A0A077ZCL3_TRITR Loading...

Origin recognition complex subunit 1

Component of the origin recognition complex (ORC) that binds origins of replication. DNA-binding is ATP-dependent, however specific DNA sequences that define origins of replication have not been identified so far. ORC is required to assemble the pre-replication complex necessary to initiate DNA replication.

AlphaFold DB , UniProt , Accession A0A077ZCL3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 681 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
1M58.9Low64.7Low39 Ų3958.5 Ų58.519%0.19231%0.314CS..  0179.70-140.9-132.4-89.500108.2C3 V127 I130 L153 A157M1-C3 PolarHBondContact O-N 3.2Å; M1-V127 HydrophobicContact CB-CG2 3.95Å; M1-V127 HydrophobicContact CE-CG2 3.72Å; M1-V127 HydrophobicContact SD-CG2 3.93Å; M1-I130 HydrophobicContact CE-CD1 4.26Å; M1-L153 HydrophobicContact CE-CD1 3.32Å; M1-L153 HydrophobicContact CE-CG 4.28Å; M1-L153 HydrophobicContact CG-CD1 4.41Å; M1-L153 HydrophobicContact SD-CD1 3.67Å; M1-A157 HydrophobicContact CE-CB 3.88Å
2A59.4Low63.7Low0 Ų064.8 Ų64.80%035%0.348CS..BIsolated β-bridgetrans-64.6118.5165.300000107.3V38 Y41 W43 E126 V127A2-V38 HydrophobicContact CB-CB 3.67Å; A2-V38 HydrophobicContact CB-CG1 3.64Å; A2-V38 HydrophobicContact CB-CG2 4.36Å; A2-Y41 HydrophobicContact CB-CD2 4.49Å; A2-W43 HydrophobicContact CB-CZ3 4.25Å; A2-E126 HydrophobicContact CB-CG 4.42Å; A2-E126 WeakPolarHBondContact O-CG 3.46Å; A2-V127 PolarHBondContact O-N 2.68Å
3C68.4Low63.1Low13 Ų1368.5 Ų68.59%0.08837%0.367CS..  trans-120.4143.9170.9-75.70000107.7M1 S5 A6 E126M1-C3 PolarHBondContact O-N 3.2Å; C3-S5 WeakPolarHBondContact CB-OG 3.47Å; C3-S5 PolarHBondContact O-N 3.33Å; C3-A6 WeakPolarHBondContact O-CA 3.29Å; C3-A6 VanDerWaalsContact O-CB 3.27Å; C3-A6 WeakPolarHBondContact O-CB 3.47Å; C3-A6 PolarHBondContact O-N 3.49Å; C3-E126 VanDerWaalsContact CA-OE1 3.31Å; C3-E126 WeakPolarHBondContact CA-OE1 3.43Å
4F70.2Confident62Low8 Ų869.9 Ų69.94%0.03539%0.386CS..G310 helixtrans-53.4-34.3172.7-175.4-101.1000112.8A6 L7 C101 Q104 R105 S110 L112 E126F4-A6 PolarHBondContact O-N 3.25Å; F4-L7 HydrophobicContact CD2-CD1 3.53Å; F4-L7 HydrophobicContact CE2-CD1 3.88Å; F4-L7 HydrophobicContact CG-CD1 4.27Å; F4-L7 VanDerWaalsContact O-CB 3.32Å; F4-L7 WeakPolarHBondContact O-CB 3.26Å; F4-L7 WeakPolarHBondContact O-CG 3.4Å; F4-L7 PolarHBondContact O-N 3.18Å; F4-L7 VanDerWaalsContact O-N 3.09Å; F4-C101 HydrophobicContact CE2-CB 4.44Å; F4-C101 HydrophobicContact CZ-CB 4.38Å; F4-Q104 HydrophobicContact CZ-CB 4.13Å; F4-R105 HydrophobicContact CE1-CG 4.08Å; F4-R105 HydrophobicContact CZ-CG 4.46Å; F4-S110 WeakPolarHBondContact CB-O 3.29Å; F4-S110 VanDerWaalsContact CD1-C 3.43Å; F4-S110 WeakPolarHBondContact CD1-O 3.33Å; F4-S110 VanDerWaalsContact CG-O 3.23Å; F4-S110 WeakPolarHBondContact CG-O 3.32Å; F4-L112 HydrophobicContact CD2-CD2 4.4Å; F4-L112 HydrophobicContact CD2-CG 4.05Å; F4-L112 HydrophobicContact CE2-CD2 3.79Å; F4-L112 HydrophobicContact CE2-CG 3.9Å; F4-E126 PolarHBondContact N-OE1 2.97Å
5S68.7Low61.6Low71 Ų7170.9 Ų70.950%0.49739%0.389SS..G310 helixtrans-61.3-23.6173.7560000114C3 L7C3-S5 WeakPolarHBondContact CB-OG 3.47Å; C3-S5 PolarHBondContact O-N 3.33Å; S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 3Å
6A66.7Low62.1Low45 Ų4569.8 Ų69.837%0.37239%0.388SS..G310 helixtrans-82.1-1.3176.700000113.8C3 F4 E8 V38C3-A6 WeakPolarHBondContact O-CA 3.29Å; C3-A6 VanDerWaalsContact O-CB 3.27Å; C3-A6 WeakPolarHBondContact O-CB 3.47Å; C3-A6 PolarHBondContact O-N 3.49Å; F4-A6 PolarHBondContact O-N 3.25Å; A6-E8 VanDerWaalsContact C-N 3.29Å; A6-E8 PolarHBondContact O-N 3.29Å; A6-V38 HydrophobicContact CB-CG1 4.49Å
7L72.4Confident63.4Low0 Ų066.8 Ų66.80%037%0.37CS..  trans-80.473174.9-62.1172000110.1F4 S5 L9 F17 V38 F97 R105F4-L7 HydrophobicContact CD2-CD1 3.53Å; F4-L7 HydrophobicContact CE2-CD1 3.88Å; F4-L7 HydrophobicContact CG-CD1 4.27Å; F4-L7 VanDerWaalsContact O-CB 3.32Å; F4-L7 WeakPolarHBondContact O-CB 3.26Å; F4-L7 WeakPolarHBondContact O-CG 3.4Å; F4-L7 PolarHBondContact O-N 3.18Å; F4-L7 VanDerWaalsContact O-N 3.09Å; S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 3Å; L7-L9 PolarHBondContact O-N 3.27Å; L7-F17 HydrophobicContact CB-CE1 4.41Å; L7-F17 HydrophobicContact CB-CZ 4.49Å; L7-F17 HydrophobicContact CD2-CD1 3.37Å; L7-F17 HydrophobicContact CD2-CE1 3.56Å; L7-F17 HydrophobicContact CD2-CG 4.05Å; L7-F17 HydrophobicContact CD2-CZ 4.34Å; L7-V38 HydrophobicContact CD2-CB 4.48Å; L7-V38 HydrophobicContact CD2-CG1 3.95Å; L7-V38 HydrophobicContact CD2-CG2 3.97Å; L7-F97 HydrophobicContact CD1-CE1 4.47Å; L7-F97 HydrophobicContact CD1-CZ 3.83Å; L7-F97 HydrophobicContact CD2-CE1 4.36Å; L7-F97 HydrophobicContact CD2-CZ 3.93Å; L7-R105 PolarHBondContact O-NH2 3.12Å
8E67.5Low65Low145 Ų14563.1 Ų63.168%0.67835%0.349SS*.  trans-6994.4174.4-70.8-179.4179.700110A6 D10 F17A6-E8 VanDerWaalsContact C-N 3.29Å; A6-E8 PolarHBondContact O-N 3.29Å; E8-D10 PolarHBondContact O-N 2.67Å; E8-D10 VanDerWaalsContact O-N 3.08Å; E8-F17 WeakPolarHBondContact O-CZ 3.45Å
9L65.5Low66.5Low41 Ų4162.7 Ų62.722%0.21535%0.345CS..  trans-74.593.7173.5-66.6177.1000108.8L7 F17 C101 L102L7-L9 PolarHBondContact O-N 3.27Å; L9-F17 HydrophobicContact CD2-CD2 4.45Å; L9-F17 HydrophobicContact CD2-CE2 4.16Å; L9-C101 HydrophobicContact CD1-CB 3.57Å; L9-C101 HydrophobicContact CG-CB 4.5Å; L9-L102 HydrophobicContact CD1-CD2 3.93Å; L9-L102 HydrophobicContact CD1-CG 3.95Å
10D60.7Low67.9Low97 Ų9759.6 Ų59.652%0.51933%0.327SS..  trans-74.3141169.6-124.1-1.2000109.9E8 N12 D13E8-D10 PolarHBondContact O-N 2.67Å; E8-D10 VanDerWaalsContact O-N 3.08Å; D10-N12 PolarHBondContact O-N 3.48Å; D10-N12 VanDerWaalsContact O-N 3.11Å; D10-D13 PolarHBondContact O-N 2.87Å
11E53.4Low69.2Low184 Ų18464.2 Ų64.286%0.8634%0.344SS*.THydrogen-bonded Turntrans-60.9-22.7179.1-72-171160.200112.4D13E11-D13 PolarHBondContact O-N 3.3Å
12N53Low70.9Confident135 Ų13563.3 Ų63.372%0.72235%0.345SS*.THydrogen-bonded Turntrans-84.75.9-174.7-75.2-31.7000115.9D10 S14D10-N12 PolarHBondContact O-N 3.48Å; D10-N12 VanDerWaalsContact O-N 3.11Å; N12-S14 PolarHBondContact O-N 3.26Å
13D54.9Low72.5Confident112 Ų11266.2 Ų66.260%0.59936%0.356SS*.  trans5712.8173.8-106.821.8000115.4D10 E11 I15 K98D10-D13 PolarHBondContact O-N 2.87Å; E11-D13 PolarHBondContact O-N 3.3Å; D13-I15 VanDerWaalsContact C-N 3.3Å; D13-I15 PolarHBondContact O-N 3.48Å; D13-K98 IonicContact OD1-NZ 2.9Å; D13-K98 PolarHBondContact OD1-NZ 3.46Å
14S48Very low73.8Confident89 Ų8969.2 Ų69.262%0.62237%0.374SS*.  trans-73.4-20.1-173.554.10000113.4N12N12-S14 PolarHBondContact O-N 3.26Å
15I55.7Low74.7Confident85 Ų8572.5 Ų72.544%0.43640%0.395SS..  trans-103.798.7-179.6-56.2171.7000109.2D13 F17D13-I15 VanDerWaalsContact C-N 3.3Å; D13-I15 PolarHBondContact O-N 3.48Å; I15-F17 HydrophobicContact CB-CE2 4.11Å; I15-F17 HydrophobicContact CB-CZ 4.35Å; I15-F17 HydrophobicContact CG2-CD1 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.15Å; I15-F17 HydrophobicContact CG2-CE1 3.98Å; I15-F17 HydrophobicContact CG2-CE2 3.7Å; I15-F17 HydrophobicContact CG2-CG 4.49Å; I15-F17 HydrophobicContact CG2-CZ 3.61Å; I15-F17 WeakPolarHBondContact O-CD2 3.2Å; I15-F17 PolarHBondContact O-N 3.17Å; I15-F17 VanDerWaalsContact O-N 3.16Å
16S70Confident75.6Confident53 Ų5374.5 Ų74.537%0.37140%0.395SS..  trans-8290.9175.570.70000111.4I18S16-I18 PolarHBondContact O-N 2.95Å
17F84.6Confident76.4Confident18 Ų1879.1 Ų79.18%0.07942%0.419CS..SBendtrans-61.8-22.1172.4-63.5-83.5000113.3L7 E8 L9 I15 V36 S37 F97L7-F17 HydrophobicContact CB-CE1 4.41Å; L7-F17 HydrophobicContact CB-CZ 4.49Å; L7-F17 HydrophobicContact CD2-CD1 3.37Å; L7-F17 HydrophobicContact CD2-CE1 3.56Å; L7-F17 HydrophobicContact CD2-CG 4.05Å; L7-F17 HydrophobicContact CD2-CZ 4.34Å; E8-F17 WeakPolarHBondContact O-CZ 3.45Å; L9-F17 HydrophobicContact CD2-CD2 4.45Å; L9-F17 HydrophobicContact CD2-CE2 4.16Å; I15-F17 HydrophobicContact CB-CE2 4.11Å; I15-F17 HydrophobicContact CB-CZ 4.35Å; I15-F17 HydrophobicContact CG2-CD1 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.15Å; I15-F17 HydrophobicContact CG2-CE1 3.98Å; I15-F17 HydrophobicContact CG2-CE2 3.7Å; I15-F17 HydrophobicContact CG2-CG 4.49Å; I15-F17 HydrophobicContact CG2-CZ 3.61Å; I15-F17 WeakPolarHBondContact O-CD2 3.2Å; I15-F17 PolarHBondContact O-N 3.17Å; I15-F17 VanDerWaalsContact O-N 3.16Å; F17-V36 CarbonylContact O-C 3.54Å; F17-V36 WeakPolarHBondContact O-CA 3.28Å; F17-S37 WeakPolarHBondContact CA-O 3.3Å; F17-S37 VanDerWaalsContact CD1-O 3.27Å; F17-S37 WeakPolarHBondContact CD1-O 3.14Å; F17-S37 PolarHBondContact O-N 3.29Å; F17-F97 HydrophobicContact CB-CE1 3.89Å; F17-F97 HydrophobicContact CB-CZ 4.31Å; F17-F97 HydrophobicContact CD2-CE1 4.36Å; F17-F97 HydrophobicContact CG-CE1 4.18Å
18I91.1Very high76.9Confident1 Ų185.7 Ų85.71%0.00545%0.454CS..EExtended strand (participates in β ladder)trans-136.9130.1-177.7-60.2178.6000109.6S16 I34 V35 L93 R94 F97 L120S16-I18 PolarHBondContact O-N 2.95Å; I18-I34 HydrophobicContact CG2-CG2 3.75Å; I18-V35 WeakPolarHBondContact CA-O 3.36Å; I18-L93 HydrophobicContact CD1-CG 4.44Å; I18-L93 HydrophobicContact CG2-CD2 3.67Å; I18-L93 HydrophobicContact CG2-CG 4.08Å; I18-R94 HydrophobicContact CB-CG 4.47Å; I18-R94 PolarHBondContact O-NE 2.96Å; I18-R94 PolarHBondContact O-NH2 3.49Å; I18-F97 HydrophobicContact CD1-CB 3.62Å; I18-F97 HydrophobicContact CD1-CD1 4.12Å; I18-F97 HydrophobicContact CD1-CD2 3.36Å; I18-F97 HydrophobicContact CD1-CE2 3.95Å; I18-F97 HydrophobicContact CD1-CG 3.43Å; I18-F97 VanDerWaalsContact CD1-CG 3.43Å; I18-F97 HydrophobicContact CG1-CD2 4.4Å; I18-F97 HydrophobicContact CG1-CG 4.38Å; I18-L120 HydrophobicContact CD1-CD1 3.48Å; I18-L120 VanDerWaalsContact CD1-CD1 3.48Å; I18-L120 HydrophobicContact CD1-CD2 4.28Å
19H93.6Very high77.8Confident56 Ų5681.9 Ų81.926%0.25944%0.435SS..EExtended strand (participates in β ladder)trans-141.6155.8167.187.978.1000111K21 I34 V35H19-K21 WeakPolarHBondContact CE1-CA 3.45Å; H19-K21 VanDerWaalsContact CE1-CB 3.46Å; H19-K21 WeakPolarHBondContact CE1-CB 3.35Å; H19-K21 WeakPolarHBondContact ND1-CA 3.48Å; H19-K21 PolarHBondContact ND1-N 2.8Å; H19-I34 CarbonylContact O-C 3.57Å; H19-V35 PolarHBondContact N-O 3.45Å; H19-V35 WeakPolarHBondContact NE2-CB 3.19Å; H19-V35 WeakPolarHBondContact NE2-CG2 3.4Å; H19-V35 PolarHBondContact O-N 3.32Å
20I95.6Very high79.1Confident0 Ų080.5 Ų80.50%043%0.428CS..EExtended strand (participates in β ladder)trans-101.7102.6174.7-56.8-173.5000108.2G22 Y32 T33 I34 F52 R86 L89 E90I20-G22 VanDerWaalsContact C-N 3.27Å; I20-G22 PolarHBondContact O-N 2.69Å; I20-Y32 HydrophobicContact CG2-CD1 4.32Å; I20-T33 CarbonylContact C-O 3.43Å; I20-T33 WeakPolarHBondContact CA-O 3.21Å; I20-I34 HydrophobicContact CG1-CG1 4.25Å; I20-F52 HydrophobicContact CD1-CZ 4.04Å; I20-R86 HydrophobicContact CB-CG 3.93Å; I20-R86 HydrophobicContact CG2-CG 3.5Å; I20-R86 VanDerWaalsContact CG2-CG 3.5Å; I20-R86 WeakPolarHBondContact O-CD 3.37Å; I20-R86 PolarHBondContact O-NH1 3.12Å; I20-L89 HydrophobicContact CD1-CB 3.71Å; I20-E90 HydrophobicContact CB-CB 4.23Å; I20-E90 HydrophobicContact CD1-CB 3.99Å; I20-E90 HydrophobicContact CG1-CB 3.86Å; I20-E90 HydrophobicContact CG1-CG 4.22Å; I20-E90 PolarHBondContact N-OE2 2.84Å
21K94.3Very high80.7Confident156 Ų15678 Ų7868%0.67841%0.413SS*.EExtended strand (participates in β ladder)trans-60-36.4-172.6-173.9173.2179.31750113.5H19 T33 V35H19-K21 WeakPolarHBondContact CE1-CA 3.45Å; H19-K21 VanDerWaalsContact CE1-CB 3.46Å; H19-K21 WeakPolarHBondContact CE1-CB 3.35Å; H19-K21 WeakPolarHBondContact ND1-CA 3.48Å; H19-K21 PolarHBondContact ND1-N 2.8Å; K21-T33 PolarHBondContact N-O 3.39Å; K21-V35 HydrophobicContact CB-CG2 3.84Å; K21-V35 HydrophobicContact CD-CG2 4.24Å
22G94.3Very high82.8Confident21 Ų2169.6 Ų69.622%0.21637%0.373CS..EExtended strand (participates in β ladder)trans176.7-166.9-174.600000111.2I20 T33I20-G22 VanDerWaalsContact C-N 3.27Å; I20-G22 PolarHBondContact O-N 2.69Å; G22-T33 PolarHBondContact O-N 3.49Å
23Y94.8Very high84.9Confident60 Ų6064.3 Ų64.324%0.23535%0.346CS..EExtended strand (participates in β ladder)trans-136.3152.217561.5-94.2000110.8V25 T30 F31 C79 L82 N83Y23-V25 HydrophobicContact CD2-CG2 4.02Å; Y23-V25 HydrophobicContact CE2-CG2 4.09Å; Y23-T30 HydrophobicContact CD2-CG2 3.98Å; Y23-T30 HydrophobicContact CG-CG2 4.27Å; Y23-F31 CarbonylContact C-O 3.58Å; Y23-F31 WeakPolarHBondContact CA-O 3.36Å; Y23-F31 VanDerWaalsContact CB-O 3.32Å; Y23-F31 WeakPolarHBondContact CB-O 3.39Å; Y23-C79 PolarHBondContact OH-O 3.35Å; Y23-L82 HydrophobicContact CD1-CB 4.1Å; Y23-L82 HydrophobicContact CD2-CB 4.1Å; Y23-L82 HydrophobicContact CD2-CD1 3.82Å; Y23-L82 HydrophobicContact CE1-CB 3.81Å; Y23-L82 HydrophobicContact CE2-CB 3.81Å; Y23-L82 HydrophobicContact CE2-CD1 3.57Å; Y23-L82 HydrophobicContact CE2-CG 4.36Å; Y23-L82 HydrophobicContact CG-CB 4.25Å; Y23-N83 WeakPolarHBondContact CE1-OD1 3.5Å
24T94.2Very high86.9Confident76 Ų7659 Ų5947%0.46632%0.317SS..EExtended strand (participates in β ladder)trans-122.3122.6174.4-59.10000109T30 F31T24-T30 WeakPolarHBondContact O-CA 3.44Å; T24-F31 PolarHBondContact N-O 3.11Å; T24-F31 PolarHBondContact O-N 3.48Å
25V90.7Very high89.2Confident77 Ų7754.8 Ų54.847%0.46729%0.288SS..EExtended strand (participates in β ladder)trans-87.9123176.2-1780000109Y23 T30 L82Y23-V25 HydrophobicContact CD2-CG2 4.02Å; Y23-V25 HydrophobicContact CE2-CG2 4.09Å; V25-T30 HydrophobicContact CG2-CG2 4.14Å; V25-L82 HydrophobicContact CG2-CD1 3.69Å
26K87.3Confident91.1Very high113 Ų11350.8 Ų50.849%0.49127%0.268SS..  trans-105.9171.4163.5-63.9-149.7-179.1-177.80109.1D28 F29 F31K26-D28 PolarHBondContact O-N 2.93Å; K26-F29 WeakPolarHBondContact CA-O 3.26Å; K26-F29 HydrophobicContact CB-CD2 4.06Å; K26-F29 HydrophobicContact CB-CE2 3.64Å; K26-F29 HydrophobicContact CB-CZ 3.96Å; K26-F29 HydrophobicContact CD-CE2 3.69Å; K26-F29 HydrophobicContact CD-CZ 3.85Å; K26-F29 HydrophobicContact CG-CD2 4.48Å; K26-F29 HydrophobicContact CG-CE2 3.81Å; K26-F29 HydrophobicContact CG-CZ 4.3Å; K26-F29 PolarHBondContact N-O 3.11Å; K26-F29 PolarHBondContact O-N 3.41Å; K26-F31 HydrophobicContact CD-CE2 4.43Å
27T82.8Confident92.1Very high142 Ų14249.5 Ų49.587%0.87126%0.259SS*.SBendtrans-46.1-42-171.9-30.20000113.7
28D83Confident92.2Very high138 Ų13848.7 Ų48.774%0.73826%0.256SS*.SBendtrans-121.5-4-173.1-49.3-40.6000114.1K26K26-D28 PolarHBondContact O-N 2.93Å
29F86.9Confident91.8Very high66 Ų6651.7 Ų51.729%0.28929%0.287SS..  trans-157.9160.1-174.154.7-97.5000113.2K26 F31 R48K26-F29 WeakPolarHBondContact CA-O 3.26Å; K26-F29 HydrophobicContact CB-CD2 4.06Å; K26-F29 HydrophobicContact CB-CE2 3.64Å; K26-F29 HydrophobicContact CB-CZ 3.96Å; K26-F29 HydrophobicContact CD-CE2 3.69Å; K26-F29 HydrophobicContact CD-CZ 3.85Å; K26-F29 HydrophobicContact CG-CD2 4.48Å; K26-F29 HydrophobicContact CG-CE2 3.81Å; K26-F29 HydrophobicContact CG-CZ 4.3Å; K26-F29 PolarHBondContact N-O 3.11Å; K26-F29 PolarHBondContact O-N 3.41Å; F29-F31 HydrophobicContact CD2-CD2 4.1Å; F29-F31 AromaticContact CD2-CE2 3.85Å; F29-F31 HydrophobicContact CD2-CE2 3.85Å; F29-F31 HydrophobicContact CD2-CZ 4.1Å; F29-F31 AromaticContact CE2-CD2 3.81Å; F29-F31 HydrophobicContact CE2-CD2 3.81Å; F29-F31 AromaticContact CE2-CE2 3.21Å; F29-F31 HydrophobicContact CE2-CE2 3.21Å; F29-F31 AromaticContact CE2-CZ 3.62Å; F29-F31 HydrophobicContact CE2-CZ 3.62Å; F29-F31 HydrophobicContact CZ-CE2 4.18Å; F29-F31 HydrophobicContact CZ-CZ 4.44Å; F29-R48 HydrophobicContact CD2-CG 4.44Å
30T91.4Very high91.5Very high12 Ų1258.3 Ų58.37%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-114.7129.9178.2-38.30000110.1Y23 T24 V25 R48 Q77 L82Y23-T30 HydrophobicContact CD2-CG2 3.98Å; Y23-T30 HydrophobicContact CG-CG2 4.27Å; T24-T30 WeakPolarHBondContact O-CA 3.44Å; V25-T30 HydrophobicContact CG2-CG2 4.14Å; T30-R48 WeakPolarHBondContact O-CA 3.47Å; T30-Q77 PolarHBondContact OG1-NE2 2.98Å; T30-Q77 PolarHBondContact OG1-OE1 3.45Å; T30-L82 HydrophobicContact CG2-CD1 4.12Å; T30-L82 HydrophobicContact CG2-CD2 3.96Å
31F95.2Very high91.2Very high45 Ų4559.7 Ų59.720%0.19732%0.315CS..EExtended strand (participates in β ladder)trans-94.7139.7167.4-73.4-65.7000110.3Y23 T24 K26 F29 D46 R48Y23-F31 CarbonylContact C-O 3.58Å; Y23-F31 WeakPolarHBondContact CA-O 3.36Å; Y23-F31 VanDerWaalsContact CB-O 3.32Å; Y23-F31 WeakPolarHBondContact CB-O 3.39Å; T24-F31 PolarHBondContact N-O 3.11Å; T24-F31 PolarHBondContact O-N 3.48Å; K26-F31 HydrophobicContact CD-CE2 4.43Å; F29-F31 HydrophobicContact CD2-CD2 4.1Å; F29-F31 AromaticContact CD2-CE2 3.85Å; F29-F31 HydrophobicContact CD2-CE2 3.85Å; F29-F31 HydrophobicContact CD2-CZ 4.1Å; F29-F31 AromaticContact CE2-CD2 3.81Å; F29-F31 HydrophobicContact CE2-CD2 3.81Å; F29-F31 AromaticContact CE2-CE2 3.21Å; F29-F31 HydrophobicContact CE2-CE2 3.21Å; F29-F31 AromaticContact CE2-CZ 3.62Å; F29-F31 HydrophobicContact CE2-CZ 3.62Å; F29-F31 HydrophobicContact CZ-CE2 4.18Å; F29-F31 HydrophobicContact CZ-CZ 4.44Å; F31-D46 HydrophobicContact CB-CB 4.3Å; F31-D46 HydrophobicContact CD1-CB 4.04Å; F31-D46 HydrophobicContact CG-CB 4.28Å; F31-R48 HydrophobicContact CD1-CG 3.46Å; F31-R48 VanDerWaalsContact CD1-CG 3.46Å; F31-R48 HydrophobicContact CE1-CG 3.42Å; F31-R48 VanDerWaalsContact CE1-CG 3.42Å; F31-R48 HydrophobicContact CG-CG 4.33Å; F31-R48 HydrophobicContact CZ-CG 4.29Å
32Y97.2Very high91.1Very high6 Ų656.3 Ų56.32%0.02430%0.301CS..EExtended strand (participates in β ladder)trans-104.8123.2167.2-63.4-88.6000107.9I20 I34 R47 L82 R85 R86 L89I20-Y32 HydrophobicContact CG2-CD1 4.32Å; Y32-I34 PolarHBondContact O-N 3.12Å; Y32-R47 PolarHBondContact N-O 3.11Å; Y32-R47 PolarHBondContact O-N 3.36Å; Y32-L82 WeakPolarHBondContact OH-CD2 3.38Å; Y32-R85 HydrophobicContact CE1-CB 4.5Å; Y32-R85 HydrophobicContact CE1-CG 4.23Å; Y32-R85 WeakPolarHBondContact OH-CG 3.5Å; Y32-R86 HydrophobicContact CD1-CB 4.12Å; Y32-R86 HydrophobicContact CD1-CG 4.27Å; Y32-R86 HydrophobicContact CE1-CB 4.04Å; Y32-L89 HydrophobicContact CD1-CD1 4.27Å; Y32-L89 HydrophobicContact CD2-CD1 3.93Å; Y32-L89 HydrophobicContact CE1-CD1 4.23Å; Y32-L89 HydrophobicContact CE2-CD1 3.91Å; Y32-L89 HydrophobicContact CG-CD1 4.12Å
33T97.6Very high91.1Very high24 Ų2455.4 Ų55.415%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-89.8104.2-179.2-56.30000109.1I20 K21 G22 T44 D46I20-T33 CarbonylContact C-O 3.43Å; I20-T33 WeakPolarHBondContact CA-O 3.21Å; K21-T33 PolarHBondContact N-O 3.39Å; G22-T33 PolarHBondContact O-N 3.49Å; T33-T44 HydrophobicContact CG2-CG2 4.29Å; T33-D46 VanDerWaalsContact CA-OD1 3.3Å; T33-D46 WeakPolarHBondContact CA-OD1 3.41Å; T33-D46 VanDerWaalsContact CB-OD1 3.27Å; T33-D46 WeakPolarHBondContact CB-OD1 3.45Å; T33-D46 WeakPolarHBondContact CG2-OD1 3.36Å; T33-D46 PolarHBondContact OG1-OD1 2.94Å
34I97.4Very high91.2Very high0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-82.4131.1175.1-51.6164.5000107.6I18 H19 I20 Y32 V36 T44 V45 R47 F52 L93 F119 L120I18-I34 HydrophobicContact CG2-CG2 3.75Å; H19-I34 CarbonylContact O-C 3.57Å; I20-I34 HydrophobicContact CG1-CG1 4.25Å; Y32-I34 PolarHBondContact O-N 3.12Å; I34-V36 HydrophobicContact CG2-CG2 4.16Å; I34-T44 CarbonylContact O-C 3.58Å; I34-T44 WeakPolarHBondContact O-CA 3.35Å; I34-V45 HydrophobicContact CB-CB 4.35Å; I34-V45 WeakPolarHBondContact CB-O 3.13Å; I34-V45 PolarHBondContact N-O 3.41Å; I34-V45 PolarHBondContact O-N 3.37Å; I34-R47 HydrophobicContact CD1-CB 4.13Å; I34-R47 HydrophobicContact CD1-CG 3.74Å; I34-F52 HydrophobicContact CD1-CE1 4.48Å; I34-F52 HydrophobicContact CD1-CE2 4.34Å; I34-F52 HydrophobicContact CD1-CZ 3.73Å; I34-F52 HydrophobicContact CG1-CZ 4.2Å; I34-L93 HydrophobicContact CD1-CD2 3.91Å; I34-L93 HydrophobicContact CG1-CD2 4.29Å; I34-L93 HydrophobicContact CG2-CD2 3.95Å; I34-F119 HydrophobicContact CD1-CE1 4.03Å; I34-F119 HydrophobicContact CD1-CZ 4.47Å; I34-L120 HydrophobicContact CD1-CD2 4.45Å; I34-L120 HydrophobicContact CG2-CD2 4.21Å
35V96.1Very high91.3Very high2 Ų251.2 Ų51.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-102.8127.6169177.60000107.1I18 H19 K21 E42 T44I18-V35 WeakPolarHBondContact CA-O 3.36Å; H19-V35 PolarHBondContact N-O 3.45Å; H19-V35 WeakPolarHBondContact NE2-CB 3.19Å; H19-V35 WeakPolarHBondContact NE2-CG2 3.4Å; H19-V35 PolarHBondContact O-N 3.32Å; K21-V35 HydrophobicContact CB-CG2 3.84Å; K21-V35 HydrophobicContact CD-CG2 4.24Å; V35-E42 HydrophobicContact CG1-CG 3.52Å; V35-T44 HydrophobicContact CG2-CG2 4.11Å
36V94.7Very high91.6Very high0 Ų051 Ų510%027%0.269CS..EExtended strand (participates in β ladder)trans-114.7124.8175.3-175.20000107.9F17 I34 V38 E42 W43 V45 L120 F122F17-V36 CarbonylContact O-C 3.54Å; F17-V36 WeakPolarHBondContact O-CA 3.28Å; I34-V36 HydrophobicContact CG2-CG2 4.16Å; V36-V38 HydrophobicContact CG1-CG2 4.34Å; V36-E42 VanDerWaalsContact O-CA 3.25Å; V36-E42 WeakPolarHBondContact O-CA 3.41Å; V36-W43 HydrophobicContact CB-CD2 3.99Å; V36-W43 HydrophobicContact CB-CG 4.42Å; V36-W43 HydrophobicContact CB-CH2 4.4Å; V36-W43 HydrophobicContact CB-CZ2 3.8Å; V36-W43 HydrophobicContact CG1-CD2 4.34Å; V36-W43 HydrophobicContact CG1-CH2 3.7Å; V36-W43 HydrophobicContact CG1-CZ2 3.33Å; V36-W43 HydrophobicContact CG1-CZ3 4.34Å; V36-W43 HydrophobicContact CG2-CZ2 4.47Å; V36-W43 PolarHBondContact N-O 2.9Å; V36-W43 PolarHBondContact O-N 3.22Å; V36-V45 HydrophobicContact CG2-CG2 4.5Å; V36-L120 HydrophobicContact CG2-CB 4.43Å; V36-L120 HydrophobicContact CG2-CD2 4.19Å; V36-F122 HydrophobicContact CG1-CE2 3.71Å; V36-F122 HydrophobicContact CG1-CZ 4.03Å
37S91.3Very high92Very high27 Ų2748 Ų4819%0.18925%0.254CS..EExtended strand (participates in β ladder)trans-123.2119.1-176.9-51.30000109.1F17 Y41 E42F17-S37 WeakPolarHBondContact CA-O 3.3Å; F17-S37 VanDerWaalsContact CD1-O 3.27Å; F17-S37 WeakPolarHBondContact CD1-O 3.14Å; F17-S37 PolarHBondContact O-N 3.29Å; S37-Y41 CarbonylContact C-O 3.53Å; S37-Y41 WeakPolarHBondContact CA-O 3.5Å; S37-E42 PolarHBondContact OG-OE2 2.8Å
38V87.1Confident92.6Very high1 Ų145.4 Ų45.41%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-125.9104.7177-176.30000109.1A2 A6 L7 V36 R40 Y41 W43 F122A2-V38 HydrophobicContact CB-CB 3.67Å; A2-V38 HydrophobicContact CB-CG1 3.64Å; A2-V38 HydrophobicContact CB-CG2 4.36Å; A6-V38 HydrophobicContact CB-CG1 4.49Å; L7-V38 HydrophobicContact CD2-CB 4.48Å; L7-V38 HydrophobicContact CD2-CG1 3.95Å; L7-V38 HydrophobicContact CD2-CG2 3.97Å; V36-V38 HydrophobicContact CG1-CG2 4.34Å; V38-R40 PolarHBondContact O-N 3.38Å; V38-Y41 PolarHBondContact N-O 2.88Å; V38-Y41 PolarHBondContact O-N 3.45Å; V38-W43 HydrophobicContact CB-CH2 4.5Å; V38-W43 HydrophobicContact CB-CZ3 4.38Å; V38-W43 HydrophobicContact CG2-CH2 3.71Å; V38-W43 HydrophobicContact CG2-CZ3 4.02Å; V38-F122 HydrophobicContact CG2-CE1 4.21Å; V38-F122 HydrophobicContact CG2-CZ 4.01Å
39G83.1Confident93.1Very high64 Ų6440.5 Ų40.566%0.6620%0.2SC*.THydrogen-bonded Turntrans58.3-122.8-169.300000110.9Y41G39-Y41 VanDerWaalsContact C-N 3.35Å
40R85.5Confident93.5Very high195 Ų19539.6 Ų39.674%0.73620%0.202SC*.THydrogen-bonded Turntrans-86-3.1177.268.8-180-179.7-177.3-2.1114.6V38 N204V38-R40 PolarHBondContact O-N 3.38Å; R40-N204 PolarHBondContact O-ND2 3.13Å
41Y89.3Confident93.7Very high28 Ų2841.2 Ų41.211%0.1121%0.21CC..EExtended strand (participates in β ladder)trans-99.8137.1-174.5-57.9-74.9000110A2 S37 V38 G39 N204 I205A2-Y41 HydrophobicContact CB-CD2 4.49Å; S37-Y41 CarbonylContact C-O 3.53Å; S37-Y41 WeakPolarHBondContact CA-O 3.5Å; V38-Y41 PolarHBondContact N-O 2.88Å; V38-Y41 PolarHBondContact O-N 3.45Å; G39-Y41 VanDerWaalsContact C-N 3.35Å; Y41-N204 VanDerWaalsContact CA-OD1 3.31Å; Y41-N204 WeakPolarHBondContact CA-OD1 3.36Å; Y41-I205 HydrophobicContact CD1-CG1 3.68Å; Y41-I205 HydrophobicContact CE1-CG1 4.31Å; Y41-I205 HydrophobicContact CG-CG1 4.35Å
42E92.5Very high93.7Very high86 Ų8639.1 Ų39.140%0.40220%0.201SC..EExtended strand (participates in β ladder)trans-138.4142.9-178.5-176.1176.9108.200109.7V35 V36 S37 S203 N204V35-E42 HydrophobicContact CG1-CG 3.52Å; V36-E42 VanDerWaalsContact O-CA 3.25Å; V36-E42 WeakPolarHBondContact O-CA 3.41Å; S37-E42 PolarHBondContact OG-OE2 2.8Å; E42-S203 CarbonylContact O-C 3.57Å; E42-S203 WeakPolarHBondContact O-CA 3.24Å; E42-S203 WeakPolarHBondContact O-CB 3.2Å; E42-N204 PolarHBondContact N-ND2 3.18Å; E42-N204 PolarHBondContact N-OD1 3.25Å; E42-N204 PolarHBondContact O-N 3.34Å; E42-N204 PolarHBondContact O-OD1 3.14Å
43W95.3Very high93.5Very high1 Ų139.7 Ų39.70%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-143.2164.6168.964.195.5000111.1A2 V36 V38 L120 F122 Y125A2-W43 HydrophobicContact CB-CZ3 4.25Å; V36-W43 HydrophobicContact CB-CD2 3.99Å; V36-W43 HydrophobicContact CB-CG 4.42Å; V36-W43 HydrophobicContact CB-CH2 4.4Å; V36-W43 HydrophobicContact CB-CZ2 3.8Å; V36-W43 HydrophobicContact CG1-CD2 4.34Å; V36-W43 HydrophobicContact CG1-CH2 3.7Å; V36-W43 HydrophobicContact CG1-CZ2 3.33Å; V36-W43 HydrophobicContact CG1-CZ3 4.34Å; V36-W43 HydrophobicContact CG2-CZ2 4.47Å; V36-W43 PolarHBondContact N-O 2.9Å; V36-W43 PolarHBondContact O-N 3.22Å; V38-W43 HydrophobicContact CB-CH2 4.5Å; V38-W43 HydrophobicContact CB-CZ3 4.38Å; V38-W43 HydrophobicContact CG2-CH2 3.71Å; V38-W43 HydrophobicContact CG2-CZ3 4.02Å; W43-L120 PolarHBondContact NE1-O 3.44Å; W43-F122 HydrophobicContact CH2-CD2 4.42Å; W43-F122 HydrophobicContact CH2-CE1 4.28Å; W43-F122 HydrophobicContact CH2-CE2 4.21Å; W43-F122 HydrophobicContact CH2-CZ 4.12Å; W43-F122 AromaticContact CZ2-CD2 3.72Å; W43-F122 HydrophobicContact CZ2-CD2 3.72Å; W43-F122 HydrophobicContact CZ2-CE1 4.49Å; W43-F122 AromaticContact CZ2-CE2 3.72Å; W43-F122 HydrophobicContact CZ2-CE2 3.72Å; W43-F122 HydrophobicContact CZ2-CG 4.13Å; W43-F122 HydrophobicContact CZ2-CZ 4.1Å; W43-Y125 HydrophobicContact CB-CD2 4Å; W43-Y125 HydrophobicContact CB-CE2 3.81Å; W43-Y125 AromaticContact CD1-CD2 3.49Å; W43-Y125 VanDerWaalsContact CD1-CD2 3.49Å; W43-Y125 AromaticContact CD1-CE2 3.43Å; W43-Y125 VanDerWaalsContact CD1-CE2 3.43Å; W43-Y125 AromaticContact CD2-CD2 3.49Å; W43-Y125 HydrophobicContact CD2-CD2 3.49Å; W43-Y125 VanDerWaalsContact CD2-CD2 3.49Å; W43-Y125 HydrophobicContact CD2-CE2 4.14Å; W43-Y125 HydrophobicContact CD2-CG 4.04Å; W43-Y125 AromaticContact CE2-CD2 3.6Å; W43-Y125 HydrophobicContact CE3-CD2 4.16Å; W43-Y125 HydrophobicContact CE3-CG 4.26Å; W43-Y125 AromaticContact CG-CD2 3.41Å; W43-Y125 HydrophobicContact CG-CD2 3.41Å; W43-Y125 VanDerWaalsContact CG-CD2 3.41Å; W43-Y125 AromaticContact CG-CE2 3.53Å; W43-Y125 HydrophobicContact CG-CE2 3.53Å; W43-Y125 HydrophobicContact CG-CG 4.21Å; W43-Y125 HydrophobicContact CZ2-CD2 4.32Å; W43-Y125 AromaticContact NE1-CD2 3.6Å; W43-Y125 AromaticContact NE1-CE2 3.93Å
44T96.4Very high93.3Very high48 Ų4840.8 Ų40.829%0.29422%0.216SC..EExtended strand (participates in β ladder)trans-116.8140.9177.567.10000112.1T33 I34 V35 S202T33-T44 HydrophobicContact CG2-CG2 4.29Å; I34-T44 CarbonylContact O-C 3.58Å; I34-T44 WeakPolarHBondContact O-CA 3.35Å; V35-T44 HydrophobicContact CG2-CG2 4.11Å; T44-S202 PolarHBondContact N-OG 3.34Å; T44-S202 WeakPolarHBondContact O-CB 3.39Å; T44-S202 PolarHBondContact O-OG 2.88Å; T44-S202 WeakPolarHBondContact OG1-CB 3.11Å
45V96.2Very high93.1Very high1 Ų141.5 Ų41.51%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-126.7122178.9-173.10000108.8I34 V36 R47 D121I34-V45 HydrophobicContact CB-CB 4.35Å; I34-V45 WeakPolarHBondContact CB-O 3.13Å; I34-V45 PolarHBondContact N-O 3.41Å; I34-V45 PolarHBondContact O-N 3.37Å; V36-V45 HydrophobicContact CG2-CG2 4.5Å; V45-R47 HydrophobicContact CG1-CG 4.03Å; V45-R47 VanDerWaalsContact CG1-NH1 3.34Å; V45-D121 HydrophobicContact CG2-CB 3.89Å
46D96.5Very high92.9Very high73 Ų7342 Ų4239%0.3922%0.221SC..EExtended strand (participates in β ladder)trans-90.9125.4173.2-73.3-25.8000109.9F31 T33F31-D46 HydrophobicContact CB-CB 4.3Å; F31-D46 HydrophobicContact CD1-CB 4.04Å; F31-D46 HydrophobicContact CG-CB 4.28Å; T33-D46 VanDerWaalsContact CA-OD1 3.3Å; T33-D46 WeakPolarHBondContact CA-OD1 3.41Å; T33-D46 VanDerWaalsContact CB-OD1 3.27Å; T33-D46 WeakPolarHBondContact CB-OD1 3.45Å; T33-D46 WeakPolarHBondContact CG2-OD1 3.36Å; T33-D46 PolarHBondContact OG1-OD1 2.94Å
47R97.1Very high92.6Very high48 Ų4848.8 Ų48.818%0.18125%0.247CC..EExtended strand (participates in β ladder)trans-132.2139.2175.9-63.6-64.6-179.9-115.55.8110.2Y32 I34 V45 D51 F52 L118 F119 D121Y32-R47 PolarHBondContact N-O 3.11Å; Y32-R47 PolarHBondContact O-N 3.36Å; I34-R47 HydrophobicContact CD1-CB 4.13Å; I34-R47 HydrophobicContact CD1-CG 3.74Å; V45-R47 HydrophobicContact CG1-CG 4.03Å; V45-R47 VanDerWaalsContact CG1-NH1 3.34Å; R47-D51 HydrophobicContact CB-CB 4.42Å; R47-F52 HydrophobicContact CB-CD2 4.03Å; R47-F52 HydrophobicContact CB-CE2 3.63Å; R47-F52 HydrophobicContact CB-CZ 4.41Å; R47-L118 PolarHBondContact NH2-O 3.4Å; R47-F119 HydrophobicContact CB-CE2 4.41Å; R47-F119 HydrophobicContact CB-CZ 4.11Å; R47-F119 HydrophobicContact CG-CE1 4.32Å; R47-F119 HydrophobicContact CG-CE2 3.93Å; R47-F119 HydrophobicContact CG-CZ 3.76Å; R47-F119 VanDerWaalsContact CZ-O 3.27Å; R47-F119 PolarHBondContact NE-O 2.78Å; R47-F119 PolarHBondContact NH2-O 3.2Å; R47-D121 IonicContact CZ-OD1 3.86Å; R47-D121 IonicContact NH2-OD1 3.62Å; R47-D121 PolarHBondContact NH2-OD1 2.82Å; R47-D121 IonicContact NH2-OD2 3.49Å
48R95.3Very high92.4Very high89 Ų8950.1 Ų50.134%0.33626%0.26SS..EExtended strand (participates in β ladder)trans-85.7160.1169.6-58.2174.4-63.1170.35.1109.1F29 T30 F31 S50 D51 F52F29-R48 HydrophobicContact CD2-CG 4.44Å; T30-R48 WeakPolarHBondContact O-CA 3.47Å; F31-R48 HydrophobicContact CD1-CG 3.46Å; F31-R48 VanDerWaalsContact CD1-CG 3.46Å; F31-R48 HydrophobicContact CE1-CG 3.42Å; F31-R48 VanDerWaalsContact CE1-CG 3.42Å; F31-R48 HydrophobicContact CG-CG 4.33Å; F31-R48 HydrophobicContact CZ-CG 4.29Å; R48-S50 PolarHBondContact O-N 3.3Å; R48-S50 VanDerWaalsContact O-N 3.16Å; R48-D51 WeakPolarHBondContact CB-OD2 3.34Å; R48-D51 IonicContact CZ-OD1 3.98Å; R48-D51 PolarHBondContact N-OD2 3.08Å; R48-D51 IonicContact NE-OD1 3.16Å; R48-D51 IonicContact NE-OD2 3.28Å; R48-D51 PolarHBondContact NE-OD2 3.03Å; R48-D51 IonicContact NH2-OD1 2.82Å; R48-D51 PolarHBondContact NH2-OD1 2.97Å; R48-D51 WeakPolarHBondContact O-CA 3.37Å; R48-D51 WeakPolarHBondContact O-CB 3.48Å; R48-D51 PolarHBondContact O-N 3.47Å; R48-F52 WeakPolarHBondContact O-CD2 3.49Å; R48-F52 PolarHBondContact O-N 3.35Å
49Y93.9Very high92.1Very high34 Ų3453 Ų5313%0.13327%0.27CS..Hα-helixtrans-53.9-36.8173.2177.9-86000112.7D51 F52 D53 F68 P69 K71 R85 L89Y49-D51 PolarHBondContact O-N 3.41Å; Y49-F52 WeakPolarHBondContact O-CB 3.25Å; Y49-F52 PolarHBondContact O-N 3.33Å; Y49-D53 HydrophobicContact CE1-CB 4.03Å; Y49-D53 WeakPolarHBondContact O-CB 3.39Å; Y49-D53 PolarHBondContact O-N 3.38Å; Y49-F68 HydrophobicContact CE2-CE1 4.23Å; Y49-F68 AromaticContact CE2-CZ 3.79Å; Y49-F68 HydrophobicContact CE2-CZ 3.79Å; Y49-F68 AromaticContact CZ-CE1 3.81Å; Y49-F68 AromaticContact CZ-CZ 3.79Å; Y49-F68 WeakPolarHBondContact OH-CE1 3.46Å; Y49-P69 PolarHBondContact OH-O 3.35Å; Y49-K71 HydrophobicContact CD1-CG 4.25Å; Y49-K71 HydrophobicContact CE1-CB 4.45Å; Y49-K71 HydrophobicContact CE1-CD 4.13Å; Y49-K71 HydrophobicContact CE1-CG 3.28Å; Y49-K71 PolarHBondContact OH-N 3.49Å; Y49-K71 VanDerWaalsContact OH-N 3.17Å; Y49-R85 VanDerWaalsContact CD2-NH1 3.29Å; Y49-L89 HydrophobicContact CD2-CD1 4.34Å; Y49-L89 HydrophobicContact CD2-CD2 4.21Å; Y49-L89 HydrophobicContact CE2-CD2 4.33Å
