A328V320-R324 WeakPolarHBondContact O-CG 3.38Å; V320-R324 PolarHBondContact O-N 3.2Å; Q321-R324 PolarHBondContact O-N 3.26Å; Q321-R324 VanDerWaalsContact O-N 3.15Å; R324-A327 PolarHBondContact O-N 3.4Å; R324-A328 WeakPolarHBondContact O-CB 3.35Å; R324-A328 PolarHBondContact O-N 3.45Å
325L88.5Confident86.6Confident126 Ų12696.1 Ų96.166%0.6648%0.484SS*.Hα-helixtrans-62.3-46.7176.2-69.8171.7000111.6Q321 Q322 A327 A328 E329Q321-L325 WeakPolarHBondContact O-CG 3.4Å; Q321-L325 PolarHBondContact O-N 3.16Å; Q322-L325 PolarHBondContact O-N 3.42Å; L325-A327 VanDerWaalsContact C-N 3.31Å; L325-A327 PolarHBondContact O-N 3.38Å; L325-A328 PolarHBondContact O-N 3.02Å; L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 PolarHBondContact O-N 3.22Å
326K86.8Confident86.5Confident116 Ų11695.3 Ų95.350%0.50447%0.473SS..Hα-helixtrans-62.1-36.5175.1-75.2178.3177.3172.20112.8Q322 K323 A330Q322-K326 WeakPolarHBondContact O-CG 3.44Å; Q322-K326 PolarHBondContact O-N 3.38Å; K323-K326 PolarHBondContact O-N 3.04Å; K326-A330 WeakPolarHBondContact O-CB 3.37Å; K326-A330 PolarHBondContact O-N 3.1Å
327A84.9Confident86.7Confident49 Ų4994.4 Ų94.441%0.40547%0.468SS..Hα-helixtrans-68.4-43.8175.500000111.7K323 R324 L325 E329 A330 E331K323-A327 WeakPolarHBondContact O-CB 3.22Å; K323-A327 PolarHBondContact O-N 2.91Å; R324-A327 PolarHBondContact O-N 3.4Å; L325-A327 VanDerWaalsContact C-N 3.31Å; L325-A327 PolarHBondContact O-N 3.38Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 2.88Å; A327-A330 CarbonylContact O-C 3.53Å; A327-A330 PolarHBondContact O-N 3.08Å; A327-A330 VanDerWaalsContact O-N 3.14Å; A327-E331 WeakPolarHBondContact O-CG 3.45Å; A327-E331 PolarHBondContact O-N 3.24Å
328A87.4Confident86.9Confident54 Ų5494.4 Ų94.445%0.44646%0.459SS..Hα-helixtrans-61.5-40.317500000111.8R324 L325 E331 S332R324-A328 WeakPolarHBondContact O-CB 3.35Å; R324-A328 PolarHBondContact O-N 3.45Å; L325-A328 PolarHBondContact O-N 3.02Å; A328-E331 PolarHBondContact O-N 3.11Å; A328-S332 PolarHBondContact O-N 2.84Å
329E85.6Confident87.2Confident132 Ų13287.5 Ų87.562%0.61743%0.434SS*.Hα-helixtrans-61.4-43.8172.2-171.3-174172.600111.4L325 A327 E331 S332L325-E329 WeakPolarHBondContact O-CB 3.48Å; L325-E329 PolarHBondContact O-N 3.22Å; A327-E329 VanDerWaalsContact C-N 3.32Å; A327-E329 PolarHBondContact O-N 2.88Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E329-E331 PolarHBondContact O-N 3.15Å; E329-S332 WeakPolarHBondContact O-CB 3.32Å; E329-S332 PolarHBondContact O-N 2.98Å; E329-S332 PolarHBondContact O-OG 3.48Å
330A80.3Confident87.1Confident52 Ų5289.2 Ų89.243%0.4345%0.45SS..Hα-helixtrans-66.3-34.3175.700000113K326 A327 S332 K333K326-A330 WeakPolarHBondContact O-CB 3.37Å; K326-A330 PolarHBondContact O-N 3.1Å; A327-A330 CarbonylContact O-C 3.53Å; A327-A330 PolarHBondContact O-N 3.08Å; A327-A330 VanDerWaalsContact O-N 3.14Å; A330-S332 VanDerWaalsContact C-N 3.28Å; A330-S332 PolarHBondContact O-N 3.23Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.37Å; A330-K333 WeakPolarHBondContact O-CG 3.48Å; A330-K333 PolarHBondContact O-N 2.89Å
331E78Confident86.6Confident138 Ų13892.2 Ų92.265%0.64547%0.469SS*.Hα-helixtrans-69.5-26.1174.2-76-175.1168.500113.1A327 A328 E329 K333A327-E331 WeakPolarHBondContact O-CG 3.45Å; A327-E331 PolarHBondContact O-N 3.24Å; A328-E331 PolarHBondContact O-N 3.11Å; E329-E331 VanDerWaalsContact C-N 3.34Å; E329-E331 PolarHBondContact O-N 3.15Å; E331-K333 PolarHBondContact O-N 3Å
332S76.8Confident85.7Confident94 Ų9493 Ų9366%0.65747%0.468SS*.THydrogen-bonded Turntrans-70.3-14.7172.982.80000113.3A328 E329 A330A328-S332 PolarHBondContact O-N 2.84Å; E329-S332 WeakPolarHBondContact O-CB 3.32Å; E329-S332 PolarHBondContact O-N 2.98Å; E329-S332 PolarHBondContact O-OG 3.48Å; A330-S332 VanDerWaalsContact C-N 3.28Å; A330-S332 PolarHBondContact O-N 3.23Å
333K83.6Confident84.6Confident96 Ų9696.3 Ų96.342%0.41750%0.495SS..SBendtrans-66.7147.4175.5-62.9-175.7173.7-168.60111.1E29 A330 E331 K335E29-K333 WeakPolarHBondContact OE1-CD 3.44Å; E29-K333 IonicContact OE1-NZ 3.49Å; E29-K333 PolarHBondContact OE1-NZ 3.36Å; A330-K333 VanDerWaalsContact O-CB 3.28Å; A330-K333 WeakPolarHBondContact O-CB 3.37Å; A330-K333 WeakPolarHBondContact O-CG 3.48Å; A330-K333 PolarHBondContact O-N 2.89Å; E331-K333 PolarHBondContact O-N 3Å; K333-K335 PolarHBondContact O-N 2.82Å; K333-K335 VanDerWaalsContact O-N 3.17Å
334L87.9Confident83.8Confident54 Ų5497.4 Ų97.428%0.28350%0.5SS..BIsolated β-bridgetrans-64119.6-179.3-123.990.7000110L30 K32 V38 Q336 V337L30-L334 HydrophobicContact CB-CB 3.91Å; L30-L334 WeakPolarHBondContact CB-O 3.47Å; L30-L334 WeakPolarHBondContact O-CB 3.22Å; K32-L334 HydrophobicContact CB-CD1 4.15Å; K32-L334 HydrophobicContact CD-CD1 4.31Å; V38-L334 HydrophobicContact CG1-CD2 4.06Å; V38-L334 HydrophobicContact CG2-CD2 4.13Å; L334-Q336 VanDerWaalsContact CD2-O 3.26Å; L334-Q336 WeakPolarHBondContact CD2-O 3.49Å; L334-V337 HydrophobicContact CD2-CB 4.25Å
335K91.2Very high83.1Confident130 Ų13094.5 Ų94.557%0.56550%0.504SS*.  trans-91.4-22.4175-65-178.5-178.1176.90112.9R7 V8 K333R7-K335 WeakPolarHBondContact CA-O 3.46Å; V8-K335 PolarHBondContact N-O 3.43Å; K333-K335 PolarHBondContact O-N 2.82Å; K333-K335 VanDerWaalsContact O-N 3.17Å
336Q91.8Very high82.7Confident81 Ų8190.2 Ų90.238%0.37948%0.482SS..EExtended strand (participates in β ladder)trans-149.5153.6-178.167.6-175.2-6.800112M5 Y6 R7 L334M5-Q336 HydrophobicContact SD-CB 4.09Å; M5-Q336 HydrophobicContact SD-CG 4.02Å; Y6-Q336 CarbonylContact O-C 3.59Å; Y6-Q336 WeakPolarHBondContact O-CA 3.2Å; Y6-Q336 WeakPolarHBondContact O-CB 3.41Å; R7-Q336 HydrophobicContact CG-CB 3.96Å; L334-Q336 VanDerWaalsContact CD2-O 3.26Å; L334-Q336 WeakPolarHBondContact CD2-O 3.49Å
337V93.6Very high82.6Confident14 Ų1489.1 Ų89.19%0.08549%0.487CS..EExtended strand (participates in β ladder)trans-137137.9176.9640000110.4Y6 L30 V38 A102 L334 I339Y6-V337 PolarHBondContact N-O 3.27Å; Y6-V337 PolarHBondContact O-N 2.96Å; L30-V337 HydrophobicContact CD1-CB 4.21Å; L30-V337 HydrophobicContact CD1-CG1 3.9Å; L30-V337 HydrophobicContact CD2-CG1 4.01Å; V38-V337 HydrophobicContact CB-CG2 4.17Å; V38-V337 HydrophobicContact CG1-CB 4.32Å; V38-V337 HydrophobicContact CG1-CG2 4.03Å; V38-V337 HydrophobicContact CG2-CG2 4.1Å; A102-V337 HydrophobicContact CB-CG1 4.41Å; L334-V337 HydrophobicContact CD2-CB 4.25Å; V337-I339 HydrophobicContact CG1-CD1 4.23Å; V337-I339 HydrophobicContact CG1-CG1 4.26Å; V337-I339 HydrophobicContact CG2-CG1 4.3Å
338Y92.8Very high82.6Confident128 Ų12888 Ų8850%0.50247%0.474SS..EExtended strand (participates in β ladder)trans-94.3127.9169.6179.8-97.4000109.7N4 M5 P340N4-Y338 HydrophobicContact CB-CD2 3.91Å; N4-Y338 HydrophobicContact CB-CE2 3.4Å; N4-Y338 WeakPolarHBondContact O-CA 3.46Å; M5-Y338 HydrophobicContact CE-CD2 4.2Å; Y338-P340 HydrophobicContact CD1-CG 4.31Å; Y338-P340 HydrophobicContact CE1-CB 4.45Å; Y338-P340 HydrophobicContact CE1-CG 4.03Å
339I90.9Very high82.6Confident11 Ų1189.2 Ų89.26%0.05647%0.471CS..  trans-117.8111.8-179.5-58.1170.5000108.7N4 Y6 A102 I105 V337N4-I339 VanDerWaalsContact CB-O 3.32Å; N4-I339 WeakPolarHBondContact CB-O 3.28Å; N4-I339 PolarHBondContact O-N 3.26Å; Y6-I339 HydrophobicContact CD2-CB 4.26Å; Y6-I339 HydrophobicContact CD2-CD1 3.6Å; Y6-I339 HydrophobicContact CD2-CG1 3.98Å; Y6-I339 HydrophobicContact CE2-CB 3.99Å; Y6-I339 HydrophobicContact CE2-CD1 3.84Å; Y6-I339 HydrophobicContact CE2-CG1 4.19Å; Y6-I339 HydrophobicContact CG-CD1 4.36Å; A102-I339 HydrophobicContact CB-CD1 4.26Å; A102-I339 WeakPolarHBondContact O-CD1 3.34Å; I105-I339 HydrophobicContact CB-CD1 3.69Å; I105-I339 HydrophobicContact CD1-CD1 3.82Å; I105-I339 HydrophobicContact CG1-CD1 4.23Å; I105-I339 HydrophobicContact CG2-CD1 4.31Å; V337-I339 HydrophobicContact CG1-CD1 4.23Å; V337-I339 HydrophobicContact CG1-CG1 4.26Å; V337-I339 HydrophobicContact CG2-CG1 4.3Å
340P86.4Confident82.6Confident79 Ų7985.9 Ų85.951%0.51346%0.456SS..  trans-60.1147.7176.4-21.832.1000112.4Y338 Y342Y338-P340 HydrophobicContact CD1-CG 4.31Å; Y338-P340 HydrophobicContact CE1-CB 4.45Å; Y338-P340 HydrophobicContact CE1-CG 4.03Å; P340-Y342 PolarHBondContact O-N 2.91Å; P340-Y342 VanDerWaalsContact O-N 3.15Å
341T79.7Confident82.5Confident110 Ų11088.6 Ų88.668%0.67547%0.472SS*.  trans-62.8115.8176.4-47.80000110.3N4 S343N4-T341 PolarHBondContact ND2-OG1 3.29Å; N4-T341 VanDerWaalsContact ND2-OG1 3.15Å; T341-S343 PolarHBondContact O-N 3.16Å
342Y68.6Low81.6Confident134 Ų13486.2 Ų86.253%0.52547%0.467SS..  trans-88.899.3-179.6-121.5-86.2000110.5R106 P340 K344R106-Y342 VanDerWaalsContact NH1-CB 3.31Å; P340-Y342 PolarHBondContact O-N 2.91Å; P340-Y342 VanDerWaalsContact O-N 3.15Å; Y342-K344 HydrophobicContact CD1-CD 4.22Å; Y342-K344 HydrophobicContact CD1-CG 4.11Å; Y342-K344 HydrophobicContact CE1-CD 4.26Å; Y342-K344 HydrophobicContact CE1-CG 4.41Å; Y342-K344 PolarHBondContact O-N 3.32Å
343S64.1Low80Confident113 Ų11387.1 Ų87.179%0.7947%0.473SS*.  trans-90.365.1177.357.90000111.8T341T341-S343 PolarHBondContact O-N 3.16Å
344K71.8Confident78Confident156 Ų15689.9 Ų89.968%0.67849%0.493SS*.PPolyproline II helixtrans-82.7137.4166.7-84.1-178.7173.2176.60109.5Y342 N346Y342-K344 HydrophobicContact CD1-CD 4.22Å; Y342-K344 HydrophobicContact CD1-CG 4.11Å; Y342-K344 HydrophobicContact CE1-CD 4.26Å; Y342-K344 HydrophobicContact CE1-CG 4.41Å; Y342-K344 PolarHBondContact O-N 3.32Å; K344-N346 PolarHBondContact O-N 3.48Å
345P73.8Confident75.6Confident117 Ų11791 Ų9176%0.7652%0.517SS*.PPolyproline II helixtrans-58128.6175.721.9-30.1000109.7P347P345-P347 WeakPolarHBondContact O-CD 3.37Å
346N80.9Confident72.6Confident37 Ų3794.2 Ų94.220%0.19853%0.531CS..PPolyproline II helixtrans-75.4120.6-179-179.7-10.3000108.4K344 N348 Q349 Y391 W407K344-N346 PolarHBondContact O-N 3.48Å; N346-N348 PolarHBondContact O-N 3.06Å; N346-N348 VanDerWaalsContact O-N 3.08Å; N346-N348 PolarHBondContact OD1-N 2.77Å; N346-Q349 HydrophobicContact CB-CB 4.33Å; N346-Q349 WeakPolarHBondContact O-CB 3.44Å; N346-Q349 PolarHBondContact O-N 2.68Å; N346-Y391 HydrophobicContact CB-CE1 4.39Å; N346-Y391 WeakPolarHBondContact ND2-CE1 3.49Å; N346-W407 PolarHBondContact ND2-NE1 3.06Å
347P84.2Confident70.1Confident92 Ų9296.7 Ų96.760%0.59755%0.554SS**THydrogen-bonded Turntrans-62.4-19.4-178.325.9-35.5000113.4S18 P345 Q349S18-P347 WeakPolarHBondContact OG-CG 3.49Å; P345-P347 WeakPolarHBondContact O-CD 3.37Å; P347-Q349 VanDerWaalsContact C-N 3.33Å
348N85.8Confident67.1Low25 Ų2599.4 Ų99.413%0.13459%0.585CS.*THydrogen-bonded Turntrans-88.20.4177.3-58.8-45.7000112.8S19 N346 I350 Y391 S392 W407S19-N348 PolarHBondContact OG-ND2 3.1Å; S19-N348 VanDerWaalsContact OG-ND2 3.07Å; N346-N348 PolarHBondContact O-N 3.06Å; N346-N348 VanDerWaalsContact O-N 3.08Å; N346-N348 PolarHBondContact OD1-N 2.77Å; N348-I350 PolarHBondContact O-N 3.26Å; N348-Y391 CarbonylContact O-C 3.46Å; N348-Y391 WeakPolarHBondContact O-CA 3.4Å; N348-S392 WeakPolarHBondContact CA-OG 3.38Å; N348-S392 PolarHBondContact O-N 3.15Å; N348-S392 PolarHBondContact O-OG 3.24Å; N348-W407 HydrophobicContact CB-CH2 3.63Å; N348-W407 HydrophobicContact CB-CZ2 4.04Å; N348-W407 HydrophobicContact CB-CZ3 4.27Å; N348-W407 WeakPolarHBondContact ND2-CH2 3.34Å
349Q87.1Confident64.1Low81 Ų8198.3 Ų98.338%0.37960%0.602SS.*EExtended strand (participates in β ladder)trans-74.7124.1178.7-167.5174-4.500110.4N346 P347 Q389 Y391N346-Q349 HydrophobicContact CB-CB 4.33Å; N346-Q349 WeakPolarHBondContact O-CB 3.44Å; N346-Q349 PolarHBondContact O-N 2.68Å; P347-Q349 VanDerWaalsContact C-N 3.33Å; Q349-Q389 HydrophobicContact CG-CG 3.93Å; Q349-Y391 HydrophobicContact CB-CD1 4.27Å; Q349-Y391 HydrophobicContact CB-CE1 4.05Å; Q349-Y391 HydrophobicContact CG-CE1 4.16Å
