A0A096M6M3_POEFO Loading...

Metastasis associated 1 family, member 2

AlphaFold DB , UniProt , Accession A0A096M6M3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.5Very low81.5Confident242 Ų24270.4 Ų70.4100%1.19240%0.402SS*.  0133.20-81.3175.6-171.600108.9A3M1-A3 PolarHBondContact O-N 3.23Å
2A51.9Low82.6Confident56 Ų5664.5 Ų64.546%0.46337%0.369SS..  trans-68.991.1-174.600000111.7N4 M5A2-N4 PolarHBondContact O-N 3.29Å; A2-M5 HydrophobicContact CB-CB 3.77Å; A2-M5 HydrophobicContact CB-CE 4.22Å; A2-M5 PolarHBondContact O-N 3.5Å; A2-M5 VanDerWaalsContact O-N 3.11Å
3A64.3Low83.6Confident84 Ų8459.8 Ų59.869%0.69434%0.342SS*.THydrogen-bonded Turntrans-56.8-16.7-178.100000114.4M1M1-A3 PolarHBondContact O-N 3.23Å
4N82.9Confident84.3Confident35 Ų3555.7 Ų55.719%0.18732%0.318CS..THydrogen-bonded Turntrans-110.511-175.4-74.3-17.8000113.8A2 Y6 Y335 I336 T338A2-N4 PolarHBondContact O-N 3.29Å; N4-Y6 WeakPolarHBondContact O-CD2 3.18Å; N4-Y6 WeakPolarHBondContact O-CE2 3.39Å; N4-Y335 HydrophobicContact CB-CD2 3.88Å; N4-Y335 HydrophobicContact CB-CE2 3.38Å; N4-Y335 WeakPolarHBondContact O-CA 3.2Å; N4-I336 VanDerWaalsContact CB-O 3.3Å; N4-I336 WeakPolarHBondContact CB-O 3.36Å; N4-I336 PolarHBondContact O-N 3.4Å; N4-T338 PolarHBondContact ND2-OG1 3.25Å
5M89.8Confident84.7Confident50 Ų5053.9 Ų53.925%0.24631%0.305CS..EExtended strand (participates in β ladder)trans-102.5121.7179.3-176.2174.665.200110.8A2 R7 K105 Q333A2-M5 HydrophobicContact CB-CB 3.77Å; A2-M5 HydrophobicContact CB-CE 4.22Å; A2-M5 PolarHBondContact O-N 3.5Å; A2-M5 VanDerWaalsContact O-N 3.11Å; M5-R7 VanDerWaalsContact CE-NH2 3.31Å; M5-K105 WeakPolarHBondContact O-CE 3.45Å; M5-K105 PolarHBondContact O-NZ 3.36Å; M5-Q333 HydrophobicContact CG-CB 4.5Å; M5-Q333 PolarHBondContact SD-OE1 3.38Å
6Y93Very high84.7Confident8 Ų857.6 Ų57.63%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-115.3140.4-176.1-59.3-90000110.6N4 V12 I102 G104 K105 Q333 V334 I336N4-Y6 WeakPolarHBondContact O-CD2 3.18Å; N4-Y6 WeakPolarHBondContact O-CE2 3.39Å; Y6-V12 HydrophobicContact CD1-CG1 3.57Å; Y6-V12 HydrophobicContact CE1-CG1 3.99Å; Y6-I102 HydrophobicContact CD1-CG2 3.66Å; Y6-I102 HydrophobicContact CD2-CG2 4.39Å; Y6-I102 HydrophobicContact CE1-CG2 3.27Å; Y6-I102 HydrophobicContact CE2-CG2 4.09Å; Y6-I102 HydrophobicContact CG-CG2 4.18Å; Y6-G104 WeakPolarHBondContact OH-CA 3.24Å; Y6-G104 PolarHBondContact OH-N 3.22Å; Y6-K105 HydrophobicContact CD1-CD 4.33Å; Y6-K105 HydrophobicContact CD1-CG 3.71Å; Y6-K105 HydrophobicContact CE1-CD 4.48Å; Y6-K105 HydrophobicContact CE1-CG 3.52Å; Y6-Q333 CarbonylContact O-C 3.59Å; Y6-Q333 WeakPolarHBondContact O-CA 3.5Å; Y6-Q333 WeakPolarHBondContact O-CB 3.26Å; Y6-V334 PolarHBondContact N-O 2.99Å; Y6-V334 PolarHBondContact O-N 3.13Å; Y6-I336 HydrophobicContact CD2-CB 4.18Å; Y6-I336 HydrophobicContact CD2-CD1 3.59Å; Y6-I336 HydrophobicContact CD2-CG1 3.93Å; Y6-I336 HydrophobicContact CE2-CB 3.92Å; Y6-I336 HydrophobicContact CE2-CD1 3.86Å; Y6-I336 HydrophobicContact CE2-CG1 4.16Å; Y6-I336 HydrophobicContact CG-CD1 4.3Å
7R93.8Very high84.7Confident121 Ų12156.4 Ų56.446%0.45732%0.32SS..EExtended strand (participates in β ladder)trans-122.9155.3-174.2-59.7-172168.9-166.4-4.1111.2M5 G9 D10 K332 Q333M5-R7 VanDerWaalsContact CE-NH2 3.31Å; R7-G9 PolarHBondContact O-N 2.95Å; R7-D10 PolarHBondContact N-OD2 3.36Å; R7-D10 VanDerWaalsContact O-CB 3.3Å; R7-D10 WeakPolarHBondContact O-CB 3.48Å; R7-D10 PolarHBondContact O-N 3.47Å; R7-D10 VanDerWaalsContact O-N 3.1Å; R7-K332 WeakPolarHBondContact CA-O 3.27Å; R7-Q333 HydrophobicContact CG-CB 3.95Å; R7-Q333 VanDerWaalsContact NH2-OE1 3.08Å
8V92.8Very high84.4Confident64 Ų6455.3 Ų55.339%0.38832%0.317SS..THydrogen-bonded Turntrans-57.6132.7166.3176.30000108.9I27 E28 L30 K332V8-I27 HydrophobicContact CG2-CG2 4.33Å; V8-E28 WeakPolarHBondContact CG1-O 3.42Å; V8-L30 HydrophobicContact CG2-CD1 4.22Å; V8-L30 HydrophobicContact CG2-CG 4.15Å; V8-K332 PolarHBondContact N-O 2.87Å; V8-K332 VanDerWaalsContact N-O 3.11Å
9G93.4Very high84.3Confident41 Ų4155.6 Ų55.642%0.42332%0.322SS..THydrogen-bonded Turntrans96.9-19.7-172.800000114.6R7 I27R7-G9 PolarHBondContact O-N 2.95Å; G9-I27 WeakPolarHBondContact CA-O 3.28Å; G9-I27 PolarHBondContact N-O 3.39Å
10D95.3Very high84.4Confident40 Ų4055.4 Ų55.421%0.21432%0.32CS..  trans-68.3141.5-179.8-70.9-17.9000111.4R7 V12 I27 K105R7-D10 PolarHBondContact N-OD2 3.36Å; R7-D10 VanDerWaalsContact O-CB 3.3Å; R7-D10 WeakPolarHBondContact O-CB 3.48Å; R7-D10 PolarHBondContact O-N 3.47Å; R7-D10 VanDerWaalsContact O-N 3.1Å; D10-V12 HydrophobicContact CB-CG1 4.24Å; D10-I27 HydrophobicContact CB-CD1 4.48Å; D10-I27 PolarHBondContact O-N 3.11Å; D10-K105 WeakPolarHBondContact OD2-CE 3.38Å; D10-K105 IonicContact OD2-NZ 2.67Å; D10-K105 PolarHBondContact OD2-NZ 2.68Å
11Y96.4Very high84.8Confident33 Ų3353.4 Ų53.413%0.12931%0.309CS..EExtended strand (participates in β ladder)trans-87.4135.4164.2-62.9-92.1000110R25 R26 L45 K105 C106 V108Y11-R25 WeakPolarHBondContact CA-O 3.39Å; Y11-R26 HydrophobicContact CD1-CB 3.78Å; Y11-R26 HydrophobicContact CD1-CG 4.09Å; Y11-R26 HydrophobicContact CE1-CB 3.71Å; Y11-R26 HydrophobicContact CE1-CG 3.89Å; Y11-R26 HydrophobicContact CE2-CG 4.42Å; Y11-R26 HydrophobicContact CG-CG 4.47Å; Y11-L45 HydrophobicContact CD1-CD1 4.09Å; Y11-L45 HydrophobicContact CD1-CD2 4.3Å; Y11-L45 HydrophobicContact CE1-CD1 4.08Å; Y11-L45 HydrophobicContact CE1-CD2 4.05Å; Y11-K105 WeakPolarHBondContact O-CA 3.27Å; Y11-C106 WeakPolarHBondContact CB-O 3.29Å; Y11-C106 PolarHBondContact O-N 2.92Å; Y11-C106 VanDerWaalsContact O-O 3.13Å; Y11-V108 HydrophobicContact CD1-CB 3.61Å; Y11-V108 HydrophobicContact CD1-CG1 4.49Å; Y11-V108 HydrophobicContact CD1-CG2 3.45Å; Y11-V108 VanDerWaalsContact CD1-CG2 3.45Å; Y11-V108 HydrophobicContact CD2-CB 4.02Å; Y11-V108 HydrophobicContact CD2-CG2 4.27Å; Y11-V108 HydrophobicContact CE1-CB 3.69Å; Y11-V108 HydrophobicContact CE1-CG1 4.26Å; Y11-V108 HydrophobicContact CE1-CG2 4.05Å; Y11-V108 HydrophobicContact CE2-CB 4.12Å; Y11-V108 VanDerWaalsContact CE2-O 3.31Å; Y11-V108 WeakPolarHBondContact CE2-O 3.22Å; Y11-V108 HydrophobicContact CG-CB 3.77Å; Y11-V108 HydrophobicContact CG-CG2 3.57Å
12V95.8Very high87.2Confident0 Ų044 Ų440%026%0.261CS..EExtended strand (participates in β ladder)trans-142.1151.8-169.3-67.90000112.9Y6 D10 F14 R25 I27 I102 G104 K105Y6-V12 HydrophobicContact CD1-CG1 3.57Å; Y6-V12 HydrophobicContact CE1-CG1 3.99Å; D10-V12 HydrophobicContact CB-CG1 4.24Å; V12-F14 HydrophobicContact CG2-CD2 3.68Å; V12-F14 HydrophobicContact CG2-CE2 3.35Å; V12-F14 HydrophobicContact CG2-CZ 4.49Å; V12-R25 PolarHBondContact N-O 3.19Å; V12-R25 PolarHBondContact O-N 3.44Å; V12-I27 HydrophobicContact CG1-CD1 3.91Å; V12-I27 HydrophobicContact CG1-CG1 4.4Å; V12-I27 HydrophobicContact CG2-CD1 4.09Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; V12-I102 HydrophobicContact CB-CG2 3.91Å; V12-I102 HydrophobicContact CG1-CG2 4.04Å; V12-I102 HydrophobicContact CG2-CD1 4.41Å; V12-I102 HydrophobicContact CG2-CG1 4.26Å; V12-I102 HydrophobicContact CG2-CG2 4.48Å; V12-G104 CarbonylContact C-O 3.47Å; V12-G104 WeakPolarHBondContact CA-O 3.15Å; V12-G104 WeakPolarHBondContact CB-O 3.49Å; V12-K105 HydrophobicContact CG1-CG 4.39Å
13Y95.2Very high89.3Confident4 Ų443.7 Ų43.72%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-85.4117.2170.6-67.2-52.5000110.7Y22 L23 I24 I102 R103 G104 C106 D125 F127 K401Y13-Y22 HydrophobicContact CD1-CD2 4.28Å; Y13-Y22 HydrophobicContact CD2-CD2 4.43Å; Y13-Y22 AromaticContact CG-CD2 3.97Å; Y13-Y22 HydrophobicContact CG-CD2 3.97Å; Y13-Y22 HydrophobicContact CG-CG 4.35Å; Y13-L23 CarbonylContact C-O 3.58Å; Y13-L23 WeakPolarHBondContact CA-O 3.48Å; Y13-I24 HydrophobicContact CD1-CG1 3.89Å; Y13-I24 HydrophobicContact CE1-CD1 4.33Å; Y13-I24 HydrophobicContact CE1-CG1 3.87Å; Y13-I102 WeakPolarHBondContact O-CA 3.44Å; Y13-R103 PolarHBondContact O-N 2.89Å; Y13-G104 PolarHBondContact N-O 3.16Å; Y13-C106 HydrophobicContact CD2-CB 4.46Å; Y13-C106 HydrophobicContact CE1-CB 4.02Å; Y13-C106 HydrophobicContact CE2-CB 3.88Å; Y13-D125 HydrophobicContact CE2-CB 4.4Å; Y13-D125 PolarHBondContact OH-OD1 3.35Å; Y13-D125 VanDerWaalsContact OH-OD1 3.1Å; Y13-F127 AromaticContact CE1-CE2 3.85Å; Y13-F127 HydrophobicContact CE1-CE2 3.85Å; Y13-F127 AromaticContact CE1-CZ 3.92Å; Y13-F127 HydrophobicContact CE1-CZ 3.92Å; Y13-F127 AromaticContact CZ-CE2 3.85Å; Y13-F127 WeakPolarHBondContact OH-CE2 3.35Å; Y13-F127 WeakPolarHBondContact OH-CZ 3.22Å; Y13-K401 HydrophobicContact CE1-CB 4.37Å; Y13-K401 HydrophobicContact CE2-CD 4.25Å; Y13-K401 HydrophobicContact CE2-CG 3.94Å
14F93.9Very high90.8Very high2 Ų239.7 Ų39.71%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-98.7134.2173.3-91.2-98.9000111.5V12 Y22 L23 R25 A40 V42 L97 H101 I102V12-F14 HydrophobicContact CG2-CD2 3.68Å; V12-F14 HydrophobicContact CG2-CE2 3.35Å; V12-F14 HydrophobicContact CG2-CZ 4.49Å; F14-Y22 CarbonylContact O-C 3.49Å; F14-Y22 VanDerWaalsContact O-CA 3.29Å; F14-Y22 WeakPolarHBondContact O-CA 3.49Å; F14-L23 HydrophobicContact CB-CB 4.22Å; F14-L23 PolarHBondContact N-O 3.22Å; F14-L23 PolarHBondContact O-N 2.89Å; F14-R25 HydrophobicContact CB-CG 4.33Å; F14-R25 HydrophobicContact CD2-CB 3.66Å; F14-R25 HydrophobicContact CD2-CG 3.66Å; F14-R25 HydrophobicContact CE2-CB 3.88Å; F14-R25 HydrophobicContact CE2-CG 4.23Å; F14-R25 HydrophobicContact CG-CG 4.14Å; F14-A40 HydrophobicContact CZ-CB 4.14Å; F14-V42 HydrophobicContact CE2-CG1 3.81Å; F14-V42 HydrophobicContact CE2-CG2 4.44Å; F14-V42 HydrophobicContact CZ-CG1 3.73Å; F14-V42 HydrophobicContact CZ-CG2 4.45Å; F14-L97 HydrophobicContact CD1-CB 4.31Å; F14-L97 HydrophobicContact CD1-CD1 3.9Å; F14-L97 HydrophobicContact CE1-CB 3.82Å; F14-L97 HydrophobicContact CE1-CD1 4.15Å; F14-H101 WeakPolarHBondContact CA-O 3.33Å; F14-H101 HydrophobicContact CD1-CB 3.63Å; F14-H101 HydrophobicContact CE1-CB 4.02Å; F14-I102 HydrophobicContact CD1-CG1 4.44Å; F14-I102 HydrophobicContact CD2-CG1 4.16Å; F14-I102 HydrophobicContact CE1-CG1 3.89Å; F14-I102 HydrophobicContact CE2-CD1 4.15Å; F14-I102 HydrophobicContact CE2-CG1 3.6Å; F14-I102 HydrophobicContact CZ-CD1 3.87Å; F14-I102 HydrophobicContact CZ-CG1 3.43Å; F14-I102 VanDerWaalsContact CZ-CG1 3.43Å
15E90.4Very high91.4Very high28 Ų2838.8 Ų38.813%0.13121%0.212CC..  trans-103.3112.3171.4-175167.4-112.500111Y22 H101 R103 K400E15-Y22 HydrophobicContact CB-CD1 3.98Å; E15-Y22 HydrophobicContact CB-CE1 3.99Å; E15-Y22 HydrophobicContact CG-CD1 4.42Å; E15-Y22 HydrophobicContact CG-CE1 4.24Å; E15-H101 PolarHBondContact N-O 3.07Å; E15-R103 HydrophobicContact CB-CG 3.69Å; E15-R103 IonicContact OE2-CZ 2.78Å; E15-R103 VanDerWaalsContact OE2-CZ 3.3Å; E15-R103 IonicContact OE2-NE 2.69Å; E15-R103 PolarHBondContact OE2-NE 3.24Å; E15-R103 IonicContact OE2-NH2 3.41Å; E15-R103 PolarHBondContact OE2-NH2 3.03Å; E15-K400 IonicContact OE1-NZ 2.63Å; E15-K400 PolarHBondContact OE1-NZ 2.99Å
16N84.5Confident91.7Very high114 Ų11439.9 Ų39.961%0.6121%0.213SC*.SBendtrans-90.2-31.7171.1-170.525.8000112L23N16-L23 HydrophobicContact CB-CD1 4.19Å
17S84.4Confident91.9Very high37 Ų3739.5 Ų39.526%0.25921%0.212SC..  trans-152.7142177.5175.50000109.7S19 N20S17-S19 PolarHBondContact O-N 3.43Å; S17-N20 PolarHBondContact O-N 2.94Å; S17-N20 VanDerWaalsContact O-N 3.17Å
18S79.1Confident91.9Very high37 Ų3736.6 Ų36.626%0.25920%0.203SC..THydrogen-bonded Turntrans-58.9-31.6177.649.20000112.7P344 K400S18-P344 WeakPolarHBondContact OG-CG 3.37Å; S18-K400 PolarHBondContact O-NZ 2.68Å; S18-K400 VanDerWaalsContact O-NZ 3.11Å
19S82.1Confident91.9Very high60 Ų6035.7 Ų35.742%0.4220%0.195SC..THydrogen-bonded Turntrans-88.14.1-179.1-51.70000114.7S17 N345 W399S17-S19 PolarHBondContact O-N 3.43Å; S19-N345 PolarHBondContact OG-ND2 3.37Å; S19-W399 WeakPolarHBondContact O-CH2 3.45Å
20N87.6Confident91.9Very high52 Ų5233.8 Ų33.828%0.27818%0.175SC..SBendtrans-115.7154.7173.8-73.6-18.6000110.4S17 K400 R444S17-N20 PolarHBondContact O-N 2.94Å; S17-N20 VanDerWaalsContact O-N 3.17Å; N20-K400 WeakPolarHBondContact O-CE 3.5Å; N20-K400 PolarHBondContact O-NZ 3.45Å; N20-R444 PolarHBondContact ND2-NH1 3.07Å
21P91.1Very high91.7Very high13 Ų1334.4 Ų34.48%0.08418%0.178CC..PPolyproline II helixtrans-57.1156.8165.7-23.635.3000111.9W399 K400P21-W399 HydrophobicContact CG-CD2 4.4Å; P21-W399 HydrophobicContact CG-CH2 4.32Å; P21-W399 HydrophobicContact CG-CZ2 3.76Å; P21-K400 CarbonylContact C-O 3.48Å; P21-K400 WeakPolarHBondContact CA-O 2.99Å
22Y94.2Very high91.4Very high46 Ų4639.6 Ų39.618%0.1820%0.202CC..PPolyproline II helixtrans-62.3143.1172.6-60.4-41.6000110.6Y13 F14 E15 R47 R103 K400 K401Y13-Y22 HydrophobicContact CD1-CD2 4.28Å; Y13-Y22 HydrophobicContact CD2-CD2 4.43Å; Y13-Y22 AromaticContact CG-CD2 3.97Å; Y13-Y22 HydrophobicContact CG-CD2 3.97Å; Y13-Y22 HydrophobicContact CG-CG 4.35Å; F14-Y22 CarbonylContact O-C 3.49Å; F14-Y22 VanDerWaalsContact O-CA 3.29Å; F14-Y22 WeakPolarHBondContact O-CA 3.49Å; E15-Y22 HydrophobicContact CB-CD1 3.98Å; E15-Y22 HydrophobicContact CB-CE1 3.99Å; E15-Y22 HydrophobicContact CG-CD1 4.42Å; E15-Y22 HydrophobicContact CG-CE1 4.24Å; Y22-R47 PolarHBondContact O-NH1 3.19Å; Y22-R47 PolarHBondContact O-NH2 2.98Å; Y22-R103 HydrophobicContact CD1-CG 4.4Å; Y22-R103 HydrophobicContact CE1-CB 4.07Å; Y22-R103 HydrophobicContact CE1-CG 3.81Å; Y22-K400 WeakPolarHBondContact CB-O 3.47Å; Y22-K400 HydrophobicContact CD2-CB 4.1Å; Y22-K400 WeakPolarHBondContact CD2-O 3.42Å; Y22-K400 HydrophobicContact CE2-CB 3.82Å; Y22-K400 PolarHBondContact N-O 3.4Å; Y22-K401 HydrophobicContact CD2-CG 4.28Å; Y22-K401 HydrophobicContact CE2-CG 4.44Å
23L94.7Very high90.9Very high48 Ų4841.7 Ų41.725%0.25121%0.214SC..EExtended strand (participates in β ladder)trans-87.1144.4168.6-58.4176000108.3Y13 F14 N16Y13-L23 CarbonylContact C-O 3.58Å; Y13-L23 WeakPolarHBondContact CA-O 3.48Å; F14-L23 HydrophobicContact CB-CB 4.22Å; F14-L23 PolarHBondContact N-O 3.22Å; F14-L23 PolarHBondContact O-N 2.89Å; N16-L23 HydrophobicContact CB-CD1 4.19Å
24I95.9Very high90.5Very high1 Ų146.8 Ų46.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-103.4128.2179.5-63.3148.3000107.8Y13 L45 L88 V108 F127Y13-I24 HydrophobicContact CD1-CG1 3.89Å; Y13-I24 HydrophobicContact CE1-CD1 4.33Å; Y13-I24 HydrophobicContact CE1-CG1 3.87Å; I24-L45 HydrophobicContact CB-CB 4.41Å; I24-L45 HydrophobicContact CG2-CB 4.27Å; I24-L45 HydrophobicContact CG2-CD1 4.48Å; I24-L45 HydrophobicContact CG2-CD2 4.43Å; I24-L45 WeakPolarHBondContact O-CB 3.4Å; I24-L45 PolarHBondContact O-N 3.38Å; I24-L45 VanDerWaalsContact O-N 3.15Å; I24-L88 HydrophobicContact CB-CD1 4.12Å; I24-L88 HydrophobicContact CD1-CD1 3.82Å; I24-L88 HydrophobicContact CD1-CD2 3.64Å; I24-L88 HydrophobicContact CD1-CG 4.34Å; I24-L88 HydrophobicContact CG1-CD1 4.5Å; I24-L88 HydrophobicContact CG2-CD1 3.68Å; I24-V108 HydrophobicContact CG2-CG2 4.01Å; I24-F127 HydrophobicContact CD1-CD1 3.98Å; I24-F127 HydrophobicContact CD1-CD2 4.49Å; I24-F127 HydrophobicContact CD1-CE1 3.62Å; I24-F127 HydrophobicContact CD1-CE2 4.16Å; I24-F127 HydrophobicContact CD1-CG 4.44Å; I24-F127 HydrophobicContact CD1-CZ 3.73Å
25R96.3Very high90.1Very high15 Ų1553.6 Ų53.66%0.05729%0.294CS..EExtended strand (participates in β ladder)trans-140.8150.1-173.6-58.6-64.5177.6108.4-3.9110.5Y11 V12 F14 V42 V43 C44 E95Y11-R25 WeakPolarHBondContact CA-O 3.39Å; V12-R25 PolarHBondContact N-O 3.19Å; V12-R25 PolarHBondContact O-N 3.44Å; F14-R25 HydrophobicContact CB-CG 4.33Å; F14-R25 HydrophobicContact CD2-CB 3.66Å; F14-R25 HydrophobicContact CD2-CG 3.66Å; F14-R25 HydrophobicContact CE2-CB 3.88Å; F14-R25 HydrophobicContact CE2-CG 4.23Å; F14-R25 HydrophobicContact CG-CG 4.14Å; R25-V42 HydrophobicContact CB-CB 3.89Å; R25-V42 HydrophobicContact CB-CG1 4.49Å; R25-V42 HydrophobicContact CB-CG2 3.83Å; R25-V42 HydrophobicContact CG-CB 4.5Å; R25-V42 HydrophobicContact CG-CG2 3.88Å; R25-V43 VanDerWaalsContact CA-O 3.24Å; R25-V43 WeakPolarHBondContact CA-O 3.44Å; R25-V43 WeakPolarHBondContact CD-O 3.38Å; R25-C44 PolarHBondContact NH1-SG 3.18Å; R25-E95 IonicContact CZ-OE2 2.65Å; R25-E95 IonicContact NH1-OE1 3.02Å; R25-E95 IonicContact NH1-OE2 2.68Å; R25-E95 PolarHBondContact NH1-OE2 3.02Å; R25-E95 IonicContact NH2-OE1 3.37Å; R25-E95 IonicContact NH2-OE2 3.28Å; R25-E95 PolarHBondContact NH2-OE2 3.3Å
26R96.4Very high89.8Confident74 Ų7454 Ų5428%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-102.1130170.1-169.6174.981.3-175.77.3110Y11 E28 V42 V43 L45Y11-R26 HydrophobicContact CD1-CB 3.78Å; Y11-R26 HydrophobicContact CD1-CG 4.09Å; Y11-R26 HydrophobicContact CE1-CB 3.71Å; Y11-R26 HydrophobicContact CE1-CG 3.89Å; Y11-R26 HydrophobicContact CE2-CG 4.42Å; Y11-R26 HydrophobicContact CG-CG 4.47Å; R26-E28 IonicContact CZ-OE1 3.1Å; R26-E28 IonicContact NE-OE1 3.69Å; R26-E28 PolarHBondContact NE-OE1 3.12Å; R26-E28 IonicContact NH2-OE1 2.68Å; R26-E28 PolarHBondContact NH2-OE1 3.19Å; R26-E28 IonicContact NH2-OE2 3.79Å; R26-E28 PolarHBondContact O-N 2.84Å; R26-V42 CarbonylContact O-C 3.6Å; R26-V42 WeakPolarHBondContact O-CA 3.49Å; R26-V42 WeakPolarHBondContact O-CB 3.34Å; R26-V43 HydrophobicContact CB-CB 4.28Å; R26-V43 PolarHBondContact N-O 3.33Å; R26-V43 PolarHBondContact O-N 3.1Å; R26-L45 HydrophobicContact CB-CD1 4.38Å
27I95.9Very high90Very high0 Ų053.7 Ų53.70%030%0.304CS..EExtended strand (participates in β ladder)trans-75.3118.9177.7-57.3176.1000109.2V8 G9 D10 V12 L30 V42 I102V8-I27 HydrophobicContact CG2-CG2 4.33Å; G9-I27 WeakPolarHBondContact CA-O 3.28Å; G9-I27 PolarHBondContact N-O 3.39Å; D10-I27 HydrophobicContact CB-CD1 4.48Å; D10-I27 PolarHBondContact O-N 3.11Å; V12-I27 HydrophobicContact CG1-CD1 3.91Å; V12-I27 HydrophobicContact CG1-CG1 4.4Å; V12-I27 HydrophobicContact CG2-CD1 4.09Å; V12-I27 HydrophobicContact CG2-CG1 3.84Å; I27-L30 HydrophobicContact CG2-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD2 3.83Å; I27-L30 HydrophobicContact CG2-CG 3.85Å; I27-V42 HydrophobicContact CG1-CG1 4.34Å; I27-I102 HydrophobicContact CD1-CD1 3.98Å
28E94.9Very high90.4Very high60 Ų6053.4 Ų53.428%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-99.8-36.2177.1-70.2-69.1150.200112.2V8 R26 K41 V43 F94V8-E28 WeakPolarHBondContact CG1-O 3.42Å; R26-E28 IonicContact CZ-OE1 3.1Å; R26-E28 IonicContact NE-OE1 3.69Å; R26-E28 PolarHBondContact NE-OE1 3.12Å; R26-E28 IonicContact NH2-OE1 2.68Å; R26-E28 PolarHBondContact NH2-OE1 3.19Å; R26-E28 IonicContact NH2-OE2 3.79Å; R26-E28 PolarHBondContact O-N 2.84Å; E28-K41 WeakPolarHBondContact CB-O 3.36Å; E28-K41 PolarHBondContact N-O 2.99Å; E28-V43 HydrophobicContact CG-CB 4.3Å; E28-V43 HydrophobicContact CG-CG2 3.52Å; E28-F94 HydrophobicContact CB-CE1 4.37Å; E28-F94 HydrophobicContact CG-CD1 4.17Å; E28-F94 HydrophobicContact CG-CE1 3.79Å
29E93.3Very high91.1Very high45 Ų4555.3 Ų55.321%0.2131%0.305CS..EExtended strand (participates in β ladder)trans-153.2143.6-178.5-167177.2-159.100109.5N31 A40 K41 K330E29-N31 PolarHBondContact OE1-OD1 3.08Å; E29-A40 WeakPolarHBondContact O-CA 3.38Å; E29-K41 HydrophobicContact CB-CB 4.02Å; E29-K41 HydrophobicContact CB-CD 4.45Å; E29-K41 PolarHBondContact N-O 3.25Å; E29-K41 PolarHBondContact O-N 2.83Å; E29-K330 WeakPolarHBondContact OE1-CD 3.32Å; E29-K330 WeakPolarHBondContact OE1-CE 3.3Å; E29-K330 IonicContact OE1-NZ 2.81Å; E29-K330 PolarHBondContact OE1-NZ 3.24Å
30L93.3Very high91.7Very high1 Ų152.4 Ų52.41%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-114.6120.8171.4-64.4167.5000108.4V8 I27 V38 E39 A40 L331 V334V8-L30 HydrophobicContact CG2-CD1 4.22Å; V8-L30 HydrophobicContact CG2-CG 4.15Å; I27-L30 HydrophobicContact CG2-CD1 4.48Å; I27-L30 HydrophobicContact CG2-CD2 3.83Å; I27-L30 HydrophobicContact CG2-CG 3.85Å; L30-V38 HydrophobicContact CB-CG1 4.42Å; L30-V38 HydrophobicContact CD2-CG1 4.41Å; L30-E39 WeakPolarHBondContact CA-O 3.3Å; L30-A40 HydrophobicContact CD2-CB 3.74Å; L30-L331 HydrophobicContact CB-CB 3.89Å; L30-V334 HydrophobicContact CD1-CB 4.17Å; L30-V334 HydrophobicContact CD1-CG1 3.88Å; L30-V334 HydrophobicContact CD2-CG1 4.02Å
31N90.6Very high92.1Very high53 Ų5353.8 Ų53.828%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-114.8127-175.4-69.6-50.1000110E29 V38 E39E29-N31 PolarHBondContact OE1-OD1 3.08Å; N31-V38 CarbonylContact O-C 3.51Å; N31-V38 WeakPolarHBondContact O-CA 3.41Å; N31-E39 PolarHBondContact N-O 3.48Å; N31-E39 PolarHBondContact O-N 3.25Å
32K89.4Confident92.3Very high142 Ų14253.1 Ų53.162%0.61728%0.284SS*.EExtended strand (participates in β ladder)trans-91.5118.2172.2-162.6175.2176.8-179.10108.9L331K32-L331 HydrophobicContact CB-CD1 3.71Å; K32-L331 HydrophobicContact CB-CG 4.41Å; K32-L331 HydrophobicContact CD-CD1 4.48Å; K32-L331 HydrophobicContact CG-CD1 4.35Å
33T86.4Confident92.4Very high44 Ų4451.3 Ų51.327%0.2728%0.278SS..  trans-69.3159.1172.262.40000110.7N35 G36 N37 E39T33-N35 PolarHBondContact O-N 3.28Å; T33-N35 VanDerWaalsContact O-N 3.11Å; T33-G36 PolarHBondContact O-N 3.5Å; T33-N37 PolarHBondContact N-O 2.97Å; T33-N37 WeakPolarHBondContact OG1-CB 3.37Å; T33-N37 PolarHBondContact OG1-N 2.88Å; T33-N37 PolarHBondContact OG1-O 3.08Å; T33-E39 HydrophobicContact CG2-CG 4.22Å
34A85.5Confident92.4Very high111 Ų11149 Ų4992%0.91727%0.266SS*.THydrogen-bonded Turntrans-55.4-29.6176.700000112.9G36A34-G36 PolarHBondContact O-N 2.95Å
35N86.8Confident92.4Very high145 Ų14549.4 Ų49.478%0.77527%0.268SS*.THydrogen-bonded Turntrans-78.1-0.1178.3-60.6-3000113.2T33 N37T33-N35 PolarHBondContact O-N 3.28Å; T33-N35 VanDerWaalsContact O-N 3.11Å; N35-N37 VanDerWaalsContact C-N 3.34Å; N35-N37 PolarHBondContact O-N 3.47Å
36G83.9Confident92.3Very high36 Ų3650.3 Ų50.337%0.37127%0.272SS..SBendtrans87.4-7.2-179.600000115.3T33 A34T33-G36 PolarHBondContact O-N 3.5Å; A34-G36 PolarHBondContact O-N 2.95Å
37N88.8Confident92.1Very high108 Ų10847.6 Ų47.658%0.57826%0.262SS*.  trans-71.1143.5175.6-62.1-35.7000110.8T33 N35T33-N37 PolarHBondContact N-O 2.97Å; T33-N37 WeakPolarHBondContact OG1-CB 3.37Å; T33-N37 PolarHBondContact OG1-N 2.88Å; T33-N37 PolarHBondContact OG1-O 3.08Å; N35-N37 VanDerWaalsContact C-N 3.34Å; N35-N37 PolarHBondContact O-N 3.47Å
38V92.4Very high91.8Very high31 Ų3149.3 Ų49.319%0.18827%0.269CS..EExtended strand (participates in β ladder)trans-102.7125.3177.7-174.80000110L30 N31 A99 L331 V334L30-V38 HydrophobicContact CB-CG1 4.42Å; L30-V38 HydrophobicContact CD2-CG1 4.41Å; N31-V38 CarbonylContact O-C 3.51Å; N31-V38 WeakPolarHBondContact O-CA 3.41Å; V38-A99 HydrophobicContact CB-CB 4.1Å; V38-A99 HydrophobicContact CG1-CB 4Å; V38-A99 WeakPolarHBondContact O-CB 3.37Å; V38-A99 PolarHBondContact O-N 3Å; V38-L331 HydrophobicContact CG1-CD1 3.96Å; V38-L331 HydrophobicContact CG2-CD1 3.85Å; V38-V334 HydrophobicContact CB-CG2 4.22Å; V38-V334 HydrophobicContact CG1-CB 4.37Å; V38-V334 HydrophobicContact CG1-CG2 4.05Å; V38-V334 HydrophobicContact CG2-CG2 4.15Å
39E93.6Very high91.5Very high76 Ų7654 Ų5436%0.35528%0.284SS..EExtended strand (participates in β ladder)trans-106.2141.3170.4-65.4-172.3-179.300109.9L30 N31 T33 S96L30-E39 WeakPolarHBondContact CA-O 3.3Å; N31-E39 PolarHBondContact N-O 3.48Å; N31-E39 PolarHBondContact O-N 3.25Å; T33-E39 HydrophobicContact CG2-CG 4.22Å; E39-S96 PolarHBondContact OE2-OG 3.38Å; E39-S96 VanDerWaalsContact OE2-OG 3.05Å
40A94.6Very high91.2Very high0 Ų055.4 Ų55.40%029%0.293CS..EExtended strand (participates in β ladder)trans-105.9120.3173.900000108.7F14 E29 L30 V42 L97F14-A40 HydrophobicContact CZ-CB 4.14Å; E29-A40 WeakPolarHBondContact O-CA 3.38Å; L30-A40 HydrophobicContact CD2-CB 3.74Å; A40-V42 HydrophobicContact CB-CG1 3.74Å; A40-L97 PolarHBondContact N-O 3.04Å; A40-L97 PolarHBondContact O-N 3.17Å
41K95.4Very high91Very high80 Ų8055.9 Ų55.935%0.34830%0.295SS..EExtended strand (participates in β ladder)trans-82.5121.1164.8-173.1-177.6179.5-177.70107.4E28 E29 F94 E95E28-K41 WeakPolarHBondContact CB-O 3.36Å; E28-K41 PolarHBondContact N-O 2.99Å; E29-K41 HydrophobicContact CB-CB 4.02Å; E29-K41 HydrophobicContact CB-CD 4.45Å; E29-K41 PolarHBondContact N-O 3.25Å; E29-K41 PolarHBondContact O-N 2.83Å; K41-F94 HydrophobicContact CG-CD1 4.39Å; K41-E95 WeakPolarHBondContact CA-O 3.46Å
42V96.1Very high90.9Very high0 Ų056.1 Ų56.10%030%0.301CS..EExtended strand (participates in β ladder)trans-133144.6-169.1-56.20000112.6F14 R25 R26 I27 A40 F94 E95F14-V42 HydrophobicContact CE2-CG1 3.81Å; F14-V42 HydrophobicContact CE2-CG2 4.44Å; F14-V42 HydrophobicContact CZ-CG1 3.73Å; F14-V42 HydrophobicContact CZ-CG2 4.45Å; R25-V42 HydrophobicContact CB-CB 3.89Å; R25-V42 HydrophobicContact CB-CG1 4.49Å; R25-V42 HydrophobicContact CB-CG2 3.83Å; R25-V42 HydrophobicContact CG-CB 4.5Å; R25-V42 HydrophobicContact CG-CG2 3.88Å; R26-V42 CarbonylContact O-C 3.6Å; R26-V42 WeakPolarHBondContact O-CA 3.49Å; R26-V42 WeakPolarHBondContact O-CB 3.34Å; I27-V42 HydrophobicContact CG1-CG1 4.34Å; A40-V42 HydrophobicContact CB-CG1 3.74Å; V42-F94 WeakPolarHBondContact O-CA 3.37Å; V42-E95 PolarHBondContact N-O 3.35Å; V42-E95 PolarHBondContact O-N 3.46Å
43V96.2Very high90.8Very high7 Ų751.8 Ų51.84%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-82.4137.9171.1163.70000110R25 R26 E28 L90 S91 F94R25-V43 VanDerWaalsContact CA-O 3.24Å; R25-V43 WeakPolarHBondContact CA-O 3.44Å; R25-V43 WeakPolarHBondContact CD-O 3.38Å; R26-V43 HydrophobicContact CB-CB 4.28Å; R26-V43 PolarHBondContact N-O 3.33Å; R26-V43 PolarHBondContact O-N 3.1Å; E28-V43 HydrophobicContact CG-CB 4.3Å; E28-V43 HydrophobicContact CG-CG2 3.52Å; V43-L90 HydrophobicContact CG1-CD1 3.77Å; V43-S91 WeakPolarHBondContact CG1-O 3.46Å; V43-F94 HydrophobicContact CG2-CD1 3.7Å; V43-F94 HydrophobicContact CG2-CE1 3.45Å; V43-F94 VanDerWaalsContact CG2-CE1 3.45Å; V43-F94 HydrophobicContact CG2-CG 4.46Å; V43-F94 HydrophobicContact CG2-CZ 3.98Å
44C94.9Very high90.9Very high1 Ų156.1 Ų56.11%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-83.4128.8-178.3-530000112.2R25 F46 S91 Q93R25-C44 PolarHBondContact NH1-SG 3.18Å; C44-F46 HydrophobicContact CB-CD2 4.18Å; C44-F46 HydrophobicContact CB-CE2 3.49Å; C44-F46 VanDerWaalsContact CB-CE2 3.49Å; C44-F46 HydrophobicContact CB-CZ 4.01Å; C44-S91 VanDerWaalsContact O-CB 3.29Å; C44-S91 WeakPolarHBondContact O-CB 3.37Å; C44-S91 PolarHBondContact O-N 3.3Å; C44-Q93 PolarHBondContact N-O 3.45Å; C44-Q93 VanDerWaalsContact N-O 3.09Å; C44-Q93 PolarHBondContact SG-O 3.21Å
45L95.5Very high91.1Very high8 Ų851.7 Ų51.74%0.04228%0.279CS..EExtended strand (participates in β ladder)trans-111128.7164.1-67.188.2000108.8Y11 I24 R26 L88 F89 L90 V108Y11-L45 HydrophobicContact CD1-CD1 4.09Å; Y11-L45 HydrophobicContact CD1-CD2 4.3Å; Y11-L45 HydrophobicContact CE1-CD1 4.08Å; Y11-L45 HydrophobicContact CE1-CD2 4.05Å; I24-L45 HydrophobicContact CB-CB 4.41Å; I24-L45 HydrophobicContact CG2-CB 4.27Å; I24-L45 HydrophobicContact CG2-CD1 4.48Å; I24-L45 HydrophobicContact CG2-CD2 4.43Å; I24-L45 WeakPolarHBondContact O-CB 3.4Å; I24-L45 PolarHBondContact O-N 3.38Å; I24-L45 VanDerWaalsContact O-N 3.15Å; R26-L45 HydrophobicContact CB-CD1 4.38Å; L45-L88 HydrophobicContact CB-CB 4.33Å; L45-L88 HydrophobicContact CB-CD1 4.16Å; L45-L88 HydrophobicContact CD2-CB 4.19Å; L45-L88 HydrophobicContact CD2-CD1 3.76Å; L45-F89 WeakPolarHBondContact CA-O 3.41Å; L45-L90 HydrophobicContact CG-CD1 4.33Å; L45-V108 HydrophobicContact CD2-CB 4.37Å; L45-V108 HydrophobicContact CD2-CG1 3.71Å; L45-V108 HydrophobicContact CD2-CG2 4.26Å
46F94.3Very high91.3Very high34 Ų3446.4 Ų46.415%0.14925%0.25CS..EExtended strand (participates in β ladder)trans-102.3145.8-174.3-70.6-95.6000110.8C44 D50 I51 L88 F89 S91 F133 P135C44-F46 HydrophobicContact CB-CD2 4.18Å; C44-F46 HydrophobicContact CB-CE2 3.49Å; C44-F46 VanDerWaalsContact CB-CE2 3.49Å; C44-F46 HydrophobicContact CB-CZ 4.01Å; F46-D50 HydrophobicContact CB-CB 4.27Å; F46-D50 HydrophobicContact CD1-CB 3.74Å; F46-I51 HydrophobicContact CB-CG2 4.44Å; F46-L88 CarbonylContact O-C 3.55Å; F46-L88 WeakPolarHBondContact O-CA 3.39Å; F46-F89 HydrophobicContact CB-CB 4.36Å; F46-F89 PolarHBondContact N-O 2.52Å; F46-F89 WeakPolarHBondContact O-CD2 3.33Å; F46-F89 PolarHBondContact O-N 2.74Å; F46-S91 VanDerWaalsContact CE2-CB 3.43Å; F46-F133 HydrophobicContact CB-CD1 4.2Å; F46-F133 HydrophobicContact CD1-CD1 4.32Å; F46-F133 HydrophobicContact CD1-CE1 4.18Å; F46-F133 AromaticContact CD2-CD1 3.76Å; F46-F133 HydrophobicContact CD2-CD1 3.76Å; F46-F133 HydrophobicContact CD2-CE1 4.33Å; F46-F133 HydrophobicContact CE1-CE1 4.36Å; F46-F133 HydrophobicContact CE2-CD1 4.17Å; F46-F133 HydrophobicContact CE2-CE1 4.49Å; F46-F133 AromaticContact CG-CD1 3.83Å; F46-F133 HydrophobicContact CG-CD1 3.83Å; F46-F133 HydrophobicContact CG-CE1 4.16Å; F46-P135 HydrophobicContact CZ-CB 4.3Å
47R93.1Very high91.5Very high17 Ų1749 Ų496%0.06426%0.259CS..  trans-92166.9170.7-64.7-169.8178.5113.7-3.7110.8Y22 R49 D50 L88 K401 Y402Y22-R47 PolarHBondContact O-NH1 3.19Å; Y22-R47 PolarHBondContact O-NH2 2.98Å; R47-R49 HydrophobicContact CB-CG 4.01Å; R47-R49 PolarHBondContact O-N 3.45Å; R47-R49 VanDerWaalsContact O-N 3.11Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact N-OD2 3.32Å; R47-D50 WeakPolarHBondContact O-CB 3.37Å; R47-D50 PolarHBondContact O-N 3.11Å; R47-L88 HydrophobicContact CG-CD2 3.86Å; R47-K401 PolarHBondContact NH2-O 3.07Å; R47-Y402 PolarHBondContact NE-O 3.35Å
48R89.8Confident91.5Very high36 Ų3647.9 Ų47.914%0.13625%0.253CS..G310 helixtrans-49.7-35171.1-73179.2164.6-124.60.4114.5D50 I51 N56 D60 K84 E87 F89R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 2.87Å; R48-I51 VanDerWaalsContact O-CG1 3.29Å; R48-I51 WeakPolarHBondContact O-CG1 3.37Å; R48-N56 WeakPolarHBondContact CA-OD1 3.37Å; R48-N56 WeakPolarHBondContact CB-OD1 3.31Å; R48-N56 PolarHBondContact O-ND2 3.36Å; R48-N56 PolarHBondContact O-OD1 2.73Å; R48-D60 IonicContact CZ-OD1 2.8Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 3.26Å; R48-D60 PolarHBondContact NH1-OD1 3.29Å; R48-D60 IonicContact NH1-OD2 3.98Å; R48-D60 IonicContact NH2-OD1 3.49Å; R48-D60 PolarHBondContact NH2-OD1 2.89Å; R48-K84 WeakPolarHBondContact CD-O 3.5Å; R48-E87 IonicContact CZ-OE2 2.68Å; R48-E87 IonicContact NE-OE2 2.99Å; R48-E87 PolarHBondContact NE-OE2 3.22Å; R48-E87 IonicContact NH2-OE2 3.87Å; R48-E87 PolarHBondContact NH2-OE2 3.42Å; R48-F89 HydrophobicContact CG-CE2 3.86Å; R48-F89 HydrophobicContact CG-CZ 4.17Å
49R87.1Confident91.3Very high160 Ų16046.4 Ų46.460%0.60424%0.244SC*.G310 helixtrans-72.3-19.5177.360.1167.649-154-11.3114.5R47 G403R47-R49 HydrophobicContact CB-CG 4.01Å; R47-R49 PolarHBondContact O-N 3.45Å; R47-R49 VanDerWaalsContact O-N 3.11Å; R49-G403 VanDerWaalsContact CZ-O 3.26Å; R49-G403 PolarHBondContact NH2-O 3.11Å; R49-G403 VanDerWaalsContact NH2-O 3.11Å
50D88.4Confident91.2Very high73 Ų7345 Ų4539%0.3924%0.239SC..G310 helixtrans-91.1-13.9-176.9-51.3-43.5000111.6F46 R47 R48F46-D50 HydrophobicContact CB-CB 4.27Å; F46-D50 HydrophobicContact CD1-CB 3.74Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact N-OD2 3.32Å; R47-D50 WeakPolarHBondContact O-CB 3.37Å; R47-D50 PolarHBondContact O-N 3.11Å; R48-D50 VanDerWaalsContact C-N 3.28Å; R48-D50 PolarHBondContact O-N 2.87Å
51I88.9Confident90.9Very high11 Ų1147.5 Ų47.56%0.05626%0.256CS..SBendtrans-102.9157.7175.963165.7000111.6F46 R48 L55 N56 F89 F133 L140F46-I51 HydrophobicContact CB-CG2 4.44Å; R48-I51 VanDerWaalsContact O-CG1 3.29Å; R48-I51 WeakPolarHBondContact O-CG1 3.37Å; I51-L55 HydrophobicContact CB-CB 4.35Å; I51-L55 HydrophobicContact CB-CD1 4.37Å; I51-L55 HydrophobicContact CD1-CB 3.98Å; I51-L55 HydrophobicContact CG1-CB 4.5Å; I51-N56 WeakPolarHBondContact CD1-OD1 3.26Å; I51-N56 WeakPolarHBondContact CG1-OD1 3.42Å; I51-F89 HydrophobicContact CD1-CD2 3.79Å; I51-F89 HydrophobicContact CD1-CE1 4.39Å; I51-F89 HydrophobicContact CD1-CE2 3.3Å; I51-F89 HydrophobicContact CD1-CZ 3.65Å; I51-F89 HydrophobicContact CG1-CD2 4.38Å; I51-F89 HydrophobicContact CG1-CE2 4.08Å; I51-F89 HydrophobicContact CG2-CD2 4.24Å; I51-F133 HydrophobicContact CG2-CD1 3.88Å; I51-F133 HydrophobicContact CG2-CD2 3.93Å; I51-F133 HydrophobicContact CG2-CE1 3.8Å; I51-F133 HydrophobicContact CG2-CE2 3.87Å; I51-F133 HydrophobicContact CG2-CG 3.95Å; I51-F133 HydrophobicContact CG2-CZ 3.8Å; I51-L140 HydrophobicContact CD1-CD1 4.1Å
52S88.6Confident90.5Very high58 Ų5845.7 Ų45.741%0.40625%0.25SS..  trans-70.1156.4-176.876.30000112.9N54 L55 N56S52-N54 VanDerWaalsContact C-N 3.28Å; S52-N54 PolarHBondContact O-N 2.88Å; S52-L55 WeakPolarHBondContact O-CB 3.43Å; S52-L55 PolarHBondContact O-N 3.47Å; S52-L55 WeakPolarHBondContact OG-CG 3.23Å; S52-N56 PolarHBondContact O-N 3.1Å
53G86.8Confident90Very high51 Ų5147 Ų4753%0.52626%0.262SS..Hα-helixtrans-54.4-38.2179.900000114.6L55 N56 T57G53-L55 VanDerWaalsContact C-N 3.28Å; G53-L55 PolarHBondContact O-N 2.9Å; G53-N56 WeakPolarHBondContact O-CB 3.39Å; G53-N56 PolarHBondContact O-N 2.94Å; G53-T57 PolarHBondContact O-N 3.03Å; G53-T57 VanDerWaalsContact O-N 3.11Å
54N87.7Confident89.5Confident136 Ų13654.8 Ų54.873%0.72729%0.29SS*.Hα-helixtrans-66.3-29.9177.1-64.1-2.4000112.8S52 T57 L58S52-N54 VanDerWaalsContact C-N 3.28Å; S52-N54 PolarHBondContact O-N 2.88Å; N54-T57 VanDerWaalsContact C-OG1 3.31Å; N54-T57 WeakPolarHBondContact CA-OG1 3.42Å; N54-T57 PolarHBondContact O-OG1 3.49Å; N54-L58 PolarHBondContact O-N 3.41Å
55L89.6Confident89.1Confident17 Ų1759.3 Ų59.39%0.08931%0.311CS..Hα-helixtrans-78.9-33.5176.1-65.2178.7000110.9I51 S52 G53 T57 L58 A59 F133 K138 L140I51-L55 HydrophobicContact CB-CB 4.35Å; I51-L55 HydrophobicContact CB-CD1 4.37Å; I51-L55 HydrophobicContact CD1-CB 3.98Å; I51-L55 HydrophobicContact CG1-CB 4.5Å; S52-L55 WeakPolarHBondContact O-CB 3.43Å; S52-L55 PolarHBondContact O-N 3.47Å; S52-L55 WeakPolarHBondContact OG-CG 3.23Å; G53-L55 VanDerWaalsContact C-N 3.28Å; G53-L55 PolarHBondContact O-N 2.9Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 2.79Å; L55-L58 PolarHBondContact O-N 2.91Å; L55-L58 VanDerWaalsContact O-N 3.17Å; L55-A59 PolarHBondContact O-N 2.87Å; L55-F133 HydrophobicContact CD1-CD2 4.11Å; L55-F133 HydrophobicContact CD1-CE2 3.56Å; L55-K138 WeakPolarHBondContact CD1-O 3.32Å; L55-L140 HydrophobicContact CB-CD1 3.72Å; L55-L140 HydrophobicContact CB-CG 4.24Å; L55-L140 HydrophobicContact CD1-CG 4.5Å; L55-L140 HydrophobicContact CD2-CB 4.48Å; L55-L140 HydrophobicContact CD2-CD1 4.3Å; L55-L140 HydrophobicContact CD2-CG 4.15Å; L55-L140 HydrophobicContact CG-CD1 4.48Å; L55-L140 VanDerWaalsContact O-CD1 3.32Å; L55-L140 WeakPolarHBondContact O-CD1 3.44Å