50S93.7Very high91.1Very high48 Ų4854.4 Ų54.434%0.33626%0.26SS..Hα-helixtrans-58.7-33175.254.70000113.2R48 A54R48-S50 PolarHBondContact O-N 3.3Å; R48-S50 VanDerWaalsContact O-N 3.16Å; S50-A54 WeakPolarHBondContact O-CB 3.26Å; S50-A54 PolarHBondContact O-N 3Å
51D95.9Very high89.8Confident46 Ų4654.7 Ų54.725%0.24627%0.266CS..Hα-helixtrans-77.1-38.7-178.1-46.7-31.7000109.5R47 R48 Y49 A54 F55 F119R47-D51 HydrophobicContact CB-CB 4.42Å; R48-D51 WeakPolarHBondContact CB-OD2 3.34Å; R48-D51 IonicContact CZ-OD1 3.98Å; R48-D51 PolarHBondContact N-OD2 3.08Å; R48-D51 IonicContact NE-OD1 3.16Å; R48-D51 IonicContact NE-OD2 3.28Å; R48-D51 PolarHBondContact NE-OD2 3.03Å; R48-D51 IonicContact NH2-OD1 2.82Å; R48-D51 PolarHBondContact NH2-OD1 2.97Å; R48-D51 WeakPolarHBondContact O-CA 3.37Å; R48-D51 WeakPolarHBondContact O-CB 3.48Å; R48-D51 PolarHBondContact O-N 3.47Å; Y49-D51 PolarHBondContact O-N 3.41Å; D51-A54 PolarHBondContact O-N 2.99Å; D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.18Å; D51-F119 HydrophobicContact CB-CE2 4.45Å
52F95.1Very high88.2Confident0 Ų059 Ų590%029%0.291CS..Hα-helixtrans-60.4-44.3169.1-79.2-91.4000112.3I20 I34 R47 R48 Y49 F55 N56 F68 L89 Y92 L93 F119I20-F52 HydrophobicContact CD1-CZ 4.04Å; I34-F52 HydrophobicContact CD1-CE1 4.48Å; I34-F52 HydrophobicContact CD1-CE2 4.34Å; I34-F52 HydrophobicContact CD1-CZ 3.73Å; I34-F52 HydrophobicContact CG1-CZ 4.2Å; R47-F52 HydrophobicContact CB-CD2 4.03Å; R47-F52 HydrophobicContact CB-CE2 3.63Å; R47-F52 HydrophobicContact CB-CZ 4.41Å; R48-F52 WeakPolarHBondContact O-CD2 3.49Å; R48-F52 PolarHBondContact O-N 3.35Å; Y49-F52 WeakPolarHBondContact O-CB 3.25Å; Y49-F52 PolarHBondContact O-N 3.33Å; F52-F55 PolarHBondContact O-N 2.96Å; F52-N56 VanDerWaalsContact O-CB 3.32Å; F52-N56 WeakPolarHBondContact O-CB 3.16Å; F52-N56 PolarHBondContact O-N 3.37Å; F52-F68 HydrophobicContact CB-CE2 3.86Å; F52-F68 HydrophobicContact CB-CZ 3.97Å; F52-L89 HydrophobicContact CB-CD2 4.16Å; F52-L89 HydrophobicContact CD1-CD2 3.86Å; F52-L89 HydrophobicContact CD2-CD1 4.15Å; F52-L89 HydrophobicContact CD2-CD2 4.37Å; F52-L89 HydrophobicContact CE1-CB 4.22Å; F52-L89 HydrophobicContact CE1-CD2 4.29Å; F52-L89 HydrophobicContact CE2-CD1 4.1Å; F52-L89 HydrophobicContact CG-CD1 4.5Å; F52-L89 HydrophobicContact CG-CD2 3.9Å; F52-L89 HydrophobicContact CZ-CB 4.34Å; F52-L89 HydrophobicContact CZ-CD1 4.4Å; F52-Y92 HydrophobicContact CD1-CE1 4.47Å; F52-L93 HydrophobicContact CE1-CB 4.46Å; F52-L93 HydrophobicContact CE1-CD2 4.11Å; F52-L93 HydrophobicContact CZ-CD2 4.46Å; F52-F119 HydrophobicContact CB-CZ 4.43Å; F52-F119 HydrophobicContact CD1-CE1 4.01Å; F52-F119 AromaticContact CD1-CZ 3.56Å; F52-F119 HydrophobicContact CD1-CZ 3.56Å; F52-F119 AromaticContact CD2-CZ 3.97Å; F52-F119 HydrophobicContact CD2-CZ 3.97Å; F52-F119 AromaticContact CE1-CE1 3.81Å; F52-F119 HydrophobicContact CE1-CE1 3.81Å; F52-F119 AromaticContact CE1-CZ 3.7Å; F52-F119 HydrophobicContact CE1-CZ 3.7Å; F52-F119 HydrophobicContact CE2-CZ 4.09Å; F52-F119 HydrophobicContact CG-CE2 4.47Å; F52-F119 AromaticContact CG-CZ 3.7Å; F52-F119 HydrophobicContact CG-CZ 3.7Å; F52-F119 HydrophobicContact CZ-CE1 4.21Å; F52-F119 AromaticContact CZ-CZ 3.97Å; F52-F119 HydrophobicContact CZ-CZ 3.97Å
53D92.9Very high86.4Confident18 Ų1864.8 Ų64.810%0.09632%0.315CS..Hα-helixtrans-64.3-41.2178.3176.254.4000111.7Y49 R57 F68 K71Y49-D53 HydrophobicContact CE1-CB 4.03Å; Y49-D53 WeakPolarHBondContact O-CB 3.39Å; Y49-D53 PolarHBondContact O-N 3.38Å; D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 3.42Å; D53-R57 IonicContact OD1-CZ 3.34Å; D53-R57 IonicContact OD1-NH1 3.19Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 IonicContact OD2-CZ 3.01Å; D53-R57 VanDerWaalsContact OD2-CZ 3.28Å; D53-R57 IonicContact OD2-NH1 3.27Å; D53-R57 PolarHBondContact OD2-NH1 3.17Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.28Å; D53-R57 VanDerWaalsContact OD2-NH2 3.16Å; D53-F68 HydrophobicContact CB-CE1 3.92Å; D53-F68 HydrophobicContact CB-CZ 3.97Å; D53-K71 WeakPolarHBondContact OD2-CE 3.42Å; D53-K71 IonicContact OD2-NZ 2.69Å; D53-K71 PolarHBondContact OD2-NZ 3.11Å
54A93.8Very high84.9Confident47 Ų4773.6 Ų73.639%0.38836%0.356SS..Hα-helixtrans-64.8-44.8173.300000112S50 D51 R57 A58S50-A54 WeakPolarHBondContact O-CB 3.26Å; S50-A54 PolarHBondContact O-N 3Å; D51-A54 PolarHBondContact O-N 2.99Å; A54-R57 PolarHBondContact O-N 3.01Å; A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.12Å
55F93.4Very high83.7Confident16 Ų1673.5 Ų73.57%0.0737%0.365CS..Hα-helixtrans-58.9-48.2175.5169.5-106.8000111.8D51 F52 R57 A58 R59 I96 Q115 L116 F119D51-F55 WeakPolarHBondContact O-CB 3.35Å; D51-F55 PolarHBondContact O-N 3.18Å; F52-F55 PolarHBondContact O-N 2.96Å; F55-R57 PolarHBondContact O-N 3.19Å; F55-A58 PolarHBondContact O-N 3.02Å; F55-R59 PolarHBondContact O-N 3.33Å; F55-R59 VanDerWaalsContact O-N 3.11Å; F55-I96 HydrophobicContact CE1-CD1 4.04Å; F55-I96 HydrophobicContact CE1-CG2 4.33Å; F55-I96 HydrophobicContact CZ-CG2 4.22Å; F55-Q115 HydrophobicContact CE2-CB 4.17Å; F55-L116 HydrophobicContact CE2-CB 4.31Å; F55-L116 HydrophobicContact CE2-CD1 4.43Å; F55-L116 HydrophobicContact CZ-CB 4.26Å; F55-L116 HydrophobicContact CZ-CD1 3.83Å; F55-F119 HydrophobicContact CB-CD2 3.62Å; F55-F119 HydrophobicContact CB-CE2 3.81Å; F55-F119 HydrophobicContact CB-CG 4.27Å; F55-F119 HydrophobicContact CD1-CD1 4.41Å; F55-F119 HydrophobicContact CD1-CD2 4.41Å; F55-F119 HydrophobicContact CD1-CG 4.32Å; F55-F119 HydrophobicContact CD2-CB 3.78Å; F55-F119 HydrophobicContact CD2-CD2 4.06Å; F55-F119 AromaticContact CD2-CG 3.92Å; F55-F119 HydrophobicContact CD2-CG 3.92Å; F55-F119 HydrophobicContact CE2-CB 4Å; F55-F119 HydrophobicContact CE2-CG 4.38Å; F55-F119 HydrophobicContact CG-CB 4.28Å; F55-F119 HydrophobicContact CG-CD1 4.43Å; F55-F119 AromaticContact CG-CD2 3.77Å; F55-F119 HydrophobicContact CG-CD2 3.77Å; F55-F119 HydrophobicContact CG-CE2 4.21Å; F55-F119 AromaticContact CG-CG 3.89Å; F55-F119 HydrophobicContact CG-CG 3.89Å
56N91.5Very high83Confident11 Ų1175.2 Ų75.26%0.05938%0.376CS..Hα-helixtrans-58.3-46.9177.2-175.458.5000111.8F52 A58 R59 H60 F68 Y92F52-N56 VanDerWaalsContact O-CB 3.32Å; F52-N56 WeakPolarHBondContact O-CB 3.16Å; F52-N56 PolarHBondContact O-N 3.37Å; N56-A58 VanDerWaalsContact C-N 3.34Å; N56-A58 PolarHBondContact O-N 3.38Å; N56-R59 PolarHBondContact O-N 3.26Å; N56-H60 VanDerWaalsContact CG-CD2 3.48Å; N56-H60 VanDerWaalsContact CG-NE2 3.28Å; N56-H60 PolarHBondContact ND2-CD2 2.9Å; N56-H60 PolarHBondContact ND2-NE2 3.49Å; N56-H60 PolarHBondContact O-CD2 3.28Å; N56-H60 PolarHBondContact O-N 3Å; N56-H60 VanDerWaalsContact O-N 3.16Å; N56-H60 PolarHBondContact OD1-CD2 3.11Å; N56-H60 PolarHBondContact OD1-NE2 3.11Å; N56-F68 HydrophobicContact CB-CD1 4.23Å; N56-F68 HydrophobicContact CB-CD2 4.03Å; N56-F68 HydrophobicContact CB-CE1 4.46Å; N56-F68 HydrophobicContact CB-CE2 4.32Å; N56-F68 HydrophobicContact CB-CG 4.01Å; N56-F68 WeakPolarHBondContact ND2-CB 3.11Å; N56-F68 WeakPolarHBondContact ND2-CG 3.4Å; N56-Y92 VanDerWaalsContact CB-OH 3.29Å; N56-Y92 WeakPolarHBondContact CB-OH 3.23Å; N56-Y92 PolarHBondContact OD1-OH 3.21Å
57R89.1Confident82.5Confident143 Ų14379.3 Ų79.354%0.5440%0.396SS..Hα-helixtrans-61.3-39.4176-78.2-165-66.2-97.3-8.8113.2D53 A54 F55 R59 H60D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 3.42Å; D53-R57 IonicContact OD1-CZ 3.34Å; D53-R57 IonicContact OD1-NH1 3.19Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 IonicContact OD2-CZ 3.01Å; D53-R57 VanDerWaalsContact OD2-CZ 3.28Å; D53-R57 IonicContact OD2-NH1 3.27Å; D53-R57 PolarHBondContact OD2-NH1 3.17Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.28Å; D53-R57 VanDerWaalsContact OD2-NH2 3.16Å; A54-R57 PolarHBondContact O-N 3.01Å; F55-R57 PolarHBondContact O-N 3.19Å; R57-R59 VanDerWaalsContact C-N 3.26Å; R57-R59 PolarHBondContact O-N 3.39Å; R57-H60 PolarHBondContact O-N 3.3Å
58A87.2Confident82.1Confident56 Ų5678.5 Ų78.546%0.46339%0.394SS..Hα-helixtrans-67.2-29.1179.300000112.7A54 F55 N56 Q115A54-A58 WeakPolarHBondContact O-CB 3.37Å; A54-A58 PolarHBondContact O-N 3.12Å; F55-A58 PolarHBondContact O-N 3.02Å; N56-A58 VanDerWaalsContact C-N 3.34Å; N56-A58 PolarHBondContact O-N 3.38Å; A58-Q115 PolarHBondContact O-NE2 2.71Å; A58-Q115 PolarHBondContact O-OE1 3.16Å
59R80.6Confident81.9Confident60 Ų6074.7 Ų74.723%0.22638%0.381CS..Hα-helixtrans-78.9-31.7177.3-173-169.6167.481.6-0.6113.6F55 N56 R57 K61 D100F55-R59 PolarHBondContact O-N 3.33Å; F55-R59 VanDerWaalsContact O-N 3.11Å; N56-R59 PolarHBondContact O-N 3.26Å; R57-R59 VanDerWaalsContact C-N 3.26Å; R57-R59 PolarHBondContact O-N 3.39Å; R59-K61 PolarHBondContact O-N 2.86Å; R59-D100 IonicContact CZ-OD1 3.23Å; R59-D100 IonicContact CZ-OD2 2.75Å; R59-D100 IonicContact NH1-OD1 2.7Å; R59-D100 PolarHBondContact NH1-OD1 2.98Å; R59-D100 IonicContact NH1-OD2 2.76Å; R59-D100 PolarHBondContact NH1-OD2 3.21Å; R59-D100 IonicContact NH2-OD1 3.42Å; R59-D100 PolarHBondContact NH2-OD1 3.48Å
60H62.9Low81.7Confident95 Ų9577.6 Ų77.644%0.4440%0.404SS..THydrogen-bonded Turntrans-68.432.2-166.7-89.9-47.7000117.8N56 R57N56-H60 VanDerWaalsContact CG-CD2 3.48Å; N56-H60 VanDerWaalsContact CG-NE2 3.28Å; N56-H60 PolarHBondContact ND2-CD2 2.9Å; N56-H60 PolarHBondContact ND2-NE2 3.49Å; N56-H60 PolarHBondContact O-CD2 3.28Å; N56-H60 PolarHBondContact O-N 3Å; N56-H60 VanDerWaalsContact O-N 3.16Å; N56-H60 PolarHBondContact OD1-CD2 3.11Å; N56-H60 PolarHBondContact OD1-NE2 3.11Å; R57-H60 PolarHBondContact O-N 3.3Å
61K58Low81.4Confident200 Ų20081.2 Ų81.287%0.8741%0.413SS*.THydrogen-bonded Turntrans-69.7-24.1158.1-74.1-175177.4179.90111.9R59R59-K61 PolarHBondContact O-N 2.86Å
62D54.4Low80.8Confident118 Ų11884.8 Ų84.863%0.63142%0.423SS*.SBendtrans-106.6122.4175.7-62.7-40.8000111.1E64D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.33Å
63K55.1Low79.8Confident208 Ų20892.4 Ų92.490%0.90446%0.464SS*.SBendtrans-78.5-11.7-173.6-72.9-175.3179.5177.70114.3
64E64.2Low78.9Confident187 Ų18798.4 Ų98.487%0.87449%0.494SS*.  trans-100.2103.7-179.4-65-168.6168.900109.4D62D62-E64 VanDerWaalsContact C-N 3.33Å; D62-E64 PolarHBondContact O-N 3.33Å
65G71.5Confident78Confident46 Ų4697.9 Ų97.947%0.47449%0.493SS..SBendtrans-166.5169.9179.100000113.4
66P80.5Confident77.3Confident37 Ų37100.8 Ų100.824%0.2451%0.509CS..PPolyproline II helixtrans-56.9141.4177.5-22.333.8000111.9F68 Y92 A95 I96P66-F68 PolarHBondContact O-N 3.33Å; P66-Y92 HydrophobicContact CB-CD2 4.23Å; P66-A95 HydrophobicContact CB-CB 3.73Å; P66-A95 HydrophobicContact CG-CB 3.42Å; P66-A95 VanDerWaalsContact CG-CB 3.42Å; P66-I96 HydrophobicContact CG-CG1 3.95Å
67I85.7Confident76.8Confident158 Ų158103.7 Ų103.781%0.8152%0.523SS*.PPolyproline II helixtrans-66.2122-177.2-60.5172.6000110.1
68F90.3Very high76.6Confident31 Ų31100.4 Ų100.414%0.13652%0.515CS..PPolyproline II helixtrans-77130.9175.8-175.6-118.7000111.4Y49 F52 D53 N56 P66 L89 Y92Y49-F68 HydrophobicContact CE2-CE1 4.23Å; Y49-F68 AromaticContact CE2-CZ 3.79Å; Y49-F68 HydrophobicContact CE2-CZ 3.79Å; Y49-F68 AromaticContact CZ-CE1 3.81Å; Y49-F68 AromaticContact CZ-CZ 3.79Å; Y49-F68 WeakPolarHBondContact OH-CE1 3.46Å; F52-F68 HydrophobicContact CB-CE2 3.86Å; F52-F68 HydrophobicContact CB-CZ 3.97Å; D53-F68 HydrophobicContact CB-CE1 3.92Å; D53-F68 HydrophobicContact CB-CZ 3.97Å; N56-F68 HydrophobicContact CB-CD1 4.23Å; N56-F68 HydrophobicContact CB-CD2 4.03Å; N56-F68 HydrophobicContact CB-CE1 4.46Å; N56-F68 HydrophobicContact CB-CE2 4.32Å; N56-F68 HydrophobicContact CB-CG 4.01Å; N56-F68 WeakPolarHBondContact ND2-CB 3.11Å; N56-F68 WeakPolarHBondContact ND2-CG 3.4Å; P66-F68 PolarHBondContact O-N 3.33Å; F68-L89 HydrophobicContact CE2-CD2 4.02Å; F68-Y92 HydrophobicContact CB-CD2 4.25Å; F68-Y92 HydrophobicContact CB-CE2 3.89Å; F68-Y92 HydrophobicContact CD2-CD1 4.02Å; F68-Y92 HydrophobicContact CD2-CD2 4.04Å; F68-Y92 AromaticContact CD2-CE1 3.73Å; F68-Y92 HydrophobicContact CD2-CE1 3.73Å; F68-Y92 AromaticContact CD2-CE2 3.73Å; F68-Y92 HydrophobicContact CD2-CE2 3.73Å; F68-Y92 HydrophobicContact CD2-CG 4.17Å; F68-Y92 AromaticContact CD2-CZ 3.57Å; F68-Y92 HydrophobicContact CE2-CD1 4.39Å; F68-Y92 HydrophobicContact CE2-CE1 4.09Å; F68-Y92 HydrophobicContact CG-CE2 4.27Å
69P90.7Very high76.7Confident9 Ų9101.3 Ų101.36%0.05852%0.518CS..PPolyproline II helixtrans-62.6133.9179.7-23.835.5000111.8Y49 E88 L89Y49-P69 PolarHBondContact OH-O 3.35Å; P69-E88 HydrophobicContact CB-CB 4.01Å; P69-E88 HydrophobicContact CG-CB 3.65Å; P69-L89 HydrophobicContact CG-CD2 4.13Å
70P89.2Confident77Confident95 Ų95105.8 Ų105.862%0.61754%0.541SS*.PPolyproline II helixtrans-74.8159.3-17228.7-35.4000113.7R85P70-R85 PolarHBondContact O-NH1 2.99Å; P70-R85 PolarHBondContact O-NH2 2.83Å
71K87Confident78.4Confident124 Ų124102.2 Ų102.254%0.53953%0.525SS..PPolyproline II helixtrans-66.7140.1172.6-83.6-179.4-176.3170.30111.2Y49 D53Y49-K71 HydrophobicContact CD1-CG 4.25Å; Y49-K71 HydrophobicContact CE1-CB 4.45Å; Y49-K71 HydrophobicContact CE1-CD 4.13Å; Y49-K71 HydrophobicContact CE1-CG 3.28Å; Y49-K71 PolarHBondContact OH-N 3.49Å; Y49-K71 VanDerWaalsContact OH-N 3.17Å; D53-K71 WeakPolarHBondContact OD2-CE 3.42Å; D53-K71 IonicContact OD2-NZ 2.69Å; D53-K71 PolarHBondContact OD2-NZ 3.11Å
72R83.9Confident80Confident121 Ų12192.9 Ų92.946%0.45748%0.484SS..  trans-110.1124.5169.4-169.2177.1176.2166.12109.2I74 F81R72-I74 WeakPolarHBondContact CG-O 3.5Å; R72-I74 PolarHBondContact NE-O 2.86Å; R72-F81 HydrophobicContact CB-CE1 4.05Å; R72-F81 HydrophobicContact CB-CE2 3.75Å; R72-F81 HydrophobicContact CB-CZ 3.35Å; R72-F81 HydrophobicContact CG-CE2 4.12Å; R72-F81 HydrophobicContact CG-CZ 4.06Å
73L74.3Confident81.9Confident161 Ų16190.6 Ų90.684%0.84347%0.472SS*.  trans-90.3-24.2-174-67.7166.5000113.4
74I74.2Confident83.7Confident144 Ų14483.3 Ų83.374%0.73845%0.447SS*.SBendtrans-126.7134.6-176.5-57.8171.6000109.3R72 N76R72-I74 WeakPolarHBondContact CG-O 3.5Å; R72-I74 PolarHBondContact NE-O 2.86Å; I74-N76 VanDerWaalsContact C-N 3.32Å
75G75.4Confident85.1Confident35 Ų3574.9 Ų74.936%0.36141%0.407SS..SBendtrans68.131-177.900000113Q77 D78G75-Q77 PolarHBondContact O-N 3.45Å; G75-D78 WeakPolarHBondContact O-CB 3.34Å; G75-D78 PolarHBondContact O-N 3.33Å
76N77.2Confident86.2Confident77 Ų7775 Ų7541%0.41239%0.393SS..THydrogen-bonded Turntrans-73.8-5.4-176.365.3-15000114.3I74 F81 L82I74-N76 VanDerWaalsContact C-N 3.32Å; N76-F81 HydrophobicContact CB-CE1 4.25Å; N76-L82 WeakPolarHBondContact O-CD2 3.47Å
77Q80.7Confident86.9Confident73 Ų7379.1 Ų79.134%0.34141%0.407SS..THydrogen-bonded Turntrans-111.33.8174.8-64.7-60.5-33.300112.9T30 G75T30-Q77 PolarHBondContact OG1-NE2 2.98Å; T30-Q77 PolarHBondContact OG1-OE1 3.45Å; G75-Q77 PolarHBondContact O-N 3.45Å
78D86.4Confident87.3Confident73 Ų7374.7 Ų74.739%0.3938%0.383SS..  trans-63.6138.3176.4175-93.6000111.3G75 E80 F81 L82G75-D78 WeakPolarHBondContact O-CB 3.34Å; G75-D78 PolarHBondContact O-N 3.33Å; D78-E80 PolarHBondContact O-N 3.47Å; D78-E80 WeakPolarHBondContact OD1-CB 3.31Å; D78-E80 PolarHBondContact OD1-N 3.26Å; D78-F81 HydrophobicContact CB-CB 4.03Å; D78-F81 PolarHBondContact O-N 3.34Å; D78-F81 PolarHBondContact OD1-N 2.87Å; D78-L82 WeakPolarHBondContact O-CB 3.37Å; D78-L82 VanDerWaalsContact O-CG 3.26Å; D78-L82 WeakPolarHBondContact O-CG 3.33Å; D78-L82 PolarHBondContact O-N 2.91Å
79C87.8Confident87.6Confident75 Ų7573.2 Ų73.251%0.50738%0.377SS..Hα-helixtrans-69.2-34.6-172.260.10000113.6Y23 N83Y23-C79 PolarHBondContact OH-O 3.35Å; C79-N83 WeakPolarHBondContact O-CB 3.44Å; C79-N83 PolarHBondContact O-N 3.08Å; C79-N83 VanDerWaalsContact O-N 3.1Å; C79-N83 PolarHBondContact O-ND2 2.91Å
80E88.8Confident87.8Confident155 Ų15574 Ų7472%0.72438%0.38SS*.Hα-helixtrans-68.6-43.1174.8-64.1-171163.800110D78 N83 S84D78-E80 PolarHBondContact O-N 3.47Å; D78-E80 WeakPolarHBondContact OD1-CB 3.31Å; D78-E80 PolarHBondContact OD1-N 3.26Å; E80-N83 PolarHBondContact O-N 3.07Å; E80-S84 PolarHBondContact O-N 3.26Å
81F91.1Very high87.9Confident20 Ų2075.4 Ų75.49%0.08838%0.381CS..Hα-helixtrans-61.2-48.4175.3173.6-111.6000112.7R72 N76 D78 N83 S84 R85R72-F81 HydrophobicContact CB-CE1 4.05Å; R72-F81 HydrophobicContact CB-CE2 3.75Å; R72-F81 HydrophobicContact CB-CZ 3.35Å; R72-F81 HydrophobicContact CG-CE2 4.12Å; R72-F81 HydrophobicContact CG-CZ 4.06Å; N76-F81 HydrophobicContact CB-CE1 4.25Å; D78-F81 HydrophobicContact CB-CB 4.03Å; D78-F81 PolarHBondContact O-N 3.34Å; D78-F81 PolarHBondContact OD1-N 2.87Å; F81-N83 VanDerWaalsContact C-N 3.25Å; F81-N83 PolarHBondContact O-N 3.48Å; F81-S84 PolarHBondContact O-N 3.4Å; F81-R85 VanDerWaalsContact CE2-NH2 3.28Å; F81-R85 HydrophobicContact CZ-CB 4.4Å; F81-R85 VanDerWaalsContact CZ-CZ 3.44Å; F81-R85 VanDerWaalsContact O-CB 3.27Å; F81-R85 WeakPolarHBondContact O-CB 3.23Å; F81-R85 PolarHBondContact O-N 3.16Å
82L92.5Very high88.2Confident3 Ų369.8 Ų69.82%0.01636%0.356CS..Hα-helixtrans-61.1-36.3179.1-71.1178.2000111.4Y23 V25 T30 Y32 N76 D78 R86Y23-L82 HydrophobicContact CD1-CB 4.1Å; Y23-L82 HydrophobicContact CD2-CB 4.1Å; Y23-L82 HydrophobicContact CD2-CD1 3.82Å; Y23-L82 HydrophobicContact CE1-CB 3.81Å; Y23-L82 HydrophobicContact CE2-CB 3.81Å; Y23-L82 HydrophobicContact CE2-CD1 3.57Å; Y23-L82 HydrophobicContact CE2-CG 4.36Å; Y23-L82 HydrophobicContact CG-CB 4.25Å; V25-L82 HydrophobicContact CG2-CD1 3.69Å; T30-L82 HydrophobicContact CG2-CD1 4.12Å; T30-L82 HydrophobicContact CG2-CD2 3.96Å; Y32-L82 WeakPolarHBondContact OH-CD2 3.38Å; N76-L82 WeakPolarHBondContact O-CD2 3.47Å; D78-L82 WeakPolarHBondContact O-CB 3.37Å; D78-L82 VanDerWaalsContact O-CG 3.26Å; D78-L82 WeakPolarHBondContact O-CG 3.33Å; D78-L82 PolarHBondContact O-N 2.91Å; L82-R86 WeakPolarHBondContact O-CB 3.29Å; L82-R86 PolarHBondContact O-N 2.88Å
83N93.4Very high88.6Confident71 Ų7164 Ų6438%0.3833%0.334SS..Hα-helixtrans-68.2-41.8173-89.4-48.1000113.5Y23 C79 E80 F81 R86 K87Y23-N83 WeakPolarHBondContact CE1-OD1 3.5Å; C79-N83 WeakPolarHBondContact O-CB 3.44Å; C79-N83 PolarHBondContact O-N 3.08Å; C79-N83 VanDerWaalsContact O-N 3.1Å; C79-N83 PolarHBondContact O-ND2 2.91Å; E80-N83 PolarHBondContact O-N 3.07Å; F81-N83 VanDerWaalsContact C-N 3.25Å; F81-N83 PolarHBondContact O-N 3.48Å; N83-R86 WeakPolarHBondContact O-CB 3.31Å; N83-R86 PolarHBondContact O-N 2.79Å; N83-K87 PolarHBondContact O-N 2.99Å
84S93.3Very high89.4Confident54 Ų5460.6 Ų60.638%0.37831%0.31SS..Hα-helixtrans-62-48.7173.2-166.90000110.7E80 F81 R86 K87 E88E80-S84 PolarHBondContact O-N 3.26Å; F81-S84 PolarHBondContact O-N 3.4Å; S84-R86 VanDerWaalsContact C-N 3.3Å; S84-R86 PolarHBondContact O-N 3.01Å; S84-K87 WeakPolarHBondContact O-CB 3.35Å; S84-K87 PolarHBondContact O-N 2.97Å; S84-E88 WeakPolarHBondContact O-CG 3.39Å; S84-E88 PolarHBondContact O-N 3.36Å; S84-E88 PolarHBondContact OG-OE1 2.92Å
85R93.7Very high90.2Very high11 Ų1155.6 Ų55.64%0.04229%0.291CS..Hα-helixtrans-57.3-41.7177.6-177.256.254.4113.7-3.7112Y32 Y49 P70 F81 K87 E88 L89Y32-R85 HydrophobicContact CE1-CB 4.5Å; Y32-R85 HydrophobicContact CE1-CG 4.23Å; Y32-R85 WeakPolarHBondContact OH-CG 3.5Å; Y49-R85 VanDerWaalsContact CD2-NH1 3.29Å; P70-R85 PolarHBondContact O-NH1 2.99Å; P70-R85 PolarHBondContact O-NH2 2.83Å; F81-R85 VanDerWaalsContact CE2-NH2 3.28Å; F81-R85 HydrophobicContact CZ-CB 4.4Å; F81-R85 VanDerWaalsContact CZ-CZ 3.44Å; F81-R85 VanDerWaalsContact O-CB 3.27Å; F81-R85 WeakPolarHBondContact O-CB 3.23Å; F81-R85 PolarHBondContact O-N 3.16Å; R85-K87 PolarHBondContact O-N 3.27Å; R85-E88 IonicContact NE-OE2 3.46Å; R85-E88 PolarHBondContact NE-OE2 3.18Å; R85-E88 PolarHBondContact O-N 3.12Å; R85-L89 HydrophobicContact CG-CD1 3.91Å; R85-L89 HydrophobicContact CG-CG 4.27Å; R85-L89 WeakPolarHBondContact O-CB 3.48Å; R85-L89 VanDerWaalsContact O-CG 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.42Å; R85-L89 PolarHBondContact O-N 3.36Å
86R94.9Very high90.9Very high47 Ų4754 Ų5418%0.17727%0.274CS..Hα-helixtrans-55.7-49.5174.4-173.6-162.667.774.61.3111.3I20 Y32 L82 N83 S84 E90I20-R86 HydrophobicContact CB-CG 3.93Å; I20-R86 HydrophobicContact CG2-CG 3.5Å; I20-R86 VanDerWaalsContact CG2-CG 3.5Å; I20-R86 WeakPolarHBondContact O-CD 3.37Å; I20-R86 PolarHBondContact O-NH1 3.12Å; Y32-R86 HydrophobicContact CD1-CB 4.12Å; Y32-R86 HydrophobicContact CD1-CG 4.27Å; Y32-R86 HydrophobicContact CE1-CB 4.04Å; L82-R86 WeakPolarHBondContact O-CB 3.29Å; L82-R86 PolarHBondContact O-N 2.88Å; N83-R86 WeakPolarHBondContact O-CB 3.31Å; N83-R86 PolarHBondContact O-N 2.79Å; S84-R86 VanDerWaalsContact C-N 3.3Å; S84-R86 PolarHBondContact O-N 3.01Å; R86-E90 IonicContact NH1-OE2 2.75Å; R86-E90 PolarHBondContact NH1-OE2 3.01Å; R86-E90 WeakPolarHBondContact O-CB 3.37Å; R86-E90 PolarHBondContact O-N 2.77Å
87K94.4Very high91.5Very high124 Ų12450.7 Ų50.754%0.53926%0.255SS..Hα-helixtrans-64.6-44.3179.7-67.1175.2-178.5178.70111.7N83 S84 R85 E90 I91N83-K87 PolarHBondContact O-N 2.99Å; S84-K87 WeakPolarHBondContact O-CB 3.35Å; S84-K87 PolarHBondContact O-N 2.97Å; R85-K87 PolarHBondContact O-N 3.27Å; K87-E90 PolarHBondContact O-N 3.46Å; K87-I91 WeakPolarHBondContact O-CG1 3.41Å; K87-I91 PolarHBondContact O-N 3.49Å
88E94.8Very high91.8Very high65 Ų6550.4 Ų50.430%0.30425%0.253SS..Hα-helixtrans-60.6-47178-70.5161.3-154.800111.9P69 S84 R85 E90 I91 Y92P69-E88 HydrophobicContact CB-CB 4.01Å; P69-E88 HydrophobicContact CG-CB 3.65Å; S84-E88 WeakPolarHBondContact O-CG 3.39Å; S84-E88 PolarHBondContact O-N 3.36Å; S84-E88 PolarHBondContact OG-OE1 2.92Å; R85-E88 IonicContact NE-OE2 3.46Å; R85-E88 PolarHBondContact NE-OE2 3.18Å; R85-E88 PolarHBondContact O-N 3.12Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.3Å; E88-I91 PolarHBondContact O-N 2.63Å; E88-Y92 WeakPolarHBondContact O-CB 3.27Å; E88-Y92 PolarHBondContact O-N 3.2Å
89L95.7Very high91.8Very high0 Ų048.9 Ų48.90%025%0.251CS..Hα-helixtrans-64.9-36.2176.9-70.4173.9000112.1I20 Y32 Y49 F52 F68 P69 R85 L93I20-L89 HydrophobicContact CD1-CB 3.71Å; Y32-L89 HydrophobicContact CD1-CD1 4.27Å; Y32-L89 HydrophobicContact CD2-CD1 3.93Å; Y32-L89 HydrophobicContact CE1-CD1 4.23Å; Y32-L89 HydrophobicContact CE2-CD1 3.91Å; Y32-L89 HydrophobicContact CG-CD1 4.12Å; Y49-L89 HydrophobicContact CD2-CD1 4.34Å; Y49-L89 HydrophobicContact CD2-CD2 4.21Å; Y49-L89 HydrophobicContact CE2-CD2 4.33Å; F52-L89 HydrophobicContact CB-CD2 4.16Å; F52-L89 HydrophobicContact CD1-CD2 3.86Å; F52-L89 HydrophobicContact CD2-CD1 4.15Å; F52-L89 HydrophobicContact CD2-CD2 4.37Å; F52-L89 HydrophobicContact CE1-CB 4.22Å; F52-L89 HydrophobicContact CE1-CD2 4.29Å; F52-L89 HydrophobicContact CE2-CD1 4.1Å; F52-L89 HydrophobicContact CG-CD1 4.5Å; F52-L89 HydrophobicContact CG-CD2 3.9Å; F52-L89 HydrophobicContact CZ-CB 4.34Å; F52-L89 HydrophobicContact CZ-CD1 4.4Å; F68-L89 HydrophobicContact CE2-CD2 4.02Å; P69-L89 HydrophobicContact CG-CD2 4.13Å; R85-L89 HydrophobicContact CG-CD1 3.91Å; R85-L89 HydrophobicContact CG-CG 4.27Å; R85-L89 WeakPolarHBondContact O-CB 3.48Å; R85-L89 VanDerWaalsContact O-CG 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.42Å; R85-L89 PolarHBondContact O-N 3.36Å; L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 2.84Å; L89-L93 PolarHBondContact O-N 3.45Å
90E94.8Very high91.8Very high27 Ų2745.4 Ų45.413%0.12623%0.227CC..Hα-helixtrans-64.9-46.2176.9-174.3173.6148.800111.6I20 R86 K87 E88 L93 R94I20-E90 HydrophobicContact CB-CB 4.23Å; I20-E90 HydrophobicContact CD1-CB 3.99Å; I20-E90 HydrophobicContact CG1-CB 3.86Å; I20-E90 HydrophobicContact CG1-CG 4.22Å; I20-E90 PolarHBondContact N-OE2 2.84Å; R86-E90 IonicContact NH1-OE2 2.75Å; R86-E90 PolarHBondContact NH1-OE2 3.01Å; R86-E90 WeakPolarHBondContact O-CB 3.37Å; R86-E90 PolarHBondContact O-N 2.77Å; K87-E90 PolarHBondContact O-N 3.46Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.3Å; E90-L93 PolarHBondContact O-N 3.31Å; E90-R94 WeakPolarHBondContact O-CB 3.4Å; E90-R94 WeakPolarHBondContact O-CG 3.15Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 VanDerWaalsContact OE1-CZ 3.23Å; E90-R94 IonicContact OE1-NE 2.83Å; E90-R94 PolarHBondContact OE1-NE 3.28Å; E90-R94 IonicContact OE1-NH2 2.93Å; E90-R94 PolarHBondContact OE1-NH2 3.38Å
91I92Very high91.7Very high124 Ų12438 Ų3864%0.63619%0.193SC*.Hα-helixtrans-59.9-49.1176.4-68.4166000110.4K87 E88 L93 R94 A95K87-I91 WeakPolarHBondContact O-CG1 3.41Å; K87-I91 PolarHBondContact O-N 3.49Å; E88-I91 PolarHBondContact O-N 2.63Å; I91-L93 PolarHBondContact O-N 3.11Å; I91-R94 PolarHBondContact O-N 2.97Å; I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.37Å
92Y93.1Very high91.4Very high5 Ų541.5 Ų41.52%0.0221%0.212CC..Hα-helixtrans-56.6-48.8177.6164.4-97000111.9F52 N56 P66 F68 E88 A95 I96F52-Y92 HydrophobicContact CD1-CE1 4.47Å; N56-Y92 VanDerWaalsContact CB-OH 3.29Å; N56-Y92 WeakPolarHBondContact CB-OH 3.23Å; N56-Y92 PolarHBondContact OD1-OH 3.21Å; P66-Y92 HydrophobicContact CB-CD2 4.23Å; F68-Y92 HydrophobicContact CB-CD2 4.25Å; F68-Y92 HydrophobicContact CB-CE2 3.89Å; F68-Y92 HydrophobicContact CD2-CD1 4.02Å; F68-Y92 HydrophobicContact CD2-CD2 4.04Å; F68-Y92 AromaticContact CD2-CE1 3.73Å; F68-Y92 HydrophobicContact CD2-CE1 3.73Å; F68-Y92 AromaticContact CD2-CE2 3.73Å; F68-Y92 HydrophobicContact CD2-CE2 3.73Å; F68-Y92 HydrophobicContact CD2-CG 4.17Å; F68-Y92 AromaticContact CD2-CZ 3.57Å; F68-Y92 HydrophobicContact CE2-CD1 4.39Å; F68-Y92 HydrophobicContact CE2-CE1 4.09Å; F68-Y92 HydrophobicContact CG-CE2 4.27Å; E88-Y92 WeakPolarHBondContact O-CB 3.27Å; E88-Y92 PolarHBondContact O-N 3.2Å; Y92-A95 PolarHBondContact O-N 3.42Å; Y92-I96 HydrophobicContact CD1-CD1 4.43Å; Y92-I96 HydrophobicContact CD2-CD1 4.16Å; Y92-I96 HydrophobicContact CE1-CD1 3.7Å; Y92-I96 HydrophobicContact CE2-CD1 3.39Å; Y92-I96 HydrophobicContact CE2-CG1 4.21Å; Y92-I96 PolarHBondContact O-N 2.97Å; Y92-I96 WeakPolarHBondContact OH-CD1 3.44Å
93L92.6Very high91.1Very high0 Ų046.2 Ų46.20%023%0.234CC..Hα-helixtrans-68.1-41-176.2-173.961.7000112.3I18 I34 F52 L89 E90 I91 A95 I96 F97 L116 F119 L120I18-L93 HydrophobicContact CD1-CG 4.44Å; I18-L93 HydrophobicContact CG2-CD2 3.67Å; I18-L93 HydrophobicContact CG2-CG 4.08Å; I34-L93 HydrophobicContact CD1-CD2 3.91Å; I34-L93 HydrophobicContact CG1-CD2 4.29Å; I34-L93 HydrophobicContact CG2-CD2 3.95Å; F52-L93 HydrophobicContact CE1-CB 4.46Å; F52-L93 HydrophobicContact CE1-CD2 4.11Å; F52-L93 HydrophobicContact CZ-CD2 4.46Å; L89-L93 VanDerWaalsContact O-CB 3.24Å; L89-L93 WeakPolarHBondContact O-CB 2.84Å; L89-L93 PolarHBondContact O-N 3.45Å; E90-L93 PolarHBondContact O-N 3.31Å; I91-L93 PolarHBondContact O-N 3.11Å; L93-A95 VanDerWaalsContact C-N 3.34Å; L93-I96 PolarHBondContact O-N 3.48Å; L93-F97 WeakPolarHBondContact O-CB 3.49Å; L93-F97 PolarHBondContact O-N 3.32Å; L93-L116 HydrophobicContact CD1-CD1 4.42Å; L93-F119 HydrophobicContact CD1-CD1 4.04Å; L93-F119 HydrophobicContact CD1-CE1 3.85Å; L93-F119 HydrophobicContact CD2-CE1 4.4Å; L93-L120 HydrophobicContact CD1-CD2 4.23Å; L93-L120 HydrophobicContact CD2-CD2 3.99Å; L93-L120 HydrophobicContact CG-CD2 4.46Å
94R91.5Very high90.8Very high90 Ų9043.5 Ų43.534%0.3422%0.219SC..Hα-helixtrans-61.3-43.4174.5-75.3-178.8-179.7-162.76.7111.7I18 E90 I91 F97 K98I18-R94 HydrophobicContact CB-CG 4.47Å; I18-R94 PolarHBondContact O-NE 2.96Å; I18-R94 PolarHBondContact O-NH2 3.49Å; E90-R94 WeakPolarHBondContact O-CB 3.4Å; E90-R94 WeakPolarHBondContact O-CG 3.15Å; E90-R94 PolarHBondContact O-N 2.96Å; E90-R94 IonicContact OE1-CZ 3.27Å; E90-R94 VanDerWaalsContact OE1-CZ 3.23Å; E90-R94 IonicContact OE1-NE 2.83Å; E90-R94 PolarHBondContact OE1-NE 3.28Å; E90-R94 IonicContact OE1-NH2 2.93Å; E90-R94 PolarHBondContact OE1-NH2 3.38Å; I91-R94 PolarHBondContact O-N 2.97Å; R94-F97 PolarHBondContact O-N 2.9Å; R94-K98 WeakPolarHBondContact O-CB 3.44Å; R94-K98 PolarHBondContact O-N 3.43Å
95A89.4Confident90.4Very high39 Ų3945.6 Ų45.632%0.32222%0.218SC..Hα-helixtrans-63.9-42.8179.300000111.8P66 I91 Y92 L93 A99P66-A95 HydrophobicContact CB-CB 3.73Å; P66-A95 HydrophobicContact CG-CB 3.42Å; P66-A95 VanDerWaalsContact CG-CB 3.42Å; I91-A95 WeakPolarHBondContact O-CB 3.35Å; I91-A95 PolarHBondContact O-N 3.37Å; Y92-A95 PolarHBondContact O-N 3.42Å; L93-A95 VanDerWaalsContact C-N 3.34Å; A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.47Å
96I90Very high90Very high1 Ų154.1 Ų54.11%0.00526%0.256CS..Hα-helixtrans-63.1-47.6174.5-74.2-174.1000111.4F55 P66 Y92 L93 K98 A99 D100 L116F55-I96 HydrophobicContact CE1-CD1 4.04Å; F55-I96 HydrophobicContact CE1-CG2 4.33Å; F55-I96 HydrophobicContact CZ-CG2 4.22Å; P66-I96 HydrophobicContact CG-CG1 3.95Å; Y92-I96 HydrophobicContact CD1-CD1 4.43Å; Y92-I96 HydrophobicContact CD2-CD1 4.16Å; Y92-I96 HydrophobicContact CE1-CD1 3.7Å; Y92-I96 HydrophobicContact CE2-CD1 3.39Å; Y92-I96 HydrophobicContact CE2-CG1 4.21Å; Y92-I96 PolarHBondContact O-N 2.97Å; Y92-I96 WeakPolarHBondContact OH-CD1 3.44Å; L93-I96 PolarHBondContact O-N 3.48Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 3.24Å; I96-A99 PolarHBondContact O-N 3.04Å; I96-D100 WeakPolarHBondContact O-CB 3.44Å; I96-D100 PolarHBondContact O-N 3.35Å; I96-L116 HydrophobicContact CG2-CD1 4.27Å; I96-L116 HydrophobicContact CG2-CD2 4.27Å
97F90.2Very high89.6Confident7 Ų756.3 Ų56.33%0.03127%0.274CS..Hα-helixtrans-58.8-44.8-178.9-177.4-94.3000112L7 F17 I18 L93 R94 C101 L112 L116 L120 F122L7-F97 HydrophobicContact CD1-CE1 4.47Å; L7-F97 HydrophobicContact CD1-CZ 3.83Å; L7-F97 HydrophobicContact CD2-CE1 4.36Å; L7-F97 HydrophobicContact CD2-CZ 3.93Å; F17-F97 HydrophobicContact CB-CE1 3.89Å; F17-F97 HydrophobicContact CB-CZ 4.31Å; F17-F97 HydrophobicContact CD2-CE1 4.36Å; F17-F97 HydrophobicContact CG-CE1 4.18Å; I18-F97 HydrophobicContact CD1-CB 3.62Å; I18-F97 HydrophobicContact CD1-CD1 4.12Å; I18-F97 HydrophobicContact CD1-CD2 3.36Å; I18-F97 HydrophobicContact CD1-CE2 3.95Å; I18-F97 HydrophobicContact CD1-CG 3.43Å; I18-F97 VanDerWaalsContact CD1-CG 3.43Å; I18-F97 HydrophobicContact CG1-CD2 4.4Å; I18-F97 HydrophobicContact CG1-CG 4.38Å; L93-F97 WeakPolarHBondContact O-CB 3.49Å; L93-F97 PolarHBondContact O-N 3.32Å; R94-F97 PolarHBondContact O-N 2.9Å; F97-C101 WeakPolarHBondContact O-CB 3.48Å; F97-C101 PolarHBondContact O-N 2.91Å; F97-C101 PolarHBondContact O-SG 3.47Å; F97-L112 HydrophobicContact CD2-CD1 4.35Å; F97-L112 HydrophobicContact CD2-CD2 4.23Å; F97-L112 HydrophobicContact CE2-CD1 3.71Å; F97-L112 HydrophobicContact CE2-CD2 3.99Å; F97-L112 HydrophobicContact CE2-CG 4.49Å; F97-L116 HydrophobicContact CD2-CD2 4.11Å; F97-L120 HydrophobicContact CD2-CD1 3.79Å; F97-L120 HydrophobicContact CE2-CD1 4.18Å; F97-F122 HydrophobicContact CE2-CE2 4.07Å; F97-F122 AromaticContact CE2-CZ 3.81Å; F97-F122 HydrophobicContact CE2-CZ 3.81Å; F97-F122 HydrophobicContact CZ-CZ 4.18Å
98K87Confident89.1Confident67 Ų6753 Ų5329%0.29128%0.275SS..Hα-helixtrans-61.6-47.6176.3-172.1173.4-173.1168.40111.5D13 R94 I96 D100 L102D13-K98 IonicContact OD1-NZ 2.9Å; D13-K98 PolarHBondContact OD1-NZ 3.46Å; R94-K98 WeakPolarHBondContact O-CB 3.44Å; R94-K98 PolarHBondContact O-N 3.43Å; I96-K98 VanDerWaalsContact C-N 3.32Å; I96-K98 PolarHBondContact O-N 3.24Å; K98-D100 PolarHBondContact O-N 2.88Å; K98-L102 HydrophobicContact CG-CD1 4.22Å; K98-L102 WeakPolarHBondContact O-CG 3.45Å; K98-L102 PolarHBondContact O-N 2.91Å; K98-L102 VanDerWaalsContact O-N 3.12Å