350I85.1Confident61.5Low61 Ų61104.5 Ų104.531%0.31364%0.64SS.*EExtended strand (participates in β ladder)trans-86.5116.3177.4-59.1169.6000108.4N348 T352 Q389 W390 R401N348-I350 PolarHBondContact O-N 3.26Å; I350-T352 PolarHBondContact O-N 2.98Å; I350-Q389 PolarHBondContact O-NE2 2.77Å; I350-W390 HydrophobicContact CB-CB 4.13Å; I350-W390 HydrophobicContact CD1-CB 4.1Å; I350-W390 PolarHBondContact N-O 3.28Å; I350-R401 HydrophobicContact CD1-CB 4.18Å
351S77.8Confident58.8Low110 Ų110108.8 Ų108.877%0.76966%0.659SS**PPolyproline II helixtrans-69.7116.8176.2-57.20000110.6S353S351-S353 PolarHBondContact O-N 2.67Å
352T59.9Low56.3Low87 Ų87107.4 Ų107.453%0.53467%0.666SS.*  trans-84.988.5167.550.70000108.6I350 N354I350-T352 PolarHBondContact O-N 2.98Å; T352-N354 PolarHBondContact O-N 3.06Å
353S44Very low54.3Low113 Ų113105.6 Ų105.679%0.7968%0.679SS**  trans-73.1105165.847.30000108.8S351 G355S351-S353 PolarHBondContact O-N 2.67Å; S353-G355 PolarHBondContact O-N 3.24Å; S353-G355 VanDerWaalsContact O-N 3.13Å
354N40Very low52.8Low155 Ų155107.5 Ų107.583%0.82969%0.686SS**  trans-61.2111.7165-82.2-14.4000108.5T352 K356T352-N354 PolarHBondContact O-N 3.06Å; N354-K356 PolarHBondContact O-N 2.71Å
355G37.7Very low50.7Low76 Ų76103.4 Ų103.478%0.78469%0.687SS**  trans-62.4119.3170.900000110.6S353S353-G355 PolarHBondContact O-N 3.24Å; S353-G355 VanDerWaalsContact O-N 3.13Å
356K29Very low48.6Very low199 Ų199104.3 Ų104.387%0.86569%0.691SS**  trans-75.5143.4154.1-81.6-176173.9-178.60108.4N354 G358N354-K356 PolarHBondContact O-N 2.71Å; K356-G358 PolarHBondContact O-N 3.18Å; K356-G358 VanDerWaalsContact O-N 3.09Å
357P39.4Very low46.4Very low133 Ų133108.5 Ų108.586%0.86472%0.718SS**  trans-73.8102.4173.730.2-29.6000108.7
358G30.2Very low43.8Very low70 Ų70114.1 Ų114.172%0.72273%0.734SS**PPolyproline II helixtrans-93.8119.1169.600000109.5K356K356-G358 PolarHBondContact O-N 3.18Å; K356-G358 VanDerWaalsContact O-N 3.09Å
359A30.7Very low41.2Very low106 Ų106121.8 Ų121.888%0.87677%0.769SS**PPolyproline II helixtrans-52.1136.1-175.300000113.9
360V35.3Very low38.4Very low140 Ų140126 Ų12685%0.84879%0.793SS**PPolyproline II helixtrans-94.8134.4167.1-76.50000109.7
361N29.2Very low35.9Very low169 Ų169131.3 Ų131.390%0.90482%0.817SS**  trans-130115.3164.8-105.6-14.3000108.8
362G27.9Very low33.9Very low81 Ų81132 Ų13284%0.83581%0.812SS**  trans62.4139.6162.600000118
363A27.6Very low33.1Very low96 Ų96132.9 Ų132.979%0.79382%0.819SS**  cis-161.8146.610.900000109.9
364V31.3Very low33.4Very low154 Ų154132.8 Ų132.893%0.93381%0.809SS**  trans30.9117152.2-167.70000120
365G28.8Very low34Very low69 Ų69133.5 Ų133.571%0.71181%0.812SS**  trans169.477.8161.600000116
366T29.3Very low35.1Very low137 Ų137132.5 Ų132.584%0.8480%0.801SS**  trans30.8105.3151.846.80000121.1
367T33.8Very low37.3Very low125 Ų125129.5 Ų129.577%0.76778%0.784SS**  trans1.2108.2145.844.70000120.7
368F29.8Very low39.6Very low209 Ų209124.5 Ų124.592%0.91775%0.754SS**  trans-138.2109131-101.3-89.2000107.8L370F368-L370 PolarHBondContact O-N 3.01Å
369Q30.5Very low42.6Very low186 Ų186121.1 Ų121.187%0.86972%0.72SS**  trans-74.6106173.5-77.1-177.6-22.600109.3
370L28.8Very low45.4Very low169 Ų169117.8 Ų117.889%0.88569%0.686SS**  trans-92.4110.2155.6-131.694.1000107.2F368 N372F368-L370 PolarHBondContact O-N 3.01Å; L370-N372 PolarHBondContact O-N 3.07Å
371Q33.1Very low48Very low174 Ų174111.1 Ų111.181%0.81365%0.645SS**  trans-58129.8169.4-86.2173.80.300109.7P373Q371-P373 WeakPolarHBondContact O-CD 3.23Å
372N35.8Very low50.9Low124 Ų124105.5 Ų105.566%0.66362%0.619SS**  trans-74.8107.5172-157.13000108.5L370 L374L370-N372 PolarHBondContact O-N 3.07Å; N372-L374 VanDerWaalsContact C-N 3.27Å; N372-L374 PolarHBondContact O-N 2.99Å
373P43.9Very low53.9Low106 Ų106106.7 Ų106.769%0.68860%0.599SS**THydrogen-bonded Turntrans-80.63.1-167.1-10.928.3000115.1Q371 L375Q371-P373 WeakPolarHBondContact O-CD 3.23Å; P373-L375 PolarHBondContact O-N 2.82Å
374L49.4Very low56.8Low111 Ų111103.9 Ų103.958%0.58158%0.576SS**THydrogen-bonded Turntrans-83.2-10.2-166.3-85.8143.7000115.1N372N372-L374 VanDerWaalsContact C-N 3.27Å; N372-L374 PolarHBondContact O-N 2.99Å
375L52.3Low59.5Low170 Ų170101 Ų10189%0.8956%0.558SS**SBendtrans-104.775.7-179.3-86.3144.7000110.5P373P373-L375 PolarHBondContact O-N 2.82Å
376G60Low62.3Low54 Ų54105.7 Ų105.756%0.55756%0.562SS**  trans168.5-14.2171.100000119.1A378G376-A378 PolarHBondContact O-N 3.09Å
377R76.8Confident65.2Low136 Ų136100.7 Ų100.751%0.51353%0.533SS..PPolyproline II helixtrans-66.3126.9-176.3-115.7-170.3-169-102.6-2.1112.5E380 R401R377-E380 IonicContact CZ-OE1 3.28Å; R377-E380 IonicContact NH1-OE1 2.83Å; R377-E380 PolarHBondContact NH1-OE1 3.48Å; R377-E380 IonicContact NH1-OE2 3.67Å; R377-R401 PolarHBondContact O-NE 2.93Å; R377-R401 PolarHBondContact O-NH2 2.89Å
378A88.1Confident67.9Low28 Ų28102.1 Ų102.123%0.23153%0.53CS..PPolyproline II helixtrans-66163173.800000111.5G376 E380 Y383 A384 T385G376-A378 PolarHBondContact O-N 3.09Å; A378-E380 PolarHBondContact O-N 3.36Å; A378-Y383 WeakPolarHBondContact CB-O 3.42Å; A378-A384 CarbonylContact C-O 3.58Å; A378-A384 WeakPolarHBondContact CA-O 3.33Å; A378-T385 HydrophobicContact CB-CG2 4.18Å
379C91.5Very high70.8Confident0 Ų093.4 Ų93.40%049%0.492CS..PPolyproline II helixtrans-61.7129.6171.1174.60000110.3S381 C382 Y383 A384 W390 C403C379-S381 PolarHBondContact O-N 2.98Å; C379-S381 PolarHBondContact SG-N 3.4Å; C379-C382 PolarHBondContact O-N 3.11Å; C379-Y383 WeakPolarHBondContact O-CA 3.19Å; C379-Y383 PolarHBondContact O-N 3.3Å; C379-A384 PolarHBondContact N-O 3.5Å; C379-W390 HydrophobicContact CB-CH2 4.37Å; C379-W390 HydrophobicContact CB-CZ3 4Å; C379-C403 HydrophobicContact CB-CB 4.17Å; C379-C403 PolarHBondContact SG-N 3.2Å; C379-C403 VanDerWaalsContact SG-N 3.35Å
380E91.1Very high73.7Confident35 Ų3585.4 Ų85.416%0.16445%0.454CS..THydrogen-bonded Turntrans-62.6-18.4-178.6-63.9-57.9153.800114.4R377 A378 C400 R401 L402R377-E380 IonicContact CZ-OE1 3.28Å; R377-E380 IonicContact NH1-OE1 2.83Å; R377-E380 PolarHBondContact NH1-OE1 3.48Å; R377-E380 IonicContact NH1-OE2 3.67Å; A378-E380 PolarHBondContact O-N 3.36Å; E380-C400 HydrophobicContact CG-CB 3.85Å; E380-R401 PolarHBondContact N-O 2.91Å; E380-R401 VanDerWaalsContact N-O 3.13Å; E380-L402 HydrophobicContact CB-CD2 4.07Å
381S89.6Confident76.7Confident0 Ų079.1 Ų79.10%042%0.419CS..THydrogen-bonded Turntrans-101.9-30-177.8-179.60000114.7C379 K417 M418C379-S381 PolarHBondContact O-N 2.98Å; C379-S381 PolarHBondContact SG-N 3.4Å; S381-K417 WeakPolarHBondContact OG-CB 3.41Å; S381-K417 PolarHBondContact OG-N 3.35Å; S381-M418 VanDerWaalsContact O-CB 3.22Å; S381-M418 WeakPolarHBondContact O-CB 3.49Å; S381-M418 WeakPolarHBondContact O-CG 3.38Å
382C90.3Very high79.5Confident52 Ų5273 Ų7335%0.35140%0.396SS..THydrogen-bonded Turntrans-130.30.4-174.866.50000113.2C379 A384 C403C379-C382 PolarHBondContact O-N 3.11Å; C382-A384 PolarHBondContact O-N 3.44Å; C382-A384 VanDerWaalsContact SG-CB 3.53Å; C382-C403 VanDerWaalsContact SG-SG 3.64Å
383Y89.8Confident82Confident106 Ų10670.2 Ų70.242%0.41638%0.376SS..  trans5515.9-177.6-51.9-74000115A378 C379A378-Y383 WeakPolarHBondContact CB-O 3.42Å; C379-Y383 WeakPolarHBondContact O-CA 3.19Å; C379-Y383 PolarHBondContact O-N 3.3Å
384A88.6Confident83.8Confident36 Ų3667.5 Ų67.530%0.29837%0.367SS..  trans-65.4137171.400000110.2A378 C379 C382 W390A378-A384 CarbonylContact C-O 3.58Å; A378-A384 WeakPolarHBondContact CA-O 3.33Å; C379-A384 PolarHBondContact N-O 3.5Å; C382-A384 PolarHBondContact O-N 3.44Å; C382-A384 VanDerWaalsContact SG-CB 3.53Å; A384-W390 WeakPolarHBondContact O-CH2 3.49Å
385T87.9Confident85.2Confident93 Ų9365.5 Ų65.557%0.57136%0.361SS*.SBendtrans-96-8.6176.851.40000112.9A378 W390A378-T385 HydrophobicContact CB-CG2 4.18Å; T385-W390 WeakPolarHBondContact O-CZ2 3.28Å
386Q87.9Confident86.2Confident168 Ų16863.3 Ų63.379%0.78536%0.357SS*.  trans-121137.9-179.3-58.8-176.534.800110.6
387S89.9Confident86.9Confident33 Ų3367 Ų6723%0.23136%0.364CS..  trans-159143.3174.4-173.40000108.9Q389 C403 A404S387-Q389 WeakPolarHBondContact CB-O 3.26Å; S387-Q389 PolarHBondContact O-N 2.93Å; S387-Q389 PolarHBondContact OG-N 3.41Å; S387-Q389 PolarHBondContact OG-O 3.04Å; S387-C403 WeakPolarHBondContact OG-CA 3.48Å; S387-C403 WeakPolarHBondContact OG-CB 3.49Å; S387-A404 PolarHBondContact OG-N 3.11Å; S387-A404 VanDerWaalsContact OG-N 3.12Å
388H90.9Very high86.9Confident154 Ų15466 Ų6671%0.71337%0.366SS*.SBendtrans-66.6-24.3173.963.4-93.4000112.3A404H388-A404 WeakPolarHBondContact CE1-CB 3.3Å; H388-A404 WeakPolarHBondContact NE2-CB 3.41Å
389Q91.1Very high86.5Confident26 Ų2670.7 Ų70.712%0.12138%0.384CS..SBendtrans-146.9141.2175.5-175.356.466.600110.5Q349 I350 S387 Y391 A404Q349-Q389 HydrophobicContact CG-CG 3.93Å; I350-Q389 PolarHBondContact O-NE2 2.77Å; S387-Q389 WeakPolarHBondContact CB-O 3.26Å; S387-Q389 PolarHBondContact O-N 2.93Å; S387-Q389 PolarHBondContact OG-N 3.41Å; S387-Q389 PolarHBondContact OG-O 3.04Å; Q389-Y391 HydrophobicContact CB-CE2 4.22Å; Q389-Y391 HydrophobicContact CG-CD2 4.39Å; Q389-Y391 HydrophobicContact CG-CE1 4.36Å; Q389-Y391 HydrophobicContact CG-CE2 3.68Å; Q389-A404 HydrophobicContact CB-CB 4.34Å; Q389-A404 PolarHBondContact O-N 2.85Å
390W91.6Very high86.3Confident18 Ų1871.6 Ų71.67%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-111.8145.1175.3-67.295.9000111.1I350 C379 A384 T385 R401 C403I350-W390 HydrophobicContact CB-CB 4.13Å; I350-W390 HydrophobicContact CD1-CB 4.1Å; I350-W390 PolarHBondContact N-O 3.28Å; C379-W390 HydrophobicContact CB-CH2 4.37Å; C379-W390 HydrophobicContact CB-CZ3 4Å; A384-W390 WeakPolarHBondContact O-CH2 3.49Å; T385-W390 WeakPolarHBondContact O-CZ2 3.28Å; W390-R401 HydrophobicContact CE3-CB 4.27Å; W390-R401 HydrophobicContact CE3-CG 3.73Å; W390-R401 HydrophobicContact CZ3-CG 3.92Å; W390-C403 HydrophobicContact CZ3-CB 4.24Å
391Y91.7Very high86.2Confident37 Ų3771.6 Ų71.615%0.14539%0.388CS..EExtended strand (participates in β ladder)trans-125136.6176-62.6-88000110.9N346 N348 Q349 Q389 R401 L402 A404 W407N346-Y391 HydrophobicContact CB-CE1 4.39Å; N346-Y391 WeakPolarHBondContact ND2-CE1 3.49Å; N348-Y391 CarbonylContact O-C 3.46Å; N348-Y391 WeakPolarHBondContact O-CA 3.4Å; Q349-Y391 HydrophobicContact CB-CD1 4.27Å; Q349-Y391 HydrophobicContact CB-CE1 4.05Å; Q349-Y391 HydrophobicContact CG-CE1 4.16Å; Q389-Y391 HydrophobicContact CB-CE2 4.22Å; Q389-Y391 HydrophobicContact CG-CD2 4.39Å; Q389-Y391 HydrophobicContact CG-CE1 4.36Å; Q389-Y391 HydrophobicContact CG-CE2 3.68Å; Y391-R401 CarbonylContact O-C 3.58Å; Y391-R401 VanDerWaalsContact O-CA 3.24Å; Y391-R401 WeakPolarHBondContact O-CA 3.45Å; Y391-L402 PolarHBondContact N-O 2.94Å; Y391-L402 PolarHBondContact O-N 3.39Å; Y391-A404 HydrophobicContact CE2-CB 4.19Å; Y391-W407 VanDerWaalsContact CB-CD2 3.48Å; Y391-W407 AromaticContact CD1-CD1 3.99Å; Y391-W407 AromaticContact CD1-CD2 3.93Å; Y391-W407 HydrophobicContact CD1-CD2 3.93Å; Y391-W407 AromaticContact CD1-CE2 3.85Å; Y391-W407 HydrophobicContact CD1-CG 4.03Å; Y391-W407 HydrophobicContact CD1-CZ2 4.41Å; Y391-W407 AromaticContact CD1-NE1 3.87Å; Y391-W407 HydrophobicContact CD2-CB 3.44Å; Y391-W407 VanDerWaalsContact CD2-CB 3.44Å; Y391-W407 AromaticContact CD2-CD1 3.76Å; Y391-W407 HydrophobicContact CD2-CD2 4.02Å; Y391-W407 AromaticContact CD2-CG 3.43Å; Y391-W407 HydrophobicContact CD2-CG 3.43Å; Y391-W407 VanDerWaalsContact CD2-CG 3.43Å; Y391-W407 HydrophobicContact CE1-CG 4.49Å; Y391-W407 HydrophobicContact CE2-CB 4.04Å; Y391-W407 AromaticContact CE2-CD1 3.81Å; Y391-W407 AromaticContact CE2-CG 3.94Å; Y391-W407 HydrophobicContact CE2-CG 3.94Å; Y391-W407 HydrophobicContact CG-CB 3.92Å; Y391-W407 AromaticContact CG-CD1 3.84Å; Y391-W407 AromaticContact CG-CD2 3.53Å; Y391-W407 HydrophobicContact CG-CD2 3.53Å; Y391-W407 AromaticContact CG-CE2 3.97Å; Y391-W407 AromaticContact CG-CE3 3.97Å; Y391-W407 HydrophobicContact CG-CE3 3.97Å; Y391-W407 AromaticContact CG-CG 3.47Å; Y391-W407 HydrophobicContact CG-CG 3.47Å; Y391-W407 VanDerWaalsContact CG-CG 3.47Å; Y391-W407 AromaticContact CZ-CD1 3.96Å