56N90.7Very high88.5Confident34 Ų3460.2 Ų60.218%0.18232%0.315CS..Hα-helixtrans-61.4-38.7171.2-78.5-41.8000112.1R48 I51 S52 G53 L58 A59 D60R48-N56 WeakPolarHBondContact CA-OD1 3.37Å; R48-N56 WeakPolarHBondContact CB-OD1 3.31Å; R48-N56 PolarHBondContact O-ND2 3.36Å; R48-N56 PolarHBondContact O-OD1 2.73Å; I51-N56 WeakPolarHBondContact CD1-OD1 3.26Å; I51-N56 WeakPolarHBondContact CG1-OD1 3.42Å; S52-N56 PolarHBondContact O-N 3.1Å; G53-N56 WeakPolarHBondContact O-CB 3.39Å; G53-N56 PolarHBondContact O-N 2.94Å; N56-L58 VanDerWaalsContact C-N 3.3Å; N56-L58 PolarHBondContact O-N 3.45Å; N56-A59 PolarHBondContact O-N 3.09Å; N56-D60 WeakPolarHBondContact O-CB 3.36Å; N56-D60 PolarHBondContact O-N 3.35Å
57T89.5Confident88.1Confident90 Ų9061.3 Ų61.355%0.55232%0.321SS*.Hα-helixtrans-65.8-33.6174.948.50000112.7G53 N54 L55 S61G53-T57 PolarHBondContact O-N 3.03Å; G53-T57 VanDerWaalsContact O-N 3.11Å; N54-T57 VanDerWaalsContact C-OG1 3.31Å; N54-T57 WeakPolarHBondContact CA-OG1 3.42Å; N54-T57 PolarHBondContact O-OG1 3.49Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 2.79Å; T57-S61 PolarHBondContact O-N 3.4Å; T57-S61 VanDerWaalsContact O-N 3.07Å
58L88.1Confident87.6Confident85 Ų8567.9 Ų67.945%0.44535%0.352SS..Hα-helixtrans-70.5-44.3175.7-179.460.4000111.4N54 L55 N56 D60 S61 N62 L140N54-L58 PolarHBondContact O-N 3.41Å; L55-L58 PolarHBondContact O-N 2.91Å; L55-L58 VanDerWaalsContact O-N 3.17Å; N56-L58 VanDerWaalsContact C-N 3.3Å; N56-L58 PolarHBondContact O-N 3.45Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.12Å; L58-S61 WeakPolarHBondContact O-CB 3.38Å; L58-S61 PolarHBondContact O-N 2.82Å; L58-S61 VanDerWaalsContact O-N 3.11Å; L58-N62 PolarHBondContact O-N 3.48Å; L58-L140 HydrophobicContact CD2-CB 4.09Å
59A88.9Confident87.2Confident0 Ų073.8 Ų73.80%038%0.381CS..Hα-helixtrans-59.7-40.4173.400000111.7L55 N56 S61 N62 A63 F89 L131 L140L55-A59 PolarHBondContact O-N 2.87Å; N56-A59 PolarHBondContact O-N 3.09Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 3.3Å; A59-N62 PolarHBondContact O-N 2.92Å; A59-A63 WeakPolarHBondContact O-CB 3.32Å; A59-A63 PolarHBondContact O-N 3.37Å; A59-F89 HydrophobicContact CB-CE1 3.85Å; A59-F89 HydrophobicContact CB-CZ 3.72Å; A59-L131 HydrophobicContact CB-CD1 4.14Å; A59-L140 HydrophobicContact CB-CD1 4.25Å
60D90.3Very high86.7Confident48 Ų4867.8 Ų67.826%0.25736%0.363SS..Hα-helixtrans-64-34.3174.1-77.8-25.7000113R48 N56 L58 R64 K84R48-D60 IonicContact CZ-OD1 2.8Å; R48-D60 VanDerWaalsContact CZ-OD1 3.28Å; R48-D60 IonicContact NH1-OD1 3.26Å; R48-D60 PolarHBondContact NH1-OD1 3.29Å; R48-D60 IonicContact NH1-OD2 3.98Å; R48-D60 IonicContact NH2-OD1 3.49Å; R48-D60 PolarHBondContact NH2-OD1 2.89Å; N56-D60 WeakPolarHBondContact O-CB 3.36Å; N56-D60 PolarHBondContact O-N 3.35Å; L58-D60 VanDerWaalsContact C-N 3.29Å; L58-D60 PolarHBondContact O-N 3.12Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 2.94Å; D60-K84 IonicContact OD1-NZ 2.72Å
61S88.3Confident86.3Confident52 Ų5273.3 Ų73.336%0.36438%0.384SS..Hα-helixtrans-66.7-49.2174.3-161.70000110.9T57 L58 A59 A63 R64 E65T57-S61 PolarHBondContact O-N 3.4Å; T57-S61 VanDerWaalsContact O-N 3.07Å; L58-S61 WeakPolarHBondContact O-CB 3.38Å; L58-S61 PolarHBondContact O-N 2.82Å; L58-S61 VanDerWaalsContact O-N 3.11Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 3.3Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 2.98Å; S61-R64 WeakPolarHBondContact O-CB 3.35Å; S61-R64 PolarHBondContact O-N 2.95Å; S61-R64 VanDerWaalsContact O-N 3.1Å; S61-E65 PolarHBondContact O-N 3.41Å
62N87.3Confident86Confident41 Ų4174.4 Ų74.422%0.21939%0.389CS..Hα-helixtrans-63.4-38.1-179.9-177.9-111.6000112.4L58 A59 R64 E65 F66 L131L58-N62 PolarHBondContact O-N 3.48Å; A59-N62 PolarHBondContact O-N 2.92Å; N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 3.36Å; N62-E65 PolarHBondContact O-N 2.9Å; N62-F66 WeakPolarHBondContact O-CB 3.36Å; N62-F66 PolarHBondContact O-N 2.55Å; N62-L131 HydrophobicContact CB-CD1 4.31Å
63A86.9Confident85.7Confident29 Ų2975.1 Ų75.124%0.2439%0.392CS..Hα-helixtrans-63.7-34.5174.700000112.5A59 S61 E67A59-A63 WeakPolarHBondContact O-CB 3.32Å; A59-A63 PolarHBondContact O-N 3.37Å; S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 PolarHBondContact O-N 2.98Å; A63-E67 WeakPolarHBondContact O-CG 3.41Å; A63-E67 PolarHBondContact O-N 3.35Å
64R85.6Confident85.5Confident169 Ų16978 Ų7864%0.63841%0.411SS*.Hα-helixtrans-71.4-44.5175.7-72.8171.4-179.1-161.5-3.5112D60 S61 N62 F66 E67 E68D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 2.94Å; S61-R64 WeakPolarHBondContact O-CB 3.35Å; S61-R64 PolarHBondContact O-N 2.95Å; S61-R64 VanDerWaalsContact O-N 3.1Å; N62-R64 VanDerWaalsContact C-N 3.29Å; N62-R64 PolarHBondContact O-N 3.36Å; R64-F66 VanDerWaalsContact C-N 3.27Å; R64-F66 PolarHBondContact O-N 3.04Å; R64-E67 PolarHBondContact O-N 3.31Å; R64-E67 VanDerWaalsContact O-N 3.17Å; R64-E68 WeakPolarHBondContact O-CG 3.35Å; R64-E68 PolarHBondContact O-N 3.27Å
65E84.9Confident85.3Confident96 Ų9672.8 Ų72.845%0.44938%0.383SS..Hα-helixtrans-55.2-45.9174.2-72.4163.7-170.700110.3S61 N62 E68 E69S61-E65 PolarHBondContact O-N 3.41Å; N62-E65 PolarHBondContact O-N 2.9Å; E65-E68 PolarHBondContact O-N 3.05Å; E65-E69 WeakPolarHBondContact O-CB 3.33Å; E65-E69 WeakPolarHBondContact O-CG 3.42Å; E65-E69 PolarHBondContact O-N 3.41Å
66F84.4Confident85.2Confident28 Ų2874.7 Ų74.712%0.12340%0.398CS..Hα-helixtrans-62.7-43.7175.4-179.3-90.5000113.5N62 R64 E68 S70 Q72 L111 N112 L117N62-F66 WeakPolarHBondContact O-CB 3.36Å; N62-F66 PolarHBondContact O-N 2.55Å; R64-F66 VanDerWaalsContact C-N 3.27Å; R64-F66 PolarHBondContact O-N 3.04Å; F66-E68 VanDerWaalsContact C-N 3.28Å; F66-E68 PolarHBondContact O-N 3.03Å; F66-S70 WeakPolarHBondContact CE2-OG 3.31Å; F66-S70 WeakPolarHBondContact O-CB 3.31Å; F66-S70 PolarHBondContact O-N 3.41Å; F66-S70 PolarHBondContact O-OG 2.99Å; F66-Q72 HydrophobicContact CE1-CG 4.27Å; F66-L111 HydrophobicContact CD1-CD2 4.07Å; F66-L111 HydrophobicContact CD2-CD2 4.19Å; F66-L111 HydrophobicContact CE1-CD1 4.31Å; F66-L111 HydrophobicContact CE1-CD2 3.84Å; F66-L111 HydrophobicContact CE1-CG 4.26Å; F66-L111 HydrophobicContact CE2-CD2 3.93Å; F66-L111 HydrophobicContact CE2-CG 4Å; F66-L111 HydrophobicContact CG-CD2 4.24Å; F66-L111 HydrophobicContact CZ-CD1 4Å; F66-L111 HydrophobicContact CZ-CD2 3.78Å; F66-L111 HydrophobicContact CZ-CG 3.77Å; F66-N112 WeakPolarHBondContact CZ-O 3.39Å; F66-L117 HydrophobicContact CE1-CD1 4.45Å; F66-L117 HydrophobicContact CE1-CD2 4.41Å; F66-L117 HydrophobicContact CE1-CG 4.3Å
67E84.6Confident84.9Confident57 Ų5781.5 Ų81.527%0.26643%0.429SS..Hα-helixtrans-59-39.6176.4-80.9-177.8-165.100111.5A63 R64 Q72 K80 L117A63-E67 WeakPolarHBondContact O-CG 3.41Å; A63-E67 PolarHBondContact O-N 3.35Å; R64-E67 PolarHBondContact O-N 3.31Å; R64-E67 VanDerWaalsContact O-N 3.17Å; E67-Q72 PolarHBondContact O-N 2.9Å; E67-K80 IonicContact OE1-NZ 3.09Å; E67-K80 IonicContact OE2-NZ 2.66Å; E67-K80 PolarHBondContact OE2-NZ 3.48Å; E67-L117 HydrophobicContact CG-CD1 4.3Å
68E82.9Confident84.7Confident154 Ų15482 Ų8272%0.7243%0.425SS*.Hα-helixtrans-73.6-49.4179.9-72.3178.6-172.900112.6R64 E65 F66R64-E68 WeakPolarHBondContact O-CG 3.35Å; R64-E68 PolarHBondContact O-N 3.27Å; E65-E68 PolarHBondContact O-N 3.05Å; F66-E68 VanDerWaalsContact C-N 3.28Å; F66-E68 PolarHBondContact O-N 3.03Å
69E81.3Confident84.6Confident160 Ų16081.4 Ų81.475%0.74842%0.42SS*.Hα-helixtrans-66.8-40.5-178.2-72.6-179.5168.900112.2E65 K71E65-E69 WeakPolarHBondContact O-CB 3.33Å; E65-E69 WeakPolarHBondContact O-CG 3.42Å; E65-E69 PolarHBondContact O-N 3.41Å; E69-K71 VanDerWaalsContact C-N 3.33Å; E69-K71 PolarHBondContact O-N 3.44Å
70S76.7Confident84.4Confident34 Ų3485.3 Ų85.324%0.23844%0.437CS..THydrogen-bonded Turntrans-87.72.2-173.8-48.20000113.8F66 Q72 E113F66-S70 WeakPolarHBondContact CE2-OG 3.31Å; F66-S70 WeakPolarHBondContact O-CB 3.31Å; F66-S70 PolarHBondContact O-N 3.41Å; F66-S70 PolarHBondContact O-OG 2.99Å; S70-Q72 VanDerWaalsContact C-N 3.34Å; S70-Q72 PolarHBondContact O-N 3.39Å; S70-E113 PolarHBondContact OG-O 3.2Å
71K80.9Confident84.3Confident189 Ų18984.4 Ų84.482%0.82243%0.431SS*.THydrogen-bonded Turntrans49.948.7-178.8-59.3-180-178.4175.90113.2E69E69-K71 VanDerWaalsContact C-N 3.33Å; E69-K71 PolarHBondContact O-N 3.44Å
72Q81.3Confident84.3Confident34 Ų3483.6 Ų83.616%0.15942%0.421CS..PPolyproline II helixtrans-63.5147.8-176.8-69.5-71.9-37.600112.3F66 E67 S70 D115 L117F66-Q72 HydrophobicContact CE1-CG 4.27Å; E67-Q72 PolarHBondContact O-N 2.9Å; S70-Q72 VanDerWaalsContact C-N 3.34Å; S70-Q72 PolarHBondContact O-N 3.39Å; Q72-D115 PolarHBondContact NE2-O 3.21Å; Q72-L117 HydrophobicContact CG-CD1 4.42Å; Q72-L117 VanDerWaalsContact OE1-N 3.12Å
73P82.9Confident84.4Confident74 Ų7482.2 Ų82.248%0.48141%0.414SS..PPolyproline II helixtrans-64.3151.5174.526.9-33.5000111.6L75 V116P73-L75 PolarHBondContact O-N 3.08Å; P73-V116 HydrophobicContact CG-CG1 4.16Å
74A81.9Confident84.5Confident111 Ų11185 Ų8592%0.91742%0.42SS*.PPolyproline II helixtrans-64.7120.5178.700000111.2
75L84.7Confident84.7Confident26 Ų2678.4 Ų78.414%0.13640%0.397CS..PPolyproline II helixtrans-103.1142.4178-61.6176.3000110.9P73 Q79 K80 L83 L117 A118P73-L75 PolarHBondContact O-N 3.08Å; L75-Q79 HydrophobicContact CB-CB 4.26Å; L75-K80 HydrophobicContact CB-CG 3.92Å; L75-L83 HydrophobicContact CD1-CD1 3.34Å; L75-L117 HydrophobicContact CD1-CB 4.29Å; L75-A118 HydrophobicContact CD2-CB 4.13Å
76S86.6Confident85.1Confident58 Ų5874.4 Ų74.441%0.40638%0.378SS..PPolyproline II helixtrans-65.2155.7173.665.20000111.7Q78 Q79 K80S76-Q78 PolarHBondContact O-N 3.17Å; S76-Q79 WeakPolarHBondContact O-CB 3.42Å; S76-Q79 PolarHBondContact O-N 2.91Å; S76-Q79 WeakPolarHBondContact OG-CB 3.47Å; S76-Q79 VanDerWaalsContact OG-CG 3.25Å; S76-Q79 WeakPolarHBondContact OG-CG 3.19Å; S76-Q79 PolarHBondContact OG-N 3.33Å; S76-Q79 PolarHBondContact OG-OE1 2.95Å; S76-K80 PolarHBondContact O-N 3.21Å
77E84.7Confident85.5Confident176 Ų17673.5 Ų73.582%0.82237%0.374SS*.Hα-helixtrans-56.7-35.3177.8-69.8-164.7146.700112.5K80 H81E77-K80 PolarHBondContact O-N 2.83Å; E77-H81 WeakPolarHBondContact O-CB 3.44Å; E77-H81 PolarHBondContact O-N 3.13Å
78Q84.7Confident86Confident101 Ų10170.8 Ų70.847%0.47236%0.361SS..Hα-helixtrans-65.9-41.2175.9-170.7179.811.700111.9S76 H81 Q82S76-Q78 PolarHBondContact O-N 3.17Å; Q78-H81 PolarHBondContact O-N 3.13Å; Q78-Q82 WeakPolarHBondContact O-CG 3.23Å; Q78-Q82 PolarHBondContact O-N 3.48Å
79Q86.4Confident86.6Confident73 Ų7363.4 Ų63.434%0.34133%0.327SS..Hα-helixtrans-67.2-42.3176-74.3169-47.600111.4L75 S76 H81 Q82 L83 L121L75-Q79 HydrophobicContact CB-CB 4.26Å; S76-Q79 WeakPolarHBondContact O-CB 3.42Å; S76-Q79 PolarHBondContact O-N 2.91Å; S76-Q79 WeakPolarHBondContact OG-CB 3.47Å; S76-Q79 VanDerWaalsContact OG-CG 3.25Å; S76-Q79 WeakPolarHBondContact OG-CG 3.19Å; S76-Q79 PolarHBondContact OG-N 3.33Å; S76-Q79 PolarHBondContact OG-OE1 2.95Å; Q79-H81 VanDerWaalsContact C-N 3.34Å; Q79-H81 PolarHBondContact O-N 3.04Å; Q79-Q82 PolarHBondContact O-N 3.27Å; Q79-Q82 VanDerWaalsContact O-N 3.16Å; Q79-L83 WeakPolarHBondContact O-CG 3.33Å; Q79-L83 PolarHBondContact O-N 3.47Å; Q79-L121 HydrophobicContact CB-CD1 3.68Å; Q79-L121 HydrophobicContact CG-CD1 3.76Å
80K86.2Confident87.2Confident81 Ų8156.9 Ų56.935%0.35230%0.297SS..Hα-helixtrans-60.1-43174.3-67.5-165.1179.7-142.30111.6E67 L75 S76 E77 Q82 L83 K84E67-K80 IonicContact OE1-NZ 3.09Å; E67-K80 IonicContact OE2-NZ 2.66Å; E67-K80 PolarHBondContact OE2-NZ 3.48Å; L75-K80 HydrophobicContact CB-CG 3.92Å; S76-K80 PolarHBondContact O-N 3.21Å; E77-K80 PolarHBondContact O-N 2.83Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; K80-Q82 PolarHBondContact O-N 3.47Å; K80-L83 PolarHBondContact O-N 3.42Å; K80-K84 WeakPolarHBondContact O-CG 3.33Å; K80-K84 PolarHBondContact O-N 2.8Å
81H87.4Confident87.9Confident30 Ų3055.3 Ų55.314%0.13929%0.286CS..Hα-helixtrans-59.5-43.8173.6176.973000112.1E77 Q78 Q79 K84 H85 L405E77-H81 WeakPolarHBondContact O-CB 3.44Å; E77-H81 PolarHBondContact O-N 3.13Å; Q78-H81 PolarHBondContact O-N 3.13Å; Q79-H81 VanDerWaalsContact C-N 3.34Å; Q79-H81 PolarHBondContact O-N 3.04Å; H81-K84 PolarHBondContact O-N 2.57Å; H81-H85 AromaticContact CD2-NE2 3.52Å; H81-H85 AromaticContact CE1-CE1 3.76Å; H81-H85 AromaticContact CE1-NE2 3.4Å; H81-H85 PolarHBondContact CE1-NE2 3.5Å; H81-H85 AromaticContact CG-NE2 3.98Å; H81-H85 AromaticContact ND1-NE2 3.91Å; H81-H85 AromaticContact NE2-CE1 3.88Å; H81-H85 AromaticContact NE2-NE2 3.12Å; H81-H85 PolarHBondContact NE2-NE2 3.47Å; H81-H85 VanDerWaalsContact NE2-NE2 3.12Å; H81-H85 PolarHBondContact O-CD2 3.18Å; H81-H85 VanDerWaalsContact O-CD2 3.29Å; H81-H85 PolarHBondContact O-NE2 3.25Å; H81-L405 PolarHBondContact NE2-O 3.42Å; H81-L405 VanDerWaalsContact NE2-O 3.11Å
82Q87.8Confident88.2Confident35 Ų3556 Ų5616%0.16428%0.283CS..Hα-helixtrans-68.8-35.9179.5-70.9179.323.500113.2Q78 Q79 K80 K84 H85 L121 K406Q78-Q82 WeakPolarHBondContact O-CG 3.23Å; Q78-Q82 PolarHBondContact O-N 3.48Å; Q79-Q82 PolarHBondContact O-N 3.27Å; Q79-Q82 VanDerWaalsContact O-N 3.16Å; K80-Q82 VanDerWaalsContact C-N 3.34Å; K80-Q82 PolarHBondContact O-N 3.47Å; Q82-K84 VanDerWaalsContact C-N 3.31Å; Q82-K84 PolarHBondContact O-N 3.14Å; Q82-H85 PolarHBondContact O-N 2.94Å; Q82-H85 VanDerWaalsContact O-N 3.13Å; Q82-L121 HydrophobicContact CB-CD2 3.82Å; Q82-K406 PolarHBondContact NE2-O 2.7Å
83L89.4Confident88.6Confident11 Ų1157.6 Ų57.66%0.05829%0.291CS..Hα-helixtrans-62.6-37175.6-78.7172.6000112.6L75 Q79 K80 H85 R86 E87 L117 L121 F128L75-L83 HydrophobicContact CD1-CD1 3.34Å; Q79-L83 WeakPolarHBondContact O-CG 3.33Å; Q79-L83 PolarHBondContact O-N 3.47Å; K80-L83 PolarHBondContact O-N 3.42Å; L83-H85 PolarHBondContact O-N 3.43Å; L83-H85 VanDerWaalsContact O-N 3.14Å; L83-R86 WeakPolarHBondContact O-CA 3.33Å; L83-R86 PolarHBondContact O-N 2.78Å; L83-E87 PolarHBondContact O-N 2.69Å; L83-E87 VanDerWaalsContact O-N 3.07Å; L83-L117 HydrophobicContact CD1-CB 3.9Å; L83-L117 HydrophobicContact CD1-CD1 4.49Å; L83-L117 HydrophobicContact CD2-CB 4.45Å; L83-L117 WeakPolarHBondContact CD2-O 3.49Å; L83-L121 HydrophobicContact CD2-CD1 4.36Å; L83-L121 HydrophobicContact CD2-CD2 3.85Å; L83-L121 HydrophobicContact CD2-CG 3.79Å; L83-L121 HydrophobicContact CG-CD1 4.09Å; L83-L121 HydrophobicContact CG-CD2 3.97Å; L83-L121 HydrophobicContact CG-CG 4.02Å; L83-F128 HydrophobicContact CD2-CE1 4.26Å
84K89Confident89.1Confident87 Ų8759 Ų5938%0.37829%0.289SS..Hα-helixtrans-58.3-27.3174.5-69.5-178.1178.3-165.90113.2R48 D60 K80 H81 Q82 R86R48-K84 WeakPolarHBondContact CD-O 3.5Å; D60-K84 IonicContact OD1-NZ 2.72Å; K80-K84 WeakPolarHBondContact O-CG 3.33Å; K80-K84 PolarHBondContact O-N 2.8Å; H81-K84 PolarHBondContact O-N 2.57Å; Q82-K84 VanDerWaalsContact C-N 3.31Å; Q82-K84 PolarHBondContact O-N 3.14Å; K84-R86 VanDerWaalsContact C-N 3.34Å
85H90.3Very high89.7Confident31 Ų3156.7 Ų56.714%0.14426%0.26CS..THydrogen-bonded Turntrans-81.7-15.7175.3-52.7-51000113.3H81 Q82 L83H81-H85 AromaticContact CD2-NE2 3.52Å; H81-H85 AromaticContact CE1-CE1 3.76Å; H81-H85 AromaticContact CE1-NE2 3.4Å; H81-H85 PolarHBondContact CE1-NE2 3.5Å; H81-H85 AromaticContact CG-NE2 3.98Å; H81-H85 AromaticContact ND1-NE2 3.91Å; H81-H85 AromaticContact NE2-CE1 3.88Å; H81-H85 AromaticContact NE2-NE2 3.12Å; H81-H85 PolarHBondContact NE2-NE2 3.47Å; H81-H85 VanDerWaalsContact NE2-NE2 3.12Å; H81-H85 PolarHBondContact O-CD2 3.18Å; H81-H85 VanDerWaalsContact O-CD2 3.29Å; H81-H85 PolarHBondContact O-NE2 3.25Å; Q82-H85 PolarHBondContact O-N 2.94Å; Q82-H85 VanDerWaalsContact O-N 3.13Å; L83-H85 PolarHBondContact O-N 3.43Å; L83-H85 VanDerWaalsContact O-N 3.14Å
86R92.3Very high90.1Very high13 Ų1358.5 Ų58.55%0.04928%0.275CS..THydrogen-bonded Turntrans-95.7-14.7178.3-61.6-169-171.5-138.215.2113.1L83 K84 Y120 L121 K123 C126 F127 F128 Y402L83-R86 WeakPolarHBondContact O-CA 3.33Å; L83-R86 PolarHBondContact O-N 2.78Å; K84-R86 VanDerWaalsContact C-N 3.34Å; R86-Y120 VanDerWaalsContact CD-O 3.3Å; R86-Y120 WeakPolarHBondContact CD-O 3.22Å; R86-Y120 PolarHBondContact NE-O 3.3Å; R86-Y120 PolarHBondContact NH1-O 3.01Å; R86-L121 PolarHBondContact NH2-O 3.28Å; R86-K123 PolarHBondContact NH1-O 3.24Å; R86-C126 WeakPolarHBondContact CD-O 3.44Å; R86-F127 HydrophobicContact CB-CD1 4.39Å; R86-F127 CarbonylContact O-C 3.59Å; R86-F127 VanDerWaalsContact O-CA 3.23Å; R86-F127 WeakPolarHBondContact O-CA 3.45Å; R86-F127 VanDerWaalsContact O-CB 3.24Å; R86-F127 WeakPolarHBondContact O-CB 3.44Å; R86-F127 WeakPolarHBondContact O-CD1 3.39Å; R86-F128 HydrophobicContact CB-CD1 4.49Å; R86-F128 HydrophobicContact CB-CE1 4.32Å; R86-F128 PolarHBondContact O-N 2.81Å; R86-Y402 HydrophobicContact CG-CD1 4.14Å; R86-Y402 HydrophobicContact CG-CE1 3.98Å
87E93.3Very high90.4Very high8 Ų857.7 Ų57.74%0.03727%0.265CS..BIsolated β-bridgetrans-74.5129.8170.5-171.4-174.2-17200110.9R48 L83 F89 F128R48-E87 IonicContact CZ-OE2 2.68Å; R48-E87 IonicContact NE-OE2 2.99Å; R48-E87 PolarHBondContact NE-OE2 3.22Å; R48-E87 IonicContact NH2-OE2 3.87Å; R48-E87 PolarHBondContact NH2-OE2 3.42Å; L83-E87 PolarHBondContact O-N 2.69Å; L83-E87 VanDerWaalsContact O-N 3.07Å; E87-F89 HydrophobicContact CG-CZ 4.45Å; E87-F128 WeakPolarHBondContact CA-O 3.27Å; E87-F128 HydrophobicContact CB-CE1 4.43Å; E87-F128 HydrophobicContact CB-CE2 4.04Å; E87-F128 HydrophobicContact CB-CZ 3.85Å; E87-F128 HydrophobicContact CG-CE2 3.93Å; E87-F128 HydrophobicContact CG-CZ 4.24Å
88L95.1Very high90.8Very high0 Ų051.8 Ų51.80%024%0.243CC..  trans-124.5160175.1-60.7175.7000110.3I24 L45 F46 R47 V108 F127 F128 Y129I24-L88 HydrophobicContact CB-CD1 4.12Å; I24-L88 HydrophobicContact CD1-CD1 3.82Å; I24-L88 HydrophobicContact CD1-CD2 3.64Å; I24-L88 HydrophobicContact CD1-CG 4.34Å; I24-L88 HydrophobicContact CG1-CD1 4.5Å; I24-L88 HydrophobicContact CG2-CD1 3.68Å; L45-L88 HydrophobicContact CB-CB 4.33Å; L45-L88 HydrophobicContact CB-CD1 4.16Å; L45-L88 HydrophobicContact CD2-CB 4.19Å; L45-L88 HydrophobicContact CD2-CD1 3.76Å; F46-L88 CarbonylContact O-C 3.55Å; F46-L88 WeakPolarHBondContact O-CA 3.39Å; R47-L88 HydrophobicContact CG-CD2 3.86Å; L88-V108 HydrophobicContact CD1-CG1 4.08Å; L88-V108 HydrophobicContact CD1-CG2 4.06Å; L88-F127 HydrophobicContact CD1-CB 3.59Å; L88-F127 HydrophobicContact CD1-CD1 3.89Å; L88-F127 HydrophobicContact CD1-CG 3.77Å; L88-F127 HydrophobicContact CD2-CD1 4.2Å; L88-F127 HydrophobicContact CG-CB 4.05Å; L88-F127 HydrophobicContact CG-CD1 3.96Å; L88-F127 HydrophobicContact CG-CG 4.25Å; L88-F128 PolarHBondContact N-O 3.43Å; L88-Y129 WeakPolarHBondContact O-CA 3.48Å; L88-Y129 WeakPolarHBondContact O-CB 3.43Å
89F95.1Very high91.2Very high0 Ų047.2 Ų47.20%022%0.222CC..EExtended strand (participates in β ladder)trans-114118.1173.4-54.6-73.2000109.6L45 F46 R48 I51 A59 E87 L131 F133 L140L45-F89 WeakPolarHBondContact CA-O 3.41Å; F46-F89 HydrophobicContact CB-CB 4.36Å; F46-F89 PolarHBondContact N-O 2.52Å; F46-F89 WeakPolarHBondContact O-CD2 3.33Å; F46-F89 PolarHBondContact O-N 2.74Å; R48-F89 HydrophobicContact CG-CE2 3.86Å; R48-F89 HydrophobicContact CG-CZ 4.17Å; I51-F89 HydrophobicContact CD1-CD2 3.79Å; I51-F89 HydrophobicContact CD1-CE1 4.39Å; I51-F89 HydrophobicContact CD1-CE2 3.3Å; I51-F89 HydrophobicContact CD1-CZ 3.65Å; I51-F89 HydrophobicContact CG1-CD2 4.38Å; I51-F89 HydrophobicContact CG1-CE2 4.08Å; I51-F89 HydrophobicContact CG2-CD2 4.24Å; A59-F89 HydrophobicContact CB-CE1 3.85Å; A59-F89 HydrophobicContact CB-CZ 3.72Å; E87-F89 HydrophobicContact CG-CZ 4.45Å; F89-L131 HydrophobicContact CD1-CB 3.93Å; F89-L131 HydrophobicContact CE1-CB 4.24Å; F89-L131 HydrophobicContact CE1-CD1 4.12Å; F89-F133 HydrophobicContact CB-CB 3.69Å; F89-L140 HydrophobicContact CB-CD2 4.41Å; F89-L140 HydrophobicContact CD1-CD2 3.63Å; F89-L140 HydrophobicContact CE1-CD1 4.32Å; F89-L140 HydrophobicContact CE1-CD2 4.16Å; F89-L140 HydrophobicContact CG-CD2 4.07Å
90L93.9Very high91.4Very high23 Ų2348 Ų4812%0.1223%0.231CC..EExtended strand (participates in β ladder)trans-70.1133.4177.5179.964.8000109.4V43 L45 Y129 L131 V132 F133V43-L90 HydrophobicContact CG1-CD1 3.77Å; L45-L90 HydrophobicContact CG-CD1 4.33Å; L90-Y129 HydrophobicContact CB-CD2 3.66Å; L90-Y129 HydrophobicContact CB-CE2 3.88Å; L90-Y129 HydrophobicContact CB-CG 4.16Å; L90-Y129 HydrophobicContact CD2-CD2 4.32Å; L90-Y129 HydrophobicContact CD2-CE2 3.64Å; L90-Y129 HydrophobicContact CG-CE2 4.38Å; L90-L131 PolarHBondContact N-O 2.85Å; L90-V132 CarbonylContact O-C 3.59Å; L90-V132 VanDerWaalsContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CG1 3.36Å; L90-F133 PolarHBondContact O-N 3.23Å
91S93.2Very high91.7Very high1 Ų146.7 Ų46.71%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-116.6152.9173.5-172.20000111.7V43 C44 F46 Q93 F133 P135V43-S91 WeakPolarHBondContact CG1-O 3.46Å; C44-S91 VanDerWaalsContact O-CB 3.29Å; C44-S91 WeakPolarHBondContact O-CB 3.37Å; C44-S91 PolarHBondContact O-N 3.3Å; F46-S91 VanDerWaalsContact CE2-CB 3.43Å; S91-Q93 PolarHBondContact O-N 3.11Å; S91-Q93 PolarHBondContact OG-N 3.39Å; S91-F133 WeakPolarHBondContact CA-O 3.22Å; S91-F133 WeakPolarHBondContact CB-O 3.33Å; S91-F133 PolarHBondContact OG-O 3.37Å; S91-F133 VanDerWaalsContact OG-O 3.12Å; S91-P135 WeakPolarHBondContact OG-CD 3.48Å; S91-P135 WeakPolarHBondContact OG-CG 3.47Å
92R86.5Confident92Very high202 Ų20245.4 Ų45.476%0.76222%0.221SC*.EExtended strand (participates in β ladder)trans-85.59.1169.8-60.4-175.9-178.51790.9112.8F94R92-F94 WeakPolarHBondContact O-CD2 3.28Å; R92-F94 WeakPolarHBondContact O-CE2 3.23Å
93Q90.3Very high92.2Very high69 Ų6946.5 Ų46.532%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-82.1130.7176.3-175.4177.9-17.800111.4C44 S91 E95 P135C44-Q93 PolarHBondContact N-O 3.45Å; C44-Q93 VanDerWaalsContact N-O 3.09Å; C44-Q93 PolarHBondContact SG-O 3.21Å; S91-Q93 PolarHBondContact O-N 3.11Å; S91-Q93 PolarHBondContact OG-N 3.39Å; Q93-E95 PolarHBondContact NE2-OE1 2.86Å; Q93-P135 HydrophobicContact CB-CG 3.97Å
94F92.6Very high92.3Very high103 Ų10346.7 Ų46.745%0.45223%0.228SC..EExtended strand (participates in β ladder)trans-105.1144.3174.5-60.1-99.3000110.7E28 K41 V42 V43 R92E28-F94 HydrophobicContact CB-CE1 4.37Å; E28-F94 HydrophobicContact CG-CD1 4.17Å; E28-F94 HydrophobicContact CG-CE1 3.79Å; K41-F94 HydrophobicContact CG-CD1 4.39Å; V42-F94 WeakPolarHBondContact O-CA 3.37Å; V43-F94 HydrophobicContact CG2-CD1 3.7Å; V43-F94 HydrophobicContact CG2-CE1 3.45Å; V43-F94 VanDerWaalsContact CG2-CE1 3.45Å; V43-F94 HydrophobicContact CG2-CG 4.46Å; V43-F94 HydrophobicContact CG2-CZ 3.98Å; R92-F94 WeakPolarHBondContact O-CD2 3.28Å; R92-F94 WeakPolarHBondContact O-CE2 3.23Å
95E93.7Very high92.5Very high63 Ų6346.4 Ų46.429%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-132.6145.6170.1-67.5179.2-175.300109.7R25 K41 V42 Q93R25-E95 IonicContact CZ-OE2 2.65Å; R25-E95 IonicContact NH1-OE1 3.02Å; R25-E95 IonicContact NH1-OE2 2.68Å; R25-E95 PolarHBondContact NH1-OE2 3.02Å; R25-E95 IonicContact NH2-OE1 3.37Å; R25-E95 IonicContact NH2-OE2 3.28Å; R25-E95 PolarHBondContact NH2-OE2 3.3Å; K41-E95 WeakPolarHBondContact CA-O 3.46Å; V42-E95 PolarHBondContact N-O 3.35Å; V42-E95 PolarHBondContact O-N 3.46Å; Q93-E95 PolarHBondContact NE2-OE1 2.86Å
96S93.4Very high92.7Very high64 Ų6445.6 Ų45.645%0.44823%0.225SC..EExtended strand (participates in β ladder)trans-101.6121.6170-163.50000108.8E39E39-S96 PolarHBondContact OE2-OG 3.38Å; E39-S96 VanDerWaalsContact OE2-OG 3.05Å
97L93.4Very high92.8Very high40 Ų4048.8 Ų48.821%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-132.8150.7179.6-65.6174.1000110.1F14 A40 A99F14-L97 HydrophobicContact CD1-CB 4.31Å; F14-L97 HydrophobicContact CD1-CD1 3.9Å; F14-L97 HydrophobicContact CE1-CB 3.82Å; F14-L97 HydrophobicContact CE1-CD1 4.15Å; A40-L97 PolarHBondContact N-O 3.04Å; A40-L97 PolarHBondContact O-N 3.17Å; L97-A99 PolarHBondContact O-N 3.25Å
98P93.6Very high92.9Very high53 Ų5348.7 Ų48.734%0.34424%0.243SC..EExtended strand (participates in β ladder)trans-55.6133.3173.7-24.934.4000111.3T100 H101P98-T100 PolarHBondContact O-N 2.78Å; P98-T100 VanDerWaalsContact O-N 3.1Å; P98-H101 WeakPolarHBondContact O-CB 3.37Å; P98-H101 PolarHBondContact O-N 3.15Å; P98-H101 VanDerWaalsContact O-N 3.09Å
99A92.4Very high92.8Very high4 Ų451 Ų513%0.03326%0.257CS..G310 helixtrans-59.3-27.4179.400000111.6V38 L97 H101 I102 V334 I336V38-A99 HydrophobicContact CB-CB 4.1Å; V38-A99 HydrophobicContact CG1-CB 4Å; V38-A99 WeakPolarHBondContact O-CB 3.37Å; V38-A99 PolarHBondContact O-N 3Å; L97-A99 PolarHBondContact O-N 3.25Å; A99-H101 PolarHBondContact O-N 3.45Å; A99-I102 WeakPolarHBondContact O-CB 3.36Å; A99-I102 WeakPolarHBondContact O-CG1 3.33Å; A99-I102 PolarHBondContact O-N 3.23Å; A99-V334 HydrophobicContact CB-CG1 4.5Å; A99-I336 HydrophobicContact CB-CD1 4.22Å; A99-I336 WeakPolarHBondContact O-CD1 3.33Å
100T91.1Very high92.6Very high89 Ų8954 Ų5455%0.54627%0.272SS..G310 helixtrans-59.1-14.6176.856.40000115P98 I102 R103P98-T100 PolarHBondContact O-N 2.78Å; P98-T100 VanDerWaalsContact O-N 3.1Å; T100-I102 VanDerWaalsContact C-N 3.3Å; T100-R103 PolarHBondContact O-NH1 2.94Å
101H92.1Very high92.3Very high55 Ų5553.4 Ų53.426%0.25527%0.269SS..G310 helixtrans-78.7-11.2174-68.7177000113.6F14 E15 P98 A99F14-H101 WeakPolarHBondContact CA-O 3.33Å; F14-H101 HydrophobicContact CD1-CB 3.63Å; F14-H101 HydrophobicContact CE1-CB 4.02Å; E15-H101 PolarHBondContact N-O 3.07Å; P98-H101 WeakPolarHBondContact O-CB 3.37Å; P98-H101 PolarHBondContact O-N 3.15Å; P98-H101 VanDerWaalsContact O-N 3.09Å; A99-H101 PolarHBondContact O-N 3.45Å
102I93.4Very high91.9Very high3 Ų357 Ų572%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-73130.4177.6-60.8165.9000109.5Y6 V12 Y13 F14 I27 A99 T100 I336Y6-I102 HydrophobicContact CD1-CG2 3.66Å; Y6-I102 HydrophobicContact CD2-CG2 4.39Å; Y6-I102 HydrophobicContact CE1-CG2 3.27Å; Y6-I102 HydrophobicContact CE2-CG2 4.09Å; Y6-I102 HydrophobicContact CG-CG2 4.18Å; V12-I102 HydrophobicContact CB-CG2 3.91Å; V12-I102 HydrophobicContact CG1-CG2 4.04Å; V12-I102 HydrophobicContact CG2-CD1 4.41Å; V12-I102 HydrophobicContact CG2-CG1 4.26Å; V12-I102 HydrophobicContact CG2-CG2 4.48Å; Y13-I102 WeakPolarHBondContact O-CA 3.44Å; F14-I102 HydrophobicContact CD1-CG1 4.44Å; F14-I102 HydrophobicContact CD2-CG1 4.16Å; F14-I102 HydrophobicContact CE1-CG1 3.89Å; F14-I102 HydrophobicContact CE2-CD1 4.15Å; F14-I102 HydrophobicContact CE2-CG1 3.6Å; F14-I102 HydrophobicContact CZ-CD1 3.87Å; F14-I102 HydrophobicContact CZ-CG1 3.43Å; F14-I102 VanDerWaalsContact CZ-CG1 3.43Å; I27-I102 HydrophobicContact CD1-CD1 3.98Å; A99-I102 WeakPolarHBondContact O-CB 3.36Å; A99-I102 WeakPolarHBondContact O-CG1 3.33Å; A99-I102 PolarHBondContact O-N 3.23Å; T100-I102 VanDerWaalsContact C-N 3.3Å; I102-I336 HydrophobicContact CB-CD1 3.69Å; I102-I336 HydrophobicContact CD1-CD1 3.77Å; I102-I336 HydrophobicContact CG1-CD1 4.2Å; I102-I336 HydrophobicContact CG2-CD1 4.27Å
103R91.1Very high91.4Very high57 Ų5753.6 Ų53.622%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-114.7-17-177.7-62.2-56.1-173.1-138.6-0.1114.3Y13 E15 Y22 T100 Y339Y13-R103 PolarHBondContact O-N 2.89Å; E15-R103 HydrophobicContact CB-CG 3.69Å; E15-R103 IonicContact OE2-CZ 2.78Å; E15-R103 VanDerWaalsContact OE2-CZ 3.3Å; E15-R103 IonicContact OE2-NE 2.69Å; E15-R103 PolarHBondContact OE2-NE 3.24Å; E15-R103 IonicContact OE2-NH2 3.41Å; E15-R103 PolarHBondContact OE2-NH2 3.03Å; Y22-R103 HydrophobicContact CD1-CG 4.4Å; Y22-R103 HydrophobicContact CE1-CB 4.07Å; Y22-R103 HydrophobicContact CE1-CG 3.81Å; T100-R103 PolarHBondContact O-NH1 2.94Å; R103-Y339 VanDerWaalsContact CZ-CG 3.5Å; R103-Y339 VanDerWaalsContact NH1-CD2 3.25Å; R103-Y339 VanDerWaalsContact NH1-CG 3.34Å
104G92.1Very high90.9Very high16 Ų1656.2 Ų56.217%0.16530%0.302CS..EExtended strand (participates in β ladder)trans178.4169.5-179.700000111.7Y6 V12 Y13Y6-G104 WeakPolarHBondContact OH-CA 3.24Å; Y6-G104 PolarHBondContact OH-N 3.22Å; V12-G104 CarbonylContact C-O 3.47Å; V12-G104 WeakPolarHBondContact CA-O 3.15Å; V12-G104 WeakPolarHBondContact CB-O 3.49Å; Y13-G104 PolarHBondContact N-O 3.16Å
105K93.4Very high90.5Very high80 Ų8053 Ų5335%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-94.1152.9172.7-61.2-167.5-175.7-166.60110.5M5 Y6 D10 Y11 V12M5-K105 WeakPolarHBondContact O-CE 3.45Å; M5-K105 PolarHBondContact O-NZ 3.36Å; Y6-K105 HydrophobicContact CD1-CD 4.33Å; Y6-K105 HydrophobicContact CD1-CG 3.71Å; Y6-K105 HydrophobicContact CE1-CD 4.48Å; Y6-K105 HydrophobicContact CE1-CG 3.52Å; D10-K105 WeakPolarHBondContact OD2-CE 3.38Å; D10-K105 IonicContact OD2-NZ 2.67Å; D10-K105 PolarHBondContact OD2-NZ 2.68Å; Y11-K105 WeakPolarHBondContact O-CA 3.27Å; V12-K105 HydrophobicContact CG1-CG 4.39Å
106C94.5Very high90.2Very high15 Ų1553.8 Ų53.810%0.10130%0.299CS..EExtended strand (participates in β ladder)trans-135168.1167.155.90000109.6Y11 Y13 D125 F127Y11-C106 WeakPolarHBondContact CB-O 3.29Å; Y11-C106 PolarHBondContact O-N 2.92Å; Y11-C106 VanDerWaalsContact O-O 3.13Å; Y13-C106 HydrophobicContact CD2-CB 4.46Å; Y13-C106 HydrophobicContact CE1-CB 4.02Å; Y13-C106 HydrophobicContact CE2-CB 3.88Å; C106-D125 WeakPolarHBondContact CA-O 3.33Å; C106-D125 HydrophobicContact CB-CB 4.26Å; C106-D125 WeakPolarHBondContact CB-O 3.33Å; C106-F127 HydrophobicContact CB-CD2 4.17Å; C106-F127 HydrophobicContact CB-CE2 3.93Å
107N94.7Very high89.9Confident80 Ų8051.2 Ų51.243%0.42828%0.28SS..EExtended strand (participates in β ladder)trans-109.9129.3173.7-172.525000109D125 C126 F127N107-D125 PolarHBondContact N-O 3.05Å; N107-C126 CarbonylContact O-C 3.59Å; N107-C126 WeakPolarHBondContact O-CA 3.49Å; N107-F127 PolarHBondContact O-N 3.01Å
108V94.9Very high89.5Confident5 Ų550.4 Ų50.43%0.0328%0.279CS..EExtended strand (participates in β ladder)trans-131123.1175.8-169.80000108.1Y11 I24 L45 L88 F127 Y129Y11-V108 HydrophobicContact CD1-CB 3.61Å; Y11-V108 HydrophobicContact CD1-CG1 4.49Å; Y11-V108 HydrophobicContact CD1-CG2 3.45Å; Y11-V108 VanDerWaalsContact CD1-CG2 3.45Å; Y11-V108 HydrophobicContact CD2-CB 4.02Å; Y11-V108 HydrophobicContact CD2-CG2 4.27Å; Y11-V108 HydrophobicContact CE1-CB 3.69Å; Y11-V108 HydrophobicContact CE1-CG1 4.26Å; Y11-V108 HydrophobicContact CE1-CG2 4.05Å; Y11-V108 HydrophobicContact CE2-CB 4.12Å; Y11-V108 VanDerWaalsContact CE2-O 3.31Å; Y11-V108 WeakPolarHBondContact CE2-O 3.22Å; Y11-V108 HydrophobicContact CG-CB 3.77Å; Y11-V108 HydrophobicContact CG-CG2 3.57Å; I24-V108 HydrophobicContact CG2-CG2 4.01Å; L45-V108 HydrophobicContact CD2-CB 4.37Å; L45-V108 HydrophobicContact CD2-CG1 3.71Å; L45-V108 HydrophobicContact CD2-CG2 4.26Å; L88-V108 HydrophobicContact CD1-CG1 4.08Å; L88-V108 HydrophobicContact CD1-CG2 4.06Å; V108-F127 WeakPolarHBondContact CA-O 2.86Å; V108-F127 HydrophobicContact CB-CB 4.48Å; V108-F127 HydrophobicContact CG1-CB 4.2Å; V108-F127 HydrophobicContact CG2-CB 4.09Å; V108-F127 HydrophobicContact CG2-CD2 4.41Å; V108-Y129 HydrophobicContact CG1-CD1 3.93Å
109T92.6Very high89.2Confident48 Ų4849.3 Ų49.329%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-119.1153.3179.848.80000111.1Y120 F127 F128 Y129T109-Y120 WeakPolarHBondContact OG1-CE1 3.48Å; T109-Y120 PolarHBondContact OG1-OH 3Å; T109-F127 PolarHBondContact N-O 3.02Å; T109-F127 VanDerWaalsContact N-O 3.14Å; T109-F128 CarbonylContact O-C 2.93Å; T109-F128 WeakPolarHBondContact O-CA 3.39Å; T109-Y129 WeakPolarHBondContact O-CD1 3.44Å; T109-Y129 PolarHBondContact O-N 2.89Å; T109-Y129 VanDerWaalsContact O-N 3.07Å
110L90.6Very high89Confident63 Ų6350.1 Ų50.133%0.3328%0.28SS..EExtended strand (participates in β ladder)trans-69.4132.9166.517969.7000107.7N112 Y129L110-N112 PolarHBondContact O-N 2.66Å; L110-Y129 HydrophobicContact CB-CE1 4.15Å; L110-Y129 HydrophobicContact CD1-CD2 3.99Å; L110-Y129 HydrophobicContact CD1-CE2 3.49Å; L110-Y129 VanDerWaalsContact CD1-CE2 3.49Å
111L88.9Confident88.9Confident11 Ų1147.2 Ų47.26%0.05826%0.261CS..  trans-72113.5174.9-176.968.2000109.2F66 D115 L117 Y120 F128 Y129F66-L111 HydrophobicContact CD1-CD2 4.07Å; F66-L111 HydrophobicContact CD2-CD2 4.19Å; F66-L111 HydrophobicContact CE1-CD1 4.31Å; F66-L111 HydrophobicContact CE1-CD2 3.84Å; F66-L111 HydrophobicContact CE1-CG 4.26Å; F66-L111 HydrophobicContact CE2-CD2 3.93Å; F66-L111 HydrophobicContact CE2-CG 4Å; F66-L111 HydrophobicContact CG-CD2 4.24Å; F66-L111 HydrophobicContact CZ-CD1 4Å; F66-L111 HydrophobicContact CZ-CD2 3.78Å; F66-L111 HydrophobicContact CZ-CG 3.77Å; L111-D115 HydrophobicContact CD1-CB 3.8Å; L111-L117 HydrophobicContact CD1-CD2 3.82Å; L111-L117 HydrophobicContact CD2-CD2 4.29Å; L111-Y120 HydrophobicContact CD1-CE2 3.99Å; L111-F128 HydrophobicContact CB-CB 4.47Å; L111-F128 HydrophobicContact CB-CD2 4Å; L111-F128 HydrophobicContact CD1-CD2 4.32Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CE2 4.07Å; L111-F128 HydrophobicContact CG-CD2 4.36Å; L111-Y129 PolarHBondContact N-O 3.17Å
112N83.8Confident88.6Confident78 Ų7852.2 Ų52.242%0.41728%0.284SS..  trans-88157.6174.2-56.2-57.4000111F66 L110 T114 D115F66-N112 WeakPolarHBondContact CZ-O 3.39Å; L110-N112 PolarHBondContact O-N 2.66Å; N112-T114 PolarHBondContact O-N 2.67Å; N112-T114 VanDerWaalsContact O-N 3.14Å; N112-D115 PolarHBondContact N-OD2 2.71Å; N112-D115 WeakPolarHBondContact O-CB 3.44Å; N112-D115 PolarHBondContact O-N 3.44Å
113E77Confident88.4Confident130 Ų13058.7 Ų58.761%0.60731%0.312SS*.THydrogen-bonded Turntrans-56.9-28.1176.5-67.6170.7-162.800113.4S70S70-E113 PolarHBondContact OG-O 3.2Å
114T78.6Confident88.1Confident124 Ų12463.3 Ų63.376%0.76134%0.336SS*.THydrogen-bonded Turntrans-92.6-4.3-179.7560000114N112N112-T114 PolarHBondContact O-N 2.67Å; N112-T114 VanDerWaalsContact O-N 3.14Å
115D84.9Confident88.1Confident35 Ų3564.3 Ų64.319%0.18734%0.337CS..  trans-73.2137.9-176-75.6-10.9000111.5Q72 L111 N112 Y120Q72-D115 PolarHBondContact NE2-O 3.21Å; L111-D115 HydrophobicContact CD1-CB 3.8Å; N112-D115 PolarHBondContact N-OD2 2.71Å; N112-D115 WeakPolarHBondContact O-CB 3.44Å; N112-D115 PolarHBondContact O-N 3.44Å; D115-Y120 HydrophobicContact CB-CE2 4.28Å; D115-Y120 PolarHBondContact OD2-OH 3.5Å
116V87.2Confident88.1Confident80 Ų8061 Ų6149%0.48533%0.325SS..  trans-93.8119.1174.4-178.20000109.9P73 A118 G119P73-V116 HydrophobicContact CG-CG1 4.16Å; V116-A118 VanDerWaalsContact C-N 3.25Å; V116-A118 HydrophobicContact CG1-CB 4.17Å; V116-A118 PolarHBondContact O-N 3.27Å; V116-G119 PolarHBondContact O-N 2.92Å; V116-G119 VanDerWaalsContact O-N 3.08Å