99A86.4Confident88.6Confident42 Ų4251.6 Ų51.635%0.34727%0.27SS..Hα-helixtrans-60-47179.700000112.1A95 I96 L102 Q103A95-A99 WeakPolarHBondContact O-CB 3.4Å; A95-A99 PolarHBondContact O-N 3.47Å; I96-A99 PolarHBondContact O-N 3.04Å; A99-L102 PolarHBondContact O-N 3.31Å; A99-Q103 WeakPolarHBondContact O-CB 3.3Å; A99-Q103 PolarHBondContact O-N 2.9Å
100D88.3Confident87.9Confident1 Ų152.3 Ų52.31%0.00528%0.275CS..Hα-helixtrans-67.5-41.7-178.2-78.24.2000112.5R59 I96 K98 L102 Q103 Q104 P113 L116R59-D100 IonicContact CZ-OD1 3.23Å; R59-D100 IonicContact CZ-OD2 2.75Å; R59-D100 IonicContact NH1-OD1 2.7Å; R59-D100 PolarHBondContact NH1-OD1 2.98Å; R59-D100 IonicContact NH1-OD2 2.76Å; R59-D100 PolarHBondContact NH1-OD2 3.21Å; R59-D100 IonicContact NH2-OD1 3.42Å; R59-D100 PolarHBondContact NH2-OD1 3.48Å; I96-D100 WeakPolarHBondContact O-CB 3.44Å; I96-D100 PolarHBondContact O-N 3.35Å; K98-D100 PolarHBondContact O-N 2.88Å; D100-L102 VanDerWaalsContact C-N 3.33Å; D100-L102 PolarHBondContact O-N 2.7Å; D100-Q103 PolarHBondContact O-N 3.42Å; D100-Q104 VanDerWaalsContact O-CG 3.32Å; D100-Q104 WeakPolarHBondContact O-CG 3.35Å; D100-Q104 PolarHBondContact O-N 3.02Å; D100-P113 HydrophobicContact CB-CG 3.88Å; D100-L116 HydrophobicContact CB-CD2 3.77Å; D100-L116 VanDerWaalsContact OD2-CD2 3.31Å; D100-L116 WeakPolarHBondContact OD2-CD2 3.28Å
101C86.9Confident87.5Confident0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-58.9-45174.4-76.80000111.8F4 L9 F97 R105 L112F4-C101 HydrophobicContact CE2-CB 4.44Å; F4-C101 HydrophobicContact CZ-CB 4.38Å; L9-C101 HydrophobicContact CD1-CB 3.57Å; L9-C101 HydrophobicContact CG-CB 4.5Å; F97-C101 WeakPolarHBondContact O-CB 3.48Å; F97-C101 PolarHBondContact O-N 2.91Å; F97-C101 PolarHBondContact O-SG 3.47Å; C101-R105 WeakPolarHBondContact O-CG 3.36Å; C101-R105 PolarHBondContact O-N 2.8Å; C101-R105 VanDerWaalsContact O-N 3.14Å; C101-L112 WeakPolarHBondContact SG-CD2 3.49Å
102L85.1Confident87.3Confident93 Ų9345.3 Ų45.349%0.48724%0.239SC..Hα-helixtrans-65.8-41.2178.1-70.8171.4000111.6L9 K98 A99 D100 R105 K106L9-L102 HydrophobicContact CD1-CD2 3.93Å; L9-L102 HydrophobicContact CD1-CG 3.95Å; K98-L102 HydrophobicContact CG-CD1 4.22Å; K98-L102 WeakPolarHBondContact O-CG 3.45Å; K98-L102 PolarHBondContact O-N 2.91Å; K98-L102 VanDerWaalsContact O-N 3.12Å; A99-L102 PolarHBondContact O-N 3.31Å; D100-L102 VanDerWaalsContact C-N 3.33Å; D100-L102 PolarHBondContact O-N 2.7Å; L102-R105 PolarHBondContact O-N 3.49Å; L102-K106 WeakPolarHBondContact O-CB 3.39Å; L102-K106 PolarHBondContact O-N 3.28Å
103Q86.2Confident87.1Confident103 Ų10346.6 Ų46.648%0.48125%0.248SC..Hα-helixtrans-63.3-48.2178-176.5175.9-2.400111.6A99 D100 R105 K106 V107A99-Q103 WeakPolarHBondContact O-CB 3.3Å; A99-Q103 PolarHBondContact O-N 2.9Å; D100-Q103 PolarHBondContact O-N 3.42Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 3.29Å; Q103-K106 WeakPolarHBondContact O-CB 3.37Å; Q103-K106 PolarHBondContact O-N 3.32Å; Q103-K106 VanDerWaalsContact O-N 3.14Å; Q103-V107 WeakPolarHBondContact O-CG2 3.4Å; Q103-V107 PolarHBondContact O-N 3.48Å
104Q86.8Confident87Confident13 Ų1348.3 Ų48.36%0.06126%0.255CS..Hα-helixtrans-59.9-44.1178.9-69.7-71.553.500111.6F4 D100 K106 V107 G108 L109 S111 P113 C171F4-Q104 HydrophobicContact CZ-CB 4.13Å; D100-Q104 VanDerWaalsContact O-CG 3.32Å; D100-Q104 WeakPolarHBondContact O-CG 3.35Å; D100-Q104 PolarHBondContact O-N 3.02Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 3.1Å; Q104-V107 VanDerWaalsContact O-CG2 3.26Å; Q104-V107 WeakPolarHBondContact O-CG2 3.35Å; Q104-V107 PolarHBondContact O-N 2.76Å; Q104-G108 PolarHBondContact O-N 2.86Å; Q104-G108 VanDerWaalsContact O-N 3.11Å; Q104-L109 CarbonylContact C-O 3.3Å; Q104-L109 HydrophobicContact CB-CB 4.25Å; Q104-L109 PolarHBondContact O-N 2.79Å; Q104-S111 VanDerWaalsContact CD-O 3.24Å; Q104-S111 WeakPolarHBondContact CG-O 3.27Å; Q104-S111 PolarHBondContact NE2-O 2.8Å; Q104-P113 HydrophobicContact CG-CG 4Å; Q104-C171 PolarHBondContact NE2-O 3.42Å
105R84.3Confident86.9Confident99 Ų9948.4 Ų48.437%0.37426%0.259SS..Hα-helixtrans-59.9-41.2174.8-74.6178.4177.3-170.7-3.4112.7F4 L7 C101 L102 Q103 V107 G108F4-R105 HydrophobicContact CE1-CG 4.08Å; F4-R105 HydrophobicContact CZ-CG 4.46Å; L7-R105 PolarHBondContact O-NH2 3.12Å; C101-R105 WeakPolarHBondContact O-CG 3.36Å; C101-R105 PolarHBondContact O-N 2.8Å; C101-R105 VanDerWaalsContact O-N 3.14Å; L102-R105 PolarHBondContact O-N 3.49Å; Q103-R105 VanDerWaalsContact C-N 3.34Å; Q103-R105 PolarHBondContact O-N 3.29Å; R105-V107 VanDerWaalsContact C-N 3.26Å; R105-V107 PolarHBondContact O-N 3.05Å; R105-G108 PolarHBondContact O-N 2.78Å; R105-G108 VanDerWaalsContact O-N 3.13Å
106K86.2Confident87.1Confident190 Ų19046.6 Ų46.683%0.82624%0.244SC*.Hα-helixtrans-62.1-34.7179.5-173.5-178.9178.7-177.60112.3L102 Q103 Q104L102-K106 WeakPolarHBondContact O-CB 3.39Å; L102-K106 PolarHBondContact O-N 3.28Å; Q103-K106 WeakPolarHBondContact O-CB 3.37Å; Q103-K106 PolarHBondContact O-N 3.32Å; Q103-K106 VanDerWaalsContact O-N 3.14Å; Q104-K106 VanDerWaalsContact C-N 3.32Å; Q104-K106 PolarHBondContact O-N 3.1Å
107V86.2Confident87.2Confident93 Ų9346.6 Ų46.656%0.56424%0.244SC*.THydrogen-bonded Turntrans-92.23.4178-60.30000113.5Q103 Q104 R105 L109Q103-V107 WeakPolarHBondContact O-CG2 3.4Å; Q103-V107 PolarHBondContact O-N 3.48Å; Q104-V107 VanDerWaalsContact O-CG2 3.26Å; Q104-V107 WeakPolarHBondContact O-CG2 3.35Å; Q104-V107 PolarHBondContact O-N 2.76Å; R105-V107 VanDerWaalsContact C-N 3.26Å; R105-V107 PolarHBondContact O-N 3.05Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 HydrophobicContact CG2-CB 4.07Å; V107-L109 HydrophobicContact CG2-CD1 3.75Å; V107-L109 HydrophobicContact CG2-CG 3.81Å
108G83Confident87.4Confident54 Ų5449.3 Ų49.356%0.55726%0.259SS*.THydrogen-bonded Turntrans75.718.3178.500000114.6Q104 R105Q104-G108 PolarHBondContact O-N 2.86Å; Q104-G108 VanDerWaalsContact O-N 3.11Å; R105-G108 PolarHBondContact O-N 2.78Å; R105-G108 VanDerWaalsContact O-N 3.13Å
109L84.4Confident87.8Confident36 Ų3646.9 Ų46.919%0.18825%0.248CC..  trans-87.8140.4175.5-72.2177.9000110.5Q104 V107 G170Q104-L109 CarbonylContact C-O 3.3Å; Q104-L109 HydrophobicContact CB-CB 4.25Å; Q104-L109 PolarHBondContact O-N 2.79Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 HydrophobicContact CG2-CB 4.07Å; V107-L109 HydrophobicContact CG2-CD1 3.75Å; V107-L109 HydrophobicContact CG2-CG 3.81Å; L109-G170 WeakPolarHBondContact CB-O 3.38Å; L109-G170 WeakPolarHBondContact CD2-O 3.35Å
110S81.3Confident88.3Confident15 Ų1544.9 Ų44.911%0.10523%0.231CC..  trans-104.114.6-17161.10000114.6F4 H128 E166 G170F4-S110 WeakPolarHBondContact CB-O 3.29Å; F4-S110 VanDerWaalsContact CD1-C 3.43Å; F4-S110 WeakPolarHBondContact CD1-O 3.33Å; F4-S110 VanDerWaalsContact CG-O 3.23Å; F4-S110 WeakPolarHBondContact CG-O 3.32Å; S110-H128 PolarHBondContact OG-CD2 2.78Å; S110-E166 WeakPolarHBondContact CB-OE2 3.41Å; S110-E166 PolarHBondContact OG-OE2 3.33Å; S110-G170 PolarHBondContact N-O 3.38Å
111S85.8Confident88.6Confident0 Ų046.1 Ų46.10%024%0.238CC..SBendtrans-145166.8172.477.80000112.9Q104 E132 G170 C171Q104-S111 VanDerWaalsContact CD-O 3.24Å; Q104-S111 WeakPolarHBondContact CG-O 3.27Å; Q104-S111 PolarHBondContact NE2-O 2.8Å; S111-E132 VanDerWaalsContact CB-OE1 3.25Å; S111-E132 WeakPolarHBondContact CB-OE1 3.45Å; S111-E132 PolarHBondContact OG-OE1 3.29Å; S111-G170 PolarHBondContact N-O 3.05Å; S111-G170 PolarHBondContact OG-O 2.93Å; S111-C171 WeakPolarHBondContact OG-CA 3.39Å; S111-C171 WeakPolarHBondContact OG-CB 3.47Å; S111-C171 PolarHBondContact OG-N 3.24Å
112L88.5Confident88.9Confident4 Ų446.2 Ų46.22%0.02124%0.239CC..  trans-65.1154.1177.2-70.7168.4000111.5F4 F97 C101 R114 L116 A117 F122 C171F4-L112 HydrophobicContact CD2-CD2 4.4Å; F4-L112 HydrophobicContact CD2-CG 4.05Å; F4-L112 HydrophobicContact CE2-CD2 3.79Å; F4-L112 HydrophobicContact CE2-CG 3.9Å; F97-L112 HydrophobicContact CD2-CD1 4.35Å; F97-L112 HydrophobicContact CD2-CD2 4.23Å; F97-L112 HydrophobicContact CE2-CD1 3.71Å; F97-L112 HydrophobicContact CE2-CD2 3.99Å; F97-L112 HydrophobicContact CE2-CG 4.49Å; C101-L112 WeakPolarHBondContact SG-CD2 3.49Å; L112-R114 PolarHBondContact O-N 3.25Å; L112-L116 HydrophobicContact CD2-CD2 3.95Å; L112-A117 HydrophobicContact CB-CB 4.19Å; L112-F122 HydrophobicContact CD1-CD1 3.61Å; L112-F122 HydrophobicContact CD1-CD2 3.8Å; L112-F122 HydrophobicContact CD1-CE1 3.55Å; L112-F122 HydrophobicContact CD1-CE2 3.7Å; L112-F122 HydrophobicContact CD1-CG 3.76Å; L112-F122 HydrophobicContact CD1-CZ 3.59Å; L112-C171 VanDerWaalsContact O-CB 3.25Å; L112-C171 WeakPolarHBondContact O-CB 3.41Å
113P89.5Confident89.3Confident32 Ų3243.2 Ų43.221%0.20822%0.222CC..  trans-55137.4170.2-24.536.3000110.6D100 Q104 Q115 L116 A117D100-P113 HydrophobicContact CB-CG 3.88Å; Q104-P113 HydrophobicContact CG-CG 4Å; P113-Q115 PolarHBondContact O-N 3.21Å; P113-L116 PolarHBondContact O-N 3.43Å; P113-A117 PolarHBondContact O-N 2.77Å
114R89.7Confident89.5Confident36 Ų3641.7 Ų41.714%0.13622%0.217CC..Hα-helixtrans-49-42.7-172-17762.3175.2159.32.6113.5L112 A117 L118 H133 E136L112-R114 PolarHBondContact O-N 3.25Å; R114-A117 PolarHBondContact O-N 3.41Å; R114-L118 HydrophobicContact CG-CD1 4.2Å; R114-L118 WeakPolarHBondContact O-CB 3.5Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å; R114-L118 PolarHBondContact O-N 3.39Å; R114-H133 PolarHBondContact NH2-ND1 2.98Å; R114-E136 IonicContact CZ-OE2 3.84Å; R114-E136 VanDerWaalsContact CZ-OE2 3.3Å; R114-E136 IonicContact NE-OE2 3.6Å; R114-E136 PolarHBondContact NE-OE2 3.27Å; R114-E136 IonicContact NH2-OE2 3.85Å; R114-E136 PolarHBondContact NH2-OE2 2.76Å
115Q90.1Very high89.8Confident92 Ų9241.6 Ų41.643%0.4322%0.216SC..Hα-helixtrans-62.7-43.8-179.8-64-179.4-3.400112.4F55 A58 P113 F119F55-Q115 HydrophobicContact CE2-CB 4.17Å; A58-Q115 PolarHBondContact O-NE2 2.71Å; A58-Q115 PolarHBondContact O-OE1 3.16Å; P113-Q115 PolarHBondContact O-N 3.21Å; Q115-F119 WeakPolarHBondContact O-CB 3.47Å; Q115-F119 PolarHBondContact O-N 3.35Å
116L92.8Very high90.2Very high1 Ų137 Ų371%0.00520%0.198CC..Hα-helixtrans-71.2-40.4178.7179.360.4000110.9F55 L93 I96 F97 D100 L112 P113 L118 F119 L120F55-L116 HydrophobicContact CE2-CB 4.31Å; F55-L116 HydrophobicContact CE2-CD1 4.43Å; F55-L116 HydrophobicContact CZ-CB 4.26Å; F55-L116 HydrophobicContact CZ-CD1 3.83Å; L93-L116 HydrophobicContact CD1-CD1 4.42Å; I96-L116 HydrophobicContact CG2-CD1 4.27Å; I96-L116 HydrophobicContact CG2-CD2 4.27Å; F97-L116 HydrophobicContact CD2-CD2 4.11Å; D100-L116 HydrophobicContact CB-CD2 3.77Å; D100-L116 VanDerWaalsContact OD2-CD2 3.31Å; D100-L116 WeakPolarHBondContact OD2-CD2 3.28Å; L112-L116 HydrophobicContact CD2-CD2 3.95Å; P113-L116 PolarHBondContact O-N 3.43Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.94Å; L116-F119 PolarHBondContact O-N 3.29Å; L116-L120 HydrophobicContact CD1-CD1 3.59Å; L116-L120 HydrophobicContact CD1-CG 3.98Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.07Å
117A92.8Very high90.4Very high1 Ų127.9 Ų27.91%0.00816%0.159CC..Hα-helixtrans-59.6-41.8175.800000112.2L112 P113 R114 D121 F122 A129L112-A117 HydrophobicContact CB-CB 4.19Å; P113-A117 PolarHBondContact O-N 2.77Å; R114-A117 PolarHBondContact O-N 3.41Å; A117-D121 CarbonylContact O-C 3.27Å; A117-D121 PolarHBondContact O-N 3.01Å; A117-D121 VanDerWaalsContact O-N 3.11Å; A117-F122 HydrophobicContact CB-CB 3.96Å; A117-F122 PolarHBondContact O-N 3.46Å; A117-A129 HydrophobicContact CB-CB 4.44Å
118L93.9Very high90.6Very high64 Ų6423.6 Ų23.634%0.33513%0.133SC..Hα-helixtrans-68.6-43.1173.7-71.2173.7000111.7R47 R114 L116 L120 D121 H123R47-L118 PolarHBondContact NH2-O 3.4Å; R114-L118 HydrophobicContact CG-CD1 4.2Å; R114-L118 WeakPolarHBondContact O-CB 3.5Å; R114-L118 WeakPolarHBondContact O-CG 3.46Å; R114-L118 PolarHBondContact O-N 3.39Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.94Å; L118-L120 PolarHBondContact O-N 3.01Å; L118-D121 PolarHBondContact O-N 3.06Å; L118-H123 HydrophobicContact CD2-CB 4.23Å
119F95.9Very high91.1Very high16 Ų1621.1 Ų21.17%0.0711%0.107CC..Hα-helixtrans-60.3-34.7180-173.2-100.6000112.4I34 R47 D51 F52 F55 L93 Q115 L116I34-F119 HydrophobicContact CD1-CE1 4.03Å; I34-F119 HydrophobicContact CD1-CZ 4.47Å; R47-F119 HydrophobicContact CB-CE2 4.41Å; R47-F119 HydrophobicContact CB-CZ 4.11Å; R47-F119 HydrophobicContact CG-CE1 4.32Å; R47-F119 HydrophobicContact CG-CE2 3.93Å; R47-F119 HydrophobicContact CG-CZ 3.76Å; R47-F119 VanDerWaalsContact CZ-O 3.27Å; R47-F119 PolarHBondContact NE-O 2.78Å; R47-F119 PolarHBondContact NH2-O 3.2Å; D51-F119 HydrophobicContact CB-CE2 4.45Å; F52-F119 HydrophobicContact CB-CZ 4.43Å; F52-F119 HydrophobicContact CD1-CE1 4.01Å; F52-F119 AromaticContact CD1-CZ 3.56Å; F52-F119 HydrophobicContact CD1-CZ 3.56Å; F52-F119 AromaticContact CD2-CZ 3.97Å; F52-F119 HydrophobicContact CD2-CZ 3.97Å; F52-F119 AromaticContact CE1-CE1 3.81Å; F52-F119 HydrophobicContact CE1-CE1 3.81Å; F52-F119 AromaticContact CE1-CZ 3.7Å; F52-F119 HydrophobicContact CE1-CZ 3.7Å; F52-F119 HydrophobicContact CE2-CZ 4.09Å; F52-F119 HydrophobicContact CG-CE2 4.47Å; F52-F119 AromaticContact CG-CZ 3.7Å; F52-F119 HydrophobicContact CG-CZ 3.7Å; F52-F119 HydrophobicContact CZ-CE1 4.21Å; F52-F119 AromaticContact CZ-CZ 3.97Å; F52-F119 HydrophobicContact CZ-CZ 3.97Å; F55-F119 HydrophobicContact CB-CD2 3.62Å; F55-F119 HydrophobicContact CB-CE2 3.81Å; F55-F119 HydrophobicContact CB-CG 4.27Å; F55-F119 HydrophobicContact CD1-CD1 4.41Å; F55-F119 HydrophobicContact CD1-CD2 4.41Å; F55-F119 HydrophobicContact CD1-CG 4.32Å; F55-F119 HydrophobicContact CD2-CB 3.78Å; F55-F119 HydrophobicContact CD2-CD2 4.06Å; F55-F119 AromaticContact CD2-CG 3.92Å; F55-F119 HydrophobicContact CD2-CG 3.92Å; F55-F119 HydrophobicContact CE2-CB 4Å; F55-F119 HydrophobicContact CE2-CG 4.38Å; F55-F119 HydrophobicContact CG-CB 4.28Å; F55-F119 HydrophobicContact CG-CD1 4.43Å; F55-F119 AromaticContact CG-CD2 3.77Å; F55-F119 HydrophobicContact CG-CD2 3.77Å; F55-F119 HydrophobicContact CG-CE2 4.21Å; F55-F119 AromaticContact CG-CG 3.89Å; F55-F119 HydrophobicContact CG-CG 3.89Å; L93-F119 HydrophobicContact CD1-CD1 4.04Å; L93-F119 HydrophobicContact CD1-CE1 3.85Å; L93-F119 HydrophobicContact CD2-CE1 4.4Å; Q115-F119 WeakPolarHBondContact O-CB 3.47Å; Q115-F119 PolarHBondContact O-N 3.35Å; L116-F119 PolarHBondContact O-N 3.29Å
120L95.7Very high91.5Very high0 Ų019.6 Ų19.60%010%0.099CC..THydrogen-bonded Turntrans-101.410.6-179.2-65.2177.7000114.5I18 I34 V36 W43 L93 F97 L116 L118 F122I18-L120 HydrophobicContact CD1-CD1 3.48Å; I18-L120 VanDerWaalsContact CD1-CD1 3.48Å; I18-L120 HydrophobicContact CD1-CD2 4.28Å; I34-L120 HydrophobicContact CD1-CD2 4.45Å; I34-L120 HydrophobicContact CG2-CD2 4.21Å; V36-L120 HydrophobicContact CG2-CB 4.43Å; V36-L120 HydrophobicContact CG2-CD2 4.19Å; W43-L120 PolarHBondContact NE1-O 3.44Å; L93-L120 HydrophobicContact CD1-CD2 4.23Å; L93-L120 HydrophobicContact CD2-CD2 3.99Å; L93-L120 HydrophobicContact CG-CD2 4.46Å; F97-L120 HydrophobicContact CD2-CD1 3.79Å; F97-L120 HydrophobicContact CE2-CD1 4.18Å; L116-L120 HydrophobicContact CD1-CD1 3.59Å; L116-L120 HydrophobicContact CD1-CG 3.98Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 WeakPolarHBondContact O-CB 3.38Å; L116-L120 PolarHBondContact O-N 3.07Å; L118-L120 PolarHBondContact O-N 3.01Å; L120-F122 HydrophobicContact CB-CD2 3.65Å; L120-F122 HydrophobicContact CB-CE2 3.9Å; L120-F122 HydrophobicContact CD1-CD2 4.47Å; L120-F122 HydrophobicContact CD1-CE2 4.05Å; L120-F122 PolarHBondContact O-N 3.21Å
121D95.2Very high92Very high27 Ų2719 Ų1914%0.14410%0.095CC..THydrogen-bonded Turntrans57.424.2-179-64.5-13.6000115.4V45 R47 A117 L118 H123 L124 Y125V45-D121 HydrophobicContact CG2-CB 3.89Å; R47-D121 IonicContact CZ-OD1 3.86Å; R47-D121 IonicContact NH2-OD1 3.62Å; R47-D121 PolarHBondContact NH2-OD1 2.82Å; R47-D121 IonicContact NH2-OD2 3.49Å; A117-D121 CarbonylContact O-C 3.27Å; A117-D121 PolarHBondContact O-N 3.01Å; A117-D121 VanDerWaalsContact O-N 3.11Å; L118-D121 PolarHBondContact O-N 3.06Å; D121-H123 PolarHBondContact O-N 3.03Å; D121-H123 IonicContact OD1-CE1 3.29Å; D121-L124 HydrophobicContact CB-CD1 4.08Å; D121-L124 HydrophobicContact CB-CG 4.41Å; D121-L124 WeakPolarHBondContact O-CB 3.38Å; D121-L124 PolarHBondContact O-N 3.38Å; D121-Y125 HydrophobicContact CB-CD2 4.36Å; D121-Y125 HydrophobicContact CB-CE2 3.98Å; D121-Y125 WeakPolarHBondContact O-CD2 3.35Å
122F93.9Very high92.3Very high2 Ų219.4 Ų19.41%0.00910%0.097CC..Hα-helixtrans-57.9-35.5174.5-90-111.3000112.1V36 V38 W43 F97 L112 A117 L120 L124 Y125 E126 A129V36-F122 HydrophobicContact CG1-CE2 3.71Å; V36-F122 HydrophobicContact CG1-CZ 4.03Å; V38-F122 HydrophobicContact CG2-CE1 4.21Å; V38-F122 HydrophobicContact CG2-CZ 4.01Å; W43-F122 HydrophobicContact CH2-CD2 4.42Å; W43-F122 HydrophobicContact CH2-CE1 4.28Å; W43-F122 HydrophobicContact CH2-CE2 4.21Å; W43-F122 HydrophobicContact CH2-CZ 4.12Å; W43-F122 AromaticContact CZ2-CD2 3.72Å; W43-F122 HydrophobicContact CZ2-CD2 3.72Å; W43-F122 HydrophobicContact CZ2-CE1 4.49Å; W43-F122 AromaticContact CZ2-CE2 3.72Å; W43-F122 HydrophobicContact CZ2-CE2 3.72Å; W43-F122 HydrophobicContact CZ2-CG 4.13Å; W43-F122 HydrophobicContact CZ2-CZ 4.1Å; F97-F122 HydrophobicContact CE2-CE2 4.07Å; F97-F122 AromaticContact CE2-CZ 3.81Å; F97-F122 HydrophobicContact CE2-CZ 3.81Å; F97-F122 HydrophobicContact CZ-CZ 4.18Å; L112-F122 HydrophobicContact CD1-CD1 3.61Å; L112-F122 HydrophobicContact CD1-CD2 3.8Å; L112-F122 HydrophobicContact CD1-CE1 3.55Å; L112-F122 HydrophobicContact CD1-CE2 3.7Å; L112-F122 HydrophobicContact CD1-CG 3.76Å; L112-F122 HydrophobicContact CD1-CZ 3.59Å; A117-F122 HydrophobicContact CB-CB 3.96Å; A117-F122 PolarHBondContact O-N 3.46Å; L120-F122 HydrophobicContact CB-CD2 3.65Å; L120-F122 HydrophobicContact CB-CE2 3.9Å; L120-F122 HydrophobicContact CD1-CD2 4.47Å; L120-F122 HydrophobicContact CD1-CE2 4.05Å; L120-F122 PolarHBondContact O-N 3.21Å; F122-L124 PolarHBondContact O-N 2.85Å; F122-Y125 PolarHBondContact O-N 3.11Å; F122-E126 HydrophobicContact CB-CB 4.24Å; F122-E126 HydrophobicContact CD1-CB 3.51Å; F122-E126 HydrophobicContact CD1-CG 3.71Å; F122-E126 HydrophobicContact CE1-CB 4.26Å; F122-E126 HydrophobicContact CE1-CG 4.12Å; F122-E126 HydrophobicContact CG-CB 4.25Å; F122-E126 PolarHBondContact O-N 3.27Å; F122-A129 HydrophobicContact CB-CB 3.89Å
123H92.3Very high92.4Very high29 Ų2922.2 Ų22.213%0.13411%0.11CC..Hα-helixtrans-58.7-12175.869.2-70.6000114.7L118 D121 A129 I130 H133L118-H123 HydrophobicContact CD2-CB 4.23Å; D121-H123 PolarHBondContact O-N 3.03Å; D121-H123 IonicContact OD1-CE1 3.29Å; H123-A129 HydrophobicContact CB-CB 4.47Å; H123-I130 WeakPolarHBondContact O-CA 3.46Å; H123-I130 VanDerWaalsContact O-CG1 3.27Å; H123-I130 WeakPolarHBondContact O-CG1 3Å; H123-H133 HydrophobicContact CB-CB 4.2Å
124L92.3Very high92.5Very high72 Ų7221 Ų2138%0.37710%0.102SC..Hα-helixtrans-100.4-18.4175.9-56.2-177.8000113.3D121 F122 L153D121-L124 HydrophobicContact CB-CD1 4.08Å; D121-L124 HydrophobicContact CB-CG 4.41Å; D121-L124 WeakPolarHBondContact O-CB 3.38Å; D121-L124 PolarHBondContact O-N 3.38Å; F122-L124 PolarHBondContact O-N 2.85Å; L124-L153 WeakPolarHBondContact O-CD2 3.3Å
125Y93.2Very high92.6Very high10 Ų1019.3 Ų19.34%0.03910%0.095CC..Hα-helixtrans-137.8-17.3-164.2-52-58.5000115.9W43 D121 F122 L153 A200 G201 S202 I205W43-Y125 HydrophobicContact CB-CD2 4Å; W43-Y125 HydrophobicContact CB-CE2 3.81Å; W43-Y125 AromaticContact CD1-CD2 3.49Å; W43-Y125 VanDerWaalsContact CD1-CD2 3.49Å; W43-Y125 AromaticContact CD1-CE2 3.43Å; W43-Y125 VanDerWaalsContact CD1-CE2 3.43Å; W43-Y125 AromaticContact CD2-CD2 3.49Å; W43-Y125 HydrophobicContact CD2-CD2 3.49Å; W43-Y125 VanDerWaalsContact CD2-CD2 3.49Å; W43-Y125 HydrophobicContact CD2-CE2 4.14Å; W43-Y125 HydrophobicContact CD2-CG 4.04Å; W43-Y125 AromaticContact CE2-CD2 3.6Å; W43-Y125 HydrophobicContact CE3-CD2 4.16Å; W43-Y125 HydrophobicContact CE3-CG 4.26Å; W43-Y125 AromaticContact CG-CD2 3.41Å; W43-Y125 HydrophobicContact CG-CD2 3.41Å; W43-Y125 VanDerWaalsContact CG-CD2 3.41Å; W43-Y125 AromaticContact CG-CE2 3.53Å; W43-Y125 HydrophobicContact CG-CE2 3.53Å; W43-Y125 HydrophobicContact CG-CG 4.21Å; W43-Y125 HydrophobicContact CZ2-CD2 4.32Å; W43-Y125 AromaticContact NE1-CD2 3.6Å; W43-Y125 AromaticContact NE1-CE2 3.93Å; D121-Y125 HydrophobicContact CB-CD2 4.36Å; D121-Y125 HydrophobicContact CB-CE2 3.98Å; D121-Y125 WeakPolarHBondContact O-CD2 3.35Å; F122-Y125 PolarHBondContact O-N 3.11Å; Y125-L153 HydrophobicContact CD1-CD2 4.31Å; Y125-A200 HydrophobicContact CD1-CB 4.45Å; Y125-A200 HydrophobicContact CE1-CB 4.21Å; Y125-A200 WeakPolarHBondContact CE1-O 3.35Å; Y125-G201 WeakPolarHBondContact OH-CA 2.81Å; Y125-S202 PolarHBondContact OH-N 2.95Å; Y125-I205 HydrophobicContact CD1-CD1 4.09Å; Y125-I205 HydrophobicContact CG-CD1 4.43Å
126E92.1Very high92.5Very high2 Ų217.6 Ų17.61%0.0099%0.087CC..BIsolated β-bridgetrans-108.4137.4-178.9-167.8-74.1140.300110.2A2 C3 F4 F122 H128 A129 I130A2-E126 HydrophobicContact CB-CG 4.42Å; A2-E126 WeakPolarHBondContact O-CG 3.46Å; C3-E126 VanDerWaalsContact CA-OE1 3.31Å; C3-E126 WeakPolarHBondContact CA-OE1 3.43Å; F4-E126 PolarHBondContact N-OE1 2.97Å; F122-E126 HydrophobicContact CB-CB 4.24Å; F122-E126 HydrophobicContact CD1-CB 3.51Å; F122-E126 HydrophobicContact CD1-CG 3.71Å; F122-E126 HydrophobicContact CE1-CB 4.26Å; F122-E126 HydrophobicContact CE1-CG 4.12Å; F122-E126 HydrophobicContact CG-CB 4.25Å; F122-E126 PolarHBondContact O-N 3.27Å; E126-H128 VanDerWaalsContact CD-N 3.33Å; E126-H128 PolarHBondContact O-N 3.41Å; E126-H128 IonicContact OE1-CG 2.73Å; E126-H128 PolarHBondContact OE1-N 3.34Å; E126-H128 IonicContact OE1-ND1 3.26Å; E126-H128 PolarHBondContact OE1-ND1 2.82Å; E126-H128 WeakPolarHBondContact OE2-CA 3.28Å; E126-H128 WeakPolarHBondContact OE2-CB 3.41Å; E126-H128 PolarHBondContact OE2-N 2.95Å; E126-A129 HydrophobicContact CB-CB 4.48Å; E126-A129 PolarHBondContact O-N 2.85Å; E126-A129 PolarHBondContact OE2-N 3Å; E126-I130 WeakPolarHBondContact O-CB 3.15Å; E126-I130 WeakPolarHBondContact O-CD1 3.49Å; E126-I130 WeakPolarHBondContact O-CG1 3.18Å; E126-I130 PolarHBondContact O-N 3.44Å
127V91.1Very high92.3Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-53.9-50.6-169.41710000113.1M1 A2 V131 A157 E160 R161 F164M1-V127 HydrophobicContact CB-CG2 3.95Å; M1-V127 HydrophobicContact CE-CG2 3.72Å; M1-V127 HydrophobicContact SD-CG2 3.93Å; A2-V127 PolarHBondContact O-N 2.68Å; V127-V131 VanDerWaalsContact O-CG2 3.3Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 2.92Å; V127-A157 HydrophobicContact CG1-CB 4.47Å; V127-A157 WeakPolarHBondContact CG1-O 3.3Å; V127-E160 HydrophobicContact CG1-CB 4.14Å; V127-E160 HydrophobicContact CG2-CB 4.44Å; V127-R161 HydrophobicContact CG1-CB 4.03Å; V127-F164 HydrophobicContact CG1-CE2 4.45Å
128H90.4Very high92.1Very high2 Ų219.2 Ų19.21%0.00910%0.096CC..Hα-helixtrans-68.4-49.5-176.7-6474.3000110.5S110 E126 I130 V131 E132 R161 E166S110-H128 PolarHBondContact OG-CD2 2.78Å; E126-H128 VanDerWaalsContact CD-N 3.33Å; E126-H128 PolarHBondContact O-N 3.41Å; E126-H128 IonicContact OE1-CG 2.73Å; E126-H128 PolarHBondContact OE1-N 3.34Å; E126-H128 IonicContact OE1-ND1 3.26Å; E126-H128 PolarHBondContact OE1-ND1 2.82Å; E126-H128 WeakPolarHBondContact OE2-CA 3.28Å; E126-H128 WeakPolarHBondContact OE2-CB 3.41Å; E126-H128 PolarHBondContact OE2-N 2.95Å; H128-I130 VanDerWaalsContact C-N 3.29Å; H128-I130 PolarHBondContact O-N 2.98Å; H128-V131 PolarHBondContact O-N 2.79Å; H128-V131 VanDerWaalsContact O-N 3.09Å; H128-E132 WeakPolarHBondContact O-CB 3.32Å; H128-E132 VanDerWaalsContact O-CG 3.25Å; H128-E132 WeakPolarHBondContact O-CG 3.4Å; H128-E132 PolarHBondContact O-N 3.49Å; H128-R161 PolarHBondContact CD2-NE 3.06Å; H128-R161 VanDerWaalsContact CD2-NE 3.31Å; H128-E166 IonicContact NE2-OE2 3.64Å; H128-E166 PolarHBondContact NE2-OE2 2.92Å
129A91.6Very high91.6Very high2 Ų218.3 Ų18.32%0.01710%0.097CC..Hα-helixtrans-63.8-33.8-176.800000112.9A117 F122 H123 E126 H133A117-A129 HydrophobicContact CB-CB 4.44Å; F122-A129 HydrophobicContact CB-CB 3.89Å; H123-A129 HydrophobicContact CB-CB 4.47Å; E126-A129 HydrophobicContact CB-CB 4.48Å; E126-A129 PolarHBondContact O-N 2.85Å; E126-A129 PolarHBondContact OE2-N 3Å; A129-H133 WeakPolarHBondContact O-CB 3.46Å; A129-H133 PolarHBondContact O-N 2.87Å; A129-H133 VanDerWaalsContact O-N 3.08Å
130I93.1Very high91.1Very high4 Ų421 Ų212%0.02112%0.116CC..Hα-helixtrans-63.1-50.7171.9-70.6163000110M1 H123 E126 H128 E132 H133 L134 L153 E154 A157M1-I130 HydrophobicContact CE-CD1 4.26Å; H123-I130 WeakPolarHBondContact O-CA 3.46Å; H123-I130 VanDerWaalsContact O-CG1 3.27Å; H123-I130 WeakPolarHBondContact O-CG1 3Å; E126-I130 WeakPolarHBondContact O-CB 3.15Å; E126-I130 WeakPolarHBondContact O-CD1 3.49Å; E126-I130 WeakPolarHBondContact O-CG1 3.18Å; E126-I130 PolarHBondContact O-N 3.44Å; H128-I130 VanDerWaalsContact C-N 3.29Å; H128-I130 PolarHBondContact O-N 2.98Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.5Å; I130-H133 WeakPolarHBondContact O-CB 3.46Å; I130-H133 PolarHBondContact O-N 3.46Å; I130-L134 HydrophobicContact CG2-CD1 4.18Å; I130-L134 WeakPolarHBondContact O-CG 3.39Å; I130-L134 PolarHBondContact O-N 3.2Å; I130-L153 HydrophobicContact CD1-CD2 4.48Å; I130-L153 HydrophobicContact CD1-CG 4.12Å; I130-E154 HydrophobicContact CG2-CB 4.34Å; I130-E154 HydrophobicContact CG2-CG 3.93Å; I130-A157 HydrophobicContact CB-CB 3.95Å; I130-A157 HydrophobicContact CD1-CB 3.93Å; I130-A157 HydrophobicContact CG2-CB 3.75Å
131V93Very high90.2Very high4 Ų423 Ų232%0.02414%0.135CC..Hα-helixtrans-68.2-36.3-174.8177.50000111.6V127 H128 L134 A135 A157 I158 R161 L179 V182V127-V131 VanDerWaalsContact O-CG2 3.3Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 2.92Å; H128-V131 PolarHBondContact O-N 2.79Å; H128-V131 VanDerWaalsContact O-N 3.09Å; V131-L134 PolarHBondContact O-N 2.78Å; V131-A135 WeakPolarHBondContact O-CB 3Å; V131-A135 PolarHBondContact O-N 3.03Å; V131-A157 HydrophobicContact CG2-CB 4.09Å; V131-I158 HydrophobicContact CG2-CG1 4.25Å; V131-R161 HydrophobicContact CB-CB 4.42Å; V131-R161 HydrophobicContact CB-CG 4.26Å; V131-R161 HydrophobicContact CG1-CB 4.43Å; V131-R161 HydrophobicContact CG1-CG 4.06Å; V131-R161 HydrophobicContact CG2-CB 3.85Å; V131-R161 HydrophobicContact CG2-CG 4.24Å; V131-L179 HydrophobicContact CG1-CD1 3.43Å; V131-L179 VanDerWaalsContact CG1-CD1 3.43Å; V131-V182 HydrophobicContact CG1-CG2 4.12Å
132E91.4Very high89.3Confident8 Ų829.8 Ų29.84%0.03716%0.164CC..Hα-helixtrans-62.7-41.2171.4-70.5165.3-168.400112.2S111 H128 I130 L134 A135 E136 G170 C171 F177S111-E132 VanDerWaalsContact CB-OE1 3.25Å; S111-E132 WeakPolarHBondContact CB-OE1 3.45Å; S111-E132 PolarHBondContact OG-OE1 3.29Å; H128-E132 WeakPolarHBondContact O-CB 3.32Å; H128-E132 VanDerWaalsContact O-CG 3.25Å; H128-E132 WeakPolarHBondContact O-CG 3.4Å; H128-E132 PolarHBondContact O-N 3.49Å; I130-E132 VanDerWaalsContact C-N 3.34Å; I130-E132 PolarHBondContact O-N 3.5Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.93Å; E132-A135 PolarHBondContact O-N 2.85Å; E132-E136 WeakPolarHBondContact O-CB 3.41Å; E132-E136 PolarHBondContact O-N 3.39Å; E132-G170 VanDerWaalsContact OE1-C 3.25Å; E132-G170 WeakPolarHBondContact OE1-CA 3.49Å; E132-C171 VanDerWaalsContact CD-SG 3.59Å; E132-C171 PolarHBondContact OE1-N 3.09Å; E132-C171 VanDerWaalsContact OE2-CB 3.29Å; E132-C171 WeakPolarHBondContact OE2-CB 3.33Å; E132-C171 PolarHBondContact OE2-SG 3.47Å; E132-F177 HydrophobicContact CB-CD1 4.42Å; E132-F177 HydrophobicContact CG-CB 4.42Å
133H91.4Very high88.3Confident62 Ų6232.6 Ų32.629%0.28718%0.178SC..Hα-helixtrans-63.3-39176.2-173.867.6000111.8R114 H123 A129 I130 T137R114-H133 PolarHBondContact NH2-ND1 2.98Å; H123-H133 HydrophobicContact CB-CB 4.2Å; A129-H133 WeakPolarHBondContact O-CB 3.46Å; A129-H133 PolarHBondContact O-N 2.87Å; A129-H133 VanDerWaalsContact O-N 3.08Å; I130-H133 WeakPolarHBondContact O-CB 3.46Å; I130-H133 PolarHBondContact O-N 3.46Å; H133-T137 WeakPolarHBondContact O-CB 3.45Å; H133-T137 PolarHBondContact O-N 2.78Å; H133-T137 VanDerWaalsContact O-N 3.09Å; H133-T137 PolarHBondContact O-OG1 3.14Å
134L91.8Very high87.1Confident8 Ų836 Ų364%0.04221%0.206CC..Hα-helixtrans-67.4-43.8173.8-68174.6000111.7I130 V131 E132 E136 T137 F138 L150 E154 I158 V182I130-L134 HydrophobicContact CG2-CD1 4.18Å; I130-L134 WeakPolarHBondContact O-CG 3.39Å; I130-L134 PolarHBondContact O-N 3.2Å; V131-L134 PolarHBondContact O-N 2.78Å; E132-L134 VanDerWaalsContact C-N 3.3Å; E132-L134 PolarHBondContact O-N 2.93Å; L134-E136 PolarHBondContact O-N 3.41Å; L134-T137 PolarHBondContact O-N 3.49Å; L134-T137 VanDerWaalsContact O-N 3.14Å; L134-F138 HydrophobicContact CB-CD2 4.44Å; L134-F138 HydrophobicContact CB-CE2 3.92Å; L134-F138 HydrophobicContact CB-CZ 4.21Å; L134-F138 HydrophobicContact CD2-CZ 4.13Å; L134-F138 VanDerWaalsContact O-CD2 3.24Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 WeakPolarHBondContact O-CG 3.36Å; L134-F138 PolarHBondContact O-N 2.64Å; L134-L150 HydrophobicContact CD1-CD2 4.43Å; L134-L150 HydrophobicContact CD2-CD2 4.06Å; L134-E154 HydrophobicContact CD1-CB 4.31Å; L134-I158 HydrophobicContact CD1-CD1 3.85Å; L134-I158 HydrophobicContact CD1-CG1 4.04Å; L134-V182 HydrophobicContact CB-CG2 4.32Å
135A90.9Very high86.5Confident0 Ų035.1 Ų35.10%021%0.213CC..Hα-helixtrans-55.7-49.917700000111.2V131 E132 T137 F138 A139 E176 V182V131-A135 WeakPolarHBondContact O-CB 3Å; V131-A135 PolarHBondContact O-N 3.03Å; E132-A135 PolarHBondContact O-N 2.85Å; A135-T137 VanDerWaalsContact C-N 3.32Å; A135-T137 PolarHBondContact O-N 2.94Å; A135-F138 PolarHBondContact O-N 3.36Å; A135-A139 VanDerWaalsContact O-CB 3.31Å; A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 3.19Å; A135-E176 CarbonylContact C-O 3.12Å; A135-V182 HydrophobicContact CB-CG2 3.75Å
136E88.9Confident86.1Confident55 Ų5538.8 Ų38.826%0.25723%0.231SC..Hα-helixtrans-59.4-43.4176.2-176.7-172.7178.300111.5R114 E132 L134 F138 A139 T140 E176 F177R114-E136 IonicContact CZ-OE2 3.84Å; R114-E136 VanDerWaalsContact CZ-OE2 3.3Å; R114-E136 IonicContact NE-OE2 3.6Å; R114-E136 PolarHBondContact NE-OE2 3.27Å; R114-E136 IonicContact NH2-OE2 3.85Å; R114-E136 PolarHBondContact NH2-OE2 2.76Å; E132-E136 WeakPolarHBondContact O-CB 3.41Å; E132-E136 PolarHBondContact O-N 3.39Å; L134-E136 PolarHBondContact O-N 3.41Å; E136-F138 VanDerWaalsContact C-N 3.32Å; E136-F138 PolarHBondContact O-N 3.08Å; E136-A139 PolarHBondContact O-N 2.87Å; E136-T140 WeakPolarHBondContact O-CB 3.41Å; E136-T140 VanDerWaalsContact O-CG2 3.24Å; E136-T140 WeakPolarHBondContact O-CG2 3.44Å; E136-T140 PolarHBondContact O-N 2.98Å; E136-T140 PolarHBondContact O-OG1 2.99Å; E136-E176 WeakPolarHBondContact CA-O 3.15Å; E136-E176 PolarHBondContact N-O 2.96Å; E136-F177 HydrophobicContact CB-CD1 4.09Å; E136-F177 HydrophobicContact CB-CE1 3.93Å; E136-F177 HydrophobicContact CG-CE1 4.07Å