392S91.1Very high86.4Confident47 Ų4771.6 Ų71.633%0.32939%0.388SS..EExtended strand (participates in β ladder)trans-70.7138169.855.20000109.8N348 W407N348-S392 WeakPolarHBondContact CA-OG 3.38Å; N348-S392 PolarHBondContact O-N 3.15Å; N348-S392 PolarHBondContact O-OG 3.24Å; S392-W407 VanDerWaalsContact O-CZ3 3.24Å; S392-W407 WeakPolarHBondContact O-CZ3 3.29Å
393W89.1Confident86.6Confident65 Ų6569.5 Ų69.525%0.24637%0.374CS..EExtended strand (participates in β ladder)trans-139.5140.3-177.1178.184.2000109.9C400 L402 W407 W410 L416W393-C400 HydrophobicContact CE3-CB 3.7Å; W393-C400 HydrophobicContact CZ3-CB 4.27Å; W393-C400 PolarHBondContact N-O 2.63Å; W393-C400 VanDerWaalsContact O-CB 3.25Å; W393-C400 WeakPolarHBondContact O-CB 3.37Å; W393-L402 HydrophobicContact CB-CD1 3.99Å; W393-L402 HydrophobicContact CB-CG 3.9Å; W393-L402 HydrophobicContact CD2-CD1 4.29Å; W393-L402 HydrophobicContact CG-CD1 3.68Å; W393-L402 HydrophobicContact CG-CG 4.01Å; W393-W407 HydrophobicContact CB-CZ3 4.48Å; W393-W410 AromaticContact CD1-CD2 3.82Å; W393-W410 AromaticContact CD1-CE2 3.67Å; W393-W410 AromaticContact CD1-CZ2 3.91Å; W393-W410 AromaticContact CD1-NE1 4Å; W393-W410 AromaticContact NE1-CD1 3.46Å; W393-W410 AromaticContact NE1-CD2 3.67Å; W393-W410 AromaticContact NE1-CE2 3.22Å; W393-W410 AromaticContact NE1-CG 3.79Å; W393-W410 AromaticContact NE1-CZ2 3.71Å; W393-W410 AromaticContact NE1-NE1 3.1Å; W393-W410 VanDerWaalsContact NE1-NE1 3.1Å; W393-L416 HydrophobicContact CH2-CD1 3.93Å; W393-L416 HydrophobicContact CH2-CD2 4.4Å; W393-L416 HydrophobicContact CH2-CG 4.37Å; W393-L416 HydrophobicContact CZ2-CD1 4.26Å; W393-L416 HydrophobicContact CZ2-CD2 3.95Å; W393-L416 HydrophobicContact CZ2-CG 4.2Å; W393-L416 HydrophobicContact CZ3-CD1 4.38Å
394G81.3Confident86.7Confident49 Ų4965 Ų6551%0.50536%0.358SS..SBendtrans77.6-170.7-18000000114.9
395P79.3Confident86.9Confident68 Ų6869.1 Ų69.144%0.44237%0.374SS..  trans-59.2140.2-178.2-26.937.3000112.9N397 M398P395-N397 WeakPolarHBondContact CB-OD1 3.36Å; P395-N397 PolarHBondContact O-N 3.33Å; P395-M398 HydrophobicContact CG-SD 4.49Å; P395-M398 PolarHBondContact O-N 3.28Å
396P72.5Confident87.2Confident125 Ų12564.9 Ų64.981%0.81235%0.348SS*.THydrogen-bonded Turntrans-56.9-28.4-176-25.533.4000114.4M398P396-M398 VanDerWaalsContact C-N 3.33Å; P396-M398 PolarHBondContact O-N 2.83Å
397N74Confident87.4Confident130 Ų13057.6 Ų57.670%0.69531%0.314SS*.THydrogen-bonded Turntrans-73.4-19.7179.961.4-51.5000113.9P395P395-N397 WeakPolarHBondContact CB-OD1 3.36Å; P395-N397 PolarHBondContact O-N 3.33Å
398M76.5Confident87.5Confident115 Ų11559.9 Ų59.957%0.56732%0.323SS*.THydrogen-bonded Turntrans-92.3-15.3-179.9-68.4-174167.300113.1P395 P396 C400P395-M398 HydrophobicContact CG-SD 4.49Å; P395-M398 PolarHBondContact O-N 3.28Å; P396-M398 VanDerWaalsContact C-N 3.33Å; P396-M398 PolarHBondContact O-N 2.83Å; M398-C400 PolarHBondContact O-N 2.78Å
399Q80Confident87.6Confident128 Ų12853.8 Ų53.860%0.59829%0.294SS*.  trans49.931.2178.4-58.2-177.6100114.2
400C87.4Confident87.7Confident18 Ų1853.7 Ų53.712%0.12229%0.292CS..EExtended strand (participates in β ladder)trans-69.4144.9179-63.10000110.5E380 W393 M398E380-C400 HydrophobicContact CG-CB 3.85Å; W393-C400 HydrophobicContact CE3-CB 3.7Å; W393-C400 HydrophobicContact CZ3-CB 4.27Å; W393-C400 PolarHBondContact N-O 2.63Å; W393-C400 VanDerWaalsContact O-CB 3.25Å; W393-C400 WeakPolarHBondContact O-CB 3.37Å; M398-C400 PolarHBondContact O-N 2.78Å
401R90.4Very high87.8Confident36 Ų3653 Ų5314%0.13629%0.29CS..EExtended strand (participates in β ladder)trans-136.3148-179.372-179.2-171.6177.65.8113.6I350 R377 E380 W390 Y391I350-R401 HydrophobicContact CD1-CB 4.18Å; R377-R401 PolarHBondContact O-NE 2.93Å; R377-R401 PolarHBondContact O-NH2 2.89Å; E380-R401 PolarHBondContact N-O 2.91Å; E380-R401 VanDerWaalsContact N-O 3.13Å; W390-R401 HydrophobicContact CE3-CB 4.27Å; W390-R401 HydrophobicContact CE3-CG 3.73Å; W390-R401 HydrophobicContact CZ3-CG 3.92Å; Y391-R401 CarbonylContact O-C 3.58Å; Y391-R401 VanDerWaalsContact O-CA 3.24Å; Y391-R401 WeakPolarHBondContact O-CA 3.45Å
402L92.9Very high87.9Confident0 Ų052.6 Ų52.60%029%0.289CS..EExtended strand (participates in β ladder)trans-117.2142.2175.4-61.8178.8000110.6E380 Y391 W393 C406 W407 W410 L416E380-L402 HydrophobicContact CB-CD2 4.07Å; Y391-L402 PolarHBondContact N-O 2.94Å; Y391-L402 PolarHBondContact O-N 3.39Å; W393-L402 HydrophobicContact CB-CD1 3.99Å; W393-L402 HydrophobicContact CB-CG 3.9Å; W393-L402 HydrophobicContact CD2-CD1 4.29Å; W393-L402 HydrophobicContact CG-CD1 3.68Å; W393-L402 HydrophobicContact CG-CG 4.01Å; L402-C406 HydrophobicContact CB-CB 4.28Å; L402-C406 HydrophobicContact CD2-CB 4.26Å; L402-W407 HydrophobicContact CB-CB 4.26Å; L402-W407 HydrophobicContact CD1-CE3 4.28Å; L402-W410 HydrophobicContact CD1-CB 4.08Å; L402-W410 HydrophobicContact CD1-CG 4.36Å; L402-L416 HydrophobicContact CD1-CD2 4.03Å; L402-L416 HydrophobicContact CD2-CD2 3.9Å
403C93.8Very high88Confident8 Ų850.8 Ų50.85%0.05428%0.275CS..EExtended strand (participates in β ladder)trans-67164.1165.373.10000109.7C379 C382 S387 W390 I405 C406 W407C379-C403 HydrophobicContact CB-CB 4.17Å; C379-C403 PolarHBondContact SG-N 3.2Å; C379-C403 VanDerWaalsContact SG-N 3.35Å; C382-C403 VanDerWaalsContact SG-SG 3.64Å; S387-C403 WeakPolarHBondContact OG-CA 3.48Å; S387-C403 WeakPolarHBondContact OG-CB 3.49Å; W390-C403 HydrophobicContact CZ3-CB 4.24Å; C403-I405 VanDerWaalsContact C-N 3.29Å; C403-I405 PolarHBondContact O-N 3.29Å; C403-C406 PolarHBondContact O-N 2.97Å; C403-C406 VanDerWaalsContact O-N 3.16Å; C403-C406 PolarHBondContact SG-N 2.82Å; C403-C406 PolarHBondContact SG-SG 3.19Å; C403-W407 WeakPolarHBondContact O-CB 3.42Å; C403-W407 PolarHBondContact O-N 3.45Å
404A92.6Very high88.1Confident11 Ų1148.3 Ų48.39%0.09127%0.27CS..Hα-helixtrans-57.5-40.1-17500000113.6S387 H388 Q389 Y391 W407 L408S387-A404 PolarHBondContact OG-N 3.11Å; S387-A404 VanDerWaalsContact OG-N 3.12Å; H388-A404 WeakPolarHBondContact CE1-CB 3.3Å; H388-A404 WeakPolarHBondContact NE2-CB 3.41Å; Q389-A404 HydrophobicContact CB-CB 4.34Å; Q389-A404 PolarHBondContact O-N 2.85Å; Y391-A404 HydrophobicContact CE2-CB 4.19Å; A404-W407 PolarHBondContact O-N 3.31Å; A404-L408 PolarHBondContact O-N 3.33Å
405I92.9Very high88.5Confident122 Ų12246.6 Ų46.663%0.62625%0.252SS*.Hα-helixtrans-66.1-45.9179.1-59172.5000110.6C403 W407 L408 Y409C403-I405 VanDerWaalsContact C-N 3.29Å; C403-I405 PolarHBondContact O-N 3.29Å; I405-W407 VanDerWaalsContact C-N 3.35Å; I405-L408 PolarHBondContact O-N 3.01Å; I405-Y409 WeakPolarHBondContact O-CB 3.32Å; I405-Y409 PolarHBondContact O-N 3.39Å
406C93.4Very high89Confident4 Ų444 Ų443%0.02723%0.234CC..Hα-helixtrans-71.9-30.8-179.8-680000112.4L402 C403 W410L402-C406 HydrophobicContact CB-CB 4.28Å; L402-C406 HydrophobicContact CD2-CB 4.26Å; C403-C406 PolarHBondContact O-N 2.97Å; C403-C406 VanDerWaalsContact O-N 3.16Å; C403-C406 PolarHBondContact SG-N 2.82Å; C403-C406 PolarHBondContact SG-SG 3.19Å; C406-W410 VanDerWaalsContact O-CB 3.31Å; C406-W410 WeakPolarHBondContact O-CB 3.49Å; C406-W410 PolarHBondContact O-N 3.43Å
407W92.9Very high89.7Confident15 Ų1541.9 Ų41.96%0.05721%0.212CC..Hα-helixtrans-62.3-48.2170.8176.5-99.4000111.2N346 N348 Y391 S392 W393 L402 C403 A404 I405 W410 K411N346-W407 PolarHBondContact ND2-NE1 3.06Å; N348-W407 HydrophobicContact CB-CH2 3.63Å; N348-W407 HydrophobicContact CB-CZ2 4.04Å; N348-W407 HydrophobicContact CB-CZ3 4.27Å; N348-W407 WeakPolarHBondContact ND2-CH2 3.34Å; Y391-W407 VanDerWaalsContact CB-CD2 3.48Å; Y391-W407 AromaticContact CD1-CD1 3.99Å; Y391-W407 AromaticContact CD1-CD2 3.93Å; Y391-W407 HydrophobicContact CD1-CD2 3.93Å; Y391-W407 AromaticContact CD1-CE2 3.85Å; Y391-W407 HydrophobicContact CD1-CG 4.03Å; Y391-W407 HydrophobicContact CD1-CZ2 4.41Å; Y391-W407 AromaticContact CD1-NE1 3.87Å; Y391-W407 HydrophobicContact CD2-CB 3.44Å; Y391-W407 VanDerWaalsContact CD2-CB 3.44Å; Y391-W407 AromaticContact CD2-CD1 3.76Å; Y391-W407 HydrophobicContact CD2-CD2 4.02Å; Y391-W407 AromaticContact CD2-CG 3.43Å; Y391-W407 HydrophobicContact CD2-CG 3.43Å; Y391-W407 VanDerWaalsContact CD2-CG 3.43Å; Y391-W407 HydrophobicContact CE1-CG 4.49Å; Y391-W407 HydrophobicContact CE2-CB 4.04Å; Y391-W407 AromaticContact CE2-CD1 3.81Å; Y391-W407 AromaticContact CE2-CG 3.94Å; Y391-W407 HydrophobicContact CE2-CG 3.94Å; Y391-W407 HydrophobicContact CG-CB 3.92Å; Y391-W407 AromaticContact CG-CD1 3.84Å; Y391-W407 AromaticContact CG-CD2 3.53Å; Y391-W407 HydrophobicContact CG-CD2 3.53Å; Y391-W407 AromaticContact CG-CE2 3.97Å; Y391-W407 AromaticContact CG-CE3 3.97Å; Y391-W407 HydrophobicContact CG-CE3 3.97Å; Y391-W407 AromaticContact CG-CG 3.47Å; Y391-W407 HydrophobicContact CG-CG 3.47Å; Y391-W407 VanDerWaalsContact CG-CG 3.47Å; Y391-W407 AromaticContact CZ-CD1 3.96Å; S392-W407 VanDerWaalsContact O-CZ3 3.24Å; S392-W407 WeakPolarHBondContact O-CZ3 3.29Å; W393-W407 HydrophobicContact CB-CZ3 4.48Å; L402-W407 HydrophobicContact CB-CB 4.26Å; L402-W407 HydrophobicContact CD1-CE3 4.28Å; C403-W407 WeakPolarHBondContact O-CB 3.42Å; C403-W407 PolarHBondContact O-N 3.45Å; A404-W407 PolarHBondContact O-N 3.31Å; I405-W407 VanDerWaalsContact C-N 3.35Å; W407-W410 HydrophobicContact CD2-CE3 4.44Å; W407-W410 HydrophobicContact CE3-CE3 4.07Å; W407-W410 HydrophobicContact CE3-CZ3 4.22Å; W407-W410 HydrophobicContact CH2-CE3 4.21Å; W407-W410 HydrophobicContact CH2-CH2 4.31Å; W407-W410 AromaticContact CH2-CZ3 3.54Å; W407-W410 HydrophobicContact CH2-CZ3 3.54Å; W407-W410 HydrophobicContact CZ2-CZ3 4.02Å; W407-W410 AromaticContact CZ3-CE3 3.96Å; W407-W410 HydrophobicContact CZ3-CE3 3.96Å; W407-W410 HydrophobicContact CZ3-CH2 4.43Å; W407-W410 AromaticContact CZ3-CZ3 3.66Å; W407-W410 HydrophobicContact CZ3-CZ3 3.66Å; W407-W410 PolarHBondContact O-N 3.41Å; W407-K411 HydrophobicContact CZ2-CD 4.12Å; W407-K411 HydrophobicContact CZ2-CG 4.35Å; W407-K411 WeakPolarHBondContact O-CG 3.41Å; W407-K411 PolarHBondContact O-N 3.45Å
408L92.1Very high90.1Very high82 Ų8238.7 Ų38.743%0.42919%0.194SC..Hα-helixtrans-63.9-42177.7-175.460.6000111.6A404 I405 K411 K412A404-L408 PolarHBondContact O-N 3.33Å; I405-L408 PolarHBondContact O-N 3.01Å; L408-K411 PolarHBondContact O-N 2.81Å; L408-K412 HydrophobicContact CD1-CD 4.33Å; L408-K412 HydrophobicContact CD1-CG 4.43Å; L408-K412 HydrophobicContact CG-CD 4.19Å; L408-K412 WeakPolarHBondContact O-CG 3.4Å; L408-K412 PolarHBondContact O-N 3Å