117L86.6Confident88.1Confident10 Ų1060.3 Ų60.35%0.05232%0.32CS..THydrogen-bonded Turntrans-59.7-33.4-174.9-69.6175.6000113.3F66 E67 Q72 L75 L83 L111 G119 Y120 F128F66-L117 HydrophobicContact CE1-CD1 4.45Å; F66-L117 HydrophobicContact CE1-CD2 4.41Å; F66-L117 HydrophobicContact CE1-CG 4.3Å; E67-L117 HydrophobicContact CG-CD1 4.3Å; Q72-L117 HydrophobicContact CG-CD1 4.42Å; Q72-L117 VanDerWaalsContact OE1-N 3.12Å; L75-L117 HydrophobicContact CD1-CB 4.29Å; L83-L117 HydrophobicContact CD1-CB 3.9Å; L83-L117 HydrophobicContact CD1-CD1 4.49Å; L83-L117 HydrophobicContact CD2-CB 4.45Å; L83-L117 WeakPolarHBondContact CD2-O 3.49Å; L111-L117 HydrophobicContact CD1-CD2 3.82Å; L111-L117 HydrophobicContact CD2-CD2 4.29Å; L117-G119 PolarHBondContact O-N 3.32Å; L117-Y120 WeakPolarHBondContact O-CB 3.46Å; L117-Y120 PolarHBondContact O-N 3.41Å; L117-Y120 VanDerWaalsContact O-N 3.13Å; L117-F128 HydrophobicContact CD2-CE1 4.36Å; L117-F128 HydrophobicContact CD2-CE2 4.46Å; L117-F128 HydrophobicContact CD2-CZ 4.12Å
118A87Confident88.1Confident23 Ų2357.1 Ų57.119%0.1930%0.302CS..THydrogen-bonded Turntrans-58.8-34.6177.900000113.1L75 V116 Y120 L121 E122L75-A118 HydrophobicContact CD2-CB 4.13Å; V116-A118 VanDerWaalsContact C-N 3.25Å; V116-A118 HydrophobicContact CG1-CB 4.17Å; V116-A118 PolarHBondContact O-N 3.27Å; A118-Y120 PolarHBondContact O-N 3.07Å; A118-L121 WeakPolarHBondContact O-CB 2.96Å; A118-L121 PolarHBondContact O-N 2.98Å; A118-E122 PolarHBondContact O-N 3.46Å
119G87.3Confident88Confident29 Ų2958 Ų5830%0.29931%0.305SS..Hα-helixtrans-63.1-26.3179.400000113V116 L117 L121V116-G119 PolarHBondContact O-N 2.92Å; V116-G119 VanDerWaalsContact O-N 3.08Å; L117-G119 PolarHBondContact O-N 3.32Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 2.84Å
120Y88.1Confident87.9Confident22 Ų2256.8 Ų56.89%0.08630%0.298CS..Hα-helixtrans-70.2-20.9172.8-72.9-83.4000112.9R86 T109 L111 D115 L117 A118 F128R86-Y120 VanDerWaalsContact CD-O 3.3Å; R86-Y120 WeakPolarHBondContact CD-O 3.22Å; R86-Y120 PolarHBondContact NE-O 3.3Å; R86-Y120 PolarHBondContact NH1-O 3.01Å; T109-Y120 WeakPolarHBondContact OG1-CE1 3.48Å; T109-Y120 PolarHBondContact OG1-OH 3Å; L111-Y120 HydrophobicContact CD1-CE2 3.99Å; D115-Y120 HydrophobicContact CB-CE2 4.28Å; D115-Y120 PolarHBondContact OD2-OH 3.5Å; L117-Y120 WeakPolarHBondContact O-CB 3.46Å; L117-Y120 PolarHBondContact O-N 3.41Å; L117-Y120 VanDerWaalsContact O-N 3.13Å; A118-Y120 PolarHBondContact O-N 3.07Å; Y120-F128 HydrophobicContact CD1-CB 4.13Å; Y120-F128 HydrophobicContact CD1-CD1 4.02Å; Y120-F128 HydrophobicContact CD2-CD1 4.24Å; Y120-F128 HydrophobicContact CE1-CB 3.61Å; Y120-F128 HydrophobicContact CE1-CD1 4.33Å; Y120-F128 HydrophobicContact CE1-CG 4.39Å; Y120-F128 HydrophobicContact CE2-CB 4.36Å; Y120-F128 AromaticContact CG-CD1 3.97Å; Y120-F128 HydrophobicContact CG-CD1 3.97Å
121L87.8Confident87.9Confident28 Ų2854 Ų5415%0.14728%0.284CS..Hα-helixtrans-84.1-31.8177.2-65.8178000112.9Q79 Q82 L83 R86 A118 G119 K123Q79-L121 HydrophobicContact CB-CD1 3.68Å; Q79-L121 HydrophobicContact CG-CD1 3.76Å; Q82-L121 HydrophobicContact CB-CD2 3.82Å; L83-L121 HydrophobicContact CD2-CD1 4.36Å; L83-L121 HydrophobicContact CD2-CD2 3.85Å; L83-L121 HydrophobicContact CD2-CG 3.79Å; L83-L121 HydrophobicContact CG-CD1 4.09Å; L83-L121 HydrophobicContact CG-CD2 3.97Å; L83-L121 HydrophobicContact CG-CG 4.02Å; R86-L121 PolarHBondContact NH2-O 3.28Å; A118-L121 WeakPolarHBondContact O-CB 2.96Å; A118-L121 PolarHBondContact O-N 2.98Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 2.84Å; L121-K123 PolarHBondContact O-N 3.16Å
122E87.1Confident88Confident160 Ų16054.4 Ų54.475%0.74829%0.287SS*.Hα-helixtrans-66.2-35.6-176-66.3175.6-178.400113A118A118-E122 PolarHBondContact O-N 3.46Å
123K87.4Confident88.5Confident138 Ų13851.2 Ų51.260%0.627%0.269SS*.SBendtrans-94.3132.9-180-64.1178-176.5172.50110.6R86 L121 C126R86-K123 PolarHBondContact NH1-O 3.24Å; L121-K123 PolarHBondContact O-N 3.16Å; K123-C126 HydrophobicContact CB-CB 4.17Å; K123-C126 WeakPolarHBondContact CB-SG 3.45Å
124E86.7Confident89.2Confident154 Ų15447.5 Ų47.572%0.7225%0.253SS*.THydrogen-bonded Turntrans-67.6156.4169-62.4-164.3163.400110.9C126E124-C126 PolarHBondContact O-N 2.67Å; E124-C126 PolarHBondContact O-SG 2.97Å
125D90.3Very high89.6Confident37 Ų3743.1 Ų43.120%0.19823%0.227CC..THydrogen-bonded Turntrans58.118.5175.1-56.1-24.6000116.1Y13 C106 N107 K401 Y402Y13-D125 HydrophobicContact CE2-CB 4.4Å; Y13-D125 PolarHBondContact OH-OD1 3.35Å; Y13-D125 VanDerWaalsContact OH-OD1 3.1Å; C106-D125 WeakPolarHBondContact CA-O 3.33Å; C106-D125 HydrophobicContact CB-CB 4.26Å; C106-D125 WeakPolarHBondContact CB-O 3.33Å; N107-D125 PolarHBondContact N-O 3.05Å; D125-K401 WeakPolarHBondContact OD1-CD 3.43Å; D125-K401 WeakPolarHBondContact OD1-CE 3.49Å; D125-K401 IonicContact OD1-NZ 3.85Å; D125-K401 PolarHBondContact OD1-NZ 2.88Å; D125-K401 IonicContact OD2-NZ 2.81Å; D125-K401 PolarHBondContact OD2-NZ 3.07Å; D125-Y402 PolarHBondContact N-OH 3.24Å
126C93.3Very high89.8Confident12 Ų1247.7 Ų47.78%0.08126%0.256CS..EExtended strand (participates in β ladder)trans-98.6133.3176.2-68.30000111.7R86 N107 K123 E124R86-C126 WeakPolarHBondContact CD-O 3.44Å; N107-C126 CarbonylContact O-C 3.59Å; N107-C126 WeakPolarHBondContact O-CA 3.49Å; K123-C126 HydrophobicContact CB-CB 4.17Å; K123-C126 WeakPolarHBondContact CB-SG 3.45Å; E124-C126 PolarHBondContact O-N 2.67Å; E124-C126 PolarHBondContact O-SG 2.97Å
127F95.3Very high89.8Confident0 Ų050.4 Ų50.40%026%0.263CS..EExtended strand (participates in β ladder)trans-133.1164.9177.9-59.5-95.4000109.7Y13 I24 R86 L88 C106 N107 V108 T109 Y402Y13-F127 AromaticContact CE1-CE2 3.85Å; Y13-F127 HydrophobicContact CE1-CE2 3.85Å; Y13-F127 AromaticContact CE1-CZ 3.92Å; Y13-F127 HydrophobicContact CE1-CZ 3.92Å; Y13-F127 AromaticContact CZ-CE2 3.85Å; Y13-F127 WeakPolarHBondContact OH-CE2 3.35Å; Y13-F127 WeakPolarHBondContact OH-CZ 3.22Å; I24-F127 HydrophobicContact CD1-CD1 3.98Å; I24-F127 HydrophobicContact CD1-CD2 4.49Å; I24-F127 HydrophobicContact CD1-CE1 3.62Å; I24-F127 HydrophobicContact CD1-CE2 4.16Å; I24-F127 HydrophobicContact CD1-CG 4.44Å; I24-F127 HydrophobicContact CD1-CZ 3.73Å; R86-F127 HydrophobicContact CB-CD1 4.39Å; R86-F127 CarbonylContact O-C 3.59Å; R86-F127 VanDerWaalsContact O-CA 3.23Å; R86-F127 WeakPolarHBondContact O-CA 3.45Å; R86-F127 VanDerWaalsContact O-CB 3.24Å; R86-F127 WeakPolarHBondContact O-CB 3.44Å; R86-F127 WeakPolarHBondContact O-CD1 3.39Å; L88-F127 HydrophobicContact CD1-CB 3.59Å; L88-F127 HydrophobicContact CD1-CD1 3.89Å; L88-F127 HydrophobicContact CD1-CG 3.77Å; L88-F127 HydrophobicContact CD2-CD1 4.2Å; L88-F127 HydrophobicContact CG-CB 4.05Å; L88-F127 HydrophobicContact CG-CD1 3.96Å; L88-F127 HydrophobicContact CG-CG 4.25Å; C106-F127 HydrophobicContact CB-CD2 4.17Å; C106-F127 HydrophobicContact CB-CE2 3.93Å; N107-F127 PolarHBondContact O-N 3.01Å; V108-F127 WeakPolarHBondContact CA-O 2.86Å; V108-F127 HydrophobicContact CB-CB 4.48Å; V108-F127 HydrophobicContact CG1-CB 4.2Å; V108-F127 HydrophobicContact CG2-CB 4.09Å; V108-F127 HydrophobicContact CG2-CD2 4.41Å; T109-F127 PolarHBondContact N-O 3.02Å; T109-F127 VanDerWaalsContact N-O 3.14Å; F127-Y402 AromaticContact CE1-CD1 3.57Å; F127-Y402 HydrophobicContact CE1-CD1 3.57Å; F127-Y402 AromaticContact CE1-CE1 3.83Å; F127-Y402 HydrophobicContact CE1-CE1 3.83Å; F127-Y402 HydrophobicContact CE2-CE1 4.33Å; F127-Y402 AromaticContact CZ-CD1 3.64Å; F127-Y402 HydrophobicContact CZ-CD1 3.64Å; F127-Y402 AromaticContact CZ-CE1 3.58Å; F127-Y402 HydrophobicContact CZ-CE1 3.58Å
128F94.3Very high90Very high13 Ų1356.9 Ų56.96%0.05729%0.291CS..EExtended strand (participates in β ladder)trans-137.7161.8172.465.6-86.9000111.5L83 R86 E87 L88 T109 L111 L117 Y120L83-F128 HydrophobicContact CD2-CE1 4.26Å; R86-F128 HydrophobicContact CB-CD1 4.49Å; R86-F128 HydrophobicContact CB-CE1 4.32Å; R86-F128 PolarHBondContact O-N 2.81Å; E87-F128 WeakPolarHBondContact CA-O 3.27Å; E87-F128 HydrophobicContact CB-CE1 4.43Å; E87-F128 HydrophobicContact CB-CE2 4.04Å; E87-F128 HydrophobicContact CB-CZ 3.85Å; E87-F128 HydrophobicContact CG-CE2 3.93Å; E87-F128 HydrophobicContact CG-CZ 4.24Å; L88-F128 PolarHBondContact N-O 3.43Å; T109-F128 CarbonylContact O-C 2.93Å; T109-F128 WeakPolarHBondContact O-CA 3.39Å; L111-F128 HydrophobicContact CB-CB 4.47Å; L111-F128 HydrophobicContact CB-CD2 4Å; L111-F128 HydrophobicContact CD1-CD2 4.32Å; L111-F128 HydrophobicContact CD2-CD2 4.03Å; L111-F128 HydrophobicContact CD2-CE2 4.07Å; L111-F128 HydrophobicContact CG-CD2 4.36Å; L117-F128 HydrophobicContact CD2-CE1 4.36Å; L117-F128 HydrophobicContact CD2-CE2 4.46Å; L117-F128 HydrophobicContact CD2-CZ 4.12Å; Y120-F128 HydrophobicContact CD1-CB 4.13Å; Y120-F128 HydrophobicContact CD1-CD1 4.02Å; Y120-F128 HydrophobicContact CD2-CD1 4.24Å; Y120-F128 HydrophobicContact CE1-CB 3.61Å; Y120-F128 HydrophobicContact CE1-CD1 4.33Å; Y120-F128 HydrophobicContact CE1-CG 4.39Å; Y120-F128 HydrophobicContact CE2-CB 4.36Å; Y120-F128 AromaticContact CG-CD1 3.97Å; Y120-F128 HydrophobicContact CG-CD1 3.97Å
129Y92.9Very high90.1Very high23 Ų2357.9 Ų57.99%0.0930%0.295CS..EExtended strand (participates in β ladder)trans-136.9147.1167.771.5-80.3000109.8L88 L90 V108 T109 L110 L111L88-Y129 WeakPolarHBondContact O-CA 3.48Å; L88-Y129 WeakPolarHBondContact O-CB 3.43Å; L90-Y129 HydrophobicContact CB-CD2 3.66Å; L90-Y129 HydrophobicContact CB-CE2 3.88Å; L90-Y129 HydrophobicContact CB-CG 4.16Å; L90-Y129 HydrophobicContact CD2-CD2 4.32Å; L90-Y129 HydrophobicContact CD2-CE2 3.64Å; L90-Y129 HydrophobicContact CG-CE2 4.38Å; V108-Y129 HydrophobicContact CG1-CD1 3.93Å; T109-Y129 WeakPolarHBondContact O-CD1 3.44Å; T109-Y129 PolarHBondContact O-N 2.89Å; T109-Y129 VanDerWaalsContact O-N 3.07Å; L110-Y129 HydrophobicContact CB-CE1 4.15Å; L110-Y129 HydrophobicContact CD1-CD2 3.99Å; L110-Y129 HydrophobicContact CD1-CE2 3.49Å; L110-Y129 VanDerWaalsContact CD1-CE2 3.49Å; L111-Y129 PolarHBondContact N-O 3.17Å
130S90Very high90.2Very high22 Ų2257.1 Ų57.115%0.15428%0.284CS..  trans-124.6-20.1171.655.90000112.3
131L91.2Very high90.1Very high6 Ų661.6 Ų61.63%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-118.3144.6-175.2-60.1178.7000111.3A59 N62 F89 L90 L140 L141 A142A59-L131 HydrophobicContact CB-CD1 4.14Å; N62-L131 HydrophobicContact CB-CD1 4.31Å; F89-L131 HydrophobicContact CD1-CB 3.93Å; F89-L131 HydrophobicContact CE1-CB 4.24Å; F89-L131 HydrophobicContact CE1-CD1 4.12Å; L90-L131 PolarHBondContact N-O 2.85Å; L131-L140 HydrophobicContact CB-CD2 4.24Å; L131-L140 HydrophobicContact CD1-CB 4.42Å; L131-L140 HydrophobicContact CD1-CD1 4.19Å; L131-L141 CarbonylContact C-O 3.39Å; L131-L141 WeakPolarHBondContact CA-O 3.32Å; L131-A142 HydrophobicContact CD2-CB 4.12Å
132V92.1Very high89.6Confident19 Ų1963 Ų6312%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-97.5125.2172.2-177.80000109.1L90 L140 L141 D143L90-V132 CarbonylContact O-C 3.59Å; L90-V132 VanDerWaalsContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CA 3.28Å; L90-V132 WeakPolarHBondContact O-CG1 3.36Å; V132-L140 WeakPolarHBondContact O-CA 3.49Å; V132-L141 PolarHBondContact N-O 2.85Å; V132-L141 PolarHBondContact O-N 3.24Å; V132-D143 HydrophobicContact CG2-CB 3.88Å
133F93.9Very high88.6Confident11 Ų1158.9 Ų58.95%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-100.2121.9176.5176.8-122.5000111.4F46 I51 L55 F89 L90 S91 P135 T139 L140F46-F133 HydrophobicContact CB-CD1 4.2Å; F46-F133 HydrophobicContact CD1-CD1 4.32Å; F46-F133 HydrophobicContact CD1-CE1 4.18Å; F46-F133 AromaticContact CD2-CD1 3.76Å; F46-F133 HydrophobicContact CD2-CD1 3.76Å; F46-F133 HydrophobicContact CD2-CE1 4.33Å; F46-F133 HydrophobicContact CE1-CE1 4.36Å; F46-F133 HydrophobicContact CE2-CD1 4.17Å; F46-F133 HydrophobicContact CE2-CE1 4.49Å; F46-F133 AromaticContact CG-CD1 3.83Å; F46-F133 HydrophobicContact CG-CD1 3.83Å; F46-F133 HydrophobicContact CG-CE1 4.16Å; I51-F133 HydrophobicContact CG2-CD1 3.88Å; I51-F133 HydrophobicContact CG2-CD2 3.93Å; I51-F133 HydrophobicContact CG2-CE1 3.8Å; I51-F133 HydrophobicContact CG2-CE2 3.87Å; I51-F133 HydrophobicContact CG2-CG 3.95Å; I51-F133 HydrophobicContact CG2-CZ 3.8Å; L55-F133 HydrophobicContact CD1-CD2 4.11Å; L55-F133 HydrophobicContact CD1-CE2 3.56Å; F89-F133 HydrophobicContact CB-CB 3.69Å; L90-F133 PolarHBondContact O-N 3.23Å; S91-F133 WeakPolarHBondContact CA-O 3.22Å; S91-F133 WeakPolarHBondContact CB-O 3.33Å; S91-F133 PolarHBondContact OG-O 3.37Å; S91-F133 VanDerWaalsContact OG-O 3.12Å; F133-P135 HydrophobicContact CD1-CB 4.34Å; F133-P135 HydrophobicContact CE1-CB 3.76Å; F133-P135 HydrophobicContact CZ-CB 4.25Å; F133-P135 VanDerWaalsContact O-CD 3.24Å; F133-P135 WeakPolarHBondContact O-CD 3.45Å; F133-T139 WeakPolarHBondContact CA-O 3.45Å; F133-T139 WeakPolarHBondContact CD2-O 3.15Å; F133-L140 HydrophobicContact CB-CD2 3.71Å; F133-L140 HydrophobicContact CD2-CD2 3.96Å; F133-L140 HydrophobicContact CD2-CG 4.42Å; F133-L140 HydrophobicContact CG-CD2 4.25Å
134D90.9Very high87.5Confident51 Ų5157.9 Ų57.927%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-90.9107.4167.3-173.1-29.4000109.6V136 Q137 K138 T139D134-V136 VanDerWaalsContact C-N 3.28Å; D134-V136 PolarHBondContact O-N 2.67Å; D134-V136 WeakPolarHBondContact OD1-CA 3.07Å; D134-V136 WeakPolarHBondContact OD1-CB 3.31Å; D134-V136 PolarHBondContact OD1-N 3.05Å; D134-Q137 HydrophobicContact CB-CB 4.16Å; D134-Q137 PolarHBondContact OD1-N 3.1Å; D134-Q137 VanDerWaalsContact OD2-CG 3.29Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.35Å; D134-K138 WeakPolarHBondContact O-CA 3.3Å; D134-K138 PolarHBondContact O-N 3.3Å; D134-T139 PolarHBondContact N-O 3.49Å; D134-T139 PolarHBondContact O-N 3.01Å
135P88.3Confident86.2Confident32 Ų3254.7 Ų54.721%0.20831%0.313CS..THydrogen-bonded Turntrans-71.5-21-179.426.5-32.9000113.4F46 S91 Q93 F133F46-P135 HydrophobicContact CZ-CB 4.3Å; S91-P135 WeakPolarHBondContact OG-CD 3.48Å; S91-P135 WeakPolarHBondContact OG-CG 3.47Å; Q93-P135 HydrophobicContact CB-CG 3.97Å; F133-P135 HydrophobicContact CD1-CB 4.34Å; F133-P135 HydrophobicContact CE1-CB 3.76Å; F133-P135 HydrophobicContact CZ-CB 4.25Å; F133-P135 VanDerWaalsContact O-CD 3.24Å; F133-P135 WeakPolarHBondContact O-CD 3.45Å
136V88.2Confident85.1Confident131 Ų13161.1 Ų61.179%0.79434%0.342SS*.THydrogen-bonded Turntrans-80.2-48.4178.9-177.90000109.8D134D134-V136 VanDerWaalsContact C-N 3.28Å; D134-V136 PolarHBondContact O-N 2.67Å; D134-V136 WeakPolarHBondContact OD1-CA 3.07Å; D134-V136 WeakPolarHBondContact OD1-CB 3.31Å; D134-V136 PolarHBondContact OD1-N 3.05Å
137Q87.5Confident84.6Confident137 Ų13767.7 Ų67.764%0.6438%0.375SS*.THydrogen-bonded Turntrans-84.5-17.9179.9-62.4-171.8-6.800113.3D134 T139D134-Q137 HydrophobicContact CB-CB 4.16Å; D134-Q137 PolarHBondContact OD1-N 3.1Å; D134-Q137 VanDerWaalsContact OD2-CG 3.29Å; D134-Q137 WeakPolarHBondContact OD2-CG 3.35Å; Q137-T139 HydrophobicContact CB-CG2 4.1Å
138K90.5Very high84Confident146 Ų14675.3 Ų75.364%0.63540%0.403SS*.THydrogen-bonded Turntrans5749-173.3-56.1-176.3178.5-175.40112L55 D134L55-K138 WeakPolarHBondContact CD1-O 3.32Å; D134-K138 WeakPolarHBondContact O-CA 3.3Å; D134-K138 PolarHBondContact O-N 3.3Å
139T89.3Confident83.7Confident45 Ų4580.4 Ų80.428%0.27644%0.435SS..EExtended strand (participates in β ladder)trans-119.2150.8179.352.20000110.5F133 D134 Q137F133-T139 WeakPolarHBondContact CA-O 3.45Å; F133-T139 WeakPolarHBondContact CD2-O 3.15Å; D134-T139 PolarHBondContact N-O 3.49Å; D134-T139 PolarHBondContact O-N 3.01Å; Q137-T139 HydrophobicContact CB-CG2 4.1Å
140L88.8Confident83.4Confident13 Ų1380.7 Ų80.77%0.06845%0.445CS..EExtended strand (participates in β ladder)trans-114.3132.4168.4-73.9173.2000108I51 L55 L58 A59 F89 L131 V132 F133I51-L140 HydrophobicContact CD1-CD1 4.1Å; L55-L140 HydrophobicContact CB-CD1 3.72Å; L55-L140 HydrophobicContact CB-CG 4.24Å; L55-L140 HydrophobicContact CD1-CG 4.5Å; L55-L140 HydrophobicContact CD2-CB 4.48Å; L55-L140 HydrophobicContact CD2-CD1 4.3Å; L55-L140 HydrophobicContact CD2-CG 4.15Å; L55-L140 HydrophobicContact CG-CD1 4.48Å; L55-L140 VanDerWaalsContact O-CD1 3.32Å; L55-L140 WeakPolarHBondContact O-CD1 3.44Å; L58-L140 HydrophobicContact CD2-CB 4.09Å; A59-L140 HydrophobicContact CB-CD1 4.25Å; F89-L140 HydrophobicContact CB-CD2 4.41Å; F89-L140 HydrophobicContact CD1-CD2 3.63Å; F89-L140 HydrophobicContact CE1-CD1 4.32Å; F89-L140 HydrophobicContact CE1-CD2 4.16Å; F89-L140 HydrophobicContact CG-CD2 4.07Å; L131-L140 HydrophobicContact CB-CD2 4.24Å; L131-L140 HydrophobicContact CD1-CB 4.42Å; L131-L140 HydrophobicContact CD1-CD1 4.19Å; V132-L140 WeakPolarHBondContact O-CA 3.49Å; F133-L140 HydrophobicContact CB-CD2 3.71Å; F133-L140 HydrophobicContact CD2-CD2 3.96Å; F133-L140 HydrophobicContact CD2-CG 4.42Å; F133-L140 HydrophobicContact CG-CD2 4.25Å
141L86.1Confident83.3Confident116 Ų11685.2 Ų85.261%0.60748%0.477SS*.EExtended strand (participates in β ladder)trans-128.5141.4176.8-63.6172.7000108.7L131 V132L131-L141 CarbonylContact C-O 3.39Å; L131-L141 WeakPolarHBondContact CA-O 3.32Å; V132-L141 PolarHBondContact N-O 2.85Å; V132-L141 PolarHBondContact O-N 3.24Å
142A78.1Confident83.2Confident56 Ų5694.1 Ų94.146%0.46352%0.515SS..EExtended strand (participates in β ladder)trans-64.6137.7166.100000109L131 Q144L131-A142 HydrophobicContact CD2-CB 4.12Å; A142-Q144 PolarHBondContact O-N 3.09Å
143D65.3Low83Confident74 Ų7499.2 Ų99.240%0.39653%0.533SS..SBendtrans-78.18.4175.7-15423.4000112.2V132V132-D143 HydrophobicContact CG2-CB 3.88Å
144Q64Low83.1Confident118 Ų118103.3 Ų103.355%0.55155%0.552SS**  trans-102.3128.9-175.6-67.3-172.2-21.400111.5A142A142-Q144 PolarHBondContact O-N 3.09Å
145G60.9Low83.3Confident86 Ų86105 Ų10589%0.88757%0.574SS**  trans-81.2126.5166.600000109.9
146E67Low83.6Confident173 Ų173112.5 Ų112.581%0.80861%0.606SS**  trans-104.7136.6-178.1-163.9-170.216200111.3
147I82.7Confident84Confident149 Ų149113.3 Ų113.376%0.76460%0.604SS**  trans-69.7134.1172.2-171.8168.2000110
148R81.7Confident84.2Confident161 Ų161112.3 Ų112.361%0.60861%0.61SS**  trans-104.9134.9-177.6-58.5-168.1-179176.62.4111.5Y153R148-Y153 HydrophobicContact CB-CD1 3.89Å; R148-Y153 HydrophobicContact CB-CD2 3.73Å; R148-Y153 HydrophobicContact CB-CE1 3.92Å; R148-Y153 HydrophobicContact CB-CE2 3.74Å; R148-Y153 HydrophobicContact CB-CG 3.8Å; R148-Y153 VanDerWaalsContact CD-OH 3.26Å; R148-Y153 WeakPolarHBondContact CD-OH 3.46Å; R148-Y153 HydrophobicContact CG-CE1 4.3Å; R148-Y153 PolarHBondContact NH1-OH 3.26Å
149V88.6Confident84.3Confident120 Ų120112.7 Ų112.773%0.72762%0.619SS**  trans-116.6131.8176.7-178.20000109.8
150G85.8Confident84.5Confident28 Ų28120 Ų12029%0.28965%0.647SS.*SBendtrans150.8157.8175.300000112.2K152 Y153 Q154G150-K152 PolarHBondContact O-N 3.24Å; G150-Y153 WeakPolarHBondContact O-CA 3.24Å; G150-Y153 WeakPolarHBondContact O-CB 3.44Å; G150-Y153 PolarHBondContact O-N 3.4Å; G150-Q154 PolarHBondContact O-N 2.64Å; G150-Q154 VanDerWaalsContact O-N 3.09Å; G150-Q154 PolarHBondContact O-OE1 2.88Å
151S88.8Confident84.7Confident118 Ų118123.8 Ų123.883%0.82567%0.667SS**THydrogen-bonded Turntrans-54.6-14.9-176.555.80000116.2Y153S151-Y153 VanDerWaalsContact C-N 3.31Å
152K88.3Confident84.9Confident192 Ų192122 Ų12284%0.83566%0.661SS**THydrogen-bonded Turntrans-81.1-11172.8-61-179.5-178.1176.50113.7G150G150-K152 PolarHBondContact O-N 3.24Å
153Y89.3Confident85.3Confident126 Ų126129 Ų12949%0.49468%0.684SS.*THydrogen-bonded Turntrans-121.2-41.7-173-56.1-70.6000111.6R148 G150 S151R148-Y153 HydrophobicContact CB-CD1 3.89Å; R148-Y153 HydrophobicContact CB-CD2 3.73Å; R148-Y153 HydrophobicContact CB-CE1 3.92Å; R148-Y153 HydrophobicContact CB-CE2 3.74Å; R148-Y153 HydrophobicContact CB-CG 3.8Å; R148-Y153 VanDerWaalsContact CD-OH 3.26Å; R148-Y153 WeakPolarHBondContact CD-OH 3.46Å; R148-Y153 HydrophobicContact CG-CE1 4.3Å; R148-Y153 PolarHBondContact NH1-OH 3.26Å; G150-Y153 WeakPolarHBondContact O-CA 3.24Å; G150-Y153 WeakPolarHBondContact O-CB 3.44Å; G150-Y153 PolarHBondContact O-N 3.4Å; S151-Y153 VanDerWaalsContact C-N 3.31Å
154Q94.4Very high86.3Confident97 Ų97133 Ų13345%0.45371%0.705SS.*SBendtrans-72.5140173.8-76.788.723.600111.6G150G150-Q154 PolarHBondContact O-N 2.64Å; G150-Q154 VanDerWaalsContact O-N 3.09Å; G150-Q154 PolarHBondContact O-OE1 2.88Å
155A95.9Very high87.5Confident88 Ų88132.7 Ų132.773%0.72770%0.704SS**PPolyproline II helixtrans-72.6147.5167.600000110.4
156E95.2Very high88.7Confident188 Ų188134.8 Ų134.888%0.87970%0.699SS**PPolyproline II helixtrans-71.4126.1165.2-172.8170.9-169.800108.4P158E156-P158 WeakPolarHBondContact O-CD 3.41Å
157I95.4Very high89.8Confident148 Ų148130 Ų13076%0.75968%0.679SS**PPolyproline II helixtrans-80.4119.4-176.4-60.2174.1000107.3D159I157-D159 PolarHBondContact O-N 3.22Å
158P93.3Very high90.2Very high117 Ų117129.4 Ų129.476%0.7668%0.683SS**PPolyproline II helixtrans-61135.7175-21.233.4000110.6E156E156-P158 WeakPolarHBondContact O-CD 3.41Å
159D91.8Very high90.7Very high153 Ų153129.7 Ų129.782%0.81868%0.684SS**PPolyproline II helixtrans-63.1146.6176.9-69.5-37.4000111.1I157 L161I157-D159 PolarHBondContact O-N 3.22Å; D159-L161 PolarHBondContact O-N 2.83Å
160K92.6Very high90.9Very high198 Ų198127.4 Ų127.486%0.86167%0.67SS**PPolyproline II helixtrans-68.6125.2175-175.7-173173.4-169.90108.8
161L93.7Very high91.3Very high93 Ų93132 Ų13249%0.48768%0.684SS.*PPolyproline II helixtrans-57.2138.3173-64174.5000110.8D159 E165 D167D159-L161 PolarHBondContact O-N 2.83Å; L161-E165 HydrophobicContact CB-CB 4.42Å; L161-E165 HydrophobicContact CD2-CB 4.27Å; L161-D167 HydrophobicContact CD1-CB 4.11Å
162T91.3Very high91.5Very high80 Ų80134.7 Ų134.749%0.49168%0.683SS.*PPolyproline II helixtrans-74.9163.6172.158.10000111D164 E165T162-D164 PolarHBondContact O-N 3.39Å; T162-E165 PolarHBondContact N-OE2 2.99Å; T162-E165 PolarHBondContact O-N 3.26Å; T162-E165 VanDerWaalsContact OG1-CD 3.22Å; T162-E165 WeakPolarHBondContact OG1-CG 3.42Å; T162-E165 PolarHBondContact OG1-OE2 2.9Å
163E85Confident91.7Very high202 Ų202134.2 Ų134.294%0.94468%0.681SS**THydrogen-bonded Turntrans-62.1-26.3-174.9-64.7-172.7166.600113.4
164D86.8Confident92Very high158 Ų158133.5 Ų133.585%0.84568%0.684SS**THydrogen-bonded Turntrans-89.6-12.6178.4-60.8-45.4000113.2T162T162-D164 PolarHBondContact O-N 3.39Å
165E89.3Confident92.1Very high111 Ų111134.3 Ų134.352%0.51969%0.688SS.*  trans-91.8115.7-179.9-78.4175.4153.600111L161 T162L161-E165 HydrophobicContact CB-CB 4.42Å; L161-E165 HydrophobicContact CD2-CB 4.27Å; T162-E165 PolarHBondContact N-OE2 2.99Å; T162-E165 PolarHBondContact O-N 3.26Å; T162-E165 VanDerWaalsContact OG1-CD 3.22Å; T162-E165 WeakPolarHBondContact OG1-CG 3.42Å; T162-E165 PolarHBondContact OG1-OE2 2.9Å
166V86.6Confident92Very high131 Ų131135.9 Ų135.979%0.79469%0.688SS**  trans-91.4141.4170.5-98.10000110.9T168V166-T168 PolarHBondContact O-N 3.33Å
167D89.6Confident91.9Very high71 Ų71133.3 Ų133.338%0.3867%0.674SS.*  trans-59.6131.9173-170.4-17.1000111.2L161 R169L161-D167 HydrophobicContact CD1-CB 4.11Å; D167-R169 VanDerWaalsContact C-N 3.26Å; D167-R169 PolarHBondContact O-N 3.16Å; D167-R169 WeakPolarHBondContact OD1-CB 3.14Å; D167-R169 VanDerWaalsContact OD1-CG 3.23Å; D167-R169 WeakPolarHBondContact OD1-CG 3.46Å; D167-R169 PolarHBondContact OD1-N 2.92Å; D167-R169 IonicContact OD1-NE 3.93Å; D167-R169 PolarHBondContact OD1-NE 2.91Å; D167-R169 IonicContact OD2-CZ 3.09Å; D167-R169 IonicContact OD2-NE 4Å; D167-R169 PolarHBondContact OD2-NE 3.41Å; D167-R169 IonicContact OD2-NH2 2.83Å; D167-R169 PolarHBondContact OD2-NH2 3.37Å
168T90.5Very high91.9Very high137 Ų137130.3 Ų130.384%0.8466%0.662SS**  trans-83.41.1-176.858.20000113.5V166 V170V166-T168 PolarHBondContact O-N 3.33Å; T168-V170 PolarHBondContact O-N 3.09Å
169R92.7Very high92Very high168 Ų168128.3 Ų128.363%0.63464%0.64SS**  trans-64126.3179.5-75.2-176.8-60.6168.7-0.8112D167 M174D167-R169 VanDerWaalsContact C-N 3.26Å; D167-R169 PolarHBondContact O-N 3.16Å; D167-R169 WeakPolarHBondContact OD1-CB 3.14Å; D167-R169 VanDerWaalsContact OD1-CG 3.23Å; D167-R169 WeakPolarHBondContact OD1-CG 3.46Å; D167-R169 PolarHBondContact OD1-N 2.92Å; D167-R169 IonicContact OD1-NE 3.93Å; D167-R169 PolarHBondContact OD1-NE 2.91Å; D167-R169 IonicContact OD2-CZ 3.09Å; D167-R169 IonicContact OD2-NE 4Å; D167-R169 PolarHBondContact OD2-NE 3.41Å; D167-R169 IonicContact OD2-NH2 2.83Å; D167-R169 PolarHBondContact OD2-NH2 3.37Å; R169-M174 HydrophobicContact CB-CE 3.83Å; R169-M174 HydrophobicContact CB-SD 4.27Å; R169-M174 HydrophobicContact CG-CE 4.22Å; R169-M174 HydrophobicContact CG-SD 4.2Å
170V93.5Very high92.2Very high71 Ų71122.5 Ų122.543%0.4361%0.609SS.*  trans-94.5107.1174.8-178.60000109.6T168 E172 K173T168-V170 PolarHBondContact O-N 3.09Å; V170-E172 PolarHBondContact O-N 2.96Å; V170-K173 HydrophobicContact CB-CD 4.3Å; V170-K173 HydrophobicContact CB-CG 4.42Å; V170-K173 HydrophobicContact CG1-CD 4.28Å; V170-K173 HydrophobicContact CG1-CG 4.09Å; V170-K173 PolarHBondContact O-N 2.94Å; V170-K173 VanDerWaalsContact O-N 3.16Å
171Q93.1Very high92.3Very high125 Ų125118.8 Ų118.858%0.58461%0.605SS**Hα-helixtrans-61.6-39.3-172.2-166.116615.200113.4K173 M174 E175Q171-K173 PolarHBondContact O-N 3.49Å; Q171-K173 VanDerWaalsContact O-N 3.1Å; Q171-M174 PolarHBondContact O-N 3.02Å; Q171-E175 HydrophobicContact CG-CG 3.73Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.48Å; Q171-E175 PolarHBondContact NE2-OE1 2.86Å; Q171-E175 PolarHBondContact O-N 3.45Å
172E92.6Very high92.2Very high174 Ų174119.3 Ų119.381%0.81362%0.616SS**Hα-helixtrans-59.4-25178.3-62.2179.9171.300114V170V170-E172 PolarHBondContact O-N 2.96Å
173K94.1Very high92.3Very high182 Ų182117 Ų11779%0.79160%0.601SS**Hα-helixtrans-87-18175.9-66.5-178-179174.80112.9V170 Q171V170-K173 HydrophobicContact CB-CD 4.3Å; V170-K173 HydrophobicContact CB-CG 4.42Å; V170-K173 HydrophobicContact CG1-CD 4.28Å; V170-K173 HydrophobicContact CG1-CG 4.09Å; V170-K173 PolarHBondContact O-N 2.94Å; V170-K173 VanDerWaalsContact O-N 3.16Å; Q171-K173 PolarHBondContact O-N 3.49Å; Q171-K173 VanDerWaalsContact O-N 3.1Å
174M95.2Very high92.8Very high111 Ų111114.8 Ų114.855%0.54759%0.591SS.*Hα-helixtrans-97.8-30.2-176-62.8-158.3-56.600112.5R169 Q171R169-M174 HydrophobicContact CB-CE 3.83Å; R169-M174 HydrophobicContact CB-SD 4.27Å; R169-M174 HydrophobicContact CG-CE 4.22Å; R169-M174 HydrophobicContact CG-SD 4.2Å; Q171-M174 PolarHBondContact O-N 3.02Å
175E95.6Very high93.2Very high115 Ų115108.1 Ų108.154%0.53756%0.555SS.*  trans-147.7159-17661-178.4-143.100112.9Q171Q171-E175 HydrophobicContact CG-CG 3.73Å; Q171-E175 WeakPolarHBondContact CG-OE1 3.48Å; Q171-E175 PolarHBondContact NE2-OE1 2.86Å; Q171-E175 PolarHBondContact O-N 3.45Å
176T94.3Very high93.5Very high121 Ų121110.5 Ų110.574%0.74256%0.563SS**  trans-131.9128172.7-560000107.8V178T176-V178 PolarHBondContact O-N 3.22Å
177K93.1Very high93.9Very high133 Ų133110.3 Ų110.358%0.57856%0.558SS**  trans-70.4120.8-179.3-173.8-174.3-74-170.80110.3D180K177-D180 HydrophobicContact CD-CB 4.28Å; K177-D180 IonicContact NZ-OD2 3.17Å; K177-D180 PolarHBondContact NZ-OD2 3.23Å
178V95.4Very high94.3Very high85 Ų85109.7 Ų109.752%0.51556%0.563SS.*  trans-103.5-24179.2-179.50000112.4T176 D236 Q239T176-V178 PolarHBondContact O-N 3.22Å; V178-D236 VanDerWaalsContact CG1-OD1 3.22Å; V178-D236 WeakPolarHBondContact CG1-OD1 3.34Å; V178-Q239 VanDerWaalsContact O-CB 3.29Å; V178-Q239 WeakPolarHBondContact O-CB 3.35Å; V178-Q239 VanDerWaalsContact O-CG 3.27Å; V178-Q239 WeakPolarHBondContact O-CG 3.17Å
179W96.2Very high94.6Very high76 Ų76106.4 Ų106.429%0.28854%0.538SS..  trans-152.3147.4176.2-177.8-99000110.2I190 M235 L238 Y243W179-I190 HydrophobicContact CH2-CD1 4.05Å; W179-I190 HydrophobicContact CH2-CG2 4.4Å; W179-I190 HydrophobicContact CZ2-CD1 3.98Å; W179-M235 HydrophobicContact CD2-CE 3.96Å; W179-M235 HydrophobicContact CE3-CB 4.17Å; W179-M235 HydrophobicContact CE3-CE 3.74Å; W179-M235 HydrophobicContact CE3-SD 4.49Å; W179-M235 HydrophobicContact CH2-CE 3.22Å; W179-M235 HydrophobicContact CH2-SD 3.85Å; W179-M235 HydrophobicContact CZ2-CE 3.47Å; W179-M235 VanDerWaalsContact CZ2-CE 3.47Å; W179-M235 HydrophobicContact CZ3-CB 4.11Å; W179-M235 HydrophobicContact CZ3-CE 3.37Å; W179-M235 HydrophobicContact CZ3-SD 3.77Å; W179-L238 HydrophobicContact CH2-CD1 4.2Å; W179-L238 HydrophobicContact CZ3-CB 4.12Å; W179-L238 HydrophobicContact CZ3-CD1 4.16Å; W179-Y243 HydrophobicContact CD2-CE1 4.48Å; W179-Y243 HydrophobicContact CE3-CE1 4.06Å; W179-Y243 AromaticContact CH2-CE1 3.73Å; W179-Y243 HydrophobicContact CH2-CE1 3.73Å; W179-Y243 HydrophobicContact CZ2-CE1 4.17Å; W179-Y243 AromaticContact CZ3-CE1 3.67Å; W179-Y243 HydrophobicContact CZ3-CE1 3.67Å
180D95.1Very high94.8Very high31 Ų3199.1 Ų99.117%0.16651%0.512CS..  trans-116.2109.5177.6-159.8-43000109.3K177 S182 N183 Y243K177-D180 HydrophobicContact CD-CB 4.28Å; K177-D180 IonicContact NZ-OD2 3.17Å; K177-D180 PolarHBondContact NZ-OD2 3.23Å; D180-S182 PolarHBondContact O-N 2.77Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 PolarHBondContact OD1-N 3.45Å; D180-S182 PolarHBondContact OD1-OG 3.32Å; D180-N183 PolarHBondContact O-N 3.2Å; D180-N183 PolarHBondContact O-ND2 3.2Å; D180-Y243 WeakPolarHBondContact CA-OH 3.36Å; D180-Y243 HydrophobicContact CB-CE2 3.89Å; D180-Y243 WeakPolarHBondContact CB-OH 3.22Å; D180-Y243 PolarHBondContact N-OH 3.1Å; D180-Y243 PolarHBondContact O-OH 3.39Å
181P94.3Very high94.9Very high119 Ų119100.5 Ų100.577%0.77352%0.516SS*.THydrogen-bonded Turntrans-63.2-20.4177-22.433.9000113.9N183P181-N183 VanDerWaalsContact C-N 3.34Å; P181-N183 PolarHBondContact O-N 3.02Å
182S93.3Very high95.1Very high105 Ų105100.7 Ų100.773%0.73452%0.517SS*.THydrogen-bonded Turntrans-97.330.6-177.261.90000113.3D180D180-S182 PolarHBondContact O-N 2.77Å; D180-S182 WeakPolarHBondContact OD1-CA 3.42Å; D180-S182 PolarHBondContact OD1-N 3.45Å; D180-S182 PolarHBondContact OD1-OG 3.32Å
183N92.9Very high95.4Very high32 Ų3292.5 Ų92.517%0.17148%0.479CS..  trans-75.8164.3-178.771.180.5000113.1D180 P181 L185 Y243D180-N183 PolarHBondContact O-N 3.2Å; D180-N183 PolarHBondContact O-ND2 3.2Å; P181-N183 VanDerWaalsContact C-N 3.34Å; P181-N183 PolarHBondContact O-N 3.02Å; N183-L185 VanDerWaalsContact C-N 3.3Å; N183-L185 PolarHBondContact O-N 3.04Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.24Å; N183-L185 PolarHBondContact OD1-N 2.94Å; N183-L185 PolarHBondContact OD1-O 2.7Å; N183-Y243 HydrophobicContact CB-CD1 3.55Å; N183-Y243 HydrophobicContact CB-CD2 3.74Å; N183-Y243 HydrophobicContact CB-CE1 3.5Å; N183-Y243 VanDerWaalsContact CB-CE1 3.5Å; N183-Y243 HydrophobicContact CB-CE2 3.73Å; N183-Y243 HydrophobicContact CB-CG 3.66Å
184Q94.1Very high95.5Very high154 Ų15485.2 Ų85.272%0.7245%0.449SS*.SBendtrans-78.8-5.8-176.165.9-174.92400114.8
185L95.4Very high95.7Very high19 Ų1983.7 Ų83.710%0.09945%0.445CS..  trans-88.2143-176.8-57.2177.3000110.6N183 I190 L238 Y243 L245N183-L185 VanDerWaalsContact C-N 3.3Å; N183-L185 PolarHBondContact O-N 3.04Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.24Å; N183-L185 PolarHBondContact OD1-N 2.94Å; N183-L185 PolarHBondContact OD1-O 2.7Å; L185-I190 HydrophobicContact CB-CD1 4.23Å; L185-I190 HydrophobicContact CB-CG1 3.89Å; L185-I190 HydrophobicContact CD1-CG1 4.2Å; L185-L238 HydrophobicContact CD1-CD1 4.44Å; L185-L238 HydrophobicContact CD1-CD2 4.12Å; L185-Y243 HydrophobicContact CD1-CD1 3.93Å; L185-Y243 HydrophobicContact CG-CD1 4.42Å; L185-L245 HydrophobicContact CD1-CD2 3.98Å; L185-L245 HydrophobicContact CD1-CG 4.47Å; L185-L245 HydrophobicContact CD2-CD1 4.08Å; L185-L245 HydrophobicContact CD2-CD2 4.29Å; L185-L245 HydrophobicContact CD2-CG 3.94Å
186K95.4Very high95.7Very high160 Ų16080.6 Ų80.670%0.69643%0.434SS*.  trans-81.4151.6168.5-61.2178.6-177.81780109.6A188 Q189 I190K186-A188 PolarHBondContact O-N 3.15Å; K186-A188 VanDerWaalsContact O-N 3.1Å; K186-Q189 WeakPolarHBondContact O-CA 3.32Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.03Å; K186-I190 PolarHBondContact O-N 3.47Å
187D95.9Very high95.8Very high127 Ų12775 Ų7568%0.67940%0.4SS*.Hα-helixtrans-49.1-42.1177.2-65.6-5.5000112.6Q189 I190 D191D187-Q189 VanDerWaalsContact C-N 3.28Å; D187-Q189 PolarHBondContact O-N 3.3Å; D187-I190 PolarHBondContact O-N 3.34Å; D187-I190 VanDerWaalsContact O-N 3.12Å; D187-D191 PolarHBondContact O-N 3.42Å
188A97Very high96Very high58 Ų5873 Ų7348%0.47939%0.389SS..Hα-helixtrans-60.1-33.5177.100000113.9K186 Q192K186-A188 PolarHBondContact O-N 3.15Å; K186-A188 VanDerWaalsContact O-N 3.1Å; A188-Q192 WeakPolarHBondContact O-CB 3.4Å; A188-Q192 WeakPolarHBondContact O-CG 3.43Å; A188-Q192 PolarHBondContact O-N 3.11Å; A188-Q192 VanDerWaalsContact O-N 3.08Å
189Q96.8Very high96.1Very high69 Ų6971.8 Ų71.832%0.32239%0.388SS..Hα-helixtrans-75.3-37176.9-64.8175.2-69.400111.3K186 D187 Q192 F193 L245K186-Q189 WeakPolarHBondContact O-CA 3.32Å; K186-Q189 WeakPolarHBondContact O-CB 3.4Å; K186-Q189 PolarHBondContact O-N 3.03Å; D187-Q189 VanDerWaalsContact C-N 3.28Å; D187-Q189 PolarHBondContact O-N 3.3Å; Q189-Q192 PolarHBondContact O-N 3.41Å; Q189-F193 WeakPolarHBondContact O-CB 3.29Å; Q189-F193 PolarHBondContact O-N 3.43Å; Q189-L245 HydrophobicContact CB-CD1 4.27Å
190I96.8Very high96Very high15 Ų1569.1 Ų69.18%0.07738%0.38CS..Hα-helixtrans-64.3-48.1174.8-60.7169.2000109.2W179 L185 K186 D187 Q192 F193 L194 M235 L238W179-I190 HydrophobicContact CH2-CD1 4.05Å; W179-I190 HydrophobicContact CH2-CG2 4.4Å; W179-I190 HydrophobicContact CZ2-CD1 3.98Å; L185-I190 HydrophobicContact CB-CD1 4.23Å; L185-I190 HydrophobicContact CB-CG1 3.89Å; L185-I190 HydrophobicContact CD1-CG1 4.2Å; K186-I190 PolarHBondContact O-N 3.47Å; D187-I190 PolarHBondContact O-N 3.34Å; D187-I190 VanDerWaalsContact O-N 3.12Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 2.89Å; I190-F193 WeakPolarHBondContact O-CB 3.4Å; I190-F193 PolarHBondContact O-N 3.5Å; I190-F193 VanDerWaalsContact O-N 3.08Å; I190-L194 HydrophobicContact CG2-CD1 4.38Å; I190-L194 HydrophobicContact CG2-CG 4.46Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 3.35Å; I190-M235 HydrophobicContact CG2-CE 4.26Å; I190-M235 HydrophobicContact CG2-SD 3.85Å; I190-L238 HydrophobicContact CG2-CD1 4.35Å
191D97.1Very high96Very high99 Ų9967.8 Ų67.853%0.52937%0.373SS..Hα-helixtrans-58.3-44.2176.8-75.1-21.8000112.2D187 F193 L194 V195D187-D191 PolarHBondContact O-N 3.42Å; D191-F193 VanDerWaalsContact C-N 3.33Å; D191-F193 PolarHBondContact O-N 2.93Å; D191-L194 PolarHBondContact O-N 3.37Å; D191-V195 WeakPolarHBondContact O-CG2 3.4Å; D191-V195 PolarHBondContact O-N 2.79Å
192Q97.1Very high96Very high129 Ų12963.3 Ų63.360%0.60334%0.344SS*.Hα-helixtrans-60.3-43.3174.4-76.7171.310.900111.6A188 Q189 I190 L194 V195 V196A188-Q192 WeakPolarHBondContact O-CB 3.4Å; A188-Q192 WeakPolarHBondContact O-CG 3.43Å; A188-Q192 PolarHBondContact O-N 3.11Å; A188-Q192 VanDerWaalsContact O-N 3.08Å; Q189-Q192 PolarHBondContact O-N 3.41Å; I190-Q192 VanDerWaalsContact C-N 3.34Å; I190-Q192 PolarHBondContact O-N 2.89Å; Q192-L194 PolarHBondContact O-N 2.78Å; Q192-V195 WeakPolarHBondContact O-CB 3.2Å; Q192-V195 PolarHBondContact O-N 2.94Å; Q192-V196 WeakPolarHBondContact O-CG2 3.15Å; Q192-V196 PolarHBondContact O-N 3.03Å