137T87.8Confident86Confident22 Ų2244.9 Ų44.914%0.13526%0.259CS..Hα-helixtrans-65.3-37-179.6-580000112.1H133 L134 A135 T140 K142 I143H133-T137 WeakPolarHBondContact O-CB 3.45Å; H133-T137 PolarHBondContact O-N 2.78Å; H133-T137 VanDerWaalsContact O-N 3.09Å; H133-T137 PolarHBondContact O-OG1 3.14Å; L134-T137 PolarHBondContact O-N 3.49Å; L134-T137 VanDerWaalsContact O-N 3.14Å; A135-T137 VanDerWaalsContact C-N 3.32Å; A135-T137 PolarHBondContact O-N 2.94Å; T137-T140 PolarHBondContact O-OG1 3.48Å; T137-K142 HydrophobicContact CG2-CB 4.2Å; T137-K142 PolarHBondContact O-N 2.83Å; T137-I143 HydrophobicContact CG2-CD1 3.51Å; T137-I143 HydrophobicContact CG2-CG1 3.71Å
138F88.2Confident86.2Confident14 Ų1445.2 Ų45.26%0.06126%0.261CS..Hα-helixtrans-76.6-39.9177.4-59.2-27000111.9L134 A135 E136 T140 G141 I143 L148 V182 F185 I186L134-F138 HydrophobicContact CB-CD2 4.44Å; L134-F138 HydrophobicContact CB-CE2 3.92Å; L134-F138 HydrophobicContact CB-CZ 4.21Å; L134-F138 HydrophobicContact CD2-CZ 4.13Å; L134-F138 VanDerWaalsContact O-CD2 3.24Å; L134-F138 WeakPolarHBondContact O-CD2 3.34Å; L134-F138 WeakPolarHBondContact O-CG 3.36Å; L134-F138 PolarHBondContact O-N 2.64Å; A135-F138 PolarHBondContact O-N 3.36Å; E136-F138 VanDerWaalsContact C-N 3.32Å; E136-F138 PolarHBondContact O-N 3.08Å; F138-T140 PolarHBondContact O-N 3Å; F138-G141 PolarHBondContact O-N 2.78Å; F138-I143 HydrophobicContact CD1-CB 4.43Å; F138-I143 HydrophobicContact CE1-CD1 4.13Å; F138-L148 HydrophobicContact CE1-CD1 3.96Å; F138-L148 HydrophobicContact CZ-CD1 4.13Å; F138-L148 HydrophobicContact CZ-CD2 4.21Å; F138-V182 HydrophobicContact CD2-CB 4.45Å; F138-V182 HydrophobicContact CD2-CG2 4.07Å; F138-V182 HydrophobicContact CE2-CG1 4.23Å; F138-V182 HydrophobicContact CE2-CG2 4.27Å; F138-F185 HydrophobicContact CB-CB 4.17Å; F138-F185 HydrophobicContact CB-CD1 4.42Å; F138-F185 HydrophobicContact CB-CD2 4.1Å; F138-F185 HydrophobicContact CB-CG 3.98Å; F138-F185 AromaticContact CD1-CD1 3.62Å; F138-F185 HydrophobicContact CD1-CD1 3.62Å; F138-F185 HydrophobicContact CD1-CD2 4.42Å; F138-F185 AromaticContact CD1-CE1 3.61Å; F138-F185 HydrophobicContact CD1-CE1 3.61Å; F138-F185 HydrophobicContact CD1-CE2 4.42Å; F138-F185 HydrophobicContact CD1-CG 4.05Å; F138-F185 HydrophobicContact CD1-CZ 4.04Å; F138-F185 HydrophobicContact CD2-CB 3.95Å; F138-F185 AromaticContact CD2-CD1 3.84Å; F138-F185 HydrophobicContact CD2-CD1 3.84Å; F138-F185 AromaticContact CD2-CG 4Å; F138-F185 HydrophobicContact CD2-CG 4Å; F138-F185 AromaticContact CE1-CD1 3.73Å; F138-F185 HydrophobicContact CE1-CD1 3.73Å; F138-F185 AromaticContact CE1-CE1 3.6Å; F138-F185 HydrophobicContact CE1-CE1 3.6Å; F138-F185 HydrophobicContact CE1-CZ 4.37Å; F138-F185 AromaticContact CE2-CD1 3.93Å; F138-F185 HydrophobicContact CE2-CD1 3.93Å; F138-F185 HydrophobicContact CG-CB 4.09Å; F138-F185 AromaticContact CG-CD1 3.69Å; F138-F185 HydrophobicContact CG-CD1 3.69Å; F138-F185 HydrophobicContact CG-CD2 4.24Å; F138-F185 HydrophobicContact CG-CE1 4.16Å; F138-F185 AromaticContact CG-CG 3.74Å; F138-F185 HydrophobicContact CG-CG 3.74Å; F138-F185 AromaticContact CZ-CD1 3.88Å; F138-F185 HydrophobicContact CZ-CD1 3.88Å; F138-F185 HydrophobicContact CZ-CE1 4.13Å; F138-I186 HydrophobicContact CE2-CG2 4.36Å
139A84.5Confident86.3Confident45 Ų4548.5 Ų48.537%0.37228%0.284SS..Hα-helixtrans-64-39.3177.200000112.2A135 E136 G141A135-A139 VanDerWaalsContact O-CB 3.31Å; A135-A139 WeakPolarHBondContact O-CB 3.21Å; A135-A139 PolarHBondContact O-N 3.19Å; E136-A139 PolarHBondContact O-N 2.87Å; A139-G141 PolarHBondContact O-N 2.83Å
140T83.6Confident86.4Confident74 Ų7448.6 Ų48.645%0.45428%0.284SS..THydrogen-bonded Turntrans-73.2-8.4177.955.10000113.9E136 T137 F138 K142E136-T140 WeakPolarHBondContact O-CB 3.41Å; E136-T140 VanDerWaalsContact O-CG2 3.24Å; E136-T140 WeakPolarHBondContact O-CG2 3.44Å; E136-T140 PolarHBondContact O-N 2.98Å; E136-T140 PolarHBondContact O-OG1 2.99Å; T137-T140 PolarHBondContact O-OG1 3.48Å; F138-T140 PolarHBondContact O-N 3Å; T140-K142 PolarHBondContact O-N 2.81Å
141G78Confident86.4Confident40 Ų4050.2 Ų50.241%0.41230%0.295SS..THydrogen-bonded Turntrans67.611.4-177.700000114.4F138 A139 I143F138-G141 PolarHBondContact O-N 2.78Å; A139-G141 PolarHBondContact O-N 2.83Å; G141-I143 PolarHBondContact O-N 2.89Å
142K75.7Confident86.4Confident171 Ų17150 Ų5074%0.74329%0.294SS*.SBendtrans-57-35175.8-88.1-177-179.5170.10112T137 T140T137-K142 HydrophobicContact CG2-CB 4.2Å; T137-K142 PolarHBondContact O-N 2.83Å; T140-K142 PolarHBondContact O-N 2.81Å
143I72.2Confident86.5Confident60 Ų6050 Ų5031%0.30829%0.293SS..SBendtrans-107.1108.2168.9-58.6175.2000106T137 F138 G141 L148 F185T137-I143 HydrophobicContact CG2-CD1 3.51Å; T137-I143 HydrophobicContact CG2-CG1 3.71Å; F138-I143 HydrophobicContact CD1-CB 4.43Å; F138-I143 HydrophobicContact CE1-CD1 4.13Å; G141-I143 PolarHBondContact O-N 2.89Å; I143-L148 HydrophobicContact CG2-CD1 4.25Å; I143-F185 HydrophobicContact CB-CZ 4.47Å; I143-F185 HydrophobicContact CG2-CE1 4.36Å; I143-F185 HydrophobicContact CG2-CZ 3.99Å; I143-F185 WeakPolarHBondContact O-CE2 3.28Å; I143-F185 WeakPolarHBondContact O-CZ 3.32Å
144S66.9Low86.6Confident102 Ų10249.5 Ų49.571%0.71329%0.291SS*.  trans-122.6142.6176.3530000109.7
145G79.7Confident86.7Confident52 Ų5249.1 Ų49.154%0.53629%0.289SS..SBendtrans119.3-177.7179.200000113.7
146E85.5Confident86.9Confident88 Ų8849.8 Ų49.841%0.41129%0.292SS..SBendtrans-93.14.2-175.9-58.8-173.8157.600113.1R190 E191E146-R190 HydrophobicContact CB-CB 4.02Å; E146-R190 HydrophobicContact CB-CG 4.07Å; E146-R190 VanDerWaalsContact CD-CZ 3.45Å; E146-R190 VanDerWaalsContact CD-NH1 3.33Å; E146-R190 HydrophobicContact CG-CG 4.28Å; E146-R190 PolarHBondContact O-N 3.4Å; E146-R190 IonicContact OE1-CZ 3.76Å; E146-R190 IonicContact OE1-NE 3.54Å; E146-R190 PolarHBondContact OE1-NE 3.49Å; E146-R190 IonicContact OE1-NH1 3.58Å; E146-R190 PolarHBondContact OE1-NH1 3.4Å; E146-R190 IonicContact OE1-NH2 3.65Å; E146-R190 PolarHBondContact OE1-NH2 3.33Å; E146-R190 WeakPolarHBondContact OE2-CD 3.47Å; E146-R190 IonicContact OE2-CZ 2.83Å; E146-R190 VanDerWaalsContact OE2-CZ 3.29Å; E146-R190 IonicContact OE2-NE 2.73Å; E146-R190 PolarHBondContact OE2-NE 2.97Å; E146-R190 IonicContact OE2-NH1 2.99Å; E146-R190 PolarHBondContact OE2-NH1 3.37Å; E146-E191 PolarHBondContact O-N 3Å
147Q91.1Very high87.1Confident129 Ų12947.1 Ų47.160%0.60328%0.28SS*.EExtended strand (participates in β ladder)trans-110130.9-179.4-57.4-171.5-24.300110.8E191Q147-E191 CarbonylContact C-O 3.6Å; Q147-E191 WeakPolarHBondContact CA-O 3.3Å; Q147-E191 HydrophobicContact CB-CB 4.43Å; Q147-E191 HydrophobicContact CG-CB 4.01Å; Q147-E191 HydrophobicContact CG-CG 4.32Å; Q147-E191 PolarHBondContact NE2-OE2 3.33Å
148L93.7Very high87.4Confident8 Ų846.2 Ų46.24%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-136.7136.2178.8-178.161.7000110.4F138 I143 L150 F185 I186 I189 E191 L192 K193 F217F138-L148 HydrophobicContact CE1-CD1 3.96Å; F138-L148 HydrophobicContact CZ-CD1 4.13Å; F138-L148 HydrophobicContact CZ-CD2 4.21Å; I143-L148 HydrophobicContact CG2-CD1 4.25Å; L148-L150 HydrophobicContact CD1-CD2 4.36Å; L148-L150 HydrophobicContact CD1-CG 4.38Å; L148-L150 HydrophobicContact CD2-CD1 3.74Å; L148-L150 HydrophobicContact CD2-CG 4.03Å; L148-L150 HydrophobicContact CG-CD1 4.23Å; L148-L150 HydrophobicContact CG-CD2 4.45Å; L148-L150 HydrophobicContact CG-CG 3.95Å; L148-F185 HydrophobicContact CD1-CE1 4.34Å; L148-F185 HydrophobicContact CD2-CE1 4.41Å; L148-I186 HydrophobicContact CD2-CG2 4.22Å; L148-I189 HydrophobicContact CB-CD1 3.8Å; L148-I189 HydrophobicContact CB-CG1 3.96Å; L148-I189 HydrophobicContact CB-CG2 4.01Å; L148-I189 HydrophobicContact CD2-CD1 4.49Å; L148-I189 HydrophobicContact CD2-CG1 4.04Å; L148-E191 PolarHBondContact N-O 3.27Å; L148-L192 HydrophobicContact CB-CD1 4.45Å; L148-L192 HydrophobicContact CG-CD1 4.45Å; L148-L192 CarbonylContact O-C 3.56Å; L148-L192 WeakPolarHBondContact O-CA 3.48Å; L148-K193 PolarHBondContact O-N 3.49Å; L148-F217 HydrophobicContact CD2-CE1 4.4Å
149S93.4Very high87.6Confident70 Ų7045.8 Ų45.849%0.4927%0.273SS..EExtended strand (participates in β ladder)trans-113.7126.1171.7-175.30000109.1K193S149-K193 CarbonylContact C-O 3.5Å; S149-K193 VanDerWaalsContact CA-O 3.29Å; S149-K193 WeakPolarHBondContact CA-O 3.29Å
150L93.4Very high87.9Confident4 Ų445.7 Ų45.72%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-133.2153.5177-67.2174.4000110.9L134 L148 E154 L155 I158 L192 K193 I194 C195 F217L134-L150 HydrophobicContact CD1-CD2 4.43Å; L134-L150 HydrophobicContact CD2-CD2 4.06Å; L148-L150 HydrophobicContact CD1-CD2 4.36Å; L148-L150 HydrophobicContact CD1-CG 4.38Å; L148-L150 HydrophobicContact CD2-CD1 3.74Å; L148-L150 HydrophobicContact CD2-CG 4.03Å; L148-L150 HydrophobicContact CG-CD1 4.23Å; L148-L150 HydrophobicContact CG-CD2 4.45Å; L148-L150 HydrophobicContact CG-CG 3.95Å; L150-E154 WeakPolarHBondContact CA-OE2 3.33Å; L150-E154 HydrophobicContact CB-CB 4.39Å; L150-E154 HydrophobicContact CD2-CB 4.09Å; L150-L155 HydrophobicContact CB-CD1 4.29Å; L150-L155 HydrophobicContact CB-CD2 4.29Å; L150-L155 HydrophobicContact CB-CG 3.91Å; L150-L155 HydrophobicContact CD1-CD2 3.61Å; L150-L155 HydrophobicContact CD1-CG 4.08Å; L150-I158 HydrophobicContact CD1-CD1 3.89Å; L150-L192 HydrophobicContact CD1-CD1 4.38Å; L150-K193 PolarHBondContact N-O 2.88Å; L150-I194 WeakPolarHBondContact O-CA 3.46Å; L150-C195 PolarHBondContact O-N 2.76Å; L150-C195 VanDerWaalsContact O-N 3.16Å; L150-F217 HydrophobicContact CD1-CZ 4.36Å
151T92.9Very high88.2Confident39 Ų3942.5 Ų42.524%0.23925%0.245CC..  trans-81.8156.7168.262.30000110.4L153 E154 L155T151-L153 PolarHBondContact O-N 3.01Å; T151-E154 WeakPolarHBondContact CB-OE2 3.42Å; T151-E154 PolarHBondContact N-OE2 3.15Å; T151-E154 PolarHBondContact O-N 3.4Å; T151-E154 VanDerWaalsContact OG1-CG 3.31Å; T151-E154 WeakPolarHBondContact OG1-CG 3.36Å; T151-E154 PolarHBondContact OG1-N 3.28Å; T151-E154 VanDerWaalsContact OG1-N 3.15Å; T151-E154 PolarHBondContact OG1-OE2 2.96Å; T151-L155 PolarHBondContact O-N 3.46Å
152P93.2Very high88.7Confident0 Ų043 Ų430%024%0.236CC..Hα-helixtrans-54.3-31.8168.7-29.237.6000113.3H156 I194 C195 Q207 F212 C228P152-H156 VanDerWaalsContact O-CB 3.26Å; P152-H156 WeakPolarHBondContact O-CB 3.37Å; P152-H156 PolarHBondContact O-N 2.98Å; P152-I194 HydrophobicContact CG-CG2 4.05Å; P152-C195 WeakPolarHBondContact CD-O 3.41Å; P152-Q207 HydrophobicContact CB-CB 4.44Å; P152-Q207 WeakPolarHBondContact CB-O 3.43Å; P152-F212 HydrophobicContact CB-CD1 4.38Å; P152-F212 HydrophobicContact CB-CE1 3.92Å; P152-F212 HydrophobicContact CG-CE1 4.5Å; P152-C228 HydrophobicContact CG-CB 4.05Å
153L93Very high89.3Confident6 Ų641.7 Ų41.73%0.03123%0.23CC..Hα-helixtrans-65.8-47.2177.8-178.660.5000112.1M1 L124 Y125 I130 T151 H156 A157 A200 I205 Q207 L210M1-L153 HydrophobicContact CE-CD1 3.32Å; M1-L153 HydrophobicContact CE-CG 4.28Å; M1-L153 HydrophobicContact CG-CD1 4.41Å; M1-L153 HydrophobicContact SD-CD1 3.67Å; L124-L153 WeakPolarHBondContact O-CD2 3.3Å; Y125-L153 HydrophobicContact CD1-CD2 4.31Å; I130-L153 HydrophobicContact CD1-CD2 4.48Å; I130-L153 HydrophobicContact CD1-CG 4.12Å; T151-L153 PolarHBondContact O-N 3.01Å; L153-H156 PolarHBondContact O-N 3.25Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 3.47Å; L153-A200 HydrophobicContact CD2-CB 3.9Å; L153-I205 HydrophobicContact CD1-CD1 4.41Å; L153-I205 HydrophobicContact CD1-CG2 4Å; L153-I205 HydrophobicContact CD2-CD1 4.49Å; L153-Q207 HydrophobicContact CB-CB 4.01Å; L153-L210 HydrophobicContact CB-CD1 4.36Å; L153-L210 HydrophobicContact CD1-CD1 3.46Å; L153-L210 VanDerWaalsContact CD1-CD1 3.46Å
154E94.1Very high89.7Confident52 Ų5241.8 Ų41.824%0.24323%0.228CC..Hα-helixtrans-64-43.5176.3-71.2159.5140.600111.4I130 L134 L150 T151 H156 A157 I158I130-E154 HydrophobicContact CG2-CB 4.34Å; I130-E154 HydrophobicContact CG2-CG 3.93Å; L134-E154 HydrophobicContact CD1-CB 4.31Å; L150-E154 WeakPolarHBondContact CA-OE2 3.33Å; L150-E154 HydrophobicContact CB-CB 4.39Å; L150-E154 HydrophobicContact CD2-CB 4.09Å; T151-E154 WeakPolarHBondContact CB-OE2 3.42Å; T151-E154 PolarHBondContact N-OE2 3.15Å; T151-E154 PolarHBondContact O-N 3.4Å; T151-E154 VanDerWaalsContact OG1-CG 3.31Å; T151-E154 WeakPolarHBondContact OG1-CG 3.36Å; T151-E154 PolarHBondContact OG1-N 3.28Å; T151-E154 VanDerWaalsContact OG1-N 3.15Å; T151-E154 PolarHBondContact OG1-OE2 2.96Å; E154-H156 VanDerWaalsContact C-N 3.32Å; E154-H156 PolarHBondContact O-N 3.03Å; E154-A157 WeakPolarHBondContact O-CB 3.2Å; E154-A157 PolarHBondContact O-N 3.31Å; E154-I158 VanDerWaalsContact O-CG1 3.27Å; E154-I158 WeakPolarHBondContact O-CG1 3.35Å; E154-I158 PolarHBondContact O-N 2.89Å
155L94.7Very high89.9Confident1 Ų142.3 Ų42.31%0.00524%0.239CC..Hα-helixtrans-63.7-37.5176.7-72.4166.8000112.4L150 T151 S159 L192 I194 F212 F217L150-L155 HydrophobicContact CB-CD1 4.29Å; L150-L155 HydrophobicContact CB-CD2 4.29Å; L150-L155 HydrophobicContact CB-CG 3.91Å; L150-L155 HydrophobicContact CD1-CD2 3.61Å; L150-L155 HydrophobicContact CD1-CG 4.08Å; T151-L155 PolarHBondContact O-N 3.46Å; L155-S159 WeakPolarHBondContact O-CB 3.4Å; L155-S159 PolarHBondContact O-N 3.05Å; L155-S159 PolarHBondContact O-OG 3.36Å; L155-L192 HydrophobicContact CD2-CD2 4.43Å; L155-I194 HydrophobicContact CD1-CB 4.42Å; L155-I194 HydrophobicContact CD1-CD1 3.63Å; L155-I194 HydrophobicContact CD1-CG1 3.76Å; L155-I194 HydrophobicContact CD1-CG2 3.92Å; L155-F212 HydrophobicContact CB-CB 3.81Å; L155-F212 HydrophobicContact CB-CD1 4.03Å; L155-F212 HydrophobicContact CB-CD2 3.73Å; L155-F212 HydrophobicContact CB-CE2 4.29Å; L155-F212 HydrophobicContact CB-CG 3.58Å; L155-F212 HydrophobicContact CD1-CD2 3.91Å; L155-F212 HydrophobicContact CD1-CE1 4.42Å; L155-F212 HydrophobicContact CD1-CE2 3.62Å; L155-F212 HydrophobicContact CD1-CG 4.41Å; L155-F212 HydrophobicContact CD1-CZ 3.89Å; L155-F212 HydrophobicContact CG-CD2 4.32Å; L155-F217 HydrophobicContact CD2-CE2 3.78Å; L155-F217 HydrophobicContact CD2-CZ 3.65Å
156H93.7Very high89.6Confident13 Ų1343.3 Ų43.36%0.0623%0.229CC..Hα-helixtrans-65.3-46.1172.5-176.979.2000111P152 L153 E154 I158 S159 E160 L210 P211P152-H156 VanDerWaalsContact O-CB 3.26Å; P152-H156 WeakPolarHBondContact O-CB 3.37Å; P152-H156 PolarHBondContact O-N 2.98Å; L153-H156 PolarHBondContact O-N 3.25Å; E154-H156 VanDerWaalsContact C-N 3.32Å; E154-H156 PolarHBondContact O-N 3.03Å; H156-I158 PolarHBondContact O-N 3.13Å; H156-S159 PolarHBondContact O-N 3.06Å; H156-S159 VanDerWaalsContact O-N 3.16Å; H156-E160 WeakPolarHBondContact O-CB 3.06Å; H156-E160 WeakPolarHBondContact O-CG 2.95Å; H156-E160 PolarHBondContact O-N 3.34Å; H156-L210 HydrophobicContact CB-CB 3.87Å; H156-L210 HydrophobicContact CB-CD1 4.17Å; H156-P211 PolarHBondContact ND1-O 3.02Å
157A93.5Very high88.8Confident0 Ų042.7 Ų42.70%023%0.233CC..Hα-helixtrans-57.7-47.8177.300000111.6M1 V127 I130 V131 L153 E154 S159 E160 R161M1-A157 HydrophobicContact CE-CB 3.88Å; V127-A157 HydrophobicContact CG1-CB 4.47Å; V127-A157 WeakPolarHBondContact CG1-O 3.3Å; I130-A157 HydrophobicContact CB-CB 3.95Å; I130-A157 HydrophobicContact CD1-CB 3.93Å; I130-A157 HydrophobicContact CG2-CB 3.75Å; V131-A157 HydrophobicContact CG2-CB 4.09Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 3.47Å; E154-A157 WeakPolarHBondContact O-CB 3.2Å; E154-A157 PolarHBondContact O-N 3.31Å; A157-S159 PolarHBondContact O-N 3.49Å; A157-E160 PolarHBondContact O-N 2.79Å; A157-R161 VanDerWaalsContact O-CB 3.25Å; A157-R161 WeakPolarHBondContact O-CB 3.45Å; A157-R161 PolarHBondContact O-N 3.19Å
158I93.8Very high88Confident2 Ų238.7 Ų38.71%0.0122%0.219CC..Hα-helixtrans-53.8-56.9172.1-70.2170.3000109.5V131 L134 L150 E154 H156 E160 R161 F162 V182 I186V131-I158 HydrophobicContact CG2-CG1 4.25Å; L134-I158 HydrophobicContact CD1-CD1 3.85Å; L134-I158 HydrophobicContact CD1-CG1 4.04Å; L150-I158 HydrophobicContact CD1-CD1 3.89Å; E154-I158 VanDerWaalsContact O-CG1 3.27Å; E154-I158 WeakPolarHBondContact O-CG1 3.35Å; E154-I158 PolarHBondContact O-N 2.89Å; H156-I158 PolarHBondContact O-N 3.13Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.35Å; I158-R161 PolarHBondContact O-N 3.37Å; I158-R161 VanDerWaalsContact O-N 3.1Å; I158-F162 HydrophobicContact CG2-CD2 3.73Å; I158-F162 HydrophobicContact CG2-CE2 3.68Å; I158-F162 WeakPolarHBondContact O-CD2 3.39Å; I158-F162 PolarHBondContact O-N 3Å; I158-V182 HydrophobicContact CD1-CG1 4.37Å; I158-V182 HydrophobicContact CG1-CG1 4.28Å; I158-I186 HydrophobicContact CG2-CD1 4.04Å
159S93.2Very high87Confident5 Ų540.7 Ų40.74%0.03523%0.228CC..Hα-helixtrans-58.4-39.3-175.6-61.10000113.3L155 H156 A157 K163 S213L155-S159 WeakPolarHBondContact O-CB 3.4Å; L155-S159 PolarHBondContact O-N 3.05Å; L155-S159 PolarHBondContact O-OG 3.36Å; H156-S159 PolarHBondContact O-N 3.06Å; H156-S159 VanDerWaalsContact O-N 3.16Å; A157-S159 PolarHBondContact O-N 3.49Å; S159-K163 WeakPolarHBondContact O-CG 3.36Å; S159-S213 PolarHBondContact OG-N 3.2Å
160E91.2Very high86Confident44 Ų4437.5 Ų37.521%0.20621%0.206CC..Hα-helixtrans-72.1-42.5176-69.7-61.6105.400111.3V127 H156 A157 I158 F162 K163 F164V127-E160 HydrophobicContact CG1-CB 4.14Å; V127-E160 HydrophobicContact CG2-CB 4.44Å; H156-E160 WeakPolarHBondContact O-CB 3.06Å; H156-E160 WeakPolarHBondContact O-CG 2.95Å; H156-E160 PolarHBondContact O-N 3.34Å; A157-E160 PolarHBondContact O-N 2.79Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.35Å; E160-F162 VanDerWaalsContact C-N 3.28Å; E160-F162 PolarHBondContact O-N 3.46Å; E160-K163 WeakPolarHBondContact O-CB 3.42Å; E160-K163 PolarHBondContact O-N 2.93Å; E160-K163 IonicContact OE1-NZ 2.84Å; E160-K163 PolarHBondContact OE1-NZ 2.88Å; E160-F164 WeakPolarHBondContact O-CD2 3.45Å
161R89.4Confident85.1Confident7 Ų737.7 Ų37.73%0.02621%0.207CC..Hα-helixtrans-61.3-38.5-178.3-173.560.4-178.2101.8-10.2112.5V127 H128 V131 A157 I158 K163 F164 P167 L179V127-R161 HydrophobicContact CG1-CB 4.03Å; H128-R161 PolarHBondContact CD2-NE 3.06Å; H128-R161 VanDerWaalsContact CD2-NE 3.31Å; V131-R161 HydrophobicContact CB-CB 4.42Å; V131-R161 HydrophobicContact CB-CG 4.26Å; V131-R161 HydrophobicContact CG1-CB 4.43Å; V131-R161 HydrophobicContact CG1-CG 4.06Å; V131-R161 HydrophobicContact CG2-CB 3.85Å; V131-R161 HydrophobicContact CG2-CG 4.24Å; A157-R161 VanDerWaalsContact O-CB 3.25Å; A157-R161 WeakPolarHBondContact O-CB 3.45Å; A157-R161 PolarHBondContact O-N 3.19Å; I158-R161 PolarHBondContact O-N 3.37Å; I158-R161 VanDerWaalsContact O-N 3.1Å; R161-K163 PolarHBondContact O-N 3.42Å; R161-F164 PolarHBondContact O-N 2.81Å; R161-P167 PolarHBondContact NH2-O 3.41Å; R161-L179 HydrophobicContact CB-CD1 4.49Å; R161-L179 HydrophobicContact CG-CD1 3.81Å; R161-L179 HydrophobicContact CG-CD2 4.11Å
162F89.2Confident84.4Confident51 Ų5137 Ų3722%0.22420%0.204CC..THydrogen-bonded Turntrans-67.8-13.7174.9-82.3-76.7000114.3I158 E160 L179 V182 A183 I186 Y216I158-F162 HydrophobicContact CG2-CD2 3.73Å; I158-F162 HydrophobicContact CG2-CE2 3.68Å; I158-F162 WeakPolarHBondContact O-CD2 3.39Å; I158-F162 PolarHBondContact O-N 3Å; E160-F162 VanDerWaalsContact C-N 3.28Å; E160-F162 PolarHBondContact O-N 3.46Å; F162-L179 HydrophobicContact CD1-CD2 4.2Å; F162-L179 HydrophobicContact CD2-CD1 4.41Å; F162-L179 HydrophobicContact CE1-CD1 4.3Å; F162-L179 HydrophobicContact CE1-CD2 4.15Å; F162-L179 HydrophobicContact CE1-CG 4.01Å; F162-L179 HydrophobicContact CE2-CD1 3.89Å; F162-L179 HydrophobicContact CE2-CG 4.48Å; F162-L179 HydrophobicContact CZ-CD1 3.82Å; F162-L179 HydrophobicContact CZ-CD2 4.49Å; F162-L179 HydrophobicContact CZ-CG 3.96Å; F162-V182 HydrophobicContact CE2-CG1 4.36Å; F162-A183 HydrophobicContact CE1-CB 3.72Å; F162-A183 HydrophobicContact CZ-CB 3.57Å; F162-I186 HydrophobicContact CE2-CD1 4.25Å; F162-Y216 HydrophobicContact CB-CE1 4.22Å; F162-Y216 HydrophobicContact CB-CE2 3.97Å; F162-Y216 VanDerWaalsContact CB-OH 3.32Å; F162-Y216 WeakPolarHBondContact CB-OH 3.46Å; F162-Y216 HydrophobicContact CD1-CE1 4.1Å; F162-Y216 HydrophobicContact CD2-CD2 4.32Å; F162-Y216 HydrophobicContact CD2-CE2 4.15Å; F162-Y216 HydrophobicContact CG-CE1 4.08Å; F162-Y216 HydrophobicContact CG-CE2 4.1Å; F162-Y216 AromaticContact CG-CZ 3.83Å
163K87.1Confident83.4Confident142 Ų14239.9 Ų39.962%0.61723%0.233SC*.THydrogen-bonded Turntrans-86.3-23.3175.6-65.8170.9-172.8173.30113.1S159 E160 R161S159-K163 WeakPolarHBondContact O-CG 3.36Å; E160-K163 WeakPolarHBondContact O-CB 3.42Å; E160-K163 PolarHBondContact O-N 2.93Å; E160-K163 IonicContact OE1-NZ 2.84Å; E160-K163 PolarHBondContact OE1-NZ 2.88Å; R161-K163 PolarHBondContact O-N 3.42Å
164F80.6Confident82.7Confident62 Ų6244 Ų4427%0.27226%0.256SS..  trans-74.8128.9-177.7-67.6-61.3000111V127 E160 R161 E166V127-F164 HydrophobicContact CG1-CE2 4.45Å; E160-F164 WeakPolarHBondContact O-CD2 3.45Å; R161-F164 PolarHBondContact O-N 2.81Å; F164-E166 HydrophobicContact CB-CB 4.31Å; F164-E166 HydrophobicContact CB-CG 4.16Å; F164-E166 PolarHBondContact O-N 2.93Å
165A71.3Confident81.9Confident114 Ų11447.6 Ų47.694%0.94228%0.276SS*.  trans-81.153.2171.900000110.9
166E73.9Confident81.2Confident72 Ų7252.8 Ų52.834%0.33630%0.3SS..SBendtrans-116.2161.8-177.1-71.4-178.4-16700110.5S110 H128 F164S110-E166 WeakPolarHBondContact CB-OE2 3.41Å; S110-E166 PolarHBondContact OG-OE2 3.33Å; H128-E166 IonicContact NE2-OE2 3.64Å; H128-E166 PolarHBondContact NE2-OE2 2.92Å; F164-E166 HydrophobicContact CB-CB 4.31Å; F164-E166 HydrophobicContact CB-CG 4.16Å; F164-E166 PolarHBondContact O-N 2.93Å
167P67.8Low80.6Confident76 Ų7653.1 Ų53.149%0.49430%0.301SS..  trans-49.8148175.4-25.234.2000111.8R161 F169R161-P167 PolarHBondContact NH2-O 3.41Å; P167-F169 PolarHBondContact O-N 3.04Å; P167-F169 VanDerWaalsContact O-N 3.13Å
168S75.4Confident80.1Confident45 Ų4554.4 Ų54.432%0.31531%0.308SS..SBendtrans-63.5-18.1178.849.90000113.3D178 L179S168-D178 WeakPolarHBondContact CB-OD2 3.35Å; S168-D178 PolarHBondContact OG-OD2 3.41Å; S168-L179 WeakPolarHBondContact O-CB 3.27Å; S168-L179 PolarHBondContact O-N 3.37Å; S168-L179 VanDerWaalsContact O-N 3.09Å
169F72.9Confident79.8Confident50 Ų5055.4 Ų55.422%0.21931%0.313CS..  trans-92.8136.5176.8-57.7-71.7000111.5P167 S172 D174 L175 D178P167-F169 PolarHBondContact O-N 3.04Å; P167-F169 VanDerWaalsContact O-N 3.13Å; F169-S172 WeakPolarHBondContact CB-O 3.12Å; F169-D174 WeakPolarHBondContact CD1-O 3.4Å; F169-D174 WeakPolarHBondContact CE1-O 3.48Å; F169-L175 HydrophobicContact CZ-CD2 4.22Å; F169-D178 HydrophobicContact CD1-CB 4.38Å; F169-D178 HydrophobicContact CE1-CB 3.79Å; F169-D178 WeakPolarHBondContact CE1-OD2 3.24Å; F169-D178 HydrophobicContact CZ-CB 4.31Å; F169-D178 WeakPolarHBondContact CZ-OD2 3.34Å
170G71.7Confident79.4Confident2 Ų256.6 Ų56.62%0.02133%0.327CS..SBendtrans-108.6-63.6176.500000113.6L109 S110 S111 E132L109-G170 WeakPolarHBondContact CB-O 3.38Å; L109-G170 WeakPolarHBondContact CD2-O 3.35Å; S110-G170 PolarHBondContact N-O 3.38Å; S111-G170 PolarHBondContact N-O 3.05Å; S111-G170 PolarHBondContact OG-O 2.93Å; E132-G170 VanDerWaalsContact OE1-C 3.25Å; E132-G170 WeakPolarHBondContact OE1-CA 3.49Å
171C74.4Confident79.2Confident8 Ų857.4 Ų57.45%0.05433%0.33CS..SBendtrans-93.5-26.2-171.462.20000115.2Q104 S111 L112 E132Q104-C171 PolarHBondContact NE2-O 3.42Å; S111-C171 WeakPolarHBondContact OG-CA 3.39Å; S111-C171 WeakPolarHBondContact OG-CB 3.47Å; S111-C171 PolarHBondContact OG-N 3.24Å; L112-C171 VanDerWaalsContact O-CB 3.25Å; L112-C171 WeakPolarHBondContact O-CB 3.41Å; E132-C171 VanDerWaalsContact CD-SG 3.59Å; E132-C171 PolarHBondContact OE1-N 3.09Å; E132-C171 VanDerWaalsContact OE2-CB 3.29Å; E132-C171 WeakPolarHBondContact OE2-CB 3.33Å; E132-C171 PolarHBondContact OE2-SG 3.47Å
172S79Confident79.3Confident26 Ų2657 Ų5718%0.18233%0.329CS..  trans-150.7164.5174.4800000109.6F169 D174 F177F169-S172 WeakPolarHBondContact CB-O 3.12Å; S172-D174 WeakPolarHBondContact CB-OD2 3.47Å; S172-D174 PolarHBondContact O-N 2.88Å; S172-D174 WeakPolarHBondContact OG-CB 3.31Å; S172-D174 VanDerWaalsContact OG-CG 3.23Å; S172-D174 PolarHBondContact OG-N 3.33Å; S172-D174 PolarHBondContact OG-OD2 3.19Å; S172-F177 VanDerWaalsContact OG-CD2 3.31Å; S172-F177 WeakPolarHBondContact OG-CD2 3.49Å
173G72.1Confident79.3Confident59 Ų5956.2 Ų56.261%0.60833%0.332SS*.SBendtrans-79.514.1173.100000114.5
174D78Confident79.4Confident93 Ų9354.9 Ų54.950%0.49733%0.328SS..  trans-77.5136.5-178.6-56.9-47.5000110.8F169 S172 E176 F177F169-D174 WeakPolarHBondContact CD1-O 3.4Å; F169-D174 WeakPolarHBondContact CE1-O 3.48Å; S172-D174 WeakPolarHBondContact CB-OD2 3.47Å; S172-D174 PolarHBondContact O-N 2.88Å; S172-D174 WeakPolarHBondContact OG-CB 3.31Å; S172-D174 VanDerWaalsContact OG-CG 3.23Å; S172-D174 PolarHBondContact OG-N 3.33Å; S172-D174 PolarHBondContact OG-OD2 3.19Å; D174-E176 PolarHBondContact O-N 2.9Å; D174-E176 VanDerWaalsContact O-N 3.13Å; D174-F177 HydrophobicContact CB-CD2 3.99Å; D174-F177 HydrophobicContact CB-CE2 4.12Å; D174-F177 PolarHBondContact O-N 3.07Å
175L77.8Confident79.9Confident127 Ų12753.5 Ų53.567%0.66532%0.322SS*.G310 helixtrans-56.5-30.1-179.9-73.4164.9000113.1F169 F177 D178 H181F169-L175 HydrophobicContact CZ-CD2 4.22Å; L175-F177 PolarHBondContact O-N 2.95Å; L175-F177 VanDerWaalsContact O-N 3.08Å; L175-D178 VanDerWaalsContact O-CB 3.29Å; L175-D178 WeakPolarHBondContact O-CB 2.92Å; L175-D178 PolarHBondContact O-N 3.46Å; L175-H181 PolarHBondContact O-CD2 3.38Å; L175-H181 PolarHBondContact O-NE2 2.66Å; L175-H181 VanDerWaalsContact O-NE2 3.09Å
176E80Confident81Confident110 Ų11048.1 Ų48.151%0.51428%0.277SS..G310 helixtrans-60.7-21.2-178.8-62.2-175.1162.900113.9A135 E136 D174A135-E176 CarbonylContact C-O 3.12Å; E136-E176 WeakPolarHBondContact CA-O 3.15Å; E136-E176 PolarHBondContact N-O 2.96Å; D174-E176 PolarHBondContact O-N 2.9Å; D174-E176 VanDerWaalsContact O-N 3.13Å
177F80.5Confident81.9Confident20 Ų2046 Ų469%0.08827%0.27CS..G310 helixtrans-1058.3179.6-51.5-65000113.5E132 E136 S172 D174 L175 L179E132-F177 HydrophobicContact CB-CD1 4.42Å; E132-F177 HydrophobicContact CG-CB 4.42Å; E136-F177 HydrophobicContact CB-CD1 4.09Å; E136-F177 HydrophobicContact CB-CE1 3.93Å; E136-F177 HydrophobicContact CG-CE1 4.07Å; S172-F177 VanDerWaalsContact OG-CD2 3.31Å; S172-F177 WeakPolarHBondContact OG-CD2 3.49Å; D174-F177 HydrophobicContact CB-CD2 3.99Å; D174-F177 HydrophobicContact CB-CE2 4.12Å; D174-F177 PolarHBondContact O-N 3.07Å; L175-F177 PolarHBondContact O-N 2.95Å; L175-F177 VanDerWaalsContact O-N 3.08Å; F177-L179 PolarHBondContact O-N 2.98Å
178D83.1Confident83Confident28 Ų2847.5 Ų47.515%0.1527%0.271CS..  trans-67.4129.6-176.2-168.2-80.6000111.7S168 F169 L175 G180 H181S168-D178 WeakPolarHBondContact CB-OD2 3.35Å; S168-D178 PolarHBondContact OG-OD2 3.41Å; F169-D178 HydrophobicContact CD1-CB 4.38Å; F169-D178 HydrophobicContact CE1-CB 3.79Å; F169-D178 WeakPolarHBondContact CE1-OD2 3.24Å; F169-D178 HydrophobicContact CZ-CB 4.31Å; F169-D178 WeakPolarHBondContact CZ-OD2 3.34Å; L175-D178 VanDerWaalsContact O-CB 3.29Å; L175-D178 WeakPolarHBondContact O-CB 2.92Å; L175-D178 PolarHBondContact O-N 3.46Å; D178-G180 PolarHBondContact O-N 3.49Å; D178-G180 VanDerWaalsContact O-N 3.1Å; D178-G180 WeakPolarHBondContact OD1-CA 3.27Å; D178-G180 PolarHBondContact OD1-N 3.23Å; D178-H181 WeakPolarHBondContact O-CB 3.01Å; D178-H181 PolarHBondContact O-N 3.48Å
179L86.7Confident84Confident22 Ų2245.5 Ų45.512%0.11526%0.256CS..Hα-helixtrans-54.3-28.1176-178.663.7000113.4V131 R161 F162 S168 F177 H181 V182 A183V131-L179 HydrophobicContact CG1-CD1 3.43Å; V131-L179 VanDerWaalsContact CG1-CD1 3.43Å; R161-L179 HydrophobicContact CB-CD1 4.49Å; R161-L179 HydrophobicContact CG-CD1 3.81Å; R161-L179 HydrophobicContact CG-CD2 4.11Å; F162-L179 HydrophobicContact CD1-CD2 4.2Å; F162-L179 HydrophobicContact CD2-CD1 4.41Å; F162-L179 HydrophobicContact CE1-CD1 4.3Å; F162-L179 HydrophobicContact CE1-CD2 4.15Å; F162-L179 HydrophobicContact CE1-CG 4.01Å; F162-L179 HydrophobicContact CE2-CD1 3.89Å; F162-L179 HydrophobicContact CE2-CG 4.48Å; F162-L179 HydrophobicContact CZ-CD1 3.82Å; F162-L179 HydrophobicContact CZ-CD2 4.49Å; F162-L179 HydrophobicContact CZ-CG 3.96Å; S168-L179 WeakPolarHBondContact O-CB 3.27Å; S168-L179 PolarHBondContact O-N 3.37Å; S168-L179 VanDerWaalsContact O-N 3.09Å; F177-L179 PolarHBondContact O-N 2.98Å; L179-H181 VanDerWaalsContact C-N 3.29Å; L179-H181 PolarHBondContact O-N 3.43Å; L179-V182 WeakPolarHBondContact O-CB 3.35Å; L179-V182 PolarHBondContact O-N 3.13Å; L179-V182 VanDerWaalsContact O-N 3.13Å; L179-A183 PolarHBondContact O-N 2.66Å
180G85.9Confident85.1Confident31 Ų3148.8 Ų48.832%0.3227%0.267SS..Hα-helixtrans-58.8-36175.800000113.1D178 V182 A183 E184D178-G180 PolarHBondContact O-N 3.49Å; D178-G180 VanDerWaalsContact O-N 3.1Å; D178-G180 WeakPolarHBondContact OD1-CA 3.27Å; D178-G180 PolarHBondContact OD1-N 3.23Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 3.06Å; G180-A183 WeakPolarHBondContact O-CB 3.42Å; G180-A183 PolarHBondContact O-N 3.01Å; G180-E184 WeakPolarHBondContact O-CB 2.98Å; G180-E184 PolarHBondContact O-N 3.17Å
181H85.6Confident86.3Confident60 Ų6051.8 Ų51.828%0.27828%0.281SS..Hα-helixtrans-62.4-40.1174.1-71.4-50.7000111.8L175 D178 L179 F185L175-H181 PolarHBondContact O-CD2 3.38Å; L175-H181 PolarHBondContact O-NE2 2.66Å; L175-H181 VanDerWaalsContact O-NE2 3.09Å; D178-H181 WeakPolarHBondContact O-CB 3.01Å; D178-H181 PolarHBondContact O-N 3.48Å; L179-H181 VanDerWaalsContact C-N 3.29Å; L179-H181 PolarHBondContact O-N 3.43Å; H181-F185 WeakPolarHBondContact O-CB 3.32Å; H181-F185 PolarHBondContact O-N 2.82Å
182V91.4Very high87.3Confident0 Ų051.4 Ų51.40%028%0.278CS..Hα-helixtrans-64.7-46.9174.2179.10000110.2V131 L134 A135 F138 I158 F162 L179 G180 E184 F185 I186V131-V182 HydrophobicContact CG1-CG2 4.12Å; L134-V182 HydrophobicContact CB-CG2 4.32Å; A135-V182 HydrophobicContact CB-CG2 3.75Å; F138-V182 HydrophobicContact CD2-CB 4.45Å; F138-V182 HydrophobicContact CD2-CG2 4.07Å; F138-V182 HydrophobicContact CE2-CG1 4.23Å; F138-V182 HydrophobicContact CE2-CG2 4.27Å; I158-V182 HydrophobicContact CD1-CG1 4.37Å; I158-V182 HydrophobicContact CG1-CG1 4.28Å; F162-V182 HydrophobicContact CE2-CG1 4.36Å; L179-V182 WeakPolarHBondContact O-CB 3.35Å; L179-V182 PolarHBondContact O-N 3.13Å; L179-V182 VanDerWaalsContact O-N 3.13Å; G180-V182 VanDerWaalsContact C-N 3.31Å; G180-V182 PolarHBondContact O-N 3.06Å; V182-E184 PolarHBondContact O-N 2.62Å; V182-F185 PolarHBondContact O-N 2.81Å; V182-I186 HydrophobicContact CG1-CD1 4.33Å; V182-I186 HydrophobicContact CG1-CG2 4.23Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.42Å; V182-I186 WeakPolarHBondContact O-CG2 3.48Å; V182-I186 PolarHBondContact O-N 2.75Å
183A90.4Very high88Confident34 Ų3454 Ų5428%0.28129%0.286SS..Hα-helixtrans-58.8-47.9179.900000112.3F162 L179 G180 S187F162-A183 HydrophobicContact CE1-CB 3.72Å; F162-A183 HydrophobicContact CZ-CB 3.57Å; L179-A183 PolarHBondContact O-N 2.66Å; G180-A183 WeakPolarHBondContact O-CB 3.42Å; G180-A183 PolarHBondContact O-N 3.01Å; A183-S187 VanDerWaalsContact O-CB 3.28Å; A183-S187 WeakPolarHBondContact O-CB 3.5Å; A183-S187 PolarHBondContact O-N 2.81Å; A183-S187 PolarHBondContact O-OG 3.44Å
184E88.3Confident89Confident113 Ų11351.2 Ų51.253%0.52826%0.257SS..Hα-helixtrans-62.7-51.7179.2-177.4175.4-16500110.3G180 V182 S187 Q188G180-E184 WeakPolarHBondContact O-CB 2.98Å; G180-E184 PolarHBondContact O-N 3.17Å; V182-E184 PolarHBondContact O-N 2.62Å; E184-S187 PolarHBondContact O-N 3.21Å; E184-S187 PolarHBondContact O-OG 3.2Å; E184-Q188 PolarHBondContact O-N 2.93Å