409Y93.3Very high90.1Very high25 Ų2535.7 Ų35.710%0.09818%0.183CC..Hα-helixtrans-57.2-50.7173.5-176.4-84.7000111I405 K411 K412 Y413 G415 K417I405-Y409 WeakPolarHBondContact O-CB 3.32Å; I405-Y409 PolarHBondContact O-N 3.39Å; Y409-K411 VanDerWaalsContact C-N 3.31Å; Y409-K411 PolarHBondContact O-N 3.49Å; Y409-K412 PolarHBondContact O-N 3.45Å; Y409-Y413 HydrophobicContact CD1-CD2 4.14Å; Y409-Y413 AromaticContact CD2-CD2 3.4Å; Y409-Y413 HydrophobicContact CD2-CD2 3.4Å; Y409-Y413 AromaticContact CD2-CE2 3.7Å; Y409-Y413 HydrophobicContact CD2-CE2 3.7Å; Y409-Y413 HydrophobicContact CD2-CG 4.44Å; Y409-Y413 HydrophobicContact CE1-CD2 4.15Å; Y409-Y413 HydrophobicContact CE1-CG 4.4Å; Y409-Y413 AromaticContact CE2-CD2 3.43Å; Y409-Y413 HydrophobicContact CE2-CD2 3.43Å; Y409-Y413 VanDerWaalsContact CE2-CD2 3.43Å; Y409-Y413 AromaticContact CE2-CE2 3.79Å; Y409-Y413 HydrophobicContact CE2-CE2 3.79Å; Y409-Y413 HydrophobicContact CE2-CG 4.13Å; Y409-Y413 AromaticContact CG-CD2 3.77Å; Y409-Y413 HydrophobicContact CG-CD2 3.77Å; Y409-Y413 HydrophobicContact CG-CE2 4.41Å; Y409-Y413 AromaticContact CZ-CD2 3.81Å; Y409-Y413 WeakPolarHBondContact O-CB 3.33Å; Y409-Y413 VanDerWaalsContact O-CD2 3.28Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.3Å; Y409-Y413 PolarHBondContact O-N 3.17Å; Y409-G415 WeakPolarHBondContact CD1-O 3.45Å; Y409-G415 WeakPolarHBondContact CE1-O 3.4Å; Y409-K417 HydrophobicContact CD1-CB 3.97Å; Y409-K417 HydrophobicContact CD2-CB 4.46Å; Y409-K417 HydrophobicContact CD2-CD 4.37Å; Y409-K417 HydrophobicContact CD2-CG 4.41Å; Y409-K417 HydrophobicContact CE1-CB 3.94Å; Y409-K417 HydrophobicContact CE2-CB 4.42Å; Y409-K417 HydrophobicContact CE2-CD 4.49Å; Y409-K417 HydrophobicContact CE2-CG 4.18Å; Y409-K417 HydrophobicContact CG-CB 4.25Å
410W93.2Very high89.4Confident25 Ų2532 Ų3210%0.09517%0.169CC..Hα-helixtrans-61.6-38177.5173.381.4000112.3S19 P21 W393 L402 C406 W407 G414S19-W410 WeakPolarHBondContact O-CH2 3.35Å; P21-W410 WeakPolarHBondContact CB-O 3.35Å; P21-W410 VanDerWaalsContact CD-CZ2 3.46Å; P21-W410 HydrophobicContact CG-CD2 3.85Å; P21-W410 VanDerWaalsContact CG-CE2 3.44Å; P21-W410 HydrophobicContact CG-CE3 4.21Å; P21-W410 HydrophobicContact CG-CG 4.5Å; P21-W410 HydrophobicContact CG-CH2 3.93Å; P21-W410 HydrophobicContact CG-CZ2 3.51Å; P21-W410 HydrophobicContact CG-CZ3 4.25Å; P21-W410 WeakPolarHBondContact CG-O 3.21Å; W393-W410 AromaticContact CD1-CD2 3.82Å; W393-W410 AromaticContact CD1-CE2 3.67Å; W393-W410 AromaticContact CD1-CZ2 3.91Å; W393-W410 AromaticContact CD1-NE1 4Å; W393-W410 AromaticContact NE1-CD1 3.46Å; W393-W410 AromaticContact NE1-CD2 3.67Å; W393-W410 AromaticContact NE1-CE2 3.22Å; W393-W410 AromaticContact NE1-CG 3.79Å; W393-W410 AromaticContact NE1-CZ2 3.71Å; W393-W410 AromaticContact NE1-NE1 3.1Å; W393-W410 VanDerWaalsContact NE1-NE1 3.1Å; L402-W410 HydrophobicContact CD1-CB 4.08Å; L402-W410 HydrophobicContact CD1-CG 4.36Å; C406-W410 VanDerWaalsContact O-CB 3.31Å; C406-W410 WeakPolarHBondContact O-CB 3.49Å; C406-W410 PolarHBondContact O-N 3.43Å; W407-W410 HydrophobicContact CD2-CE3 4.44Å; W407-W410 HydrophobicContact CE3-CE3 4.07Å; W407-W410 HydrophobicContact CE3-CZ3 4.22Å; W407-W410 HydrophobicContact CH2-CE3 4.21Å; W407-W410 HydrophobicContact CH2-CH2 4.31Å; W407-W410 AromaticContact CH2-CZ3 3.54Å; W407-W410 HydrophobicContact CH2-CZ3 3.54Å; W407-W410 HydrophobicContact CZ2-CZ3 4.02Å; W407-W410 AromaticContact CZ3-CE3 3.96Å; W407-W410 HydrophobicContact CZ3-CE3 3.96Å; W407-W410 HydrophobicContact CZ3-CH2 4.43Å; W407-W410 AromaticContact CZ3-CZ3 3.66Å; W407-W410 HydrophobicContact CZ3-CZ3 3.66Å; W407-W410 PolarHBondContact O-N 3.41Å; W410-G414 WeakPolarHBondContact O-CA 3.36Å; W410-G414 PolarHBondContact O-N 2.93Å
411K93.3Very high87.7Confident4 Ų438.2 Ų38.22%0.01720%0.197CC..Hα-helixtrans-62.5-42.4174.6-76.2-71.1-66.8-167.30112E15 S17 S18 N20 P21 Y22 W407 L408 Y409E15-K411 IonicContact OE1-NZ 2.69Å; E15-K411 PolarHBondContact OE1-NZ 3.41Å; S17-K411 PolarHBondContact O-NZ 3.38Å; S18-K411 PolarHBondContact O-NZ 3.17Å; N20-K411 WeakPolarHBondContact O-CE 3.39Å; N20-K411 PolarHBondContact O-NZ 3.03Å; P21-K411 CarbonylContact C-O 3.54Å; P21-K411 WeakPolarHBondContact CA-O 3.36Å; P21-K411 WeakPolarHBondContact CB-O 3.27Å; Y22-K411 HydrophobicContact CD2-CB 4.11Å; Y22-K411 WeakPolarHBondContact CD2-O 3.17Å; Y22-K411 HydrophobicContact CE2-CB 3.82Å; Y22-K411 VanDerWaalsContact CZ-CE 3.47Å; Y22-K411 PolarHBondContact N-O 3.01Å; W407-K411 HydrophobicContact CZ2-CD 4.12Å; W407-K411 HydrophobicContact CZ2-CG 4.35Å; W407-K411 WeakPolarHBondContact O-CG 3.41Å; W407-K411 PolarHBondContact O-N 3.45Å; L408-K411 PolarHBondContact O-N 2.81Å; Y409-K411 VanDerWaalsContact C-N 3.31Å; Y409-K411 PolarHBondContact O-N 3.49Å
412K93.9Very high85.3Confident27 Ų2741.1 Ų41.112%0.11722%0.222CC..Hα-helixtrans-78-41.8-178-72.3175.1165.5-158.70113.3Y13 Y22 R47 D128 L408 Y409Y13-K412 HydrophobicContact CE1-CB 4.38Å; Y13-K412 HydrophobicContact CE2-CD 4.27Å; Y13-K412 HydrophobicContact CE2-CG 3.93Å; Y22-K412 HydrophobicContact CD2-CG 4.35Å; R47-K412 PolarHBondContact NH2-O 3.32Å; D128-K412 WeakPolarHBondContact OD1-CD 3.33Å; D128-K412 WeakPolarHBondContact OD1-CE 3.44Å; D128-K412 IonicContact OD1-NZ 3.28Å; D128-K412 PolarHBondContact OD1-NZ 2.94Å; D128-K412 IonicContact OD2-NZ 2.68Å; D128-K412 PolarHBondContact OD2-NZ 3.39Å; L408-K412 HydrophobicContact CD1-CD 4.33Å; L408-K412 HydrophobicContact CD1-CG 4.43Å; L408-K412 HydrophobicContact CG-CD 4.19Å; L408-K412 WeakPolarHBondContact O-CG 3.4Å; L408-K412 PolarHBondContact O-N 3Å; Y409-K412 PolarHBondContact O-N 3.45Å
413Y92.9Very high82.8Confident9 Ų947 Ų474%0.03525%0.25CC..Hα-helixtrans-107.7-16.4-168.7-60.8-69.3000113.7R47 D128 F130 Y409 G415R47-Y413 PolarHBondContact NE-O 3.02Å; D128-Y413 PolarHBondContact N-OH 3.29Å; F130-Y413 AromaticContact CE1-CD1 3.56Å; F130-Y413 HydrophobicContact CE1-CD1 3.56Å; F130-Y413 AromaticContact CE1-CE1 3.83Å; F130-Y413 HydrophobicContact CE1-CE1 3.83Å; F130-Y413 HydrophobicContact CE2-CE1 4.34Å; F130-Y413 AromaticContact CZ-CD1 3.64Å; F130-Y413 HydrophobicContact CZ-CD1 3.64Å; F130-Y413 AromaticContact CZ-CE1 3.59Å; F130-Y413 HydrophobicContact CZ-CE1 3.59Å; Y409-Y413 HydrophobicContact CD1-CD2 4.14Å; Y409-Y413 AromaticContact CD2-CD2 3.4Å; Y409-Y413 HydrophobicContact CD2-CD2 3.4Å; Y409-Y413 AromaticContact CD2-CE2 3.7Å; Y409-Y413 HydrophobicContact CD2-CE2 3.7Å; Y409-Y413 HydrophobicContact CD2-CG 4.44Å; Y409-Y413 HydrophobicContact CE1-CD2 4.15Å; Y409-Y413 HydrophobicContact CE1-CG 4.4Å; Y409-Y413 AromaticContact CE2-CD2 3.43Å; Y409-Y413 HydrophobicContact CE2-CD2 3.43Å; Y409-Y413 VanDerWaalsContact CE2-CD2 3.43Å; Y409-Y413 AromaticContact CE2-CE2 3.79Å; Y409-Y413 HydrophobicContact CE2-CE2 3.79Å; Y409-Y413 HydrophobicContact CE2-CG 4.13Å; Y409-Y413 AromaticContact CG-CD2 3.77Å; Y409-Y413 HydrophobicContact CG-CD2 3.77Å; Y409-Y413 HydrophobicContact CG-CE2 4.41Å; Y409-Y413 AromaticContact CZ-CD2 3.81Å; Y409-Y413 WeakPolarHBondContact O-CB 3.33Å; Y409-Y413 VanDerWaalsContact O-CD2 3.28Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.3Å; Y409-Y413 PolarHBondContact O-N 3.17Å; Y413-G415 VanDerWaalsContact C-N 3.29Å; Y413-G415 PolarHBondContact O-N 3.45Å
414G90.9Very high80.2Confident14 Ų1453.8 Ų53.814%0.14428%0.28CS..SBendtrans80.32.8174.200000115.9R49 W410R49-G414 PolarHBondContact NH1-O 2.52Å; W410-G414 WeakPolarHBondContact O-CA 3.36Å; W410-G414 PolarHBondContact O-N 2.93Å
415G90.6Very high77.3Confident12 Ų1261.8 Ų61.812%0.12432%0.316CS..SBendtrans-138.8171.5177.800000112.3Y409 Y413Y409-G415 WeakPolarHBondContact CD1-O 3.45Å; Y409-G415 WeakPolarHBondContact CE1-O 3.4Å; Y413-G415 VanDerWaalsContact C-N 3.29Å; Y413-G415 PolarHBondContact O-N 3.45Å
416L90.5Very high74.6Confident14 Ų1465.3 Ų65.37%0.07333%0.327CS..  trans-81.9148.5175.1-57.4-175.3000110.4H84 W393 L402 M418 T420H84-L416 PolarHBondContact NE2-O 2.88Å; W393-L416 HydrophobicContact CH2-CD1 3.93Å; W393-L416 HydrophobicContact CH2-CD2 4.4Å; W393-L416 HydrophobicContact CH2-CG 4.37Å; W393-L416 HydrophobicContact CZ2-CD1 4.26Å; W393-L416 HydrophobicContact CZ2-CD2 3.95Å; W393-L416 HydrophobicContact CZ2-CG 4.2Å; W393-L416 HydrophobicContact CZ3-CD1 4.38Å; L402-L416 HydrophobicContact CD1-CD2 4.03Å; L402-L416 HydrophobicContact CD2-CD2 3.9Å; L416-M418 VanDerWaalsContact C-N 3.27Å; L416-M418 PolarHBondContact O-N 3.13Å; L416-T420 HydrophobicContact CD1-CG2 4.22Å
417K85.7Confident71.7Confident81 Ų8172.7 Ų72.735%0.35237%0.365SS..SBendtrans-67.7-27.1-175.1-171.1172.2-177.6174.30113.2Q85 S381 Y409Q85-K417 PolarHBondContact NE2-O 3.3Å; Q85-K417 VanDerWaalsContact NE2-O 3.09Å; S381-K417 WeakPolarHBondContact OG-CB 3.41Å; S381-K417 PolarHBondContact OG-N 3.35Å; Y409-K417 HydrophobicContact CD1-CB 3.97Å; Y409-K417 HydrophobicContact CD2-CB 4.46Å; Y409-K417 HydrophobicContact CD2-CD 4.37Å; Y409-K417 HydrophobicContact CD2-CG 4.41Å; Y409-K417 HydrophobicContact CE1-CB 3.94Å; Y409-K417 HydrophobicContact CE2-CB 4.42Å; Y409-K417 HydrophobicContact CE2-CD 4.49Å; Y409-K417 HydrophobicContact CE2-CG 4.18Å; Y409-K417 HydrophobicContact CG-CB 4.25Å
418M83.7Confident68.5Low63 Ų6376.7 Ų76.731%0.3140%0.396SS..SBendtrans-116.7150.4174.7-57.3-65.6-72.900109.1K81 S381 L416K81-M418 HydrophobicContact CD-CE 4.24Å; K81-M418 HydrophobicContact CD-SD 3.76Å; K81-M418 VanDerWaalsContact CE-SD 3.52Å; K81-M418 HydrophobicContact CG-SD 4.12Å; S381-M418 VanDerWaalsContact O-CB 3.22Å; S381-M418 WeakPolarHBondContact O-CB 3.49Å; S381-M418 WeakPolarHBondContact O-CG 3.38Å; L416-M418 VanDerWaalsContact C-N 3.27Å; L416-M418 PolarHBondContact O-N 3.13Å
419P75.4Confident65.7Low51 Ų5179 Ų7933%0.33142%0.415SS..  trans-62.4142.1171.6-17.930.9000111.1H84H84-P419 HydrophobicContact CB-CG 4.3Å
420T66.1Low62.5Low51 Ų5183.1 Ų83.131%0.31345%0.448SS..  trans-80135.3170.3150000109.7L416 S422 E423L416-T420 HydrophobicContact CD1-CG2 4.22Å; T420-S422 PolarHBondContact O-N 3.43Å; T420-E423 PolarHBondContact O-N 3.34Å
421Q50.4Low59.7Low149 Ų14987.8 Ų87.870%0.69648%0.482SS*.THydrogen-bonded Turntrans-52.1-15.8-176.6-68.41799.500115.2
422S40.8Very low56.7Low96 Ų9693.8 Ų93.867%0.67152%0.519SS*.THydrogen-bonded Turntrans-78.4-11.2176.560.20000115.3T420T420-S422 PolarHBondContact O-N 3.43Å
423E40.7Very low53.6Low125 Ų12599.5 Ų99.558%0.58456%0.556SS**SBendtrans-89.4-18.8179.2-71.4-160.2146.900114T420 E425T420-E423 PolarHBondContact O-N 3.34Å; E423-E425 VanDerWaalsContact C-N 3.3Å; E423-E425 PolarHBondContact O-N 3.29Å
424E38.4Very low50.5Low149 Ų149107.8 Ų107.870%0.69660%0.595SS**G310 helixtrans-69.4-23.3-179.1-83.3174.8152.100113.5K426E424-K426 PolarHBondContact O-N 2.96Å; E424-K426 VanDerWaalsContact O-N 3.15Å
425E32.5Very low47.6Very low180 Ų180114.3 Ų114.384%0.84163%0.627SS**G310 helixtrans-77.4-0.3-173.7-144.2174.4-168.900114.4E423E423-E425 VanDerWaalsContact C-N 3.3Å; E423-E425 PolarHBondContact O-N 3.29Å
426K36.3Very low45.2Very low195 Ų195118.3 Ų118.385%0.84865%0.65SS**G310 helixtrans-105.1-3.3-179.8-88.9-177.3178.4176.20115.7E424E424-K426 PolarHBondContact O-N 2.96Å; E424-K426 VanDerWaalsContact O-N 3.15Å
427L32.9Very low42.2Very low159 Ų159128.7 Ų128.783%0.83269%0.688SS**  trans-136.370.3-174.6-71.2163.5000111.1
428S24.5Very low39.5Very low100 Ų100131.4 Ų131.470%0.69971%0.712SS**  trans-138.3125.8156.245.40000109.8
429P32.9Very low36.9Very low129 Ų129139.4 Ų139.484%0.83874%0.738SS**  trans-88.2110.9168.431.8-24000108
430S27.7Very low34.4Very low112 Ų112140.7 Ų140.778%0.78375%0.749SS**PPolyproline II helixtrans-88.5138.417154.70000110.8
431P33.5Very low32.7Very low124 Ų124147 Ų14781%0.80577%0.774SS**PPolyproline II helixtrans-79.1151.4175.432.7-32000111.3
432T29.5Very low31.6Very low130 Ų130145.6 Ų145.680%0.79878%0.776SS**PPolyproline II helixtrans-61.7135.717845.60000113.9
433T29Very low30.8Very low147 Ų147147.3 Ų147.390%0.90279%0.787SS**  trans-167.4145.2134.615.20000112
434E27.9Very low30.3Very low183 Ų183151.9 Ų151.986%0.85580%0.799SS**  trans-61.2155.2-176.9-50.4-171.1142.400112.8
435D29.7Very low29.9Very low151 Ų151154.1 Ų154.181%0.80781%0.81SS**  -174.4179.759.3-142.56.4000109.4
436P41.5Very low29.5Very low95 Ų95150.3 Ų150.362%0.61781%0.809SS**  trans-121.1-176.3-143.423.35.7000114.1