193F97.7Very high95.9Very high3 Ų364.1 Ų64.11%0.01333%0.334CS..Hα-helixtrans-63.1-41.3176.5-173.7-96.7000112Q189 I190 D191 V195 V196 A197 A234 T237 L238 L245 A248 M249 L252Q189-F193 WeakPolarHBondContact O-CB 3.29Å; Q189-F193 PolarHBondContact O-N 3.43Å; I190-F193 WeakPolarHBondContact O-CB 3.4Å; I190-F193 PolarHBondContact O-N 3.5Å; I190-F193 VanDerWaalsContact O-N 3.08Å; D191-F193 VanDerWaalsContact C-N 3.33Å; D191-F193 PolarHBondContact O-N 2.93Å; F193-V195 VanDerWaalsContact C-N 3.33Å; F193-V195 PolarHBondContact O-N 3.41Å; F193-V196 PolarHBondContact O-N 3.41Å; F193-A197 PolarHBondContact O-N 3.23Å; F193-A234 HydrophobicContact CD1-CB 4.32Å; F193-A234 HydrophobicContact CE1-CB 3.98Å; F193-A234 WeakPolarHBondContact CE1-O 3.46Å; F193-T237 HydrophobicContact CZ-CG2 4.37Å; F193-L238 HydrophobicContact CD1-CD1 3.68Å; F193-L238 HydrophobicContact CD1-CD2 3.69Å; F193-L238 HydrophobicContact CD1-CG 3.59Å; F193-L238 HydrophobicContact CD2-CD2 4.02Å; F193-L238 HydrophobicContact CE1-CD1 4.19Å; F193-L238 HydrophobicContact CE1-CD2 3.79Å; F193-L238 HydrophobicContact CE1-CG 3.61Å; F193-L238 HydrophobicContact CE2-CD2 4.11Å; F193-L238 HydrophobicContact CG-CD1 4.25Å; F193-L238 HydrophobicContact CG-CD2 3.81Å; F193-L238 HydrophobicContact CG-CG 4.21Å; F193-L238 HydrophobicContact CZ-CD2 4Å; F193-L238 HydrophobicContact CZ-CG 4.24Å; F193-L245 HydrophobicContact CB-CD2 4.17Å; F193-L245 HydrophobicContact CD2-CD2 4.03Å; F193-L245 HydrophobicContact CG-CD2 4.31Å; F193-A248 HydrophobicContact CE2-CB 3.59Å; F193-A248 HydrophobicContact CZ-CB 3.61Å; F193-M249 HydrophobicContact CD2-CG 4.28Å; F193-M249 HydrophobicContact CE2-CG 3.99Å; F193-L252 HydrophobicContact CE1-CD1 4.16Å; F193-L252 HydrophobicContact CE2-CD1 3.87Å; F193-L252 HydrophobicContact CZ-CD1 3.51Å; F193-L252 HydrophobicContact CZ-CG 4.09Å
194L97.8Very high95.9Very high29 Ų2963 Ų6315%0.15233%0.329CS..Hα-helixtrans-63.8-36.4175-65.8-179000112.3I190 D191 Q192 R198 L231 A234 M235I190-L194 HydrophobicContact CG2-CD1 4.38Å; I190-L194 HydrophobicContact CG2-CG 4.46Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 3.35Å; D191-L194 PolarHBondContact O-N 3.37Å; Q192-L194 PolarHBondContact O-N 2.78Å; L194-R198 WeakPolarHBondContact O-CG 2.91Å; L194-R198 PolarHBondContact O-N 2.83Å; L194-R198 VanDerWaalsContact O-N 3.11Å; L194-L231 HydrophobicContact CB-CD2 4.3Å; L194-L231 HydrophobicContact CD2-CD2 4.24Å; L194-A234 HydrophobicContact CD2-CB 3.65Å; L194-M235 HydrophobicContact CD1-SD 4.35Å; L194-M235 HydrophobicContact CD2-CG 4.17Å; L194-M235 HydrophobicContact CD2-SD 3.92Å; L194-M235 HydrophobicContact CG-SD 4.45Å
195V97.5Very high95.7Very high79 Ų7956.5 Ų56.548%0.47930%0.298SS..Hα-helixtrans-63.3-44.8172.2172.20000110.8D191 Q192 F193 R198 A199D191-V195 WeakPolarHBondContact O-CG2 3.4Å; D191-V195 PolarHBondContact O-N 2.79Å; Q192-V195 WeakPolarHBondContact O-CB 3.2Å; Q192-V195 PolarHBondContact O-N 2.94Å; F193-V195 VanDerWaalsContact C-N 3.33Å; F193-V195 PolarHBondContact O-N 3.41Å; V195-R198 PolarHBondContact O-N 3.17Å; V195-A199 PolarHBondContact O-N 3.11Å
196V96.6Very high95.3Very high50 Ų5058.5 Ų58.530%0.30332%0.317SS..Hα-helixtrans-62.2-45.8177.2172.50000111Q192 F193 R198 A199 V200 M249Q192-V196 WeakPolarHBondContact O-CG2 3.15Å; Q192-V196 PolarHBondContact O-N 3.03Å; F193-V196 PolarHBondContact O-N 3.41Å; V196-R198 VanDerWaalsContact C-N 3.3Å; V196-R198 PolarHBondContact O-N 2.97Å; V196-A199 WeakPolarHBondContact O-CB 3.3Å; V196-A199 PolarHBondContact O-N 3.4Å; V196-A199 VanDerWaalsContact O-N 3.09Å; V196-V200 HydrophobicContact CG1-CG2 4.28Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.44Å; V196-M249 HydrophobicContact CB-CE 4.32Å; V196-M249 HydrophobicContact CG1-CE 4.03Å; V196-M249 HydrophobicContact CG2-CE 3.85Å
197A97.1Very high94.8Very high4 Ų455.7 Ų55.73%0.03331%0.309CS..Hα-helixtrans-58.7-40.8177.700000112.3F193 V200 G201 A234 L252F193-A197 PolarHBondContact O-N 3.23Å; A197-V200 PolarHBondContact O-N 3.33Å; A197-G201 PolarHBondContact O-N 2.96Å; A197-A234 HydrophobicContact CB-CB 3.57Å; A197-L252 HydrophobicContact CB-CD1 3.96Å
198R96.9Very high93.9Very high91 Ų9151.7 Ų51.734%0.34329%0.288SS..Hα-helixtrans-65.3-39.4173.7-70.9-172.4-72.6159.7-7.2112.8L194 V195 V196 G201 T202 A225 S226 L231L194-R198 WeakPolarHBondContact O-CG 2.91Å; L194-R198 PolarHBondContact O-N 2.83Å; L194-R198 VanDerWaalsContact O-N 3.11Å; V195-R198 PolarHBondContact O-N 3.17Å; V196-R198 VanDerWaalsContact C-N 3.3Å; V196-R198 PolarHBondContact O-N 2.97Å; R198-G201 PolarHBondContact O-N 2.85Å; R198-T202 WeakPolarHBondContact O-CB 3.12Å; R198-T202 PolarHBondContact O-N 3.45Å; R198-T202 PolarHBondContact O-OG1 3.04Å; R198-A225 WeakPolarHBondContact O-CB 3.37Å; R198-S226 WeakPolarHBondContact CD-OG 3.21Å; R198-L231 HydrophobicContact CG-CD2 4.07Å
199A96.2Very high92.3Very high59 Ų5953.3 Ų53.349%0.48830%0.295SS..Hα-helixtrans-64.2-45.1176.100000111.4V195 V196 G201 T202 F203V195-A199 PolarHBondContact O-N 3.11Å; V196-A199 WeakPolarHBondContact O-CB 3.3Å; V196-A199 PolarHBondContact O-N 3.4Å; V196-A199 VanDerWaalsContact O-N 3.09Å; A199-G201 PolarHBondContact O-N 2.6Å; A199-T202 PolarHBondContact O-N 3.32Å; A199-F203 PolarHBondContact O-N 3.24Å
200V95.6Very high90.5Very high20 Ų2055.1 Ų55.112%0.12132%0.315CS..Hα-helixtrans-58.8-47.4173.8173.10000110.6V196 A197 T202 F203 A204 L252 V253 P258V196-V200 HydrophobicContact CG1-CG2 4.28Å; V196-V200 WeakPolarHBondContact O-CG2 3.39Å; V196-V200 PolarHBondContact O-N 3.44Å; A197-V200 PolarHBondContact O-N 3.33Å; V200-T202 VanDerWaalsContact C-N 3.3Å; V200-T202 PolarHBondContact O-N 3.27Å; V200-F203 PolarHBondContact O-N 3.4Å; V200-A204 WeakPolarHBondContact O-CB 3.42Å; V200-A204 PolarHBondContact O-N 2.97Å; V200-L252 HydrophobicContact CG1-CB 4.45Å; V200-V253 HydrophobicContact CG1-CG2 4.03Å; V200-V253 HydrophobicContact CG2-CG2 3.98Å; V200-P258 HydrophobicContact CG1-CB 3.57Å
201G94.3Very high88.3Confident2 Ų257.5 Ų57.52%0.02133%0.333CS..Hα-helixtrans-64-31.8177.700000113.9A197 R198 A199 R205A197-G201 PolarHBondContact O-N 2.96Å; R198-G201 PolarHBondContact O-N 2.85Å; A199-G201 PolarHBondContact O-N 2.6Å; G201-R205 WeakPolarHBondContact O-CG 3.39Å; G201-R205 PolarHBondContact O-N 3.36Å; G201-R205 PolarHBondContact O-NH1 2.89Å
202T93.7Very high86.2Confident26 Ų2656.1 Ų56.116%0.1633%0.331CS..Hα-helixtrans-70.3-43.4174.6-55.70000110.6R198 A199 V200 R205 A206 L218 A222 A225R198-T202 WeakPolarHBondContact O-CB 3.12Å; R198-T202 PolarHBondContact O-N 3.45Å; R198-T202 PolarHBondContact O-OG1 3.04Å; A199-T202 PolarHBondContact O-N 3.32Å; V200-T202 VanDerWaalsContact C-N 3.3Å; V200-T202 PolarHBondContact O-N 3.27Å; T202-R205 PolarHBondContact O-N 3.29Å; T202-A206 PolarHBondContact O-N 3.46Å; T202-L218 HydrophobicContact CG2-CD1 4.38Å; T202-A222 HydrophobicContact CG2-CB 4.24Å; T202-A225 WeakPolarHBondContact OG1-CB 3.39Å
203F92.4Very high83.9Confident122 Ų12258.7 Ų58.754%0.53535%0.347SS..Hα-helixtrans-66.1-41.9177.1-177-113.4000112A199 V200 R205 A206 L207 P258A199-F203 PolarHBondContact O-N 3.24Å; V200-F203 PolarHBondContact O-N 3.4Å; F203-R205 VanDerWaalsContact C-N 3.31Å; F203-R205 PolarHBondContact O-N 3.15Å; F203-A206 WeakPolarHBondContact O-CB 3.15Å; F203-A206 PolarHBondContact O-N 2.91Å; F203-L207 HydrophobicContact CD1-CD1 4.04Å; F203-L207 HydrophobicContact CE1-CD1 3.51Å; F203-L207 HydrophobicContact CE1-CG 4.22Å; F203-L207 HydrophobicContact CE2-CD2 4.39Å; F203-L207 HydrophobicContact CE2-CG 4.48Å; F203-L207 HydrophobicContact CZ-CD1 3.82Å; F203-L207 HydrophobicContact CZ-CD2 4.13Å; F203-L207 HydrophobicContact CZ-CG 4.16Å; F203-L207 PolarHBondContact O-N 3.02Å; F203-P258 HydrophobicContact CD1-CG 4.01Å; F203-P258 HydrophobicContact CE1-CG 4.44Å
204A92Very high81.8Confident7 Ų768.6 Ų68.66%0.05838%0.384CS..Hα-helixtrans-56.1-43.6176.500000112.3V200 A206 L207 D208 P258 L260V200-A204 WeakPolarHBondContact O-CB 3.42Å; V200-A204 PolarHBondContact O-N 2.97Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 3.39Å; A204-L207 PolarHBondContact O-N 3.34Å; A204-D208 PolarHBondContact O-N 2.86Å; A204-P258 HydrophobicContact CB-CB 3.96Å; A204-P258 HydrophobicContact CB-CG 3.71Å; A204-L260 HydrophobicContact CB-CB 4.11Å; A204-L260 HydrophobicContact CB-CD1 4.14Å
205R89.6Confident79.8Confident19 Ų1974.2 Ų74.27%0.07241%0.41CS..Hα-helixtrans-65.7-30176-70170.6173.878.1-0.6113.4G201 T202 F203 L207 L260 C261 E266G201-R205 WeakPolarHBondContact O-CG 3.39Å; G201-R205 PolarHBondContact O-N 3.36Å; G201-R205 PolarHBondContact O-NH1 2.89Å; T202-R205 PolarHBondContact O-N 3.29Å; F203-R205 VanDerWaalsContact C-N 3.31Å; F203-R205 PolarHBondContact O-N 3.15Å; R205-L207 VanDerWaalsContact C-N 3.29Å; R205-L260 HydrophobicContact CG-CD1 3.42Å; R205-L260 VanDerWaalsContact CG-CD1 3.42Å; R205-C261 PolarHBondContact NH2-O 2.99Å; R205-E266 IonicContact CZ-OE1 3.98Å; R205-E266 IonicContact CZ-OE2 3.95Å; R205-E266 IonicContact NE-OE1 3.49Å; R205-E266 PolarHBondContact NE-OE1 3.19Å; R205-E266 IonicContact NE-OE2 2.84Å; R205-E266 PolarHBondContact NE-OE2 3.09Å; R205-E266 IonicContact NH2-OE1 3.33Å; R205-E266 PolarHBondContact NH2-OE1 3.4Å; R205-E266 IonicContact NH2-OE2 2.68Å; R205-E266 PolarHBondContact NH2-OE2 3.29Å
206A87.3Confident78.4Confident60 Ų6073.7 Ų73.750%0.49641%0.408SS..Hα-helixtrans-72.1-26.8175.900000112.2T202 F203 A204T202-A206 PolarHBondContact O-N 3.46Å; F203-A206 WeakPolarHBondContact O-CB 3.15Å; F203-A206 PolarHBondContact O-N 2.91Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 3.39Å
207L85.9Confident77.7Confident102 Ų10274.6 Ų74.653%0.53442%0.416SS..Hα-helixtrans-85.6-24.3175.3-60.7-179.7000112.9F203 A204 R205 C209 P258F203-L207 HydrophobicContact CD1-CD1 4.04Å; F203-L207 HydrophobicContact CE1-CD1 3.51Å; F203-L207 HydrophobicContact CE1-CG 4.22Å; F203-L207 HydrophobicContact CE2-CD2 4.39Å; F203-L207 HydrophobicContact CE2-CG 4.48Å; F203-L207 HydrophobicContact CZ-CD1 3.82Å; F203-L207 HydrophobicContact CZ-CD2 4.13Å; F203-L207 HydrophobicContact CZ-CG 4.16Å; F203-L207 PolarHBondContact O-N 3.02Å; A204-L207 PolarHBondContact O-N 3.34Å; R205-L207 VanDerWaalsContact C-N 3.29Å; L207-C209 PolarHBondContact O-N 3.48Å; L207-P258 HydrophobicContact CD1-CG 4.06Å
208D76.9Confident77.3Confident42 Ų4281.1 Ų81.123%0.22545%0.45CS..  trans-80.480.1178.2-174.527.9000112.4A204 S210 S211 L260A204-D208 PolarHBondContact O-N 2.86Å; D208-S210 PolarHBondContact O-N 3.33Å; D208-S210 WeakPolarHBondContact OD1-CB 3.32Å; D208-S210 PolarHBondContact OD1-N 2.94Å; D208-S210 PolarHBondContact OD1-OG 3.06Å; D208-S211 PolarHBondContact OD2-OG 3.05Å; D208-L260 HydrophobicContact CB-CD2 4.22Å
209C63.2Low77Confident93 Ų9383.9 Ų83.963%0.62847%0.467SS*.THydrogen-bonded Turntrans-75.1-0.5173.2-70.10000113.7L207L207-C209 PolarHBondContact O-N 3.48Å
210S58.8Low76.6Confident106 Ų10686.7 Ų86.774%0.74147%0.471SS*.THydrogen-bonded Turntrans-80.2-17.3-170.676.10000114.2D208D208-S210 PolarHBondContact O-N 3.33Å; D208-S210 WeakPolarHBondContact OD1-CB 3.32Å; D208-S210 PolarHBondContact OD1-N 2.94Å; D208-S210 PolarHBondContact OD1-OG 3.06Å
211S51.2Low76.4Confident66 Ų6686.2 Ų86.246%0.46247%0.468SS..SBendtrans-116.62.5-16054.30000116.2D208D208-S211 PolarHBondContact OD2-OG 3.05Å
212S52.5Low76.3Confident69 Ų6987.8 Ų87.848%0.48348%0.481SS..  trans-142.8133.9179.4-169.40000116.9R214S212-R214 WeakPolarHBondContact CB-O 3.49Å; S212-R214 PolarHBondContact O-N 2.72Å; S212-R214 VanDerWaalsContact OG-C 3.28Å; S212-R214 PolarHBondContact OG-N 3.23Å; S212-R214 PolarHBondContact OG-O 2.85Å
213I47.8Very low76.3Confident184 Ų18488.8 Ų88.894%0.94449%0.492SS*.SBendtrans-68.2-14.7168.1-66.4166.4000111.7
214R53.7Low76.2Confident210 Ų21083.7 Ų83.779%0.79247%0.473SS*.SBendtrans-139.6120.9171.8-73.9-174.8-177.2-172.71110.3S212 P216S212-R214 WeakPolarHBondContact CB-O 3.49Å; S212-R214 PolarHBondContact O-N 2.72Å; S212-R214 VanDerWaalsContact OG-C 3.28Å; S212-R214 PolarHBondContact OG-N 3.23Å; S212-R214 PolarHBondContact OG-O 2.85Å; R214-P216 WeakPolarHBondContact O-CD 3.49Å
215Q57.5Low76.4Confident147 Ų14783.4 Ų83.469%0.68747%0.47SS*.PPolyproline II helixtrans-52.5120.2174-70-126.1-38.200110.1S217Q215-S217 PolarHBondContact O-N 3.11Å
216P68.1Low76.7Confident69 Ų6984.6 Ų84.645%0.44848%0.481SS..PPolyproline II helixtrans-61.5137.117821.6-28.7000109.1R214 M220 S221R214-P216 WeakPolarHBondContact O-CD 3.49Å; P216-M220 HydrophobicContact CB-CB 4.33Å; P216-S221 WeakPolarHBondContact CG-OG 3.43Å
217S82.1Confident77.1Confident68 Ų6884.7 Ų84.748%0.47647%0.469SS..PPolyproline II helixtrans-58151.6175.567.10000110.4Q215 H219 M220 S221Q215-S217 PolarHBondContact O-N 3.11Å; S217-H219 PolarHBondContact O-N 3.17Å; S217-H219 VanDerWaalsContact O-N 3.11Å; S217-M220 WeakPolarHBondContact O-CA 3.41Å; S217-M220 WeakPolarHBondContact O-CB 3.24Å; S217-M220 PolarHBondContact O-N 3.23Å; S217-M220 VanDerWaalsContact OG-CG 3.24Å; S217-M220 WeakPolarHBondContact OG-CG 3.48Å; S217-M220 PolarHBondContact OG-N 2.81Å; S217-S221 PolarHBondContact O-N 2.88Å
218L88.1Confident77.6Confident141 Ų14184.5 Ų84.574%0.73847%0.469SS*.Hα-helixtrans-47.6-45179.3178.662.3000113.2T202 M220 S221 A222T202-L218 HydrophobicContact CG2-CD1 4.38Å; L218-M220 VanDerWaalsContact C-N 3.34Å; L218-M220 PolarHBondContact O-N 3.49Å; L218-S221 PolarHBondContact O-N 2.69Å; L218-A222 WeakPolarHBondContact O-CB 3.3Å; L218-A222 PolarHBondContact O-N 3.49Å
219H89.4Confident78.6Confident150 Ų15085.3 Ų85.369%0.69447%0.472SS*.Hα-helixtrans-63-38.5179-176.7-81.1000112.6S217 A223S217-H219 PolarHBondContact O-N 3.17Å; S217-H219 VanDerWaalsContact O-N 3.11Å; H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.48Å; H219-A223 PolarHBondContact O-N 2.97Å
220M88.5Confident80.2Confident117 Ų11781.2 Ų81.258%0.57645%0.445SS*.Hα-helixtrans-68.4-42.3177.5-70.2-64.7-62.900111.6P216 S217 L218 A223 A224P216-M220 HydrophobicContact CB-CB 4.33Å; S217-M220 WeakPolarHBondContact O-CA 3.41Å; S217-M220 WeakPolarHBondContact O-CB 3.24Å; S217-M220 PolarHBondContact O-N 3.23Å; S217-M220 VanDerWaalsContact OG-CG 3.24Å; S217-M220 WeakPolarHBondContact OG-CG 3.48Å; S217-M220 PolarHBondContact OG-N 2.81Å; L218-M220 VanDerWaalsContact C-N 3.34Å; L218-M220 PolarHBondContact O-N 3.49Å; M220-A223 PolarHBondContact O-N 3.09Å; M220-A224 WeakPolarHBondContact O-CB 3.23Å; M220-A224 PolarHBondContact O-N 2.89Å
221S90.8Very high82Confident10 Ų1078.4 Ų78.47%0.0742%0.421CS..Hα-helixtrans-65.3-40.6176.4-57.20000112P216 S217 L218 A224 A225P216-S221 WeakPolarHBondContact CG-OG 3.43Å; S217-S221 PolarHBondContact O-N 2.88Å; L218-S221 PolarHBondContact O-N 2.69Å; S221-A224 PolarHBondContact O-N 3.11Å; S221-A225 WeakPolarHBondContact O-CB 3.14Å; S221-A225 PolarHBondContact O-N 2.83Å
222A93.3Very high84.2Confident35 Ų3582 Ų8229%0.28943%0.428SS..Hα-helixtrans-65.6-40175.300000112.2T202 L218 S226T202-A222 HydrophobicContact CG2-CB 4.24Å; L218-A222 WeakPolarHBondContact O-CB 3.3Å; L218-A222 PolarHBondContact O-N 3.49Å; A222-S226 WeakPolarHBondContact O-CB 3.43Å; A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 PolarHBondContact O-OG 3.16Å
223A92.6Very high86.4Confident47 Ų4781.3 Ų81.339%0.38842%0.418SS..Hα-helixtrans-65-42.5174.600000111.7H219 M220 S226 R227H219-A223 VanDerWaalsContact O-CB 3.3Å; H219-A223 WeakPolarHBondContact O-CB 3.48Å; H219-A223 PolarHBondContact O-N 2.97Å; M220-A223 PolarHBondContact O-N 3.09Å; A223-S226 PolarHBondContact O-N 3.41Å; A223-S226 VanDerWaalsContact O-N 3.13Å; A223-R227 PolarHBondContact O-N 3.27Å
224A91.8Very high88.7Confident16 Ų1672.6 Ų72.613%0.13237%0.373CS..Hα-helixtrans-62.2-45.9176.300000111.9M220 S221 S226 R227M220-A224 WeakPolarHBondContact O-CB 3.23Å; M220-A224 PolarHBondContact O-N 2.89Å; S221-A224 PolarHBondContact O-N 3.11Å; A224-S226 PolarHBondContact O-N 3.24Å; A224-R227 WeakPolarHBondContact O-CB 3.12Å; A224-R227 VanDerWaalsContact O-CG 3.32Å; A224-R227 WeakPolarHBondContact O-CG 3.47Å; A224-R227 PolarHBondContact O-N 2.9Å
225A94.8Very high90.8Very high0 Ų064.8 Ų64.80%035%0.346CS..Hα-helixtrans-65.7-19.6174.400000113.6R198 T202 S221 R227 T230R198-A225 WeakPolarHBondContact O-CB 3.37Å; T202-A225 WeakPolarHBondContact OG1-CB 3.39Å; S221-A225 WeakPolarHBondContact O-CB 3.14Å; S221-A225 PolarHBondContact O-N 2.83Å; A225-R227 VanDerWaalsContact C-N 3.33Å; A225-T230 VanDerWaalsContact O-CB 3.28Å; A225-T230 WeakPolarHBondContact O-CB 3.49Å; A225-T230 WeakPolarHBondContact O-CG2 3.33Å; A225-T230 PolarHBondContact O-OG1 3.06Å
226S96.7Very high92.7Very high44 Ų4460 Ų6031%0.30833%0.325SS..THydrogen-bonded Turntrans-86.81.1176.8-59.80000113.9R198 A222 A223 A224R198-S226 WeakPolarHBondContact CD-OG 3.21Å; A222-S226 WeakPolarHBondContact O-CB 3.43Å; A222-S226 PolarHBondContact O-N 3.4Å; A222-S226 PolarHBondContact O-OG 3.16Å; A223-S226 PolarHBondContact O-N 3.41Å; A223-S226 VanDerWaalsContact O-N 3.13Å; A224-S226 PolarHBondContact O-N 3.24Å
227R95.6Very high94Very high62 Ų6256.9 Ų56.923%0.23431%0.305CS..SBendtrans-72154.6177.9-65.5174.364.374.35111.5A223 A224 A225 I229 T230 D263 M309A223-R227 PolarHBondContact O-N 3.27Å; A224-R227 WeakPolarHBondContact O-CB 3.12Å; A224-R227 VanDerWaalsContact O-CG 3.32Å; A224-R227 WeakPolarHBondContact O-CG 3.47Å; A224-R227 PolarHBondContact O-N 2.9Å; A225-R227 VanDerWaalsContact C-N 3.33Å; R227-I229 PolarHBondContact O-N 2.72Å; R227-T230 PolarHBondContact O-N 3.31Å; R227-D263 IonicContact CZ-OD1 3.42Å; R227-D263 IonicContact CZ-OD2 2.7Å; R227-D263 IonicContact NE-OD1 3.1Å; R227-D263 PolarHBondContact NE-OD1 3.34Å; R227-D263 IonicContact NE-OD2 2.69Å; R227-D263 PolarHBondContact NE-OD2 3.38Å; R227-D263 IonicContact NH2-OD1 3.43Å; R227-D263 PolarHBondContact NH2-OD1 3.34Å; R227-D263 IonicContact NH2-OD2 3.46Å; R227-D263 PolarHBondContact NH2-OD2 2.94Å; R227-M309 PolarHBondContact NH2-SD 3.11Å
228D97.2Very high94.7Very high99 Ų9953.6 Ų53.653%0.52928%0.282SS..Hα-helixtrans-56.1-31.9-171.7-60.5-30.7000113.9T230 L231 F232D228-T230 PolarHBondContact O-N 2.96Å; D228-L231 CarbonylContact O-C 3.59Å; D228-L231 PolarHBondContact O-N 2.81Å; D228-F232 HydrophobicContact CB-CD2 4Å; D228-F232 HydrophobicContact CB-CE2 3.9Å; D228-F232 WeakPolarHBondContact O-CD2 3.44Å; D228-F232 PolarHBondContact O-N 3.16Å
229I96.9Very high95.1Very high58 Ų5848.5 Ų48.530%0.29725%0.254SS..Hα-helixtrans-58.1-36.1177.8-167.7171.3000112.6R227 H233 C261 R262 D263R227-I229 PolarHBondContact O-N 2.72Å; I229-H233 VanDerWaalsContact O-CB 3.28Å; I229-H233 WeakPolarHBondContact O-CB 3.45Å; I229-H233 PolarHBondContact O-N 3.36Å; I229-C261 HydrophobicContact CG1-CB 4.43Å; I229-C261 HydrophobicContact CG2-CB 4.43Å; I229-R262 WeakPolarHBondContact CD1-O 3.19Å; I229-D263 HydrophobicContact CB-CB 4.3Å; I229-D263 HydrophobicContact CD1-CB 3.97Å; I229-D263 HydrophobicContact CG2-CB 4.08Å
230T96.8Very high95.4Very high8 Ų848.5 Ų48.55%0.04925%0.252CS..Hα-helixtrans-75.2-36.4177.5-59.10000110.6A225 R227 D228 A234A225-T230 VanDerWaalsContact O-CB 3.28Å; A225-T230 WeakPolarHBondContact O-CB 3.49Å; A225-T230 WeakPolarHBondContact O-CG2 3.33Å; A225-T230 PolarHBondContact O-OG1 3.06Å; R227-T230 PolarHBondContact O-N 3.31Å; D228-T230 PolarHBondContact O-N 2.96Å; T230-A234 WeakPolarHBondContact O-CB 3.43Å; T230-A234 PolarHBondContact O-N 2.68Å
231L97.4Very high95.8Very high47 Ų4744.4 Ų44.425%0.24623%0.233CC..Hα-helixtrans-67.5-47.1176.4-58.9179.6000111.6L194 R198 D228 H233 A234 M235L194-L231 HydrophobicContact CB-CD2 4.3Å; L194-L231 HydrophobicContact CD2-CD2 4.24Å; R198-L231 HydrophobicContact CG-CD2 4.07Å; D228-L231 CarbonylContact O-C 3.59Å; D228-L231 PolarHBondContact O-N 2.81Å; L231-H233 VanDerWaalsContact C-N 3.33Å; L231-H233 PolarHBondContact O-N 2.98Å; L231-A234 WeakPolarHBondContact O-CB 3.49Å; L231-A234 PolarHBondContact O-N 2.9Å; L231-A234 VanDerWaalsContact O-N 3.15Å; L231-M235 VanDerWaalsContact O-CG 3.31Å; L231-M235 WeakPolarHBondContact O-CG 3.48Å; L231-M235 PolarHBondContact O-N 3.1Å
232F97.6Very high96Very high140 Ų14049.8 Ų49.861%0.61426%0.261SS*.Hα-helixtrans-59.7-44.4174.4-77.6-59.6000111.4D228 A234 M235 D236D228-F232 HydrophobicContact CB-CD2 4Å; D228-F232 HydrophobicContact CB-CE2 3.9Å; D228-F232 WeakPolarHBondContact O-CD2 3.44Å; D228-F232 PolarHBondContact O-N 3.16Å; F232-A234 VanDerWaalsContact C-N 3.29Å; F232-A234 PolarHBondContact O-N 3.41Å; F232-M235 PolarHBondContact O-N 3.2Å; F232-D236 WeakPolarHBondContact O-CB 3.39Å; F232-D236 PolarHBondContact O-N 3.05Å
233H97.3Very high96.1Very high56 Ų5649 Ų4926%0.25925%0.25SS..Hα-helixtrans-60.5-39.1175.4-177.769000112.5I229 L231 T237 C261I229-H233 VanDerWaalsContact O-CB 3.28Å; I229-H233 WeakPolarHBondContact O-CB 3.45Å; I229-H233 PolarHBondContact O-N 3.36Å; L231-H233 VanDerWaalsContact C-N 3.33Å; L231-H233 PolarHBondContact O-N 2.98Å; H233-T237 WeakPolarHBondContact O-CB 3.31Å; H233-T237 PolarHBondContact O-N 3.25Å; H233-T237 PolarHBondContact O-OG1 2.94Å; H233-C261 PolarHBondContact CD2-SG 2.85Å
234A97.2Very high96.3Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-64.8-45175.800000111.8F193 L194 A197 T230 L231 F232 T237 L238F193-A234 HydrophobicContact CD1-CB 4.32Å; F193-A234 HydrophobicContact CE1-CB 3.98Å; F193-A234 WeakPolarHBondContact CE1-O 3.46Å; L194-A234 HydrophobicContact CD2-CB 3.65Å; A197-A234 HydrophobicContact CB-CB 3.57Å; T230-A234 WeakPolarHBondContact O-CB 3.43Å; T230-A234 PolarHBondContact O-N 2.68Å; L231-A234 WeakPolarHBondContact O-CB 3.49Å; L231-A234 PolarHBondContact O-N 2.9Å; L231-A234 VanDerWaalsContact O-N 3.15Å; F232-A234 VanDerWaalsContact C-N 3.29Å; F232-A234 PolarHBondContact O-N 3.41Å; A234-T237 WeakPolarHBondContact O-CB 3.33Å; A234-T237 PolarHBondContact O-N 2.78Å; A234-T237 VanDerWaalsContact O-N 3.16Å; A234-L238 PolarHBondContact O-N 2.84Å
235M97.3Very high96.4Very high46 Ų4650.8 Ų50.823%0.22725%0.251CS..Hα-helixtrans-62.6-44176.8-63.6-63.9-83.400111.9W179 I190 L194 L231 F232 T237 L238 Q239W179-M235 HydrophobicContact CD2-CE 3.96Å; W179-M235 HydrophobicContact CE3-CB 4.17Å; W179-M235 HydrophobicContact CE3-CE 3.74Å; W179-M235 HydrophobicContact CE3-SD 4.49Å; W179-M235 HydrophobicContact CH2-CE 3.22Å; W179-M235 HydrophobicContact CH2-SD 3.85Å; W179-M235 HydrophobicContact CZ2-CE 3.47Å; W179-M235 VanDerWaalsContact CZ2-CE 3.47Å; W179-M235 HydrophobicContact CZ3-CB 4.11Å; W179-M235 HydrophobicContact CZ3-CE 3.37Å; W179-M235 HydrophobicContact CZ3-SD 3.77Å; I190-M235 HydrophobicContact CG2-CE 4.26Å; I190-M235 HydrophobicContact CG2-SD 3.85Å; L194-M235 HydrophobicContact CD1-SD 4.35Å; L194-M235 HydrophobicContact CD2-CG 4.17Å; L194-M235 HydrophobicContact CD2-SD 3.92Å; L194-M235 HydrophobicContact CG-SD 4.45Å; L231-M235 VanDerWaalsContact O-CG 3.31Å; L231-M235 WeakPolarHBondContact O-CG 3.48Å; L231-M235 PolarHBondContact O-N 3.1Å; F232-M235 PolarHBondContact O-N 3.2Å; M235-T237 VanDerWaalsContact C-N 3.26Å; M235-T237 PolarHBondContact O-N 2.83Å; M235-L238 WeakPolarHBondContact O-CB 3.43Å; M235-L238 PolarHBondContact O-N 2.92Å; M235-L238 HydrophobicContact SD-CD1 4.43Å; M235-Q239 PolarHBondContact O-N 2.81Å; M235-Q239 VanDerWaalsContact O-N 3.11Å
236D97Very high96.4Very high46 Ų4653.9 Ų53.925%0.24628%0.276CS..Hα-helixtrans-59.9-39173.4-79.59.7000111.7V178 F232 L238 Q239 K240V178-D236 VanDerWaalsContact CG1-OD1 3.22Å; V178-D236 WeakPolarHBondContact CG1-OD1 3.34Å; F232-D236 WeakPolarHBondContact O-CB 3.39Å; F232-D236 PolarHBondContact O-N 3.05Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-Q239 PolarHBondContact O-N 3.06Å; D236-K240 WeakPolarHBondContact O-CB 3.24Å; D236-K240 VanDerWaalsContact O-CG 3.23Å; D236-K240 WeakPolarHBondContact O-CG 3.5Å; D236-K240 PolarHBondContact O-N 2.53Å; D236-K240 IonicContact OD2-NZ 2.76Å
237T96.7Very high96.3Very high4 Ų459.2 Ų59.23%0.02529%0.29CS..Hα-helixtrans-66-37.8179.3-60.80000111.1F193 H233 A234 M235 N241 A248 T251 L252F193-T237 HydrophobicContact CZ-CG2 4.37Å; H233-T237 WeakPolarHBondContact O-CB 3.31Å; H233-T237 PolarHBondContact O-N 3.25Å; H233-T237 PolarHBondContact O-OG1 2.94Å; A234-T237 WeakPolarHBondContact O-CB 3.33Å; A234-T237 PolarHBondContact O-N 2.78Å; A234-T237 VanDerWaalsContact O-N 3.16Å; M235-T237 VanDerWaalsContact C-N 3.26Å; M235-T237 PolarHBondContact O-N 2.83Å; T237-N241 WeakPolarHBondContact O-CB 3.37Å; T237-N241 PolarHBondContact O-N 3.12Å; T237-N241 VanDerWaalsContact O-N 3.17Å; T237-N241 PolarHBondContact O-ND2 2.63Å; T237-A248 HydrophobicContact CG2-CB 4.2Å; T237-T251 HydrophobicContact CG2-CG2 3.96Å; T237-L252 HydrophobicContact CG2-CD2 4.43Å
238L96.8Very high96.3Very high0 Ų056.2 Ų56.20%028%0.279CS..Hα-helixtrans-62.3-51.2172.4-71.4173.4000111.3W179 L185 I190 F193 A234 M235 D236 K240 N241 N242 Y243 L245 A248W179-L238 HydrophobicContact CH2-CD1 4.2Å; W179-L238 HydrophobicContact CZ3-CB 4.12Å; W179-L238 HydrophobicContact CZ3-CD1 4.16Å; L185-L238 HydrophobicContact CD1-CD1 4.44Å; L185-L238 HydrophobicContact CD1-CD2 4.12Å; I190-L238 HydrophobicContact CG2-CD1 4.35Å; F193-L238 HydrophobicContact CD1-CD1 3.68Å; F193-L238 HydrophobicContact CD1-CD2 3.69Å; F193-L238 HydrophobicContact CD1-CG 3.59Å; F193-L238 HydrophobicContact CD2-CD2 4.02Å; F193-L238 HydrophobicContact CE1-CD1 4.19Å; F193-L238 HydrophobicContact CE1-CD2 3.79Å; F193-L238 HydrophobicContact CE1-CG 3.61Å; F193-L238 HydrophobicContact CE2-CD2 4.11Å; F193-L238 HydrophobicContact CG-CD1 4.25Å; F193-L238 HydrophobicContact CG-CD2 3.81Å; F193-L238 HydrophobicContact CG-CG 4.21Å; F193-L238 HydrophobicContact CZ-CD2 4Å; F193-L238 HydrophobicContact CZ-CG 4.24Å; A234-L238 PolarHBondContact O-N 2.84Å; M235-L238 WeakPolarHBondContact O-CB 3.43Å; M235-L238 PolarHBondContact O-N 2.92Å; M235-L238 HydrophobicContact SD-CD1 4.43Å; D236-L238 VanDerWaalsContact C-N 3.34Å; L238-K240 PolarHBondContact O-N 3.26Å; L238-N241 CarbonylContact O-C 3.49Å; L238-N241 PolarHBondContact O-N 3.11Å; L238-N242 PolarHBondContact O-N 3.41Å; L238-Y243 HydrophobicContact CB-CD1 4.27Å; L238-Y243 HydrophobicContact CB-CE1 4.47Å; L238-Y243 PolarHBondContact O-N 3.36Å; L238-L245 HydrophobicContact CD2-CD2 3.83Å; L238-A248 HydrophobicContact CD2-CB 3.97Å
239Q96.1Very high96.2Very high34 Ų3455.6 Ų55.616%0.15927%0.274CS..Hα-helixtrans-58.6-47.8179172.170.519.800111.5V178 M235 D236 N241 N242 Y243V178-Q239 VanDerWaalsContact O-CB 3.29Å; V178-Q239 WeakPolarHBondContact O-CB 3.35Å; V178-Q239 VanDerWaalsContact O-CG 3.27Å; V178-Q239 WeakPolarHBondContact O-CG 3.17Å; M235-Q239 PolarHBondContact O-N 2.81Å; M235-Q239 VanDerWaalsContact O-N 3.11Å; D236-Q239 PolarHBondContact O-N 3.06Å; Q239-N241 PolarHBondContact O-N 3Å; Q239-N242 PolarHBondContact O-N 3.4Å; Q239-Y243 VanDerWaalsContact OE1-CE2 3.24Å; Q239-Y243 PolarHBondContact OE1-OH 3.38Å
240K95.7Very high96Very high150 Ų15056.8 Ų56.865%0.65229%0.287SS*.Hα-helixtrans-64.2-25.5-178.9-73.7169.2-176.1163.80113.1D236 L238D236-K240 WeakPolarHBondContact O-CB 3.24Å; D236-K240 VanDerWaalsContact O-CG 3.23Å; D236-K240 WeakPolarHBondContact O-CG 3.5Å; D236-K240 PolarHBondContact O-N 2.53Å; D236-K240 IonicContact OD2-NZ 2.76Å; L238-K240 PolarHBondContact O-N 3.26Å
241N96Very high95.9Very high31 Ų3159.1 Ų59.117%0.16630%0.301CS..THydrogen-bonded Turntrans-97.518.8175.9-73.8-78.4000112.9T237 L238 Q239 Y243 D244 R247 A248 T251T237-N241 WeakPolarHBondContact O-CB 3.37Å; T237-N241 PolarHBondContact O-N 3.12Å; T237-N241 VanDerWaalsContact O-N 3.17Å; T237-N241 PolarHBondContact O-ND2 2.63Å; L238-N241 CarbonylContact O-C 3.49Å; L238-N241 PolarHBondContact O-N 3.11Å; Q239-N241 PolarHBondContact O-N 3Å; N241-Y243 PolarHBondContact O-N 3.03Å; N241-D244 WeakPolarHBondContact O-CB 3.43Å; N241-D244 PolarHBondContact O-N 3.44Å; N241-D244 VanDerWaalsContact O-N 3.08Å; N241-R247 HydrophobicContact CB-CB 4.22Å; N241-A248 HydrophobicContact CB-CB 4.11Å; N241-T251 PolarHBondContact ND2-OG1 2.65Å; N241-T251 PolarHBondContact OD1-OG1 3.37Å
242N95.3Very high95.8Very high122 Ų12257.2 Ų57.265%0.65229%0.291SS*.THydrogen-bonded Turntrans51.936.9-179.5-59.5-42.1000113.1L238 Q239 D244L238-N242 PolarHBondContact O-N 3.41Å; Q239-N242 PolarHBondContact O-N 3.4Å; N242-D244 PolarHBondContact O-N 2.94Å
243Y96.3Very high95.6Very high18 Ų1854.2 Ų54.27%0.07128%0.284CS..THydrogen-bonded Turntrans61.821.9-180-55.6-85.6000115.1W179 D180 N183 L185 L238 Q239 N241 L245W179-Y243 HydrophobicContact CD2-CE1 4.48Å; W179-Y243 HydrophobicContact CE3-CE1 4.06Å; W179-Y243 AromaticContact CH2-CE1 3.73Å; W179-Y243 HydrophobicContact CH2-CE1 3.73Å; W179-Y243 HydrophobicContact CZ2-CE1 4.17Å; W179-Y243 AromaticContact CZ3-CE1 3.67Å; W179-Y243 HydrophobicContact CZ3-CE1 3.67Å; D180-Y243 WeakPolarHBondContact CA-OH 3.36Å; D180-Y243 HydrophobicContact CB-CE2 3.89Å; D180-Y243 WeakPolarHBondContact CB-OH 3.22Å; D180-Y243 PolarHBondContact N-OH 3.1Å; D180-Y243 PolarHBondContact O-OH 3.39Å; N183-Y243 HydrophobicContact CB-CD1 3.55Å; N183-Y243 HydrophobicContact CB-CD2 3.74Å; N183-Y243 HydrophobicContact CB-CE1 3.5Å; N183-Y243 VanDerWaalsContact CB-CE1 3.5Å; N183-Y243 HydrophobicContact CB-CE2 3.73Å; N183-Y243 HydrophobicContact CB-CG 3.66Å; L185-Y243 HydrophobicContact CD1-CD1 3.93Å; L185-Y243 HydrophobicContact CG-CD1 4.42Å; L238-Y243 HydrophobicContact CB-CD1 4.27Å; L238-Y243 HydrophobicContact CB-CE1 4.47Å; L238-Y243 PolarHBondContact O-N 3.36Å; Q239-Y243 VanDerWaalsContact OE1-CE2 3.24Å; Q239-Y243 PolarHBondContact OE1-OH 3.38Å; N241-Y243 PolarHBondContact O-N 3.03Å; Y243-L245 PolarHBondContact O-N 3.01Å
244D96.1Very high95.2Very high54 Ų5454.4 Ų54.429%0.28929%0.29SS..  trans-83107.3168-177.8-20000109.9N241 N242 A246 R247 A248N241-D244 WeakPolarHBondContact O-CB 3.43Å; N241-D244 PolarHBondContact O-N 3.44Å; N241-D244 VanDerWaalsContact O-N 3.08Å; N242-D244 PolarHBondContact O-N 2.94Å; D244-A246 VanDerWaalsContact C-N 3.31Å; D244-A246 PolarHBondContact O-N 2.97Å; D244-A246 PolarHBondContact OD1-N 2.83Å; D244-R247 HydrophobicContact CB-CB 4.12Å; D244-R247 HydrophobicContact CB-CG 4.28Å; D244-R247 PolarHBondContact O-N 2.66Å; D244-R247 PolarHBondContact OD1-N 3.36Å; D244-R247 VanDerWaalsContact OD2-CD 3.23Å; D244-R247 WeakPolarHBondContact OD2-CD 3.18Å; D244-R247 VanDerWaalsContact OD2-CG 3.32Å; D244-R247 WeakPolarHBondContact OD2-CG 3.19Å; D244-R247 IonicContact OD2-CZ 2.82Å; D244-R247 IonicContact OD2-NE 2.67Å; D244-R247 PolarHBondContact OD2-NE 3.09Å; D244-A248 VanDerWaalsContact O-CB 3.26Å; D244-A248 WeakPolarHBondContact O-CB 3.35Å; D244-A248 PolarHBondContact O-N 2.72Å
245L94.5Very high94.4Very high48 Ų4864.6 Ų64.625%0.25134%0.338SS..Hα-helixtrans-59.2-38.3-177.9-68.4174000113L185 Q189 F193 L238 Y243 A248 M249L185-L245 HydrophobicContact CD1-CD2 3.98Å; L185-L245 HydrophobicContact CD1-CG 4.47Å; L185-L245 HydrophobicContact CD2-CD1 4.08Å; L185-L245 HydrophobicContact CD2-CD2 4.29Å; L185-L245 HydrophobicContact CD2-CG 3.94Å; Q189-L245 HydrophobicContact CB-CD1 4.27Å; F193-L245 HydrophobicContact CB-CD2 4.17Å; F193-L245 HydrophobicContact CD2-CD2 4.03Å; F193-L245 HydrophobicContact CG-CD2 4.31Å; L238-L245 HydrophobicContact CD2-CD2 3.83Å; Y243-L245 PolarHBondContact O-N 3.01Å; L245-A248 PolarHBondContact O-N 2.93Å; L245-M249 WeakPolarHBondContact O-CB 3.39Å; L245-M249 VanDerWaalsContact O-CG 3.28Å; L245-M249 WeakPolarHBondContact O-CG 3.4Å; L245-M249 PolarHBondContact O-N 3.18Å
246A94Very high93.4Very high64 Ų6466.5 Ų66.553%0.52937%0.37SS..Hα-helixtrans-70.9-41.3-176.500000111.2D244 S250D244-A246 VanDerWaalsContact C-N 3.31Å; D244-A246 PolarHBondContact O-N 2.97Å; D244-A246 PolarHBondContact OD1-N 2.83Å; A246-S250 PolarHBondContact O-N 2.91Å; A246-S250 VanDerWaalsContact O-N 3.1Å; A246-S250 PolarHBondContact O-OG 3.4Å
247R95.2Very high92.9Very high156 Ų15665.8 Ų65.859%0.58937%0.373SS*.Hα-helixtrans-67.4-41.8173.8-70.3-178.8-177.1178.70.9111.9N241 D244 M249 S250 T251N241-R247 HydrophobicContact CB-CB 4.22Å; D244-R247 HydrophobicContact CB-CB 4.12Å; D244-R247 HydrophobicContact CB-CG 4.28Å; D244-R247 PolarHBondContact O-N 2.66Å; D244-R247 PolarHBondContact OD1-N 3.36Å; D244-R247 VanDerWaalsContact OD2-CD 3.23Å; D244-R247 WeakPolarHBondContact OD2-CD 3.18Å; D244-R247 VanDerWaalsContact OD2-CG 3.32Å; D244-R247 WeakPolarHBondContact OD2-CG 3.19Å; D244-R247 IonicContact OD2-CZ 2.82Å; D244-R247 IonicContact OD2-NE 2.67Å; D244-R247 PolarHBondContact OD2-NE 3.09Å; R247-M249 PolarHBondContact O-N 3.45Å; R247-S250 PolarHBondContact O-N 2.86Å; R247-T251 PolarHBondContact O-N 3.1Å; R247-T251 PolarHBondContact O-OG1 3.35Å
248A95.8Very high92.7Very high0 Ų067 Ų670%038%0.381CS..Hα-helixtrans-61.9-43.4176.600000111.7F193 T237 L238 N241 D244 L245 S250 T251 L252F193-A248 HydrophobicContact CE2-CB 3.59Å; F193-A248 HydrophobicContact CZ-CB 3.61Å; T237-A248 HydrophobicContact CG2-CB 4.2Å; L238-A248 HydrophobicContact CD2-CB 3.97Å; N241-A248 HydrophobicContact CB-CB 4.11Å; D244-A248 VanDerWaalsContact O-CB 3.26Å; D244-A248 WeakPolarHBondContact O-CB 3.35Å; D244-A248 PolarHBondContact O-N 2.72Å; L245-A248 PolarHBondContact O-N 2.93Å; A248-S250 PolarHBondContact O-N 2.81Å; A248-T251 WeakPolarHBondContact O-CB 3.23Å; A248-T251 PolarHBondContact O-N 3.01Å; A248-T251 VanDerWaalsContact O-N 3.13Å; A248-L252 PolarHBondContact O-N 3.07Å
249M93.8Very high92.5Very high86 Ų8669 Ų6942%0.42439%0.393SS..Hα-helixtrans-61-43.1174.5-79.6179154.400112.5F193 V196 L245 R247 T251 L252 V253F193-M249 HydrophobicContact CD2-CG 4.28Å; F193-M249 HydrophobicContact CE2-CG 3.99Å; V196-M249 HydrophobicContact CB-CE 4.32Å; V196-M249 HydrophobicContact CG1-CE 4.03Å; V196-M249 HydrophobicContact CG2-CE 3.85Å; L245-M249 WeakPolarHBondContact O-CB 3.39Å; L245-M249 VanDerWaalsContact O-CG 3.28Å; L245-M249 WeakPolarHBondContact O-CG 3.4Å; L245-M249 PolarHBondContact O-N 3.18Å; R247-M249 PolarHBondContact O-N 3.45Å; M249-T251 PolarHBondContact O-N 2.78Å; M249-L252 PolarHBondContact O-N 2.84Å; M249-L252 VanDerWaalsContact O-N 3.12Å; M249-V253 PolarHBondContact O-N 2.84Å
250S93.4Very high92.3Very high83 Ų8370 Ų7058%0.5840%0.4SS*.Hα-helixtrans-62.6-29.3176.3-56.10000112.2A246 R247 A248 V253A246-S250 PolarHBondContact O-N 2.91Å; A246-S250 VanDerWaalsContact O-N 3.1Å; A246-S250 PolarHBondContact O-OG 3.4Å; R247-S250 PolarHBondContact O-N 2.86Å; A248-S250 PolarHBondContact O-N 2.81Å; S250-V253 CarbonylContact O-C 3.3Å; S250-V253 VanDerWaalsContact O-C 3.3Å