185F92Very high89.6Confident34 Ų3448.6 Ų48.615%0.14925%0.246CC..Hα-helixtrans-61-53.2-176.2-169.4-93.8000112.1F138 I143 L148 H181 V182 S187 Q188 I189F138-F185 HydrophobicContact CB-CB 4.17Å; F138-F185 HydrophobicContact CB-CD1 4.42Å; F138-F185 HydrophobicContact CB-CD2 4.1Å; F138-F185 HydrophobicContact CB-CG 3.98Å; F138-F185 AromaticContact CD1-CD1 3.62Å; F138-F185 HydrophobicContact CD1-CD1 3.62Å; F138-F185 HydrophobicContact CD1-CD2 4.42Å; F138-F185 AromaticContact CD1-CE1 3.61Å; F138-F185 HydrophobicContact CD1-CE1 3.61Å; F138-F185 HydrophobicContact CD1-CE2 4.42Å; F138-F185 HydrophobicContact CD1-CG 4.05Å; F138-F185 HydrophobicContact CD1-CZ 4.04Å; F138-F185 HydrophobicContact CD2-CB 3.95Å; F138-F185 AromaticContact CD2-CD1 3.84Å; F138-F185 HydrophobicContact CD2-CD1 3.84Å; F138-F185 AromaticContact CD2-CG 4Å; F138-F185 HydrophobicContact CD2-CG 4Å; F138-F185 AromaticContact CE1-CD1 3.73Å; F138-F185 HydrophobicContact CE1-CD1 3.73Å; F138-F185 AromaticContact CE1-CE1 3.6Å; F138-F185 HydrophobicContact CE1-CE1 3.6Å; F138-F185 HydrophobicContact CE1-CZ 4.37Å; F138-F185 AromaticContact CE2-CD1 3.93Å; F138-F185 HydrophobicContact CE2-CD1 3.93Å; F138-F185 HydrophobicContact CG-CB 4.09Å; F138-F185 AromaticContact CG-CD1 3.69Å; F138-F185 HydrophobicContact CG-CD1 3.69Å; F138-F185 HydrophobicContact CG-CD2 4.24Å; F138-F185 HydrophobicContact CG-CE1 4.16Å; F138-F185 AromaticContact CG-CG 3.74Å; F138-F185 HydrophobicContact CG-CG 3.74Å; F138-F185 AromaticContact CZ-CD1 3.88Å; F138-F185 HydrophobicContact CZ-CD1 3.88Å; F138-F185 HydrophobicContact CZ-CE1 4.13Å; I143-F185 HydrophobicContact CB-CZ 4.47Å; I143-F185 HydrophobicContact CG2-CE1 4.36Å; I143-F185 HydrophobicContact CG2-CZ 3.99Å; I143-F185 WeakPolarHBondContact O-CE2 3.28Å; I143-F185 WeakPolarHBondContact O-CZ 3.32Å; L148-F185 HydrophobicContact CD1-CE1 4.34Å; L148-F185 HydrophobicContact CD2-CE1 4.41Å; H181-F185 WeakPolarHBondContact O-CB 3.32Å; H181-F185 PolarHBondContact O-N 2.82Å; V182-F185 PolarHBondContact O-N 2.81Å; F185-S187 PolarHBondContact O-N 3.01Å; F185-Q188 PolarHBondContact O-N 3.4Å; F185-I189 HydrophobicContact CD1-CD1 4.2Å; F185-I189 HydrophobicContact CD1-CG1 4.34Å; F185-I189 HydrophobicContact CE1-CD1 3.68Å; F185-I189 HydrophobicContact CE1-CG1 4.26Å; F185-I189 HydrophobicContact CZ-CD1 4.15Å; F185-I189 PolarHBondContact O-N 3.34Å
186I93.5Very high89.8Confident0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-65-25.7-178.171.9-172.7000112.5F138 L148 I158 F162 V182 Q188 I189 Y216 F217F138-I186 HydrophobicContact CE2-CG2 4.36Å; L148-I186 HydrophobicContact CD2-CG2 4.22Å; I158-I186 HydrophobicContact CG2-CD1 4.04Å; F162-I186 HydrophobicContact CE2-CD1 4.25Å; V182-I186 HydrophobicContact CG1-CD1 4.33Å; V182-I186 HydrophobicContact CG1-CG2 4.23Å; V182-I186 VanDerWaalsContact O-CG1 3.23Å; V182-I186 WeakPolarHBondContact O-CG1 3.42Å; V182-I186 WeakPolarHBondContact O-CG2 3.48Å; V182-I186 PolarHBondContact O-N 2.75Å; I186-Q188 PolarHBondContact O-N 2.76Å; I186-I189 PolarHBondContact O-N 2.87Å; I186-Y216 HydrophobicContact CD1-CG 4.43Å; I186-F217 HydrophobicContact CB-CD1 4.15Å; I186-F217 HydrophobicContact CB-CE1 3.78Å; I186-F217 HydrophobicContact CB-CZ 4.11Å; I186-F217 HydrophobicContact CG2-CE1 4.15Å; I186-F217 HydrophobicContact CG2-CZ 4.27Å; I186-F217 WeakPolarHBondContact O-CD1 3.29Å
187S92.5Very high89.4Confident28 Ų2842.1 Ų42.120%0.19622%0.217CC..Hα-helixtrans-69.1-23.3177.180.20000113.4A183 E184 F185 Y216 S219A183-S187 VanDerWaalsContact O-CB 3.28Å; A183-S187 WeakPolarHBondContact O-CB 3.5Å; A183-S187 PolarHBondContact O-N 2.81Å; A183-S187 PolarHBondContact O-OG 3.44Å; E184-S187 PolarHBondContact O-N 3.21Å; E184-S187 PolarHBondContact O-OG 3.2Å; F185-S187 PolarHBondContact O-N 3.01Å; S187-Y216 WeakPolarHBondContact CA-O 3.33Å; S187-S219 WeakPolarHBondContact O-CB 3.31Å; S187-S219 PolarHBondContact O-N 3.17Å; S187-S219 VanDerWaalsContact O-N 3.15Å; S187-S219 PolarHBondContact O-OG 3.29Å
188Q92.8Very high88.3Confident108 Ų10849.2 Ų49.251%0.50525%0.248SC..Hα-helixtrans-93.6-16-179.5-62.3179.31500113E184 F185 I186 R190E184-Q188 PolarHBondContact O-N 2.93Å; F185-Q188 PolarHBondContact O-N 3.4Å; I186-Q188 PolarHBondContact O-N 2.76Å; Q188-R190 PolarHBondContact O-N 3Å
189I95.3Very high87.9Confident2 Ų258.2 Ų58.21%0.0128%0.279CS..  trans-60130.4179.6-66.2-55.9000111.4L148 F185 I186 E191 F217 S219 L220L148-I189 HydrophobicContact CB-CD1 3.8Å; L148-I189 HydrophobicContact CB-CG1 3.96Å; L148-I189 HydrophobicContact CB-CG2 4.01Å; L148-I189 HydrophobicContact CD2-CD1 4.49Å; L148-I189 HydrophobicContact CD2-CG1 4.04Å; F185-I189 HydrophobicContact CD1-CD1 4.2Å; F185-I189 HydrophobicContact CD1-CG1 4.34Å; F185-I189 HydrophobicContact CE1-CD1 3.68Å; F185-I189 HydrophobicContact CE1-CG1 4.26Å; F185-I189 HydrophobicContact CZ-CD1 4.15Å; F185-I189 PolarHBondContact O-N 3.34Å; I186-I189 PolarHBondContact O-N 2.87Å; I189-E191 VanDerWaalsContact CG2-O 3.31Å; I189-E191 WeakPolarHBondContact CG2-O 3.46Å; I189-F217 HydrophobicContact CB-CD1 4.3Å; I189-F217 HydrophobicContact CG2-CD1 4.4Å; I189-S219 CarbonylContact O-C 3.55Å; I189-S219 VanDerWaalsContact O-C 3.27Å; I189-L220 HydrophobicContact CG2-CD1 4.35Å; I189-L220 PolarHBondContact O-N 3.08Å
190R95.7Very high87.8Confident120 Ų12057.5 Ų57.545%0.45328%0.277SS..SBendtrans-103.8-23.9176.2-58.6-157.3-171.9145.5-6.5112.9E146 Q188 K221 T222E146-R190 HydrophobicContact CB-CB 4.02Å; E146-R190 HydrophobicContact CB-CG 4.07Å; E146-R190 VanDerWaalsContact CD-CZ 3.45Å; E146-R190 VanDerWaalsContact CD-NH1 3.33Å; E146-R190 HydrophobicContact CG-CG 4.28Å; E146-R190 PolarHBondContact O-N 3.4Å; E146-R190 IonicContact OE1-CZ 3.76Å; E146-R190 IonicContact OE1-NE 3.54Å; E146-R190 PolarHBondContact OE1-NE 3.49Å; E146-R190 IonicContact OE1-NH1 3.58Å; E146-R190 PolarHBondContact OE1-NH1 3.4Å; E146-R190 IonicContact OE1-NH2 3.65Å; E146-R190 PolarHBondContact OE1-NH2 3.33Å; E146-R190 WeakPolarHBondContact OE2-CD 3.47Å; E146-R190 IonicContact OE2-CZ 2.83Å; E146-R190 VanDerWaalsContact OE2-CZ 3.29Å; E146-R190 IonicContact OE2-NE 2.73Å; E146-R190 PolarHBondContact OE2-NE 2.97Å; E146-R190 IonicContact OE2-NH1 2.99Å; E146-R190 PolarHBondContact OE2-NH1 3.37Å; Q188-R190 PolarHBondContact O-N 3Å; R190-K221 HydrophobicContact CB-CB 4.44Å; R190-K221 HydrophobicContact CB-CG 4.3Å; R190-K221 WeakPolarHBondContact O-CA 3.4Å; R190-K221 PolarHBondContact O-N 2.82Å; R190-T222 PolarHBondContact O-N 3.42Å
191E96.4Very high87.9Confident65 Ų6558.4 Ų58.430%0.30429%0.287SS..EExtended strand (participates in β ladder)trans-129.3116.7178.4179.2169.6-178.800110.8E146 Q147 L148 I189 T222E146-E191 PolarHBondContact O-N 3Å; Q147-E191 CarbonylContact C-O 3.6Å; Q147-E191 WeakPolarHBondContact CA-O 3.3Å; Q147-E191 HydrophobicContact CB-CB 4.43Å; Q147-E191 HydrophobicContact CG-CB 4.01Å; Q147-E191 HydrophobicContact CG-CG 4.32Å; Q147-E191 PolarHBondContact NE2-OE2 3.33Å; L148-E191 PolarHBondContact N-O 3.27Å; I189-E191 VanDerWaalsContact CG2-O 3.31Å; I189-E191 WeakPolarHBondContact CG2-O 3.46Å; E191-T222 WeakPolarHBondContact CA-O 3.43Å; E191-T222 HydrophobicContact CG-CG2 3.95Å
192L95.9Very high88.2Confident0 Ų058.1 Ų58.10%029%0.291CS..EExtended strand (participates in β ladder)trans-113.5127.4177.9179.163.7000109.8L148 L150 L155 I194 L214 F217 L220 T222 L223 Q224L148-L192 HydrophobicContact CB-CD1 4.45Å; L148-L192 HydrophobicContact CG-CD1 4.45Å; L148-L192 CarbonylContact O-C 3.56Å; L148-L192 WeakPolarHBondContact O-CA 3.48Å; L150-L192 HydrophobicContact CD1-CD1 4.38Å; L155-L192 HydrophobicContact CD2-CD2 4.43Å; L192-I194 HydrophobicContact CD2-CD1 4.12Å; L192-I194 HydrophobicContact CD2-CG1 4.16Å; L192-I194 HydrophobicContact CG-CG1 4.05Å; L192-L214 HydrophobicContact CD2-CD2 3.8Å; L192-F217 HydrophobicContact CD1-CE1 3.97Å; L192-F217 HydrophobicContact CD1-CZ 4.24Å; L192-F217 HydrophobicContact CD2-CD1 4.14Å; L192-F217 HydrophobicContact CD2-CD2 4.39Å; L192-F217 HydrophobicContact CD2-CE1 3.87Å; L192-F217 HydrophobicContact CD2-CE2 4.14Å; L192-F217 HydrophobicContact CD2-CG 4.39Å; L192-F217 HydrophobicContact CD2-CZ 3.87Å; L192-F217 HydrophobicContact CG-CE1 4.41Å; L192-L220 HydrophobicContact CB-CD1 3.55Å; L192-T222 PolarHBondContact N-O 3.31Å; L192-L223 HydrophobicContact CB-CD1 4.13Å; L192-L223 HydrophobicContact CD2-CD1 4.07Å; L192-L223 HydrophobicContact CG-CD1 4.18Å; L192-L223 WeakPolarHBondContact O-CA 3.4Å; L192-Q224 PolarHBondContact O-N 3.1Å
193K94.6Very high88.3Confident81 Ų8158.5 Ų58.535%0.35229%0.294SS..EExtended strand (participates in β ladder)trans-109.7125.7170.6-174.8176.3-173.5174.70110.5L148 S149 L150 C195 Q224L148-K193 PolarHBondContact O-N 3.49Å; S149-K193 CarbonylContact C-O 3.5Å; S149-K193 VanDerWaalsContact CA-O 3.29Å; S149-K193 WeakPolarHBondContact CA-O 3.29Å; L150-K193 PolarHBondContact N-O 2.88Å; K193-C195 VanDerWaalsContact CE-SG 3.52Å; K193-Q224 CarbonylContact C-O 3.2Å; K193-Q224 WeakPolarHBondContact CA-O 3.43Å; K193-Q224 HydrophobicContact CB-CB 4.41Å; K193-Q224 VanDerWaalsContact CD-OE1 3.3Å; K193-Q224 VanDerWaalsContact CE-OE1 3.23Å; K193-Q224 HydrophobicContact CG-CB 4.18Å; K193-Q224 HydrophobicContact CG-CG 4.22Å
194I93.5Very high88.4Confident0 Ų060.9 Ų60.90%030%0.302CS..EExtended strand (participates in β ladder)trans-110116.3178.8-49.2-176.6000108.6L150 P152 L155 L192 F212 L223 Q224 I225 S226 C228 I233L150-I194 WeakPolarHBondContact O-CA 3.46Å; P152-I194 HydrophobicContact CG-CG2 4.05Å; L155-I194 HydrophobicContact CD1-CB 4.42Å; L155-I194 HydrophobicContact CD1-CD1 3.63Å; L155-I194 HydrophobicContact CD1-CG1 3.76Å; L155-I194 HydrophobicContact CD1-CG2 3.92Å; L192-I194 HydrophobicContact CD2-CD1 4.12Å; L192-I194 HydrophobicContact CD2-CG1 4.16Å; L192-I194 HydrophobicContact CG-CG1 4.05Å; I194-F212 HydrophobicContact CD1-CE2 3.67Å; I194-F212 HydrophobicContact CD1-CZ 3.8Å; I194-F212 HydrophobicContact CG2-CZ 4.1Å; I194-L223 HydrophobicContact CD1-CD1 3.87Å; I194-L223 HydrophobicContact CG1-CD1 4.16Å; I194-Q224 PolarHBondContact N-O 2.86Å; I194-I225 HydrophobicContact CD1-CG1 4.38Å; I194-S226 PolarHBondContact O-N 2.94Å; I194-S226 PolarHBondContact O-OG 2.98Å; I194-C228 HydrophobicContact CG2-CB 4.36Å; I194-I233 HydrophobicContact CD1-CD1 4.26Å
195C89.7Confident88.5Confident37 Ų3755.9 Ų55.925%0.2528%0.279CS..EExtended strand (participates in β ladder)trans-117.7100.7-178.7-67.70000110.6L150 P152 K193 S226L150-C195 PolarHBondContact O-N 2.76Å; L150-C195 VanDerWaalsContact O-N 3.16Å; P152-C195 WeakPolarHBondContact CD-O 3.41Å; K193-C195 VanDerWaalsContact CE-SG 3.52Å; C195-S226 WeakPolarHBondContact CA-OG 3.44Å
196G81.6Confident88.3Confident7 Ų761.9 Ų61.97%0.07231%0.305CS..  trans-86.7-1.2179.300000115.6S226 H227G196-S226 PolarHBondContact N-O 3.39Å; G196-H227 WeakPolarHBondContact CA-O 3.42Å
197N71.3Confident88.1Confident94 Ų9462.6 Ų62.650%0.50331%0.308SS..  trans-82.6144.1-171.6-149-9.7000113.1H227N197-H227 HydrophobicContact CB-CB 3.83Å; N197-H227 VanDerWaalsContact CB-CD2 3.43Å; N197-H227 WeakPolarHBondContact CB-CD2 3.18Å; N197-H227 PolarHBondContact ND2-CE1 3.31Å; N197-H227 PolarHBondContact ND2-ND1 3.31Å; N197-H227 PolarHBondContact ND2-NE2 2.88Å
198K57.6Low87.6Confident170 Ų17064 Ų6474%0.73932%0.318SS*.SBendtrans80.1140.6-172.8-55176.8-179.6177.90112.6Q207K198-Q207 PolarHBondContact O-NE2 3.46Å
199R74.9Confident87.1Confident216 Ų21661.8 Ų61.882%0.81531%0.314SS*.  trans-45.8148.1172.7-70177.6-178.3174.1-0.5109.2G201R199-G201 WeakPolarHBondContact CB-O 3.37Å; R199-G201 PolarHBondContact O-N 3.19Å
200A85.6Confident86.8Confident7 Ų762.3 Ų62.36%0.05832%0.317CS..SBendtrans-67.283.4169.600000108.1Y125 L153 S202 S203 I205Y125-A200 HydrophobicContact CD1-CB 4.45Å; Y125-A200 HydrophobicContact CE1-CB 4.21Å; Y125-A200 WeakPolarHBondContact CE1-O 3.35Å; L153-A200 HydrophobicContact CD2-CB 3.9Å; A200-S202 PolarHBondContact O-N 3Å; A200-S203 VanDerWaalsContact CB-OG 3.31Å; A200-S203 WeakPolarHBondContact CB-OG 3.4Å; A200-S203 WeakPolarHBondContact O-CA 3.5Å; A200-S203 VanDerWaalsContact O-CB 3.23Å; A200-S203 WeakPolarHBondContact O-CB 3.29Å; A200-S203 PolarHBondContact O-N 3.45Å; A200-S203 PolarHBondContact O-OG 2.94Å; A200-I205 HydrophobicContact CB-CB 4.16Å
201G87.7Confident86.6Confident51 Ų5159.8 Ų59.853%0.52632%0.316SS..THydrogen-bonded Turntrans48.6-125.9-17200000113.4Y125 R199 S203Y125-G201 WeakPolarHBondContact OH-CA 2.81Å; R199-G201 WeakPolarHBondContact CB-O 3.37Å; R199-G201 PolarHBondContact O-N 3.19Å; G201-S203 VanDerWaalsContact C-N 3.31Å
202S92.3Very high86.4Confident54 Ų5457 Ų5738%0.37830%0.303SS..THydrogen-bonded Turntrans-84.4-4.1176.456.80000113.5T44 Y125 A200T44-S202 PolarHBondContact N-OG 3.34Å; T44-S202 WeakPolarHBondContact O-CB 3.39Å; T44-S202 PolarHBondContact O-OG 2.88Å; T44-S202 WeakPolarHBondContact OG1-CB 3.11Å; Y125-S202 PolarHBondContact OH-N 2.95Å; A200-S202 PolarHBondContact O-N 3Å
203S93.5Very high86.3Confident8 Ų858.6 Ų58.66%0.05631%0.314CS..SBendtrans-74.1159.2-17380.40000113.5E42 A200 G201 I205E42-S203 CarbonylContact O-C 3.57Å; E42-S203 WeakPolarHBondContact O-CA 3.24Å; E42-S203 WeakPolarHBondContact O-CB 3.2Å; A200-S203 VanDerWaalsContact CB-OG 3.31Å; A200-S203 WeakPolarHBondContact CB-OG 3.4Å; A200-S203 WeakPolarHBondContact O-CA 3.5Å; A200-S203 VanDerWaalsContact O-CB 3.23Å; A200-S203 WeakPolarHBondContact O-CB 3.29Å; A200-S203 PolarHBondContact O-N 3.45Å; A200-S203 PolarHBondContact O-OG 2.94Å; G201-S203 VanDerWaalsContact C-N 3.31Å; S203-I205 PolarHBondContact O-N 3.06Å; S203-I205 WeakPolarHBondContact OG-CB 3.39Å; S203-I205 PolarHBondContact OG-N 3.17Å
204N92Very high86.1Confident84 Ų8454.7 Ų54.745%0.44930%0.297SS..  trans-81.17.4168.671.9-4.9000113.4R40 Y41 E42 K206R40-N204 PolarHBondContact O-ND2 3.13Å; Y41-N204 VanDerWaalsContact CA-OD1 3.31Å; Y41-N204 WeakPolarHBondContact CA-OD1 3.36Å; E42-N204 PolarHBondContact N-ND2 3.18Å; E42-N204 PolarHBondContact N-OD1 3.25Å; E42-N204 PolarHBondContact O-N 3.34Å; E42-N204 PolarHBondContact O-OD1 3.14Å; N204-K206 PolarHBondContact O-N 2.99Å
205I90.4Very high86Confident7 Ų759.8 Ų59.84%0.03632%0.321CS..  trans-73.1120.9-177.5-60.4166.4000110.3Y41 Y125 L153 A200 S203 Q207 L210Y41-I205 HydrophobicContact CD1-CG1 3.68Å; Y41-I205 HydrophobicContact CE1-CG1 4.31Å; Y41-I205 HydrophobicContact CG-CG1 4.35Å; Y125-I205 HydrophobicContact CD1-CD1 4.09Å; Y125-I205 HydrophobicContact CG-CD1 4.43Å; L153-I205 HydrophobicContact CD1-CD1 4.41Å; L153-I205 HydrophobicContact CD1-CG2 4Å; L153-I205 HydrophobicContact CD2-CD1 4.49Å; A200-I205 HydrophobicContact CB-CB 4.16Å; S203-I205 PolarHBondContact O-N 3.06Å; S203-I205 WeakPolarHBondContact OG-CB 3.39Å; S203-I205 PolarHBondContact OG-N 3.17Å; I205-Q207 VanDerWaalsContact C-N 3.35Å; I205-Q207 PolarHBondContact O-N 3.16Å; I205-Q207 VanDerWaalsContact O-N 3.12Å; I205-L210 HydrophobicContact CG2-CD1 3.93Å
206K88.4Confident86.1Confident160 Ų16061 Ų6170%0.69632%0.32SS*.  trans-82.978.6170.8-63.9-176.8-177.51800109.8N204 S208 S209N204-K206 PolarHBondContact O-N 2.99Å; K206-S208 PolarHBondContact O-N 3.47Å; K206-S209 PolarHBondContact O-N 3.42Å; K206-S209 VanDerWaalsContact O-N 3.11Å; K206-S209 PolarHBondContact O-OG 2.83Å
207Q89.4Confident86.7Confident16 Ų1660.7 Ų60.78%0.07532%0.317CS..G310 helixtrans-59.5-31.9-175.262174-14.700113.8P152 L153 K198 I205 S209 L210P152-Q207 HydrophobicContact CB-CB 4.44Å; P152-Q207 WeakPolarHBondContact CB-O 3.43Å; L153-Q207 HydrophobicContact CB-CB 4.01Å; K198-Q207 PolarHBondContact O-NE2 3.46Å; I205-Q207 VanDerWaalsContact C-N 3.35Å; I205-Q207 PolarHBondContact O-N 3.16Å; I205-Q207 VanDerWaalsContact O-N 3.12Å; Q207-S209 PolarHBondContact O-N 3.46Å; Q207-S209 VanDerWaalsContact O-N 3.11Å; Q207-L210 HydrophobicContact CB-CD1 4.41Å; Q207-L210 PolarHBondContact O-N 3.16Å; Q207-L210 VanDerWaalsContact O-N 3.15Å
208S81.2Confident87.6Confident57 Ų5762.5 Ų62.540%0.39932%0.32SS..G310 helixtrans-64.3-15.1178.756.80000114.6K206K206-S208 PolarHBondContact O-N 3.47Å
209S83Confident89.3Confident61 Ų6156.4 Ų56.443%0.42730%0.3SS..G310 helixtrans-108.211.8178.368.50000113.4K206 Q207 Q232K206-S209 PolarHBondContact O-N 3.42Å; K206-S209 VanDerWaalsContact O-N 3.11Å; K206-S209 PolarHBondContact O-OG 2.83Å; Q207-S209 PolarHBondContact O-N 3.46Å; Q207-S209 VanDerWaalsContact O-N 3.11Å; S209-Q232 PolarHBondContact O-OE1 2.95Å
210L88.3Confident90.3Very high13 Ų1346.2 Ų46.27%0.06826%0.261CS..  trans-87.6125.9179.1-68.3176.6000110.1L153 H156 I205 Q207 F212L153-L210 HydrophobicContact CB-CD1 4.36Å; L153-L210 HydrophobicContact CD1-CD1 3.46Å; L153-L210 VanDerWaalsContact CD1-CD1 3.46Å; H156-L210 HydrophobicContact CB-CB 3.87Å; H156-L210 HydrophobicContact CB-CD1 4.17Å; I205-L210 HydrophobicContact CG2-CD1 3.93Å; Q207-L210 HydrophobicContact CB-CD1 4.41Å; Q207-L210 PolarHBondContact O-N 3.16Å; Q207-L210 VanDerWaalsContact O-N 3.15Å; L210-F212 WeakPolarHBondContact O-CD1 3.48Å
211P91.8Very high90.7Very high68 Ų6849.9 Ų49.944%0.44228%0.276SS..  trans-77.5137179.230.4-34.5000111.3H156 Q232H156-P211 PolarHBondContact ND1-O 3.02Å; P211-Q232 CarbonylContact C-O 3.59Å; P211-Q232 VanDerWaalsContact CA-O 3.25Å; P211-Q232 WeakPolarHBondContact CA-O 3.48Å
212F92.5Very high91.1Very high7 Ų749 Ų493%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-143.2161.7176.556.6-95.6000111.1P152 L155 I194 L210 L214 Q232 I233 G234P152-F212 HydrophobicContact CB-CD1 4.38Å; P152-F212 HydrophobicContact CB-CE1 3.92Å; P152-F212 HydrophobicContact CG-CE1 4.5Å; L155-F212 HydrophobicContact CB-CB 3.81Å; L155-F212 HydrophobicContact CB-CD1 4.03Å; L155-F212 HydrophobicContact CB-CD2 3.73Å; L155-F212 HydrophobicContact CB-CE2 4.29Å; L155-F212 HydrophobicContact CB-CG 3.58Å; L155-F212 HydrophobicContact CD1-CD2 3.91Å; L155-F212 HydrophobicContact CD1-CE1 4.42Å; L155-F212 HydrophobicContact CD1-CE2 3.62Å; L155-F212 HydrophobicContact CD1-CG 4.41Å; L155-F212 HydrophobicContact CD1-CZ 3.89Å; L155-F212 HydrophobicContact CG-CD2 4.32Å; I194-F212 HydrophobicContact CD1-CE2 3.67Å; I194-F212 HydrophobicContact CD1-CZ 3.8Å; I194-F212 HydrophobicContact CG2-CZ 4.1Å; L210-F212 WeakPolarHBondContact O-CD1 3.48Å; F212-L214 HydrophobicContact CE2-CD2 4.38Å; F212-Q232 PolarHBondContact N-O 2.94Å; F212-I233 HydrophobicContact CD2-CG2 4.49Å; F212-I233 HydrophobicContact CE1-CG1 4.28Å; F212-I233 HydrophobicContact CE2-CB 4.23Å; F212-I233 HydrophobicContact CE2-CD1 4.06Å; F212-I233 HydrophobicContact CE2-CG1 3.68Å; F212-I233 HydrophobicContact CE2-CG2 3.94Å; F212-I233 HydrophobicContact CZ-CB 4.48Å; F212-I233 HydrophobicContact CZ-CD1 3.84Å; F212-I233 HydrophobicContact CZ-CG1 3.49Å; F212-I233 VanDerWaalsContact CZ-CG1 3.49Å; F212-G234 PolarHBondContact O-N 2.91Å
213S92.3Very high91.2Very high32 Ų3246.4 Ų46.422%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-112.4136.4-175.7-174.50000112S159 H215 A235S159-S213 PolarHBondContact OG-N 3.2Å; S213-H215 VanDerWaalsContact C-N 3.3Å; S213-H215 VanDerWaalsContact OG-CB 3.32Å; S213-H215 WeakPolarHBondContact OG-CB 3.38Å; S213-H215 PolarHBondContact OG-N 3.46Å; S213-A235 WeakPolarHBondContact OG-CB 3.34Å
214L92.1Very high91.2Very high0 Ų048.1 Ų48.10%025%0.249CC..  trans-86.22.7171.3-63.2-178.1000113.7L192 F212 Y216 F217 L223 I233 G234 F236 V239L192-L214 HydrophobicContact CD2-CD2 3.8Å; F212-L214 HydrophobicContact CE2-CD2 4.38Å; L214-Y216 PolarHBondContact O-N 2.87Å; L214-F217 HydrophobicContact CD2-CD2 4.11Å; L214-F217 HydrophobicContact CD2-CE2 4.34Å; L214-F217 PolarHBondContact O-N 3.07Å; L214-L223 HydrophobicContact CD1-CD2 3.71Å; L214-I233 HydrophobicContact CD1-CG2 3.53Å; L214-I233 HydrophobicContact CD2-CG2 4.36Å; L214-I233 HydrophobicContact CG-CG2 3.59Å; L214-G234 PolarHBondContact N-O 3.45Å; L214-F236 HydrophobicContact CD1-CD1 4.05Å; L214-F236 HydrophobicContact CD1-CE1 3.91Å; L214-V239 HydrophobicContact CB-CG1 4.03Å; L214-V239 HydrophobicContact CB-CG2 4.15Å; L214-V239 HydrophobicContact CD1-CG2 3.95Å; L214-V239 WeakPolarHBondContact O-CG1 3.45Å
215H91Very high91.2Very high107 Ų10744.2 Ų44.250%0.49523%0.228SC..THydrogen-bonded Turntrans-53.6-33.9-172.8-174.279.6000114.1S213 A235S213-H215 VanDerWaalsContact C-N 3.3Å; S213-H215 VanDerWaalsContact OG-CB 3.32Å; S213-H215 WeakPolarHBondContact OG-CB 3.38Å; S213-H215 PolarHBondContact OG-N 3.46Å; H215-A235 HydrophobicContact CB-CB 3.94Å
216Y91Very high91.2Very high61 Ų6144.5 Ų44.524%0.23923%0.231CC..THydrogen-bonded Turntrans-81.1-13.9-176.1-52.4-71.9000114F162 I186 S187 L214 K218F162-Y216 HydrophobicContact CB-CE1 4.22Å; F162-Y216 HydrophobicContact CB-CE2 3.97Å; F162-Y216 VanDerWaalsContact CB-OH 3.32Å; F162-Y216 WeakPolarHBondContact CB-OH 3.46Å; F162-Y216 HydrophobicContact CD1-CE1 4.1Å; F162-Y216 HydrophobicContact CD2-CD2 4.32Å; F162-Y216 HydrophobicContact CD2-CE2 4.15Å; F162-Y216 HydrophobicContact CG-CE1 4.08Å; F162-Y216 HydrophobicContact CG-CE2 4.1Å; F162-Y216 AromaticContact CG-CZ 3.83Å; I186-Y216 HydrophobicContact CD1-CG 4.43Å; S187-Y216 WeakPolarHBondContact CA-O 3.33Å; L214-Y216 PolarHBondContact O-N 2.87Å; Y216-K218 VanDerWaalsContact C-N 3.28Å; Y216-K218 PolarHBondContact O-N 3.44Å
217F93.9Very high91.1Very high2 Ų239.6 Ų39.61%0.00921%0.21CC..  trans-8465.7-178.3-67.7-91.4000111.9L148 L150 L155 I186 I189 L192 L214 S219 L220 V239L148-F217 HydrophobicContact CD2-CE1 4.4Å; L150-F217 HydrophobicContact CD1-CZ 4.36Å; L155-F217 HydrophobicContact CD2-CE2 3.78Å; L155-F217 HydrophobicContact CD2-CZ 3.65Å; I186-F217 HydrophobicContact CB-CD1 4.15Å; I186-F217 HydrophobicContact CB-CE1 3.78Å; I186-F217 HydrophobicContact CB-CZ 4.11Å; I186-F217 HydrophobicContact CG2-CE1 4.15Å; I186-F217 HydrophobicContact CG2-CZ 4.27Å; I186-F217 WeakPolarHBondContact O-CD1 3.29Å; I189-F217 HydrophobicContact CB-CD1 4.3Å; I189-F217 HydrophobicContact CG2-CD1 4.4Å; L192-F217 HydrophobicContact CD1-CE1 3.97Å; L192-F217 HydrophobicContact CD1-CZ 4.24Å; L192-F217 HydrophobicContact CD2-CD1 4.14Å; L192-F217 HydrophobicContact CD2-CD2 4.39Å; L192-F217 HydrophobicContact CD2-CE1 3.87Å; L192-F217 HydrophobicContact CD2-CE2 4.14Å; L192-F217 HydrophobicContact CD2-CG 4.39Å; L192-F217 HydrophobicContact CD2-CZ 3.87Å; L192-F217 HydrophobicContact CG-CE1 4.41Å; L214-F217 HydrophobicContact CD2-CD2 4.11Å; L214-F217 HydrophobicContact CD2-CE2 4.34Å; L214-F217 PolarHBondContact O-N 3.07Å; F217-S219 PolarHBondContact O-N 2.91Å; F217-S219 VanDerWaalsContact O-N 3.15Å; F217-L220 HydrophobicContact CB-CB 4.13Å; F217-L220 HydrophobicContact CB-CD2 4.33Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 2.68Å; F217-V239 HydrophobicContact CB-CG1 4.41Å
218K91.1Very high91Very high131 Ų13138.9 Ų38.957%0.5721%0.207SC*.THydrogen-bonded Turntrans-62.9-24.1-168.8-64.3-179.7-176.8173.90114.7Y216 K242Y216-K218 VanDerWaalsContact C-N 3.28Å; Y216-K218 PolarHBondContact O-N 3.44Å; K218-K242 VanDerWaalsContact O-CD 3.31Å; K218-K242 WeakPolarHBondContact O-CD 3.48Å; K218-K242 PolarHBondContact O-NZ 3.02Å
219S93.8Very high90.8Very high43 Ų4339 Ų3930%0.30120%0.203SC..THydrogen-bonded Turntrans-104.86.6-175.9-580000114.2S187 I189 F217 K221S187-S219 WeakPolarHBondContact O-CB 3.31Å; S187-S219 PolarHBondContact O-N 3.17Å; S187-S219 VanDerWaalsContact O-N 3.15Å; S187-S219 PolarHBondContact O-OG 3.29Å; I189-S219 CarbonylContact O-C 3.55Å; I189-S219 VanDerWaalsContact O-C 3.27Å; F217-S219 PolarHBondContact O-N 2.91Å; F217-S219 VanDerWaalsContact O-N 3.15Å; S219-K221 PolarHBondContact O-N 2.89Å
220L94.7Very high90.7Very high1 Ų136.7 Ų36.71%0.00519%0.186CC..  trans-62.1130.1-170.3-161.967.2000113.1I189 L192 F217 T222 L223 V239 K242 L243I189-L220 HydrophobicContact CG2-CD1 4.35Å; I189-L220 PolarHBondContact O-N 3.08Å; L192-L220 HydrophobicContact CB-CD1 3.55Å; F217-L220 HydrophobicContact CB-CB 4.13Å; F217-L220 HydrophobicContact CB-CD2 4.33Å; F217-L220 WeakPolarHBondContact O-CB 3.4Å; F217-L220 PolarHBondContact O-N 2.68Å; L220-T222 WeakPolarHBondContact CD1-O 3.34Å; L220-L223 HydrophobicContact CD2-CB 4.29Å; L220-L223 HydrophobicContact CD2-CD1 4.45Å; L220-V239 HydrophobicContact CB-CG1 4.33Å; L220-V239 HydrophobicContact CD2-CB 4.38Å; L220-V239 HydrophobicContact CD2-CG1 4.27Å; L220-K242 WeakPolarHBondContact O-CB 3.35Å; L220-L243 HydrophobicContact CB-CD2 4.45Å; L220-L243 HydrophobicContact CD2-CD2 3.98Å; L220-L243 HydrophobicContact CG-CD2 3.82Å
221K94.6Very high90.4Very high85 Ų8540.6 Ų40.637%0.3721%0.211SC..  trans-120.5-34.2178.7-63.1-56.6-176.3179.60112.8R190 S219 K242 V244 A245R190-K221 HydrophobicContact CB-CB 4.44Å; R190-K221 HydrophobicContact CB-CG 4.3Å; R190-K221 WeakPolarHBondContact O-CA 3.4Å; R190-K221 PolarHBondContact O-N 2.82Å; S219-K221 PolarHBondContact O-N 2.89Å; K221-K242 WeakPolarHBondContact CD-O 3.46Å; K221-K242 PolarHBondContact NZ-O 3.33Å; K221-V244 HydrophobicContact CD-CG2 4.34Å; K221-V244 PolarHBondContact O-N 3.31Å; K221-A245 PolarHBondContact O-N 3.15Å; K221-A245 VanDerWaalsContact O-N 3.08Å
222T95.5Very high90.1Very high31 Ų3139.6 Ų39.619%0.1920%0.2CC..EExtended strand (participates in β ladder)trans-126130.1-179.4-56.70000109.3R190 E191 L192 L220 A245R190-T222 PolarHBondContact O-N 3.42Å; E191-T222 WeakPolarHBondContact CA-O 3.43Å; E191-T222 HydrophobicContact CG-CG2 3.95Å; L192-T222 PolarHBondContact N-O 3.31Å; L220-T222 WeakPolarHBondContact CD1-O 3.34Å; T222-A245 WeakPolarHBondContact CA-O 3.35Å; T222-A245 HydrophobicContact CG2-CB 4.03Å
223L94.4Very high89.8Confident0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-126.8125.6175177.360.3000109.5L192 I194 L214 L220 I225 F236 L243 A245 L246 S247L192-L223 HydrophobicContact CB-CD1 4.13Å; L192-L223 HydrophobicContact CD2-CD1 4.07Å; L192-L223 HydrophobicContact CG-CD1 4.18Å; L192-L223 WeakPolarHBondContact O-CA 3.4Å; I194-L223 HydrophobicContact CD1-CD1 3.87Å; I194-L223 HydrophobicContact CG1-CD1 4.16Å; L214-L223 HydrophobicContact CD1-CD2 3.71Å; L220-L223 HydrophobicContact CD2-CB 4.29Å; L220-L223 HydrophobicContact CD2-CD1 4.45Å; L223-I225 HydrophobicContact CD1-CG1 4.25Å; L223-I225 HydrophobicContact CD2-CD1 3.97Å; L223-I225 HydrophobicContact CD2-CG1 4.29Å; L223-I225 HydrophobicContact CG-CD1 4.2Å; L223-I225 HydrophobicContact CG-CG1 4.01Å; L223-F236 HydrophobicContact CD2-CE1 3.87Å; L223-L243 HydrophobicContact CB-CD1 4.41Å; L223-L243 HydrophobicContact CB-CD2 3.94Å; L223-L243 HydrophobicContact CD2-CD1 4.41Å; L223-A245 PolarHBondContact N-O 3.33Å; L223-L246 HydrophobicContact CB-CD1 4.02Å; L223-L246 HydrophobicContact CD2-CD1 3.96Å; L223-L246 HydrophobicContact CG-CD1 3.99Å; L223-L246 CarbonylContact O-C 3.57Å; L223-L246 WeakPolarHBondContact O-CA 3.35Å; L223-S247 PolarHBondContact O-N 3.29Å
224Q93.8Very high89.6Confident45 Ų4539.7 Ų39.721%0.2121%0.207CC..EExtended strand (participates in β ladder)trans-114.6127.2171.3-178.817330.400109.6L192 K193 I194 S247 H249L192-Q224 PolarHBondContact O-N 3.1Å; K193-Q224 CarbonylContact C-O 3.2Å; K193-Q224 WeakPolarHBondContact CA-O 3.43Å; K193-Q224 HydrophobicContact CB-CB 4.41Å; K193-Q224 VanDerWaalsContact CD-OE1 3.3Å; K193-Q224 VanDerWaalsContact CE-OE1 3.23Å; K193-Q224 HydrophobicContact CG-CB 4.18Å; K193-Q224 HydrophobicContact CG-CG 4.22Å; I194-Q224 PolarHBondContact N-O 2.86Å; Q224-S247 CarbonylContact C-O 3.55Å; Q224-S247 WeakPolarHBondContact CA-O 3.06Å; Q224-H249 PolarHBondContact NE2-CD2 2.95Å; Q224-H249 PolarHBondContact NE2-NE2 3.42Å
225I91.8Very high89.2Confident1 Ų140.9 Ų40.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-120.1128.1178.9-57.8162.2000107.9I194 L223 C228 I233 F236 L246 S247 V248 H249I194-I225 HydrophobicContact CD1-CG1 4.38Å; L223-I225 HydrophobicContact CD1-CG1 4.25Å; L223-I225 HydrophobicContact CD2-CD1 3.97Å; L223-I225 HydrophobicContact CD2-CG1 4.29Å; L223-I225 HydrophobicContact CG-CD1 4.2Å; L223-I225 HydrophobicContact CG-CG1 4.01Å; I225-C228 HydrophobicContact CG2-CB 3.99Å; I225-C228 VanDerWaalsContact CG2-O 3.27Å; I225-C228 WeakPolarHBondContact CG2-O 3.38Å; I225-I233 HydrophobicContact CD1-CD1 3.49Å; I225-I233 VanDerWaalsContact CD1-CD1 3.49Å; I225-I233 HydrophobicContact CG1-CD1 3.93Å; I225-I233 HydrophobicContact CG2-CD1 4.29Å; I225-F236 HydrophobicContact CD1-CZ 4.36Å; I225-L246 HydrophobicContact CD1-CD1 4.19Å; I225-S247 PolarHBondContact N-O 2.9Å; I225-V248 HydrophobicContact CB-CG1 4.41Å; I225-V248 HydrophobicContact CB-CG2 4.43Å; I225-V248 HydrophobicContact CD1-CG2 4.26Å; I225-V248 CarbonylContact O-C 3.48Å; I225-V248 VanDerWaalsContact O-CA 3.29Å; I225-V248 WeakPolarHBondContact O-CA 3.44Å; I225-H249 PolarHBondContact O-N 2.93Å
226S90.8Very high88.8Confident13 Ų1336.8 Ų36.89%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-139.1133.9176.462.60000110.5I194 C195 G196 C228 H249I194-S226 PolarHBondContact O-N 2.94Å; I194-S226 PolarHBondContact O-OG 2.98Å; C195-S226 WeakPolarHBondContact CA-OG 3.44Å; G196-S226 PolarHBondContact N-O 3.39Å; S226-C228 PolarHBondContact O-N 3.17Å; S226-H249 WeakPolarHBondContact CA-O 3.43Å
227H86.9Confident88.3Confident58 Ų5839.6 Ų39.627%0.26922%0.216SC..SBendtrans5433.6179-53.6-86.8000114.1G196 N197 H249 N250 T251G196-H227 WeakPolarHBondContact CA-O 3.42Å; N197-H227 HydrophobicContact CB-CB 3.83Å; N197-H227 VanDerWaalsContact CB-CD2 3.43Å; N197-H227 WeakPolarHBondContact CB-CD2 3.18Å; N197-H227 PolarHBondContact ND2-CE1 3.31Å; N197-H227 PolarHBondContact ND2-ND1 3.31Å; N197-H227 PolarHBondContact ND2-NE2 2.88Å; H227-H249 PolarHBondContact N-O 3.46Å; H227-N250 WeakPolarHBondContact CE1-CB 3.31Å; H227-N250 PolarHBondContact CE1-ND2 3.35Å; H227-N250 WeakPolarHBondContact ND1-CB 3.31Å; H227-N250 PolarHBondContact NE2-ND2 2.91Å; H227-T251 PolarHBondContact N-OG1 2.93Å
228C85.9Confident87.8Confident0 Ų041 Ų410%023%0.229CC..SBendtrans-143.4121.2-178175.20000108.3P152 I194 I225 S226 P230 T251P152-C228 HydrophobicContact CG-CB 4.05Å; I194-C228 HydrophobicContact CG2-CB 4.36Å; I225-C228 HydrophobicContact CG2-CB 3.99Å; I225-C228 VanDerWaalsContact CG2-O 3.27Å; I225-C228 WeakPolarHBondContact CG2-O 3.38Å; S226-C228 PolarHBondContact O-N 3.17Å; C228-P230 VanDerWaalsContact O-CD 3.3Å; C228-P230 WeakPolarHBondContact O-CD 3.38Å; C228-T251 PolarHBondContact N-OG1 3.3Å; C228-T251 WeakPolarHBondContact O-CG2 3.18Å
229D78.6Confident87.7Confident61 Ų6134.9 Ų34.933%0.32620%0.202SC..  trans-64119.2-179.1-174-7.1000110.2V231 Q232 Y258D229-V231 PolarHBondContact O-N 3.09Å; D229-V231 WeakPolarHBondContact OD1-CG2 3.28Å; D229-V231 PolarHBondContact OD1-N 2.71Å; D229-Q232 HydrophobicContact CB-CG 4.34Å; D229-Q232 WeakPolarHBondContact O-CB 3.24Å; D229-Q232 PolarHBondContact O-N 3.4Å; D229-Y258 PolarHBondContact OD1-OH 2.8Å
230P80.9Confident87.1Confident11 Ų1132.9 Ų32.97%0.07119%0.188CC..G310 helixtrans-57.2-19.9177.9-2331.9000114.1C228 Q232 I233 V248 L252 Y258C228-P230 VanDerWaalsContact O-CD 3.3Å; C228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-Q232 PolarHBondContact O-N 2.89Å; P230-I233 WeakPolarHBondContact O-CB 3.41Å; P230-I233 PolarHBondContact O-N 2.91Å; P230-V248 HydrophobicContact CG-CG1 4.33Å; P230-L252 HydrophobicContact CG-CD2 4.09Å; P230-Y258 HydrophobicContact CB-CD1 4.21Å; P230-Y258 HydrophobicContact CB-CE1 3.65Å; P230-Y258 HydrophobicContact CG-CE1 4.09Å