437R27.6Very low29.2Very low232 Ų232149.6 Ų149.688%0.87581%0.811SS**  trans90.6112.3168.5-51.9170.4-179.81762.1114.3
438V29.3Very low29Very low139 Ų139151.2 Ų151.284%0.84282%0.815SS**  -164.3130.896.2170.30000109.6
439R27.4Very low29.1Very low230 Ų230150 Ų15087%0.86882%0.817SS**  trans-23.2157.8157.9-87.6174.9173.8165.6-2.8115.7
440S24.1Very low28.8Very low79 Ų79152.6 Ų152.655%0.55282%0.82SS**  cis176144.63.241.50000105.7
441H29.6Very low29Very low184 Ų184152.7 Ų152.785%0.85282%0.819SS**  173.6125.8116.7-96.6-75.2000111.5
442V27.1Very low28.9Very low119 Ų119153.2 Ų153.272%0.72182%0.819SS**  trans-76.2143.9175.91740000109.4R444V442-R444 HydrophobicContact CG1-CB 4.27Å
443S25Very low28.8Very low131 Ų131157.9 Ų157.992%0.91682%0.822SS**  trans-137.5118.6138.5-136.70000110
444R29.2Very low28.8Very low221 Ų221158.5 Ų158.583%0.83482%0.82SS**  trans-108160.4176.7-117.9-173.7-165.6-144.43.8107.3V442V442-R444 HydrophobicContact CG1-CB 4.27Å
445Q29.8Very low28.9Very low196 Ų196156.2 Ų156.292%0.91682%0.819SS**  trans100.7133.5172.9-58176.9-6.900112.3
446A25.5Very low28.8Very low101 Ų101152.7 Ų152.784%0.83582%0.818SS**  cis-150.2159.319.400000112.5
447M29.9Very low28.2Very low179 Ų179154 Ų15488%0.88283%0.83SS**  trans-84.2168.1172.1-90.4-87.1178.300112
448Q29.3Very low28.8Very low194 Ų194148.5 Ų148.591%0.90782%0.824SS**  trans88.6123.5170.5-51.9178.8-8.100113.9
449G25.8Very low29Very low73 Ų73151.5 Ų151.575%0.75383%0.825SS**  cis134.7110.2700000108.6
450M27.5Very low29.5Very low184 Ų184146.4 Ų146.491%0.90683%0.825SS**  trans-162.1137.2153.3-83.2-155.386.500110.8
451P31.3Very low29.9Very low115 Ų115147 Ų14775%0.74784%0.835SS**PPolyproline II helixtrans-91136.7179.934.6-30.6000112R453P451-R453 PolarHBondContact O-N 2.95Å
452V30.8Very low30.5Very low135 Ų135144.4 Ų144.482%0.81883%0.832SS**PPolyproline II helixtrans-75.1120.2173.5177.20000109.7
453R27.8Very low31.3Very low227 Ų227148.4 Ų148.486%0.85784%0.839SS**PPolyproline II helixtrans-71.4123166.8-82.6177.6169-178.6-3109.5P451P451-R453 PolarHBondContact O-N 2.95Å
454N29.4Very low32.2Very low161 Ų161148.1 Ų148.186%0.86183%0.832SS**  trans-112108.9154.6-92.218.4000109.2
455T29.6Very low33.8Very low135 Ų135149.6 Ų149.683%0.82884%0.838SS**  trans-95.4128.4167.145.70000109
456G27.7Very low35.8Very low77 Ų77148.7 Ų148.779%0.79483%0.834SS**  trans167.952.6173.400000119.9
457S28Very low38.4Very low123 Ų123149 Ų14986%0.8684%0.836SS**  trans69.5160.7148.1-112.70000121.9
458P40.8Very low41.2Very low116 Ų116148.5 Ų148.575%0.75383%0.829SS**  -117.5129-116.730.8-10.9000112.9
459K33.7Very low44Very low201 Ų201147.9 Ų147.987%0.87482%0.824SS**  trans-132.8132.5162.8-69.1-173.6178.4178.20108.8A461K459-A461 PolarHBondContact O-N 3.24Å
460S37.2Very low47Very low123 Ų123150.4 Ų150.486%0.8682%0.819SS**  trans-44.291.818035.30000112.6V462S460-V462 PolarHBondContact O-N 3Å; S460-V462 VanDerWaalsContact O-N 3.11Å
461A33.2Very low49.9Very low91 Ų91148.3 Ų148.375%0.75281%0.807SS**  trans-73.1102.3171.100000108.7K459 K463K459-A461 PolarHBondContact O-N 3.24Å; A461-K463 PolarHBondContact O-N 3.42Å; A461-K463 VanDerWaalsContact O-N 3.13Å
462V41Very low52.4Low131 Ų131144.6 Ų144.679%0.79478%0.783SS**  trans-51.9116.9156.6176.70000106S460 T464S460-V462 PolarHBondContact O-N 3Å; S460-V462 VanDerWaalsContact O-N 3.11Å; V462-T464 VanDerWaalsContact C-N 3.33Å; V462-T464 PolarHBondContact O-N 3.13Å
463K44.5Very low55.1Low202 Ų202141.8 Ų141.888%0.87877%0.766SS**  trans-5596.3-179.7-81.4177.5175.8174.80109.3A461 R465A461-K463 PolarHBondContact O-N 3.42Å; A461-K463 VanDerWaalsContact O-N 3.13Å; K463-R465 PolarHBondContact O-N 2.87Å
464T45Very low57.6Low126 Ų126138.8 Ų138.877%0.77376%0.756SS**  trans-56.8119.7166.336.20000107.4V462 Q466V462-T464 VanDerWaalsContact C-N 3.33Å; V462-T464 PolarHBondContact O-N 3.13Å; T464-Q466 PolarHBondContact O-N 3.4Å
465R61.6Low60.1Low251 Ų251136.6 Ų136.695%0.94774%0.739SS**  trans-51.1112.7172.1-75.9-179.2169-172.3-2.1108K463 A467K463-R465 PolarHBondContact O-N 2.87Å; R465-A467 PolarHBondContact O-N 3.14Å
466Q73.3Confident62.6Low177 Ų177133 Ų13383%0.82772%0.717SS**  trans-67.1123.3170.9-83.2178.5-14.400108.2T464T464-Q466 PolarHBondContact O-N 3.4Å
467A79.9Confident65.3Low107 Ų107134.8 Ų134.888%0.88470%0.702SS**  trans-70.3131.7168.300000108.6R465R465-A467 PolarHBondContact O-N 3.14Å
468F87.7Confident67.9Low169 Ų169131 Ų13174%0.74167%0.671SS**  trans-138149173.370.6-85.4000109.8L470F468-L470 HydrophobicContact CD2-CB 4.1Å; F468-L470 HydrophobicContact CE2-CB 3.91Å
469F87.4Confident70Confident181 Ų181126 Ų12679%0.79464%0.639SS**  trans-105.7127.6171.3174.8-105.2000108.6H471F469-H471 HydrophobicContact CE1-CB 3.65Å; F469-H471 HydrophobicContact CZ-CB 3.93Å
470L89.1Confident72.4Confident126 Ų126120.8 Ų120.866%0.6661%0.614SS**  trans-119.8106.6178.3-179.569.3000110.1F468 T472F468-L470 HydrophobicContact CD2-CB 4.1Å; F468-L470 HydrophobicContact CE2-CB 3.91Å; L470-T472 HydrophobicContact CD2-CG2 4.26Å; L470-T472 HydrophobicContact CG-CG2 4.21Å
471H88.3Confident74.6Confident141 Ų141118.2 Ų118.265%0.65359%0.588SS**  trans-105104.4167-173.7-90.8000109.5F469 T473F469-H471 HydrophobicContact CE1-CB 3.65Å; F469-H471 HydrophobicContact CZ-CB 3.93Å; H471-T473 PolarHBondContact O-N 2.71Å
472T85.4Confident76.9Confident37 Ų37114.3 Ų114.323%0.22756%0.555CS.*  trans-70.8127.1-177.560.40000111.1L470 K477L470-T472 HydrophobicContact CD2-CG2 4.26Å; L470-T472 HydrophobicContact CG-CG2 4.21Å; T472-K477 WeakPolarHBondContact OG1-CE 3.01Å
473T86Confident79Confident75 Ų75108 Ų10846%0.4652%0.517SS..  trans-67.5159.1176.966.40000111.7H471 F475 T476 K477H471-T473 PolarHBondContact O-N 2.71Å; T473-F475 VanDerWaalsContact C-N 3.27Å; T473-F475 PolarHBondContact O-N 3.13Å; T473-T476 PolarHBondContact O-N 3.01Å; T473-T476 PolarHBondContact OG1-N 3.44Å; T473-T476 PolarHBondContact OG1-OG1 3.01Å; T473-T476 VanDerWaalsContact OG1-OG1 3.04Å; T473-K477 PolarHBondContact O-N 3.22Å; T473-K477 VanDerWaalsContact O-N 3.07Å
474Y80.2Confident80.8Confident165 Ų165103 Ų10365%0.64750%0.495SS*.Hα-helixtrans-57-42.3175.3-178.5-99.6000111.8T476 K477 F478Y474-T476 PolarHBondContact O-N 3.36Å; Y474-K477 WeakPolarHBondContact O-CA 3.35Å; Y474-K477 WeakPolarHBondContact O-CB 3.47Å; Y474-K477 PolarHBondContact O-N 3.3Å; Y474-K477 VanDerWaalsContact O-N 3.08Å; Y474-F478 PolarHBondContact O-N 2.88Å
475F81.9Confident82.6Confident115 Ų115102.9 Ų102.950%0.50449%0.489SS..Hα-helixtrans-56.8-46.1175.2-174.2-87.6000112.5T473 K477 F478 A479 Y509T473-F475 VanDerWaalsContact C-N 3.27Å; T473-F475 PolarHBondContact O-N 3.13Å; F475-K477 VanDerWaalsContact C-N 3.31Å; F475-K477 PolarHBondContact O-N 3Å; F475-F478 PolarHBondContact O-N 3.21Å; F475-A479 WeakPolarHBondContact O-CB 3.23Å; F475-A479 PolarHBondContact O-N 2.96Å; F475-Y509 AromaticContact CD2-CE1 3.88Å; F475-Y509 HydrophobicContact CD2-CE1 3.88Å; F475-Y509 AromaticContact CD2-CZ 3.88Å; F475-Y509 WeakPolarHBondContact CD2-OH 3.48Å; F475-Y509 AromaticContact CE1-CD1 3.91Å; F475-Y509 HydrophobicContact CE1-CD1 3.91Å; F475-Y509 AromaticContact CE1-CE1 3.79Å; F475-Y509 HydrophobicContact CE1-CE1 3.79Å; F475-Y509 AromaticContact CE2-CD1 3.87Å; F475-Y509 HydrophobicContact CE2-CD1 3.87Å; F475-Y509 AromaticContact CE2-CE1 3.02Å; F475-Y509 HydrophobicContact CE2-CE1 3.02Å; F475-Y509 AromaticContact CE2-CZ 3.5Å; F475-Y509 WeakPolarHBondContact CE2-OH 3.47Å; F475-Y509 AromaticContact CZ-CD1 3.29Å; F475-Y509 HydrophobicContact CZ-CD1 3.29Å; F475-Y509 AromaticContact CZ-CE1 2.95Å; F475-Y509 HydrophobicContact CZ-CE1 2.95Å; F475-Y509 HydrophobicContact CZ-CG 4.3Å; F475-Y509 AromaticContact CZ-CZ 3.7Å
476T83.9Confident83.7Confident60 Ų6094 Ų9437%0.36846%0.463SS..Hα-helixtrans-65.8-33.5176.4-55.90000112.2T473 Y474 R480T473-T476 PolarHBondContact O-N 3.01Å; T473-T476 PolarHBondContact OG1-N 3.44Å; T473-T476 PolarHBondContact OG1-OG1 3.01Å; T473-T476 VanDerWaalsContact OG1-OG1 3.04Å; Y474-T476 PolarHBondContact O-N 3.36Å; T476-R480 WeakPolarHBondContact O-CG 3.49Å; T476-R480 PolarHBondContact O-N 2.97Å; T476-R480 PolarHBondContact O-NE 3.13Å
477K83.7Confident84.2Confident113 Ų11386.3 Ų86.349%0.49143%0.428SS..Hα-helixtrans-65.4-43.9172.8-67.1174.3-175.4179.50111T472 T473 Y474 F475T472-K477 WeakPolarHBondContact OG1-CE 3.01Å; T473-K477 PolarHBondContact O-N 3.22Å; T473-K477 VanDerWaalsContact O-N 3.07Å; Y474-K477 WeakPolarHBondContact O-CA 3.35Å; Y474-K477 WeakPolarHBondContact O-CB 3.47Å; Y474-K477 PolarHBondContact O-N 3.3Å; Y474-K477 VanDerWaalsContact O-N 3.08Å; F475-K477 VanDerWaalsContact C-N 3.31Å; F475-K477 PolarHBondContact O-N 3Å
478F82.4Confident84.5Confident44 Ų4488.8 Ų88.819%0.19341%0.414CS..Hα-helixtrans-68.4-41.3179.4-160.2-107.7000112.4Y474 F475 R480 Q481 V482 Y509 L516Y474-F478 PolarHBondContact O-N 2.88Å; F475-F478 PolarHBondContact O-N 3.21Å; F478-R480 VanDerWaalsContact C-N 3.26Å; F478-R480 PolarHBondContact O-N 2.99Å; F478-Q481 WeakPolarHBondContact O-CA 3.45Å; F478-Q481 WeakPolarHBondContact O-CB 3.08Å; F478-Q481 PolarHBondContact O-N 2.68Å; F478-V482 HydrophobicContact CD1-CG2 3.74Å; F478-V482 HydrophobicContact CE1-CG2 3.54Å; F478-V482 HydrophobicContact CZ-CG2 4.22Å; F478-V482 PolarHBondContact O-N 2.64Å; F478-Y509 AromaticContact CD1-CE2 3.87Å; F478-Y509 HydrophobicContact CD1-CE2 3.87Å; F478-L516 HydrophobicContact CE1-CB 4.39Å; F478-L516 HydrophobicContact CZ-CB 4.17Å; F478-L516 WeakPolarHBondContact CZ-O 3.46Å
479A83.9Confident84.2Confident10 Ų1084.4 Ų84.48%0.08340%0.398CS..Hα-helixtrans-58.6-35.1177.800000113.5F475 Q481 V482 C483 Y509F475-A479 WeakPolarHBondContact O-CB 3.23Å; F475-A479 PolarHBondContact O-N 2.96Å; A479-Q481 PolarHBondContact O-N 3.28Å; A479-V482 PolarHBondContact O-N 2.77Å; A479-C483 WeakPolarHBondContact O-CB 3.25Å; A479-C483 PolarHBondContact O-N 3.24Å; A479-C483 PolarHBondContact O-SG 3.27Å; A479-Y509 VanDerWaalsContact CA-CD2 3.44Å; A479-Y509 HydrophobicContact CB-CD2 3.47Å; A479-Y509 VanDerWaalsContact CB-CD2 3.47Å; A479-Y509 HydrophobicContact CB-CE2 3.75Å; A479-Y509 HydrophobicContact CB-CG 4.1Å
480R85.9Confident84Confident92 Ų9285.8 Ų85.835%0.34740%0.398SS..Hα-helixtrans-65.4-25.8174.5-68.3-176.3-80.9-134.4-0.5113.3T476 F478 L487T476-R480 WeakPolarHBondContact O-CG 3.49Å; T476-R480 PolarHBondContact O-N 2.97Å; T476-R480 PolarHBondContact O-NE 3.13Å; F478-R480 VanDerWaalsContact C-N 3.26Å; F478-R480 PolarHBondContact O-N 2.99Å; R480-L487 HydrophobicContact CB-CD2 3.79Å; R480-L487 HydrophobicContact CG-CD2 3.57Å
481Q81.6Confident83.9Confident69 Ų6984 Ų8432%0.32239%0.386SS..Hα-helixtrans-86-36.7178.9-173.271.3-4.300112.2F478 A479 K484F478-Q481 WeakPolarHBondContact O-CA 3.45Å; F478-Q481 WeakPolarHBondContact O-CB 3.08Å; F478-Q481 PolarHBondContact O-N 2.68Å; A479-Q481 PolarHBondContact O-N 3.28Å; Q481-K484 VanDerWaalsContact CD-NZ 3.3Å; Q481-K484 WeakPolarHBondContact O-CD 3.48Å; Q481-K484 VanDerWaalsContact O-CE 3.3Å; Q481-K484 WeakPolarHBondContact O-CE 3.48Å; Q481-K484 VanDerWaalsContact O-CG 3.29Å; Q481-K484 WeakPolarHBondContact O-CG 3.28Å
482V82.8Confident83.8Confident9 Ų978.5 Ų78.56%0.05537%0.365CS..Hα-helixtrans-71.8-51.1176.9176.30000110.2F478 A479 K484 Y509 R512 L516F478-V482 HydrophobicContact CD1-CG2 3.74Å; F478-V482 HydrophobicContact CE1-CG2 3.54Å; F478-V482 HydrophobicContact CZ-CG2 4.22Å; F478-V482 PolarHBondContact O-N 2.64Å; A479-V482 PolarHBondContact O-N 2.77Å; V482-K484 VanDerWaalsContact C-N 3.26Å; V482-K484 PolarHBondContact O-N 3.2Å; V482-K484 VanDerWaalsContact O-N 3.11Å; V482-Y509 HydrophobicContact CB-CD2 4.19Å; V482-Y509 HydrophobicContact CB-CE2 4.48Å; V482-Y509 HydrophobicContact CG1-CD2 4.41Å; V482-Y509 HydrophobicContact CG2-CD2 4.36Å; V482-Y509 HydrophobicContact CG2-CE2 4.16Å; V482-R512 HydrophobicContact CG1-CB 3.9Å; V482-L516 HydrophobicContact CB-CD1 4.22Å; V482-L516 HydrophobicContact CG1-CD1 3.92Å; V482-L516 HydrophobicContact CG2-CD1 3.82Å