251T94.8Very high92.2Very high57 Ų5763.8 Ų63.835%0.3538%0.375SS..Hα-helixtrans-74.2-30.3176.1-52.70000112.5T237 N241 R247 A248 M249 V253 P254T237-T251 HydrophobicContact CG2-CG2 3.96Å; N241-T251 PolarHBondContact ND2-OG1 2.65Å; N241-T251 PolarHBondContact OD1-OG1 3.37Å; R247-T251 PolarHBondContact O-N 3.1Å; R247-T251 PolarHBondContact O-OG1 3.35Å; A248-T251 WeakPolarHBondContact O-CB 3.23Å; A248-T251 PolarHBondContact O-N 3.01Å; A248-T251 VanDerWaalsContact O-N 3.13Å; M249-T251 PolarHBondContact O-N 2.78Å; T251-V253 VanDerWaalsContact C-N 3.31Å; T251-P254 VanDerWaalsContact O-CD 3.31Å; T251-P254 WeakPolarHBondContact O-CD 3.5Å; T251-P254 WeakPolarHBondContact O-CG 3.34Å
252L94.3Very high92Very high7 Ų765.8 Ų65.84%0.03738%0.38CS..Hα-helixtrans-72.5-24.6175.7-68.4177.7000112.8F193 A197 V200 T237 A248 M249 V259F193-L252 HydrophobicContact CE1-CD1 4.16Å; F193-L252 HydrophobicContact CE2-CD1 3.87Å; F193-L252 HydrophobicContact CZ-CD1 3.51Å; F193-L252 HydrophobicContact CZ-CG 4.09Å; A197-L252 HydrophobicContact CB-CD1 3.96Å; V200-L252 HydrophobicContact CG1-CB 4.45Å; T237-L252 HydrophobicContact CG2-CD2 4.43Å; A248-L252 PolarHBondContact O-N 3.07Å; M249-L252 PolarHBondContact O-N 2.84Å; M249-L252 VanDerWaalsContact O-N 3.12Å; L252-V259 WeakPolarHBondContact O-CG2 3.19Å; L252-V259 PolarHBondContact O-N 2.92Å
253V93.3Very high92Very high76 Ų7660.2 Ų60.246%0.46135%0.35SS..SBendtrans-129.273.3176.1-166.40000110.7V200 M249 S250 T251V200-V253 HydrophobicContact CG1-CG2 4.03Å; V200-V253 HydrophobicContact CG2-CG2 3.98Å; M249-V253 PolarHBondContact O-N 2.84Å; S250-V253 CarbonylContact O-C 3.3Å; S250-V253 VanDerWaalsContact O-C 3.3Å; T251-V253 VanDerWaalsContact C-N 3.31Å
254P90.1Very high91.9Very high60 Ų6061 Ų6139%0.3935%0.354SS..  trans-60.3166.7172-21.733.5000112.1T251 G256 G257 V259T251-P254 VanDerWaalsContact O-CD 3.31Å; T251-P254 WeakPolarHBondContact O-CD 3.5Å; T251-P254 WeakPolarHBondContact O-CG 3.34Å; P254-G256 PolarHBondContact O-N 2.86Å; P254-G257 WeakPolarHBondContact CD-O 3.38Å; P254-G257 PolarHBondContact O-N 2.87Å; P254-V259 HydrophobicContact CG-CG2 4.24Å
255Q80.6Confident91.7Very high214 Ų21461.1 Ų61.1100%135%0.354SS*.THydrogen-bonded Turntrans-57.8-18.3-179.8-62.3-174.214.800114.2
256G75.8Confident91.5Very high87 Ų8761.6 Ų61.690%0.89736%0.355SS*.THydrogen-bonded Turntrans-87.40.1176.300000115.7P254P254-G256 PolarHBondContact O-N 2.86Å
257G86.4Confident91.3Very high31 Ų3162.9 Ų62.932%0.3235%0.35SS..  trans116.6173-178.300000113.6P254P254-G257 WeakPolarHBondContact CD-O 3.38Å; P254-G257 PolarHBondContact O-N 2.87Å
258P92.8Very high91.2Very high28 Ų2856.3 Ų56.318%0.18233%0.325CS..  trans-67.1145.3-176.730.5-37.9000112.5V200 F203 A204 L207V200-P258 HydrophobicContact CG1-CB 3.57Å; F203-P258 HydrophobicContact CD1-CG 4.01Å; F203-P258 HydrophobicContact CE1-CG 4.44Å; A204-P258 HydrophobicContact CB-CB 3.96Å; A204-P258 HydrophobicContact CB-CG 3.71Å; L207-P258 HydrophobicContact CD1-CG 4.06Å
259V91.8Very high90.9Very high43 Ų4358.6 Ų58.626%0.26134%0.341SS..  trans-69.9134.8177.8177.30000111.1L252 P254L252-V259 WeakPolarHBondContact O-CG2 3.19Å; L252-V259 PolarHBondContact O-N 2.92Å; P254-V259 HydrophobicContact CG-CG2 4.24Å
260L91.5Very high90.6Very high56 Ų5658.3 Ų58.329%0.29335%0.352SS..  trans-115.4110.4177.3-179.260.9000111.1A204 R205 D208 R262A204-L260 HydrophobicContact CB-CB 4.11Å; A204-L260 HydrophobicContact CB-CD1 4.14Å; R205-L260 HydrophobicContact CG-CD1 3.42Å; R205-L260 VanDerWaalsContact CG-CD1 3.42Å; D208-L260 HydrophobicContact CB-CD2 4.22Å; L260-R262 HydrophobicContact CD1-CG 4.23Å; L260-R262 HydrophobicContact CD2-CG 4.45Å; L260-R262 HydrophobicContact CG-CG 4.09Å
261C93.6Very high90.6Very high19 Ų1957.9 Ų57.913%0.12835%0.349CS..  trans-102.6117.2174-55.10000110R205 I229 H233R205-C261 PolarHBondContact NH2-O 2.99Å; I229-C261 HydrophobicContact CG1-CB 4.43Å; I229-C261 HydrophobicContact CG2-CB 4.43Å; H233-C261 PolarHBondContact CD2-SG 2.85Å
262R92.8Very high90.6Very high73 Ų7356.4 Ų56.428%0.27534%0.339SS..  trans-120.1135.7174.7-62.2-173.9-67.7170.70.5109I229 L260 E266 E267I229-R262 WeakPolarHBondContact CD1-O 3.19Å; L260-R262 HydrophobicContact CD1-CG 4.23Å; L260-R262 HydrophobicContact CD2-CG 4.45Å; L260-R262 HydrophobicContact CG-CG 4.09Å; R262-E266 HydrophobicContact CB-CB 4.33Å; R262-E266 HydrophobicContact CB-CG 4.46Å; R262-E266 HydrophobicContact CG-CG 4.22Å; R262-E267 HydrophobicContact CB-CB 4.38Å
263D94.3Very high90.5Very high5 Ų557.3 Ų57.33%0.02735%0.347CS..  trans-90.1172.9168.259.130.1000110.4R227 I229 M265 E266 E267R227-D263 IonicContact CZ-OD1 3.42Å; R227-D263 IonicContact CZ-OD2 2.7Å; R227-D263 IonicContact NE-OD1 3.1Å; R227-D263 PolarHBondContact NE-OD1 3.34Å; R227-D263 IonicContact NE-OD2 2.69Å; R227-D263 PolarHBondContact NE-OD2 3.38Å; R227-D263 IonicContact NH2-OD1 3.43Å; R227-D263 PolarHBondContact NH2-OD1 3.34Å; R227-D263 IonicContact NH2-OD2 3.46Å; R227-D263 PolarHBondContact NH2-OD2 2.94Å; I229-D263 HydrophobicContact CB-CB 4.3Å; I229-D263 HydrophobicContact CD1-CB 3.97Å; I229-D263 HydrophobicContact CG2-CB 4.08Å; D263-M265 PolarHBondContact O-N 3.07Å; D263-M265 WeakPolarHBondContact OD1-CB 3.49Å; D263-M265 PolarHBondContact OD1-N 2.9Å; D263-E266 PolarHBondContact O-N 3.05Å; D263-E266 PolarHBondContact OD1-N 2.82Å; D263-E267 WeakPolarHBondContact O-CB 3.42Å; D263-E267 PolarHBondContact O-N 3.43Å
264E94.2Very high90.5Very high33 Ų3359 Ų5915%0.15435%0.351CS..Hα-helixtrans-54.7-31.5-177.6-62.5-70.4174.500112.7E266 W268 S302 Q305 F306E264-E266 VanDerWaalsContact C-N 3.32Å; E264-E266 PolarHBondContact O-N 2.86Å; E264-W268 VanDerWaalsContact O-CG 3.28Å; E264-W268 PolarHBondContact O-N 2.96Å; E264-W268 PolarHBondContact OE2-NE1 3.06Å; E264-S302 WeakPolarHBondContact OE1-CB 3.49Å; E264-S302 WeakPolarHBondContact OE2-CB 3.34Å; E264-Q305 HydrophobicContact CB-CG 4.37Å; E264-Q305 HydrophobicContact CG-CB 4.17Å; E264-Q305 HydrophobicContact CG-CG 4.01Å; E264-F306 HydrophobicContact CB-CB 4.21Å; E264-F306 WeakPolarHBondContact O-CD2 3.39Å
265M91.9Very high90.8Very high58 Ų5858.6 Ų58.629%0.28635%0.345SS..Hα-helixtrans-64.6-38.3179.4-177.264.2-156.600112.3D263 F306 M309 W310 T313D263-M265 PolarHBondContact O-N 3.07Å; D263-M265 WeakPolarHBondContact OD1-CB 3.49Å; D263-M265 PolarHBondContact OD1-N 2.9Å; M265-F306 HydrophobicContact SD-CE2 4.01Å; M265-F306 HydrophobicContact SD-CZ 4.37Å; M265-M309 HydrophobicContact CB-CB 3.75Å; M265-M309 HydrophobicContact CB-CG 4.31Å; M265-M309 HydrophobicContact CG-CB 4.2Å; M265-M309 HydrophobicContact SD-CB 4.32Å; M265-W310 HydrophobicContact SD-CB 4.27Å; M265-T313 HydrophobicContact CE-CG2 3.39Å; M265-T313 HydrophobicContact SD-CG2 4.23Å
266E90.4Very high91.6Very high57 Ų5748.4 Ų48.427%0.26630%0.298SS..Hα-helixtrans-88.8-32.1179.5-173.1-175.8172.800112.6R205 R262 D263 E264 W268R205-E266 IonicContact CZ-OE1 3.98Å; R205-E266 IonicContact CZ-OE2 3.95Å; R205-E266 IonicContact NE-OE1 3.49Å; R205-E266 PolarHBondContact NE-OE1 3.19Å; R205-E266 IonicContact NE-OE2 2.84Å; R205-E266 PolarHBondContact NE-OE2 3.09Å; R205-E266 IonicContact NH2-OE1 3.33Å; R205-E266 PolarHBondContact NH2-OE1 3.4Å; R205-E266 IonicContact NH2-OE2 2.68Å; R205-E266 PolarHBondContact NH2-OE2 3.29Å; R262-E266 HydrophobicContact CB-CB 4.33Å; R262-E266 HydrophobicContact CB-CG 4.46Å; R262-E266 HydrophobicContact CG-CG 4.22Å; D263-E266 PolarHBondContact O-N 3.05Å; D263-E266 PolarHBondContact OD1-N 2.82Å; E264-E266 VanDerWaalsContact C-N 3.32Å; E264-E266 PolarHBondContact O-N 2.86Å; E266-W268 VanDerWaalsContact C-N 3.34Å; E266-W268 PolarHBondContact O-N 2.67Å
267E90.9Very high92.4Very high92 Ų9245.6 Ų45.643%0.4326%0.261SS..Hα-helixtrans-72.8-26.3-175.6-174.8167.5-15400113.2R262 D263R262-E267 HydrophobicContact CB-CB 4.38Å; D263-E267 WeakPolarHBondContact O-CB 3.42Å; D263-E267 PolarHBondContact O-N 3.43Å
268W92.1Very high92.8Very high18 Ų1849 Ų497%0.06827%0.269CS..SBendtrans-72.1138.9-178.2-76.337.2000112.4E264 E266 E272 F276 L295 K298 V303 F306E264-W268 VanDerWaalsContact O-CG 3.28Å; E264-W268 PolarHBondContact O-N 2.96Å; E264-W268 PolarHBondContact OE2-NE1 3.06Å; E266-W268 VanDerWaalsContact C-N 3.34Å; E266-W268 PolarHBondContact O-N 2.67Å; W268-E272 HydrophobicContact CB-CB 4.46Å; W268-E272 HydrophobicContact CD2-CB 4.37Å; W268-E272 HydrophobicContact CE3-CB 3.81Å; W268-F276 HydrophobicContact CH2-CD2 4.34Å; W268-F276 HydrophobicContact CZ3-CB 3.94Å; W268-F276 HydrophobicContact CZ3-CD2 4.24Å; W268-F276 HydrophobicContact CZ3-CG 4.26Å; W268-L295 HydrophobicContact CH2-CD1 3.63Å; W268-L295 HydrophobicContact CZ3-CD1 3.51Å; W268-K298 HydrophobicContact CH2-CG 4.49Å; W268-K298 HydrophobicContact CZ2-CD 4.12Å; W268-K298 HydrophobicContact CZ2-CG 4.18Å; W268-V303 HydrophobicContact CH2-CB 4.47Å; W268-V303 HydrophobicContact CH2-CG2 4.04Å; W268-V303 HydrophobicContact CZ2-CG2 4.3Å; W268-F306 HydrophobicContact CB-CD2 4.21Å; W268-F306 HydrophobicContact CB-CE2 3.83Å; W268-F306 HydrophobicContact CD2-CB 4.36Å; W268-F306 HydrophobicContact CD2-CD1 4.38Å; W268-F306 AromaticContact CD2-CD2 3.49Å; W268-F306 HydrophobicContact CD2-CD2 3.49Å; W268-F306 VanDerWaalsContact CD2-CD2 3.49Å; W268-F306 AromaticContact CD2-CE2 3.79Å; W268-F306 HydrophobicContact CD2-CE2 3.79Å; W268-F306 AromaticContact CD2-CG 3.82Å; W268-F306 HydrophobicContact CD2-CG 3.82Å; W268-F306 HydrophobicContact CD2-CZ 4.35Å; W268-F306 AromaticContact CE2-CD2 3.77Å; W268-F306 AromaticContact CE2-CG 3.82Å; W268-F306 AromaticContact CE3-CD1 3.94Å; W268-F306 HydrophobicContact CE3-CD1 3.94Å; W268-F306 AromaticContact CE3-CD2 3.81Å; W268-F306 HydrophobicContact CE3-CD2 3.81Å; W268-F306 AromaticContact CE3-CE1 3.98Å; W268-F306 HydrophobicContact CE3-CE1 3.98Å; W268-F306 AromaticContact CE3-CE2 3.85Å; W268-F306 HydrophobicContact CE3-CE2 3.85Å; W268-F306 AromaticContact CE3-CG 3.86Å; W268-F306 HydrophobicContact CE3-CG 3.86Å; W268-F306 AromaticContact CE3-CZ 3.94Å; W268-F306 HydrophobicContact CE3-CZ 3.94Å; W268-F306 AromaticContact CG-CD2 3.7Å; W268-F306 HydrophobicContact CG-CD2 3.7Å; W268-F306 AromaticContact CG-CE2 3.82Å; W268-F306 HydrophobicContact CG-CE2 3.82Å; W268-F306 HydrophobicContact CG-CG 4.48Å; W268-F306 HydrophobicContact CH2-CB 3.91Å; W268-F306 AromaticContact CH2-CD1 3.99Å; W268-F306 HydrophobicContact CH2-CD1 3.99Å; W268-F306 AromaticContact CH2-CG 3.89Å; W268-F306 HydrophobicContact CH2-CG 3.89Å; W268-F306 HydrophobicContact CZ2-CB 3.59Å; W268-F306 HydrophobicContact CZ2-CD1 4.43Å; W268-F306 HydrophobicContact CZ2-CD2 4.3Å; W268-F306 AromaticContact CZ2-CG 3.86Å; W268-F306 HydrophobicContact CZ2-CG 3.86Å; W268-F306 HydrophobicContact CZ3-CB 4.43Å; W268-F306 AromaticContact CZ3-CD1 3.75Å; W268-F306 HydrophobicContact CZ3-CD1 3.75Å; W268-F306 HydrophobicContact CZ3-CD2 4.33Å; W268-F306 HydrophobicContact CZ3-CE1 4.05Å; W268-F306 AromaticContact CZ3-CG 3.9Å; W268-F306 HydrophobicContact CZ3-CG 3.9Å; W268-F306 HydrophobicContact CZ3-CZ 4.48Å
269S90.3Very high93Very high47 Ų4747.7 Ų47.733%0.32926%0.26SS..  trans-69.1157.4172.864.50000111.7S271 E272 A273S269-S271 PolarHBondContact O-N 3.08Å; S269-S271 PolarHBondContact OG-OG 3.48Å; S269-S271 VanDerWaalsContact OG-OG 3.09Å; S269-E272 WeakPolarHBondContact CB-OE2 3.04Å; S269-E272 PolarHBondContact N-OE2 3.42Å; S269-E272 PolarHBondContact O-N 3.36Å; S269-E272 VanDerWaalsContact O-N 3.1Å; S269-E272 WeakPolarHBondContact OG-CB 3.15Å; S269-E272 VanDerWaalsContact OG-CD 3.24Å; S269-E272 WeakPolarHBondContact OG-CG 3.4Å; S269-E272 PolarHBondContact OG-N 3.24Å; S269-E272 PolarHBondContact OG-OE2 2.97Å; S269-A273 PolarHBondContact O-N 2.95Å
270A88.2Confident93.1Very high81 Ų8146.9 Ų46.967%0.66926%0.255SS*.Hα-helixtrans-56.8-36.9175.900000112.5M274A270-M274 WeakPolarHBondContact O-CG 3.49Å; A270-M274 PolarHBondContact O-N 2.67Å
271S91.8Very high93.1Very high74 Ų7450.8 Ų50.852%0.51727%0.271SS..Hα-helixtrans-67.3-39.9175.942.30000113S269 M274 L275S269-S271 PolarHBondContact O-N 3.08Å; S269-S271 PolarHBondContact OG-OG 3.48Å; S269-S271 VanDerWaalsContact OG-OG 3.09Å; S271-M274 PolarHBondContact O-N 3.44Å; S271-L275 WeakPolarHBondContact O-CG 3.49Å; S271-L275 PolarHBondContact O-N 3.45Å
272E95Very high93.2Very high26 Ų2656.3 Ų56.312%0.12129%0.293CS..Hα-helixtrans-67.3-40.5177-72.6166.7134.300111.5W268 S269 M274 L275 F276 L295 W297 K298W268-E272 HydrophobicContact CB-CB 4.46Å; W268-E272 HydrophobicContact CD2-CB 4.37Å; W268-E272 HydrophobicContact CE3-CB 3.81Å; S269-E272 WeakPolarHBondContact CB-OE2 3.04Å; S269-E272 PolarHBondContact N-OE2 3.42Å; S269-E272 PolarHBondContact O-N 3.36Å; S269-E272 VanDerWaalsContact O-N 3.1Å; S269-E272 WeakPolarHBondContact OG-CB 3.15Å; S269-E272 VanDerWaalsContact OG-CD 3.24Å; S269-E272 WeakPolarHBondContact OG-CG 3.4Å; S269-E272 PolarHBondContact OG-N 3.24Å; S269-E272 PolarHBondContact OG-OE2 2.97Å; E272-M274 VanDerWaalsContact C-N 3.32Å; E272-M274 PolarHBondContact O-N 3.1Å; E272-L275 PolarHBondContact O-N 3.42Å; E272-F276 WeakPolarHBondContact O-CB 3.24Å; E272-F276 PolarHBondContact O-N 2.83Å; E272-L295 HydrophobicContact CB-CD2 4.2Å; E272-L295 HydrophobicContact CG-CD2 4.19Å; E272-W297 HydrophobicContact CG-CZ2 4.29Å; E272-W297 PolarHBondContact OE1-NE1 2.98Å; E272-K298 WeakPolarHBondContact OE1-CE 3.44Å; E272-K298 IonicContact OE1-NZ 3.27Å; E272-K298 PolarHBondContact OE1-NZ 3.44Å; E272-K298 IonicContact OE2-NZ 2.73Å
273A93.1Very high93.4Very high25 Ų2555.9 Ų55.921%0.20729%0.292CS..Hα-helixtrans-61.4-40.1173.900000111.8S269 F276 E277 F306S269-A273 PolarHBondContact O-N 2.95Å; A273-F276 WeakPolarHBondContact O-CB 3.48Å; A273-F276 PolarHBondContact O-N 3.29Å; A273-E277 WeakPolarHBondContact O-CG 3.42Å; A273-E277 PolarHBondContact O-N 3.01Å; A273-E277 VanDerWaalsContact O-N 3.11Å; A273-F306 HydrophobicContact CB-CZ 4.03Å
274M93.1Very high93.3Very high112 Ų11257.2 Ų57.255%0.55231%0.307SS*.Hα-helixtrans-65.3-47.3174.6-73.8179.863.900112.4A270 S271 E272 F276 E277 E278A270-M274 WeakPolarHBondContact O-CG 3.49Å; A270-M274 PolarHBondContact O-N 2.67Å; S271-M274 PolarHBondContact O-N 3.44Å; E272-M274 VanDerWaalsContact C-N 3.32Å; E272-M274 PolarHBondContact O-N 3.1Å; M274-F276 PolarHBondContact O-N 2.68Å; M274-E277 PolarHBondContact O-N 2.83Å; M274-E277 VanDerWaalsContact O-N 3.15Å; M274-E278 WeakPolarHBondContact O-CG 3.5Å; M274-E278 PolarHBondContact O-N 2.99Å
275L96.4Very high93.4Very high52 Ų5262.7 Ų62.727%0.27233%0.33SS..Hα-helixtrans-57.3-39.3175.8-75.6170.5000111.5S271 E272 A279 F294 L295 W297S271-L275 WeakPolarHBondContact O-CG 3.49Å; S271-L275 PolarHBondContact O-N 3.45Å; E272-L275 PolarHBondContact O-N 3.42Å; L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.07Å; L275-F294 HydrophobicContact CD2-CD1 4.08Å; L275-F294 WeakPolarHBondContact O-CD1 3.29Å; L275-L295 HydrophobicContact CB-CD2 4.13Å; L275-L295 HydrophobicContact CD1-CD2 4.26Å; L275-W297 HydrophobicContact CD1-CH2 4.04Å; L275-W297 HydrophobicContact CD1-CZ2 4.16Å
276F96.4Very high93.6Very high0 Ų063.1 Ų63.10%033%0.334CS..Hα-helixtrans-63.1-45.4175.7179.3-98.2000112.9W268 E272 A273 M274 A279 L280 I290 L295 V303 F306 Y307 W310W268-F276 HydrophobicContact CH2-CD2 4.34Å; W268-F276 HydrophobicContact CZ3-CB 3.94Å; W268-F276 HydrophobicContact CZ3-CD2 4.24Å; W268-F276 HydrophobicContact CZ3-CG 4.26Å; E272-F276 WeakPolarHBondContact O-CB 3.24Å; E272-F276 PolarHBondContact O-N 2.83Å; A273-F276 WeakPolarHBondContact O-CB 3.48Å; A273-F276 PolarHBondContact O-N 3.29Å; M274-F276 PolarHBondContact O-N 2.68Å; F276-A279 PolarHBondContact O-N 2.92Å; F276-L280 HydrophobicContact CE1-CD1 4.4Å; F276-L280 HydrophobicContact CE1-CD2 4.4Å; F276-L280 HydrophobicContact CZ-CD1 3.97Å; F276-L280 VanDerWaalsContact O-CB 3.3Å; F276-L280 WeakPolarHBondContact O-CB 3.29Å; F276-L280 PolarHBondContact O-N 3.15Å; F276-I290 HydrophobicContact CD2-CG2 4.23Å; F276-L295 HydrophobicContact CB-CD1 4.11Å; F276-L295 HydrophobicContact CD2-CD1 4.26Å; F276-V303 HydrophobicContact CD2-CG1 4.23Å; F276-V303 HydrophobicContact CE2-CG1 3.87Å; F276-F306 HydrophobicContact CB-CE1 4.27Å; F276-F306 AromaticContact CD1-CD1 3.85Å; F276-F306 HydrophobicContact CD1-CD1 3.85Å; F276-F306 AromaticContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD2-CD1 4.22Å; F276-F306 HydrophobicContact CE1-CD1 4.02Å; F276-F306 HydrophobicContact CE1-CE1 4.08Å; F276-F306 HydrophobicContact CE2-CD1 4.38Å; F276-F306 AromaticContact CG-CD1 3.96Å; F276-F306 HydrophobicContact CG-CD1 3.96Å; F276-F306 AromaticContact CG-CE1 3.89Å; F276-F306 HydrophobicContact CG-CE1 3.89Å; F276-F306 HydrophobicContact CZ-CD1 4.29Å; F276-Y307 AromaticContact CZ-CD2 3.95Å; F276-Y307 HydrophobicContact CZ-CD2 3.95Å; F276-Y307 HydrophobicContact CZ-CG 4.31Å; F276-W310 HydrophobicContact CE1-CD2 4.11Å; F276-W310 HydrophobicContact CE1-CE3 4.05Å; F276-W310 HydrophobicContact CE1-CG 4.39Å
277E93.2Very high94Very high28 Ų2862 Ų6213%0.13133%0.328CS..Hα-helixtrans-62.5-44.2178.3-71.5-174.6-17700111.6A273 M274 A279 L280 E281 W310 R315A273-E277 WeakPolarHBondContact O-CG 3.42Å; A273-E277 PolarHBondContact O-N 3.01Å; A273-E277 VanDerWaalsContact O-N 3.11Å; M274-E277 PolarHBondContact O-N 2.83Å; M274-E277 VanDerWaalsContact O-N 3.15Å; E277-A279 PolarHBondContact O-N 2.78Å; E277-L280 PolarHBondContact O-N 2.78Å; E277-E281 WeakPolarHBondContact O-CG 3.49Å; E277-E281 PolarHBondContact O-N 3.27Å; E277-W310 HydrophobicContact CG-CZ2 3.72Å; E277-W310 PolarHBondContact OE1-NE1 2.72Å; E277-R315 VanDerWaalsContact CD-NE 3.31Å; E277-R315 WeakPolarHBondContact OE1-CD 3.34Å; E277-R315 IonicContact OE1-CZ 3.57Å; E277-R315 IonicContact OE1-NE 3.74Å; E277-R315 PolarHBondContact OE1-NE 2.74Å; E277-R315 IonicContact OE2-CZ 2.71Å; E277-R315 IonicContact OE2-NE 2.67Å; E277-R315 PolarHBondContact OE2-NE 2.75Å; E277-R315 IonicContact OE2-NH2 3.44Å; E277-R315 PolarHBondContact OE2-NH2 3.37Å
278E94.8Very high94.3Very high102 Ų10261.7 Ų61.748%0.47733%0.329SS..Hα-helixtrans-60.9-44.1175.3-69.9178.7-169.900111.8M274 E281 K282 F294M274-E278 WeakPolarHBondContact O-CG 3.5Å; M274-E278 PolarHBondContact O-N 2.99Å; E278-E281 PolarHBondContact O-N 2.84Å; E278-K282 WeakPolarHBondContact O-CB 3.28Å; E278-K282 PolarHBondContact O-N 3.14Å; E278-F294 HydrophobicContact CB-CE1 3.92Å
279A96.6Very high94.5Very high0 Ų064 Ų640%034%0.343CS..Hα-helixtrans-64.9-41178.400000112.1L275 F276 E277 E281 K282 Y283 I290 F294L275-A279 VanDerWaalsContact O-CB 3.24Å; L275-A279 WeakPolarHBondContact O-CB 3.45Å; L275-A279 PolarHBondContact O-N 3.07Å; F276-A279 PolarHBondContact O-N 2.92Å; E277-A279 PolarHBondContact O-N 2.78Å; A279-E281 VanDerWaalsContact C-N 3.34Å; A279-K282 PolarHBondContact O-N 2.79Å; A279-Y283 PolarHBondContact O-N 3.11Å; A279-I290 HydrophobicContact CB-CB 4.08Å; A279-I290 HydrophobicContact CB-CG1 3.79Å; A279-I290 HydrophobicContact CB-CG2 3.66Å; A279-F294 HydrophobicContact CB-CB 3.76Å; A279-F294 HydrophobicContact CB-CD1 3.8Å; A279-F294 HydrophobicContact CB-CD2 3.47Å; A279-F294 VanDerWaalsContact CB-CD2 3.47Å; A279-F294 HydrophobicContact CB-CE1 4.21Å; A279-F294 HydrophobicContact CB-CE2 3.92Å; A279-F294 HydrophobicContact CB-CG 3.4Å; A279-F294 VanDerWaalsContact CB-CG 3.4Å; A279-F294 HydrophobicContact CB-CZ 4.27Å
280L94.7Very high94.9Very high27 Ų2761.7 Ų61.714%0.14133%0.327CS..Hα-helixtrans-66.8-35.6178.9-163.885.4000111.6F276 E277 G284 F287 I290 Y307 W310F276-L280 HydrophobicContact CE1-CD1 4.4Å; F276-L280 HydrophobicContact CE1-CD2 4.4Å; F276-L280 HydrophobicContact CZ-CD1 3.97Å; F276-L280 VanDerWaalsContact O-CB 3.3Å; F276-L280 WeakPolarHBondContact O-CB 3.29Å; F276-L280 PolarHBondContact O-N 3.15Å; E277-L280 PolarHBondContact O-N 2.78Å; L280-G284 WeakPolarHBondContact CD1-O 3.15Å; L280-G284 WeakPolarHBondContact O-CA 3.42Å; L280-G284 PolarHBondContact O-N 3.26Å; L280-F287 HydrophobicContact CD1-CE1 4.38Å; L280-I290 HydrophobicContact CD1-CD1 4.04Å; L280-Y307 HydrophobicContact CD1-CD2 4.07Å; L280-Y307 HydrophobicContact CD1-CE2 4.14Å; L280-W310 HydrophobicContact CD2-CE3 4.42Å; L280-W310 HydrophobicContact CD2-CH2 3.67Å; L280-W310 HydrophobicContact CD2-CZ3 3.46Å; L280-W310 VanDerWaalsContact CD2-CZ3 3.46Å
281E91.7Very high95.3Very high137 Ų13762.1 Ų62.164%0.6431%0.311SS*.Hα-helixtrans-69.2-36.8173.7-73.1-172.916900112.2E277 E278 A279 Q319E277-E281 WeakPolarHBondContact O-CG 3.49Å; E277-E281 PolarHBondContact O-N 3.27Å; E278-E281 PolarHBondContact O-N 2.84Å; A279-E281 VanDerWaalsContact C-N 3.34Å; E281-Q319 PolarHBondContact OE1-NE2 3.09Å
282K95.6Very high95.6Very high135 Ų13565 Ų6559%0.58732%0.316SS*.Hα-helixtrans-78.1-46.7-178.8-170-175.8-178.5-164.10113.7E278 A279 F294E278-K282 WeakPolarHBondContact O-CB 3.28Å; E278-K282 PolarHBondContact O-N 3.14Å; A279-K282 PolarHBondContact O-N 2.79Å; K282-F294 HydrophobicContact CD-CE2 3.99Å; K282-F294 HydrophobicContact CD-CZ 3.93Å
283Y95.8Very high95.7Very high64 Ų6468.3 Ų68.325%0.25134%0.335SS..Hα-helixtrans-108.5-1.7-172.1-59.6-42.2000113.7A279 K285 D289 I290 D293 F294A279-Y283 PolarHBondContact O-N 3.11Å; Y283-K285 PolarHBondContact O-N 2.8Å; Y283-D289 HydrophobicContact CD2-CB 3.98Å; Y283-D289 HydrophobicContact CE2-CB 4.33Å; Y283-D289 HydrophobicContact CG-CB 4.19Å; Y283-I290 HydrophobicContact CD2-CG1 4.33Å; Y283-D293 HydrophobicContact CE2-CB 3.95Å; Y283-D293 WeakPolarHBondContact CE2-OD2 3.46Å; Y283-D293 VanDerWaalsContact CZ-OD2 3.24Å; Y283-D293 PolarHBondContact OH-OD2 3.17Å; Y283-F294 HydrophobicContact CD2-CD2 4.35Å; Y283-F294 HydrophobicContact CD2-CE2 4.09Å; Y283-F294 AromaticContact CE2-CD2 3.9Å; Y283-F294 HydrophobicContact CE2-CD2 3.9Å; Y283-F294 AromaticContact CE2-CE2 3.53Å; Y283-F294 HydrophobicContact CE2-CE2 3.53Å
284G93.7Very high95.9Very high33 Ų3368.7 Ų68.734%0.3433%0.332SS..THydrogen-bonded Turntrans68.6-126.7-17700000111.1L280L280-G284 WeakPolarHBondContact CD1-O 3.15Å; L280-G284 WeakPolarHBondContact O-CA 3.42Å; L280-G284 PolarHBondContact O-N 3.26Å
285K95.9Very high96.1Very high148 Ų14863.4 Ų63.464%0.64331%0.306SS*.THydrogen-bonded Turntrans-103.921.7-177.6-58.7175.4-171.8170.20112.7Y283 F287 Y307Y283-K285 PolarHBondContact O-N 2.8Å; K285-F287 HydrophobicContact CB-CE2 4.39Å; K285-F287 HydrophobicContact CB-CZ 4.27Å; K285-F287 WeakPolarHBondContact O-CD2 3.43Å; K285-F287 PolarHBondContact O-N 3.12Å; K285-F287 VanDerWaalsContact O-N 3.11Å; K285-Y307 VanDerWaalsContact CE-OH 3.24Å; K285-Y307 WeakPolarHBondContact CE-OH 3.47Å
286D96.8Very high96.1Very high68 Ų6864.6 Ų64.636%0.36432%0.317SS..  trans-80.388171.9-161.3-31.5000110.1N288 D289 I290D286-N288 PolarHBondContact O-N 3.34Å; D286-N288 PolarHBondContact OD1-N 3.19Å; D286-N288 VanDerWaalsContact OD1-N 3.12Å; D286-D289 HydrophobicContact CB-CB 4.36Å; D286-D289 PolarHBondContact O-N 3.04Å; D286-D289 PolarHBondContact OD1-N 3.46Å; D286-I290 VanDerWaalsContact O-CG1 3.24Å; D286-I290 WeakPolarHBondContact O-CG1 3.41Å; D286-I290 PolarHBondContact O-N 3.23Å
287F97.4Very high96.2Very high34 Ų3472 Ų7215%0.14935%0.345CS..Hα-helixtrans-67.8-18.5-177.5-57.3-64.8000113.4L280 K285 I290 R291 L300 V303 V304 Y307L280-F287 HydrophobicContact CD1-CE1 4.38Å; K285-F287 HydrophobicContact CB-CE2 4.39Å; K285-F287 HydrophobicContact CB-CZ 4.27Å; K285-F287 WeakPolarHBondContact O-CD2 3.43Å; K285-F287 PolarHBondContact O-N 3.12Å; K285-F287 VanDerWaalsContact O-N 3.11Å; F287-I290 HydrophobicContact CD1-CD1 4.13Å; F287-R291 VanDerWaalsContact O-CB 3.29Å; F287-R291 WeakPolarHBondContact O-CB 3.3Å; F287-R291 PolarHBondContact O-N 2.76Å; F287-R291 VanDerWaalsContact O-N 3.09Å; F287-L300 HydrophobicContact CB-CD1 3.58Å; F287-L300 WeakPolarHBondContact O-CD1 3.43Å; F287-V303 HydrophobicContact CB-CG1 4.49Å; F287-V303 HydrophobicContact CD1-CG1 4.05Å; F287-V304 HydrophobicContact CB-CG2 4.21Å; F287-V304 HydrophobicContact CD2-CG2 3.85Å; F287-V304 HydrophobicContact CE2-CG2 4.38Å; F287-V304 HydrophobicContact CG-CG2 3.96Å; F287-Y307 HydrophobicContact CE1-CD1 4.1Å; F287-Y307 AromaticContact CE1-CD2 3.92Å; F287-Y307 HydrophobicContact CE1-CD2 3.92Å; F287-Y307 HydrophobicContact CE1-CE2 4.48Å; F287-Y307 AromaticContact CE1-CG 3.68Å; F287-Y307 HydrophobicContact CE1-CG 3.68Å; F287-Y307 HydrophobicContact CE2-CD1 4.43Å; F287-Y307 AromaticContact CZ-CD1 3.51Å; F287-Y307 HydrophobicContact CZ-CD1 3.51Å; F287-Y307 AromaticContact CZ-CD2 3.96Å; F287-Y307 HydrophobicContact CZ-CD2 3.96Å; F287-Y307 AromaticContact CZ-CE1 3.77Å; F287-Y307 HydrophobicContact CZ-CE1 3.77Å; F287-Y307 HydrophobicContact CZ-CE2 4.19Å; F287-Y307 AromaticContact CZ-CG 3.58Å; F287-Y307 HydrophobicContact CZ-CG 3.58Å
288N97.3Very high96.4Very high85 Ų8572.2 Ų72.246%0.45535%0.346SS..Hα-helixtrans-72-46.4175.7-73.9-60.3000110.7D286 R291 Q292D286-N288 PolarHBondContact O-N 3.34Å; D286-N288 PolarHBondContact OD1-N 3.19Å; D286-N288 VanDerWaalsContact OD1-N 3.12Å; N288-R291 PolarHBondContact O-N 3.27Å; N288-Q292 PolarHBondContact O-N 2.89Å
289D97.4Very high96.5Very high65 Ų6570.4 Ų70.435%0.34834%0.344SS..Hα-helixtrans-70.1-39.8179.1-72.1-1.3000111.3Y283 D286 R291 Q292 D293Y283-D289 HydrophobicContact CD2-CB 3.98Å; Y283-D289 HydrophobicContact CE2-CB 4.33Å; Y283-D289 HydrophobicContact CG-CB 4.19Å; D286-D289 HydrophobicContact CB-CB 4.36Å; D286-D289 PolarHBondContact O-N 3.04Å; D286-D289 PolarHBondContact OD1-N 3.46Å; D289-R291 VanDerWaalsContact C-N 3.3Å; D289-R291 PolarHBondContact O-N 3.08Å; D289-Q292 PolarHBondContact O-N 3.21Å; D289-D293 WeakPolarHBondContact O-CB 3.4Å; D289-D293 PolarHBondContact O-N 3.41Å
290I97.6Very high96.5Very high0 Ų073.1 Ų73.10%036%0.358CS..Hα-helixtrans-55.6-47171.8-69169.3000110.6F276 A279 L280 Y283 D286 F287 F294 L295 V303F276-I290 HydrophobicContact CD2-CG2 4.23Å; A279-I290 HydrophobicContact CB-CB 4.08Å; A279-I290 HydrophobicContact CB-CG1 3.79Å; A279-I290 HydrophobicContact CB-CG2 3.66Å; L280-I290 HydrophobicContact CD1-CD1 4.04Å; Y283-I290 HydrophobicContact CD2-CG1 4.33Å; D286-I290 VanDerWaalsContact O-CG1 3.24Å; D286-I290 WeakPolarHBondContact O-CG1 3.41Å; D286-I290 PolarHBondContact O-N 3.23Å; F287-I290 HydrophobicContact CD1-CD1 4.13Å; I290-F294 WeakPolarHBondContact O-CB 3.44Å; I290-F294 PolarHBondContact O-N 3.44Å; I290-L295 PolarHBondContact O-N 3.01Å; I290-V303 HydrophobicContact CG2-CG1 4.25Å
291R97.2Very high96.7Very high89 Ų8975.2 Ų75.234%0.33638%0.38SS..Hα-helixtrans-67.1-46.1179-167.6-168.7109.6-156.44.9111.6F287 N288 D289 L295 P296 K298 V303F287-R291 VanDerWaalsContact O-CB 3.29Å; F287-R291 WeakPolarHBondContact O-CB 3.3Å; F287-R291 PolarHBondContact O-N 2.76Å; F287-R291 VanDerWaalsContact O-N 3.09Å; N288-R291 PolarHBondContact O-N 3.27Å; D289-R291 VanDerWaalsContact C-N 3.3Å; D289-R291 PolarHBondContact O-N 3.08Å; R291-L295 WeakPolarHBondContact CG-O 3.4Å; R291-L295 CarbonylContact O-C 3.49Å; R291-L295 PolarHBondContact O-N 3.47Å; R291-P296 WeakPolarHBondContact O-CA 3.31Å; R291-K298 WeakPolarHBondContact CD-O 3.45Å; R291-K298 WeakPolarHBondContact CG-O 3.48Å; R291-V303 HydrophobicContact CG-CG2 4.49Å
292Q97Very high96.9Very high135 Ų13569.1 Ų69.163%0.63135%0.352SS*.Hα-helixtrans-62.5-45.2-177.2-84.9-167.114.600112.7N288 D289N288-Q292 PolarHBondContact O-N 2.89Å; D289-Q292 PolarHBondContact O-N 3.21Å
293D97.5Very high97Very high96 Ų9662.7 Ų62.751%0.51332%0.324SS..Hα-helixtrans-93.3-34-168.3-73.5-1.2000113.5Y283 D289Y283-D293 HydrophobicContact CE2-CB 3.95Å; Y283-D293 WeakPolarHBondContact CE2-OD2 3.46Å; Y283-D293 VanDerWaalsContact CZ-OD2 3.24Å; Y283-D293 PolarHBondContact OH-OD2 3.17Å; D289-D293 WeakPolarHBondContact O-CB 3.4Å; D289-D293 PolarHBondContact O-N 3.41Å
294F97.4Very high97.1Very high33 Ų3361.8 Ų61.815%0.14533%0.325CS..THydrogen-bonded Turntrans-110.4-34.3-173-73.9-103.5000113.5L275 E278 A279 K282 Y283 I290 P296L275-F294 HydrophobicContact CD2-CD1 4.08Å; L275-F294 WeakPolarHBondContact O-CD1 3.29Å; E278-F294 HydrophobicContact CB-CE1 3.92Å; A279-F294 HydrophobicContact CB-CB 3.76Å; A279-F294 HydrophobicContact CB-CD1 3.8Å; A279-F294 HydrophobicContact CB-CD2 3.47Å; A279-F294 VanDerWaalsContact CB-CD2 3.47Å; A279-F294 HydrophobicContact CB-CE1 4.21Å; A279-F294 HydrophobicContact CB-CE2 3.92Å; A279-F294 HydrophobicContact CB-CG 3.4Å; A279-F294 VanDerWaalsContact CB-CG 3.4Å; A279-F294 HydrophobicContact CB-CZ 4.27Å; K282-F294 HydrophobicContact CD-CE2 3.99Å; K282-F294 HydrophobicContact CD-CZ 3.93Å; Y283-F294 HydrophobicContact CD2-CD2 4.35Å; Y283-F294 HydrophobicContact CD2-CE2 4.09Å; Y283-F294 AromaticContact CE2-CD2 3.9Å; Y283-F294 HydrophobicContact CE2-CD2 3.9Å; Y283-F294 AromaticContact CE2-CE2 3.53Å; Y283-F294 HydrophobicContact CE2-CE2 3.53Å; I290-F294 WeakPolarHBondContact O-CB 3.44Å; I290-F294 PolarHBondContact O-N 3.44Å; F294-P296 VanDerWaalsContact C-CD 3.48Å
295L97.1Very high97.3Very high0 Ų064.3 Ų64.30%033%0.328CS..  trans-134.256.4-173.7-64.4167.4000112.7W268 E272 L275 F276 I290 R291 W297 K298W268-L295 HydrophobicContact CH2-CD1 3.63Å; W268-L295 HydrophobicContact CZ3-CD1 3.51Å; E272-L295 HydrophobicContact CB-CD2 4.2Å; E272-L295 HydrophobicContact CG-CD2 4.19Å; L275-L295 HydrophobicContact CB-CD2 4.13Å; L275-L295 HydrophobicContact CD1-CD2 4.26Å; F276-L295 HydrophobicContact CB-CD1 4.11Å; F276-L295 HydrophobicContact CD2-CD1 4.26Å; I290-L295 PolarHBondContact O-N 3.01Å; R291-L295 WeakPolarHBondContact CG-O 3.4Å; R291-L295 CarbonylContact O-C 3.49Å; R291-L295 PolarHBondContact O-N 3.47Å; L295-W297 HydrophobicContact CD2-CZ2 3.84Å; L295-W297 PolarHBondContact O-N 3.19Å; L295-W297 VanDerWaalsContact O-N 3.16Å; L295-K298 HydrophobicContact CB-CB 4.26Å; L295-K298 HydrophobicContact CB-CG 4.3Å; L295-K298 PolarHBondContact O-N 3.14Å
296P97.4Very high97.3Very high78 Ų7857.4 Ų57.451%0.50630%0.298SS..THydrogen-bonded Turntrans-67.3-19.8-172.124.8-34.5000113.9R291 F294R291-P296 WeakPolarHBondContact O-CA 3.31Å; F294-P296 VanDerWaalsContact C-CD 3.48Å
297W97.1Very high97.3Very high154 Ų15454.6 Ų54.658%0.58328%0.282SS*.THydrogen-bonded Turntrans-84.2-11.11765788000113.8E272 L275 L295E272-W297 HydrophobicContact CG-CZ2 4.29Å; E272-W297 PolarHBondContact OE1-NE1 2.98Å; L275-W297 HydrophobicContact CD1-CH2 4.04Å; L275-W297 HydrophobicContact CD1-CZ2 4.16Å; L295-W297 HydrophobicContact CD2-CZ2 3.84Å; L295-W297 PolarHBondContact O-N 3.19Å; L295-W297 VanDerWaalsContact O-N 3.16Å
298K97.4Very high97.3Very high34 Ų3459.7 Ų59.715%0.14830%0.301CS..SBendtrans-91.2150.4175-67-72.4179.5169.20110.6W268 E272 R291 L295 V303W268-K298 HydrophobicContact CH2-CG 4.49Å; W268-K298 HydrophobicContact CZ2-CD 4.12Å; W268-K298 HydrophobicContact CZ2-CG 4.18Å; E272-K298 WeakPolarHBondContact OE1-CE 3.44Å; E272-K298 IonicContact OE1-NZ 3.27Å; E272-K298 PolarHBondContact OE1-NZ 3.44Å; E272-K298 IonicContact OE2-NZ 2.73Å; R291-K298 WeakPolarHBondContact CD-O 3.45Å; R291-K298 WeakPolarHBondContact CG-O 3.48Å; L295-K298 HydrophobicContact CB-CB 4.26Å; L295-K298 HydrophobicContact CB-CG 4.3Å; L295-K298 PolarHBondContact O-N 3.14Å; K298-V303 HydrophobicContact CB-CG2 3.89Å
299S97.5Very high97.2Very high63 Ų6358.1 Ų58.144%0.44129%0.292SS..  trans-75.6155.8172.180.70000110.7A301 S302 V303S299-A301 VanDerWaalsContact C-N 3.27Å; S299-A301 PolarHBondContact O-N 2.95Å; S299-S302 PolarHBondContact N-OG 3.05Å; S299-S302 PolarHBondContact O-N 3.49Å; S299-S302 PolarHBondContact O-OG 2.98Å; S299-S302 WeakPolarHBondContact OG-CB 3.33Å; S299-S302 PolarHBondContact OG-N 3.13Å; S299-S302 PolarHBondContact OG-OG 3.09Å; S299-V303 VanDerWaalsContact O-CG2 3.31Å; S299-V303 WeakPolarHBondContact O-CG2 3.42Å; S299-V303 PolarHBondContact O-N 2.99Å; S299-V303 VanDerWaalsContact O-N 3.15Å
300L97.6Very high97Very high57 Ų5755.4 Ų55.430%0.29828%0.277SS..Hα-helixtrans-63-38.7175.6-177.163.5000111.3F287 V303 V304F287-L300 HydrophobicContact CB-CD1 3.58Å; F287-L300 WeakPolarHBondContact O-CD1 3.43Å; L300-V303 PolarHBondContact O-N 3.11Å; L300-V304 VanDerWaalsContact O-CG2 3.32Å; L300-V304 WeakPolarHBondContact O-CG2 3.39Å; L300-V304 PolarHBondContact O-N 3.32Å
301A97.8Very high96.9Very high72 Ų7258.6 Ų58.660%0.59529%0.291SS*.Hα-helixtrans-61.6-45.1179.200000111.6S299 V304 Q305S299-A301 VanDerWaalsContact C-N 3.27Å; S299-A301 PolarHBondContact O-N 2.95Å; A301-V304 PolarHBondContact O-N 2.58Å; A301-Q305 WeakPolarHBondContact O-CB 3.26Å; A301-Q305 PolarHBondContact O-N 3.02Å
302S97.3Very high96.6Very high8 Ų858.8 Ų58.86%0.05630%0.302CS..Hα-helixtrans-66.2-39.2178.660.10000112.6E264 S299 V304 Q305 F306E264-S302 WeakPolarHBondContact OE1-CB 3.49Å; E264-S302 WeakPolarHBondContact OE2-CB 3.34Å; S299-S302 PolarHBondContact N-OG 3.05Å; S299-S302 PolarHBondContact O-N 3.49Å; S299-S302 PolarHBondContact O-OG 2.98Å; S299-S302 WeakPolarHBondContact OG-CB 3.33Å; S299-S302 PolarHBondContact OG-N 3.13Å; S299-S302 PolarHBondContact OG-OG 3.09Å; S302-V304 VanDerWaalsContact C-N 3.34Å; S302-V304 PolarHBondContact O-N 3.21Å; S302-Q305 PolarHBondContact O-N 3.48Å; S302-F306 WeakPolarHBondContact O-CB 3.44Å; S302-F306 PolarHBondContact O-N 3.1Å
303V97.6Very high96.2Very high0 Ų053.8 Ų53.80%028%0.281CS..Hα-helixtrans-60.8-43173.6175.10000111.3W268 F276 F287 I290 R291 K298 S299 L300 Y307W268-V303 HydrophobicContact CH2-CB 4.47Å; W268-V303 HydrophobicContact CH2-CG2 4.04Å; W268-V303 HydrophobicContact CZ2-CG2 4.3Å; F276-V303 HydrophobicContact CD2-CG1 4.23Å; F276-V303 HydrophobicContact CE2-CG1 3.87Å; F287-V303 HydrophobicContact CB-CG1 4.49Å; F287-V303 HydrophobicContact CD1-CG1 4.05Å; I290-V303 HydrophobicContact CG2-CG1 4.25Å; R291-V303 HydrophobicContact CG-CG2 4.49Å; K298-V303 HydrophobicContact CB-CG2 3.89Å; S299-V303 VanDerWaalsContact O-CG2 3.31Å; S299-V303 WeakPolarHBondContact O-CG2 3.42Å; S299-V303 PolarHBondContact O-N 2.99Å; S299-V303 VanDerWaalsContact O-N 3.15Å; L300-V303 PolarHBondContact O-N 3.11Å; V303-Y307 WeakPolarHBondContact O-CB 3.5Å; V303-Y307 PolarHBondContact O-N 2.87Å
304V97.7Very high95.7Very high45 Ų4555.1 Ų55.127%0.27329%0.288SS..Hα-helixtrans-67.8-42.4178.1172.60000111.3F287 L300 A301 S302 Y307 Y308F287-V304 HydrophobicContact CB-CG2 4.21Å; F287-V304 HydrophobicContact CD2-CG2 3.85Å; F287-V304 HydrophobicContact CE2-CG2 4.38Å; F287-V304 HydrophobicContact CG-CG2 3.96Å; L300-V304 VanDerWaalsContact O-CG2 3.32Å; L300-V304 WeakPolarHBondContact O-CG2 3.39Å; L300-V304 PolarHBondContact O-N 3.32Å; A301-V304 PolarHBondContact O-N 2.58Å; S302-V304 VanDerWaalsContact C-N 3.34Å; S302-V304 PolarHBondContact O-N 3.21Å; V304-Y307 WeakPolarHBondContact O-CB 3.2Å; V304-Y307 PolarHBondContact O-N 3.3Å; V304-Y308 HydrophobicContact CG1-CD2 3.99Å; V304-Y308 HydrophobicContact CG1-CE2 3.78Å; V304-Y308 VanDerWaalsContact O-CD2 3.27Å; V304-Y308 WeakPolarHBondContact O-CD2 3.48Å; V304-Y308 PolarHBondContact O-N 3.35Å