231V80.6Confident86.5Confident96 Ų9637.1 Ų37.158%0.58222%0.218SC*.G310 helixtrans-59.7-27.9173.2176.20000112D229 I233 Y258D229-V231 PolarHBondContact O-N 3.09Å; D229-V231 WeakPolarHBondContact OD1-CG2 3.28Å; D229-V231 PolarHBondContact OD1-N 2.71Å; V231-I233 PolarHBondContact O-N 2.99Å; V231-Y258 HydrophobicContact CG2-CE1 3.76Å
232Q85.2Confident86.2Confident46 Ų4637.1 Ų37.122%0.21522%0.218CC..G310 helixtrans-76.4-10.5177.7-58.1-54.2-4100112.9S209 P211 F212 D229 P230S209-Q232 PolarHBondContact O-OE1 2.95Å; P211-Q232 CarbonylContact C-O 3.59Å; P211-Q232 VanDerWaalsContact CA-O 3.25Å; P211-Q232 WeakPolarHBondContact CA-O 3.48Å; F212-Q232 PolarHBondContact N-O 2.94Å; D229-Q232 HydrophobicContact CB-CG 4.34Å; D229-Q232 WeakPolarHBondContact O-CB 3.24Å; D229-Q232 PolarHBondContact O-N 3.4Å; P230-Q232 PolarHBondContact O-N 2.89Å
233I87.4Confident86Confident8 Ų835.7 Ų35.74%0.04121%0.209CC..EExtended strand (participates in β ladder)trans-95.6106.6-174.7-49.9-174.1000109.1I194 F212 L214 I225 P230 V231 F236I194-I233 HydrophobicContact CD1-CD1 4.26Å; F212-I233 HydrophobicContact CD2-CG2 4.49Å; F212-I233 HydrophobicContact CE1-CG1 4.28Å; F212-I233 HydrophobicContact CE2-CB 4.23Å; F212-I233 HydrophobicContact CE2-CD1 4.06Å; F212-I233 HydrophobicContact CE2-CG1 3.68Å; F212-I233 HydrophobicContact CE2-CG2 3.94Å; F212-I233 HydrophobicContact CZ-CB 4.48Å; F212-I233 HydrophobicContact CZ-CD1 3.84Å; F212-I233 HydrophobicContact CZ-CG1 3.49Å; F212-I233 VanDerWaalsContact CZ-CG1 3.49Å; L214-I233 HydrophobicContact CD1-CG2 3.53Å; L214-I233 HydrophobicContact CD2-CG2 4.36Å; L214-I233 HydrophobicContact CG-CG2 3.59Å; I225-I233 HydrophobicContact CD1-CD1 3.49Å; I225-I233 VanDerWaalsContact CD1-CD1 3.49Å; I225-I233 HydrophobicContact CG1-CD1 3.93Å; I225-I233 HydrophobicContact CG2-CD1 4.29Å; P230-I233 WeakPolarHBondContact O-CB 3.41Å; P230-I233 PolarHBondContact O-N 2.91Å; V231-I233 PolarHBondContact O-N 2.99Å; I233-F236 HydrophobicContact CB-CD2 4.42Å; I233-F236 HydrophobicContact CB-CE1 4.44Å; I233-F236 HydrophobicContact CB-CE2 3.57Å; I233-F236 HydrophobicContact CB-CZ 3.6Å; I233-F236 HydrophobicContact CD1-CZ 4Å; I233-F236 HydrophobicContact CG1-CZ 4.32Å; I233-F236 HydrophobicContact CG2-CD1 4.43Å; I233-F236 HydrophobicContact CG2-CD2 4.35Å; I233-F236 HydrophobicContact CG2-CE1 3.85Å; I233-F236 HydrophobicContact CG2-CE2 3.76Å; I233-F236 HydrophobicContact CG2-CZ 3.5Å; I233-F236 WeakPolarHBondContact O-CD2 3.21Å; I233-F236 WeakPolarHBondContact O-CE2 3.3Å
234G87Confident86Confident34 Ų3437.6 Ų37.635%0.35122%0.22SC..EExtended strand (participates in β ladder)trans-86.1163.117400000113.2F212 L214F212-G234 PolarHBondContact O-N 2.91Å; L214-G234 PolarHBondContact N-O 3.45Å
235A84.6Confident86.1Confident25 Ų2536 Ų3621%0.20722%0.215CC..  trans61.438.5175.700000115S213 H215 D237 A238S213-A235 WeakPolarHBondContact OG-CB 3.34Å; H215-A235 HydrophobicContact CB-CB 3.94Å; A235-D237 VanDerWaalsContact C-OD1 3.28Å; A235-D237 VanDerWaalsContact CA-OD1 3.24Å; A235-D237 WeakPolarHBondContact CA-OD1 3.23Å; A235-D237 PolarHBondContact O-N 3.44Å; A235-A238 HydrophobicContact CB-CB 4.2Å; A235-A238 WeakPolarHBondContact O-CB 3.3Å; A235-A238 PolarHBondContact O-N 2.97Å
236F82.7Confident86.2Confident21 Ų2136.3 Ų36.39%0.09222%0.217CC..Hα-helixtrans-61.3-30.8171.8-85.7-60.3000112.9L214 L223 I225 I233 A238 V239 G240 A264 F265L214-F236 HydrophobicContact CD1-CD1 4.05Å; L214-F236 HydrophobicContact CD1-CE1 3.91Å; L223-F236 HydrophobicContact CD2-CE1 3.87Å; I225-F236 HydrophobicContact CD1-CZ 4.36Å; I233-F236 HydrophobicContact CB-CD2 4.42Å; I233-F236 HydrophobicContact CB-CE1 4.44Å; I233-F236 HydrophobicContact CB-CE2 3.57Å; I233-F236 HydrophobicContact CB-CZ 3.6Å; I233-F236 HydrophobicContact CD1-CZ 4Å; I233-F236 HydrophobicContact CG1-CZ 4.32Å; I233-F236 HydrophobicContact CG2-CD1 4.43Å; I233-F236 HydrophobicContact CG2-CD2 4.35Å; I233-F236 HydrophobicContact CG2-CE1 3.85Å; I233-F236 HydrophobicContact CG2-CE2 3.76Å; I233-F236 HydrophobicContact CG2-CZ 3.5Å; I233-F236 WeakPolarHBondContact O-CD2 3.21Å; I233-F236 WeakPolarHBondContact O-CE2 3.3Å; F236-A238 VanDerWaalsContact C-N 3.26Å; F236-A238 PolarHBondContact O-N 3.4Å; F236-V239 HydrophobicContact CD1-CG2 4.47Å; F236-V239 WeakPolarHBondContact O-CG2 3.49Å; F236-V239 PolarHBondContact O-N 3.36Å; F236-G240 WeakPolarHBondContact O-CA 3.3Å; F236-G240 PolarHBondContact O-N 2.94Å; F236-A264 HydrophobicContact CB-CB 3.81Å; F236-F265 HydrophobicContact CB-CE2 4.46Å; F236-F265 HydrophobicContact CB-CZ 4.28Å; F236-F265 AromaticContact CD1-CE1 3.96Å; F236-F265 HydrophobicContact CD1-CE1 3.96Å; F236-F265 HydrophobicContact CD1-CE2 4.14Å; F236-F265 AromaticContact CD1-CZ 3.28Å; F236-F265 HydrophobicContact CD1-CZ 3.28Å; F236-F265 HydrophobicContact CE1-CE1 4.28Å; F236-F265 AromaticContact CE1-CZ 3.58Å; F236-F265 HydrophobicContact CE1-CZ 3.58Å; F236-F265 HydrophobicContact CG-CE2 4.27Å; F236-F265 AromaticContact CG-CZ 3.84Å; F236-F265 HydrophobicContact CG-CZ 3.84Å; F236-F265 HydrophobicContact CZ-CZ 4.34Å
237D80.3Confident86.3Confident119 Ų11936.4 Ų36.464%0.63622%0.217SC*.Hα-helixtrans-59.6-34.3174.163-47.4000112.7A235 V239A235-D237 VanDerWaalsContact C-OD1 3.28Å; A235-D237 VanDerWaalsContact CA-OD1 3.24Å; A235-D237 WeakPolarHBondContact CA-OD1 3.23Å; A235-D237 PolarHBondContact O-N 3.44Å; D237-V239 VanDerWaalsContact C-N 3.32Å; D237-V239 PolarHBondContact O-N 3.27Å
238A84Confident86.5Confident33 Ų3334 Ų3427%0.27321%0.206SC..Hα-helixtrans-67.1-31.5179.300000113.2A235 F236A235-A238 HydrophobicContact CB-CB 4.2Å; A235-A238 WeakPolarHBondContact O-CB 3.3Å; A235-A238 PolarHBondContact O-N 2.97Å; F236-A238 VanDerWaalsContact C-N 3.26Å; F236-A238 PolarHBondContact O-N 3.4Å
239V87.6Confident86.7Confident2 Ų235.1 Ų35.11%0.01221%0.212CC..Hα-helixtrans-107-24.1-177.5-65.20000113.4L214 F217 L220 F236 D237 S241 K242 L243L214-V239 HydrophobicContact CB-CG1 4.03Å; L214-V239 HydrophobicContact CB-CG2 4.15Å; L214-V239 HydrophobicContact CD1-CG2 3.95Å; L214-V239 WeakPolarHBondContact O-CG1 3.45Å; F217-V239 HydrophobicContact CB-CG1 4.41Å; L220-V239 HydrophobicContact CB-CG1 4.33Å; L220-V239 HydrophobicContact CD2-CB 4.38Å; L220-V239 HydrophobicContact CD2-CG1 4.27Å; F236-V239 HydrophobicContact CD1-CG2 4.47Å; F236-V239 WeakPolarHBondContact O-CG2 3.49Å; F236-V239 PolarHBondContact O-N 3.36Å; D237-V239 VanDerWaalsContact C-N 3.32Å; D237-V239 PolarHBondContact O-N 3.27Å; V239-S241 VanDerWaalsContact C-N 3.32Å; V239-S241 PolarHBondContact O-N 3.49Å; V239-K242 PolarHBondContact O-N 3.23Å; V239-L243 HydrophobicContact CB-CD1 4.28Å; V239-L243 HydrophobicContact CB-CG 4.4Å; V239-L243 HydrophobicContact CG2-CD1 3.84Å; V239-L243 HydrophobicContact CG2-CG 4.49Å; V239-L243 PolarHBondContact O-N 2.99Å; V239-L243 VanDerWaalsContact O-N 3.09Å
240G81.4Confident87.1Confident0 Ų036.1 Ų36.10%022%0.217CC..Hα-helixtrans-63.9-32.4-164.500000114.5F236 K242 A264F236-G240 WeakPolarHBondContact O-CA 3.3Å; F236-G240 PolarHBondContact O-N 2.94Å; G240-K242 PolarHBondContact O-N 2.82Å; G240-A264 CarbonylContact C-O 3.57Å; G240-A264 WeakPolarHBondContact CA-O 3.29Å; G240-A264 VanDerWaalsContact O-O 3.12Å
241S83.3Confident87.2Confident90 Ų9037.4 Ų37.463%0.62923%0.225SC*.THydrogen-bonded Turntrans-67.7-22.6175.461.60000113.7V239 A264V239-S241 VanDerWaalsContact C-N 3.32Å; V239-S241 PolarHBondContact O-N 3.49Å; S241-A264 PolarHBondContact N-O 3.07Å
242K88.4Confident87.3Confident86 Ų8633.3 Ų33.337%0.37420%0.199SC..THydrogen-bonded Turntrans-99.7-23.4-178.1-64.7175.3-178.3169.70112.8K218 L220 K221 V239 G240 V244K218-K242 VanDerWaalsContact O-CD 3.31Å; K218-K242 WeakPolarHBondContact O-CD 3.48Å; K218-K242 PolarHBondContact O-NZ 3.02Å; L220-K242 WeakPolarHBondContact O-CB 3.35Å; K221-K242 WeakPolarHBondContact CD-O 3.46Å; K221-K242 PolarHBondContact NZ-O 3.33Å; V239-K242 PolarHBondContact O-N 3.23Å; G240-K242 PolarHBondContact O-N 2.82Å; K242-V244 PolarHBondContact O-N 2.94Å
243L91.3Very high87.1Confident0 Ų038.2 Ų38.20%022%0.222CC..  trans-64.2126.8-179.8-79.8174.5000111.3L220 L223 V239 F265 G267 I268L220-L243 HydrophobicContact CB-CD2 4.45Å; L220-L243 HydrophobicContact CD2-CD2 3.98Å; L220-L243 HydrophobicContact CG-CD2 3.82Å; L223-L243 HydrophobicContact CB-CD1 4.41Å; L223-L243 HydrophobicContact CB-CD2 3.94Å; L223-L243 HydrophobicContact CD2-CD1 4.41Å; V239-L243 HydrophobicContact CB-CD1 4.28Å; V239-L243 HydrophobicContact CB-CG 4.4Å; V239-L243 HydrophobicContact CG2-CD1 3.84Å; V239-L243 HydrophobicContact CG2-CG 4.49Å; V239-L243 PolarHBondContact O-N 2.99Å; V239-L243 VanDerWaalsContact O-N 3.09Å; L243-F265 HydrophobicContact CB-CD1 4.47Å; L243-F265 HydrophobicContact CD1-CD1 3.92Å; L243-F265 HydrophobicContact CD1-CE1 3.51Å; L243-G267 CarbonylContact O-C 3.5Å; L243-I268 PolarHBondContact O-N 3.19Å
244V94.5Very high86.7Confident40 Ų4040.6 Ų40.624%0.24224%0.237CC..  trans-105-33.3177.7179.10000110.3K221 K242 Q269 R270K221-V244 HydrophobicContact CD-CG2 4.34Å; K221-V244 PolarHBondContact O-N 3.31Å; K242-V244 PolarHBondContact O-N 2.94Å; V244-Q269 HydrophobicContact CG1-CB 4.05Å; V244-Q269 HydrophobicContact CG1-CG 4.09Å; V244-Q269 PolarHBondContact O-N 2.87Å; V244-R270 PolarHBondContact O-N 3.4Å
245A95.2Very high86Confident11 Ų1139.6 Ų39.69%0.09122%0.224CC..EExtended strand (participates in β ladder)trans-131132.2-179.300000111.5K221 T222 L223 R270K221-A245 PolarHBondContact O-N 3.15Å; K221-A245 VanDerWaalsContact O-N 3.08Å; T222-A245 WeakPolarHBondContact CA-O 3.35Å; T222-A245 HydrophobicContact CG2-CB 4.03Å; L223-A245 PolarHBondContact N-O 3.33Å; A245-R270 VanDerWaalsContact CA-O 3.31Å; A245-R270 WeakPolarHBondContact CA-O 3.31Å; A245-R270 HydrophobicContact CB-CB 4.12Å
246L92.8Very high84.8Confident9 Ų940.7 Ų40.75%0.04723%0.233CC..EExtended strand (participates in β ladder)trans-127133.4172.5177.762.8000109.1L223 I225 V248 L261 F265 I268 R270 L271 D272L223-L246 HydrophobicContact CB-CD1 4.02Å; L223-L246 HydrophobicContact CD2-CD1 3.96Å; L223-L246 HydrophobicContact CG-CD1 3.99Å; L223-L246 CarbonylContact O-C 3.57Å; L223-L246 WeakPolarHBondContact O-CA 3.35Å; I225-L246 HydrophobicContact CD1-CD1 4.19Å; L246-V248 HydrophobicContact CD1-CG2 4.12Å; L246-V248 HydrophobicContact CD2-CG2 4.33Å; L246-V248 HydrophobicContact CG-CG2 4.05Å; L246-L261 HydrophobicContact CD2-CD2 4.21Å; L246-F265 HydrophobicContact CD2-CD1 4.42Å; L246-F265 HydrophobicContact CD2-CE1 4.04Å; L246-F265 HydrophobicContact CD2-CZ 4.16Å; L246-I268 HydrophobicContact CB-CD1 3.51Å; L246-I268 HydrophobicContact CB-CG1 4.46Å; L246-I268 HydrophobicContact CD2-CD1 3.85Å; L246-I268 HydrophobicContact CG-CD1 4.34Å; L246-R270 PolarHBondContact N-O 3.34Å; L246-L271 HydrophobicContact CB-CD1 4.01Å; L246-L271 HydrophobicContact CD2-CD1 4Å; L246-L271 HydrophobicContact CG-CD1 4.09Å; L246-L271 CarbonylContact O-C 3.56Å; L246-L271 WeakPolarHBondContact O-CA 3.46Å; L246-D272 PolarHBondContact O-N 3.01Å
247S93.2Very high83.4Confident14 Ų1445.8 Ų45.810%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-126.7129.6175.2166.50000109L223 Q224 I225 H249 D272L223-S247 PolarHBondContact O-N 3.29Å; Q224-S247 CarbonylContact C-O 3.55Å; Q224-S247 WeakPolarHBondContact CA-O 3.06Å; I225-S247 PolarHBondContact N-O 2.9Å; S247-H249 PolarHBondContact OG-CD2 3.21Å; S247-H249 PolarHBondContact OG-CE1 2.96Å; S247-H249 VanDerWaalsContact OG-CE1 3.23Å; S247-H249 PolarHBondContact OG-NE2 2.83Å; S247-D272 CarbonylContact C-O 3.53Å; S247-D272 VanDerWaalsContact CA-O 3.23Å; S247-D272 WeakPolarHBondContact CA-O 3.28Å
248V91Very high82.5Confident7 Ų741.9 Ų41.94%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-134.1123.7177.2-170.80000108.8I225 P230 L246 L252 D272 L273 N276I225-V248 HydrophobicContact CB-CG1 4.41Å; I225-V248 HydrophobicContact CB-CG2 4.43Å; I225-V248 HydrophobicContact CD1-CG2 4.26Å; I225-V248 CarbonylContact O-C 3.48Å; I225-V248 VanDerWaalsContact O-CA 3.29Å; I225-V248 WeakPolarHBondContact O-CA 3.44Å; P230-V248 HydrophobicContact CG-CG1 4.33Å; L246-V248 HydrophobicContact CD1-CG2 4.12Å; L246-V248 HydrophobicContact CD2-CG2 4.33Å; L246-V248 HydrophobicContact CG-CG2 4.05Å; V248-L252 HydrophobicContact CB-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CD2 4.21Å; V248-L252 HydrophobicContact CG1-CG 3.73Å; V248-D272 PolarHBondContact N-O 3Å; V248-L273 HydrophobicContact CB-CD2 4Å; V248-L273 HydrophobicContact CG2-CD2 4.3Å; V248-L273 WeakPolarHBondContact O-CA 3.34Å; V248-N276 PolarHBondContact O-ND2 3.26Å
249H91.4Very high81.1Confident25 Ų2545.5 Ų45.512%0.11625%0.253CS..EExtended strand (participates in β ladder)trans-131.3153.6-176.5-51.9-61.8000112.6Q224 I225 S226 H227 S247 T251 D272 T274Q224-H249 PolarHBondContact NE2-CD2 2.95Å; Q224-H249 PolarHBondContact NE2-NE2 3.42Å; I225-H249 PolarHBondContact O-N 2.93Å; S226-H249 WeakPolarHBondContact CA-O 3.43Å; H227-H249 PolarHBondContact N-O 3.46Å; S247-H249 PolarHBondContact OG-CD2 3.21Å; S247-H249 PolarHBondContact OG-CE1 2.96Å; S247-H249 VanDerWaalsContact OG-CE1 3.23Å; S247-H249 PolarHBondContact OG-NE2 2.83Å; H249-T251 PolarHBondContact O-N 3.44Å; H249-T251 PolarHBondContact O-OG1 3.18Å; H249-D272 IonicContact CE1-OD1 2.68Å; H249-D272 IonicContact CE1-OD2 3.84Å; H249-T274 PolarHBondContact ND1-O 3.14Å
250N87.2Confident79.4Confident81 Ų8151 Ų5143%0.43328%0.282SS..SBendtrans51.931.1170.2-56.5-50.8000114.4H227 C275 N276H227-N250 WeakPolarHBondContact CE1-CB 3.31Å; H227-N250 PolarHBondContact CE1-ND2 3.35Å; H227-N250 WeakPolarHBondContact ND1-CB 3.31Å; H227-N250 PolarHBondContact NE2-ND2 2.91Å; N250-C275 WeakPolarHBondContact CA-O 3.43Å; N250-C275 PolarHBondContact N-O 2.92Å; N250-C275 WeakPolarHBondContact OD1-CB 3.39Å; N250-C275 PolarHBondContact OD1-O 3.03Å; N250-C275 VanDerWaalsContact OD1-O 3.07Å; N250-N276 PolarHBondContact N-OD1 3Å; N250-N276 VanDerWaalsContact N-OD1 3.14Å
251T81.8Confident78.1Confident39 Ų3953.4 Ų53.424%0.23929%0.294CS..  trans-138.4-42.5-172.5-50.70000113H227 C228 H249 N276H227-T251 PolarHBondContact N-OG1 2.93Å; C228-T251 PolarHBondContact N-OG1 3.3Å; C228-T251 WeakPolarHBondContact O-CG2 3.18Å; H249-T251 PolarHBondContact O-N 3.44Å; H249-T251 PolarHBondContact O-OG1 3.18Å; T251-N276 PolarHBondContact N-OD1 2.95Å
252L82.6Confident76.9Confident9 Ų951.9 Ų51.95%0.04728%0.277CS..  trans-83.7130.8-169.2-58.6178.9000112P230 V248 Y258 L273 N276 C277 L278P230-L252 HydrophobicContact CG-CD2 4.09Å; V248-L252 HydrophobicContact CB-CD1 4.06Å; V248-L252 HydrophobicContact CG1-CD1 3.8Å; V248-L252 HydrophobicContact CG1-CD2 4.21Å; V248-L252 HydrophobicContact CG1-CG 3.73Å; L252-Y258 HydrophobicContact CD2-CE2 3.54Å; L252-Y258 WeakPolarHBondContact CD2-OH 3.47Å; L252-L273 HydrophobicContact CD1-CD2 3.88Å; L252-N276 HydrophobicContact CB-CB 4.16Å; L252-N276 PolarHBondContact N-OD1 3.03Å; L252-N276 WeakPolarHBondContact O-CB 3.46Å; L252-C277 PolarHBondContact O-N 3.4Å; L252-L278 HydrophobicContact CB-CD2 3.96Å
253E81.9Confident75.3Confident150 Ų15053.6 Ų53.670%0.70129%0.289SS*.SBendtrans-96.1-33.8163.8-64.3-172173.900111.7C277E253-C277 HydrophobicContact CG-CB 4.37Å
254T78Confident73.8Confident58 Ų5854 Ų5436%0.35629%0.292SS..  trans-142158.3175.975.60000110.9
255I72.6Confident72.7Confident12 Ų1252.1 Ų52.16%0.06228%0.281CS..SBendtrans-88-17.6171.8-51.5-179.5000111.1N257 L261 L273 L278 I281 L284I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.43Å; I255-N257 VanDerWaalsContact O-N 3.17Å; I255-L261 HydrophobicContact CG2-CD1 4.35Å; I255-L273 HydrophobicContact CD1-CD1 3.75Å; I255-L273 HydrophobicContact CG1-CD1 4.41Å; I255-L278 HydrophobicContact CD1-CD1 4.15Å; I255-L278 HydrophobicContact CG1-CD1 4.13Å; I255-L278 HydrophobicContact CG1-CD2 3.88Å; I255-I281 HydrophobicContact CD1-CB 4.18Å; I255-I281 HydrophobicContact CD1-CG2 4.04Å; I255-L284 HydrophobicContact CD1-CD1 4.46Å; I255-L284 HydrophobicContact CD1-CD2 4.48Å; I255-L284 HydrophobicContact CG2-CD2 4.39Å
256A59.3Low71.9Confident49 Ų4959.3 Ų59.341%0.40531%0.306SS..THydrogen-bonded Turntrans-66.9-22-166.100000114.9Y258 C282A256-Y258 VanDerWaalsContact C-N 3.28Å; A256-Y258 PolarHBondContact O-N 2.9Å; A256-C282 VanDerWaalsContact CA-SG 3.53Å; A256-C282 PolarHBondContact N-SG 2.85Å; A256-C282 VanDerWaalsContact N-SG 3.4Å
257N54.4Low71.5Confident127 Ų12759.6 Ų59.668%0.67931%0.312SS*.THydrogen-bonded Turntrans-84.43.9-170-72.1-8.4000114.8I255I255-N257 VanDerWaalsContact C-N 3.27Å; I255-N257 PolarHBondContact O-N 3.43Å; I255-N257 VanDerWaalsContact O-N 3.17Å
258Y60.3Low71.3Confident37 Ų3759 Ų5915%0.14531%0.307CS..  trans-12172.4-174.4-50.8-82.8000110.4D229 P230 V231 L252 A256 D260 L261D229-Y258 PolarHBondContact OD1-OH 2.8Å; P230-Y258 HydrophobicContact CB-CD1 4.21Å; P230-Y258 HydrophobicContact CB-CE1 3.65Å; P230-Y258 HydrophobicContact CG-CE1 4.09Å; V231-Y258 HydrophobicContact CG2-CE1 3.76Å; L252-Y258 HydrophobicContact CD2-CE2 3.54Å; L252-Y258 WeakPolarHBondContact CD2-OH 3.47Å; A256-Y258 VanDerWaalsContact C-N 3.28Å; A256-Y258 PolarHBondContact O-N 2.9Å; Y258-D260 PolarHBondContact O-N 2.84Å; Y258-L261 HydrophobicContact CD2-CD1 4.19Å; Y258-L261 HydrophobicContact CG-CD1 4.14Å; Y258-L261 HydrophobicContact CG-CG 4.35Å; Y258-L261 VanDerWaalsContact O-CB 3.29Å; Y258-L261 WeakPolarHBondContact O-CB 3.42Å; Y258-L261 PolarHBondContact O-N 3.38Å
259D54.3Low71.5Confident110 Ų11063 Ų6359%0.58833%0.325SS*.Hα-helixtrans-56-28.8170.4-77.9-32.5000111.7L261 Q262D259-L261 PolarHBondContact O-N 3.42Å; D259-Q262 WeakPolarHBondContact O-CB 3.39Å; D259-Q262 PolarHBondContact O-N 3.21Å; D259-Q262 PolarHBondContact OD1-NE2 2.73Å
260D52.4Low71.7Confident118 Ų11867.6 Ų67.663%0.63134%0.342SS*.Hα-helixtrans-61.4-26.7172.5-66.2-31.3000113.2Y258 Q262 I263 A264Y258-D260 PolarHBondContact O-N 2.84Å; D260-Q262 PolarHBondContact O-N 3.44Å; D260-I263 PolarHBondContact O-N 3.16Å; D260-A264 VanDerWaalsContact O-CB 3.28Å; D260-A264 WeakPolarHBondContact O-CB 3.02Å; D260-A264 PolarHBondContact O-N 3.34Å
261L54.3Low72.1Confident49 Ų4964.3 Ų64.326%0.25732%0.324SS..Hα-helixtrans-62.8-30.8175.6-71.3171.9000111.5L246 I255 Y258 D259 F265L246-L261 HydrophobicContact CD2-CD2 4.21Å; I255-L261 HydrophobicContact CG2-CD1 4.35Å; Y258-L261 HydrophobicContact CD2-CD1 4.19Å; Y258-L261 HydrophobicContact CG-CD1 4.14Å; Y258-L261 HydrophobicContact CG-CG 4.35Å; Y258-L261 VanDerWaalsContact O-CB 3.29Å; Y258-L261 WeakPolarHBondContact O-CB 3.42Å; Y258-L261 PolarHBondContact O-N 3.38Å; D259-L261 PolarHBondContact O-N 3.42Å; L261-F265 HydrophobicContact CB-CD2 4.05Å; L261-F265 HydrophobicContact CB-CE2 4.28Å; L261-F265 HydrophobicContact CD2-CD2 3.48Å; L261-F265 VanDerWaalsContact CD2-CD2 3.48Å; L261-F265 HydrophobicContact CD2-CE2 3.12Å; L261-F265 HydrophobicContact CD2-CZ 3.86Å; L261-F265 HydrophobicContact CG-CD2 4.31Å; L261-F265 HydrophobicContact CG-CE2 4.12Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 PolarHBondContact O-N 3.14Å
262Q57.3Low72.7Confident58 Ų5864.6 Ų64.627%0.27132%0.324SS..Hα-helixtrans-72.3-32.4-174.4-57.3-177.529.300112.2D259 D260 N283D259-Q262 WeakPolarHBondContact O-CB 3.39Å; D259-Q262 PolarHBondContact O-N 3.21Å; D259-Q262 PolarHBondContact OD1-NE2 2.73Å; D260-Q262 PolarHBondContact O-N 3.44Å; Q262-N283 PolarHBondContact NE2-ND2 3.43Å
263I56.3Low73.2Confident122 Ų12264.5 Ų64.563%0.62632%0.323SS*.Hα-helixtrans-92.2-44.8-178-57.2177.2000110.4D260D260-I263 PolarHBondContact O-N 3.16Å
264A59.9Low73.9Confident8 Ų858.1 Ų58.17%0.06630%0.295CS..Hα-helixtrans-68.2-44-171.800000112F236 G240 S241 D260 R266F236-A264 HydrophobicContact CB-CB 3.81Å; G240-A264 CarbonylContact C-O 3.57Å; G240-A264 WeakPolarHBondContact CA-O 3.29Å; G240-A264 VanDerWaalsContact O-O 3.12Å; S241-A264 PolarHBondContact N-O 3.07Å; D260-A264 VanDerWaalsContact O-CB 3.28Å; D260-A264 WeakPolarHBondContact O-CB 3.02Å; D260-A264 PolarHBondContact O-N 3.34Å; A264-R266 PolarHBondContact O-N 3.02Å
265F71.4Confident74.7Confident1 Ų157.8 Ų57.80%0.00429%0.294CS..THydrogen-bonded Turntrans-100.938.2-161.9-60-79.6000115.7F236 L243 L246 L261 G267 I268 L287F236-F265 HydrophobicContact CB-CE2 4.46Å; F236-F265 HydrophobicContact CB-CZ 4.28Å; F236-F265 AromaticContact CD1-CE1 3.96Å; F236-F265 HydrophobicContact CD1-CE1 3.96Å; F236-F265 HydrophobicContact CD1-CE2 4.14Å; F236-F265 AromaticContact CD1-CZ 3.28Å; F236-F265 HydrophobicContact CD1-CZ 3.28Å; F236-F265 HydrophobicContact CE1-CE1 4.28Å; F236-F265 AromaticContact CE1-CZ 3.58Å; F236-F265 HydrophobicContact CE1-CZ 3.58Å; F236-F265 HydrophobicContact CG-CE2 4.27Å; F236-F265 AromaticContact CG-CZ 3.84Å; F236-F265 HydrophobicContact CG-CZ 3.84Å; F236-F265 HydrophobicContact CZ-CZ 4.34Å; L243-F265 HydrophobicContact CB-CD1 4.47Å; L243-F265 HydrophobicContact CD1-CD1 3.92Å; L243-F265 HydrophobicContact CD1-CE1 3.51Å; L246-F265 HydrophobicContact CD2-CD1 4.42Å; L246-F265 HydrophobicContact CD2-CE1 4.04Å; L246-F265 HydrophobicContact CD2-CZ 4.16Å; L261-F265 HydrophobicContact CB-CD2 4.05Å; L261-F265 HydrophobicContact CB-CE2 4.28Å; L261-F265 HydrophobicContact CD2-CD2 3.48Å; L261-F265 VanDerWaalsContact CD2-CD2 3.48Å; L261-F265 HydrophobicContact CD2-CE2 3.12Å; L261-F265 HydrophobicContact CD2-CZ 3.86Å; L261-F265 HydrophobicContact CG-CD2 4.31Å; L261-F265 HydrophobicContact CG-CE2 4.12Å; L261-F265 WeakPolarHBondContact O-CD2 3.32Å; L261-F265 PolarHBondContact O-N 3.14Å; F265-G267 PolarHBondContact O-N 3.19Å; F265-I268 HydrophobicContact CB-CB 4.41Å; F265-I268 HydrophobicContact CB-CD1 3.42Å; F265-I268 VanDerWaalsContact CB-CD1 3.42Å; F265-I268 HydrophobicContact CB-CG1 3.71Å; F265-I268 HydrophobicContact CD1-CD1 3.4Å; F265-I268 VanDerWaalsContact CD1-CD1 3.4Å; F265-I268 HydrophobicContact CD1-CG1 3.93Å; F265-I268 HydrophobicContact CE1-CD1 4.28Å; F265-I268 HydrophobicContact CG-CD1 3.54Å; F265-I268 HydrophobicContact CG-CG1 4.18Å; F265-I268 PolarHBondContact O-N 2.93Å; F265-I268 VanDerWaalsContact O-N 3.16Å; F265-L287 HydrophobicContact CB-CD2 4.1Å; F265-L287 WeakPolarHBondContact O-CD2 3.48Å
266R76.7Confident75.6Confident162 Ų16257.7 Ų57.761%0.61129%0.294SS*.THydrogen-bonded Turntrans-58.3-23.2179.4-68.4-172.2179.3-167.21.3113.4A264 F289A264-R266 PolarHBondContact O-N 3.02Å; R266-F289 WeakPolarHBondContact O-CD2 3.37Å
267G84.4Confident77.2Confident16 Ų1657.5 Ų57.517%0.16529%0.289CS..THydrogen-bonded Turntrans-89.7-7.3-178.800000116.5L243 F265 Q269L243-G267 CarbonylContact O-C 3.5Å; F265-G267 PolarHBondContact O-N 3.19Å; G267-Q269 PolarHBondContact O-N 3.15Å
268I90.7Very high79Confident2 Ų251.5 Ų51.51%0.0126%0.257CS..  trans-63130.9-174.6-76.6-176.9000110.9L243 L246 F265 L271 F289 L290L243-I268 PolarHBondContact O-N 3.19Å; L246-I268 HydrophobicContact CB-CD1 3.51Å; L246-I268 HydrophobicContact CB-CG1 4.46Å; L246-I268 HydrophobicContact CD2-CD1 3.85Å; L246-I268 HydrophobicContact CG-CD1 4.34Å; F265-I268 HydrophobicContact CB-CB 4.41Å; F265-I268 HydrophobicContact CB-CD1 3.42Å; F265-I268 VanDerWaalsContact CB-CD1 3.42Å; F265-I268 HydrophobicContact CB-CG1 3.71Å; F265-I268 HydrophobicContact CD1-CD1 3.4Å; F265-I268 VanDerWaalsContact CD1-CD1 3.4Å; F265-I268 HydrophobicContact CD1-CG1 3.93Å; F265-I268 HydrophobicContact CE1-CD1 4.28Å; F265-I268 HydrophobicContact CG-CD1 3.54Å; F265-I268 HydrophobicContact CG-CG1 4.18Å; F265-I268 PolarHBondContact O-N 2.93Å; F265-I268 VanDerWaalsContact O-N 3.16Å; I268-L271 HydrophobicContact CG2-CB 4.27Å; I268-F289 CarbonylContact O-C 3.52Å; I268-L290 HydrophobicContact CG2-CD1 3.87Å; I268-L290 WeakPolarHBondContact O-CA 3.45Å; I268-L290 PolarHBondContact O-N 2.89Å; I268-L290 VanDerWaalsContact O-N 3.14Å
269Q94.6Very high80.5Confident90 Ų9053.6 Ų53.642%0.42127%0.274SS..  trans-110.2-29.5173.2-59.9-179.219.600112.3V244 G267 F289 R291 E292V244-Q269 HydrophobicContact CG1-CB 4.05Å; V244-Q269 HydrophobicContact CG1-CG 4.09Å; V244-Q269 PolarHBondContact O-N 2.87Å; G267-Q269 PolarHBondContact O-N 3.15Å; Q269-F289 WeakPolarHBondContact CA-O 3.47Å; Q269-F289 HydrophobicContact CG-CB 4.15Å; Q269-R291 PolarHBondContact O-N 3.34Å; Q269-E292 PolarHBondContact O-N 2.8Å
270R96.3Very high82.2Confident122 Ų12253.5 Ų53.546%0.4627%0.27SS..EExtended strand (participates in β ladder)trans-127.4121.3-178.3-56.6-174.4-75.7176-1.5110.1V244 A245 L246 E292V244-R270 PolarHBondContact O-N 3.4Å; A245-R270 VanDerWaalsContact CA-O 3.31Å; A245-R270 WeakPolarHBondContact CA-O 3.31Å; A245-R270 HydrophobicContact CB-CB 4.12Å; L246-R270 PolarHBondContact N-O 3.34Å; R270-E292 WeakPolarHBondContact CA-O 3.47Å; R270-E292 HydrophobicContact CB-CB 4.32Å; R270-E292 WeakPolarHBondContact CD-OE2 3.5Å; R270-E292 HydrophobicContact CG-CB 3.99Å; R270-E292 HydrophobicContact CG-CG 4.22Å; R270-E292 WeakPolarHBondContact CG-OE2 3.46Å
271L94Very high83.9Confident12 Ų1247.9 Ų47.96%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-123.2115.5178.8-176.759.1000109.7L246 I268 L273 L284 L287 L290 E292 L293 N294L246-L271 HydrophobicContact CB-CD1 4.01Å; L246-L271 HydrophobicContact CD2-CD1 4Å; L246-L271 HydrophobicContact CG-CD1 4.09Å; L246-L271 CarbonylContact O-C 3.56Å; L246-L271 WeakPolarHBondContact O-CA 3.46Å; I268-L271 HydrophobicContact CG2-CB 4.27Å; L271-L273 HydrophobicContact CD1-CD2 3.92Å; L271-L273 HydrophobicContact CD1-CG 4.21Å; L271-L273 HydrophobicContact CD2-CD1 4.07Å; L271-L273 HydrophobicContact CD2-CG 4.39Å; L271-L273 HydrophobicContact CG-CD1 4.19Å; L271-L273 HydrophobicContact CG-CD2 4.23Å; L271-L273 HydrophobicContact CG-CG 3.96Å; L271-L284 HydrophobicContact CD2-CD2 3.81Å; L271-L287 HydrophobicContact CD2-CD1 4.12Å; L271-L290 HydrophobicContact CB-CD1 3.53Å; L271-E292 PolarHBondContact N-O 2.78Å; L271-L293 HydrophobicContact CB-CD1 4.14Å; L271-L293 HydrophobicContact CD2-CD1 4.05Å; L271-L293 HydrophobicContact CG-CD1 4.13Å; L271-L293 CarbonylContact O-C 3.46Å; L271-L293 WeakPolarHBondContact O-CA 3.45Å; L271-N294 PolarHBondContact O-N 3.26Å
272D95.3Very high85.2Confident44 Ų4446.5 Ų46.524%0.23523%0.234CC..EExtended strand (participates in β ladder)trans-110.6113.8177-173.9-6.9000110.5L246 S247 V248 H249 T274 N294L246-D272 PolarHBondContact O-N 3.01Å; S247-D272 CarbonylContact C-O 3.53Å; S247-D272 VanDerWaalsContact CA-O 3.23Å; S247-D272 WeakPolarHBondContact CA-O 3.28Å; V248-D272 PolarHBondContact N-O 3Å; H249-D272 IonicContact CE1-OD1 2.68Å; H249-D272 IonicContact CE1-OD2 3.84Å; D272-T274 WeakPolarHBondContact OD1-CB 3.42Å; D272-T274 PolarHBondContact OD1-N 3.2Å; D272-T274 PolarHBondContact OD1-OG1 3.1Å; D272-N294 HydrophobicContact CB-CB 4.27Å
273L94.1Very high86.1Confident7 Ų746.4 Ų46.44%0.03724%0.235CC..  trans-117.529.6179.4-57.5177.7000111V248 L252 I255 L271 N276 L278 N294 L295 N298V248-L273 HydrophobicContact CB-CD2 4Å; V248-L273 HydrophobicContact CG2-CD2 4.3Å; V248-L273 WeakPolarHBondContact O-CA 3.34Å; L252-L273 HydrophobicContact CD1-CD2 3.88Å; I255-L273 HydrophobicContact CD1-CD1 3.75Å; I255-L273 HydrophobicContact CG1-CD1 4.41Å; L271-L273 HydrophobicContact CD1-CD2 3.92Å; L271-L273 HydrophobicContact CD1-CG 4.21Å; L271-L273 HydrophobicContact CD2-CD1 4.07Å; L271-L273 HydrophobicContact CD2-CG 4.39Å; L271-L273 HydrophobicContact CG-CD1 4.19Å; L271-L273 HydrophobicContact CG-CD2 4.23Å; L271-L273 HydrophobicContact CG-CG 3.96Å; L273-N276 VanDerWaalsContact C-ND2 3.28Å; L273-N276 PolarHBondContact O-ND2 3.27Å; L273-L278 HydrophobicContact CB-CD1 3.99Å; L273-L278 HydrophobicContact CD1-CD1 4.03Å; L273-N294 WeakPolarHBondContact CA-O 3.35Å; L273-N294 PolarHBondContact N-O 3.41Å; L273-L295 HydrophobicContact CB-CD2 4.1Å; L273-L295 HydrophobicContact CD1-CD2 4.04Å; L273-N298 PolarHBondContact O-ND2 2.67Å
274T95.5Very high87.5Confident17 Ų1741 Ų4110%0.10421%0.208CC..  trans-63.5150.4-178.7-58.40000112.3H249 D272 N276 N294 S296 N297H249-T274 PolarHBondContact ND1-O 3.14Å; D272-T274 WeakPolarHBondContact OD1-CB 3.42Å; D272-T274 PolarHBondContact OD1-N 3.2Å; D272-T274 PolarHBondContact OD1-OG1 3.1Å; T274-N276 PolarHBondContact O-N 3.41Å; T274-N276 PolarHBondContact O-ND2 3.41Å; T274-N294 PolarHBondContact OG1-ND2 3.29Å; T274-N294 PolarHBondContact OG1-OD1 2.91Å; T274-N294 VanDerWaalsContact OG1-OD1 3.07Å; T274-S296 VanDerWaalsContact CA-O 3.23Å; T274-S296 WeakPolarHBondContact CA-O 3.49Å; T274-S296 WeakPolarHBondContact CG2-O 3.34Å; T274-N297 HydrophobicContact CG2-CB 4.37Å
275C95.1Very high88.6Confident50 Ų5043.9 Ų43.934%0.33822%0.22SC..SBendtrans58.645.5175.7-650000112.9N250 S296 N297N250-C275 WeakPolarHBondContact CA-O 3.43Å; N250-C275 PolarHBondContact N-O 2.92Å; N250-C275 WeakPolarHBondContact OD1-CB 3.39Å; N250-C275 PolarHBondContact OD1-O 3.03Å; N250-C275 VanDerWaalsContact OD1-O 3.07Å; C275-S296 PolarHBondContact N-O 3.43Å; C275-S296 VanDerWaalsContact N-O 3.07Å; C275-N297 WeakPolarHBondContact CA-O 3.48Å; C275-N297 PolarHBondContact N-O 3.28Å
276N91.7Very high89Confident10 Ų1047.9 Ų47.95%0.05324%0.238CC..SBendtrans-115-173.6171.2-72.9-64.2000110V248 N250 T251 L252 L273 T274 L278 N297 N298V248-N276 PolarHBondContact O-ND2 3.26Å; N250-N276 PolarHBondContact N-OD1 3Å; N250-N276 VanDerWaalsContact N-OD1 3.14Å; T251-N276 PolarHBondContact N-OD1 2.95Å; L252-N276 HydrophobicContact CB-CB 4.16Å; L252-N276 PolarHBondContact N-OD1 3.03Å; L252-N276 WeakPolarHBondContact O-CB 3.46Å; L273-N276 VanDerWaalsContact C-ND2 3.28Å; L273-N276 PolarHBondContact O-ND2 3.27Å; T274-N276 PolarHBondContact O-N 3.41Å; T274-N276 PolarHBondContact O-ND2 3.41Å; N276-L278 HydrophobicContact CB-CD1 4.47Å; N276-L278 HydrophobicContact CB-CG 4.01Å; N276-N297 PolarHBondContact N-O 3.16Å; N276-N298 WeakPolarHBondContact CA-OD1 3.28Å; N276-N298 WeakPolarHBondContact CB-OD1 3.45Å; N276-N298 PolarHBondContact N-OD1 3.14Å; N276-N298 PolarHBondContact O-OD1 3.24Å; N276-N298 VanDerWaalsContact O-OD1 3.14Å
277C92.2Very high89.4Confident46 Ų4640.7 Ų40.731%0.31121%0.212SC..  trans-104.520.9178.8-73.10000112.7L252 E253 T279L252-C277 PolarHBondContact O-N 3.4Å; E253-C277 HydrophobicContact CG-CB 4.37Å; C277-T279 PolarHBondContact O-N 3.1Å
278L92.3Very high89.4Confident0 Ų043.3 Ų43.30%023%0.226CC..  trans-64130.5-171.7-57.1175.7000111.5L252 I255 L273 N276 L295 N298 R299 I300L252-L278 HydrophobicContact CB-CD2 3.96Å; I255-L278 HydrophobicContact CD1-CD1 4.15Å; I255-L278 HydrophobicContact CG1-CD1 4.13Å; I255-L278 HydrophobicContact CG1-CD2 3.88Å; L273-L278 HydrophobicContact CB-CD1 3.99Å; L273-L278 HydrophobicContact CD1-CD1 4.03Å; N276-L278 HydrophobicContact CB-CD1 4.47Å; N276-L278 HydrophobicContact CB-CG 4.01Å; L278-L295 HydrophobicContact CD1-CD2 4.04Å; L278-N298 HydrophobicContact CB-CB 4.27Å; L278-N298 VanDerWaalsContact CB-OD1 3.25Å; L278-N298 WeakPolarHBondContact CB-OD1 3.46Å; L278-N298 WeakPolarHBondContact CG-OD1 3.34Å; L278-N298 PolarHBondContact N-OD1 2.96Å; L278-R299 CarbonylContact O-C 3.37Å; L278-R299 VanDerWaalsContact O-C 3.23Å; L278-R299 VanDerWaalsContact O-CA 3.31Å; L278-R299 WeakPolarHBondContact O-CA 3.43Å; L278-R299 PolarHBondContact O-N 3.14Å; L278-I300 PolarHBondContact O-N 2.97Å
279T92.5Very high89.4Confident81 Ų8148.5 Ų48.550%0.49725%0.249SC..SBendtrans-101.8-23.6173.954.40000112.4C277 R299C277-T279 PolarHBondContact O-N 3.1Å; T279-R299 HydrophobicContact CG2-CB 4.08Å
280E89Confident89.3Confident109 Ų10944.2 Ų44.251%0.50923%0.229SC..  trans-147.8166.1174.666.5171.8162.400111.6K309E280-K309 IonicContact OE2-NZ 3.7Å; E280-K309 PolarHBondContact OE2-NZ 2.8Å