483C85.4Confident83.9Confident0 Ų080.8 Ų80.80%039%0.388CS..THydrogen-bonded Turntrans-88.737.2-174.3-50.80000113.2A479 N485 T486 L487 I505 E508A479-C483 WeakPolarHBondContact O-CB 3.25Å; A479-C483 PolarHBondContact O-N 3.24Å; A479-C483 PolarHBondContact O-SG 3.27Å; C483-N485 VanDerWaalsContact C-N 3.28Å; C483-N485 PolarHBondContact O-N 2.96Å; C483-T486 PolarHBondContact O-N 2.94Å; C483-L487 VanDerWaalsContact O-CB 3.28Å; C483-L487 WeakPolarHBondContact O-CB 3.45Å; C483-L487 PolarHBondContact O-N 3.09Å; C483-I505 HydrophobicContact CB-CG2 4.06Å; C483-I505 PolarHBondContact SG-O 3.37Å; C483-E508 WeakPolarHBondContact CB-OE2 3.33Å
484K81.6Confident84.1Confident97 Ų9787 Ų8742%0.42240%0.403SS..Hα-helixtrans-56.6-39.1-174.8-84.5171.7-172174.80113.6Q481 V482 R488Q481-K484 VanDerWaalsContact CD-NZ 3.3Å; Q481-K484 WeakPolarHBondContact O-CD 3.48Å; Q481-K484 VanDerWaalsContact O-CE 3.3Å; Q481-K484 WeakPolarHBondContact O-CE 3.48Å; Q481-K484 VanDerWaalsContact O-CG 3.29Å; Q481-K484 WeakPolarHBondContact O-CG 3.28Å; V482-K484 VanDerWaalsContact C-N 3.26Å; V482-K484 PolarHBondContact O-N 3.2Å; V482-K484 VanDerWaalsContact O-N 3.11Å; K484-R488 WeakPolarHBondContact O-CA 3.38Å; K484-R488 PolarHBondContact O-N 2.87Å
485N81.7Confident84.5Confident122 Ų12286.1 Ų86.165%0.65240%0.398SS*.Hα-helixtrans-74.6-34.2-174.9-67.1-15.5000112C483 R488C483-N485 VanDerWaalsContact C-N 3.28Å; C483-N485 PolarHBondContact O-N 2.96Å; N485-R488 WeakPolarHBondContact O-CG 3.36Å; N485-R488 PolarHBondContact O-NE 2.69Å
486T84.7Confident84.8Confident64 Ų6485.4 Ų85.439%0.39341%0.406SS..Hα-helixtrans-81.6-40.6177.6-57.20000111.9C483 A504 I505 E508C483-T486 PolarHBondContact O-N 2.94Å; T486-A504 HydrophobicContact CG2-CB 3.98Å; T486-I505 HydrophobicContact CG2-CG1 4.18Å; T486-E508 WeakPolarHBondContact CB-OE2 3.48Å; T486-E508 PolarHBondContact OG1-OE2 3.49Å
487L84.9Confident85Confident17 Ų1792.2 Ų92.29%0.08943%0.43CS..Hα-helixtrans-74-31.1178.217860000113R480 C483 L489 I500 I505R480-L487 HydrophobicContact CB-CD2 3.79Å; R480-L487 HydrophobicContact CG-CD2 3.57Å; C483-L487 VanDerWaalsContact O-CB 3.28Å; C483-L487 WeakPolarHBondContact O-CB 3.45Å; C483-L487 PolarHBondContact O-N 3.09Å; L487-L489 HydrophobicContact CD2-CD1 4.34Å; L487-L489 HydrophobicContact CD2-CD2 3.51Å; L487-L489 HydrophobicContact CD2-CG 3.67Å; L487-L489 HydrophobicContact CG-CD2 4.05Å; L487-L489 HydrophobicContact CG-CG 3.98Å; L487-L489 PolarHBondContact O-N 3.44Å; L487-I500 HydrophobicContact CD1-CD1 3.97Å; L487-I500 HydrophobicContact CD1-CG2 3.64Å; L487-I505 HydrophobicContact CB-CD1 4.12Å; L487-I505 HydrophobicContact CD1-CD1 3.71Å; L487-I505 HydrophobicContact CG-CD1 4.42Å
488R85.9Confident85.2Confident158 Ų15891.1 Ų91.160%0.59643%0.433SS*.  trans4658.3-178.1-58.3-173.8176.2-175.2-1.5112.4K484 N485 R490 Q491 A492K484-R488 WeakPolarHBondContact O-CA 3.38Å; K484-R488 PolarHBondContact O-N 2.87Å; N485-R488 WeakPolarHBondContact O-CG 3.36Å; N485-R488 PolarHBondContact O-NE 2.69Å; R488-R490 VanDerWaalsContact C-N 3.25Å; R488-R490 PolarHBondContact O-N 3.48Å; R488-Q491 HydrophobicContact CB-CB 4.14Å; R488-Q491 WeakPolarHBondContact O-CA 3.38Å; R488-Q491 WeakPolarHBondContact O-CB 3.37Å; R488-Q491 PolarHBondContact O-N 3.38Å; R488-A492 PolarHBondContact O-N 2.89Å; R488-A492 VanDerWaalsContact O-N 3.07Å
489L82.4Confident85.5Confident77 Ų7793.6 Ų93.640%0.40346%0.462SS..Hα-helixtrans-44.7-42.1-171.7-81.1161.3000115L487 Q491 A492 A493L487-L489 HydrophobicContact CD2-CD1 4.34Å; L487-L489 HydrophobicContact CD2-CD2 3.51Å; L487-L489 HydrophobicContact CD2-CG 3.67Å; L487-L489 HydrophobicContact CG-CD2 4.05Å; L487-L489 HydrophobicContact CG-CG 3.98Å; L487-L489 PolarHBondContact O-N 3.44Å; L489-Q491 VanDerWaalsContact C-N 3.32Å; L489-Q491 PolarHBondContact O-N 3.3Å; L489-A492 PolarHBondContact O-N 3.04Å; L489-A493 VanDerWaalsContact O-CB 3.28Å; L489-A493 WeakPolarHBondContact O-CB 3.45Å; L489-A493 PolarHBondContact O-N 3.08Å
490R82.1Confident85.8Confident210 Ų21097.6 Ų97.679%0.79248%0.481SS*.Hα-helixtrans-63.2-37178.3-73.6-174.8-179.4176.51.2113R488 R494R488-R490 VanDerWaalsContact C-N 3.25Å; R488-R490 PolarHBondContact O-N 3.48Å; R490-R494 WeakPolarHBondContact O-CG 3.45Å
491Q86.9Confident85.9Confident88 Ų8898.2 Ų98.241%0.41149%0.491SS..Hα-helixtrans-75.6-45.6178.4-172.8177.914.200110.6R488 L489 A493 R494 R495R488-Q491 HydrophobicContact CB-CB 4.14Å; R488-Q491 WeakPolarHBondContact O-CA 3.38Å; R488-Q491 WeakPolarHBondContact O-CB 3.37Å; R488-Q491 PolarHBondContact O-N 3.38Å; L489-Q491 VanDerWaalsContact C-N 3.32Å; L489-Q491 PolarHBondContact O-N 3.3Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; Q491-A493 PolarHBondContact O-N 3.02Å; Q491-R494 PolarHBondContact O-N 3.21Å; Q491-R495 PolarHBondContact O-N 2.7Å
492A87.1Confident86.1Confident26 Ų26101.6 Ų101.622%0.21550%0.502CS..Hα-helixtrans-61-40.3178.400000112.3R488 L489 R494 R495 I500R488-A492 PolarHBondContact O-N 2.89Å; R488-A492 VanDerWaalsContact O-N 3.07Å; L489-A492 PolarHBondContact O-N 3.04Å; A492-R494 PolarHBondContact O-N 3.45Å; A492-R495 CarbonylContact O-C 3.57Å; A492-R495 PolarHBondContact O-N 3.33Å; A492-R495 VanDerWaalsContact O-N 3.08Å; A492-I500 HydrophobicContact CB-CD1 4.19Å
493A86.3Confident86.3Confident85 Ų85104.5 Ų104.570%0.70253%0.526SS*.Hα-helixtrans-62.7-27.1177.900000113.7L489 Q491L489-A493 VanDerWaalsContact O-CB 3.28Å; L489-A493 WeakPolarHBondContact O-CB 3.45Å; L489-A493 PolarHBondContact O-N 3.08Å; Q491-A493 VanDerWaalsContact C-N 3.34Å; Q491-A493 PolarHBondContact O-N 3.02Å
494R90.8Very high86.4Confident207 Ų207106.1 Ų106.178%0.78154%0.54SS*.THydrogen-bonded Turntrans-95-2.1177.8-59.9178.9-164.4-176.91.8112.9R490 Q491 A492R490-R494 WeakPolarHBondContact O-CG 3.45Å; Q491-R494 PolarHBondContact O-N 3.21Å; A492-R494 PolarHBondContact O-N 3.45Å
495R89Confident86.6Confident145 Ų145102.4 Ų102.455%0.54752%0.524SS..  trans-133.666-176.9-66.9-169.9173.1-167.9-2.8110.9Q491 A492 F497 V498Q491-R495 PolarHBondContact O-N 2.7Å; A492-R495 CarbonylContact O-C 3.57Å; A492-R495 PolarHBondContact O-N 3.33Å; A492-R495 VanDerWaalsContact O-N 3.08Å; R495-F497 PolarHBondContact O-N 3.42Å; R495-F497 VanDerWaalsContact O-N 3.16Å; R495-V498 HydrophobicContact CB-CB 4.17Å; R495-V498 HydrophobicContact CB-CG2 3.89Å; R495-V498 PolarHBondContact O-N 3.36Å; R495-V498 VanDerWaalsContact O-N 3.17Å
496P86.9Confident86.9Confident101 Ų101103.9 Ų103.966%0.65652%0.521SS*.THydrogen-bonded Turntrans-66-20.2-171.627.3-35.9000114.3
497F89.1Confident86.9Confident202 Ų202104 Ų10489%0.88653%0.528SS*.THydrogen-bonded Turntrans-96-1.9-179.3-52.2-61.9000113.6R495R495-F497 PolarHBondContact O-N 3.42Å; R495-F497 VanDerWaalsContact O-N 3.16Å
498V88.9Confident87Confident90 Ų90104.7 Ų104.755%0.54553%0.531SS..SBendtrans-88.8122175.9177.80000108.7R495 I500R495-V498 HydrophobicContact CB-CB 4.17Å; R495-V498 HydrophobicContact CB-CG2 3.89Å; R495-V498 PolarHBondContact O-N 3.36Å; R495-V498 VanDerWaalsContact O-N 3.17Å; V498-I500 PolarHBondContact O-N 2.93Å
499A87.4Confident86.9Confident96 Ų9698.1 Ų98.179%0.79351%0.506SS*.PPolyproline II helixtrans-61.3130.7178.300000110.8
500I90.1Very high87Confident94 Ų9497.5 Ų97.548%0.48251%0.512SS..PPolyproline II helixtrans-84.7133.4175.7-61.3172.7000108.1L487 A492 V498 Y502 I505L487-I500 HydrophobicContact CD1-CD1 3.97Å; L487-I500 HydrophobicContact CD1-CG2 3.64Å; A492-I500 HydrophobicContact CB-CD1 4.19Å; V498-I500 PolarHBondContact O-N 2.93Å; I500-Y502 VanDerWaalsContact C-N 3.28Å; I500-Y502 PolarHBondContact O-N 3.09Å; I500-I505 HydrophobicContact CG2-CD1 3.46Å; I500-I505 VanDerWaalsContact CG2-CD1 3.46Å
501N87.6Confident86.9Confident106 Ų10693.9 Ų93.957%0.56751%0.508SS*.  trans-72.883.7177.2-170.2-18000110.9A503 A504 I505N501-A503 VanDerWaalsContact C-N 3.29Å; N501-A503 PolarHBondContact O-N 3.19Å; N501-A503 PolarHBondContact OD1-N 3.2Å; N501-A504 HydrophobicContact CB-CB 4.25Å; N501-A504 PolarHBondContact O-N 3.33Å; N501-A504 PolarHBondContact OD1-N 3.18Å; N501-A504 VanDerWaalsContact OD1-N 3.12Å; N501-I505 WeakPolarHBondContact O-CG1 3.18Å; N501-I505 PolarHBondContact O-N 2.94Å
502Y86.8Confident86.4Confident140 Ų14093.6 Ų93.655%0.54950%0.504SS..Hα-helixtrans-63.9-31.6-178.9170-103.3000113.2I500 I505 R506I500-Y502 VanDerWaalsContact C-N 3.28Å; I500-Y502 PolarHBondContact O-N 3.09Å; Y502-I505 PolarHBondContact O-N 3.25Å; Y502-R506 VanDerWaalsContact CE1-CZ 3.5Å; Y502-R506 WeakPolarHBondContact O-CB 3.41Å; Y502-R506 PolarHBondContact O-N 3.37Å; Y502-R506 VanDerWaalsContact OH-CZ 3.25Å; Y502-R506 PolarHBondContact OH-NE 3.4Å; Y502-R506 PolarHBondContact OH-NH2 3.09Å
503A87Confident85.6Confident69 Ų6996.4 Ų96.457%0.5751%0.512SS*.Hα-helixtrans-64.7-44.6178.200000111.6N501 I505 R506 A507N501-A503 VanDerWaalsContact C-N 3.29Å; N501-A503 PolarHBondContact O-N 3.19Å; N501-A503 PolarHBondContact OD1-N 3.2Å; A503-I505 PolarHBondContact O-N 3.12Å; A503-R506 PolarHBondContact O-N 3.32Å; A503-A507 PolarHBondContact O-N 2.79Å
504A87.2Confident84.7Confident34 Ų3495.3 Ų95.328%0.28150%0.503SS..Hα-helixtrans-62.7-41.117600000112.2T486 N501 A507 E508T486-A504 HydrophobicContact CG2-CB 3.98Å; N501-A504 HydrophobicContact CB-CB 4.25Å; N501-A504 PolarHBondContact O-N 3.33Å; N501-A504 PolarHBondContact OD1-N 3.18Å; N501-A504 VanDerWaalsContact OD1-N 3.12Å; A504-A507 PolarHBondContact O-N 2.96Å; A504-E508 WeakPolarHBondContact O-CB 3.5Å; A504-E508 PolarHBondContact O-N 2.89Å
505I87Confident83.3Confident19 Ų1992.6 Ų92.610%0.09750%0.499CS..Hα-helixtrans-64.1-41.9176.7-65.5168.4000110.9C483 T486 L487 I500 N501 Y502 A503 Y509C483-I505 HydrophobicContact CB-CG2 4.06Å; C483-I505 PolarHBondContact SG-O 3.37Å; T486-I505 HydrophobicContact CG2-CG1 4.18Å; L487-I505 HydrophobicContact CB-CD1 4.12Å; L487-I505 HydrophobicContact CD1-CD1 3.71Å; L487-I505 HydrophobicContact CG-CD1 4.42Å; I500-I505 HydrophobicContact CG2-CD1 3.46Å; I500-I505 VanDerWaalsContact CG2-CD1 3.46Å; N501-I505 WeakPolarHBondContact O-CG1 3.18Å; N501-I505 PolarHBondContact O-N 2.94Å; Y502-I505 PolarHBondContact O-N 3.25Å; A503-I505 PolarHBondContact O-N 3.12Å; I505-Y509 WeakPolarHBondContact O-CB 3.35Å; I505-Y509 PolarHBondContact O-N 2.96Å
506R86.4Confident82Confident153 Ų15388.7 Ų88.758%0.57749%0.489SS*.Hα-helixtrans-65.2-41178.7-169-167.5-77.8-171-9.2111.4Y502 A503 A510Y502-R506 VanDerWaalsContact CE1-CZ 3.5Å; Y502-R506 WeakPolarHBondContact O-CB 3.41Å; Y502-R506 PolarHBondContact O-N 3.37Å; Y502-R506 VanDerWaalsContact OH-CZ 3.25Å; Y502-R506 PolarHBondContact OH-NE 3.4Å; Y502-R506 PolarHBondContact OH-NH2 3.09Å; A503-R506 PolarHBondContact O-N 3.32Å; R506-A510 WeakPolarHBondContact O-CB 3.48Å; R506-A510 PolarHBondContact O-N 2.92Å
507A85.9Confident80.5Confident66 Ų6688.7 Ų88.755%0.54549%0.491SS..Hα-helixtrans-66.5-49.6177.800000112.2A503 A504 Y509 A510 D511A503-A507 PolarHBondContact O-N 2.79Å; A504-A507 PolarHBondContact O-N 2.96Å; A507-Y509 VanDerWaalsContact C-N 3.28Å; A507-Y509 PolarHBondContact O-N 2.94Å; A507-A510 PolarHBondContact O-N 2.88Å; A507-D511 PolarHBondContact O-N 2.84Å