305Q97.1Very high95.1Very high87 Ų8761.1 Ų61.141%0.40731%0.31SS..Hα-helixtrans-62-46.5176-177.2175.42.800111.1E264 A301 S302 Y307 Y308 M309E264-Q305 HydrophobicContact CB-CG 4.37Å; E264-Q305 HydrophobicContact CG-CB 4.17Å; E264-Q305 HydrophobicContact CG-CG 4.01Å; A301-Q305 WeakPolarHBondContact O-CB 3.26Å; A301-Q305 PolarHBondContact O-N 3.02Å; S302-Q305 PolarHBondContact O-N 3.48Å; Q305-Y307 VanDerWaalsContact C-N 3.35Å; Q305-Y307 PolarHBondContact O-N 3.16Å; Q305-Y308 PolarHBondContact O-N 2.84Å; Q305-M309 WeakPolarHBondContact O-CG 3.43Å; Q305-M309 PolarHBondContact O-N 3.47Å
306F96.7Very high94.6Very high2 Ų263 Ų631%0.00932%0.317CS..Hα-helixtrans-56.4-47.2174.2-176.2-94.7000111.5E264 M265 W268 A273 F276 S302 Y308 M309 W310E264-F306 HydrophobicContact CB-CB 4.21Å; E264-F306 WeakPolarHBondContact O-CD2 3.39Å; M265-F306 HydrophobicContact SD-CE2 4.01Å; M265-F306 HydrophobicContact SD-CZ 4.37Å; W268-F306 HydrophobicContact CB-CD2 4.21Å; W268-F306 HydrophobicContact CB-CE2 3.83Å; W268-F306 HydrophobicContact CD2-CB 4.36Å; W268-F306 HydrophobicContact CD2-CD1 4.38Å; W268-F306 AromaticContact CD2-CD2 3.49Å; W268-F306 HydrophobicContact CD2-CD2 3.49Å; W268-F306 VanDerWaalsContact CD2-CD2 3.49Å; W268-F306 AromaticContact CD2-CE2 3.79Å; W268-F306 HydrophobicContact CD2-CE2 3.79Å; W268-F306 AromaticContact CD2-CG 3.82Å; W268-F306 HydrophobicContact CD2-CG 3.82Å; W268-F306 HydrophobicContact CD2-CZ 4.35Å; W268-F306 AromaticContact CE2-CD2 3.77Å; W268-F306 AromaticContact CE2-CG 3.82Å; W268-F306 AromaticContact CE3-CD1 3.94Å; W268-F306 HydrophobicContact CE3-CD1 3.94Å; W268-F306 AromaticContact CE3-CD2 3.81Å; W268-F306 HydrophobicContact CE3-CD2 3.81Å; W268-F306 AromaticContact CE3-CE1 3.98Å; W268-F306 HydrophobicContact CE3-CE1 3.98Å; W268-F306 AromaticContact CE3-CE2 3.85Å; W268-F306 HydrophobicContact CE3-CE2 3.85Å; W268-F306 AromaticContact CE3-CG 3.86Å; W268-F306 HydrophobicContact CE3-CG 3.86Å; W268-F306 AromaticContact CE3-CZ 3.94Å; W268-F306 HydrophobicContact CE3-CZ 3.94Å; W268-F306 AromaticContact CG-CD2 3.7Å; W268-F306 HydrophobicContact CG-CD2 3.7Å; W268-F306 AromaticContact CG-CE2 3.82Å; W268-F306 HydrophobicContact CG-CE2 3.82Å; W268-F306 HydrophobicContact CG-CG 4.48Å; W268-F306 HydrophobicContact CH2-CB 3.91Å; W268-F306 AromaticContact CH2-CD1 3.99Å; W268-F306 HydrophobicContact CH2-CD1 3.99Å; W268-F306 AromaticContact CH2-CG 3.89Å; W268-F306 HydrophobicContact CH2-CG 3.89Å; W268-F306 HydrophobicContact CZ2-CB 3.59Å; W268-F306 HydrophobicContact CZ2-CD1 4.43Å; W268-F306 HydrophobicContact CZ2-CD2 4.3Å; W268-F306 AromaticContact CZ2-CG 3.86Å; W268-F306 HydrophobicContact CZ2-CG 3.86Å; W268-F306 HydrophobicContact CZ3-CB 4.43Å; W268-F306 AromaticContact CZ3-CD1 3.75Å; W268-F306 HydrophobicContact CZ3-CD1 3.75Å; W268-F306 HydrophobicContact CZ3-CD2 4.33Å; W268-F306 HydrophobicContact CZ3-CE1 4.05Å; W268-F306 AromaticContact CZ3-CG 3.9Å; W268-F306 HydrophobicContact CZ3-CG 3.9Å; W268-F306 HydrophobicContact CZ3-CZ 4.48Å; A273-F306 HydrophobicContact CB-CZ 4.03Å; F276-F306 HydrophobicContact CB-CE1 4.27Å; F276-F306 AromaticContact CD1-CD1 3.85Å; F276-F306 HydrophobicContact CD1-CD1 3.85Å; F276-F306 AromaticContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD1-CE1 3.59Å; F276-F306 HydrophobicContact CD2-CD1 4.22Å; F276-F306 HydrophobicContact CE1-CD1 4.02Å; F276-F306 HydrophobicContact CE1-CE1 4.08Å; F276-F306 HydrophobicContact CE2-CD1 4.38Å; F276-F306 AromaticContact CG-CD1 3.96Å; F276-F306 HydrophobicContact CG-CD1 3.96Å; F276-F306 AromaticContact CG-CE1 3.89Å; F276-F306 HydrophobicContact CG-CE1 3.89Å; F276-F306 HydrophobicContact CZ-CD1 4.29Å; S302-F306 WeakPolarHBondContact O-CB 3.44Å; S302-F306 PolarHBondContact O-N 3.1Å; F306-Y308 VanDerWaalsContact C-N 3.35Å; F306-Y308 PolarHBondContact O-N 2.97Å; F306-M309 PolarHBondContact O-N 3.45Å; F306-W310 HydrophobicContact CD1-CB 4.19Å; F306-W310 HydrophobicContact CE1-CB 3.91Å; F306-W310 HydrophobicContact CE1-CG 4.11Å; F306-W310 HydrophobicContact CZ-CB 4.36Å; F306-W310 WeakPolarHBondContact O-CB 3.18Å; F306-W310 PolarHBondContact O-N 2.95Å
307Y96.6Very high94.2Very high10 Ų1062 Ų624%0.03931%0.307CS..Hα-helixtrans-53.6-47.7178.5166.2-106.2000113F276 L280 K285 F287 V303 V304 Q305 W310 K311F276-Y307 AromaticContact CZ-CD2 3.95Å; F276-Y307 HydrophobicContact CZ-CD2 3.95Å; F276-Y307 HydrophobicContact CZ-CG 4.31Å; L280-Y307 HydrophobicContact CD1-CD2 4.07Å; L280-Y307 HydrophobicContact CD1-CE2 4.14Å; K285-Y307 VanDerWaalsContact CE-OH 3.24Å; K285-Y307 WeakPolarHBondContact CE-OH 3.47Å; F287-Y307 HydrophobicContact CE1-CD1 4.1Å; F287-Y307 AromaticContact CE1-CD2 3.92Å; F287-Y307 HydrophobicContact CE1-CD2 3.92Å; F287-Y307 HydrophobicContact CE1-CE2 4.48Å; F287-Y307 AromaticContact CE1-CG 3.68Å; F287-Y307 HydrophobicContact CE1-CG 3.68Å; F287-Y307 HydrophobicContact CE2-CD1 4.43Å; F287-Y307 AromaticContact CZ-CD1 3.51Å; F287-Y307 HydrophobicContact CZ-CD1 3.51Å; F287-Y307 AromaticContact CZ-CD2 3.96Å; F287-Y307 HydrophobicContact CZ-CD2 3.96Å; F287-Y307 AromaticContact CZ-CE1 3.77Å; F287-Y307 HydrophobicContact CZ-CE1 3.77Å; F287-Y307 HydrophobicContact CZ-CE2 4.19Å; F287-Y307 AromaticContact CZ-CG 3.58Å; F287-Y307 HydrophobicContact CZ-CG 3.58Å; V303-Y307 WeakPolarHBondContact O-CB 3.5Å; V303-Y307 PolarHBondContact O-N 2.87Å; V304-Y307 WeakPolarHBondContact O-CB 3.2Å; V304-Y307 PolarHBondContact O-N 3.3Å; Q305-Y307 VanDerWaalsContact C-N 3.35Å; Q305-Y307 PolarHBondContact O-N 3.16Å; Y307-W310 PolarHBondContact O-N 3.24Å; Y307-K311 HydrophobicContact CD1-CD 4.3Å; Y307-K311 HydrophobicContact CD2-CD 4.39Å; Y307-K311 HydrophobicContact CD2-CG 4.36Å; Y307-K311 HydrophobicContact CE1-CD 3.72Å; Y307-K311 HydrophobicContact CE2-CD 3.83Å; Y307-K311 HydrophobicContact CE2-CG 4.05Å; Y307-K311 VanDerWaalsContact CZ-CD 3.48Å; Y307-K311 WeakPolarHBondContact O-CG 3.36Å; Y307-K311 PolarHBondContact O-N 2.82Å
308Y97Very high93.8Very high140 Ų14060.3 Ų60.355%0.54931%0.305SS..Hα-helixtrans-68.7-36-178.4-78.4-70.2000112.7V304 Q305 F306V304-Y308 HydrophobicContact CG1-CD2 3.99Å; V304-Y308 HydrophobicContact CG1-CE2 3.78Å; V304-Y308 VanDerWaalsContact O-CD2 3.27Å; V304-Y308 WeakPolarHBondContact O-CD2 3.48Å; V304-Y308 PolarHBondContact O-N 3.35Å; Q305-Y308 PolarHBondContact O-N 2.84Å; F306-Y308 VanDerWaalsContact C-N 3.35Å; F306-Y308 PolarHBondContact O-N 2.97Å
309M94.7Very high93.2Very high52 Ų5261.2 Ų61.226%0.25631%0.31SS..Hα-helixtrans-68.8-46.9173.2-64.4-60.2-159.400111.5R227 M265 Q305 F306 K311 T312R227-M309 PolarHBondContact NH2-SD 3.11Å; M265-M309 HydrophobicContact CB-CB 3.75Å; M265-M309 HydrophobicContact CB-CG 4.31Å; M265-M309 HydrophobicContact CG-CB 4.2Å; M265-M309 HydrophobicContact SD-CB 4.32Å; Q305-M309 WeakPolarHBondContact O-CG 3.43Å; Q305-M309 PolarHBondContact O-N 3.47Å; F306-M309 PolarHBondContact O-N 3.45Å; M309-K311 PolarHBondContact O-N 3.25Å; M309-T312 WeakPolarHBondContact O-CB 3.24Å; M309-T312 PolarHBondContact O-N 3.04Å; M309-T312 PolarHBondContact O-OG1 2.91Å
310W94.1Very high92.7Very high8 Ų864.4 Ų64.43%0.0332%0.316CS..Hα-helixtrans-58.8-33179.2175.188.4000112.5M265 F276 E277 L280 F306 Y307 T312 T313 Y316M265-W310 HydrophobicContact SD-CB 4.27Å; F276-W310 HydrophobicContact CE1-CD2 4.11Å; F276-W310 HydrophobicContact CE1-CE3 4.05Å; F276-W310 HydrophobicContact CE1-CG 4.39Å; E277-W310 HydrophobicContact CG-CZ2 3.72Å; E277-W310 PolarHBondContact OE1-NE1 2.72Å; L280-W310 HydrophobicContact CD2-CE3 4.42Å; L280-W310 HydrophobicContact CD2-CH2 3.67Å; L280-W310 HydrophobicContact CD2-CZ3 3.46Å; L280-W310 VanDerWaalsContact CD2-CZ3 3.46Å; F306-W310 HydrophobicContact CD1-CB 4.19Å; F306-W310 HydrophobicContact CE1-CB 3.91Å; F306-W310 HydrophobicContact CE1-CG 4.11Å; F306-W310 HydrophobicContact CZ-CB 4.36Å; F306-W310 WeakPolarHBondContact O-CB 3.18Å; F306-W310 PolarHBondContact O-N 2.95Å; Y307-W310 PolarHBondContact O-N 3.24Å; W310-T312 PolarHBondContact O-N 3.17Å; W310-T312 VanDerWaalsContact O-N 3.09Å; W310-T313 VanDerWaalsContact O-CB 3.28Å; W310-T313 WeakPolarHBondContact O-CB 3.49Å; W310-T313 VanDerWaalsContact O-CG2 3.23Å; W310-T313 WeakPolarHBondContact O-CG2 3.34Å; W310-T313 PolarHBondContact O-N 2.82Å; W310-T313 PolarHBondContact O-OG1 3.41Å; W310-Y316 AromaticContact CE3-CD2 3.91Å; W310-Y316 HydrophobicContact CE3-CD2 3.91Å; W310-Y316 HydrophobicContact CE3-CG 4.33Å; W310-Y316 AromaticContact CH2-CD2 3.4Å; W310-Y316 HydrophobicContact CH2-CD2 3.4Å; W310-Y316 HydrophobicContact CH2-CE2 4.17Å; W310-Y316 HydrophobicContact CH2-CG 4.25Å; W310-Y316 HydrophobicContact CZ2-CD2 4.27Å; W310-Y316 AromaticContact CZ3-CD2 3.17Å; W310-Y316 HydrophobicContact CZ3-CD2 3.17Å; W310-Y316 AromaticContact CZ3-CE2 3.67Å; W310-Y316 HydrophobicContact CZ3-CE2 3.67Å; W310-Y316 AromaticContact CZ3-CG 3.99Å; W310-Y316 HydrophobicContact CZ3-CG 3.99Å
311K94.3Very high92.2Very high67 Ų6770.2 Ų70.229%0.29133%0.334SS..THydrogen-bonded Turntrans-61-15.1173.3-82.5-178.870.7-148.80115.2Y307 M309 Y316Y307-K311 HydrophobicContact CD1-CD 4.3Å; Y307-K311 HydrophobicContact CD2-CD 4.39Å; Y307-K311 HydrophobicContact CD2-CG 4.36Å; Y307-K311 HydrophobicContact CE1-CD 3.72Å; Y307-K311 HydrophobicContact CE2-CD 3.83Å; Y307-K311 HydrophobicContact CE2-CG 4.05Å; Y307-K311 VanDerWaalsContact CZ-CD 3.48Å; Y307-K311 WeakPolarHBondContact O-CG 3.36Å; Y307-K311 PolarHBondContact O-N 2.82Å; M309-K311 PolarHBondContact O-N 3.25Å; K311-Y316 HydrophobicContact CB-CD1 4.09Å; K311-Y316 HydrophobicContact CB-CE1 3.95Å; K311-Y316 HydrophobicContact CG-CD1 4.26Å; K311-Y316 HydrophobicContact CG-CE1 3.83Å; K311-Y316 HydrophobicContact CG-CE2 4.11Å; K311-Y316 WeakPolarHBondContact O-CD1 3.47Å; K311-Y316 WeakPolarHBondContact O-CE1 3.13Å
312T92.3Very high91.7Very high93 Ų9372.9 Ų72.957%0.57134%0.338SS*.THydrogen-bonded Turntrans-90.9-8.4175.567.80000112.6M309 W310 I317M309-T312 WeakPolarHBondContact O-CB 3.24Å; M309-T312 PolarHBondContact O-N 3.04Å; M309-T312 PolarHBondContact O-OG1 2.91Å; W310-T312 PolarHBondContact O-N 3.17Å; W310-T312 VanDerWaalsContact O-N 3.09Å; T312-I317 WeakPolarHBondContact O-CD1 3.44Å
313T88.7Confident91.2Very high30 Ų3078.2 Ų78.218%0.18436%0.36CS..SBendtrans-66.8146.2-179.764.30000111.7M265 W310 R315 Y316 I317M265-T313 HydrophobicContact CE-CG2 3.39Å; M265-T313 HydrophobicContact SD-CG2 4.23Å; W310-T313 VanDerWaalsContact O-CB 3.28Å; W310-T313 WeakPolarHBondContact O-CB 3.49Å; W310-T313 VanDerWaalsContact O-CG2 3.23Å; W310-T313 WeakPolarHBondContact O-CG2 3.34Å; W310-T313 PolarHBondContact O-N 2.82Å; W310-T313 PolarHBondContact O-OG1 3.41Å; T313-R315 PolarHBondContact O-N 2.76Å; T313-Y316 PolarHBondContact O-N 2.92Å; T313-Y316 VanDerWaalsContact O-N 3.16Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.29Å; T313-Y316 PolarHBondContact OG1-N 2.85Å; T313-I317 WeakPolarHBondContact O-CG1 3.2Å; T313-I317 PolarHBondContact O-N 2.89Å
314D86.6Confident90.4Very high124 Ų12480.6 Ų80.666%0.66338%0.38SS*.Hα-helixtrans-56-38174.7-73-42000111.9Y316 I317 Q318D314-Y316 PolarHBondContact O-N 2.88Å; D314-I317 PolarHBondContact O-N 2.81Å; D314-Q318 WeakPolarHBondContact O-CB 3.41Å; D314-Q318 VanDerWaalsContact O-CG 3.22Å; D314-Q318 WeakPolarHBondContact O-CG 3.46Å; D314-Q318 PolarHBondContact O-N 3.5Å
315R84.2Confident89.8Confident160 Ų16081.4 Ų81.460%0.60439%0.391SS*.Hα-helixtrans-57.1-50.6177.1-176.4178.1173.2106-2.1111.3E277 T313 Q319E277-R315 VanDerWaalsContact CD-NE 3.31Å; E277-R315 WeakPolarHBondContact OE1-CD 3.34Å; E277-R315 IonicContact OE1-CZ 3.57Å; E277-R315 IonicContact OE1-NE 3.74Å; E277-R315 PolarHBondContact OE1-NE 2.74Å; E277-R315 IonicContact OE2-CZ 2.71Å; E277-R315 IonicContact OE2-NE 2.67Å; E277-R315 PolarHBondContact OE2-NE 2.75Å; E277-R315 IonicContact OE2-NH2 3.44Å; E277-R315 PolarHBondContact OE2-NH2 3.37Å; T313-R315 PolarHBondContact O-N 2.76Å; R315-Q319 WeakPolarHBondContact O-CB 3.39Å; R315-Q319 PolarHBondContact O-N 2.85Å
316Y87.7Confident89.1Confident39 Ų3983.5 Ų83.515%0.15340%0.401CS..Hα-helixtrans-64.3-44.9176.7174.1-98.7000112.3W310 K311 T313 D314 Q318 Q319 K320W310-Y316 AromaticContact CE3-CD2 3.91Å; W310-Y316 HydrophobicContact CE3-CD2 3.91Å; W310-Y316 HydrophobicContact CE3-CG 4.33Å; W310-Y316 AromaticContact CH2-CD2 3.4Å; W310-Y316 HydrophobicContact CH2-CD2 3.4Å; W310-Y316 HydrophobicContact CH2-CE2 4.17Å; W310-Y316 HydrophobicContact CH2-CG 4.25Å; W310-Y316 HydrophobicContact CZ2-CD2 4.27Å; W310-Y316 AromaticContact CZ3-CD2 3.17Å; W310-Y316 HydrophobicContact CZ3-CD2 3.17Å; W310-Y316 AromaticContact CZ3-CE2 3.67Å; W310-Y316 HydrophobicContact CZ3-CE2 3.67Å; W310-Y316 AromaticContact CZ3-CG 3.99Å; W310-Y316 HydrophobicContact CZ3-CG 3.99Å; K311-Y316 HydrophobicContact CB-CD1 4.09Å; K311-Y316 HydrophobicContact CB-CE1 3.95Å; K311-Y316 HydrophobicContact CG-CD1 4.26Å; K311-Y316 HydrophobicContact CG-CE1 3.83Å; K311-Y316 HydrophobicContact CG-CE2 4.11Å; K311-Y316 WeakPolarHBondContact O-CD1 3.47Å; K311-Y316 WeakPolarHBondContact O-CE1 3.13Å; T313-Y316 PolarHBondContact O-N 2.92Å; T313-Y316 VanDerWaalsContact O-N 3.16Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.29Å; T313-Y316 PolarHBondContact OG1-N 2.85Å; D314-Y316 PolarHBondContact O-N 2.88Å; Y316-Q318 VanDerWaalsContact C-N 3.31Å; Y316-Q318 PolarHBondContact O-N 3.5Å; Y316-Q319 PolarHBondContact O-N 3.01Å; Y316-K320 HydrophobicContact CE1-CD 4.23Å; Y316-K320 WeakPolarHBondContact O-CB 3.35Å; Y316-K320 PolarHBondContact O-N 3.39Å
317I89.4Confident88.1Confident57 Ų5785.8 Ų85.829%0.29242%0.42SS..Hα-helixtrans-61.2-43.1-178.9-66.4169.1000110.3T312 T313 D314 K320 R321T312-I317 WeakPolarHBondContact O-CD1 3.44Å; T313-I317 WeakPolarHBondContact O-CG1 3.2Å; T313-I317 PolarHBondContact O-N 2.89Å; D314-I317 PolarHBondContact O-N 2.81Å; I317-K320 PolarHBondContact O-N 3.02Å; I317-R321 WeakPolarHBondContact O-CG 3.44Å; I317-R321 PolarHBondContact O-N 2.82Å
318Q86.8Confident87Confident119 Ų11990.3 Ų90.356%0.55645%0.445SS*.Hα-helixtrans-62.1-47.8174.6-73.6176.49.800111.4D314 Y316 K320 R321 L322D314-Q318 WeakPolarHBondContact O-CB 3.41Å; D314-Q318 VanDerWaalsContact O-CG 3.22Å; D314-Q318 WeakPolarHBondContact O-CG 3.46Å; D314-Q318 PolarHBondContact O-N 3.5Å; Y316-Q318 VanDerWaalsContact C-N 3.31Å; Y316-Q318 PolarHBondContact O-N 3.5Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 2.98Å; Q318-R321 PolarHBondContact O-N 3.39Å; Q318-R321 VanDerWaalsContact O-N 3.16Å; Q318-L322 WeakPolarHBondContact O-CG 3.49Å; Q318-L322 PolarHBondContact O-N 2.83Å
319Q85.1Confident85.9Confident52 Ų5288.2 Ų88.224%0.24345%0.45CS..Hα-helixtrans-58-41.4177-165-17323.600111.6E281 R315 Y316 L322 K323E281-Q319 PolarHBondContact OE1-NE2 3.09Å; R315-Q319 WeakPolarHBondContact O-CB 3.39Å; R315-Q319 PolarHBondContact O-N 2.85Å; Y316-Q319 PolarHBondContact O-N 3.01Å; Q319-L322 PolarHBondContact O-N 2.75Å; Q319-K323 WeakPolarHBondContact O-CG 3.31Å; Q319-K323 PolarHBondContact O-N 3.08Å
320K86.8Confident85.3Confident131 Ų13190.4 Ų90.457%0.5746%0.459SS*.Hα-helixtrans-66.4-41.6176.6-171.1-177.1177.2-171.20112.2Y316 I317 Q318 K323 A324Y316-K320 HydrophobicContact CE1-CD 4.23Å; Y316-K320 WeakPolarHBondContact O-CB 3.35Å; Y316-K320 PolarHBondContact O-N 3.39Å; I317-K320 PolarHBondContact O-N 3.02Å; Q318-K320 VanDerWaalsContact C-N 3.28Å; Q318-K320 PolarHBondContact O-N 2.98Å; K320-K323 PolarHBondContact O-N 3Å; K320-A324 WeakPolarHBondContact O-CB 3.44Å; K320-A324 PolarHBondContact O-N 3.47Å
321R88.7Confident84.8Confident179 Ų17992.8 Ų92.868%0.67547%0.472SS*.Hα-helixtrans-62.3-42.2175.6-75.4175.7-178.6176.42.7111.5I317 Q318 A324 A325I317-R321 WeakPolarHBondContact O-CG 3.44Å; I317-R321 PolarHBondContact O-N 2.82Å; Q318-R321 PolarHBondContact O-N 3.39Å; Q318-R321 VanDerWaalsContact O-N 3.16Å; R321-A324 PolarHBondContact O-N 2.94Å; R321-A325 WeakPolarHBondContact O-CB 3.45Å; R321-A325 PolarHBondContact O-N 3.33Å
322L86.9Confident84.6Confident128 Ų12895.8 Ų95.867%0.6749%0.485SS*.Hα-helixtrans-62.8-47175.9-69.4171.6000111.6Q318 Q319 A324 A325 E326Q318-L322 WeakPolarHBondContact O-CG 3.49Å; Q318-L322 PolarHBondContact O-N 2.83Å; Q319-L322 PolarHBondContact O-N 2.75Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.79Å; L322-A325 PolarHBondContact O-N 3.44Å; L322-E326 PolarHBondContact O-N 3.45Å
323K85.4Confident84.4Confident119 Ų11995.6 Ų95.652%0.51748%0.477SS..Hα-helixtrans-61.6-37.2175.1-74.3179.3177.8174.90112.7Q319 K320 E326 A327Q319-K323 WeakPolarHBondContact O-CG 3.31Å; Q319-K323 PolarHBondContact O-N 3.08Å; K320-K323 PolarHBondContact O-N 3Å; K323-E326 PolarHBondContact O-N 2.89Å; K323-A327 PolarHBondContact O-N 2.99Å
324A82.6Confident84.6Confident51 Ų5195 Ų9542%0.42147%0.474SS..Hα-helixtrans-68.1-42.6175.700000111.9K320 R321 L322 E326 A327 D328K320-A324 WeakPolarHBondContact O-CB 3.44Å; K320-A324 PolarHBondContact O-N 3.47Å; R321-A324 PolarHBondContact O-N 2.94Å; L322-A324 VanDerWaalsContact C-N 3.31Å; L322-A324 PolarHBondContact O-N 2.79Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.33Å; A324-A327 PolarHBondContact O-N 3.41Å; A324-A327 VanDerWaalsContact O-N 3.17Å; A324-D328 PolarHBondContact O-N 3.12Å
325A84.2Confident84.8Confident62 Ų6296.1 Ų96.151%0.51247%0.47SS..Hα-helixtrans-62-39.2174.700000111.8R321 L322 D328 S329R321-A325 WeakPolarHBondContact O-CB 3.45Å; R321-A325 PolarHBondContact O-N 3.33Å; L322-A325 PolarHBondContact O-N 3.44Å; A325-D328 PolarHBondContact O-N 3.02Å; A325-S329 PolarHBondContact O-N 3.16Å
326E82.9Confident85Confident131 Ų13189.1 Ų89.161%0.61244%0.444SS*.Hα-helixtrans-63.3-42.9172.6-171.3-176175.400111.6L322 K323 A324 S329L322-E326 PolarHBondContact O-N 3.45Å; K323-E326 PolarHBondContact O-N 2.89Å; A324-E326 VanDerWaalsContact C-N 3.3Å; A324-E326 PolarHBondContact O-N 3.33Å; E326-S329 WeakPolarHBondContact O-CB 3.4Å; E326-S329 PolarHBondContact O-N 3.33Å; E326-S329 PolarHBondContact O-OG 3.41Å
327A76.1Confident84.9Confident49 Ų4991.6 Ų91.641%0.40547%0.465SS..Hα-helixtrans-65.5-38.2175.300000112.8K323 A324 S329 K330K323-A327 PolarHBondContact O-N 2.99Å; A324-A327 PolarHBondContact O-N 3.41Å; A324-A327 VanDerWaalsContact O-N 3.17Å; A327-S329 PolarHBondContact O-N 3.47Å; A327-K330 VanDerWaalsContact O-CB 3.22Å; A327-K330 WeakPolarHBondContact O-CB 3.48Å; A327-K330 WeakPolarHBondContact O-CG 3.29Å; A327-K330 PolarHBondContact O-N 3.45Å; A327-K330 VanDerWaalsContact O-N 3.11Å
328D73.5Confident84.5Confident106 Ų10693.5 Ų93.557%0.56748%0.48SS*.Hα-helixtrans-69.7-22.3175.2-92-28.6000112.9A324 A325 K330 K332A324-D328 PolarHBondContact O-N 3.12Å; A325-D328 PolarHBondContact O-N 3.02Å; D328-K330 PolarHBondContact O-N 3.41Å; D328-K332 IonicContact OD1-NZ 3.02Å; D328-K332 PolarHBondContact OD1-NZ 3.07Å
329S73.4Confident83.9Confident95 Ų9593.7 Ų93.766%0.66448%0.476SS*.THydrogen-bonded Turntrans-72.4-12.717182.80000113.4A325 E326 A327A325-S329 PolarHBondContact O-N 3.16Å; E326-S329 WeakPolarHBondContact O-CB 3.4Å; E326-S329 PolarHBondContact O-N 3.33Å; E326-S329 PolarHBondContact O-OG 3.41Å; A327-S329 PolarHBondContact O-N 3.47Å
330K80.8Confident83.1Confident99 Ų9997.3 Ų97.343%0.4350%0.502SS..SBendtrans-68.7146.7175.5-62-177.5174.8-1700111E29 A327 D328 K332E29-K330 WeakPolarHBondContact OE1-CD 3.32Å; E29-K330 WeakPolarHBondContact OE1-CE 3.3Å; E29-K330 IonicContact OE1-NZ 2.81Å; E29-K330 PolarHBondContact OE1-NZ 3.24Å; A327-K330 VanDerWaalsContact O-CB 3.22Å; A327-K330 WeakPolarHBondContact O-CB 3.48Å; A327-K330 WeakPolarHBondContact O-CG 3.29Å; A327-K330 PolarHBondContact O-N 3.45Å; A327-K330 VanDerWaalsContact O-N 3.11Å; D328-K330 PolarHBondContact O-N 3.41Å; K330-K332 PolarHBondContact O-N 3.14Å
331L84.5Confident82.6Confident58 Ų5898 Ų9830%0.30451%0.505SS..BIsolated β-bridgetrans-65.2121.6-179.5-72.2172.4000110.4L30 K32 V38L30-L331 HydrophobicContact CB-CB 3.89Å; K32-L331 HydrophobicContact CB-CD1 3.71Å; K32-L331 HydrophobicContact CB-CG 4.41Å; K32-L331 HydrophobicContact CD-CD1 4.48Å; K32-L331 HydrophobicContact CG-CD1 4.35Å; V38-L331 HydrophobicContact CG1-CD1 3.96Å; V38-L331 HydrophobicContact CG2-CD1 3.85Å
332K89.1Confident81.7Confident129 Ų12994.9 Ų94.956%0.56151%0.508SS*.SBendtrans-89.3-22.6173.3-62.6-177.8-177.8177.50112.5R7 V8 D328 K330R7-K332 WeakPolarHBondContact CA-O 3.27Å; V8-K332 PolarHBondContact N-O 2.87Å; V8-K332 VanDerWaalsContact N-O 3.11Å; D328-K332 IonicContact OD1-NZ 3.02Å; D328-K332 PolarHBondContact OD1-NZ 3.07Å; K330-K332 PolarHBondContact O-N 3.14Å
333Q90Very high81.3Confident89 Ų8990.7 Ų90.742%0.41649%0.486SS..EExtended strand (participates in β ladder)trans-148.7154.8-179.466.6-174.20.500112.3M5 Y6 R7M5-Q333 HydrophobicContact CG-CB 4.5Å; M5-Q333 PolarHBondContact SD-OE1 3.38Å; Y6-Q333 CarbonylContact O-C 3.59Å; Y6-Q333 WeakPolarHBondContact O-CA 3.5Å; Y6-Q333 WeakPolarHBondContact O-CB 3.26Å; R7-Q333 HydrophobicContact CG-CB 3.95Å; R7-Q333 VanDerWaalsContact NH2-OE1 3.08Å
334V91.6Very high81.1Confident19 Ų1989.6 Ų89.612%0.11549%0.491CS..EExtended strand (participates in β ladder)trans-136.7140.2176.663.90000110.4Y6 L30 V38 A99 I336Y6-V334 PolarHBondContact N-O 2.99Å; Y6-V334 PolarHBondContact O-N 3.13Å; L30-V334 HydrophobicContact CD1-CB 4.17Å; L30-V334 HydrophobicContact CD1-CG1 3.88Å; L30-V334 HydrophobicContact CD2-CG1 4.02Å; V38-V334 HydrophobicContact CB-CG2 4.22Å; V38-V334 HydrophobicContact CG1-CB 4.37Å; V38-V334 HydrophobicContact CG1-CG2 4.05Å; V38-V334 HydrophobicContact CG2-CG2 4.15Å; A99-V334 HydrophobicContact CB-CG1 4.5Å; V334-I336 HydrophobicContact CG1-CD1 4.18Å; V334-I336 HydrophobicContact CG1-CG1 4.23Å; V334-I336 HydrophobicContact CG2-CG1 4.28Å
335Y91.3Very high81.1Confident146 Ų14688.7 Ų88.757%0.57348%0.479SS*.EExtended strand (participates in β ladder)trans-96.6127.9169.9178.8-94.6000109.6N4 P337N4-Y335 HydrophobicContact CB-CD2 3.88Å; N4-Y335 HydrophobicContact CB-CE2 3.38Å; N4-Y335 WeakPolarHBondContact O-CA 3.2Å; Y335-P337 HydrophobicContact CD1-CG 4.38Å; Y335-P337 HydrophobicContact CE1-CB 4.48Å; Y335-P337 HydrophobicContact CE1-CG 4.07Å
336I89.1Confident81.1Confident14 Ų1489.4 Ų89.47%0.07247%0.472CS..  trans-119113.1-179.2-57.3171.3000108.5N4 Y6 A99 I102 V334N4-I336 VanDerWaalsContact CB-O 3.3Å; N4-I336 WeakPolarHBondContact CB-O 3.36Å; N4-I336 PolarHBondContact O-N 3.4Å; Y6-I336 HydrophobicContact CD2-CB 4.18Å; Y6-I336 HydrophobicContact CD2-CD1 3.59Å; Y6-I336 HydrophobicContact CD2-CG1 3.93Å; Y6-I336 HydrophobicContact CE2-CB 3.92Å; Y6-I336 HydrophobicContact CE2-CD1 3.86Å; Y6-I336 HydrophobicContact CE2-CG1 4.16Å; Y6-I336 HydrophobicContact CG-CD1 4.3Å; A99-I336 HydrophobicContact CB-CD1 4.22Å; A99-I336 WeakPolarHBondContact O-CD1 3.33Å; I102-I336 HydrophobicContact CB-CD1 3.69Å; I102-I336 HydrophobicContact CD1-CD1 3.77Å; I102-I336 HydrophobicContact CG1-CD1 4.2Å; I102-I336 HydrophobicContact CG2-CD1 4.27Å; V334-I336 HydrophobicContact CG1-CD1 4.18Å; V334-I336 HydrophobicContact CG1-CG1 4.23Å; V334-I336 HydrophobicContact CG2-CG1 4.28Å
337P85.3Confident81.1Confident90 Ų9086.1 Ų86.158%0.58446%0.458SS*.  trans-59150.9177.2-22.632.4000112.6Y335 Y339Y335-P337 HydrophobicContact CD1-CG 4.38Å; Y335-P337 HydrophobicContact CE1-CB 4.48Å; Y335-P337 HydrophobicContact CE1-CG 4.07Å; P337-Y339 PolarHBondContact O-N 3.42Å
338T79.8Confident81Confident98 Ų9891.9 Ų91.960%0.60148%0.478SS*.  trans-60.5130.3177.6-540000111N4 T340N4-T338 PolarHBondContact ND2-OG1 3.25Å; T338-T340 PolarHBondContact O-N 2.71Å
339Y74.3Confident80.3Confident122 Ų12292.7 Ų92.748%0.47848%0.48SS..  trans-80.8109.6-179.3-168.2-98.7000110.7R103 P337 K341R103-Y339 VanDerWaalsContact CZ-CG 3.5Å; R103-Y339 VanDerWaalsContact NH1-CD2 3.25Å; R103-Y339 VanDerWaalsContact NH1-CG 3.34Å; P337-Y339 PolarHBondContact O-N 3.42Å; Y339-K341 HydrophobicContact CD1-CB 4.31Å; Y339-K341 HydrophobicContact CE1-CB 3.65Å; Y339-K341 HydrophobicContact CE1-CD 4.49Å; Y339-K341 HydrophobicContact CE1-CG 4.1Å; Y339-K341 HydrophobicContact CE2-CD 4.38Å; Y339-K341 HydrophobicContact CE2-CG 4.32Å
340T69.8Low79Confident129 Ų12992.9 Ų92.979%0.79148%0.479SS*.  trans-104.313-173.249.10000114.6T338T338-T340 PolarHBondContact O-N 2.71Å
341K74.4Confident77.2Confident144 Ų14491.3 Ų91.363%0.62649%0.492SS*.PPolyproline II helixtrans-70.8140.6178.1-63.1-161.7-175.5-178.80111.2Y339 N343Y339-K341 HydrophobicContact CD1-CB 4.31Å; Y339-K341 HydrophobicContact CE1-CB 3.65Å; Y339-K341 HydrophobicContact CE1-CD 4.49Å; Y339-K341 HydrophobicContact CE1-CG 4.1Å; Y339-K341 HydrophobicContact CE2-CD 4.38Å; Y339-K341 HydrophobicContact CE2-CG 4.32Å; K341-N343 PolarHBondContact O-N 2.84Å
342P71.7Confident75.2Confident115 Ų11594.6 Ų94.675%0.74752%0.519SS*.PPolyproline II helixtrans-59.8134178.822.9-31.8000110.8
343N77.8Confident72.5Confident40 Ų4097.7 Ų97.721%0.21453%0.533CS..PPolyproline II helixtrans-75.6121.8-179.8180-9.8000109K341 N345 Q346 Y380 W396K341-N343 PolarHBondContact O-N 2.84Å; N343-N345 PolarHBondContact O-N 2.75Å; N343-N345 VanDerWaalsContact O-N 3.09Å; N343-N345 PolarHBondContact OD1-N 2.87Å; N343-Q346 HydrophobicContact CB-CB 4.3Å; N343-Q346 WeakPolarHBondContact O-CB 3.43Å; N343-Q346 PolarHBondContact O-N 3.01Å; N343-Y380 HydrophobicContact CB-CE1 4.42Å; N343-Y380 WeakPolarHBondContact ND2-CE1 3.44Å; N343-W396 PolarHBondContact ND2-NE1 3.1Å
344P81.3Confident70Confident95 Ų95100.2 Ų100.262%0.61756%0.557SS**THydrogen-bonded Turntrans-63.2-19.3-17825.9-35.5000113.7S18 Q346S18-P344 WeakPolarHBondContact OG-CG 3.37Å; P344-Q346 VanDerWaalsContact C-N 3.33Å
345N83.1Confident67.3Low32 Ų32102.7 Ų102.717%0.17159%0.586CS.*THydrogen-bonded Turntrans-88.60.4177.2-61.2-45.8000112.9S19 N343 I347 Y380 A381 W396S19-N345 PolarHBondContact OG-ND2 3.37Å; N343-N345 PolarHBondContact O-N 2.75Å; N343-N345 VanDerWaalsContact O-N 3.09Å; N343-N345 PolarHBondContact OD1-N 2.87Å; N345-I347 PolarHBondContact O-N 2.73Å; N345-Y380 CarbonylContact O-C 3.54Å; N345-Y380 WeakPolarHBondContact O-CA 3.49Å; N345-A381 PolarHBondContact O-N 3.17Å; N345-W396 HydrophobicContact CB-CH2 3.62Å; N345-W396 HydrophobicContact CB-CZ2 4.02Å; N345-W396 HydrophobicContact CB-CZ3 4.29Å; N345-W396 WeakPolarHBondContact ND2-CH2 3.45Å
346Q84.4Confident64.4Low78 Ų78103.5 Ų103.536%0.36460%0.6SS.*EExtended strand (participates in β ladder)trans-75.8122.5179.3-168.9174.3-6.800110.4N343 P344 M348 Q378 Y380N343-Q346 HydrophobicContact CB-CB 4.3Å; N343-Q346 WeakPolarHBondContact O-CB 3.43Å; N343-Q346 PolarHBondContact O-N 3.01Å; P344-Q346 VanDerWaalsContact C-N 3.33Å; Q346-M348 PolarHBondContact O-N 2.68Å; Q346-Q378 HydrophobicContact CG-CG 3.86Å; Q346-Y380 HydrophobicContact CB-CD1 4.24Å; Q346-Y380 HydrophobicContact CB-CE1 4.02Å; Q346-Y380 HydrophobicContact CG-CE1 4.12Å
347I82.3Confident62.1Low61 Ų61110.3 Ų110.331%0.31364%0.636SS.*EExtended strand (participates in β ladder)trans-83.9115.6177.2-57.5173.4000108.1N345 Q378 W379 A381 R390N345-I347 PolarHBondContact O-N 2.73Å; I347-Q378 PolarHBondContact O-NE2 3.03Å; I347-W379 HydrophobicContact CB-CB 4.19Å; I347-W379 HydrophobicContact CD1-CB 4.15Å; I347-W379 PolarHBondContact N-O 3.17Å; I347-A381 HydrophobicContact CD1-CB 4.28Å; I347-A381 HydrophobicContact CG1-CB 4.27Å; I347-R390 HydrophobicContact CD1-CB 4.36Å
348M73.9Confident59.6Low170 Ų170109.9 Ų109.984%0.83765%0.648SS**PPolyproline II helixtrans-71.4130.5173.7-69-177.47300109.8Q346Q346-M348 PolarHBondContact O-N 2.68Å
349M58.1Low57.3Low123 Ų123110 Ų11061%0.60666%0.659SS**PPolyproline II helixtrans-74.6127.1168.8-63.4-71.4-91.200107.9G351M349-G351 PolarHBondContact O-N 3.02Å; M349-G351 VanDerWaalsContact O-N 3.17Å
350P47.8Very low55.5Low99 Ų99109.5 Ų109.564%0.64368%0.68SS**PPolyproline II helixtrans-68.5116.1172.423.9-25.2000108.6F362P350-F362 HydrophobicContact CG-CE2 4.37Å
351G41.8Very low53.9Low67 Ų67106.1 Ų106.169%0.69167%0.671SS**PPolyproline II helixtrans-64.4144.3172.700000111.4M349 K353M349-G351 PolarHBondContact O-N 3.02Å; M349-G351 VanDerWaalsContact O-N 3.17Å; G351-K353 PolarHBondContact O-N 3.44Å
352S42.2Very low52.2Low126 Ų126107.5 Ų107.588%0.88168%0.677SS**  trans-39.5104.7175.7-60.30000114.3
353K33.1Very low51Low195 Ų195109.2 Ų109.285%0.84868%0.675SS**  trans-136.9120.2151-75-167.8177.7-1780108.7G351 G355G351-K353 PolarHBondContact O-N 3.44Å; K353-G355 PolarHBondContact O-N 2.94Å
354P38Very low49.2Very low141 Ų141117.5 Ų117.592%0.91671%0.709SS**  trans-79.9114171.129.4-26.1000108.6
355G33.5Very low47.9Very low71 Ų71116.4 Ų116.473%0.73272%0.716SS**  trans169.795.7176.400000115.1K353K353-G355 PolarHBondContact O-N 2.94Å
356L31.7Very low47.2Very low164 Ų164118.5 Ų118.586%0.85973%0.726SS**  trans72.5104.9147.2-151.563.2000120.2
357N39.9Very low47.1Very low156 Ų156116.8 Ų116.883%0.83472%0.723SS**  trans10.3119.8148.8-63.1-12.9000119.7
358G33.2Very low47.4Very low81 Ų81113.9 Ų113.984%0.83571%0.708SS**  trans153.758.1152.800000117.4
359A30.9Very low48.1Very low101 Ų101108.5 Ų108.584%0.83568%0.681SS**  trans-174.1123.7148.400000110.4
360A36.3Very low49.4Very low112 Ų112102.7 Ų102.793%0.92665%0.652SS**  trans-59.9138.8175.100000112.1
361G35.6Very low51.3Low58 Ų58100.7 Ų100.760%0.59864%0.64SS**  trans131.320.6152.400000119.6Q363G361-Q363 PolarHBondContact O-N 3.11Å
362F40.4Very low53.5Low172 Ų172103.2 Ų103.275%0.75463%0.634SS**  trans-89.878.2166-126.4-91.7000110.1P350 K364P350-F362 HydrophobicContact CG-CE2 4.37Å; F362-K364 PolarHBondContact O-N 3.39Å
363Q45.2Very low55.5Low152 Ų15299.5 Ų99.571%0.7161%0.606SS**  trans-77.1118.5173.2-71.5-74.9-22.300109.6G361 G365G361-Q363 PolarHBondContact O-N 3.11Å; Q363-G365 PolarHBondContact O-N 3.11Å
364K40.4Very low58Low213 Ų21393.9 Ų93.993%0.92660%0.596SS**THydrogen-bonded Turntrans-53123.6162.6-92.9176.8170.41780108.4F362F362-K364 PolarHBondContact O-N 3.39Å
365G53.5Low60.2Low73 Ų7395.2 Ų95.275%0.75359%0.59SS**THydrogen-bonded Turntrans128.92.1165.400000118Q363 S367Q363-G365 PolarHBondContact O-N 3.11Å; G365-S367 PolarHBondContact O-N 2.92Å; G365-S367 VanDerWaalsContact O-N 3.13Å
366L68.3Low62.7Low75 Ų7593.1 Ų93.139%0.39356%0.564SS.*  trans-77.9101.5-179.2-68.1167.2000111.5R390L366-R390 VanDerWaalsContact CB-CZ 3.4Å; L366-R390 PolarHBondContact O-NE 2.88Å; L366-R390 PolarHBondContact O-NH2 2.83Å
367S84.1Confident65.3Low43 Ų4391.2 Ų91.230%0.30156%0.562SS.*  trans-77.4165.1174.360.70000112.5G365 E369 H372 T373G365-S367 PolarHBondContact O-N 2.92Å; G365-S367 VanDerWaalsContact O-N 3.13Å; S367-E369 PolarHBondContact O-N 3.43Å; S367-H372 VanDerWaalsContact CB-O 3.28Å; S367-H372 WeakPolarHBondContact CB-O 3.39Å; S367-T373 CarbonylContact C-O 3.6Å; S367-T373 WeakPolarHBondContact CA-O 3.29Å
368C87.7Confident67.6Low0 Ų085.6 Ų85.60%053%0.53CS..  trans-60.7131.7170.21780000111.1S370 C371 H372 T373 W379 C392C368-S370 PolarHBondContact O-N 3.36Å; C368-S370 VanDerWaalsContact O-N 3.12Å; C368-C371 PolarHBondContact O-N 2.87Å; C368-H372 WeakPolarHBondContact O-CA 3.32Å; C368-H372 PolarHBondContact O-N 3.31Å; C368-T373 HydrophobicContact CB-CG2 3.82Å; C368-T373 PolarHBondContact N-O 3.24Å; C368-W379 HydrophobicContact CB-CH2 4.34Å; C368-W379 HydrophobicContact CB-CZ3 4.06Å; C368-C392 HydrophobicContact CB-CB 4.09Å; C368-C392 PolarHBondContact SG-N 3.47Å; C368-C392 VanDerWaalsContact SG-N 3.37Å
369E87.6Confident70.2Confident56 Ų5682.4 Ų82.426%0.26249%0.493SS..THydrogen-bonded Turntrans-63.5-22.6-177.6-161.759.2-151.100113.7S367 W382 R390 L391 L405 T409S367-E369 PolarHBondContact O-N 3.43Å; E369-W382 HydrophobicContact CG-CZ3 4.31Å; E369-R390 PolarHBondContact N-O 3.14Å; E369-R390 VanDerWaalsContact N-O 3.15Å; E369-L391 HydrophobicContact CB-CD2 3.99Å; E369-L405 HydrophobicContact CB-CD1 4.38Å; E369-L405 HydrophobicContact CG-CD1 4.19Å; E369-T409 HydrophobicContact CG-CG2 3.92Å; E369-T409 VanDerWaalsContact OE1-CG2 3.22Å; E369-T409 WeakPolarHBondContact OE1-CG2 3.44Å
370S86.1Confident73Confident1 Ų179.3 Ų79.31%0.00746%0.46CS..THydrogen-bonded Turntrans-104.2-18.8-175.6173.30000115.2C368 C395 K406 T407C368-S370 PolarHBondContact O-N 3.36Å; C368-S370 VanDerWaalsContact O-N 3.12Å; S370-C395 VanDerWaalsContact CB-SG 3.57Å; S370-C395 PolarHBondContact OG-SG 2.92Å; S370-K406 PolarHBondContact OG-N 3.38Å; S370-T407 PolarHBondContact O-OG1 3.41Å
371C88Confident75.5Confident57 Ų5776 Ų7639%0.38543%0.433SS..THydrogen-bonded Turntrans-140.53.8-178.7670000113.1C368 T373 C392 C395C368-C371 PolarHBondContact O-N 2.87Å; C371-T373 PolarHBondContact O-N 2.89Å; C371-T373 WeakPolarHBondContact SG-CG2 3.25Å; C371-C392 VanDerWaalsContact SG-SG 3.64Å; C371-C395 VanDerWaalsContact SG-SG 3.61Å
372H86.9Confident77.9Confident120 Ų12076 Ų7656%0.55642%0.415SS*.  trans52.816.5179.2-51.9-64.3000115.2S367 C368S367-H372 VanDerWaalsContact CB-O 3.28Å; S367-H372 WeakPolarHBondContact CB-O 3.39Å; C368-H372 WeakPolarHBondContact O-CA 3.32Å; C368-H372 PolarHBondContact O-N 3.31Å
373T85.9Confident79.7Confident48 Ų4870.2 Ų70.229%0.29440%0.404SS..  trans-66.4139.3171.7-170.20000110.4S367 C368 C371 Q375 W379 C392S367-T373 CarbonylContact C-O 3.6Å; S367-T373 WeakPolarHBondContact CA-O 3.29Å; C368-T373 HydrophobicContact CB-CG2 3.82Å; C368-T373 PolarHBondContact N-O 3.24Å; C371-T373 PolarHBondContact O-N 2.89Å; C371-T373 WeakPolarHBondContact SG-CG2 3.25Å; T373-Q375 VanDerWaalsContact CG2-O 3.31Å; T373-Q375 WeakPolarHBondContact CG2-O 3.5Å; T373-Q375 PolarHBondContact OG1-N 3Å; T373-Q375 PolarHBondContact OG1-O 3.18Å; T373-Q375 VanDerWaalsContact OG1-O 3.12Å; T373-W379 WeakPolarHBondContact O-CH2 3.5Å; T373-C392 HydrophobicContact CG2-CB 3.82Å
374A84.2Confident81.2Confident78 Ų7866.2 Ų66.265%0.64539%0.391SS*.SBendtrans-92.4-5.1169.900000112.5
375Q84.4Confident82.5Confident168 Ų16862.1 Ų62.179%0.78539%0.386SS*.  trans-117.1127.7-175.7-61.3-179.216.100110.6T373T373-Q375 VanDerWaalsContact CG2-O 3.31Å; T373-Q375 WeakPolarHBondContact CG2-O 3.5Å; T373-Q375 PolarHBondContact OG1-N 3Å; T373-Q375 PolarHBondContact OG1-O 3.18Å; T373-Q375 VanDerWaalsContact OG1-O 3.12Å
376S86Confident83.4Confident27 Ų2765 Ų6519%0.18938%0.384CS..  trans-155142.5172.3-163.50000110.5Q378 C392 A393S376-Q378 PolarHBondContact O-N 2.92Å; S376-Q378 PolarHBondContact OG-O 3.45Å; S376-C392 WeakPolarHBondContact OG-CA 3.45Å; S376-C392 VanDerWaalsContact OG-CB 3.29Å; S376-C392 WeakPolarHBondContact OG-CB 3.44Å; S376-A393 PolarHBondContact OG-N 3.44Å
377P86Confident83.5Confident124 Ų12466.4 Ų66.481%0.80539%0.39SS*.SBendtrans-63.3-27.5173.426.1-35.8000112.3A393P377-A393 HydrophobicContact CG-CB 4.27Å
378Q88.1Confident83Confident38 Ų3871.1 Ų71.118%0.17841%0.407CS..SBendtrans-149.4136.8-179.3-175.256.662.800110.6Q346 I347 S376 Y380 A393Q346-Q378 HydrophobicContact CG-CG 3.86Å; I347-Q378 PolarHBondContact O-NE2 3.03Å; S376-Q378 PolarHBondContact O-N 2.92Å; S376-Q378 PolarHBondContact OG-O 3.45Å; Q378-Y380 HydrophobicContact CB-CE2 4.16Å; Q378-Y380 HydrophobicContact CG-CD2 4.4Å; Q378-Y380 HydrophobicContact CG-CE1 4.35Å; Q378-Y380 HydrophobicContact CG-CE2 3.67Å; Q378-A393 HydrophobicContact CB-CB 4.37Å; Q378-A393 PolarHBondContact O-N 2.81Å; Q378-A393 VanDerWaalsContact O-N 3.11Å