281I88.1Confident89.3Confident0 Ų042.3 Ų42.30%022%0.221CC..  trans-102.5153.8166.960.2169.2000110.2I255 L284 L295 W306 K309 L310I255-I281 HydrophobicContact CD1-CB 4.18Å; I255-I281 HydrophobicContact CD1-CG2 4.04Å; I281-L284 HydrophobicContact CB-CD1 4.16Å; I281-L284 HydrophobicContact CD1-CD1 4.42Å; I281-L284 HydrophobicContact CG2-CD1 4.24Å; I281-L295 HydrophobicContact CG2-CD1 3.77Å; I281-L295 HydrophobicContact CG2-CD2 3.9Å; I281-W306 HydrophobicContact CD1-CD2 3.67Å; I281-W306 HydrophobicContact CD1-CE3 4.09Å; I281-W306 HydrophobicContact CD1-CG 3.97Å; I281-W306 HydrophobicContact CD1-CH2 4.43Å; I281-W306 HydrophobicContact CD1-CZ2 4.07Å; I281-W306 HydrophobicContact CD1-CZ3 4.43Å; I281-W306 HydrophobicContact CG1-CD2 4.31Å; I281-W306 HydrophobicContact CG1-CZ2 4.09Å; I281-W306 HydrophobicContact CG2-CZ2 4.37Å; I281-K309 HydrophobicContact CD1-CB 4.13Å; I281-K309 HydrophobicContact CG1-CB 4.28Å; I281-K309 HydrophobicContact CG1-CD 4.12Å; I281-K309 VanDerWaalsContact O-CD 3.28Å; I281-K309 WeakPolarHBondContact O-CD 3.46Å; I281-K309 WeakPolarHBondContact O-CE 3.43Å; I281-K309 PolarHBondContact O-NZ 3.25Å; I281-L310 HydrophobicContact CD1-CD1 4.09Å; I281-L310 HydrophobicContact CD1-CD2 3.44Å; I281-L310 VanDerWaalsContact CD1-CD2 3.44Å; I281-L310 HydrophobicContact CD1-CG 3.62Å
282C81.4Confident89.5Confident19 Ų1944.1 Ų44.113%0.12823%0.23CC..  trans-149.5155.6170.256.90000110.5A256 L284A256-C282 VanDerWaalsContact CA-SG 3.53Å; A256-C282 PolarHBondContact N-SG 2.85Å; A256-C282 VanDerWaalsContact N-SG 3.4Å; C282-L284 PolarHBondContact O-N 3.49Å
283N76.2Confident89.6Confident57 Ų5742 Ų4231%0.30522%0.219SC..SBendtrans60.78.6169.9-58.6-21000117.2Q262 Q285 H286Q262-N283 PolarHBondContact NE2-ND2 3.43Å; N283-Q285 VanDerWaalsContact C-OE1 3.28Å; N283-Q285 PolarHBondContact O-N 3.33Å; N283-H286 PolarHBondContact O-CD2 3.41Å; N283-H286 PolarHBondContact O-N 2.97Å
284L86.2Confident89.8Confident8 Ų843.2 Ų43.24%0.04223%0.225CC..G310 helixtrans-73-12.4176.8-55.2-176.8000112.6I255 L271 I281 C282 H286 L287 L293 K309 L310I255-L284 HydrophobicContact CD1-CD1 4.46Å; I255-L284 HydrophobicContact CD1-CD2 4.48Å; I255-L284 HydrophobicContact CG2-CD2 4.39Å; L271-L284 HydrophobicContact CD2-CD2 3.81Å; I281-L284 HydrophobicContact CB-CD1 4.16Å; I281-L284 HydrophobicContact CD1-CD1 4.42Å; I281-L284 HydrophobicContact CG2-CD1 4.24Å; C282-L284 PolarHBondContact O-N 3.49Å; L284-H286 PolarHBondContact O-N 3.47Å; L284-H286 VanDerWaalsContact O-N 3.15Å; L284-L287 HydrophobicContact CD2-CD1 4.02Å; L284-L287 PolarHBondContact O-N 3.27Å; L284-L287 VanDerWaalsContact O-N 3.16Å; L284-L293 HydrophobicContact CD1-CD1 4.16Å; L284-L293 HydrophobicContact CD1-CD2 3.84Å; L284-K309 CarbonylContact C-O 3.57Å; L284-K309 VanDerWaalsContact C-O 3.3Å; L284-K309 WeakPolarHBondContact CA-O 3.31Å; L284-K309 WeakPolarHBondContact CB-O 3.45Å; L284-K309 PolarHBondContact N-O 3.34Å; L284-L310 HydrophobicContact CB-CD2 4.06Å; L284-L310 HydrophobicContact CD1-CD2 3.84Å
285Q82.6Confident89.8Confident69 Ų6942.4 Ų42.432%0.32222%0.22SC..G310 helixtrans-63-16.6173.170.8-82.84.800113N283 L287 K309N283-Q285 VanDerWaalsContact C-OE1 3.28Å; N283-Q285 PolarHBondContact O-N 3.33Å; Q285-L287 VanDerWaalsContact C-N 3.32Å; Q285-K309 PolarHBondContact N-O 2.97Å; Q285-K309 PolarHBondContact OE1-O 2.82Å
286H80.5Confident90Very high85 Ų8540.4 Ų40.439%0.39421%0.206SC..G310 helixtrans-86.31.1178.2-59.9-59.8000113.9N283 L284 P288N283-H286 PolarHBondContact O-CD2 3.41Å; N283-H286 PolarHBondContact O-N 2.97Å; L284-H286 PolarHBondContact O-N 3.47Å; L284-H286 VanDerWaalsContact O-N 3.15Å; H286-P288 WeakPolarHBondContact O-CD 3.33Å
287L85.9Confident90.3Very high11 Ų1143 Ų436%0.05822%0.22CC..  trans-100.487.1176.8-57.1177.1000109.8F265 L271 L284 Q285 F289 L290F265-L287 HydrophobicContact CB-CD2 4.1Å; F265-L287 WeakPolarHBondContact O-CD2 3.48Å; L271-L287 HydrophobicContact CD2-CD1 4.12Å; L284-L287 HydrophobicContact CD2-CD1 4.02Å; L284-L287 PolarHBondContact O-N 3.27Å; L284-L287 VanDerWaalsContact O-N 3.16Å; Q285-L287 VanDerWaalsContact C-N 3.32Å; L287-F289 PolarHBondContact O-N 3.06Å; L287-L290 HydrophobicContact CB-CB 3.79Å; L287-L290 HydrophobicContact CB-CD2 4.47Å; L287-L290 HydrophobicContact CD1-CD2 4.09Å; L287-L290 WeakPolarHBondContact O-CB 3.4Å; L287-L290 PolarHBondContact O-N 2.96Å
288P84.4Confident90.5Very high71 Ų7141.3 Ų41.346%0.46121%0.208SC..THydrogen-bonded Turntrans-66.7-24.7-167.627.9-37.2000113.7H286H286-P288 WeakPolarHBondContact O-CD 3.33Å
289F90.3Very high90.7Very high111 Ų11147.9 Ų47.949%0.48723%0.233SC..THydrogen-bonded Turntrans-100.60.9-179.3-55.9-62.2000113.7R266 I268 Q269 L287 R291R266-F289 WeakPolarHBondContact O-CD2 3.37Å; I268-F289 CarbonylContact O-C 3.52Å; Q269-F289 WeakPolarHBondContact CA-O 3.47Å; Q269-F289 HydrophobicContact CG-CB 4.15Å; L287-F289 PolarHBondContact O-N 3.06Å; F289-R291 WeakPolarHBondContact O-CG 3.38Å; F289-R291 PolarHBondContact O-N 3.25Å; F289-R291 VanDerWaalsContact O-N 3.15Å
290L92.5Very high90.8Very high0 Ų044 Ų440%021%0.209CC..  trans-62.9118.1-178.5-176.568.1000110.5I268 L271 L287 E292 N312 V313I268-L290 HydrophobicContact CG2-CD1 3.87Å; I268-L290 WeakPolarHBondContact O-CA 3.45Å; I268-L290 PolarHBondContact O-N 2.89Å; I268-L290 VanDerWaalsContact O-N 3.14Å; L271-L290 HydrophobicContact CB-CD1 3.53Å; L287-L290 HydrophobicContact CB-CB 3.79Å; L287-L290 HydrophobicContact CB-CD2 4.47Å; L287-L290 HydrophobicContact CD1-CD2 4.09Å; L287-L290 WeakPolarHBondContact O-CB 3.4Å; L287-L290 PolarHBondContact O-N 2.96Å; L290-E292 WeakPolarHBondContact CD1-O 3.38Å; L290-N312 CarbonylContact O-C 3.53Å; L290-V313 HydrophobicContact CD2-CG2 3.97Å; L290-V313 HydrophobicContact CG-CG2 4.11Å
291R95.9Very high91.1Very high81 Ų8142.2 Ų42.231%0.30620%0.201SC..  trans-113.7-33.5179.6-60.3-48.1-175171.3-0.6112.8Q269 F289 N312 V313 K314 K315Q269-R291 PolarHBondContact O-N 3.34Å; F289-R291 WeakPolarHBondContact O-CG 3.38Å; F289-R291 PolarHBondContact O-N 3.25Å; F289-R291 VanDerWaalsContact O-N 3.15Å; R291-N312 VanDerWaalsContact NH1-CG 3.27Å; R291-N312 PolarHBondContact NH1-ND2 3.02Å; R291-N312 PolarHBondContact NH1-O 2.9Å; R291-V313 WeakPolarHBondContact O-CG1 3.47Å; R291-K314 WeakPolarHBondContact O-CA 3.36Å; R291-K314 PolarHBondContact O-N 2.75Å; R291-K315 PolarHBondContact O-N 3.37Å
292E98.1Very high91.3Very high51 Ų5149 Ų4924%0.23823%0.23CC..EExtended strand (participates in β ladder)trans-123.3123.8-175.4-57.9-170.2157.900109.5Q269 R270 L271 L290 K315 W317Q269-E292 PolarHBondContact O-N 2.8Å; R270-E292 WeakPolarHBondContact CA-O 3.47Å; R270-E292 HydrophobicContact CB-CB 4.32Å; R270-E292 WeakPolarHBondContact CD-OE2 3.5Å; R270-E292 HydrophobicContact CG-CB 3.99Å; R270-E292 HydrophobicContact CG-CG 4.22Å; R270-E292 WeakPolarHBondContact CG-OE2 3.46Å; L271-E292 PolarHBondContact N-O 2.78Å; L290-E292 WeakPolarHBondContact CD1-O 3.38Å; E292-K315 HydrophobicContact CG-CB 4.22Å; E292-K315 HydrophobicContact CG-CD 4.16Å; E292-K315 HydrophobicContact CG-CG 4.28Å; E292-K315 WeakPolarHBondContact OE1-CD 3.19Å; E292-K315 WeakPolarHBondContact OE1-CE 3.39Å; E292-K315 IonicContact OE1-NZ 3.3Å; E292-K315 PolarHBondContact OE1-NZ 3.2Å; E292-W317 HydrophobicContact CB-CZ3 4.02Å
293L97Very high91.9Very high0 Ų048.1 Ų48.10%023%0.225CC..EExtended strand (participates in β ladder)trans-129.3114.5-178.8176.659.3000110.2L271 L284 L295 L310 V313 K315 I316 W317L271-L293 HydrophobicContact CB-CD1 4.14Å; L271-L293 HydrophobicContact CD2-CD1 4.05Å; L271-L293 HydrophobicContact CG-CD1 4.13Å; L271-L293 CarbonylContact O-C 3.46Å; L271-L293 WeakPolarHBondContact O-CA 3.45Å; L284-L293 HydrophobicContact CD1-CD1 4.16Å; L284-L293 HydrophobicContact CD1-CD2 3.84Å; L293-L295 HydrophobicContact CD1-CD1 4.39Å; L293-L295 HydrophobicContact CD1-CD2 4.33Å; L293-L295 HydrophobicContact CD1-CG 4.06Å; L293-L295 HydrophobicContact CD2-CD1 3.79Å; L293-L295 HydrophobicContact CD2-CG 4.35Å; L293-L295 HydrophobicContact CG-CD1 3.92Å; L293-L295 HydrophobicContact CG-CG 3.96Å; L293-L310 HydrophobicContact CD2-CD2 3.49Å; L293-L310 VanDerWaalsContact CD2-CD2 3.49Å; L293-V313 HydrophobicContact CB-CG1 4.02Å; L293-K315 PolarHBondContact N-O 3.19Å; L293-I316 VanDerWaalsContact O-CA 3.31Å; L293-I316 WeakPolarHBondContact O-CA 3.42Å; L293-W317 PolarHBondContact O-N 2.96Å
294N97.9Very high92.3Very high31 Ų3149.3 Ų49.317%0.16623%0.231CC..EExtended strand (participates in β ladder)trans-104.7121.6174.3-169.7-5.1000110.4L271 D272 L273 T274 S296 W317L271-N294 PolarHBondContact O-N 3.26Å; D272-N294 HydrophobicContact CB-CB 4.27Å; L273-N294 WeakPolarHBondContact CA-O 3.35Å; L273-N294 PolarHBondContact N-O 3.41Å; T274-N294 PolarHBondContact OG1-ND2 3.29Å; T274-N294 PolarHBondContact OG1-OD1 2.91Å; T274-N294 VanDerWaalsContact OG1-OD1 3.07Å; N294-S296 VanDerWaalsContact OD1-CB 3.27Å; N294-S296 WeakPolarHBondContact OD1-CB 3.28Å; N294-S296 PolarHBondContact OD1-N 2.86Å; N294-S296 PolarHBondContact OD1-OG 3.14Å; N294-W317 HydrophobicContact CB-CB 4.25Å; N294-W317 HydrophobicContact CB-CE3 4.2Å; N294-W317 VanDerWaalsContact OD1-CB 3.31Å; N294-W317 WeakPolarHBondContact OD1-CB 3.32Å
295L97.1Very high92.2Very high0 Ų053.1 Ų53.10%025%0.251CS..  trans-12520.2-179.8-69.7164.4000110.9L273 L278 I281 L293 N298 I300 W306 W317 L318 N321L273-L295 HydrophobicContact CB-CD2 4.1Å; L273-L295 HydrophobicContact CD1-CD2 4.04Å; L278-L295 HydrophobicContact CD1-CD2 4.04Å; I281-L295 HydrophobicContact CG2-CD1 3.77Å; I281-L295 HydrophobicContact CG2-CD2 3.9Å; L293-L295 HydrophobicContact CD1-CD1 4.39Å; L293-L295 HydrophobicContact CD1-CD2 4.33Å; L293-L295 HydrophobicContact CD1-CG 4.06Å; L293-L295 HydrophobicContact CD2-CD1 3.79Å; L293-L295 HydrophobicContact CD2-CG 4.35Å; L293-L295 HydrophobicContact CG-CD1 3.92Å; L293-L295 HydrophobicContact CG-CG 3.96Å; L295-N298 WeakPolarHBondContact O-CB 3.09Å; L295-N298 PolarHBondContact O-ND2 2.84Å; L295-I300 HydrophobicContact CB-CD1 3.96Å; L295-I300 HydrophobicContact CD1-CD1 4.01Å; L295-I300 HydrophobicContact CD2-CD1 4.21Å; L295-I300 HydrophobicContact CG-CD1 4.3Å; L295-W306 HydrophobicContact CD1-CH2 3.64Å; L295-W306 HydrophobicContact CD1-CZ3 4.07Å; L295-W317 WeakPolarHBondContact CA-O 3.2Å; L295-W317 PolarHBondContact N-O 3.49Å; L295-L318 HydrophobicContact CB-CD2 3.67Å; L295-L318 HydrophobicContact CD1-CD2 4.08Å; L295-N321 PolarHBondContact O-ND2 3.08Å
296S98.2Very high92.6Very high8 Ų849.9 Ų49.96%0.05624%0.236CC..  trans-63.1154.4-176.7-55.90000112.1T274 C275 N294 N298 T319T274-S296 VanDerWaalsContact CA-O 3.23Å; T274-S296 WeakPolarHBondContact CA-O 3.49Å; T274-S296 WeakPolarHBondContact CG2-O 3.34Å; C275-S296 PolarHBondContact N-O 3.43Å; C275-S296 VanDerWaalsContact N-O 3.07Å; N294-S296 VanDerWaalsContact OD1-CB 3.27Å; N294-S296 WeakPolarHBondContact OD1-CB 3.28Å; N294-S296 PolarHBondContact OD1-N 2.86Å; N294-S296 PolarHBondContact OD1-OG 3.14Å; S296-N298 VanDerWaalsContact C-N 3.35Å; S296-N298 PolarHBondContact O-N 3.4Å; S296-N298 PolarHBondContact O-ND2 3.49Å; S296-N298 VanDerWaalsContact O-ND2 3.15Å; S296-T319 CarbonylContact C-O 3.56Å; S296-T319 WeakPolarHBondContact CA-O 3.14Å; S296-T319 WeakPolarHBondContact CB-O 3.44Å; S296-T319 PolarHBondContact OG-N 3.15Å
297N97.9Very high92.8Very high64 Ų6447.9 Ų47.934%0.34223%0.227SC..SBendtrans54.548.4178.8-55.4-69.7000112.8T274 C275 N276 T319 N320T274-N297 HydrophobicContact CG2-CB 4.37Å; C275-N297 WeakPolarHBondContact CA-O 3.48Å; C275-N297 PolarHBondContact N-O 3.28Å; N276-N297 PolarHBondContact N-O 3.16Å; N297-T319 PolarHBondContact N-O 3.35Å; N297-N320 WeakPolarHBondContact CA-O 3.18Å; N297-N320 PolarHBondContact N-O 3.19Å; N297-N320 WeakPolarHBondContact OD1-CB 3.44Å; N297-N320 PolarHBondContact OD1-ND2 3.43Å
298N96.5Very high92.8Very high11 Ų1150.2 Ų50.26%0.05924%0.243CC..SBendtrans-118.1-166.4173.5-83.7-78.4000109.9L273 N276 L278 L295 S296 I300 N321L273-N298 PolarHBondContact O-ND2 2.67Å; N276-N298 WeakPolarHBondContact CA-OD1 3.28Å; N276-N298 WeakPolarHBondContact CB-OD1 3.45Å; N276-N298 PolarHBondContact N-OD1 3.14Å; N276-N298 PolarHBondContact O-OD1 3.24Å; N276-N298 VanDerWaalsContact O-OD1 3.14Å; L278-N298 HydrophobicContact CB-CB 4.27Å; L278-N298 VanDerWaalsContact CB-OD1 3.25Å; L278-N298 WeakPolarHBondContact CB-OD1 3.46Å; L278-N298 WeakPolarHBondContact CG-OD1 3.34Å; L278-N298 PolarHBondContact N-OD1 2.96Å; L295-N298 WeakPolarHBondContact O-CB 3.09Å; L295-N298 PolarHBondContact O-ND2 2.84Å; S296-N298 VanDerWaalsContact C-N 3.35Å; S296-N298 PolarHBondContact O-N 3.4Å; S296-N298 PolarHBondContact O-ND2 3.49Å; S296-N298 VanDerWaalsContact O-ND2 3.15Å; N298-I300 HydrophobicContact CB-CD1 4.44Å; N298-I300 HydrophobicContact CB-CG1 4.21Å; N298-N321 WeakPolarHBondContact CA-OD1 3.38Å; N298-N321 VanDerWaalsContact CB-OD1 3.23Å; N298-N321 WeakPolarHBondContact CB-OD1 3.22Å; N298-N321 PolarHBondContact O-OD1 2.88Å
299R96.1Very high92.9Very high138 Ų13849.1 Ų49.152%0.52123%0.231SC..  trans-116.227.6-179.5-59.1178.8-177.3-179.32.9111.7L278 T279 E301 N321L278-R299 CarbonylContact O-C 3.37Å; L278-R299 VanDerWaalsContact O-C 3.23Å; L278-R299 VanDerWaalsContact O-CA 3.31Å; L278-R299 WeakPolarHBondContact O-CA 3.43Å; L278-R299 PolarHBondContact O-N 3.14Å; T279-R299 HydrophobicContact CG2-CB 4.08Å; R299-E301 PolarHBondContact O-N 3.37Å; R299-N321 PolarHBondContact N-OD1 2.86Å
300I96.1Very high92.7Very high0 Ų044.3 Ų44.30%021%0.21CC..  trans-70.9119.7-176.7-59.5174.4000109.4L278 L295 N298 V303 W306 L318 N321 K322 V323L278-I300 PolarHBondContact O-N 2.97Å; L295-I300 HydrophobicContact CB-CD1 3.96Å; L295-I300 HydrophobicContact CD1-CD1 4.01Å; L295-I300 HydrophobicContact CD2-CD1 4.21Å; L295-I300 HydrophobicContact CG-CD1 4.3Å; N298-I300 HydrophobicContact CB-CD1 4.44Å; N298-I300 HydrophobicContact CB-CG1 4.21Å; I300-V303 HydrophobicContact CG2-CG1 4.08Å; I300-W306 HydrophobicContact CD1-CH2 4.21Å; I300-W306 HydrophobicContact CD1-CZ2 4.22Å; I300-W306 HydrophobicContact CG2-CH2 4.38Å; I300-W306 HydrophobicContact CG2-CZ2 3.83Å; I300-L318 HydrophobicContact CD1-CD2 3.89Å; I300-N321 HydrophobicContact CB-CB 4.49Å; I300-N321 WeakPolarHBondContact CB-OD1 3.43Å; I300-N321 PolarHBondContact N-OD1 3.03Å; I300-K322 CarbonylContact O-C 3.59Å; I300-K322 VanDerWaalsContact O-C 3.28Å; I300-K322 WeakPolarHBondContact O-CA 3.36Å; I300-K322 PolarHBondContact O-N 3.35Å; I300-V323 HydrophobicContact CG2-CG2 4.18Å; I300-V323 PolarHBondContact O-N 2.95Å
301E95.2Very high92.1Very high72 Ų7245.6 Ų45.634%0.33622%0.224SC..  trans-105.4-39.3177.4-173.5-176.7159.600112.5R299 K322 V323 R324R299-E301 PolarHBondContact O-N 3.37Å; E301-K322 WeakPolarHBondContact CA-O 3.31Å; E301-K322 HydrophobicContact CB-CB 4.24Å; E301-K322 HydrophobicContact CG-CB 4.45Å; E301-V323 WeakPolarHBondContact O-CA 3.06Å; E301-R324 PolarHBondContact O-N 2.71Å; E301-R324 IonicContact OE1-CZ 3.02Å; E301-R324 VanDerWaalsContact OE1-CZ 3.26Å; E301-R324 IonicContact OE1-NE 3.44Å; E301-R324 IonicContact OE1-NH1 3.8Å; E301-R324 PolarHBondContact OE1-NH1 3.42Å
302K91.9Very high91.6Very high142 Ų14245.1 Ų45.162%0.61723%0.227SC*.  trans-118.5133.2-175-64.1-177.2-176.1173.90110.4
303V93Very high91.4Very high1 Ų143 Ų431%0.00622%0.218CC..  trans-112.920179.5-56.80000112.6I300 W306 V323 S325 G328 F329I300-V303 HydrophobicContact CG2-CG1 4.08Å; V303-W306 VanDerWaalsContact CA-NE1 3.33Å; V303-W306 HydrophobicContact CB-CD2 3.83Å; V303-W306 HydrophobicContact CB-CE3 4.36Å; V303-W306 HydrophobicContact CB-CG 4.12Å; V303-W306 HydrophobicContact CB-CZ2 4.12Å; V303-W306 HydrophobicContact CG1-CD2 4.22Å; V303-W306 HydrophobicContact CG1-CE3 4.5Å; V303-W306 HydrophobicContact CG1-CH2 3.97Å; V303-W306 HydrophobicContact CG1-CZ2 3.63Å; V303-W306 HydrophobicContact CG1-CZ3 4.4Å; V303-W306 PolarHBondContact O-N 3.44Å; V303-V323 HydrophobicContact CG1-CG1 3.96Å; V303-V323 HydrophobicContact CG1-CG2 3.86Å; V303-V323 HydrophobicContact CG2-CG1 4.3Å; V303-S325 WeakPolarHBondContact CG2-O 3.47Å; V303-G328 VanDerWaalsContact O-CA 3.31Å; V303-G328 WeakPolarHBondContact O-CA 3.38Å; V303-F329 HydrophobicContact CB-CD2 4.24Å; V303-F329 HydrophobicContact CB-CE2 3.77Å; V303-F329 HydrophobicContact CG1-CE2 4Å; V303-F329 HydrophobicContact CG2-CD2 3.76Å; V303-F329 HydrophobicContact CG2-CE2 3.69Å
304D85.8Confident91.5Very high81 Ų8146.2 Ų46.243%0.43323%0.232SC..THydrogen-bonded Turntrans-61.9141.5-177.1-63.5-46.7000111.6W306D304-W306 PolarHBondContact O-N 2.84Å; D304-W306 VanDerWaalsContact O-N 3.14Å
305N84.5Confident91.5Very high88 Ų8848.2 Ų48.247%0.47124%0.239SC..THydrogen-bonded Turntrans57.423.5178.4-54.4-31.4000115.4H307 C308 K309N305-H307 PolarHBondContact O-N 3.09Å; N305-C308 WeakPolarHBondContact O-CB 3.46Å; N305-C308 PolarHBondContact O-N 2.95Å; N305-K309 PolarHBondContact O-N 3.05Å
306W90.3Very high91.6Very high2 Ų248.2 Ų48.21%0.00824%0.239CC..Hα-helixtrans-59.6-29.9177.4-84.728.1000113.5I281 L295 I300 V303 D304 C308 K309 L310 I316 L318 F329I281-W306 HydrophobicContact CD1-CD2 3.67Å; I281-W306 HydrophobicContact CD1-CE3 4.09Å; I281-W306 HydrophobicContact CD1-CG 3.97Å; I281-W306 HydrophobicContact CD1-CH2 4.43Å; I281-W306 HydrophobicContact CD1-CZ2 4.07Å; I281-W306 HydrophobicContact CD1-CZ3 4.43Å; I281-W306 HydrophobicContact CG1-CD2 4.31Å; I281-W306 HydrophobicContact CG1-CZ2 4.09Å; I281-W306 HydrophobicContact CG2-CZ2 4.37Å; L295-W306 HydrophobicContact CD1-CH2 3.64Å; L295-W306 HydrophobicContact CD1-CZ3 4.07Å; I300-W306 HydrophobicContact CD1-CH2 4.21Å; I300-W306 HydrophobicContact CD1-CZ2 4.22Å; I300-W306 HydrophobicContact CG2-CH2 4.38Å; I300-W306 HydrophobicContact CG2-CZ2 3.83Å; V303-W306 VanDerWaalsContact CA-NE1 3.33Å; V303-W306 HydrophobicContact CB-CD2 3.83Å; V303-W306 HydrophobicContact CB-CE3 4.36Å; V303-W306 HydrophobicContact CB-CG 4.12Å; V303-W306 HydrophobicContact CB-CZ2 4.12Å; V303-W306 HydrophobicContact CG1-CD2 4.22Å; V303-W306 HydrophobicContact CG1-CE3 4.5Å; V303-W306 HydrophobicContact CG1-CH2 3.97Å; V303-W306 HydrophobicContact CG1-CZ2 3.63Å; V303-W306 HydrophobicContact CG1-CZ3 4.4Å; V303-W306 PolarHBondContact O-N 3.44Å; D304-W306 PolarHBondContact O-N 2.84Å; D304-W306 VanDerWaalsContact O-N 3.14Å; W306-C308 PolarHBondContact O-N 2.75Å; W306-K309 CarbonylContact O-C 3.47Å; W306-K309 PolarHBondContact O-N 3.29Å; W306-L310 HydrophobicContact CB-CD1 4.13Å; W306-L310 HydrophobicContact CD2-CD1 4.25Å; W306-L310 HydrophobicContact CE3-CD1 3.65Å; W306-L310 HydrophobicContact CG-CD1 4.5Å; W306-L310 HydrophobicContact CZ3-CD1 4.37Å; W306-L310 VanDerWaalsContact O-CB 3.31Å; W306-L310 WeakPolarHBondContact O-CB 3.41Å; W306-L310 WeakPolarHBondContact O-CG 3.3Å; W306-L310 PolarHBondContact O-N 3Å; W306-I316 HydrophobicContact CZ3-CG2 4.47Å; W306-L318 HydrophobicContact CH2-CD1 3.89Å; W306-L318 HydrophobicContact CH2-CD2 3.75Å; W306-L318 HydrophobicContact CH2-CG 4.34Å; W306-L318 HydrophobicContact CZ3-CD1 3.8Å; W306-L318 HydrophobicContact CZ3-CD2 4.36Å; W306-L318 HydrophobicContact CZ3-CG 4.49Å; W306-F329 AromaticContact CE3-CE2 3.91Å; W306-F329 HydrophobicContact CE3-CE2 3.91Å; W306-F329 AromaticContact CE3-CZ 3.75Å; W306-F329 HydrophobicContact CE3-CZ 3.75Å; W306-F329 HydrophobicContact CZ3-CE2 4.18Å; W306-F329 AromaticContact CZ3-CZ 3.78Å; W306-F329 HydrophobicContact CZ3-CZ 3.78Å
307H84.7Confident91.6Very high43 Ų4350.9 Ų50.920%0.19925%0.248CC..Hα-helixtrans-60.9-20.717164.5-82.5000114.6N305 R331 L332N305-H307 PolarHBondContact O-N 3.09Å; H307-R331 HydrophobicContact CB-CB 3.7Å; H307-R331 PolarHBondContact NE2-NH1 3.33Å; H307-L332 HydrophobicContact CB-CD2 4.13Å
308C85.3Confident91.6Very high60 Ų6047.9 Ų47.941%0.40523%0.232SC..Hα-helixtrans-91-16.9172.5-55.80000112.6N305 W306N305-C308 WeakPolarHBondContact O-CB 3.46Å; N305-C308 PolarHBondContact O-N 2.95Å; W306-C308 PolarHBondContact O-N 2.75Å
309K86.9Confident91.6Very high48 Ų4848.3 Ų48.321%0.20924%0.235CC..Hα-helixtrans-105.3-17.4-174.8-63.7-179164.4-161.30113E280 I281 L284 Q285 N305 W306E280-K309 IonicContact OE2-NZ 3.7Å; E280-K309 PolarHBondContact OE2-NZ 2.8Å; I281-K309 HydrophobicContact CD1-CB 4.13Å; I281-K309 HydrophobicContact CG1-CB 4.28Å; I281-K309 HydrophobicContact CG1-CD 4.12Å; I281-K309 VanDerWaalsContact O-CD 3.28Å; I281-K309 WeakPolarHBondContact O-CD 3.46Å; I281-K309 WeakPolarHBondContact O-CE 3.43Å; I281-K309 PolarHBondContact O-NZ 3.25Å; L284-K309 CarbonylContact C-O 3.57Å; L284-K309 VanDerWaalsContact C-O 3.3Å; L284-K309 WeakPolarHBondContact CA-O 3.31Å; L284-K309 WeakPolarHBondContact CB-O 3.45Å; L284-K309 PolarHBondContact N-O 3.34Å; Q285-K309 PolarHBondContact N-O 2.97Å; Q285-K309 PolarHBondContact OE1-O 2.82Å; N305-K309 PolarHBondContact O-N 3.05Å; W306-K309 CarbonylContact O-C 3.47Å; W306-K309 PolarHBondContact O-N 3.29Å
310L86.5Confident91.7Very high9 Ų945.9 Ų45.95%0.04723%0.232CC..  trans-113.5140.6-179.9-64.9177.5000109.3I281 L284 L293 W306 V313 I316 L332I281-L310 HydrophobicContact CD1-CD1 4.09Å; I281-L310 HydrophobicContact CD1-CD2 3.44Å; I281-L310 VanDerWaalsContact CD1-CD2 3.44Å; I281-L310 HydrophobicContact CD1-CG 3.62Å; L284-L310 HydrophobicContact CB-CD2 4.06Å; L284-L310 HydrophobicContact CD1-CD2 3.84Å; L293-L310 HydrophobicContact CD2-CD2 3.49Å; L293-L310 VanDerWaalsContact CD2-CD2 3.49Å; W306-L310 HydrophobicContact CB-CD1 4.13Å; W306-L310 HydrophobicContact CD2-CD1 4.25Å; W306-L310 HydrophobicContact CE3-CD1 3.65Å; W306-L310 HydrophobicContact CG-CD1 4.5Å; W306-L310 HydrophobicContact CZ3-CD1 4.37Å; W306-L310 VanDerWaalsContact O-CB 3.31Å; W306-L310 WeakPolarHBondContact O-CB 3.41Å; W306-L310 WeakPolarHBondContact O-CG 3.3Å; W306-L310 PolarHBondContact O-N 3Å; L310-V313 HydrophobicContact CB-CG2 4.3Å; L310-V313 HydrophobicContact CD2-CG2 4.39Å; L310-I316 HydrophobicContact CD1-CD1 3.85Å; L310-L332 HydrophobicContact CB-CD2 4.35Å; L310-L332 HydrophobicContact CD1-CD1 4.2Å; L310-L332 HydrophobicContact CD1-CD2 4.34Å
311G79.2Confident91.8Very high28 Ų2846.3 Ų46.329%0.28924%0.235SC..  trans-77.6-145.7167.300000112V313G311-V313 PolarHBondContact O-N 2.82Å
312N85.7Confident91.9Very high70 Ų7047.5 Ų47.537%0.37424%0.239SC..SBendtrans-84.854.6-174.1-162.51.1000113.1L290 R291 S334L290-N312 CarbonylContact O-C 3.53Å; R291-N312 VanDerWaalsContact NH1-CG 3.27Å; R291-N312 PolarHBondContact NH1-ND2 3.02Å; R291-N312 PolarHBondContact NH1-O 2.9Å; N312-S334 WeakPolarHBondContact OD1-CB 3.46Å; N312-S334 PolarHBondContact OD1-OG 3.33Å
313V94.6Very high92.1Very high7 Ų740.7 Ų40.74%0.04221%0.209CC..  trans-73.5134.6-176.6-175.60000110.5L290 R291 L293 L310 G311 K315 I316L290-V313 HydrophobicContact CD2-CG2 3.97Å; L290-V313 HydrophobicContact CG-CG2 4.11Å; R291-V313 WeakPolarHBondContact O-CG1 3.47Å; L293-V313 HydrophobicContact CB-CG1 4.02Å; L310-V313 HydrophobicContact CB-CG2 4.3Å; L310-V313 HydrophobicContact CD2-CG2 4.39Å; G311-V313 PolarHBondContact O-N 2.82Å; V313-K315 WeakPolarHBondContact CG1-O 3.4Å; V313-I316 HydrophobicContact CG1-CD1 4.18Å; V313-I316 HydrophobicContact CG1-CG1 3.67Å
314K97.5Very high92.1Very high68 Ų6846.7 Ų46.730%0.29623%0.232SC..  trans-103.2-33.9-177.6-68-177.3166.5-134.70113.4R291 E336 F337R291-K314 WeakPolarHBondContact O-CA 3.36Å; R291-K314 PolarHBondContact O-N 2.75Å; K314-E336 HydrophobicContact CB-CG 4.48Å; K314-E336 WeakPolarHBondContact CD-OE1 3.49Å; K314-E336 WeakPolarHBondContact CE-OE1 3.41Å; K314-E336 IonicContact NZ-OE1 3.01Å; K314-E336 PolarHBondContact NZ-OE1 3.05Å; K314-E336 WeakPolarHBondContact O-CA 3.43Å; K314-E336 PolarHBondContact O-N 3.12Å; K314-F337 PolarHBondContact O-N 2.89Å
315K98.6Very high92.3Very high72 Ų7244.8 Ų44.831%0.31323%0.225SC..EExtended strand (participates in β ladder)trans-129.2127.6-177.9-50.8-168.6-174.4154.30110.3R291 E292 L293 V313 W317 F337R291-K315 PolarHBondContact O-N 3.37Å; E292-K315 HydrophobicContact CG-CB 4.22Å; E292-K315 HydrophobicContact CG-CD 4.16Å; E292-K315 HydrophobicContact CG-CG 4.28Å; E292-K315 WeakPolarHBondContact OE1-CD 3.19Å; E292-K315 WeakPolarHBondContact OE1-CE 3.39Å; E292-K315 IonicContact OE1-NZ 3.3Å; E292-K315 PolarHBondContact OE1-NZ 3.2Å; L293-K315 PolarHBondContact N-O 3.19Å; V313-K315 WeakPolarHBondContact CG1-O 3.4Å; K315-W317 HydrophobicContact CB-CE3 4.41Å; K315-W317 HydrophobicContact CB-CH2 3.67Å; K315-W317 HydrophobicContact CB-CZ3 3.59Å; K315-W317 HydrophobicContact CD-CH2 3.76Å; K315-W317 HydrophobicContact CD-CZ2 4.41Å; K315-W317 HydrophobicContact CD-CZ3 4.49Å; K315-W317 HydrophobicContact CG-CH2 4.4Å; K315-F337 WeakPolarHBondContact CA-O 3.46Å; K315-F337 HydrophobicContact CB-CB 4.08Å; K315-F337 HydrophobicContact CB-CD1 4.07Å; K315-F337 HydrophobicContact CB-CG 4.46Å; K315-F337 HydrophobicContact CD-CB 4.33Å; K315-F337 HydrophobicContact CG-CB 3.89Å
316I98.4Very high92.7Very high1 Ų140.7 Ų40.71%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-126.2127.9177.8-64.9176.4000109.4L293 W306 L310 V313 L318 F329 L332 L335 F337 L338 D339L293-I316 VanDerWaalsContact O-CA 3.31Å; L293-I316 WeakPolarHBondContact O-CA 3.42Å; W306-I316 HydrophobicContact CZ3-CG2 4.47Å; L310-I316 HydrophobicContact CD1-CD1 3.85Å; V313-I316 HydrophobicContact CG1-CD1 4.18Å; V313-I316 HydrophobicContact CG1-CG1 3.67Å; I316-L318 HydrophobicContact CG2-CD1 3.85Å; I316-L318 HydrophobicContact CG2-CG 3.85Å; I316-F329 HydrophobicContact CD1-CE1 3.96Å; I316-F329 HydrophobicContact CD1-CZ 4.47Å; I316-F329 HydrophobicContact CG2-CE1 4.49Å; I316-F329 HydrophobicContact CG2-CZ 4.47Å; I316-L332 HydrophobicContact CD1-CD1 4.07Å; I316-L335 HydrophobicContact CB-CD1 4.13Å; I316-L335 HydrophobicContact CD1-CD1 3.68Å; I316-L335 HydrophobicContact CG1-CD1 3.69Å; I316-F337 PolarHBondContact N-O 2.78Å; I316-L338 HydrophobicContact CB-CD1 4.09Å; I316-L338 HydrophobicContact CG2-CD1 4.04Å; I316-L338 WeakPolarHBondContact O-CA 3.37Å; I316-D339 PolarHBondContact O-N 3.32Å
317W98.5Very high92.6Very high64 Ų6446.2 Ų46.224%0.24223%0.227CC..EExtended strand (participates in β ladder)trans-109.1129.4167.6-64.7-100.9000110.2E292 L293 N294 L295 K315 F337 D339E292-W317 HydrophobicContact CB-CZ3 4.02Å; L293-W317 PolarHBondContact O-N 2.96Å; N294-W317 HydrophobicContact CB-CB 4.25Å; N294-W317 HydrophobicContact CB-CE3 4.2Å; N294-W317 VanDerWaalsContact OD1-CB 3.31Å; N294-W317 WeakPolarHBondContact OD1-CB 3.32Å; L295-W317 WeakPolarHBondContact CA-O 3.2Å; L295-W317 PolarHBondContact N-O 3.49Å; K315-W317 HydrophobicContact CB-CE3 4.41Å; K315-W317 HydrophobicContact CB-CH2 3.67Å; K315-W317 HydrophobicContact CB-CZ3 3.59Å; K315-W317 HydrophobicContact CD-CH2 3.76Å; K315-W317 HydrophobicContact CD-CZ2 4.41Å; K315-W317 HydrophobicContact CD-CZ3 4.49Å; K315-W317 HydrophobicContact CG-CH2 4.4Å; W317-F337 AromaticContact CD1-CE1 3.73Å; W317-F337 HydrophobicContact CD2-CD1 4.48Å; W317-F337 AromaticContact CD2-CE1 3.91Å; W317-F337 HydrophobicContact CD2-CE1 3.91Å; W317-F337 AromaticContact CE2-CE1 3.41Å; W317-F337 VanDerWaalsContact CE2-CE1 3.41Å; W317-F337 HydrophobicContact CG-CE1 4.09Å; W317-F337 HydrophobicContact CZ2-CD1 4.2Å; W317-F337 AromaticContact CZ2-CE1 3.86Å; W317-F337 HydrophobicContact CZ2-CE1 3.86Å; W317-F337 HydrophobicContact CZ2-CZ 4.43Å; W317-F337 AromaticContact NE1-CE1 3.28Å; W317-F337 VanDerWaalsContact NE1-CE1 3.28Å; W317-F337 AromaticContact NE1-CZ 3.57Å; W317-D339 HydrophobicContact CB-CB 4.42Å; W317-D339 HydrophobicContact CG-CB 4.2Å
318L97.7Very high92.6Very high0 Ų044.4 Ų44.40%022%0.22CC..  trans-134.721.7-178.6-81.2168.2000112.2L295 I300 W306 I316 N320 N321 F329 L338 D339 I340 N343L295-L318 HydrophobicContact CB-CD2 3.67Å; L295-L318 HydrophobicContact CD1-CD2 4.08Å; I300-L318 HydrophobicContact CD1-CD2 3.89Å; W306-L318 HydrophobicContact CH2-CD1 3.89Å; W306-L318 HydrophobicContact CH2-CD2 3.75Å; W306-L318 HydrophobicContact CH2-CG 4.34Å; W306-L318 HydrophobicContact CZ3-CD1 3.8Å; W306-L318 HydrophobicContact CZ3-CD2 4.36Å; W306-L318 HydrophobicContact CZ3-CG 4.49Å; I316-L318 HydrophobicContact CG2-CD1 3.85Å; I316-L318 HydrophobicContact CG2-CG 3.85Å; L318-N320 PolarHBondContact O-N 3.3Å; L318-N321 PolarHBondContact O-ND2 3.18Å; L318-N321 VanDerWaalsContact O-ND2 3.09Å; L318-F329 HydrophobicContact CD1-CE2 4.22Å; L318-F329 HydrophobicContact CD1-CZ 3.62Å; L318-L338 HydrophobicContact CD1-CD1 4.44Å; L318-D339 WeakPolarHBondContact CA-O 3.32Å; L318-D339 WeakPolarHBondContact CB-O 3.38Å; L318-D339 PolarHBondContact N-O 2.93Å; L318-I340 HydrophobicContact CB-CD1 3.5Å; L318-I340 VanDerWaalsContact CB-CD1 3.5Å; L318-I340 HydrophobicContact CD1-CD1 3.74Å; L318-I340 HydrophobicContact CG-CD1 4.27Å; L318-N343 PolarHBondContact O-ND2 3.11Å
319T98.1Very high92.9Very high21 Ų2141.6 Ų41.613%0.12920%0.201CC..  trans-53.2140.8-179.6-49.40000111.4S296 N297 N321 D339 R341S296-T319 CarbonylContact C-O 3.56Å; S296-T319 WeakPolarHBondContact CA-O 3.14Å; S296-T319 WeakPolarHBondContact CB-O 3.44Å; S296-T319 PolarHBondContact OG-N 3.15Å; N297-T319 PolarHBondContact N-O 3.35Å; T319-N321 PolarHBondContact O-ND2 3.36Å; T319-D339 PolarHBondContact OG1-OD1 2.86Å; T319-D339 PolarHBondContact OG1-OD2 3.14Å; T319-R341 CarbonylContact C-O 3.47Å; T319-R341 VanDerWaalsContact CA-O 3.27Å; T319-R341 WeakPolarHBondContact CA-O 3.38Å; T319-R341 HydrophobicContact CG2-CB 3.86Å
320N97.9Very high92.7Very high86 Ų8640.5 Ų40.546%0.4620%0.2SC..SBendtrans54.360176.5-168.929.5000113N297 L318 R341 D342N297-N320 WeakPolarHBondContact CA-O 3.18Å; N297-N320 PolarHBondContact N-O 3.19Å; N297-N320 WeakPolarHBondContact OD1-CB 3.44Å; N297-N320 PolarHBondContact OD1-ND2 3.43Å; L318-N320 PolarHBondContact O-N 3.3Å; N320-R341 PolarHBondContact N-O 2.81Å; N320-D342 VanDerWaalsContact CA-O 3.27Å; N320-D342 WeakPolarHBondContact CA-O 3.31Å; N320-D342 HydrophobicContact CB-CB 4.38Å; N320-D342 PolarHBondContact N-O 3.23Å
321N97.8Very high92.7Very high9 Ų943.3 Ų43.35%0.04821%0.209CC..SBendtrans-123.7-164.9172-87.6-84.8000109.2L295 N298 R299 I300 L318 T319 V323 D342 N343L295-N321 PolarHBondContact O-ND2 3.08Å; N298-N321 WeakPolarHBondContact CA-OD1 3.38Å; N298-N321 VanDerWaalsContact CB-OD1 3.23Å; N298-N321 WeakPolarHBondContact CB-OD1 3.22Å; N298-N321 PolarHBondContact O-OD1 2.88Å; R299-N321 PolarHBondContact N-OD1 2.86Å; I300-N321 HydrophobicContact CB-CB 4.49Å; I300-N321 WeakPolarHBondContact CB-OD1 3.43Å; I300-N321 PolarHBondContact N-OD1 3.03Å; L318-N321 PolarHBondContact O-ND2 3.18Å; L318-N321 VanDerWaalsContact O-ND2 3.09Å; T319-N321 PolarHBondContact O-ND2 3.36Å; N321-V323 HydrophobicContact CB-CG2 4.3Å; N321-D342 PolarHBondContact N-O 3.38Å; N321-N343 WeakPolarHBondContact CA-OD1 3.23Å; N321-N343 WeakPolarHBondContact CB-OD1 3.42Å; N321-N343 PolarHBondContact O-OD1 3.34Å
322K96.8Very high93.2Very high97 Ų9742.7 Ų42.742%0.42220%0.199SC..  trans-117.724.5-179.2-59.4-178.2-178.4178.60112I300 E301 R324 N343I300-K322 CarbonylContact O-C 3.59Å; I300-K322 VanDerWaalsContact O-C 3.28Å; I300-K322 WeakPolarHBondContact O-CA 3.36Å; I300-K322 PolarHBondContact O-N 3.35Å; E301-K322 WeakPolarHBondContact CA-O 3.31Å; E301-K322 HydrophobicContact CB-CB 4.24Å; E301-K322 HydrophobicContact CG-CB 4.45Å; K322-R324 PolarHBondContact O-N 2.89Å; K322-N343 PolarHBondContact N-OD1 3.21Å