508E85.4Confident78.8Confident32 Ų3281.9 Ų81.915%0.1548%0.478CS..Hα-helixtrans-62-38.1176.9-175.8-172.8178.200111.5C483 T486 A504 D511 R512C483-E508 WeakPolarHBondContact CB-OE2 3.33Å; T486-E508 WeakPolarHBondContact CB-OE2 3.48Å; T486-E508 PolarHBondContact OG1-OE2 3.49Å; A504-E508 WeakPolarHBondContact O-CB 3.5Å; A504-E508 PolarHBondContact O-N 2.89Å; E508-D511 PolarHBondContact O-N 3.31Å; E508-R512 HydrophobicContact CG-CG 4.3Å; E508-R512 WeakPolarHBondContact O-CB 3.49Å; E508-R512 WeakPolarHBondContact O-CG 3.38Å; E508-R512 PolarHBondContact O-N 3.26Å; E508-R512 IonicContact OE1-NH1 2.7Å; E508-R512 PolarHBondContact OE1-NH1 2.93Å; E508-R512 VanDerWaalsContact OE1-NH1 3.13Å
509Y84.9Confident76.9Confident21 Ų2182.4 Ų82.48%0.08249%0.486CS..Hα-helixtrans-63.9-45.5176.1-175-87.2000111.8F475 F478 A479 V482 I505 A507 D511 R512 H513F475-Y509 AromaticContact CD2-CE1 3.88Å; F475-Y509 HydrophobicContact CD2-CE1 3.88Å; F475-Y509 AromaticContact CD2-CZ 3.88Å; F475-Y509 WeakPolarHBondContact CD2-OH 3.48Å; F475-Y509 AromaticContact CE1-CD1 3.91Å; F475-Y509 HydrophobicContact CE1-CD1 3.91Å; F475-Y509 AromaticContact CE1-CE1 3.79Å; F475-Y509 HydrophobicContact CE1-CE1 3.79Å; F475-Y509 AromaticContact CE2-CD1 3.87Å; F475-Y509 HydrophobicContact CE2-CD1 3.87Å; F475-Y509 AromaticContact CE2-CE1 3.02Å; F475-Y509 HydrophobicContact CE2-CE1 3.02Å; F475-Y509 AromaticContact CE2-CZ 3.5Å; F475-Y509 WeakPolarHBondContact CE2-OH 3.47Å; F475-Y509 AromaticContact CZ-CD1 3.29Å; F475-Y509 HydrophobicContact CZ-CD1 3.29Å; F475-Y509 AromaticContact CZ-CE1 2.95Å; F475-Y509 HydrophobicContact CZ-CE1 2.95Å; F475-Y509 HydrophobicContact CZ-CG 4.3Å; F475-Y509 AromaticContact CZ-CZ 3.7Å; F478-Y509 AromaticContact CD1-CE2 3.87Å; F478-Y509 HydrophobicContact CD1-CE2 3.87Å; A479-Y509 VanDerWaalsContact CA-CD2 3.44Å; A479-Y509 HydrophobicContact CB-CD2 3.47Å; A479-Y509 VanDerWaalsContact CB-CD2 3.47Å; A479-Y509 HydrophobicContact CB-CE2 3.75Å; A479-Y509 HydrophobicContact CB-CG 4.1Å; V482-Y509 HydrophobicContact CB-CD2 4.19Å; V482-Y509 HydrophobicContact CB-CE2 4.48Å; V482-Y509 HydrophobicContact CG1-CD2 4.41Å; V482-Y509 HydrophobicContact CG2-CD2 4.36Å; V482-Y509 HydrophobicContact CG2-CE2 4.16Å; I505-Y509 WeakPolarHBondContact O-CB 3.35Å; I505-Y509 PolarHBondContact O-N 2.96Å; A507-Y509 VanDerWaalsContact C-N 3.28Å; A507-Y509 PolarHBondContact O-N 2.94Å; Y509-D511 PolarHBondContact O-N 3.43Å; Y509-R512 PolarHBondContact O-N 3.26Å; Y509-H513 HydrophobicContact CD1-CB 3.95Å; Y509-H513 HydrophobicContact CD2-CB 4.44Å; Y509-H513 HydrophobicContact CE1-CB 3.45Å; Y509-H513 VanDerWaalsContact CE1-CB 3.45Å; Y509-H513 AromaticContact CE1-CG 3.95Å; Y509-H513 HydrophobicContact CE2-CB 4.12Å; Y509-H513 HydrophobicContact CG-CB 4.42Å; Y509-H513 WeakPolarHBondContact O-CB 3.18Å; Y509-H513 PolarHBondContact O-N 3.46Å; Y509-H513 PolarHBondContact O-ND1 3.18Å
510A83.5Confident75Confident63 Ų6381.9 Ų81.952%0.52148%0.475SS..Hα-helixtrans-57.8-37.8178.800000111.7R506 A507 H513R506-A510 WeakPolarHBondContact O-CB 3.48Å; R506-A510 PolarHBondContact O-N 2.92Å; A507-A510 PolarHBondContact O-N 2.88Å; A510-H513 PolarHBondContact O-CE1 3.08Å; A510-H513 VanDerWaalsContact O-CE1 3.28Å; A510-H513 PolarHBondContact O-ND1 3.49Å
511D81.7Confident73.2Confident134 Ų13483.7 Ų83.772%0.71748%0.484SS*.Hα-helixtrans-74.4-40.9179.5-158.644.8000112.7A507 E508 Y509A507-D511 PolarHBondContact O-N 2.84Å; E508-D511 PolarHBondContact O-N 3.31Å; Y509-D511 PolarHBondContact O-N 3.43Å
512R76Confident71.4Confident82 Ų8287.2 Ų87.231%0.30950%0.495SS..Hα-helixtrans-103-7-168.8-58.7-174.169.5-170.63.4115.7V482 E508 Y509 A514 E515V482-R512 HydrophobicContact CG1-CB 3.9Å; E508-R512 HydrophobicContact CG-CG 4.3Å; E508-R512 WeakPolarHBondContact O-CB 3.49Å; E508-R512 WeakPolarHBondContact O-CG 3.38Å; E508-R512 PolarHBondContact O-N 3.26Å; E508-R512 IonicContact OE1-NH1 2.7Å; E508-R512 PolarHBondContact OE1-NH1 2.93Å; E508-R512 VanDerWaalsContact OE1-NH1 3.13Å; Y509-R512 PolarHBondContact O-N 3.26Å; R512-A514 PolarHBondContact O-N 3.17Å; R512-E515 PolarHBondContact O-N 3.48Å
513H70.1Confident69.7Low86 Ų8685.1 Ų85.140%0.39850%0.5SS..THydrogen-bonded Turntrans-66-25.6-174.475-69.3000113.8Y509 A510Y509-H513 HydrophobicContact CD1-CB 3.95Å; Y509-H513 HydrophobicContact CD2-CB 4.44Å; Y509-H513 HydrophobicContact CE1-CB 3.45Å; Y509-H513 VanDerWaalsContact CE1-CB 3.45Å; Y509-H513 AromaticContact CE1-CG 3.95Å; Y509-H513 HydrophobicContact CE2-CB 4.12Å; Y509-H513 HydrophobicContact CG-CB 4.42Å; Y509-H513 WeakPolarHBondContact O-CB 3.18Å; Y509-H513 PolarHBondContact O-N 3.46Å; Y509-H513 PolarHBondContact O-ND1 3.18Å; A510-H513 PolarHBondContact O-CE1 3.08Å; A510-H513 VanDerWaalsContact O-CE1 3.28Å; A510-H513 PolarHBondContact O-ND1 3.49Å
514A66.9Low67.8Low62 Ų6290.4 Ų90.451%0.51251%0.51SS..THydrogen-bonded Turntrans-69.1-38.7177.700000112R512 L516 S517R512-A514 PolarHBondContact O-N 3.17Å; A514-L516 PolarHBondContact O-N 3.4Å; A514-S517 PolarHBondContact O-N 2.9Å; A514-S517 PolarHBondContact O-OG 2.76Å
515E62Low66.5Low149 Ų14993.3 Ų93.370%0.69653%0.529SS*.THydrogen-bonded Turntrans-68.6-18.7-176-61.4-176.2155.500114.1R512R512-E515 PolarHBondContact O-N 3.48Å
516L60.8Low65.7Low64 Ų6498.5 Ų98.534%0.33556%0.561SS.*THydrogen-bonded Turntrans-116.510.9-176.1-71.3161.1000112.7F478 V482 A514 G518F478-L516 HydrophobicContact CE1-CB 4.39Å; F478-L516 HydrophobicContact CZ-CB 4.17Å; F478-L516 WeakPolarHBondContact CZ-O 3.46Å; V482-L516 HydrophobicContact CB-CD1 4.22Å; V482-L516 HydrophobicContact CG1-CD1 3.92Å; V482-L516 HydrophobicContact CG2-CD1 3.82Å; A514-L516 PolarHBondContact O-N 3.4Å; L516-G518 PolarHBondContact O-N 2.69Å
517S55.8Low65.3Low100 Ų100102.1 Ų102.170%0.69958%0.575SS**  trans-7656.1178.267.70000112.6A514A514-S517 PolarHBondContact O-N 2.9Å; A514-S517 PolarHBondContact O-OG 2.76Å
518G52.6Low65.3Low60 Ų60106.3 Ų106.362%0.61958%0.581SS**SBendtrans-153.3101.7176.700000111.3L516L516-G518 PolarHBondContact O-N 2.69Å
519S49.8Very low65.3Low100 Ų100109.1 Ų109.170%0.69960%0.602SS**SBendtrans64.1137.6172.2-169.90000117.2L521S519-L521 PolarHBondContact O-N 3.43Å
520P47Very low65.3Low86 Ų86114 Ų11456%0.55863%0.629SS**  trans-66.2105.1175.427.3-32.3000109.6K522P520-K522 VanDerWaalsContact C-N 3.35Å; P520-K522 PolarHBondContact O-N 3.43Å
521L52.8Low65.4Low131 Ų131114.6 Ų114.669%0.68663%0.634SS**  trans-55.598.6168.6-74.2164.1000108.7S519 S523S519-L521 PolarHBondContact O-N 3.43Å; L521-S523 VanDerWaalsContact C-N 3.32Å; L521-S523 PolarHBondContact O-N 2.91Å
522K49.6Very low65.7Low181 Ų181111.4 Ų111.479%0.78762%0.622SS**  trans-60.596.9169.5-70.5-176.9-179177.60106.9P520 K524P520-K522 VanDerWaalsContact C-N 3.35Å; P520-K522 PolarHBondContact O-N 3.43Å; K522-K524 PolarHBondContact O-N 2.69Å
523S50.9Low66.1Low95 Ų95111.3 Ų111.366%0.66463%0.626SS**  trans-6782.3168.4173.80000108L521 S525L521-S523 VanDerWaalsContact C-N 3.32Å; L521-S523 PolarHBondContact O-N 2.91Å; S523-S525 PolarHBondContact O-N 2.64Å
524K48.4Very low66.9Low180 Ų180110.9 Ų110.978%0.78363%0.626SS**  trans-69.180.2165.2-72.5-173.1178-177.90107.3K522 T526K522-K524 PolarHBondContact O-N 2.69Å; K524-T526 VanDerWaalsContact C-N 3.3Å; K524-T526 PolarHBondContact O-N 3.43Å; K524-T526 VanDerWaalsContact O-N 3.16Å
525S58.4Low67.8Low96 Ų96109 Ų10967%0.67161%0.613SS**  trans-76.495158.5-178.40000105.8S523 R527S523-S525 PolarHBondContact O-N 2.64Å; S525-R527 PolarHBondContact O-N 3.44Å
526T70.4Confident69.1Low127 Ų127108.4 Ų108.478%0.77961%0.605SS**  trans-63104167.124.70000107.2K524 K528K524-T526 VanDerWaalsContact C-N 3.3Å; K524-T526 PolarHBondContact O-N 3.43Å; K524-T526 VanDerWaalsContact O-N 3.16Å; T526-K528 PolarHBondContact O-N 3.46Å
527R77.4Confident70.3Confident229 Ų229110.5 Ų110.586%0.86462%0.616SS**PPolyproline II helixtrans-63.3131.3169.8-70.2-173.3178.4-175.50.6107.3S525S525-R527 PolarHBondContact O-N 3.44Å
528K86.1Confident71.6Confident155 Ų155112.5 Ų112.567%0.67461%0.614SS**PPolyproline II helixtrans-63.2139.8172.8-65.9-173.1177.4-171.90109T526T526-K528 PolarHBondContact O-N 3.46Å
529P86.5Confident73.2Confident91 Ų91116 Ų11659%0.59162%0.617SS**PPolyproline II helixtrans-63.9151.6176.626.5-33.1000110.5A531 C532 I533P529-A531 PolarHBondContact O-N 2.78Å; P529-C532 HydrophobicContact CG-CB 4.11Å; P529-C532 WeakPolarHBondContact O-CB 3.47Å; P529-C532 PolarHBondContact O-N 2.95Å; P529-I533 PolarHBondContact O-N 3.12Å
530L83.9Confident74.8Confident122 Ų122116.1 Ų116.164%0.63961%0.607SS**Hα-helixtrans-56.1-38.3-176.5-178.161.5000112.2C532 I533 I534L530-C532 VanDerWaalsContact C-N 3.26Å; L530-C532 PolarHBondContact O-N 3.3Å; L530-I533 WeakPolarHBondContact O-CA 3.39Å; L530-I533 WeakPolarHBondContact O-CB 2.88Å; L530-I533 PolarHBondContact O-N 3.26Å; L530-I534 HydrophobicContact CD1-CD1 4.43Å; L530-I534 HydrophobicContact CD1-CG1 4.38Å; L530-I534 HydrophobicContact CD2-CD1 4.38Å; L530-I534 HydrophobicContact CG-CD1 3.89Å; L530-I534 HydrophobicContact CG-CG1 4.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.44Å; L530-I534 PolarHBondContact O-N 3.49Å
531A86.9Confident76.3Confident76 Ų76116.6 Ų116.663%0.62861%0.61SS**Hα-helixtrans-55.6-38.8176.800000113.1P529 I533 I534 G535P529-A531 PolarHBondContact O-N 2.78Å; A531-I533 VanDerWaalsContact C-N 3.31Å; A531-I533 PolarHBondContact O-N 3.08Å; A531-I534 PolarHBondContact O-N 2.86Å; A531-G535 PolarHBondContact O-N 2.79Å
532C87.1Confident77.3Confident68 Ų68115 Ų11546%0.45962%0.616SS.*Hα-helixtrans-72.1-27.7178.6-169.20000112P529 L530 Y536P529-C532 HydrophobicContact CG-CB 4.11Å; P529-C532 WeakPolarHBondContact O-CB 3.47Å; P529-C532 PolarHBondContact O-N 2.95Å; L530-C532 VanDerWaalsContact C-N 3.26Å; L530-C532 PolarHBondContact O-N 3.3Å; C532-Y536 WeakPolarHBondContact O-CB 3.33Å; C532-Y536 PolarHBondContact O-N 3.26Å
533I85.5Confident78.2Confident79 Ų79116.1 Ų116.141%0.40562%0.621SS.*Hα-helixtrans-75.5-42.2174.7-60172.4000110.2P529 L530 A531 Y536 L537P529-I533 PolarHBondContact O-N 3.12Å; L530-I533 WeakPolarHBondContact O-CA 3.39Å; L530-I533 WeakPolarHBondContact O-CB 2.88Å; L530-I533 PolarHBondContact O-N 3.26Å; A531-I533 VanDerWaalsContact C-N 3.31Å; A531-I533 PolarHBondContact O-N 3.08Å; I533-Y536 WeakPolarHBondContact O-CB 3.41Å; I533-Y536 PolarHBondContact O-N 2.89Å; I533-L537 HydrophobicContact CG2-CD1 4.14Å; I533-L537 WeakPolarHBondContact O-CG 3.47Å; I533-L537 PolarHBondContact O-N 3.19Å
534I85.4Confident78.2Confident77 Ų77120.7 Ų120.740%0.39563%0.629SS.*Hα-helixtrans-61.1-52.2177.1-67.4171.4000110.1L530 A531 Y536 L537 E538L530-I534 HydrophobicContact CD1-CD1 4.43Å; L530-I534 HydrophobicContact CD1-CG1 4.38Å; L530-I534 HydrophobicContact CD2-CD1 4.38Å; L530-I534 HydrophobicContact CG-CD1 3.89Å; L530-I534 HydrophobicContact CG-CG1 4.29Å; L530-I534 WeakPolarHBondContact O-CG1 3.44Å; L530-I534 PolarHBondContact O-N 3.49Å; A531-I534 PolarHBondContact O-N 2.86Å; I534-Y536 PolarHBondContact O-N 3.05Å; I534-L537 PolarHBondContact O-N 3.22Å; I534-E538 HydrophobicContact CG2-CG 4.39Å; I534-E538 WeakPolarHBondContact CG2-OE1 3.13Å; I534-E538 WeakPolarHBondContact O-CG 3.38Å; I534-E538 PolarHBondContact O-N 2.9Å
535G87Confident78.4Confident23 Ų23117.4 Ų117.424%0.23763%0.626CS.*Hα-helixtrans-58.9-34.8176.900000113.1A531 I539A531-G535 PolarHBondContact O-N 2.79Å; G535-I539 WeakPolarHBondContact O-CD1 3.2Å; G535-I539 VanDerWaalsContact O-CG1 3.22Å; G535-I539 WeakPolarHBondContact O-CG1 3.38Å; G535-I539 PolarHBondContact O-N 2.94Å
536Y88.6Confident77.8Confident137 Ų137120.3 Ų120.354%0.53763%0.634SS.*Hα-helixtrans-65.2-41.7173.8179.5-95.3000112.7C532 I533 I534 H540C532-Y536 WeakPolarHBondContact O-CB 3.33Å; C532-Y536 PolarHBondContact O-N 3.26Å; I533-Y536 WeakPolarHBondContact O-CB 3.41Å; I533-Y536 PolarHBondContact O-N 2.89Å; I534-Y536 PolarHBondContact O-N 3.05Å; Y536-H540 AromaticContact CD2-CE1 3.75Å; Y536-H540 AromaticContact CD2-ND1 3.67Å; Y536-H540 AromaticContact CE2-CE1 3.47Å; Y536-H540 VanDerWaalsContact CE2-CE1 3.47Å; Y536-H540 WeakPolarHBondContact CE2-CE1 3.29Å; Y536-H540 AromaticContact CE2-ND1 3.56Å; Y536-H540 AromaticContact CZ-ND1 3.89Å; Y536-H540 WeakPolarHBondContact O-CB 3.49Å; Y536-H540 PolarHBondContact O-N 3.39Å; Y536-H540 VanDerWaalsContact O-N 3.07Å; Y536-H540 PolarHBondContact O-ND1 2.96Å