379W89.4Confident82.8Confident14 Ų1472.3 Ų72.35%0.05342%0.415CS..EExtended strand (participates in β ladder)trans-106.3143.9176.4-67.796.1000111.4I347 C368 T373 R390 C392I347-W379 HydrophobicContact CB-CB 4.19Å; I347-W379 HydrophobicContact CD1-CB 4.15Å; I347-W379 PolarHBondContact N-O 3.17Å; C368-W379 HydrophobicContact CB-CH2 4.34Å; C368-W379 HydrophobicContact CB-CZ3 4.06Å; T373-W379 WeakPolarHBondContact O-CH2 3.5Å; W379-R390 HydrophobicContact CE3-CB 4.16Å; W379-R390 HydrophobicContact CE3-CG 3.7Å; W379-R390 HydrophobicContact CZ3-CG 3.84Å; W379-C392 HydrophobicContact CZ3-CB 4.3Å
380Y89.3Confident82.8Confident36 Ų3672.1 Ų72.114%0.14141%0.412CS..EExtended strand (participates in β ladder)trans-124.9133.9176.5-62.5-88.6000110.8N343 N345 Q346 Q378 R390 L391 A393 W396N343-Y380 HydrophobicContact CB-CE1 4.42Å; N343-Y380 WeakPolarHBondContact ND2-CE1 3.44Å; N345-Y380 CarbonylContact O-C 3.54Å; N345-Y380 WeakPolarHBondContact O-CA 3.49Å; Q346-Y380 HydrophobicContact CB-CD1 4.24Å; Q346-Y380 HydrophobicContact CB-CE1 4.02Å; Q346-Y380 HydrophobicContact CG-CE1 4.12Å; Q378-Y380 HydrophobicContact CB-CE2 4.16Å; Q378-Y380 HydrophobicContact CG-CD2 4.4Å; Q378-Y380 HydrophobicContact CG-CE1 4.35Å; Q378-Y380 HydrophobicContact CG-CE2 3.67Å; Y380-R390 VanDerWaalsContact O-CA 3.26Å; Y380-R390 WeakPolarHBondContact O-CA 3.41Å; Y380-L391 PolarHBondContact N-O 2.8Å; Y380-L391 PolarHBondContact O-N 2.89Å; Y380-A393 HydrophobicContact CE2-CB 4.23Å; Y380-W396 VanDerWaalsContact CB-CD2 3.48Å; Y380-W396 AromaticContact CD1-CD1 3.93Å; Y380-W396 AromaticContact CD1-CD2 3.89Å; Y380-W396 HydrophobicContact CD1-CD2 3.89Å; Y380-W396 AromaticContact CD1-CE2 3.81Å; Y380-W396 AromaticContact CD1-CG 3.99Å; Y380-W396 HydrophobicContact CD1-CG 3.99Å; Y380-W396 HydrophobicContact CD1-CZ2 4.39Å; Y380-W396 AromaticContact CD1-NE1 3.83Å; Y380-W396 HydrophobicContact CD2-CB 3.46Å; Y380-W396 VanDerWaalsContact CD2-CB 3.46Å; Y380-W396 AromaticContact CD2-CD1 3.8Å; Y380-W396 HydrophobicContact CD2-CD2 4.05Å; Y380-W396 AromaticContact CD2-CG 3.46Å; Y380-W396 HydrophobicContact CD2-CG 3.46Å; Y380-W396 VanDerWaalsContact CD2-CG 3.46Å; Y380-W396 AromaticContact CE1-CD1 4Å; Y380-W396 HydrophobicContact CE1-CG 4.45Å; Y380-W396 AromaticContact CE1-NE1 3.96Å; Y380-W396 HydrophobicContact CE2-CB 4.05Å; Y380-W396 AromaticContact CE2-CD1 3.85Å; Y380-W396 AromaticContact CE2-CG 3.97Å; Y380-W396 HydrophobicContact CE2-CG 3.97Å; Y380-W396 HydrophobicContact CG-CB 3.91Å; Y380-W396 AromaticContact CG-CD1 3.83Å; Y380-W396 AromaticContact CG-CD2 3.53Å; Y380-W396 HydrophobicContact CG-CD2 3.53Å; Y380-W396 AromaticContact CG-CE2 3.97Å; Y380-W396 AromaticContact CG-CE3 3.97Å; Y380-W396 HydrophobicContact CG-CE3 3.97Å; Y380-W396 AromaticContact CG-CG 3.46Å; Y380-W396 HydrophobicContact CG-CG 3.46Å; Y380-W396 VanDerWaalsContact CG-CG 3.46Å; Y380-W396 AromaticContact CZ-CD1 3.95Å
381A88.5Confident83Confident43 Ų4372 Ų7236%0.35541%0.412SS..EExtended strand (participates in β ladder)trans-69.6134171.500000109.7N345 I347 W396N345-A381 PolarHBondContact O-N 3.17Å; I347-A381 HydrophobicContact CD1-CB 4.28Å; I347-A381 HydrophobicContact CG1-CB 4.27Å; A381-W396 WeakPolarHBondContact O-CZ3 3.4Å
382W86.3Confident83.2Confident57 Ų5769.4 Ų69.422%0.21639%0.394CS..  trans-136.7136.7-177.1179.584.4000110.1E369 C389 L391 W399 L405E369-W382 HydrophobicContact CG-CZ3 4.31Å; W382-C389 HydrophobicContact CE3-CB 3.7Å; W382-C389 HydrophobicContact CZ3-CB 4.26Å; W382-C389 PolarHBondContact N-O 2.9Å; W382-C389 VanDerWaalsContact O-CB 3.3Å; W382-C389 WeakPolarHBondContact O-CB 3.43Å; W382-C389 VanDerWaalsContact O-O 3.08Å; W382-L391 HydrophobicContact CB-CD1 4Å; W382-L391 HydrophobicContact CB-CG 3.9Å; W382-L391 HydrophobicContact CD2-CD1 4.26Å; W382-L391 HydrophobicContact CD2-CG 4.49Å; W382-L391 HydrophobicContact CG-CD1 3.68Å; W382-L391 HydrophobicContact CG-CG 3.99Å; W382-W399 AromaticContact CD1-CD2 3.79Å; W382-W399 AromaticContact CD1-CE2 3.71Å; W382-W399 AromaticContact CD1-CZ2 3.99Å; W382-W399 AromaticContact NE1-CD1 3.44Å; W382-W399 AromaticContact NE1-CD2 3.6Å; W382-W399 AromaticContact NE1-CE2 3.21Å; W382-W399 AromaticContact NE1-CG 3.73Å; W382-W399 AromaticContact NE1-CZ2 3.74Å; W382-W399 AromaticContact NE1-NE1 3.11Å; W382-W399 VanDerWaalsContact NE1-NE1 3.11Å; W382-L405 HydrophobicContact CH2-CD1 3.92Å; W382-L405 HydrophobicContact CH2-CG 4.46Å; W382-L405 HydrophobicContact CZ2-CD1 4.17Å; W382-L405 HydrophobicContact CZ2-CD2 4.23Å; W382-L405 HydrophobicContact CZ2-CG 4.25Å; W382-L405 HydrophobicContact CZ3-CD1 4.33Å
383G77.8Confident83.3Confident51 Ų5164.6 Ų64.653%0.52638%0.375SS..SBendtrans80.1-172.6-17900000114.8
384P77Confident83.6Confident68 Ų6865.6 Ų65.644%0.44238%0.384SS..  trans-59.5142.5-179.6-28.238.7000113.2N386 M387P384-N386 WeakPolarHBondContact CB-OD1 3.49Å; P384-N386 PolarHBondContact O-N 3.28Å; P384-N386 VanDerWaalsContact O-N 3.07Å; P384-M387 HydrophobicContact CG-SD 4.43Å; P384-M387 PolarHBondContact O-N 2.97Å
385P68Low83.9Confident127 Ų12762 Ų6283%0.82535%0.354SS*.G310 helixtrans-57.9-27.9-176.1-24.632.8000114.6M387P385-M387 VanDerWaalsContact C-N 3.31Å; P385-M387 PolarHBondContact O-N 3.39Å
386N71Confident84.2Confident134 Ų13454.6 Ų54.672%0.71732%0.319SS*.G310 helixtrans-73.4-18.3179.362.3-39.6000113.9P384P384-N386 WeakPolarHBondContact CB-OD1 3.49Å; P384-N386 PolarHBondContact O-N 3.28Å; P384-N386 VanDerWaalsContact O-N 3.07Å
387M70.6Confident84.5Confident105 Ų10557.7 Ų57.752%0.51733%0.333SS..G310 helixtrans-93.8-13.2-179.2-68.5-175.3137.600113.3P384 P385 C389P384-M387 HydrophobicContact CG-SD 4.43Å; P384-M387 PolarHBondContact O-N 2.97Å; P385-M387 VanDerWaalsContact C-N 3.31Å; P385-M387 PolarHBondContact O-N 3.39Å; M387-C389 PolarHBondContact O-N 3.17Å
388Q74.1Confident84.7Confident141 Ų14152.5 Ų52.566%0.65930%0.297SS*.  trans48.726.6178.7-59.4-175.2-1.300114.8
389C83.7Confident84.9Confident25 Ų2551.6 Ų51.617%0.16929%0.292CS..  trans-69.6144.7179.7-55.10000110.3W382 M387W382-C389 HydrophobicContact CE3-CB 3.7Å; W382-C389 HydrophobicContact CZ3-CB 4.26Å; W382-C389 PolarHBondContact N-O 2.9Å; W382-C389 VanDerWaalsContact O-CB 3.3Å; W382-C389 WeakPolarHBondContact O-CB 3.43Å; W382-C389 VanDerWaalsContact O-O 3.08Å; M387-C389 PolarHBondContact O-N 3.17Å
390R87.9Confident85Confident52 Ų5251.1 Ų51.120%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-138.3148-178.567.7-174.2-169.7-179.28.1112.7I347 L366 E369 W379 Y380I347-R390 HydrophobicContact CD1-CB 4.36Å; L366-R390 VanDerWaalsContact CB-CZ 3.4Å; L366-R390 PolarHBondContact O-NE 2.88Å; L366-R390 PolarHBondContact O-NH2 2.83Å; E369-R390 PolarHBondContact N-O 3.14Å; E369-R390 VanDerWaalsContact N-O 3.15Å; W379-R390 HydrophobicContact CE3-CB 4.16Å; W379-R390 HydrophobicContact CE3-CG 3.7Å; W379-R390 HydrophobicContact CZ3-CG 3.84Å; Y380-R390 VanDerWaalsContact O-CA 3.26Å; Y380-R390 WeakPolarHBondContact O-CA 3.41Å
391L90.1Very high85.2Confident0 Ų051.2 Ų51.20%029%0.291CS..EExtended strand (participates in β ladder)trans-116.7141.7175.6-61.6178.2000110E369 Y380 W382 C395 W396 W399 L405E369-L391 HydrophobicContact CB-CD2 3.99Å; Y380-L391 PolarHBondContact N-O 2.8Å; Y380-L391 PolarHBondContact O-N 2.89Å; W382-L391 HydrophobicContact CB-CD1 4Å; W382-L391 HydrophobicContact CB-CG 3.9Å; W382-L391 HydrophobicContact CD2-CD1 4.26Å; W382-L391 HydrophobicContact CD2-CG 4.49Å; W382-L391 HydrophobicContact CG-CD1 3.68Å; W382-L391 HydrophobicContact CG-CG 3.99Å; L391-C395 HydrophobicContact CB-CB 4.25Å; L391-C395 HydrophobicContact CD2-CB 4.25Å; L391-W396 HydrophobicContact CB-CB 4.28Å; L391-W396 HydrophobicContact CD1-CE3 4.27Å; L391-W399 HydrophobicContact CD1-CB 4.02Å; L391-W399 HydrophobicContact CD1-CG 4.31Å; L391-L405 HydrophobicContact CD1-CD2 3.89Å; L391-L405 HydrophobicContact CD2-CD2 3.85Å
392C91.9Very high85.3Confident2 Ų249.6 Ų49.61%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-67.3162.3165.9720000110C368 C371 T373 S376 W379 S394 C395 W396C368-C392 HydrophobicContact CB-CB 4.09Å; C368-C392 PolarHBondContact SG-N 3.47Å; C368-C392 VanDerWaalsContact SG-N 3.37Å; C371-C392 VanDerWaalsContact SG-SG 3.64Å; T373-C392 HydrophobicContact CG2-CB 3.82Å; S376-C392 WeakPolarHBondContact OG-CA 3.45Å; S376-C392 VanDerWaalsContact OG-CB 3.29Å; S376-C392 WeakPolarHBondContact OG-CB 3.44Å; W379-C392 HydrophobicContact CZ3-CB 4.3Å; C392-S394 VanDerWaalsContact C-N 3.31Å; C392-S394 PolarHBondContact O-N 3.32Å; C392-S394 PolarHBondContact SG-OG 3.02Å; C392-S394 VanDerWaalsContact SG-OG 3.33Å; C392-C395 PolarHBondContact O-N 2.82Å; C392-W396 WeakPolarHBondContact O-CB 3.46Å; C392-W396 PolarHBondContact O-N 3.41Å
393A90.3Very high85.4Confident19 Ų1947 Ų4716%0.15727%0.267CS..Hα-helixtrans-52.4-43.3-176.800000114.4S376 P377 Q378 Y380 W396 I397S376-A393 PolarHBondContact OG-N 3.44Å; P377-A393 HydrophobicContact CG-CB 4.27Å; Q378-A393 HydrophobicContact CB-CB 4.37Å; Q378-A393 PolarHBondContact O-N 2.81Å; Q378-A393 VanDerWaalsContact O-N 3.11Å; Y380-A393 HydrophobicContact CE2-CB 4.23Å; A393-W396 PolarHBondContact O-N 3.47Å; A393-I397 WeakPolarHBondContact O-CG1 3.3Å; A393-I397 PolarHBondContact O-N 2.92Å; A393-I397 VanDerWaalsContact O-N 3.1Å
394S91Very high85.9Confident69 Ų6945 Ų4548%0.48325%0.247SC..Hα-helixtrans-69.9-40.4-179.757.80000112.8C392 I397 Y398C392-S394 VanDerWaalsContact C-N 3.31Å; C392-S394 PolarHBondContact O-N 3.32Å; C392-S394 PolarHBondContact SG-OG 3.02Å; C392-S394 VanDerWaalsContact SG-OG 3.33Å; S394-I397 PolarHBondContact O-N 3.4Å; S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 3.29Å
395C91.3Very high86.5Confident2 Ų242.3 Ų42.31%0.01423%0.228CC..Hα-helixtrans-71.1-31.2175.7-72.50000112.4S370 C371 L391 C392 W399S370-C395 VanDerWaalsContact CB-SG 3.57Å; S370-C395 PolarHBondContact OG-SG 2.92Å; C371-C395 VanDerWaalsContact SG-SG 3.61Å; L391-C395 HydrophobicContact CB-CB 4.25Å; L391-C395 HydrophobicContact CD2-CB 4.25Å; C392-C395 PolarHBondContact O-N 2.82Å; C395-W399 VanDerWaalsContact O-CB 3.32Å; C395-W399 WeakPolarHBondContact O-CB 3.37Å; C395-W399 PolarHBondContact O-N 3.02Å
396W91.1Very high87.2Confident13 Ų1339.8 Ų39.85%0.04921%0.205CC..Hα-helixtrans-63.3-48.7172176.4-99.9000111.5N343 N345 Y380 A381 L391 C392 A393 Y398 W399 K400N343-W396 PolarHBondContact ND2-NE1 3.1Å; N345-W396 HydrophobicContact CB-CH2 3.62Å; N345-W396 HydrophobicContact CB-CZ2 4.02Å; N345-W396 HydrophobicContact CB-CZ3 4.29Å; N345-W396 WeakPolarHBondContact ND2-CH2 3.45Å; Y380-W396 VanDerWaalsContact CB-CD2 3.48Å; Y380-W396 AromaticContact CD1-CD1 3.93Å; Y380-W396 AromaticContact CD1-CD2 3.89Å; Y380-W396 HydrophobicContact CD1-CD2 3.89Å; Y380-W396 AromaticContact CD1-CE2 3.81Å; Y380-W396 AromaticContact CD1-CG 3.99Å; Y380-W396 HydrophobicContact CD1-CG 3.99Å; Y380-W396 HydrophobicContact CD1-CZ2 4.39Å; Y380-W396 AromaticContact CD1-NE1 3.83Å; Y380-W396 HydrophobicContact CD2-CB 3.46Å; Y380-W396 VanDerWaalsContact CD2-CB 3.46Å; Y380-W396 AromaticContact CD2-CD1 3.8Å; Y380-W396 HydrophobicContact CD2-CD2 4.05Å; Y380-W396 AromaticContact CD2-CG 3.46Å; Y380-W396 HydrophobicContact CD2-CG 3.46Å; Y380-W396 VanDerWaalsContact CD2-CG 3.46Å; Y380-W396 AromaticContact CE1-CD1 4Å; Y380-W396 HydrophobicContact CE1-CG 4.45Å; Y380-W396 AromaticContact CE1-NE1 3.96Å; Y380-W396 HydrophobicContact CE2-CB 4.05Å; Y380-W396 AromaticContact CE2-CD1 3.85Å; Y380-W396 AromaticContact CE2-CG 3.97Å; Y380-W396 HydrophobicContact CE2-CG 3.97Å; Y380-W396 HydrophobicContact CG-CB 3.91Å; Y380-W396 AromaticContact CG-CD1 3.83Å; Y380-W396 AromaticContact CG-CD2 3.53Å; Y380-W396 HydrophobicContact CG-CD2 3.53Å; Y380-W396 AromaticContact CG-CE2 3.97Å; Y380-W396 AromaticContact CG-CE3 3.97Å; Y380-W396 HydrophobicContact CG-CE3 3.97Å; Y380-W396 AromaticContact CG-CG 3.46Å; Y380-W396 HydrophobicContact CG-CG 3.46Å; Y380-W396 VanDerWaalsContact CG-CG 3.46Å; Y380-W396 AromaticContact CZ-CD1 3.95Å; A381-W396 WeakPolarHBondContact O-CZ3 3.4Å; L391-W396 HydrophobicContact CB-CB 4.28Å; L391-W396 HydrophobicContact CD1-CE3 4.27Å; C392-W396 WeakPolarHBondContact O-CB 3.46Å; C392-W396 PolarHBondContact O-N 3.41Å; A393-W396 PolarHBondContact O-N 3.47Å; W396-Y398 VanDerWaalsContact C-N 3.33Å; W396-Y398 PolarHBondContact O-N 2.95Å; W396-W399 HydrophobicContact CD2-CE3 4.45Å; W396-W399 HydrophobicContact CE3-CE3 4.05Å; W396-W399 HydrophobicContact CE3-CZ3 4.24Å; W396-W399 HydrophobicContact CH2-CE3 4.19Å; W396-W399 HydrophobicContact CH2-CH2 4.4Å; W396-W399 AromaticContact CH2-CZ3 3.56Å; W396-W399 HydrophobicContact CH2-CZ3 3.56Å; W396-W399 HydrophobicContact CZ2-CZ3 4.07Å; W396-W399 AromaticContact CZ3-CE3 3.92Å; W396-W399 HydrophobicContact CZ3-CE3 3.92Å; W396-W399 AromaticContact CZ3-CZ3 3.67Å; W396-W399 HydrophobicContact CZ3-CZ3 3.67Å; W396-W399 PolarHBondContact O-N 3.11Å; W396-K400 HydrophobicContact CZ2-CD 4.09Å; W396-K400 HydrophobicContact CZ2-CG 4.3Å; W396-K400 WeakPolarHBondContact O-CG 3.5Å; W396-K400 PolarHBondContact O-N 3.27Å
397I90.6Very high87.6Confident92 Ų9235.1 Ų35.147%0.47218%0.181SC..Hα-helixtrans-61.5-44.1176.9-67165.7000110.4A393 S394 K400 K401A393-I397 WeakPolarHBondContact O-CG1 3.3Å; A393-I397 PolarHBondContact O-N 2.92Å; A393-I397 VanDerWaalsContact O-N 3.1Å; S394-I397 PolarHBondContact O-N 3.4Å; I397-K400 PolarHBondContact O-N 2.99Å; I397-K401 HydrophobicContact CG2-CD 3.97Å; I397-K401 WeakPolarHBondContact O-CG 3.28Å; I397-K401 PolarHBondContact O-N 2.61Å
398Y91.6Very high87.7Confident15 Ų1533.9 Ų33.96%0.05918%0.181CC..Hα-helixtrans-58.3-50.3175.7-176.9-88.5000111.4S394 W396 K400 K401 Y402 G404 K406S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 3.29Å; W396-Y398 VanDerWaalsContact C-N 3.33Å; W396-Y398 PolarHBondContact O-N 2.95Å; Y398-K400 VanDerWaalsContact C-N 3.3Å; Y398-K400 PolarHBondContact O-N 3.12Å; Y398-K401 PolarHBondContact O-N 3.46Å; Y398-K401 VanDerWaalsContact O-N 3.16Å; Y398-Y402 HydrophobicContact CD1-CD2 4.28Å; Y398-Y402 AromaticContact CD2-CD2 3.35Å; Y398-Y402 HydrophobicContact CD2-CD2 3.35Å; Y398-Y402 AromaticContact CD2-CE2 3.64Å; Y398-Y402 HydrophobicContact CD2-CE2 3.64Å; Y398-Y402 HydrophobicContact CD2-CG 4.34Å; Y398-Y402 HydrophobicContact CE1-CD2 4.31Å; Y398-Y402 AromaticContact CE2-CD2 3.41Å; Y398-Y402 HydrophobicContact CE2-CD2 3.41Å; Y398-Y402 VanDerWaalsContact CE2-CD2 3.41Å; Y398-Y402 AromaticContact CE2-CE2 3.75Å; Y398-Y402 HydrophobicContact CE2-CE2 3.75Å; Y398-Y402 HydrophobicContact CE2-CG 4.02Å; Y398-Y402 AromaticContact CG-CD2 3.82Å; Y398-Y402 HydrophobicContact CG-CD2 3.82Å; Y398-Y402 HydrophobicContact CG-CE2 4.45Å; Y398-Y402 AromaticContact CZ-CD2 3.9Å; Y398-Y402 WeakPolarHBondContact O-CB 3.42Å; Y398-Y402 VanDerWaalsContact O-CD2 3.31Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.45Å; Y398-Y402 PolarHBondContact O-N 3.15Å; Y398-G404 VanDerWaalsContact CD1-O 3.27Å; Y398-G404 WeakPolarHBondContact CD1-O 3.15Å; Y398-G404 VanDerWaalsContact CE1-O 3.3Å; Y398-G404 WeakPolarHBondContact CE1-O 3.29Å; Y398-K406 HydrophobicContact CD1-CG 3.57Å; Y398-K406 HydrophobicContact CD2-CD 4.23Å; Y398-K406 HydrophobicContact CD2-CG 3.84Å; Y398-K406 HydrophobicContact CE1-CB 4.39Å; Y398-K406 HydrophobicContact CE1-CG 3.62Å; Y398-K406 HydrophobicContact CE2-CG 3.87Å; Y398-K406 HydrophobicContact CG-CD 4.29Å; Y398-K406 HydrophobicContact CG-CG 3.69Å
399W91.8Very high87.2Confident19 Ų1928.2 Ų28.27%0.07216%0.156CC..Hα-helixtrans-60.8-38.5177.6173.279.5000112.2S19 P21 W382 L391 C395 W396 G403 L405S19-W399 WeakPolarHBondContact O-CH2 3.45Å; P21-W399 HydrophobicContact CG-CD2 4.4Å; P21-W399 HydrophobicContact CG-CH2 4.32Å; P21-W399 HydrophobicContact CG-CZ2 3.76Å; W382-W399 AromaticContact CD1-CD2 3.79Å; W382-W399 AromaticContact CD1-CE2 3.71Å; W382-W399 AromaticContact CD1-CZ2 3.99Å; W382-W399 AromaticContact NE1-CD1 3.44Å; W382-W399 AromaticContact NE1-CD2 3.6Å; W382-W399 AromaticContact NE1-CE2 3.21Å; W382-W399 AromaticContact NE1-CG 3.73Å; W382-W399 AromaticContact NE1-CZ2 3.74Å; W382-W399 AromaticContact NE1-NE1 3.11Å; W382-W399 VanDerWaalsContact NE1-NE1 3.11Å; L391-W399 HydrophobicContact CD1-CB 4.02Å; L391-W399 HydrophobicContact CD1-CG 4.31Å; C395-W399 VanDerWaalsContact O-CB 3.32Å; C395-W399 WeakPolarHBondContact O-CB 3.37Å; C395-W399 PolarHBondContact O-N 3.02Å; W396-W399 HydrophobicContact CD2-CE3 4.45Å; W396-W399 HydrophobicContact CE3-CE3 4.05Å; W396-W399 HydrophobicContact CE3-CZ3 4.24Å; W396-W399 HydrophobicContact CH2-CE3 4.19Å; W396-W399 HydrophobicContact CH2-CH2 4.4Å; W396-W399 AromaticContact CH2-CZ3 3.56Å; W396-W399 HydrophobicContact CH2-CZ3 3.56Å; W396-W399 HydrophobicContact CZ2-CZ3 4.07Å; W396-W399 AromaticContact CZ3-CE3 3.92Å; W396-W399 HydrophobicContact CZ3-CE3 3.92Å; W396-W399 AromaticContact CZ3-CZ3 3.67Å; W396-W399 HydrophobicContact CZ3-CZ3 3.67Å; W396-W399 PolarHBondContact O-N 3.11Å; W399-G403 WeakPolarHBondContact O-CA 3.49Å; W399-G403 PolarHBondContact O-N 3.12Å; W399-L405 HydrophobicContact CB-CD2 4.28Å; W399-L405 HydrophobicContact CG-CD2 4.46Å
400K92Very high85.7Confident4 Ų436.2 Ų36.22%0.01719%0.191CC..Hα-helixtrans-62.3-43.7174.7-75.3-70.5-66.8-167.80111.8E15 S18 N20 P21 Y22 W396 I397 Y398E15-K400 IonicContact OE1-NZ 2.63Å; E15-K400 PolarHBondContact OE1-NZ 2.99Å; S18-K400 PolarHBondContact O-NZ 2.68Å; S18-K400 VanDerWaalsContact O-NZ 3.11Å; N20-K400 WeakPolarHBondContact O-CE 3.5Å; N20-K400 PolarHBondContact O-NZ 3.45Å; P21-K400 CarbonylContact C-O 3.48Å; P21-K400 WeakPolarHBondContact CA-O 2.99Å; Y22-K400 WeakPolarHBondContact CB-O 3.47Å; Y22-K400 HydrophobicContact CD2-CB 4.1Å; Y22-K400 WeakPolarHBondContact CD2-O 3.42Å; Y22-K400 HydrophobicContact CE2-CB 3.82Å; Y22-K400 PolarHBondContact N-O 3.4Å; W396-K400 HydrophobicContact CZ2-CD 4.09Å; W396-K400 HydrophobicContact CZ2-CG 4.3Å; W396-K400 WeakPolarHBondContact O-CG 3.5Å; W396-K400 PolarHBondContact O-N 3.27Å; I397-K400 PolarHBondContact O-N 2.99Å; Y398-K400 VanDerWaalsContact C-N 3.3Å; Y398-K400 PolarHBondContact O-N 3.12Å
401K92.4Very high83.8Confident37 Ų3740.3 Ų40.316%0.16122%0.216CC..Hα-helixtrans-77.6-39.1-176.9-73.2176.3162.8-163.30113.8Y13 Y22 R47 D125 I397 Y398Y13-K401 HydrophobicContact CE1-CB 4.37Å; Y13-K401 HydrophobicContact CE2-CD 4.25Å; Y13-K401 HydrophobicContact CE2-CG 3.94Å; Y22-K401 HydrophobicContact CD2-CG 4.28Å; Y22-K401 HydrophobicContact CE2-CG 4.44Å; R47-K401 PolarHBondContact NH2-O 3.07Å; D125-K401 WeakPolarHBondContact OD1-CD 3.43Å; D125-K401 WeakPolarHBondContact OD1-CE 3.49Å; D125-K401 IonicContact OD1-NZ 3.85Å; D125-K401 PolarHBondContact OD1-NZ 2.88Å; D125-K401 IonicContact OD2-NZ 2.81Å; D125-K401 PolarHBondContact OD2-NZ 3.07Å; I397-K401 HydrophobicContact CG2-CD 3.97Å; I397-K401 WeakPolarHBondContact O-CG 3.28Å; I397-K401 PolarHBondContact O-N 2.61Å; Y398-K401 PolarHBondContact O-N 3.46Å; Y398-K401 VanDerWaalsContact O-N 3.16Å
402Y91.3Very high81.4Confident10 Ų1046.5 Ų46.54%0.03925%0.245CC..Hα-helixtrans-109.7-16.5-169.8-61.9-75.8000113.7R47 R86 D125 F127 Y398 G404R47-Y402 PolarHBondContact NE-O 3.35Å; R86-Y402 HydrophobicContact CG-CD1 4.14Å; R86-Y402 HydrophobicContact CG-CE1 3.98Å; D125-Y402 PolarHBondContact N-OH 3.24Å; F127-Y402 AromaticContact CE1-CD1 3.57Å; F127-Y402 HydrophobicContact CE1-CD1 3.57Å; F127-Y402 AromaticContact CE1-CE1 3.83Å; F127-Y402 HydrophobicContact CE1-CE1 3.83Å; F127-Y402 HydrophobicContact CE2-CE1 4.33Å; F127-Y402 AromaticContact CZ-CD1 3.64Å; F127-Y402 HydrophobicContact CZ-CD1 3.64Å; F127-Y402 AromaticContact CZ-CE1 3.58Å; F127-Y402 HydrophobicContact CZ-CE1 3.58Å; Y398-Y402 HydrophobicContact CD1-CD2 4.28Å; Y398-Y402 AromaticContact CD2-CD2 3.35Å; Y398-Y402 HydrophobicContact CD2-CD2 3.35Å; Y398-Y402 AromaticContact CD2-CE2 3.64Å; Y398-Y402 HydrophobicContact CD2-CE2 3.64Å; Y398-Y402 HydrophobicContact CD2-CG 4.34Å; Y398-Y402 HydrophobicContact CE1-CD2 4.31Å; Y398-Y402 AromaticContact CE2-CD2 3.41Å; Y398-Y402 HydrophobicContact CE2-CD2 3.41Å; Y398-Y402 VanDerWaalsContact CE2-CD2 3.41Å; Y398-Y402 AromaticContact CE2-CE2 3.75Å; Y398-Y402 HydrophobicContact CE2-CE2 3.75Å; Y398-Y402 HydrophobicContact CE2-CG 4.02Å; Y398-Y402 AromaticContact CG-CD2 3.82Å; Y398-Y402 HydrophobicContact CG-CD2 3.82Å; Y398-Y402 HydrophobicContact CG-CE2 4.45Å; Y398-Y402 AromaticContact CZ-CD2 3.9Å; Y398-Y402 WeakPolarHBondContact O-CB 3.42Å; Y398-Y402 VanDerWaalsContact O-CD2 3.31Å; Y398-Y402 WeakPolarHBondContact O-CD2 3.45Å; Y398-Y402 PolarHBondContact O-N 3.15Å; Y402-G404 VanDerWaalsContact C-N 3.27Å; Y402-G404 PolarHBondContact O-N 2.91Å
403G88.5Confident78.7Confident2 Ų248.9 Ų48.92%0.02127%0.269CS..SBendtrans76.97.1176.100000115.6R49 W399R49-G403 VanDerWaalsContact CZ-O 3.26Å; R49-G403 PolarHBondContact NH2-O 3.11Å; R49-G403 VanDerWaalsContact NH2-O 3.11Å; W399-G403 WeakPolarHBondContact O-CA 3.49Å; W399-G403 PolarHBondContact O-N 3.12Å
404G88.7Confident75.9Confident10 Ų1052.4 Ų52.410%0.10330%0.299CS..SBendtrans-140.7171.3177.400000112Y398 Y402Y398-G404 VanDerWaalsContact CD1-O 3.27Å; Y398-G404 WeakPolarHBondContact CD1-O 3.15Å; Y398-G404 VanDerWaalsContact CE1-O 3.3Å; Y398-G404 WeakPolarHBondContact CE1-O 3.29Å; Y402-G404 VanDerWaalsContact C-N 3.27Å; Y402-G404 PolarHBondContact O-N 2.91Å
405L88.4Confident73.1Confident10 Ų1053.7 Ų53.75%0.05231%0.313CS..  trans-90.7153.8174.5-59.1-172000110.7H81 E369 W382 L391 W399 T407H81-L405 PolarHBondContact NE2-O 3.42Å; H81-L405 VanDerWaalsContact NE2-O 3.11Å; E369-L405 HydrophobicContact CB-CD1 4.38Å; E369-L405 HydrophobicContact CG-CD1 4.19Å; W382-L405 HydrophobicContact CH2-CD1 3.92Å; W382-L405 HydrophobicContact CH2-CG 4.46Å; W382-L405 HydrophobicContact CZ2-CD1 4.17Å; W382-L405 HydrophobicContact CZ2-CD2 4.23Å; W382-L405 HydrophobicContact CZ2-CG 4.25Å; W382-L405 HydrophobicContact CZ3-CD1 4.33Å; L391-L405 HydrophobicContact CD1-CD2 3.89Å; L391-L405 HydrophobicContact CD2-CD2 3.85Å; W399-L405 HydrophobicContact CB-CD2 4.28Å; W399-L405 HydrophobicContact CG-CD2 4.46Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 WeakPolarHBondContact CB-O 3.22Å; L405-T407 PolarHBondContact O-N 3Å
406K83.2Confident70.4Confident75 Ų7564.5 Ų64.533%0.32635%0.354SS..SBendtrans-66.3-31.5-177-69.4-172.5174.7-171.50112.9Q82 S370 Y398Q82-K406 PolarHBondContact NE2-O 2.7Å; S370-K406 PolarHBondContact OG-N 3.38Å; Y398-K406 HydrophobicContact CD1-CG 3.57Å; Y398-K406 HydrophobicContact CD2-CD 4.23Å; Y398-K406 HydrophobicContact CD2-CG 3.84Å; Y398-K406 HydrophobicContact CE1-CB 4.39Å; Y398-K406 HydrophobicContact CE1-CG 3.62Å; Y398-K406 HydrophobicContact CE2-CG 3.87Å; Y398-K406 HydrophobicContact CG-CD 4.29Å; Y398-K406 HydrophobicContact CG-CG 3.69Å
407T79.2Confident67.3Low35 Ų3568.8 Ų68.822%0.21539%0.392CS..SBendtrans-114.2147.6172.952.90000109.2S370 L405S370-T407 PolarHBondContact O-OG1 3.41Å; L405-T407 VanDerWaalsContact C-N 3.28Å; L405-T407 WeakPolarHBondContact CB-O 3.22Å; L405-T407 PolarHBondContact O-N 3Å
408P71.9Confident64.3Low80 Ų8067.8 Ų67.852%0.51941%0.405SS..  trans-60.7139171.4-19.631.9000110.5
409T64.8Low61.4Low22 Ų2272.1 Ų72.114%0.13544%0.437CS..  trans-87.1149175.2-27.20000108.8E369 L411 E412E369-T409 HydrophobicContact CG-CG2 3.92Å; E369-T409 VanDerWaalsContact OE1-CG2 3.22Å; E369-T409 WeakPolarHBondContact OE1-CG2 3.44Å; T409-L411 PolarHBondContact O-N 3.18Å; T409-E412 PolarHBondContact O-N 2.89Å
410Q51Low58.3Low192 Ų19279.2 Ų79.290%0.89747%0.471SS*.THydrogen-bonded Turntrans-56.5-22.6178-69.2-17114.700113.5E412Q410-E412 VanDerWaalsContact C-N 3.34Å; Q410-E412 PolarHBondContact O-N 3.41Å
411L48.3Very low55.3Low138 Ų13884.7 Ų84.772%0.72351%0.51SS*.THydrogen-bonded Turntrans-71.5-19.6174.7-79.8154000114.6T409T409-L411 PolarHBondContact O-N 3.18Å
412E40.9Very low52.1Low131 Ų13186.7 Ų86.761%0.61254%0.54SS*.THydrogen-bonded Turntrans-91.1-19-177.6-151.4167.1-16400112.1T409 Q410T409-E412 PolarHBondContact O-N 2.89Å; Q410-E412 VanDerWaalsContact C-N 3.34Å; Q410-E412 PolarHBondContact O-N 3.41Å
413G33.8Very low49Very low51 Ų5192.2 Ų92.253%0.52658%0.581SS.*SBendtrans-92.6-10.7-175.600000116.6A415 R416G413-A415 PolarHBondContact O-N 2.91Å; G413-R416 PolarHBondContact O-N 3.46Å
414A31.4Very low46Very low94 Ų94103.8 Ų103.878%0.77762%0.624SS**THydrogen-bonded Turntrans-70.5-0.9-173.400000115.3
415A32Very low43.1Very low96 Ų96109.3 Ų109.379%0.79366%0.661SS**THydrogen-bonded Turntrans-90.7-2.5177.700000114.3G413G413-A415 PolarHBondContact O-N 2.91Å
416R34.9Very low40.1Very low229 Ų229116.9 Ų116.986%0.86470%0.696SS**SBendtrans-14667.6-176.7-69-169.1175.4168.4-0.3113.9G413G413-R416 PolarHBondContact O-N 3.46Å
417A27.4Very low37.4Very low102 Ų102120.8 Ų120.884%0.84372%0.717SS**  trans-149.2105.7156.800000109.4
418G27.6Very low35Very low72 Ų72124.8 Ų124.874%0.74274%0.741SS**  trans-115.7137.3165.400000108.6
419S30.1Very low33Very low106 Ų106132.2 Ų132.274%0.74176%0.759SS**  trans71.1129179.9-144.50000113.5
420E27.1Very low31.2Very low168 Ų168140 Ų14079%0.78579%0.794SS**  cis-170.515336.1-145.3161.5-126.800110.7
421S28.3Very low30Very low119 Ų119140.2 Ų140.283%0.83280%0.795SS**  trans44.2132160.372.40000120.9
422G24.7Very low29.3Very low78 Ų78140.5 Ų140.580%0.80480%0.802SS**  cis154.3131.85.900000108.1
423S26.1Very low28.8Very low126 Ų126143.6 Ų143.688%0.88182%0.816SS**  trans-167128147.1-173.70000110
424R26.8Very low28.4Very low246 Ų246144.6 Ų144.693%0.92883%0.826SS**  trans-84.4137.9-177.9-80.6171.6160.2165.9-6.1110.5
425S26.4Very low28.2Very low125 Ų125148.6 Ų148.687%0.87483%0.831SS**  trans-141128.5145.847.90000110
426H27.2Very low28.1Very low170 Ų170148.8 Ų148.879%0.78783%0.827SS**  trans-74.5145.1-173.2-136.5-93.2000111.1
427M26Very low28.1Very low157 Ų157143.1 Ų143.177%0.77382%0.819SS**  169.4121.9124.8-81.8-96.986.600113
428T27.9Very low28.1Very low119 Ų119147.2 Ų147.273%0.7382%0.819SS**  trans67.7125.7138.7-22.60000122.7
429R29.4Very low28.1Very low236 Ų236150 Ų15089%0.89182%0.821SS**  trans-89.1106.7178.9173.3-168.5-171.3-143.23.7110.1
430Q27.7Very low28.2Very low185 Ų185156 Ų15686%0.86483%0.828SS**  trans-174.8110.1147.2-117.3170.4-13.400109.4
431E26.2Very low28.3Very low197 Ų197156 Ų15692%0.92183%0.833SS**  trans15887.5146.5-88.3177.3-179.700108.6
432V34.4Very low28.5Very low144 Ų144159.6 Ų159.687%0.87384%0.837SS**  trans-86.3101.5164.2173.90000106
433Q28.8Very low29.1Very low196 Ų196159.1 Ų159.192%0.91683%0.832SS**  trans177.3106148.9-100.5163.815.800110.1
434G25.1Very low29.5Very low71 Ų71162.3 Ų162.373%0.73283%0.825SS**  trans143.4128.3162.800000115.5
435M27.7Very low29.6Very low179 Ų179155.4 Ų155.488%0.88282%0.82SS**  trans8988.6154.9-49.7-11680.400118
436S30.1Very low30.1Very low100 Ų100159.2 Ų159.270%0.69982%0.821SS**  trans-110.6125142.6116.40000107.4
437P34.1Very low30.6Very low109 Ų109159.1 Ų159.171%0.70883%0.826SS**  trans-109.786.3165.831.3-18.1000110.3
438F28Very low31.3Very low188 Ų188160.1 Ų160.183%0.82583%0.833SS**  trans-8497.7149.2-86.3-78.8000108
439T28.4Very low31.7Very low131 Ų131159 Ų15980%0.80484%0.836SS**  trans-125.390.6159.153.70000107.9
440R32.8Very low32.4Very low232 Ų232157.5 Ų157.588%0.87584%0.836SS**  trans-71.7126.2167.5-73.7177.1100.6175.16.5107.9E442R440-E442 PolarHBondContact O-N 3.39Å; R440-E442 VanDerWaalsContact O-N 3.12Å
441N28.4Very low33.1Very low169 Ų169156 Ų15690%0.90483%0.834SS**  trans-7297.7179.6-147.117000109.5G443N441-G443 PolarHBondContact O-N 3.17Å
442E32.5Very low34.3Very low193 Ų193158.3 Ų158.390%0.90283%0.834SS**  trans-75108.9164.3-73.2-170.8149.400108.8R440R440-E442 PolarHBondContact O-N 3.39Å; R440-E442 VanDerWaalsContact O-N 3.12Å
443G36.3Very low35.9Very low68 Ų68160.3 Ų160.370%0.70183%0.834SS**  trans178.439.1-179.900000117.9N441N441-G443 PolarHBondContact O-N 3.17Å
444R34.6Very low38Very low193 Ų193157.9 Ų157.973%0.72883%0.833SS**  trans-171.989.9158-120.6175172.5172.2-0.7112.9N20N20-R444 PolarHBondContact ND2-NH1 3.07Å
445A30.7Very low40.9Very low101 Ų101162.6 Ų162.684%0.83583%0.833SS**  trans178.479.8149.800000109.6
446K36.7Very low43.6Very low206 Ų206161.9 Ų161.990%0.89683%0.832SS**  trans-121.9109150-73.8178.4-179.9171.90102.5
447L36.8Very low46.3Very low168 Ų168163.3 Ų163.388%0.8883%0.831SS**SBend-152.2146.483.5-74.2147.8000110.1
448L40.2Very low49Very low177 Ų177166.4 Ų166.493%0.92784%0.836SS**SBendtrans8451.9172.2-53.8170.5000119
449A37.6Very low51.8Low97 Ų97159.6 Ų159.680%0.80281%0.81SS**  trans-163.974.214800000111N451A449-N451 PolarHBondContact O-N 3.44Å
450K42.4Very low54.7Low203 Ų203157.1 Ų157.188%0.88380%0.795SS**  trans-68.8129.1165.8-87-178.2175.5177.50108.8
451N43.1Very low57.2Low153 Ų153153.8 Ų153.882%0.81879%0.786SS**SBendtrans88.953165.4-55.6-47.9000119.2A449A449-N451 PolarHBondContact O-N 3.44Å
452R51.3Low59.9Low247 Ų247150.5 Ų150.593%0.93277%0.768SS**  trans-132.794.7147.5-67.6-168-179-150.82.8110.3
453Q68.1Low62.5Low185 Ų185144.5 Ų144.586%0.86475%0.745SS**  trans-71.9125.4165.2-82.1175-22.900108.5
454T73.8Confident64.9Low146 Ų146147.2 Ų147.290%0.89673%0.734SS**  trans-76.6124.9170.751.20000109
455F84.7Confident67.3Low169 Ų169141.9 Ų141.974%0.74172%0.719SS**  trans-135.5153.1174.569.5-84.3000110.5L457F455-L457 HydrophobicContact CD2-CB 4.1Å; F455-L457 HydrophobicContact CE2-CB 3.89Å
456I85.8Confident69.9Low165 Ų165137.7 Ų137.785%0.84668%0.684SS**  trans-105.5134168.4-170.2167.9000108.3
457L87.3Confident72.3Confident129 Ų129133.1 Ų133.168%0.67566%0.662SS**  trans-122.3105.4178.5-179.169.4000110.4F455 T459F455-L457 HydrophobicContact CD2-CB 4.1Å; F455-L457 HydrophobicContact CE2-CB 3.89Å; L457-T459 HydrophobicContact CD2-CG2 4.29Å; L457-T459 HydrophobicContact CG-CG2 4.2Å
458Q88.8Confident74.6Confident174 Ų174133.5 Ų133.581%0.81365%0.651SS**  trans-104.8106.7169.1-172.8175.2-7.200109.4T460Q458-T460 PolarHBondContact O-N 3.06Å
459T86.9Confident76.7Confident46 Ų46125.9 Ų125.928%0.28261%0.612SS.*  trans-73.2129.3-177.265.20000112.1L457 R464 R467L457-T459 HydrophobicContact CD2-CG2 4.29Å; L457-T459 HydrophobicContact CG-CG2 4.2Å; T459-R464 PolarHBondContact O-NE 3.11Å; T459-R464 PolarHBondContact O-NH2 3.23Å; T459-R467 PolarHBondContact OG1-NH2 3.44Å
460T89.9Confident79.1Confident79 Ų79121.2 Ų121.249%0.48557%0.574SS.*  trans-65.8159.2176.770.20000111.2Q458 L462 T463 R464Q458-T460 PolarHBondContact O-N 3.06Å; T460-L462 VanDerWaalsContact C-N 3.29Å; T460-L462 PolarHBondContact O-N 2.72Å; T460-T463 PolarHBondContact O-N 2.95Å; T460-T463 PolarHBondContact OG1-N 3.21Å; T460-T463 VanDerWaalsContact OG1-N 3.17Å; T460-T463 PolarHBondContact OG1-OG1 3.07Å; T460-R464 PolarHBondContact O-N 2.95Å; T460-R464 VanDerWaalsContact O-N 3.14Å; T460-R464 PolarHBondContact O-NE 3.13Å
461K85.3Confident81Confident162 Ų162117 Ų11770%0.70456%0.557SS**Hα-helixtrans-61.1-39.5175.7-67.2-178.2-179177.60111.3T463 R464 I465K461-T463 PolarHBondContact O-N 3Å; K461-R464 WeakPolarHBondContact O-CB 3.3Å; K461-R464 PolarHBondContact O-N 3.4Å; K461-R464 VanDerWaalsContact O-N 3.12Å; K461-I465 WeakPolarHBondContact O-CG1 3.44Å; K461-I465 PolarHBondContact O-N 2.99Å
462L86.1Confident83Confident99 Ų99113.8 Ų113.852%0.51854%0.54SS..Hα-helixtrans-60.5-45.8176.2-176.862.8000111.8T460 R464 I465 A466 L500T460-L462 VanDerWaalsContact C-N 3.29Å; T460-L462 PolarHBondContact O-N 2.72Å; L462-R464 PolarHBondContact O-N 3.33Å; L462-I465 PolarHBondContact O-N 2.91Å; L462-I465 VanDerWaalsContact O-N 3.15Å; L462-A466 WeakPolarHBondContact O-CB 3.46Å; L462-A466 PolarHBondContact O-N 3.39Å; L462-L500 HydrophobicContact CD1-CD2 3.87Å
463T86.3Confident84.6Confident68 Ų68105.3 Ų105.342%0.41751%0.512SS..Hα-helixtrans-65.2-26.9176-55.70000112.7T460 K461 R467T460-T463 PolarHBondContact O-N 2.95Å; T460-T463 PolarHBondContact OG1-N 3.21Å; T460-T463 VanDerWaalsContact OG1-N 3.17Å; T460-T463 PolarHBondContact OG1-OG1 3.07Å; K461-T463 PolarHBondContact O-N 3Å; T463-R467 WeakPolarHBondContact O-CG 3.45Å; T463-R467 PolarHBondContact O-NE 3.47Å; T463-R467 VanDerWaalsContact O-NE 3.1Å
464R86.2Confident85.4Confident125 Ų12597.7 Ų97.747%0.47248%0.477SS..Hα-helixtrans-72.1-40.6172-73.8178-107.2176.2-8.8112T459 T460 K461 L462T459-R464 PolarHBondContact O-NE 3.11Å; T459-R464 PolarHBondContact O-NH2 3.23Å; T460-R464 PolarHBondContact O-N 2.95Å; T460-R464 VanDerWaalsContact O-N 3.14Å; T460-R464 PolarHBondContact O-NE 3.13Å; K461-R464 WeakPolarHBondContact O-CB 3.3Å; K461-R464 PolarHBondContact O-N 3.4Å; K461-R464 VanDerWaalsContact O-N 3.12Å; L462-R464 PolarHBondContact O-N 3.33Å
465I84.7Confident86Confident80 Ų8094.9 Ų94.941%0.4145%0.454SS..Hα-helixtrans-70.5-43.5178.2-65.3166.7000111K461 L462 R467 R468 V469 L500K461-I465 WeakPolarHBondContact O-CG1 3.44Å; K461-I465 PolarHBondContact O-N 2.99Å; L462-I465 PolarHBondContact O-N 2.91Å; L462-I465 VanDerWaalsContact O-N 3.15Å; I465-R467 PolarHBondContact O-N 3.3Å; I465-R468 WeakPolarHBondContact O-CA 3.5Å; I465-R468 WeakPolarHBondContact O-CB 3.43Å; I465-R468 PolarHBondContact O-N 3.04Å; I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CG2 3.42Å; I465-V469 PolarHBondContact O-N 3.42Å; I465-L500 HydrophobicContact CG2-CD1 3.8Å
466A86.8Confident86Confident13 Ų1389.2 Ų89.211%0.10743%0.434CS..Hα-helixtrans-54.8-38178.800000112.8L462 R468 V469 C470 C496L462-A466 WeakPolarHBondContact O-CB 3.46Å; L462-A466 PolarHBondContact O-N 3.39Å; A466-R468 PolarHBondContact O-N 3.12Å; A466-V469 PolarHBondContact O-N 3.47Å; A466-C470 WeakPolarHBondContact O-CB 3.31Å; A466-C470 PolarHBondContact O-N 3.01Å; A466-C496 HydrophobicContact CB-CB 4.1Å; A466-C496 VanDerWaalsContact CB-SG 3.53Å
467R86.9Confident85.9Confident111 Ų11190.6 Ų90.642%0.41943%0.429SS..Hα-helixtrans-66-22.6176.6-69.6-175.2-88.4174.2-7114T459 T463 I465 L474T459-R467 PolarHBondContact OG1-NH2 3.44Å; T463-R467 WeakPolarHBondContact O-CG 3.45Å; T463-R467 PolarHBondContact O-NE 3.47Å; T463-R467 VanDerWaalsContact O-NE 3.1Å; I465-R467 PolarHBondContact O-N 3.3Å; R467-L474 HydrophobicContact CB-CD2 3.67Å; R467-L474 HydrophobicContact CG-CD2 3.49Å; R467-L474 VanDerWaalsContact CG-CD2 3.49Å
468R83.9Confident85.8Confident176 Ų17691 Ų9166%0.66442%0.421SS*.Hα-helixtrans-91.7-40.3175.9-64.7-176.5178177.7-2112I465 A466 C470I465-R468 WeakPolarHBondContact O-CA 3.5Å; I465-R468 WeakPolarHBondContact O-CB 3.43Å; I465-R468 PolarHBondContact O-N 3.04Å; A466-R468 PolarHBondContact O-N 3.12Å; R468-C470 VanDerWaalsContact C-N 3.34Å
469V84.8Confident85.7Confident16 Ų1684.1 Ų84.110%0.09739%0.394CS..Hα-helixtrans-69.3-34.3-179.71760000111.6I465 A466 R499 L508I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CG2 3.42Å; I465-V469 PolarHBondContact O-N 3.42Å; A466-V469 PolarHBondContact O-N 3.47Å; V469-R499 HydrophobicContact CG1-CB 3.57Å; V469-L508 HydrophobicContact CG2-CD1 3.78Å