537L85.7Confident76.4Confident107 Ų107120.3 Ų120.356%0.5663%0.633SS**Hα-helixtrans-71.3-32.4179.6-69.3172000112.6I533 I534 H540I533-L537 HydrophobicContact CG2-CD1 4.14Å; I533-L537 WeakPolarHBondContact O-CG 3.47Å; I533-L537 PolarHBondContact O-N 3.19Å; I534-L537 PolarHBondContact O-N 3.22Å; L537-H540 CarbonylContact O-C 3.59Å; L537-H540 PolarHBondContact O-N 3.45Å
538E84Confident74.8Confident142 Ų142116.3 Ų116.366%0.66463%0.627SS**Hα-helixtrans-67.8-38.9174.6-72.8172.2173.700112.2I534 H540 P541I534-E538 HydrophobicContact CG2-CG 4.39Å; I534-E538 WeakPolarHBondContact CG2-OE1 3.13Å; I534-E538 WeakPolarHBondContact O-CG 3.38Å; I534-E538 PolarHBondContact O-N 2.9Å; E538-H540 VanDerWaalsContact C-N 3.31Å; E538-P541 WeakPolarHBondContact O-CD 3.44Å
539I86.6Confident72.4Confident133 Ų133120.3 Ų120.368%0.68264%0.638SS**Hα-helixtrans-74.9-23.6175.8-61.3164.2000111.5G535 P541G535-I539 WeakPolarHBondContact O-CD1 3.2Å; G535-I539 VanDerWaalsContact O-CG1 3.22Å; G535-I539 WeakPolarHBondContact O-CG1 3.38Å; G535-I539 PolarHBondContact O-N 2.94Å; I539-P541 VanDerWaalsContact O-CD 3.3Å; I539-P541 WeakPolarHBondContact O-CD 3.39Å
540H83Confident69.9Low103 Ų103121.1 Ų121.148%0.47765%0.646SS.*SBendtrans-121.463.1-179.4-55.981.3000111.6Y536 L537 E538 A542Y536-H540 AromaticContact CD2-CE1 3.75Å; Y536-H540 AromaticContact CD2-ND1 3.67Å; Y536-H540 AromaticContact CE2-CE1 3.47Å; Y536-H540 VanDerWaalsContact CE2-CE1 3.47Å; Y536-H540 WeakPolarHBondContact CE2-CE1 3.29Å; Y536-H540 AromaticContact CE2-ND1 3.56Å; Y536-H540 AromaticContact CZ-ND1 3.89Å; Y536-H540 WeakPolarHBondContact O-CB 3.49Å; Y536-H540 PolarHBondContact O-N 3.39Å; Y536-H540 VanDerWaalsContact O-N 3.07Å; Y536-H540 PolarHBondContact O-ND1 2.96Å; L537-H540 CarbonylContact O-C 3.59Å; L537-H540 PolarHBondContact O-N 3.45Å; E538-H540 VanDerWaalsContact C-N 3.31Å; H540-A542 PolarHBondContact O-N 3.42Å
541P78.4Confident67.7Low97 Ų97121.6 Ų121.663%0.6365%0.654SS**  trans-64.3139.2179.527.8-33.3000110E538 I539 K543E538-P541 WeakPolarHBondContact O-CD 3.44Å; I539-P541 VanDerWaalsContact O-CD 3.3Å; I539-P541 WeakPolarHBondContact O-CD 3.39Å; P541-K543 PolarHBondContact O-N 3.19Å; P541-K543 VanDerWaalsContact O-N 3.12Å
542A73.1Confident65.3Low97 Ų97124.2 Ų124.280%0.80267%0.665SS**  trans-62.9116179.700000110.4H540 K544H540-A542 PolarHBondContact O-N 3.42Å; A542-K544 PolarHBondContact O-N 3.27Å; A542-K544 VanDerWaalsContact O-N 3.09Å
543K68.3Low62.7Low205 Ų205126.4 Ų126.489%0.89168%0.681SS**  trans-65.2109.3164.9-71.5-173.2179.1-177.10107.8P541 P545P541-K543 PolarHBondContact O-N 3.19Å; P541-K543 VanDerWaalsContact O-N 3.12Å; K543-P545 WeakPolarHBondContact O-CD 3.28Å
544K52.2Low60.5Low191 Ų191130.6 Ų130.683%0.8370%0.703SS**  trans-57.5125.7171.3-74.1-178.4178.8177.80108.4A542 N546A542-K544 PolarHBondContact O-N 3.27Å; A542-K544 VanDerWaalsContact O-N 3.09Å; K544-N546 PolarHBondContact O-N 3.27Å
545P51.8Low58Low111 Ų111136.1 Ų136.172%0.72173%0.727SS**  trans-66.6128.4169.825.1-29.3000108.8K543 V547K543-P545 WeakPolarHBondContact O-CD 3.28Å; P545-V547 PolarHBondContact O-N 3.47Å
546N45.1Very low55.3Low157 Ų157141.5 Ų141.584%0.8476%0.756SS**  trans-61.8105.9169.2-81.1-29000108.5K544 I548K544-N546 PolarHBondContact O-N 3.27Å; N546-I548 PolarHBondContact O-N 3.34Å; N546-I548 VanDerWaalsContact O-N 3.13Å
547V41.7Very low53Low126 Ų126140.4 Ų140.476%0.76477%0.766SS**  trans-79.792.8171.7-178.50000107.4P545 R549P545-V547 PolarHBondContact O-N 3.47Å; V547-R549 PolarHBondContact O-N 3Å
548I43Very low50.3Low146 Ų146141.9 Ų141.975%0.74978%0.779SS**  trans-72110.7163.2-60.3174.3000106.3N546 S550N546-I548 PolarHBondContact O-N 3.34Å; N546-I548 VanDerWaalsContact O-N 3.13Å; I548-S550 PolarHBondContact O-N 2.82Å
549R36.6Very low47.7Very low238 Ų238141.7 Ų141.790%0.89879%0.788SS**  trans-70.9102.8170.9-101.2-178.3177175.7-1.1108.5V547V547-R549 PolarHBondContact O-N 3Å
550S34.8Very low45.3Very low109 Ų109144.5 Ų144.576%0.76280%0.795SS**PPolyproline II helixtrans-81.5132.2164.9-52.60000110I548I548-S550 PolarHBondContact O-N 2.82Å
551T37.3Very low42.7Very low132 Ų132151.6 Ų151.681%0.8182%0.818SS**PPolyproline II helixtrans-68141.3173.546.50000111.9
552P36.5Very low40.5Very low130 Ų130154.5 Ų154.584%0.84483%0.825SS**PPolyproline II helixtrans-91.9118.7174.132.1-26.2000111.6
553S31.6Very low38.4Very low115 Ų115157.9 Ų157.980%0.80483%0.828SS**PPolyproline II helixtrans-87.5145.6165.455.10000111.5
554L38.7Very low36.4Very low166 Ų166154.4 Ų154.487%0.86982%0.824SS**PPolyproline II helixtrans-49.5135172.5-96.265.6000113.7
555Q33.3Very low35.4Very low194 Ų194151.1 Ų151.191%0.90782%0.82SS**  -176.1155.9126.1-97.7171.423.600112.2
556T30.8Very low34.3Very low136 Ų136151 Ų15183%0.83482%0.82SS**  trans-99.4-161.4-151.348.80000114.1
557P39.9Very low33.5Very low114 Ų114150.5 Ų150.574%0.7482%0.817SS**  -119.6153.7-10135.3-16.3000115.3
558T29Very low32.8Very low138 Ų138153.5 Ų153.585%0.84782%0.822SS**  trans-140.9115.1158.933.70000113.4
559T29.7Very low32.1Very low137 Ų137152 Ų15284%0.8482%0.82SS**  trans28.7103.3148.543.50000122.3
560K36.2Very low31.6Very low193 Ų193146.2 Ų146.284%0.83982%0.817SS**  trans-0.9129.2148-66177.3178176.20119.3
561R28.8Very low31.3Very low252 Ų252147.7 Ų147.795%0.95182%0.815SS**  -137.6111.7127.4-146.1176.1-169.8-179.93.7109.8
562M32.3Very low31.1Very low158 Ų158147.1 Ų147.178%0.77882%0.817SS**  trans-74.1123.6-178.6-62.7-120.894.100110.7
563L28Very low31Very low168 Ų168146.9 Ų146.988%0.8881%0.807SS**  trans-143116.8153.3-98.7156.2000106.8T565L563-T565 PolarHBondContact O-N 3.35Å
564T27.7Very low30.9Very low131 Ų131150 Ų15080%0.80481%0.813SS**PPolyproline II helixtrans-71.2119.3-177.336.80000111
565T29.8Very low30.5Very low122 Ų122144.9 Ų144.975%0.74880%0.801SS**PPolyproline II helixtrans-83128.4163.335.10000109.6L563 N567L563-T565 PolarHBondContact O-N 3.35Å; T565-N567 PolarHBondContact O-N 3.34Å
566P29.9Very low30.3Very low110 Ų110145.3 Ų145.371%0.71480%0.799SS**PPolyproline II helixtrans-74.4122.5168.5-1.217000109.4H568P566-H568 PolarHBondContact O-N 3.38Å
567N26.8Very low30.2Very low146 Ų146148.1 Ų148.178%0.78180%0.795SS**  trans-63.7114.5167.9-76.1-18.5000109.2T565 T569T565-N567 PolarHBondContact O-N 3.34Å; N567-T569 PolarHBondContact O-N 2.94Å
568H28.2Very low29.5Very low188 Ų188150.5 Ų150.587%0.8780%0.801SS**  trans-81.790161.1-81.4-80000108.2P566P566-H568 PolarHBondContact O-N 3.38Å
569T27.8Very low29.3Very low114 Ų114153.3 Ų153.370%0.69980%0.798SS**  trans-82.4110.7159.429.30000108.2N567 L571N567-T569 PolarHBondContact O-N 2.94Å; T569-L571 PolarHBondContact O-N 3.17Å; T569-L571 VanDerWaalsContact O-N 3.1Å
570S26.1Very low29.2Very low118 Ų118152 Ų15283%0.82579%0.794SS**  trans-69.197.2167.645.30000109.1S572S570-S572 PolarHBondContact O-N 3.06Å
571L28.5Very low28.8Very low140 Ų140150.1 Ų150.173%0.73379%0.788SS**  trans-74.1101.6166.6-71.7174000108.7T569 I573T569-L571 PolarHBondContact O-N 3.17Å; T569-L571 VanDerWaalsContact O-N 3.1Å; L571-I573 HydrophobicContact CB-CD1 4Å; L571-I573 HydrophobicContact CB-CG1 4.12Å; L571-I573 HydrophobicContact CD1-CD1 4.12Å; L571-I573 HydrophobicContact CD2-CD1 4.06Å; L571-I573 HydrophobicContact CG-CD1 4.28Å; L571-I573 PolarHBondContact O-N 3.12Å
572S33.7Very low28.7Very low120 Ų120147.1 Ų147.184%0.83979%0.785SS**  trans-79.6103.9156.850.90000107S570S570-S572 PolarHBondContact O-N 3.06Å
573I33.7Very low28.4Very low125 Ų125145.7 Ų145.764%0.64178%0.78SS**  trans-12787.8176.2-61.8174.9000107.9L571 G575L571-I573 HydrophobicContact CB-CD1 4Å; L571-I573 HydrophobicContact CB-CG1 4.12Å; L571-I573 HydrophobicContact CD1-CD1 4.12Å; L571-I573 HydrophobicContact CD2-CD1 4.06Å; L571-I573 HydrophobicContact CG-CD1 4.28Å; L571-I573 PolarHBondContact O-N 3.12Å; I573-G575 PolarHBondContact O-N 3.37Å; I573-G575 VanDerWaalsContact O-N 3.09Å
574L30.5Very low28.3Very low180 Ų180141.4 Ų141.494%0.94278%0.776SS**  trans-6889.9150.7-93.5154.9000106.7K576L574-K576 PolarHBondContact O-N 3.47Å
575G29.1Very low28.2Very low58 Ų58142.7 Ų142.760%0.59878%0.778SS**  trans-67.2114.9175.300000110.3I573 R577I573-G575 PolarHBondContact O-N 3.37Å; I573-G575 VanDerWaalsContact O-N 3.09Å; G575-R577 PolarHBondContact O-N 3.04Å
576K29.5Very low28.1Very low203 Ų203144.2 Ų144.288%0.88378%0.781SS**  trans-54.6124.8173.1-68.4-179.7175.5-179.60110.1L574 N578L574-K576 PolarHBondContact O-N 3.47Å; K576-N578 PolarHBondContact O-N 2.92Å
577R29.1Very low27.9Very low195 Ų195148.2 Ų148.274%0.73679%0.79SS**  trans-65.6124.4167.5-73.3175.6171163.1-5.5108.6G575G575-R577 PolarHBondContact O-N 3.04Å
578N24.7Very low27.8Very low164 Ų164148.5 Ų148.588%0.87779%0.791SS**  trans-83.3108.3158.2-84.4-13.4000107.1K576 S580K576-N578 PolarHBondContact O-N 2.92Å; N578-S580 PolarHBondContact O-N 2.93Å
579Y26Very low27.7Very low198 Ų198145.7 Ų145.778%0.77679%0.787SS**  trans-71.9109.3164.1-108-93.6000107.7H581Y579-H581 PolarHBondContact O-N 3.11Å
580S27.8Very low27.6Very low109 Ų109145.8 Ų145.876%0.76279%0.791SS**  trans-80.4108.9163.548.80000108N578 H582N578-S580 PolarHBondContact O-N 2.93Å; S580-H582 PolarHBondContact O-N 2.57Å
581H27.5Very low27.5Very low154 Ų154145.8 Ų145.871%0.71379%0.79SS**  trans-62115.8168.3-84-93000109.9Y579Y579-H581 PolarHBondContact O-N 3.11Å
582H25.9Very low27.3Very low189 Ų189145.6 Ų145.688%0.87579%0.794SS**  trans-83.993.2149.1-104.3-55.5000106.7S580S580-H582 PolarHBondContact O-N 2.57Å
583N26.2Very low26.9Very low128 Ų128144.8 Ų144.868%0.68479%0.789SS**  trans-107.7101.3156.5-85.78.8000106.5L585N583-L585 PolarHBondContact O-N 3.05Å
584G26.1Very low26.8Very low78 Ų78150.1 Ų150.180%0.80482%0.819SS**  trans-74.1111.815700000107.4
585L25.5Very low26.6Very low158 Ų158148.7 Ų148.783%0.82781%0.812SS**  trans-103.1105161.3-92158.9000105.6N583 E587N583-L585 PolarHBondContact O-N 3.05Å; L585-E587 PolarHBondContact O-N 3.12Å
586D27.1Very low26.5Very low153 Ų153153.4 Ų153.482%0.81882%0.824SS**  trans-64.4124163.5-77.3-41000108.3L588D586-L588 PolarHBondContact O-N 3.38Å; D586-L588 VanDerWaalsContact O-N 3.12Å
587E26Very low26.3Very low194 Ų194150.7 Ų150.791%0.90782%0.82SS**  trans-66.1102.4168.3-78.4178.7140.900109.2L585L585-E587 PolarHBondContact O-N 3.12Å
588L25.5Very low26.2Very low153 Ų153148.1 Ų148.180%0.80183%0.825SS**  trans-101.197.9159.6-101.4136.3000108.5D586 C590D586-L588 PolarHBondContact O-N 3.38Å; D586-L588 VanDerWaalsContact O-N 3.12Å; L588-C590 PolarHBondContact O-N 2.99Å
589T26.3Very low26.3Very low128 Ų128147.1 Ų147.179%0.78582%0.822SS**  trans-59.6106.1162.426.30000109.7
590C24.6Very low26.3Very low116 Ų116143.7 Ų143.778%0.78483%0.825SS**  trans-86.8105.9163-75.10000108.9L588 V592L588-C590 PolarHBondContact O-N 2.99Å; C590-V592 PolarHBondContact O-N 3.01Å
591C23.8Very low26.2Very low119 Ų119146.1 Ų146.180%0.80483%0.83SS**  trans-64.3123.3161.3-61.90000108.7
592V24.6Very low26.1Very low135 Ų135145.5 Ų145.582%0.81884%0.839SS**  trans-81.6126.8164.6177.80000107.2C590C590-V592 PolarHBondContact O-N 3.01Å
593S25.3Very low26.1Very low104 Ų104141.9 Ų141.973%0.72784%0.836SS**  trans-131.6126.7162.1-61.20000107.1
594D32.3Very low26.1Very low237 Ų237143.2 Ų143.2100%1.26785%0.849SS**  trans63.90176.7-58.2-24.5000119.5

Retrieved 594 of 594 residues in 532.5 ms (Link to these results)

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