470C87.3Confident85.6Confident0 Ų086 Ų860%041%0.414CS..THydrogen-bonded Turntrans-107.638.3179.9-550000111.8A466 R468 D472 I473 L474 V492A466-C470 WeakPolarHBondContact O-CB 3.31Å; A466-C470 PolarHBondContact O-N 3.01Å; R468-C470 VanDerWaalsContact C-N 3.34Å; C470-D472 VanDerWaalsContact C-N 3.27Å; C470-D472 PolarHBondContact O-N 3.19Å; C470-I473 HydrophobicContact CB-CB 4.49Å; C470-I473 PolarHBondContact O-N 3.07Å; C470-L474 VanDerWaalsContact O-CB 3.3Å; C470-L474 WeakPolarHBondContact O-CB 3.25Å; C470-L474 PolarHBondContact O-N 3.4Å; C470-V492 HydrophobicContact CB-CG1 4.12Å
471E84Confident85.6Confident115 Ų11592.7 Ų92.754%0.53743%0.43SS..Hα-helixtrans-60.4-35.9-178.1-176.5173.3-172.800112.6Q475 P476E471-Q475 WeakPolarHBondContact O-CA 3.5Å; E471-Q475 PolarHBondContact O-N 3.03Å; E471-P476 HydrophobicContact CG-CG 4.08Å; E471-P476 WeakPolarHBondContact O-CD 3.26Å
472D83.6Confident85.7Confident85 Ų8591.7 Ų91.746%0.45542%0.422SS..Hα-helixtrans-62.2-3917657.5-36.7000113C470 Q475 R499C470-D472 VanDerWaalsContact C-N 3.27Å; C470-D472 PolarHBondContact O-N 3.19Å; D472-Q475 VanDerWaalsContact O-CG 3.26Å; D472-Q475 WeakPolarHBondContact O-CG 3.4Å; D472-Q475 PolarHBondContact O-NE2 3.04Å; D472-R499 IonicContact OD1-NH1 2.69Å; D472-R499 PolarHBondContact OD1-NH1 3.37Å; D472-R499 IonicContact OD2-CZ 3.13Å; D472-R499 IonicContact OD2-NH1 2.98Å; D472-R499 PolarHBondContact OD2-NH1 3.45Å; D472-R499 IonicContact OD2-NH2 2.8Å; D472-R499 PolarHBondContact OD2-NH2 2.79Å
473I84.8Confident85.6Confident69 Ų6991.8 Ų91.835%0.35443%0.429SS..Hα-helixtrans-84.2-43.8-179.6-60.2176.5000111.2C470 V492 E495C470-I473 HydrophobicContact CB-CB 4.49Å; C470-I473 PolarHBondContact O-N 3.07Å; I473-V492 HydrophobicContact CG2-CG2 4Å; I473-E495 HydrophobicContact CD1-CB 3.71Å; I473-E495 HydrophobicContact CD1-CG 3.55Å
474L85.7Confident85.6Confident25 Ų2599.4 Ų99.413%0.13145%0.452CS..Hα-helixtrans-74.8-31.1-177.3-179.363.3000112.6R467 C470 P476 I487R467-L474 HydrophobicContact CB-CD2 3.67Å; R467-L474 HydrophobicContact CG-CD2 3.49Å; R467-L474 VanDerWaalsContact CG-CD2 3.49Å; C470-L474 VanDerWaalsContact O-CB 3.3Å; C470-L474 WeakPolarHBondContact O-CB 3.25Å; C470-L474 PolarHBondContact O-N 3.4Å; L474-P476 HydrophobicContact CD2-CG 4.28Å; L474-P476 HydrophobicContact CG-CG 4.4Å; L474-I487 HydrophobicContact CD1-CD1 4.01Å; L474-I487 HydrophobicContact CD1-CG2 3.61Å
475Q86.6Confident85.6Confident86 Ų8696.1 Ų96.140%0.40245%0.451SS..  trans45.866.5-176-57.6-176-5.600112.7E471 D472 R477 R478 A479E471-Q475 WeakPolarHBondContact O-CA 3.5Å; E471-Q475 PolarHBondContact O-N 3.03Å; D472-Q475 VanDerWaalsContact O-CG 3.26Å; D472-Q475 WeakPolarHBondContact O-CG 3.4Å; D472-Q475 PolarHBondContact O-NE2 3.04Å; Q475-R477 VanDerWaalsContact C-N 3.26Å; Q475-R477 PolarHBondContact O-N 3.25Å; Q475-R477 VanDerWaalsContact O-N 3.08Å; Q475-R478 HydrophobicContact CB-CB 4.01Å; Q475-R478 WeakPolarHBondContact O-CA 3.45Å; Q475-R478 WeakPolarHBondContact O-CB 3.49Å; Q475-R478 PolarHBondContact O-N 3.26Å; Q475-A479 PolarHBondContact O-N 3.38Å
476P83.7Confident85.6Confident51 Ų5198.1 Ų98.133%0.33147%0.472SS..Hα-helixtrans-55.1-36.5-168.2-25.333000114.4E471 L474 R478 A480E471-P476 HydrophobicContact CG-CG 4.08Å; E471-P476 WeakPolarHBondContact O-CD 3.26Å; L474-P476 HydrophobicContact CD2-CG 4.28Å; L474-P476 HydrophobicContact CG-CG 4.4Å; P476-R478 VanDerWaalsContact C-N 3.35Å; P476-R478 PolarHBondContact O-N 3.36Å; P476-A480 VanDerWaalsContact O-CB 3.26Å; P476-A480 WeakPolarHBondContact O-CB 3.48Å; P476-A480 PolarHBondContact O-N 3.14Å
477R84.1Confident85.6Confident193 Ų193102.1 Ų102.173%0.72849%0.491SS*.Hα-helixtrans-64.1-38176.6-67.2-177.5-179175.9-0.1112.6Q475Q475-R477 VanDerWaalsContact C-N 3.26Å; Q475-R477 PolarHBondContact O-N 3.25Å; Q475-R477 VanDerWaalsContact O-N 3.08Å
478R86.2Confident85.6Confident138 Ų138101.9 Ų101.952%0.52150%0.498SS..Hα-helixtrans-75.9-43.6178.2-171.7-178.9-176.2-1791.3110.9Q475 P476 A480 R481 R482Q475-R478 HydrophobicContact CB-CB 4.01Å; Q475-R478 WeakPolarHBondContact O-CA 3.45Å; Q475-R478 WeakPolarHBondContact O-CB 3.49Å; Q475-R478 PolarHBondContact O-N 3.26Å; P476-R478 VanDerWaalsContact C-N 3.35Å; P476-R478 PolarHBondContact O-N 3.36Å; R478-A480 PolarHBondContact O-N 3.16Å; R478-R481 PolarHBondContact O-N 3.38Å; R478-R482 PolarHBondContact O-N 3.48Å
479A85.9Confident85.6Confident30 Ų3095.9 Ų95.925%0.24849%0.486CS..Hα-helixtrans-62.7-39.3177.500000112.2Q475 R481 R482 I487Q475-A479 PolarHBondContact O-N 3.38Å; A479-R481 PolarHBondContact O-N 3.02Å; A479-R482 CarbonylContact O-C 3.59Å; A479-R482 PolarHBondContact O-N 2.96Å; A479-I487 HydrophobicContact CB-CD1 4.27Å
480A85.2Confident85.7Confident84 Ų84100.8 Ų100.869%0.69451%0.512SS*.Hα-helixtrans-61.8-29.5177.100000113.5P476 R478P476-A480 VanDerWaalsContact O-CB 3.26Å; P476-A480 WeakPolarHBondContact O-CB 3.48Å; P476-A480 PolarHBondContact O-N 3.14Å; R478-A480 PolarHBondContact O-N 3.16Å
481R89.4Confident85.7Confident220 Ų220102.6 Ų102.683%0.8353%0.526SS*.THydrogen-bonded Turntrans-90.5-0.7177-62.5-179.8-176.1179.50.2113.1R478 A479R478-R481 PolarHBondContact O-N 3.38Å; A479-R481 PolarHBondContact O-N 3.02Å
482R87.4Confident85.8Confident142 Ų14298 Ų9854%0.53651%0.506SS..  trans-13667.4-176.5-65.6-171.3174.8-160.4-4.5111.5R478 A479 Y484 A485R478-R482 PolarHBondContact O-N 3.48Å; A479-R482 CarbonylContact O-C 3.59Å; A479-R482 PolarHBondContact O-N 2.96Å; R482-Y484 PolarHBondContact O-N 3.44Å; R482-Y484 VanDerWaalsContact O-N 3.16Å; R482-A485 HydrophobicContact CB-CB 3.91Å; R482-A485 PolarHBondContact O-N 3.4Å; R482-A485 VanDerWaalsContact O-N 3.14Å
483P83.5Confident86Confident101 Ų101100.5 Ų100.566%0.65651%0.513SS*.THydrogen-bonded Turntrans-64.9-21.6-173.626.4-35.3000114.3
484Y86.3Confident86.1Confident228 Ų22899.7 Ų99.789%0.89452%0.517SS*.THydrogen-bonded Turntrans-96.7-1.2179.9-52.4-62.9000113.7R482R482-Y484 PolarHBondContact O-N 3.44Å; R482-Y484 VanDerWaalsContact O-N 3.16Å
485A87.1Confident86.1Confident56 Ų56101.1 Ų101.146%0.46352%0.523SS..SBendtrans-84.1127.4175.900000110R482 I487R482-A485 HydrophobicContact CB-CB 3.91Å; R482-A485 PolarHBondContact O-N 3.4Å; R482-A485 VanDerWaalsContact O-N 3.14Å; A485-I487 PolarHBondContact O-N 3.17Å
486S83.8Confident86.1Confident121 Ų12197.4 Ų97.485%0.84651%0.506SS*.PPolyproline II helixtrans-65.7127.6177.856.70000111.1
487I88.4Confident86.1Confident97 Ų97102.1 Ų102.150%0.49753%0.526SS..PPolyproline II helixtrans-88.6133.3172.4-61.7167.9000108.1L474 A479 A485 A489L474-I487 HydrophobicContact CD1-CD1 4.01Å; L474-I487 HydrophobicContact CD1-CG2 3.61Å; A479-I487 HydrophobicContact CB-CD1 4.27Å; A485-I487 PolarHBondContact O-N 3.17Å; I487-A489 VanDerWaalsContact C-N 3.29Å; I487-A489 PolarHBondContact O-N 3.06Å
488N86.3Confident86.1Confident106 Ų10697.6 Ų97.657%0.56752%0.515SS*.  trans-73.883.6174.5-170-18.6000110.5N490 A491 V492N488-N490 PolarHBondContact O-N 3.25Å; N488-N490 PolarHBondContact OD1-N 2.99Å; N488-A491 HydrophobicContact CB-CB 4.21Å; N488-A491 PolarHBondContact O-N 3.23Å; N488-A491 PolarHBondContact OD1-N 3.49Å; N488-A491 VanDerWaalsContact OD1-N 3.13Å; N488-V492 PolarHBondContact O-N 3.25Å
489A84.2Confident85.9Confident51 Ų5194.6 Ų94.642%0.42150%0.503SS..Hα-helixtrans-63.6-27.4-177.200000113I487 K493I487-A489 VanDerWaalsContact C-N 3.29Å; I487-A489 PolarHBondContact O-N 3.06Å; A489-K493 WeakPolarHBondContact O-CB 3.3Å; A489-K493 VanDerWaalsContact O-CG 3.25Å; A489-K493 WeakPolarHBondContact O-CG 3.47Å; A489-K493 PolarHBondContact O-N 3.14Å
490N86.8Confident85.5Confident119 Ų11996.1 Ų96.164%0.63651%0.507SS*.Hα-helixtrans-72.9-42.2-179.8-68.1-14.7000111.4N488 V492 K493 A494N488-N490 PolarHBondContact O-N 3.25Å; N488-N490 PolarHBondContact OD1-N 2.99Å; N490-V492 VanDerWaalsContact C-N 3.35Å; N490-V492 PolarHBondContact O-N 3.49Å; N490-K493 PolarHBondContact O-N 2.93Å; N490-A494 WeakPolarHBondContact O-CB 3.33Å; N490-A494 PolarHBondContact O-N 3.17Å
491A86.9Confident84.9Confident37 Ų3795.9 Ų95.931%0.30650%0.499SS..Hα-helixtrans-61.2-43.2173.900000111.8N488 K493 A494 E495N488-A491 HydrophobicContact CB-CB 4.21Å; N488-A491 PolarHBondContact O-N 3.23Å; N488-A491 PolarHBondContact OD1-N 3.49Å; N488-A491 VanDerWaalsContact OD1-N 3.13Å; A491-K493 PolarHBondContact O-N 3.08Å; A491-A494 PolarHBondContact O-N 3.35Å; A491-E495 WeakPolarHBondContact O-CB 3.25Å; A491-E495 PolarHBondContact O-N 2.97Å
492V86.1Confident83.6Confident18 Ų1892.2 Ų92.211%0.10949%0.489CS..Hα-helixtrans-64.2-39.6177176.20000111.6C470 I473 N488 N490 C496C470-V492 HydrophobicContact CB-CG1 4.12Å; I473-V492 HydrophobicContact CG2-CG2 4Å; N488-V492 PolarHBondContact O-N 3.25Å; N490-V492 VanDerWaalsContact C-N 3.35Å; N490-V492 PolarHBondContact O-N 3.49Å; V492-C496 WeakPolarHBondContact O-CB 3.46Å; V492-C496 PolarHBondContact O-N 2.88Å
493K87.9Confident82.2Confident138 Ų13886.8 Ų86.860%0.647%0.474SS*.Hα-helixtrans-65.9-47.9176.8-76.7173.4-178.9-178.90112A489 N490 A491 C496 M497A489-K493 WeakPolarHBondContact O-CB 3.3Å; A489-K493 VanDerWaalsContact O-CG 3.25Å; A489-K493 WeakPolarHBondContact O-CG 3.47Å; A489-K493 PolarHBondContact O-N 3.14Å; N490-K493 PolarHBondContact O-N 2.93Å; A491-K493 PolarHBondContact O-N 3.08Å; K493-C496 PolarHBondContact O-N 2.87Å; K493-M497 WeakPolarHBondContact O-CG 3.33Å; K493-M497 PolarHBondContact O-N 2.8Å; K493-M497 VanDerWaalsContact O-N 3.09Å
494A87.3Confident80.9Confident53 Ų5387.4 Ų87.444%0.43848%0.476SS..Hα-helixtrans-60.8-47.9179.700000111.4N490 A491 C496 M497 I498N490-A494 WeakPolarHBondContact O-CB 3.33Å; N490-A494 PolarHBondContact O-N 3.17Å; A491-A494 PolarHBondContact O-N 3.35Å; A494-C496 PolarHBondContact O-N 3.38Å; A494-M497 PolarHBondContact O-N 3.31Å; A494-I498 WeakPolarHBondContact O-CG1 3.47Å; A494-I498 PolarHBondContact O-N 2.89Å
495E85.8Confident79.5Confident54 Ų5485.7 Ų85.725%0.25247%0.473SS..Hα-helixtrans-69.4-36.1-179.4-163.170.7-174.900112.2I473 A491 M497 I498 R499I473-E495 HydrophobicContact CD1-CB 3.71Å; I473-E495 HydrophobicContact CD1-CG 3.55Å; A491-E495 WeakPolarHBondContact O-CB 3.25Å; A491-E495 PolarHBondContact O-N 2.97Å; E495-M497 VanDerWaalsContact C-N 3.3Å; E495-M497 PolarHBondContact O-N 3.39Å; E495-I498 PolarHBondContact O-N 3.24Å; E495-R499 HydrophobicContact CG-CG 4.08Å; E495-R499 WeakPolarHBondContact O-CB 3.26Å; E495-R499 WeakPolarHBondContact O-CG 3.2Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 2.78Å; E495-R499 IonicContact OE1-NE 3.3Å; E495-R499 PolarHBondContact OE1-NE 3.24Å; E495-R499 IonicContact OE1-NH2 2.9Å; E495-R499 PolarHBondContact OE1-NH2 3.46Å
496C86.2Confident78Confident8 Ų886.7 Ų86.75%0.05448%0.477CS..Hα-helixtrans-61.7-39.6175.1-175.20000111.3A466 V492 K493 A494 I498 R499 L500A466-C496 HydrophobicContact CB-CB 4.1Å; A466-C496 VanDerWaalsContact CB-SG 3.53Å; V492-C496 WeakPolarHBondContact O-CB 3.46Å; V492-C496 PolarHBondContact O-N 2.88Å; K493-C496 PolarHBondContact O-N 2.87Å; A494-C496 PolarHBondContact O-N 3.38Å; C496-I498 VanDerWaalsContact C-N 3.3Å; C496-I498 PolarHBondContact O-N 3.47Å; C496-R499 PolarHBondContact O-N 3.29Å; C496-L500 WeakPolarHBondContact O-CB 3.39Å; C496-L500 PolarHBondContact O-N 3.02Å
497M83.6Confident76.7Confident151 Ų15186.5 Ų86.574%0.74447%0.473SS*.Hα-helixtrans-64.6-34.3177.4-73.4-18062.800112.5K493 A494 E495 P501K493-M497 WeakPolarHBondContact O-CG 3.33Å; K493-M497 PolarHBondContact O-N 2.8Å; K493-M497 VanDerWaalsContact O-N 3.09Å; A494-M497 PolarHBondContact O-N 3.31Å; E495-M497 VanDerWaalsContact C-N 3.3Å; E495-M497 PolarHBondContact O-N 3.39Å; M497-P501 WeakPolarHBondContact O-CD 3.46Å
498I84.4Confident75.2Confident97 Ų9787.1 Ų87.150%0.49748%0.477SS..Hα-helixtrans-78-38.2179-62.8167.7000111.6A494 E495 C496A494-I498 WeakPolarHBondContact O-CG1 3.47Å; A494-I498 PolarHBondContact O-N 2.89Å; E495-I498 PolarHBondContact O-N 3.24Å; C496-I498 VanDerWaalsContact C-N 3.3Å; C496-I498 PolarHBondContact O-N 3.47Å
499R81.8Confident73.7Confident75 Ų7591.4 Ų91.428%0.28349%0.491SS..Hα-helixtrans-88.4-26.6-174.2-66.5-173.3-173.5-179.48.3114.1V469 D472 E495 C496 K502 A503V469-R499 HydrophobicContact CG1-CB 3.57Å; D472-R499 IonicContact OD1-NH1 2.69Å; D472-R499 PolarHBondContact OD1-NH1 3.37Å; D472-R499 IonicContact OD2-CZ 3.13Å; D472-R499 IonicContact OD2-NH1 2.98Å; D472-R499 PolarHBondContact OD2-NH1 3.45Å; D472-R499 IonicContact OD2-NH2 2.8Å; D472-R499 PolarHBondContact OD2-NH2 2.79Å; E495-R499 HydrophobicContact CG-CG 4.08Å; E495-R499 WeakPolarHBondContact O-CB 3.26Å; E495-R499 WeakPolarHBondContact O-CG 3.2Å; E495-R499 PolarHBondContact O-N 2.87Å; E495-R499 IonicContact OE1-CZ 2.78Å; E495-R499 IonicContact OE1-NE 3.3Å; E495-R499 PolarHBondContact OE1-NE 3.24Å; E495-R499 IonicContact OE1-NH2 2.9Å; E495-R499 PolarHBondContact OE1-NH2 3.46Å; C496-R499 PolarHBondContact O-N 3.29Å; R499-K502 PolarHBondContact O-N 3.13Å; R499-A503 PolarHBondContact O-N 3.47Å
500L77.6Confident72.2Confident63 Ų6393.3 Ų93.333%0.3350%0.5SS..Hα-helixtrans-59.9-41.4-178.7-169.873.5000113.4L462 I465 C496 K502 A503L462-L500 HydrophobicContact CD1-CD2 3.87Å; I465-L500 HydrophobicContact CG2-CD1 3.8Å; C496-L500 WeakPolarHBondContact O-CB 3.39Å; C496-L500 PolarHBondContact O-N 3.02Å; L500-K502 PolarHBondContact O-N 2.95Å; L500-A503 PolarHBondContact O-N 3.3Å
501P72Confident70.8Confident79 Ų7996.3 Ų96.351%0.51351%0.508SS..Hα-helixtrans-68.5-18.3174.3-18.532.2000114.2M497 T504M497-P501 WeakPolarHBondContact O-CD 3.46Å; P501-T504 PolarHBondContact O-OG1 2.97Å
502K62.1Low69.5Low142 Ų142100.3 Ų100.362%0.61753%0.528SS*.Hα-helixtrans-88.1-30.8176.8-62.2-178.1-178.7179.60111.7R499 L500 T504 K505R499-K502 PolarHBondContact O-N 3.13Å; L500-K502 PolarHBondContact O-N 2.95Å; K502-T504 VanDerWaalsContact C-N 3.29Å; K502-T504 PolarHBondContact O-N 3.47Å; K502-K505 PolarHBondContact O-N 2.95Å
503A57.8Low68.6Low28 Ų28105.2 Ų105.223%0.23155%0.553CS.*Hα-helixtrans-71.6-16177.900000114.3R499 L500 K505 S506 L508R499-A503 PolarHBondContact O-N 3.47Å; L500-A503 PolarHBondContact O-N 3.3Å; A503-K505 VanDerWaalsContact C-N 3.34Å; A503-S506 CarbonylContact O-C 3.55Å; A503-L508 HydrophobicContact CB-CD1 4.26Å
504T57.2Low68.1Low115 Ų115103.8 Ų103.871%0.70656%0.557SS**THydrogen-bonded Turntrans-76.6-20.4170.744.60000112.9P501 K502P501-T504 PolarHBondContact O-OG1 2.97Å; K502-T504 VanDerWaalsContact C-N 3.29Å; K502-T504 PolarHBondContact O-N 3.47Å
505K55.8Low67.5Low191 Ų191112.9 Ų112.983%0.8358%0.58SS**THydrogen-bonded Turntrans-91.6-17.9177.6-62.9-173.6179.5-175.10113.5K502 A503K502-K505 PolarHBondContact O-N 2.95Å; A503-K505 VanDerWaalsContact C-N 3.34Å
506S55.3Low67.4Low77 Ų77116.1 Ų116.154%0.53860%0.595SS.*SBendtrans-138.8108.2172.154.40000110A503 L508A503-S506 CarbonylContact O-C 3.55Å; S506-L508 PolarHBondContact O-N 3.1Å
507P56.5Low67.4Low117 Ų117118.7 Ų118.776%0.7661%0.613SS**  trans-64.6124-176.223.6-30.9000110.5K509P507-K509 PolarHBondContact O-N 3.12Å
508L57.5Low67.2Low111 Ų111118.2 Ų118.258%0.58161%0.613SS**  trans-59.2110170.9-78.1156.9000108.6V469 A503 S506 S510V469-L508 HydrophobicContact CG2-CD1 3.78Å; A503-L508 HydrophobicContact CB-CD1 4.26Å; S506-L508 PolarHBondContact O-N 3.1Å; L508-S510 PolarHBondContact O-N 3.31Å
509K55Low67.1Low196 Ų196116.5 Ų116.585%0.85261%0.613SS**  trans-58.6103.8176.5-67.1-175.8-179.6-1780108.8P507 K511P507-K509 PolarHBondContact O-N 3.12Å; K509-K511 VanDerWaalsContact C-N 3.25Å; K509-K511 PolarHBondContact O-N 3Å
510S52.7Low67.1Low90 Ų90115.7 Ų115.763%0.62962%0.617SS**  trans-66.289169.6176.20000107.9L508 V512L508-S510 PolarHBondContact O-N 3.31Å; S510-V512 VanDerWaalsContact C-N 3.3Å; S510-V512 PolarHBondContact O-N 3.3Å
511K57.7Low67.4Low182 Ų182116 Ų11679%0.79162%0.618SS**  trans-65.596.9168.5-72.3-173.5178.7-177.60107K509 I513K509-K511 VanDerWaalsContact C-N 3.25Å; K509-K511 PolarHBondContact O-N 3Å; K511-I513 VanDerWaalsContact C-N 3.31Å; K511-I513 PolarHBondContact O-N 2.89Å
512V59.4Low67.8Low121 Ų121116.3 Ų116.373%0.73362%0.619SS**  trans-63.7101.7162.3179.20000104.8S510 P514S510-V512 VanDerWaalsContact C-N 3.3Å; S510-V512 PolarHBondContact O-N 3.3Å; V512-P514 WeakPolarHBondContact O-CD 3.11Å
513I67.7Low68.7Low122 Ų122116.5 Ų116.563%0.62662%0.619SS**  trans-71.9113.7172.8-60.6174000105.3K511 R515K511-I513 VanDerWaalsContact C-N 3.31Å; K511-I513 PolarHBondContact O-N 2.89Å; I513-R515 PolarHBondContact O-N 3.18Å
514P76.8Confident69.8Low107 Ų107118.9 Ų118.970%0.69563%0.628SS**PPolyproline II helixtrans-61126.3175.6-14.328.6000107.8V512 Q516V512-P514 WeakPolarHBondContact O-CD 3.11Å; P514-Q516 PolarHBondContact O-N 3.46Å
515R74.8Confident70.7Confident244 Ų244118.7 Ų118.792%0.92162%0.622SS**PPolyproline II helixtrans-70.2124.2170-70.9-172177.9-168.60.4107.2I513I513-R515 PolarHBondContact O-N 3.18Å
516Q84.2Confident71.5Confident122 Ų122113 Ų11357%0.5761%0.611SS**PPolyproline II helixtrans-61.1145.8172.3-69.8176.1-19.900109.8P514 I521P514-Q516 PolarHBondContact O-N 3.46Å; Q516-I521 HydrophobicContact CB-CD1 4.37Å; Q516-I521 HydrophobicContact CB-CG1 4.13Å
517S85.1Confident72.5Confident62 Ų62115.9 Ų115.943%0.43462%0.619SS.*PPolyproline II helixtrans-67.3150.717682.10000110.5A519 T520 I521S517-A519 PolarHBondContact O-N 3.48Å; S517-T520 WeakPolarHBondContact O-CB 3.39Å; S517-T520 PolarHBondContact O-N 3.47Å; S517-T520 PolarHBondContact OG-N 2.98Å; S517-T520 VanDerWaalsContact OG-N 3.17Å; S517-T520 PolarHBondContact OG-OG1 3.46Å; S517-I521 PolarHBondContact O-N 2.94Å; S517-I521 VanDerWaalsContact O-N 3.17Å
518L79.8Confident73.1Confident141 Ų141114.3 Ų114.374%0.73861%0.611SS**Hα-helixtrans-53.9-39.6174.9-170.585.6000111.1T520 I521 V522L518-T520 VanDerWaalsContact C-N 3.32Å; L518-T520 PolarHBondContact O-N 2.99Å; L518-I521 PolarHBondContact O-N 3.28Å; L518-V522 HydrophobicContact CG-CG2 4.47Å; L518-V522 VanDerWaalsContact O-CG2 3.3Å; L518-V522 WeakPolarHBondContact O-CG2 3.39Å; L518-V522 PolarHBondContact O-N 3.26Å
519A81.4Confident73Confident61 Ų61111.7 Ų111.750%0.50461%0.605SS.*Hα-helixtrans-61.8-38.2178.800000112.7S517 K523S517-A519 PolarHBondContact O-N 3.48Å; A519-K523 WeakPolarHBondContact O-CG 3.38Å; A519-K523 PolarHBondContact O-N 3.45Å; A519-K523 VanDerWaalsContact O-N 3.14Å
520T83.4Confident72.7Confident58 Ų58108 Ų10836%0.35660%0.602SS.*Hα-helixtrans-67.6-43.6176.3-46.20000111S517 L518 V522 K523 D524S517-T520 WeakPolarHBondContact O-CB 3.39Å; S517-T520 PolarHBondContact O-N 3.47Å; S517-T520 PolarHBondContact OG-N 2.98Å; S517-T520 VanDerWaalsContact OG-N 3.17Å; S517-T520 PolarHBondContact OG-OG1 3.46Å; L518-T520 VanDerWaalsContact C-N 3.32Å; L518-T520 PolarHBondContact O-N 2.99Å; T520-V522 VanDerWaalsContact C-N 3.34Å; T520-V522 PolarHBondContact O-N 2.98Å; T520-K523 PolarHBondContact O-N 3.14Å; T520-D524 PolarHBondContact O-N 3.17Å
521I82.4Confident72.7Confident70 Ų70111.2 Ų111.236%0.35961%0.61SS.*Hα-helixtrans-63.5-41.2179.3-63.3168.1000111Q516 S517 L518 D524 L525Q516-I521 HydrophobicContact CB-CD1 4.37Å; Q516-I521 HydrophobicContact CB-CG1 4.13Å; S517-I521 PolarHBondContact O-N 2.94Å; S517-I521 VanDerWaalsContact O-N 3.17Å; L518-I521 PolarHBondContact O-N 3.28Å; I521-D524 PolarHBondContact O-N 3.38Å; I521-L525 HydrophobicContact CG2-CD1 3.95Å; I521-L525 WeakPolarHBondContact O-CB 3.41Å; I521-L525 VanDerWaalsContact O-CG 3.31Å; I521-L525 WeakPolarHBondContact O-CG 3.07Å; I521-L525 PolarHBondContact O-N 2.8Å
522V80.8Confident71.9Confident86 Ų86112.1 Ų112.152%0.52161%0.614SS.*Hα-helixtrans-65.5-39.4177.41720000111.3L518 T520 A526L518-V522 HydrophobicContact CG-CG2 4.47Å; L518-V522 VanDerWaalsContact O-CG2 3.3Å; L518-V522 WeakPolarHBondContact O-CG2 3.39Å; L518-V522 PolarHBondContact O-N 3.26Å; T520-V522 VanDerWaalsContact C-N 3.34Å; T520-V522 PolarHBondContact O-N 2.98Å; V522-A526 WeakPolarHBondContact O-CB 3.43Å; V522-A526 PolarHBondContact O-N 3.34Å
523K81.6Confident71.5Confident145 Ų145114 Ų11463%0.6362%0.62SS**Hα-helixtrans-63.9-45.3174.7-76.2-179.6179.4-175.40112.1A519 T520 L525 A526 I527A519-K523 WeakPolarHBondContact O-CG 3.38Å; A519-K523 PolarHBondContact O-N 3.45Å; A519-K523 VanDerWaalsContact O-N 3.14Å; T520-K523 PolarHBondContact O-N 3.14Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 2.83Å; K523-A526 WeakPolarHBondContact O-CB 3.47Å; K523-A526 PolarHBondContact O-N 2.96Å; K523-I527 WeakPolarHBondContact O-CD1 3.44Å; K523-I527 VanDerWaalsContact O-CG1 3.25Å; K523-I527 WeakPolarHBondContact O-CG1 3.5Å; K523-I527 PolarHBondContact O-N 2.88Å
524D80.4Confident70.3Confident79 Ų79118 Ų11842%0.42263%0.633SS.*Hα-helixtrans-65.3-37.3179.1-71.4-11.9000112.4T520 I521 A526 I527 S528T520-D524 PolarHBondContact O-N 3.17Å; I521-D524 PolarHBondContact O-N 3.38Å; D524-A526 VanDerWaalsContact C-N 3.34Å; D524-I527 PolarHBondContact O-N 3.49Å; D524-S528 WeakPolarHBondContact O-CB 3.38Å; D524-S528 PolarHBondContact O-N 3.15Å; D524-S528 PolarHBondContact O-OG 3.01Å
525L77.1Confident68.3Low110 Ų110117.7 Ų117.758%0.57664%0.639SS**Hα-helixtrans-66.9-34.7174-74.9168.7000112.4I521 K523 S528I521-L525 HydrophobicContact CG2-CD1 3.95Å; I521-L525 WeakPolarHBondContact O-CB 3.41Å; I521-L525 VanDerWaalsContact O-CG 3.31Å; I521-L525 WeakPolarHBondContact O-CG 3.07Å; I521-L525 PolarHBondContact O-N 2.8Å; K523-L525 VanDerWaalsContact C-N 3.35Å; K523-L525 PolarHBondContact O-N 2.83Å; L525-S528 WeakPolarHBondContact CA-OG 3.47Å; L525-S528 PolarHBondContact O-OG 2.83Å
526A72.4Confident66.6Low72 Ų72111.7 Ų111.760%0.59563%0.634SS**Hα-helixtrans-70.4-35.2175.700000112.3V522 K523 D524V522-A526 WeakPolarHBondContact O-CB 3.43Å; V522-A526 PolarHBondContact O-N 3.34Å; K523-A526 WeakPolarHBondContact O-CB 3.47Å; K523-A526 PolarHBondContact O-N 2.96Å; D524-A526 VanDerWaalsContact C-N 3.34Å
527I75.2Confident64.4Low137 Ų137118 Ų11870%0.70365%0.653SS**Hα-helixtrans-75.9-32.6179.8-64.4161.3000111.8K523 D524 A529K523-I527 WeakPolarHBondContact O-CD1 3.44Å; K523-I527 VanDerWaalsContact O-CG1 3.25Å; K523-I527 WeakPolarHBondContact O-CG1 3.5Å; K523-I527 PolarHBondContact O-N 2.88Å; D524-I527 PolarHBondContact O-N 3.49Å; I527-A529 VanDerWaalsContact C-N 3.3Å; I527-A529 PolarHBondContact O-N 3.09Å
528S70.1Confident62.3Low85 Ų85117.8 Ų117.859%0.59466%0.66SS**THydrogen-bonded Turntrans-82.40.3-17651.90000115D524 L525 P530D524-S528 WeakPolarHBondContact O-CB 3.38Å; D524-S528 PolarHBondContact O-N 3.15Å; D524-S528 PolarHBondContact O-OG 3.01Å; L525-S528 WeakPolarHBondContact CA-OG 3.47Å; L525-S528 PolarHBondContact O-OG 2.83Å; S528-P530 WeakPolarHBondContact O-CD 3.2Å
529A54.3Low60.5Low55 Ų55116.9 Ų116.946%0.45566%0.663SS.*  trans-116.797-178.700000112.5I527 L531I527-A529 VanDerWaalsContact C-N 3.3Å; I527-A529 PolarHBondContact O-N 3.09Å; A529-L531 PolarHBondContact O-N 3.4Å; A529-L531 VanDerWaalsContact O-N 3.14Å
530P48.5Very low58.5Low120 Ų120120.1 Ų120.178%0.77968%0.678SS**  trans-68.7107.6153.327.7-28.1000107.6S528 K532S528-P530 WeakPolarHBondContact O-CD 3.2Å; P530-K532 PolarHBondContact O-N 3.43Å
531L54.3Low56.3Low156 Ų156123.5 Ų123.582%0.81770%0.699SS**  trans-58.795.1173.6-72.6166.3000110.2A529A529-L531 PolarHBondContact O-N 3.4Å; A529-L531 VanDerWaalsContact O-N 3.14Å
532K41.1Very low54Low201 Ų201126 Ų12687%0.87472%0.72SS**  trans-104.692.8152.2-87.5-174.2176.9178.50108.5P530 K534P530-K532 PolarHBondContact O-N 3.43Å; K532-K534 PolarHBondContact O-N 3.23Å; K532-K534 VanDerWaalsContact O-N 3.08Å
533L50.3Low51.8Low162 Ų162129.9 Ų129.985%0.84874%0.736SS**  trans-63.499.7159.8-87.1155.1000108.4
534K41.7Very low49.4Very low206 Ų206129.6 Ų129.690%0.89674%0.742SS**  trans-169.3100.7154.1-108.4171.5-174-176.40110.3K532K532-K534 PolarHBondContact O-N 3.23Å; K532-K534 VanDerWaalsContact O-N 3.08Å
535A35.2Very low47.3Very low100 Ų100136.7 Ų136.783%0.82676%0.763SS**  trans-161.3127.6146.700000109
536S38.7Very low45.3Very low118 Ų118138.2 Ų138.283%0.82577%0.771SS**  trans-57.1130.3175.952.20000111.3G538S536-G538 PolarHBondContact O-N 3.31Å; S536-G538 VanDerWaalsContact O-N 3.08Å
537R38.4Very low43.4Very low255 Ų255144.4 Ų144.496%0.96279%0.788SS**  trans-65.6105.6168-76.1-179.4175.1171.8-1.2109
538G40.7Very low41.2Very low56 Ų56142.7 Ų142.758%0.57779%0.794SS**PPolyproline II helixtrans-70.4157.7159.200000110.7S536S536-G538 PolarHBondContact O-N 3.31Å; S536-G538 VanDerWaalsContact O-N 3.08Å
539P41.9Very low39.4Very low123 Ų123143.7 Ų143.780%0.79980%0.801SS**PPolyproline II helixtrans-67.3149-178.827.9-32.8000111.4T541P539-T541 PolarHBondContact O-N 3.42Å
540P39.9Very low38.2Very low128 Ų128149.8 Ų149.883%0.83182%0.82SS**PPolyproline II helixtrans-72.7125.9179.630-30.9000109.8
541T36.5Very low37.4Very low130 Ų130149.2 Ų149.280%0.79882%0.817SS**PPolyproline II helixtrans-69.8134.9169.836.90000110.3P539P539-T541 PolarHBondContact O-N 3.42Å
542P34.3Very low36.2Very low123 Ų123153.7 Ų153.780%0.79982%0.823SS**PPolyproline II helixtrans-72.5132.2174.527.7-30.5000110.1N544P542-N544 PolarHBondContact O-N 2.91Å
543I35.1Very low35.5Very low166 Ų166151.1 Ų151.185%0.85182%0.823SS**  trans-6998.9173.5-66.8170.2000108R545I543-R545 PolarHBondContact O-N 3.27Å
544N31Very low34.5Very low140 Ų140147.6 Ų147.675%0.74982%0.818SS**  trans-73.9103.8171.6-165.5-27.3000109.4P542 N546P542-N544 PolarHBondContact O-N 2.91Å; N544-N546 PolarHBondContact O-N 3.47Å; N544-N546 PolarHBondContact OD1-N 3.47Å
545R36.9Very low33.8Very low228 Ų228147 Ų14786%0.8682%0.818SS**  trans-94.575.7171.8-174.2179.5176.9154.7-0.4108.7I543I543-R545 PolarHBondContact O-N 3.27Å
546N35.4Very low33.4Very low141 Ų141147.2 Ų147.275%0.75481%0.814SS**  trans-163.792.3161.1-92.3-23.5000109.9N544N544-N546 PolarHBondContact O-N 3.47Å; N544-N546 PolarHBondContact OD1-N 3.47Å
547Q31.8Very low32.9Very low202 Ų202149 Ų14994%0.94481%0.813SS**  trans-159.295.7154-109.6176.454.300109
548A28.9Very low32.5Very low102 Ų102145.1 Ų145.184%0.84381%0.81SS**  trans-143.681.7163.300000108.1
549S32Very low31.8Very low106 Ų106145.7 Ų145.774%0.74182%0.816SS**  trans176.993.9151.353.10000110.8
550Q29.9Very low31.2Very low183 Ų183148.9 Ų148.986%0.85582%0.818SS**  trans-158.1142142.1-84.8-53.2-34.300108.6
551P32.6Very low30.5Very low108 Ų108154 Ų15470%0.70182%0.821SS**  trans-83.6157-172.333.5-30.5000112.8
552R27.6Very low29.9Very low249 Ų249151.1 Ų151.194%0.9482%0.816SS**  trans-64.6131.9174.2-75.6178.4174.4-179.7-2.8111.5
553V27.5Very low29.4Very low147 Ų147154.7 Ų154.789%0.89182%0.82SS**  trans-133.2158.1150.4-175.80000109.1
554A28Very low28.9Very low88 Ų88154 Ų15473%0.72781%0.813SS**  trans-59.7176-151.800000121.3
555Q27.7Very low28.6Very low194 Ų194152.6 Ų152.691%0.90781%0.814SS**  trans-62.6156.2-175.4-60.9155.1-59.900116
556S26.8Very low28.1Very low105 Ų105146.3 Ų146.373%0.73481%0.811SS**  169.2109129.5-169.70000108.3
557L28.8Very low27.6Very low154 Ų154144.8 Ų144.881%0.80682%0.818SS**  61.9131.893.7-80.6167.1000116.3
558L30.1Very low27.3Very low174 Ų174138.9 Ų138.991%0.91181%0.811SS**  trans82.3135.2169.4-51.9165000115.2
559G25.7Very low27.2Very low68 Ų68140.5 Ų140.570%0.70181%0.81SS**  cis132.6110.89.700000110.5
560K28.9Very low27.4Very low190 Ų190141 Ų14183%0.82681%0.811SS**  trans72.6121.8154.6-64.5-177.8178.8177.20121.4
561R24.6Very low27.4Very low237 Ų237142.6 Ų142.689%0.89481%0.811SS**  35.2129.3127.2-72.4-170.6-99.8-173.4-6.2120.1
562G24.4Very low27.6Very low69 Ų69143.5 Ų143.571%0.71182%0.817SS**  126.3125.4105.300000118.5
563F23.9Very low27.6Very low197 Ų197135.5 Ų135.586%0.86480%0.804SS**  trans91.9143.6141.5-103.4-92.3000122.8
564E24.5Very low27.6Very low152 Ų152136.8 Ų136.871%0.7181%0.806SS**  trans-69.5153.4-170.4-56.6166.2128.200114.7
565S24.9Very low27.6Very low111 Ų111136 Ų13678%0.77681%0.806SS**  167.6130.2109.1-87.80000113.8
566A25.7Very low27.6Very low96 Ų96138.6 Ų138.679%0.79381%0.808SS**  63.7128.8127.500000123.1
567A25.4Very low27.9Very low109 Ų109138.6 Ų138.690%0.90181%0.805SS**  trans93.5132132.700000120.1
568G25.1Very low27.7Very low77 Ų77142.3 Ų142.379%0.79481%0.81SS**  trans131.283.414500000117.6
569V26.4Very low27.5Very low137 Ų137139.9 Ų139.983%0.8380%0.803SS**  trans-65.4161155.3-157.70000107.4
570P37.5Very low27.6Very low117 Ų117142.7 Ų142.776%0.7681%0.812SS**  cis-148.4173.132.539.7-15.7000119.7
571Y29.1Very low27.4Very low216 Ų216137 Ų13785%0.84781%0.807SS**  trans-53.2163.8166.4-95.1-91.5000114.1
572P36.5Very low27.5Very low127 Ų127134.7 Ų134.783%0.82581%0.808SS**  -138.5163.5109.734.8-20.3000115.6
573A27.4Very low27.7Very low81 Ų81143.3 Ų143.367%0.66982%0.82SS**  trans-81.4156.9-178.500000114.1
574N28.7Very low27.7Very low174 Ų174140.1 Ų140.193%0.9382%0.816SS**  trans170.3139.5147.7-83.9-22.1000106.4
575G27.2Very low27.9Very low72 Ų72139.2 Ų139.274%0.74282%0.821SS**  cis130.875.417.600000110.8
576R28.6Very low28Very low248 Ų248139.5 Ų139.594%0.93682%0.824SS**  trans75.1168.4150.6-108.4-173.4-153.9-135.76.8119.6
577P32.8Very low28.1Very low105 Ų105144 Ų14468%0.68283%0.828SS**  -117.7167.9-105.836.2-18.4000114.6
578Y24.6Very low28.1Very low232 Ų232144 Ų14491%0.9182%0.821SS**  trans-123.7136.1168.2-111.1-89.1000112.7
579T26.5Very low28.3Very low123 Ų123146.6 Ų146.676%0.75582%0.822SS**  trans-89.2167.6-177.254.70000112.7
580S26.9Very low28.5Very low127 Ų127147.4 Ų147.489%0.88882%0.82SS**  trans99.4129.3160.5-153.60000115
581G25.1Very low27.9Very low71 Ų71151 Ų15173%0.73282%0.823SS**  cis-167.9145.45.400000110.8
582M27.3Very low27.9Very low187 Ų187152.7 Ų152.792%0.92183%0.828SS**PPolyproline II helixtrans-77.7136.7174.9-68.7164.488.900110.1
583R26.7Very low27.5Very low251 Ų251155.4 Ų155.495%0.94783%0.83SS**PPolyproline II helixtrans-103.9126.9156-88-172.6-168.9-168.23.5109.4
584T25.5Very low27.6Very low129 Ų129161.6 Ų161.679%0.79184%0.842SS**PPolyproline II helixtrans-85.6135.6176.145.70000110.4
585T27.8Very low27.6Very low133 Ų133160 Ų16082%0.81684%0.837SS**  trans-135.9103.6160.749.90000109.5
586S27.4Very low27.6Very low118 Ų118161.4 Ų161.483%0.82584%0.836SS**  trans15.3110.315355.70000119.1
587Q27Very low27.8Very low191 Ų191159.2 Ų159.289%0.89384%0.837SS**  trans-74.3130.7158.6-73179.7-900110.2
588S26.8Very low27.8Very low107 Ų107157.4 Ų157.475%0.74884%0.838SS**  trans-87.8119.4164.146.90000109.6I590S588-I590 PolarHBondContact O-N 2.9Å
589V28.8Very low28.2Very low133 Ų133155.8 Ų155.881%0.80684%0.838SS**  trans-76.4110.6175.6175.60000108.5
590I29.5Very low28.4Very low154 Ų154154.3 Ų154.379%0.7984%0.838SS**  trans-103.7116.4165.4-62.9176.6000107.9S588 R592S588-I590 PolarHBondContact O-N 2.9Å; I590-R592 PolarHBondContact O-N 2.8Å
591K26.6Very low28.6Very low193 Ų193154.3 Ų154.384%0.83984%0.835SS**  trans-50.9125.7175.6-81.1174171.1174.70111Q593K591-Q593 PolarHBondContact O-N 2.69Å
592R28.7Very low29Very low251 Ų251158 Ų15895%0.94784%0.839SS**  trans-60.9115.6163.5-86.2178.6171172.5-3.3109.3I590I590-R592 PolarHBondContact O-N 2.8Å
593Q27.8Very low29.3Very low183 Ų183154.5 Ų154.586%0.85583%0.83SS**PPolyproline II helixtrans-80.9123.5164.7-149.6170.44.700107.7K591 V595K591-Q593 PolarHBondContact O-N 2.69Å; Q593-V595 PolarHBondContact O-N 2.9Å
594K29.7Very low29.4Very low212 Ų212148.4 Ų148.492%0.92282%0.82SS**PPolyproline II helixtrans-61.1119.6171.4-93.1-179.8172179.70108.4
595V29.2Very low29.6Very low139 Ų139147.6 Ų147.684%0.84282%0.815SS**PPolyproline II helixtrans-84.5127.5166.6176.60000108Q593Q593-V595 PolarHBondContact O-N 2.9Å
596S27.3Very low29.7Very low103 Ų103150.7 Ų150.772%0.7282%0.817SS**PPolyproline II helixtrans-58.5132.2175.4-174.20000111.1G598S596-G598 PolarHBondContact O-N 3.04Å
597Q32.3Very low29.8Very low201 Ų201150.5 Ų150.594%0.93981%0.811SS**THydrogen-bonded Turntrans-65.2112.4161.5-76.7179-16.600107.2
598G33.4Very low30.1Very low68 Ų68145.8 Ų145.870%0.70181%0.805SS**THydrogen-bonded Turntrans-176.3-25.5-179.100000116.4S596S596-G598 PolarHBondContact O-N 3.04Å
599E32.6Very low31.1Very low198 Ų198145.1 Ų145.193%0.92580%0.796SS**  trans-144.888.5179.2-74.7-176.9144.300111
600A30.5Very low31.3Very low91 Ų91148.2 Ų148.275%0.75280%0.798SS**  trans-111.8125.6160.200000107.5N602A600-N602 PolarHBondContact O-N 3.32Å
601P31Very low31.7Very low128 Ų128147.9 Ų147.983%0.83180%0.798SS**  trans-70.8129174.427.2-29.9000109.6
602N33.3Very low32.5Very low149 Ų149144.1 Ų144.180%0.79779%0.792SS**  trans-53.1141.4177.8-88.7-31.5000112.1A600 V604A600-N602 PolarHBondContact O-N 3.32Å; N602-V604 PolarHBondContact O-N 3.36Å
603P32.5Very low32.7Very low113 Ų113146.7 Ų146.773%0.73480%0.801SS**  trans-68.4115.8171.427.7-31.5000110V605P603-V605 PolarHBondContact O-N 3.2Å; P603-V605 VanDerWaalsContact O-N 3.14Å
604V30Very low32.9Very low122 Ų122144.9 Ų144.974%0.73980%0.799SS**  trans-68.6106.5172.3178.30000108.5N602 F606N602-V604 PolarHBondContact O-N 3.36Å; V604-F606 HydrophobicContact CG1-CE2 4.32Å
605V30.1Very low33.1Very low113 Ų113141.3 Ų141.369%0.68579%0.792SS**  trans-85.1117.7170179.40000107.6P603 V607P603-V605 PolarHBondContact O-N 3.2Å; P603-V605 VanDerWaalsContact O-N 3.14Å; V605-V607 HydrophobicContact CG1-CG2 4.1Å; V605-V607 PolarHBondContact O-N 3Å
606F29.5Very low33.3Very low197 Ų197141.4 Ų141.486%0.86479%0.789SS**  trans-75.9106.2168.5-79.1-88.6000108.7V604V604-F606 HydrophobicContact CG1-CE2 4.32Å
607V29.8Very low33.7Very low115 Ų115143.7 Ų143.770%0.69779%0.793SS**PPolyproline II helixtrans-92.5117167.1-179.90000107.2V605 T609V605-V607 HydrophobicContact CG1-CG2 4.1Å; V605-V607 PolarHBondContact O-N 3Å; V607-T609 PolarHBondContact O-N 3.05Å
608A32.6Very low33.8Very low92 Ų92140.1 Ų140.176%0.7678%0.784SS**PPolyproline II helixtrans-70.9119.1170.900000109.2
609T48.5Very low33.8Very low92 Ų92144.9 Ų144.956%0.56479%0.79SS**PPolyproline II helixtrans-89.6160.3171.952.60000110.8V607 D611 T612V607-T609 PolarHBondContact O-N 3.05Å; T609-D611 PolarHBondContact O-N 3.4Å; T609-T612 PolarHBondContact O-N 3.2Å; T609-T612 PolarHBondContact O-OG1 2.97Å
610K33.2Very low33.9Very low198 Ų198141.1 Ų141.186%0.86178%0.78SS**G310 helixtrans-62.1-9.3-173.8-114.6177.9176.9-179.40115.1
611D37.7Very low34.1Very low148 Ų148145 Ų14579%0.79178%0.782SS**G310 helixtrans-91.84.8-173.8-57.6-38.1000113.9T609T609-D611 PolarHBondContact O-N 3.4Å
612T42.1Very low34.4Very low114 Ų114146.4 Ų146.470%0.69978%0.778SS**G310 helixtrans-116.838.1173.159.40000112.9T609T609-T612 PolarHBondContact O-N 3.2Å; T609-T612 PolarHBondContact O-OG1 2.97Å
613R33.5Very low34.5Very low304 Ų304146.2 Ų146.2100%1.14778%0.777SS**  trans-109.40166.3-94.7-169.4178.5-174.10.3111.5

Retrieved 613 of 613 residues in 191.7 ms (Link to these results)

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