323V96.7Very high93.5Very high0 Ų045.4 Ų45.40%021%0.205CC..  trans-66124.2-173.1-179.10000110.5I300 E301 V303 N321 L326 I340 N343 Q344I300-V323 HydrophobicContact CG2-CG2 4.18Å; I300-V323 PolarHBondContact O-N 2.95Å; E301-V323 WeakPolarHBondContact O-CA 3.06Å; V303-V323 HydrophobicContact CG1-CG1 3.96Å; V303-V323 HydrophobicContact CG1-CG2 3.86Å; V303-V323 HydrophobicContact CG2-CG1 4.3Å; N321-V323 HydrophobicContact CB-CG2 4.3Å; V323-L326 HydrophobicContact CG1-CD2 4.02Å; V323-I340 HydrophobicContact CB-CD1 4.13Å; V323-I340 HydrophobicContact CG1-CD1 4.34Å; V323-I340 HydrophobicContact CG2-CD1 4.18Å; V323-N343 HydrophobicContact CB-CB 4.39Å; V323-N343 VanDerWaalsContact CB-OD1 3.27Å; V323-N343 WeakPolarHBondContact CB-OD1 3.37Å; V323-N343 WeakPolarHBondContact CG2-OD1 3.39Å; V323-N343 PolarHBondContact N-OD1 2.96Å; V323-Q344 CarbonylContact O-C 2.87Å; V323-Q344 WeakPolarHBondContact O-CA 3.42Å; V323-Q344 PolarHBondContact O-N 3.15Å
324R92.9Very high93.4Very high126 Ų12647.1 Ų47.148%0.47522%0.218SC..  trans-102.9-16.5-178.3-67.3173.6177.3175.5-9114.1E301 K322 Q344 H350E301-R324 PolarHBondContact O-N 2.71Å; E301-R324 IonicContact OE1-CZ 3.02Å; E301-R324 VanDerWaalsContact OE1-CZ 3.26Å; E301-R324 IonicContact OE1-NE 3.44Å; E301-R324 IonicContact OE1-NH1 3.8Å; E301-R324 PolarHBondContact OE1-NH1 3.42Å; K322-R324 PolarHBondContact O-N 2.89Å; R324-Q344 HydrophobicContact CG-CB 3.81Å; R324-H350 PolarHBondContact O-CE1 3.16Å; R324-H350 PolarHBondContact O-ND1 3.08Å
325S90.4Very high93.4Very high42 Ų4243.9 Ų43.929%0.29420%0.204SC..  trans-155138.4-176177.30000110.9V303 K327V303-S325 WeakPolarHBondContact CG2-O 3.47Å; S325-K327 PolarHBondContact OG-N 2.98Å
326L92.9Very high93.4Very high1 Ų143.2 Ų43.21%0.00520%0.202CC..  trans-9918.7176.4-59.4172.9000112.9V323 G328 F329 L338 I340 L345 H350 L354V323-L326 HydrophobicContact CG1-CD2 4.02Å; L326-G328 PolarHBondContact O-N 3.43Å; L326-G328 VanDerWaalsContact O-N 3.14Å; L326-F329 HydrophobicContact CB-CD2 4.32Å; L326-F329 HydrophobicContact CD2-CD2 3.87Å; L326-F329 HydrophobicContact CD2-CE2 3.93Å; L326-F329 HydrophobicContact CD2-CG 4.5Å; L326-F329 WeakPolarHBondContact O-CB 3.25Å; L326-F329 PolarHBondContact O-N 3.26Å; L326-L338 HydrophobicContact CD1-CD2 4.41Å; L326-I340 HydrophobicContact CD2-CD1 4.09Å; L326-I340 HydrophobicContact CD2-CG1 4.11Å; L326-L345 HydrophobicContact CD1-CD1 3.91Å; L326-L345 HydrophobicContact CG-CD1 4.22Å; L326-L345 HydrophobicContact CG-CD2 4.1Å; L326-H350 VanDerWaalsContact CB-O 3.28Å; L326-H350 WeakPolarHBondContact CB-O 3.44Å; L326-H350 PolarHBondContact N-O 3Å; L326-L354 HydrophobicContact CB-CD2 4.28Å; L326-L354 HydrophobicContact CB-CG 4.43Å; L326-L354 HydrophobicContact CD1-CD1 3.73Å; L326-L354 HydrophobicContact CD1-CD2 4.28Å; L326-L354 HydrophobicContact CD1-CG 4.01Å
327K87Confident93.4Very high119 Ų11944.3 Ų44.352%0.51721%0.206SC..G310 helixtrans-53-38178.9-172.9-175.8173.7-165.30113.1S325 F329 S330 P353S325-K327 PolarHBondContact OG-N 2.98Å; K327-F329 PolarHBondContact O-N 3.18Å; K327-S330 WeakPolarHBondContact O-CB 3.4Å; K327-S330 PolarHBondContact O-N 3.44Å; K327-S330 PolarHBondContact O-OG 2.87Å; K327-P353 HydrophobicContact CB-CG 4.38Å
328G85.8Confident93.4Very high5 Ų541.2 Ų41.25%0.05220%0.195CC..G310 helixtrans-69.2-11.2179.600000115.5V303 L326V303-G328 VanDerWaalsContact O-CA 3.31Å; V303-G328 WeakPolarHBondContact O-CA 3.38Å; L326-G328 PolarHBondContact O-N 3.43Å; L326-G328 VanDerWaalsContact O-N 3.14Å
329F91.2Very high93.4Very high0 Ų041.3 Ų41.30%020%0.195CC..G310 helixtrans-83.1-16175.7-79-109.1000113.4V303 W306 I316 L318 L326 K327 R331 L332 L335 L338 L354 L357V303-F329 HydrophobicContact CB-CD2 4.24Å; V303-F329 HydrophobicContact CB-CE2 3.77Å; V303-F329 HydrophobicContact CG1-CE2 4Å; V303-F329 HydrophobicContact CG2-CD2 3.76Å; V303-F329 HydrophobicContact CG2-CE2 3.69Å; W306-F329 AromaticContact CE3-CE2 3.91Å; W306-F329 HydrophobicContact CE3-CE2 3.91Å; W306-F329 AromaticContact CE3-CZ 3.75Å; W306-F329 HydrophobicContact CE3-CZ 3.75Å; W306-F329 HydrophobicContact CZ3-CE2 4.18Å; W306-F329 AromaticContact CZ3-CZ 3.78Å; W306-F329 HydrophobicContact CZ3-CZ 3.78Å; I316-F329 HydrophobicContact CD1-CE1 3.96Å; I316-F329 HydrophobicContact CD1-CZ 4.47Å; I316-F329 HydrophobicContact CG2-CE1 4.49Å; I316-F329 HydrophobicContact CG2-CZ 4.47Å; L318-F329 HydrophobicContact CD1-CE2 4.22Å; L318-F329 HydrophobicContact CD1-CZ 3.62Å; L326-F329 HydrophobicContact CB-CD2 4.32Å; L326-F329 HydrophobicContact CD2-CD2 3.87Å; L326-F329 HydrophobicContact CD2-CE2 3.93Å; L326-F329 HydrophobicContact CD2-CG 4.5Å; L326-F329 WeakPolarHBondContact O-CB 3.25Å; L326-F329 PolarHBondContact O-N 3.26Å; K327-F329 PolarHBondContact O-N 3.18Å; F329-R331 PolarHBondContact O-N 3.48Å; F329-L332 HydrophobicContact CB-CD1 4.41Å; F329-L332 HydrophobicContact CD1-CD1 3.59Å; F329-L332 HydrophobicContact CE1-CD1 3.87Å; F329-L332 HydrophobicContact CG-CD1 4.03Å; F329-L332 PolarHBondContact O-N 3.04Å; F329-L335 HydrophobicContact CD1-CD2 3.65Å; F329-L335 HydrophobicContact CE1-CD2 3.97Å; F329-L338 HydrophobicContact CD1-CD1 4.46Å; F329-L338 HydrophobicContact CD1-CD2 3.92Å; F329-L338 HydrophobicContact CE1-CD1 3.65Å; F329-L338 HydrophobicContact CE1-CD2 3.92Å; F329-L338 HydrophobicContact CE1-CG 4.42Å; F329-L338 HydrophobicContact CZ-CD1 4.1Å; F329-L354 HydrophobicContact CB-CD2 3.57Å; F329-L354 HydrophobicContact CD1-CD2 4.25Å; F329-L354 HydrophobicContact CG-CD2 4.11Å; F329-L357 WeakPolarHBondContact O-CD2 3.48Å
330S82.9Confident93.3Very high26 Ų2640.4 Ų40.418%0.18219%0.189CC..THydrogen-bonded Turntrans-53.1-16.7-172.749.60000116.6K327K327-S330 WeakPolarHBondContact O-CB 3.4Å; K327-S330 PolarHBondContact O-N 3.44Å; K327-S330 PolarHBondContact O-OG 2.87Å
331R85.9Confident93.3Very high67 Ų6740.8 Ų40.825%0.25319%0.185SC..THydrogen-bonded Turntrans-117.38.1-178.4-62.4178.9-179.7163.8-3.9114H307 F329 Y333 L624H307-R331 HydrophobicContact CB-CB 3.7Å; H307-R331 PolarHBondContact NE2-NH1 3.33Å; F329-R331 PolarHBondContact O-N 3.48Å; R331-Y333 HydrophobicContact CB-CE2 4.11Å; R331-Y333 WeakPolarHBondContact O-CD2 3.47Å; R331-Y333 WeakPolarHBondContact O-CE2 3.45Å; R331-Y333 PolarHBondContact O-N 3.49Å; R331-L624 VanDerWaalsContact CZ-CD2 3.46Å
332L90.3Very high93.3Very high15 Ų1544.4 Ų44.48%0.07920%0.204CC..  trans-82.664.1175.9-62.9179.7000110.4H307 L310 I316 F329 S334 L335 L357H307-L332 HydrophobicContact CB-CD2 4.13Å; L310-L332 HydrophobicContact CB-CD2 4.35Å; L310-L332 HydrophobicContact CD1-CD1 4.2Å; L310-L332 HydrophobicContact CD1-CD2 4.34Å; I316-L332 HydrophobicContact CD1-CD1 4.07Å; F329-L332 HydrophobicContact CB-CD1 4.41Å; F329-L332 HydrophobicContact CD1-CD1 3.59Å; F329-L332 HydrophobicContact CE1-CD1 3.87Å; F329-L332 HydrophobicContact CG-CD1 4.03Å; F329-L332 PolarHBondContact O-N 3.04Å; L332-S334 PolarHBondContact O-N 2.95Å; L332-L335 HydrophobicContact CB-CB 4.15Å; L332-L335 WeakPolarHBondContact O-CB 3.44Å; L332-L335 PolarHBondContact O-N 3.17Å; L332-L357 WeakPolarHBondContact O-CD2 3.35Å
333Y90.7Very high93.3Very high127 Ų12740.3 Ų40.350%0.49819%0.187SC..THydrogen-bonded Turntrans-59.6-22.9-166.4-59.5-64.9000115.2R331 P358 C359R331-Y333 HydrophobicContact CB-CE2 4.11Å; R331-Y333 WeakPolarHBondContact O-CD2 3.47Å; R331-Y333 WeakPolarHBondContact O-CE2 3.45Å; R331-Y333 PolarHBondContact O-N 3.49Å; Y333-P358 HydrophobicContact CD1-CG 4.44Å; Y333-C359 WeakPolarHBondContact O-CB 3.43Å; Y333-C359 PolarHBondContact O-SG 3.2Å; Y333-C359 VanDerWaalsContact O-SG 3.33Å
334S93.7Very high93.2Very high44 Ų4443.6 Ų43.631%0.30820%0.202SC..THydrogen-bonded Turntrans-97.73.7-179.2-55.30000114.2N312 L332 E336N312-S334 WeakPolarHBondContact OD1-CB 3.46Å; N312-S334 PolarHBondContact OD1-OG 3.33Å; L332-S334 PolarHBondContact O-N 2.95Å; S334-E336 PolarHBondContact O-N 3.07Å
335L97.2Very high93.1Very high0 Ų037.6 Ų37.60%018%0.179CC..  trans-66.4123175.7-168.668.9000109.5I316 F329 L332 F337 L338 L357 C359 L360I316-L335 HydrophobicContact CB-CD1 4.13Å; I316-L335 HydrophobicContact CD1-CD1 3.68Å; I316-L335 HydrophobicContact CG1-CD1 3.69Å; F329-L335 HydrophobicContact CD1-CD2 3.65Å; F329-L335 HydrophobicContact CE1-CD2 3.97Å; L332-L335 HydrophobicContact CB-CB 4.15Å; L332-L335 WeakPolarHBondContact O-CB 3.44Å; L332-L335 PolarHBondContact O-N 3.17Å; L335-F337 WeakPolarHBondContact CD1-O 3.42Å; L335-L338 HydrophobicContact CD2-CB 4.2Å; L335-L338 HydrophobicContact CD2-CD2 4.47Å; L335-L357 HydrophobicContact CB-CD1 4.44Å; L335-L357 HydrophobicContact CD2-CD1 4.04Å; L335-C359 CarbonylContact O-C 3.56Å; L335-L360 HydrophobicContact CB-CD1 4.49Å; L335-L360 HydrophobicContact CD2-CD1 4.06Å; L335-L360 HydrophobicContact CG-CD1 3.92Å; L335-L360 WeakPolarHBondContact O-CA 3.39Å; L335-L360 PolarHBondContact O-N 3.03Å
336E98Very high93Very high57 Ų5739.4 Ų39.427%0.26619%0.189SC..  trans-104.9-34.2-180-66.2173.4-160.300111.5K314 S334 C359 K361 E362K314-E336 HydrophobicContact CB-CG 4.48Å; K314-E336 WeakPolarHBondContact CD-OE1 3.49Å; K314-E336 WeakPolarHBondContact CE-OE1 3.41Å; K314-E336 IonicContact NZ-OE1 3.01Å; K314-E336 PolarHBondContact NZ-OE1 3.05Å; K314-E336 WeakPolarHBondContact O-CA 3.43Å; K314-E336 PolarHBondContact O-N 3.12Å; S334-E336 PolarHBondContact O-N 3.07Å; E336-C359 WeakPolarHBondContact CA-O 3.38Å; E336-C359 HydrophobicContact CG-CB 4.34Å; E336-K361 PolarHBondContact O-N 3.23Å; E336-E362 PolarHBondContact O-N 2.97Å; E336-E362 VanDerWaalsContact O-N 3.12Å
337F98.5Very high92.7Very high24 Ų2443.7 Ų43.711%0.10521%0.208CC..EExtended strand (participates in β ladder)trans-133.7133.7-177.2173.5-85000111.3K314 K315 I316 W317 L335 D339 E362 V364K314-F337 PolarHBondContact O-N 2.89Å; K315-F337 WeakPolarHBondContact CA-O 3.46Å; K315-F337 HydrophobicContact CB-CB 4.08Å; K315-F337 HydrophobicContact CB-CD1 4.07Å; K315-F337 HydrophobicContact CB-CG 4.46Å; K315-F337 HydrophobicContact CD-CB 4.33Å; K315-F337 HydrophobicContact CG-CB 3.89Å; I316-F337 PolarHBondContact N-O 2.78Å; W317-F337 AromaticContact CD1-CE1 3.73Å; W317-F337 HydrophobicContact CD2-CD1 4.48Å; W317-F337 AromaticContact CD2-CE1 3.91Å; W317-F337 HydrophobicContact CD2-CE1 3.91Å; W317-F337 AromaticContact CE2-CE1 3.41Å; W317-F337 VanDerWaalsContact CE2-CE1 3.41Å; W317-F337 HydrophobicContact CG-CE1 4.09Å; W317-F337 HydrophobicContact CZ2-CD1 4.2Å; W317-F337 AromaticContact CZ2-CE1 3.86Å; W317-F337 HydrophobicContact CZ2-CE1 3.86Å; W317-F337 HydrophobicContact CZ2-CZ 4.43Å; W317-F337 AromaticContact NE1-CE1 3.28Å; W317-F337 VanDerWaalsContact NE1-CE1 3.28Å; W317-F337 AromaticContact NE1-CZ 3.57Å; L335-F337 WeakPolarHBondContact CD1-O 3.42Å; F337-D339 HydrophobicContact CE1-CB 3.69Å; F337-D339 HydrophobicContact CZ-CB 3.79Å; F337-E362 WeakPolarHBondContact CA-O 3.38Å; F337-E362 HydrophobicContact CD2-CB 3.8Å; F337-E362 VanDerWaalsContact CD2-CD 3.49Å; F337-E362 HydrophobicContact CD2-CG 3.76Å; F337-E362 WeakPolarHBondContact CD2-OE2 3.39Å; F337-E362 HydrophobicContact CE2-CB 4.49Å; F337-E362 HydrophobicContact CE2-CG 3.95Å; F337-V364 HydrophobicContact CE2-CG2 4.26Å; F337-V364 HydrophobicContact CZ-CG2 4.38Å
338L98.2Very high92.5Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-135.3119.1172.1177.758.2000111.4I316 L318 L326 F329 L335 I340 L354 L360 E362 L363 V364I316-L338 HydrophobicContact CB-CD1 4.09Å; I316-L338 HydrophobicContact CG2-CD1 4.04Å; I316-L338 WeakPolarHBondContact O-CA 3.37Å; L318-L338 HydrophobicContact CD1-CD1 4.44Å; L326-L338 HydrophobicContact CD1-CD2 4.41Å; F329-L338 HydrophobicContact CD1-CD1 4.46Å; F329-L338 HydrophobicContact CD1-CD2 3.92Å; F329-L338 HydrophobicContact CE1-CD1 3.65Å; F329-L338 HydrophobicContact CE1-CD2 3.92Å; F329-L338 HydrophobicContact CE1-CG 4.42Å; F329-L338 HydrophobicContact CZ-CD1 4.1Å; L335-L338 HydrophobicContact CD2-CB 4.2Å; L335-L338 HydrophobicContact CD2-CD2 4.47Å; L338-I340 HydrophobicContact CG-CB 4.48Å; L338-L354 HydrophobicContact CD2-CD1 3.87Å; L338-L354 HydrophobicContact CD2-CD2 3.91Å; L338-L360 HydrophobicContact CB-CD1 4.15Å; L338-E362 PolarHBondContact N-O 3.02Å; L338-L363 HydrophobicContact CB-CD1 4.13Å; L338-L363 HydrophobicContact CD2-CD1 3.99Å; L338-L363 HydrophobicContact CG-CD1 4.06Å; L338-L363 WeakPolarHBondContact O-CA 3.4Å; L338-V364 PolarHBondContact O-N 2.92Å
339D98.4Very high92.3Very high2 Ų248.1 Ų48.11%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-102.7115.7166.3-173.5-24.8000109.6I316 W317 L318 T319 F337 R341 V364I316-D339 PolarHBondContact O-N 3.32Å; W317-D339 HydrophobicContact CB-CB 4.42Å; W317-D339 HydrophobicContact CG-CB 4.2Å; L318-D339 WeakPolarHBondContact CA-O 3.32Å; L318-D339 WeakPolarHBondContact CB-O 3.38Å; L318-D339 PolarHBondContact N-O 2.93Å; T319-D339 PolarHBondContact OG1-OD1 2.86Å; T319-D339 PolarHBondContact OG1-OD2 3.14Å; F337-D339 HydrophobicContact CE1-CB 3.69Å; F337-D339 HydrophobicContact CZ-CB 3.79Å; D339-R341 WeakPolarHBondContact OD1-CB 3.3Å; D339-R341 VanDerWaalsContact OD1-CG 3.26Å; D339-R341 WeakPolarHBondContact OD1-CG 3.33Å; D339-R341 PolarHBondContact OD1-N 2.73Å; D339-R341 IonicContact OD1-NE 3.94Å; D339-R341 PolarHBondContact OD1-NE 3.36Å; D339-R341 VanDerWaalsContact OD1-NE 3.1Å; D339-R341 IonicContact OD2-CZ 2.78Å; D339-R341 VanDerWaalsContact OD2-CZ 3.25Å; D339-R341 IonicContact OD2-NE 3.15Å; D339-R341 PolarHBondContact OD2-NE 3.49Å; D339-R341 IonicContact OD2-NH2 2.95Å; D339-R341 PolarHBondContact OD2-NH2 3.45Å; D339-V364 HydrophobicContact CB-CB 4.4Å
340I97.3Very high92.1Very high1 Ų149.6 Ų49.61%0.00523%0.23CC..  trans-123.925.4179.5-159.965.1000111.5L318 V323 L326 L338 N343 L345 L363 V364 L365 N368L318-I340 HydrophobicContact CB-CD1 3.5Å; L318-I340 VanDerWaalsContact CB-CD1 3.5Å; L318-I340 HydrophobicContact CD1-CD1 3.74Å; L318-I340 HydrophobicContact CG-CD1 4.27Å; V323-I340 HydrophobicContact CB-CD1 4.13Å; V323-I340 HydrophobicContact CG1-CD1 4.34Å; V323-I340 HydrophobicContact CG2-CD1 4.18Å; L326-I340 HydrophobicContact CD2-CD1 4.09Å; L326-I340 HydrophobicContact CD2-CG1 4.11Å; L338-I340 HydrophobicContact CG-CB 4.48Å; I340-N343 HydrophobicContact CG1-CB 4.22Å; I340-N343 PolarHBondContact O-ND2 2.83Å; I340-N343 VanDerWaalsContact O-ND2 3.07Å; I340-L345 HydrophobicContact CG1-CD1 3.92Å; I340-L345 HydrophobicContact CG2-CD1 3.95Å; I340-L363 HydrophobicContact CG2-CD1 4.3Å; I340-V364 WeakPolarHBondContact CG2-O 3.42Å; I340-V364 PolarHBondContact N-O 2.88Å; I340-L365 HydrophobicContact CG2-CB 3.75Å; I340-N368 PolarHBondContact O-ND2 3.33Å
341R96.9Very high92.3Very high95 Ų9548.5 Ų48.536%0.35822%0.222SC..  trans-56151-179.9-71.2-176.9-76.1172.9-0.8112.9T319 N320 D339 N343 V364 S366T319-R341 CarbonylContact C-O 3.47Å; T319-R341 VanDerWaalsContact CA-O 3.27Å; T319-R341 WeakPolarHBondContact CA-O 3.38Å; T319-R341 HydrophobicContact CG2-CB 3.86Å; N320-R341 PolarHBondContact N-O 2.81Å; D339-R341 WeakPolarHBondContact OD1-CB 3.3Å; D339-R341 VanDerWaalsContact OD1-CG 3.26Å; D339-R341 WeakPolarHBondContact OD1-CG 3.33Å; D339-R341 PolarHBondContact OD1-N 2.73Å; D339-R341 IonicContact OD1-NE 3.94Å; D339-R341 PolarHBondContact OD1-NE 3.36Å; D339-R341 VanDerWaalsContact OD1-NE 3.1Å; D339-R341 IonicContact OD2-CZ 2.78Å; D339-R341 VanDerWaalsContact OD2-CZ 3.25Å; D339-R341 IonicContact OD2-NE 3.15Å; D339-R341 PolarHBondContact OD2-NE 3.49Å; D339-R341 IonicContact OD2-NH2 2.95Å; D339-R341 PolarHBondContact OD2-NH2 3.45Å; R341-N343 PolarHBondContact O-N 2.73Å; R341-N343 PolarHBondContact O-ND2 3.01Å; R341-V364 VanDerWaalsContact CD-CG1 3.42Å; R341-V364 HydrophobicContact CG-CB 4.24Å; R341-V364 HydrophobicContact CG-CG1 3.49Å; R341-V364 VanDerWaalsContact CG-CG1 3.49Å; R341-S366 CarbonylContact C-O 3.6Å; R341-S366 WeakPolarHBondContact CA-O 3.44Å; R341-S366 WeakPolarHBondContact CB-O 3.39Å; R341-S366 WeakPolarHBondContact CD-OG 3.37Å; R341-S366 WeakPolarHBondContact CG-OG 3.2Å
342D97.2Very high92.3Very high84 Ų8449.6 Ų49.645%0.44923%0.227SC..SBendtrans51.254.3175.1-55-50.6000112.8N320 N321 S366N320-D342 VanDerWaalsContact CA-O 3.27Å; N320-D342 WeakPolarHBondContact CA-O 3.31Å; N320-D342 HydrophobicContact CB-CB 4.38Å; N320-D342 PolarHBondContact N-O 3.23Å; N321-D342 PolarHBondContact N-O 3.38Å; D342-S366 PolarHBondContact N-O 2.84Å
343N96.8Very high92.2Very high12 Ų1249.9 Ų49.96%0.06423%0.23CC..SBendtrans-120-168.9175.2-86.9-88.1000110.4L318 N321 K322 V323 I340 R341 N368L318-N343 PolarHBondContact O-ND2 3.11Å; N321-N343 WeakPolarHBondContact CA-OD1 3.23Å; N321-N343 WeakPolarHBondContact CB-OD1 3.42Å; N321-N343 PolarHBondContact O-OD1 3.34Å; K322-N343 PolarHBondContact N-OD1 3.21Å; V323-N343 HydrophobicContact CB-CB 4.39Å; V323-N343 VanDerWaalsContact CB-OD1 3.27Å; V323-N343 WeakPolarHBondContact CB-OD1 3.37Å; V323-N343 WeakPolarHBondContact CG2-OD1 3.39Å; V323-N343 PolarHBondContact N-OD1 2.96Å; I340-N343 HydrophobicContact CG1-CB 4.22Å; I340-N343 PolarHBondContact O-ND2 2.83Å; I340-N343 VanDerWaalsContact O-ND2 3.07Å; R341-N343 PolarHBondContact O-N 2.73Å; R341-N343 PolarHBondContact O-ND2 3.01Å; N343-N368 VanDerWaalsContact CA-OD1 3.32Å; N343-N368 WeakPolarHBondContact CA-OD1 3.25Å; N343-N368 WeakPolarHBondContact CB-OD1 3.49Å; N343-N368 PolarHBondContact N-OD1 3.27Å; N343-N368 PolarHBondContact O-OD1 2.86Å
344Q94.9Very high92.3Very high69 Ų6943.9 Ų43.932%0.32221%0.206SC..  trans-109.233.6-174.2-62.5-179.213.400112.4V323 R324 T346 N368V323-Q344 CarbonylContact O-C 2.87Å; V323-Q344 WeakPolarHBondContact O-CA 3.42Å; V323-Q344 PolarHBondContact O-N 3.15Å; R324-Q344 HydrophobicContact CG-CB 3.81Å; Q344-T346 PolarHBondContact O-N 3.3Å; Q344-T346 VanDerWaalsContact O-N 3.12Å; Q344-N368 PolarHBondContact N-OD1 2.96Å
345L92Very high92Very high0 Ų042.5 Ų42.50%020%0.199CC..  trans-78.295.6177-56.9171.1000109.9L326 I340 H350 V351 N368 G369 V370L326-L345 HydrophobicContact CD1-CD1 3.91Å; L326-L345 HydrophobicContact CG-CD1 4.22Å; L326-L345 HydrophobicContact CG-CD2 4.1Å; I340-L345 HydrophobicContact CG1-CD1 3.92Å; I340-L345 HydrophobicContact CG2-CD1 3.95Å; L345-H350 HydrophobicContact CD2-CB 3.82Å; L345-V351 HydrophobicContact CD1-CG2 4.43Å; L345-N368 HydrophobicContact CB-CB 4.01Å; L345-N368 VanDerWaalsContact CB-OD1 3.29Å; L345-N368 WeakPolarHBondContact CB-OD1 3.18Å; L345-N368 WeakPolarHBondContact CG-OD1 3.4Å; L345-N368 PolarHBondContact N-OD1 2.93Å; L345-G369 CarbonylContact O-C 3.19Å; L345-G369 PolarHBondContact O-N 3.28Å; L345-G369 VanDerWaalsContact O-N 3.08Å; L345-V370 WeakPolarHBondContact O-CB 3.4Å; L345-V370 PolarHBondContact O-N 2.97Å
346T88.1Confident91.3Very high80 Ų8049 Ų4949%0.49123%0.23SC..  trans-91.9-17.4-176.955.30000114.9Q344Q344-T346 PolarHBondContact O-N 3.3Å; Q344-T346 VanDerWaalsContact O-N 3.12Å
347H86Confident91Very high90 Ų9046.3 Ų46.342%0.41722%0.217SC..SBendtrans-132.1142.4-175.4-60.2-63.6000111.9R349 H350H347-R349 HydrophobicContact CB-CG 3.86Å; H347-R349 PolarHBondContact CD2-NH2 3.41Å; H347-R349 PolarHBondContact NE2-NH2 2.78Å; H347-R349 PolarHBondContact O-N 3.15Å; H347-R349 VanDerWaalsContact O-N 3.14Å; H347-H350 AromaticContact CD2-CE1 3.63Å; H347-H350 AromaticContact CD2-NE2 3.84Å; H347-H350 WeakPolarHBondContact O-CB 3.27Å; H347-H350 VanDerWaalsContact O-CG 3.28Å; H347-H350 PolarHBondContact O-N 3.03Å
348L81.8Confident90.7Very high45 Ų4548.5 Ų48.524%0.23623%0.233CC..G310 helixtrans-55.3-33.4178-73.9159.1000114.1H350 V351 W352 V370 R379 V380L348-H350 PolarHBondContact O-N 3.05Å; L348-V351 PolarHBondContact O-N 2.82Å; L348-W352 PolarHBondContact O-N 2.96Å; L348-V370 HydrophobicContact CB-CG2 4.34Å; L348-V370 HydrophobicContact CD2-CG2 3.47Å; L348-V370 VanDerWaalsContact CD2-CG2 3.47Å; L348-V370 HydrophobicContact CG-CG2 3.7Å; L348-R379 HydrophobicContact CD1-CB 3.55Å; L348-R379 HydrophobicContact CD1-CG 4.04Å; L348-R379 HydrophobicContact CD2-CB 3.68Å; L348-R379 HydrophobicContact CG-CB 4.27Å; L348-V380 HydrophobicContact CD2-CG2 3.67Å
349R82.9Confident90.6Very high173 Ų17351 Ų5165%0.65325%0.25SS*.G310 helixtrans-58-21.1175.765.5178.7166.9-166.9-10.4113.4H347 V351H347-R349 HydrophobicContact CB-CG 3.86Å; H347-R349 PolarHBondContact CD2-NH2 3.41Å; H347-R349 PolarHBondContact NE2-NH2 2.78Å; H347-R349 PolarHBondContact O-N 3.15Å; H347-R349 VanDerWaalsContact O-N 3.14Å; R349-V351 VanDerWaalsContact C-N 3.34Å
350H86.5Confident90.6Very high30 Ų3050.9 Ų50.914%0.13925%0.25CC..G310 helixtrans-75.6-25.2177.8-57.9165.2000112.2R324 L326 L345 H347 L348R324-H350 PolarHBondContact O-CE1 3.16Å; R324-H350 PolarHBondContact O-ND1 3.08Å; L326-H350 VanDerWaalsContact CB-O 3.28Å; L326-H350 WeakPolarHBondContact CB-O 3.44Å; L326-H350 PolarHBondContact N-O 3Å; L345-H350 HydrophobicContact CD2-CB 3.82Å; H347-H350 AromaticContact CD2-CE1 3.63Å; H347-H350 AromaticContact CD2-NE2 3.84Å; H347-H350 WeakPolarHBondContact O-CB 3.27Å; H347-H350 VanDerWaalsContact O-CG 3.28Å; H347-H350 PolarHBondContact O-N 3.03Å; L348-H350 PolarHBondContact O-N 3.05Å
351V88.2Confident90.5Very high3 Ų356.9 Ų56.92%0.01828%0.276CS..THydrogen-bonded Turntrans-94.4-28.7-178.4-172.90000111.9L345 L348 R349 P353 L354 L363 V370 V380L345-V351 HydrophobicContact CD1-CG2 4.43Å; L348-V351 PolarHBondContact O-N 2.82Å; R349-V351 VanDerWaalsContact C-N 3.34Å; V351-P353 VanDerWaalsContact C-N 3.26Å; V351-P353 WeakPolarHBondContact O-CD 3.21Å; V351-L354 HydrophobicContact CG1-CD1 4.06Å; V351-L354 WeakPolarHBondContact O-CB 3.38Å; V351-L354 WeakPolarHBondContact O-CG 3.29Å; V351-L354 PolarHBondContact O-N 2.82Å; V351-L363 HydrophobicContact CG1-CD2 4.17Å; V351-V370 HydrophobicContact CG2-CG2 4.42Å; V351-V380 HydrophobicContact CG1-CG1 4.11Å
352W84.7Confident90.6Very high90 Ų9055.9 Ų55.934%0.34128%0.275SS..G310 helixtrans-45.7-37-179.6-152.8-77.8000116.3L348 L354 G355 E382 A383L348-W352 PolarHBondContact O-N 2.96Å; W352-L354 PolarHBondContact O-N 3.45Å; W352-L354 VanDerWaalsContact O-N 3.14Å; W352-G355 PolarHBondContact O-N 3.08Å; W352-G355 VanDerWaalsContact O-N 3.08Å; W352-E382 HydrophobicContact CH2-CG 4.12Å; W352-A383 HydrophobicContact CD2-CB 4.09Å; W352-A383 HydrophobicContact CE3-CB 3.96Å; W352-A383 HydrophobicContact CG-CB 4.42Å; W352-A383 HydrophobicContact CZ3-CB 4.41Å
353P88.3Confident90.6Very high22 Ų2251.9 Ų51.914%0.14325%0.254CS..G310 helixtrans-56.1-25.4175.4-28.538.2000115.1K327 V351 G355K327-P353 HydrophobicContact CB-CG 4.38Å; V351-P353 VanDerWaalsContact C-N 3.26Å; V351-P353 WeakPolarHBondContact O-CD 3.21Å; P353-G355 VanDerWaalsContact C-N 3.3Å; P353-G355 PolarHBondContact O-N 2.94Å
354L92.4Very high90.6Very high0 Ų052.2 Ų52.20%026%0.256CS..G310 helixtrans-70.4-25.7177.6-61.6-173.2000113.3L326 F329 L338 V351 W352 Q356 L357 L360 L363 F384L326-L354 HydrophobicContact CB-CD2 4.28Å; L326-L354 HydrophobicContact CB-CG 4.43Å; L326-L354 HydrophobicContact CD1-CD1 3.73Å; L326-L354 HydrophobicContact CD1-CD2 4.28Å; L326-L354 HydrophobicContact CD1-CG 4.01Å; F329-L354 HydrophobicContact CB-CD2 3.57Å; F329-L354 HydrophobicContact CD1-CD2 4.25Å; F329-L354 HydrophobicContact CG-CD2 4.11Å; L338-L354 HydrophobicContact CD2-CD1 3.87Å; L338-L354 HydrophobicContact CD2-CD2 3.91Å; V351-L354 HydrophobicContact CG1-CD1 4.06Å; V351-L354 WeakPolarHBondContact O-CB 3.38Å; V351-L354 WeakPolarHBondContact O-CG 3.29Å; V351-L354 PolarHBondContact O-N 2.82Å; W352-L354 PolarHBondContact O-N 3.45Å; W352-L354 VanDerWaalsContact O-N 3.14Å; L354-Q356 PolarHBondContact O-N 3.15Å; L354-L357 HydrophobicContact CD2-CD1 3.88Å; L354-L357 VanDerWaalsContact O-CB 3.3Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 3.36Å; L354-L360 HydrophobicContact CB-CD2 4.25Å; L354-L360 HydrophobicContact CD1-CD2 4.24Å; L354-L363 HydrophobicContact CD1-CD1 3.72Å; L354-L363 HydrophobicContact CD1-CD2 3.74Å; L354-L363 HydrophobicContact CD1-CG 4.38Å; L354-F384 HydrophobicContact CB-CE1 4.2Å; L354-F384 HydrophobicContact CB-CZ 4.07Å
355G86.9Confident90.6Very high16 Ų1649.1 Ų49.117%0.16524%0.242CC..G310 helixtrans-60.5-19.1-178.100000114.4W352 P353 A383W352-G355 PolarHBondContact O-N 3.08Å; W352-G355 VanDerWaalsContact O-N 3.08Å; P353-G355 VanDerWaalsContact C-N 3.3Å; P353-G355 PolarHBondContact O-N 2.94Å; G355-A383 VanDerWaalsContact CA-O 3.23Å; G355-A383 WeakPolarHBondContact CA-O 3.5Å
356Q83.7Confident90.7Very high137 Ų13751.1 Ų51.164%0.6426%0.256SS*.G310 helixtrans-85.9-7177.9-61.7-176.3-8.700113.4L354 P358L354-Q356 PolarHBondContact O-N 3.15Å; Q356-P358 VanDerWaalsContact O-CD 3.29Å; Q356-P358 WeakPolarHBondContact O-CD 3.41Å
357L92.1Very high90.9Very high0 Ų049.3 Ų49.30%025%0.253CS..  trans-83.2107.6-175.5-65.3-176.1000111.3F329 L332 L335 L354 C359 L360 R387F329-L357 WeakPolarHBondContact O-CD2 3.48Å; L332-L357 WeakPolarHBondContact O-CD2 3.35Å; L335-L357 HydrophobicContact CB-CD1 4.44Å; L335-L357 HydrophobicContact CD2-CD1 4.04Å; L354-L357 HydrophobicContact CD2-CD1 3.88Å; L354-L357 VanDerWaalsContact O-CB 3.3Å; L354-L357 WeakPolarHBondContact O-CB 3.31Å; L354-L357 PolarHBondContact O-N 3.36Å; L357-C359 VanDerWaalsContact C-N 3.28Å; L357-C359 PolarHBondContact O-N 3.03Å; L357-L360 HydrophobicContact CB-CB 4.01Å; L357-L360 PolarHBondContact O-N 2.78Å; L357-R387 PolarHBondContact O-NH1 3.14Å
358P92.4Very high91.3Very high69 Ų6945.3 Ų45.345%0.44823%0.234SC..THydrogen-bonded Turntrans-69.7-22.5-168.829.7-36.4000113.8Y333 Q356 R387Y333-P358 HydrophobicContact CD1-CG 4.44Å; Q356-P358 VanDerWaalsContact O-CD 3.29Å; Q356-P358 WeakPolarHBondContact O-CD 3.41Å; P358-R387 VanDerWaalsContact O-CZ 3.23Å; P358-R387 PolarHBondContact O-NH2 3Å
359C95.7Very high91.5Very high52 Ų5244.5 Ų44.535%0.35124%0.237SC..THydrogen-bonded Turntrans-101.7-6.4-176.9-62.70000114.1Y333 L335 E336 L357 K361Y333-C359 WeakPolarHBondContact O-CB 3.43Å; Y333-C359 PolarHBondContact O-SG 3.2Å; Y333-C359 VanDerWaalsContact O-SG 3.33Å; L335-C359 CarbonylContact O-C 3.56Å; E336-C359 WeakPolarHBondContact CA-O 3.38Å; E336-C359 HydrophobicContact CG-CB 4.34Å; L357-C359 VanDerWaalsContact C-N 3.28Å; L357-C359 PolarHBondContact O-N 3.03Å; C359-K361 PolarHBondContact O-N 3.48Å
360L97Very high91.6Very high0 Ų036.6 Ų36.60%021%0.208CC..  trans-69.4122.3-176.1-167.473.8000109.6L335 L338 L354 L357 F384 R387L335-L360 HydrophobicContact CB-CD1 4.49Å; L335-L360 HydrophobicContact CD2-CD1 4.06Å; L335-L360 HydrophobicContact CG-CD1 3.92Å; L335-L360 WeakPolarHBondContact O-CA 3.39Å; L335-L360 PolarHBondContact O-N 3.03Å; L338-L360 HydrophobicContact CB-CD1 4.15Å; L354-L360 HydrophobicContact CB-CD2 4.25Å; L354-L360 HydrophobicContact CD1-CD2 4.24Å; L357-L360 HydrophobicContact CB-CB 4.01Å; L357-L360 PolarHBondContact O-N 2.78Å; L360-F384 HydrophobicContact CD2-CE1 3.81Å; L360-F384 HydrophobicContact CD2-CZ 3.95Å; L360-R387 PolarHBondContact O-NH2 2.96Å; L360-R387 VanDerWaalsContact O-NH2 3.1Å
361K96.9Very high91.3Very high128 Ų12838.7 Ų38.756%0.55722%0.218SC*.  trans-116.4-28.5-178.1-68177.6-176.4-179.50112.7E336 C359 V391 T392E336-K361 PolarHBondContact O-N 3.23Å; C359-K361 PolarHBondContact O-N 3.48Å; K361-V391 CarbonylContact O-C 3.46Å; K361-V391 WeakPolarHBondContact O-CA 3.48Å; K361-T392 PolarHBondContact O-N 3.1Å
362E97.9Very high90.8Very high73 Ų7345.5 Ų45.534%0.34125%0.254SS..EExtended strand (participates in β ladder)trans-134125.9-177-169.5174.1170.700110.8E336 F337 L338 T392E336-E362 PolarHBondContact O-N 2.97Å; E336-E362 VanDerWaalsContact O-N 3.12Å; F337-E362 WeakPolarHBondContact CA-O 3.38Å; F337-E362 HydrophobicContact CD2-CB 3.8Å; F337-E362 VanDerWaalsContact CD2-CD 3.49Å; F337-E362 HydrophobicContact CD2-CG 3.76Å; F337-E362 WeakPolarHBondContact CD2-OE2 3.39Å; F337-E362 HydrophobicContact CE2-CB 4.49Å; F337-E362 HydrophobicContact CE2-CG 3.95Å; L338-E362 PolarHBondContact N-O 3.02Å; E362-T392 WeakPolarHBondContact CA-O 3.27Å
363L97.5Very high90.4Very high1 Ų143 Ų431%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-128.4122.2176.7174.962.3000109.1L338 I340 V351 L354 L365 V380 F384 V391 T392 L393 D394L338-L363 HydrophobicContact CB-CD1 4.13Å; L338-L363 HydrophobicContact CD2-CD1 3.99Å; L338-L363 HydrophobicContact CG-CD1 4.06Å; L338-L363 WeakPolarHBondContact O-CA 3.4Å; I340-L363 HydrophobicContact CG2-CD1 4.3Å; V351-L363 HydrophobicContact CG1-CD2 4.17Å; L354-L363 HydrophobicContact CD1-CD1 3.72Å; L354-L363 HydrophobicContact CD1-CD2 3.74Å; L354-L363 HydrophobicContact CD1-CG 4.38Å; L363-L365 HydrophobicContact CD2-CD2 3.82Å; L363-L365 HydrophobicContact CG-CD2 3.81Å; L363-V380 HydrophobicContact CD2-CG1 4.27Å; L363-F384 HydrophobicContact CD2-CE2 4.15Å; L363-F384 HydrophobicContact CD2-CZ 3.99Å; L363-V391 HydrophobicContact CB-CG1 4.5Å; L363-T392 PolarHBondContact N-O 3.33Å; L363-L393 HydrophobicContact CB-CD1 3.91Å; L363-L393 HydrophobicContact CD2-CD1 3.75Å; L363-L393 HydrophobicContact CG-CD1 3.89Å; L363-L393 CarbonylContact O-C 3.6Å; L363-L393 WeakPolarHBondContact O-CA 3.23Å; L363-D394 PolarHBondContact O-N 3.23Å
364V97.2Very high89.8Confident18 Ų1847.3 Ų47.311%0.10928%0.282CS..EExtended strand (participates in β ladder)trans-113.3115.7173.3-163.40000107.9F337 L338 D339 I340 R341 D394F337-V364 HydrophobicContact CE2-CG2 4.26Å; F337-V364 HydrophobicContact CZ-CG2 4.38Å; L338-V364 PolarHBondContact O-N 2.92Å; D339-V364 HydrophobicContact CB-CB 4.4Å; I340-V364 WeakPolarHBondContact CG2-O 3.42Å; I340-V364 PolarHBondContact N-O 2.88Å; R341-V364 VanDerWaalsContact CD-CG1 3.42Å; R341-V364 HydrophobicContact CG-CB 4.24Å; R341-V364 HydrophobicContact CG-CG1 3.49Å; R341-V364 VanDerWaalsContact CG-CG1 3.49Å; V364-D394 WeakPolarHBondContact CA-OD1 3.29Å; V364-D394 WeakPolarHBondContact CG1-OD1 3.23Å
365L95.3Very high89.4Confident4 Ų451.6 Ų51.62%0.02131%0.305CS..  trans-128.29.3-176.768.2129.8000113.9I340 L363 N368 V370 E371 V380 L393 D394I340-L365 HydrophobicContact CG2-CB 3.75Å; L363-L365 HydrophobicContact CD2-CD2 3.82Å; L363-L365 HydrophobicContact CG-CD2 3.81Å; L365-N368 WeakPolarHBondContact O-CB 3.46Å; L365-N368 PolarHBondContact O-N 2.8Å; L365-N368 PolarHBondContact O-ND2 2.96Å; L365-V370 HydrophobicContact CD1-CG1 3.43Å; L365-V370 VanDerWaalsContact CD1-CG1 3.43Å; L365-E371 HydrophobicContact CD1-CG 4.08Å; L365-V380 HydrophobicContact CD1-CG2 4.3Å; L365-V380 HydrophobicContact CD2-CG1 4.17Å; L365-L393 HydrophobicContact CD2-CD1 3.21Å; L365-L393 HydrophobicContact CD2-CD2 4.44Å; L365-L393 HydrophobicContact CD2-CG 3.92Å; L365-D394 PolarHBondContact N-OD1 3.44Å
366S93.4Very high89.4Confident43 Ų4351.3 Ų51.330%0.30130%0.302SS..THydrogen-bonded Turntrans-49.8140.1177.873.80000113.7R341 D342 E371 D394R341-S366 CarbonylContact C-O 3.6Å; R341-S366 WeakPolarHBondContact CA-O 3.44Å; R341-S366 WeakPolarHBondContact CB-O 3.39Å; R341-S366 WeakPolarHBondContact CD-OG 3.37Å; R341-S366 WeakPolarHBondContact CG-OG 3.2Å; D342-S366 PolarHBondContact N-O 2.84Å; S366-E371 VanDerWaalsContact CA-OE1 3.3Å; S366-E371 WeakPolarHBondContact CA-OE1 3.31Å; S366-E371 WeakPolarHBondContact CA-OE2 3.19Å; S366-D394 PolarHBondContact N-OD1 2.88Å
367G92.3Very high89.9Confident41 Ų4147.6 Ų47.642%0.42328%0.282SS..THydrogen-bonded Turntrans83.119.5-179.900000113.7E371G367-E371 PolarHBondContact N-OE2 2.68Å
368N93.5Very high89.8Confident6 Ų648.1 Ų48.13%0.03229%0.285CS..SBendtrans-108.3150.6171.1-78.3-88.6000111.3I340 N343 Q344 L345 L365 V370 E371I340-N368 PolarHBondContact O-ND2 3.33Å; N343-N368 VanDerWaalsContact CA-OD1 3.32Å; N343-N368 WeakPolarHBondContact CA-OD1 3.25Å; N343-N368 WeakPolarHBondContact CB-OD1 3.49Å; N343-N368 PolarHBondContact N-OD1 3.27Å; N343-N368 PolarHBondContact O-OD1 2.86Å; Q344-N368 PolarHBondContact N-OD1 2.96Å; L345-N368 HydrophobicContact CB-CB 4.01Å; L345-N368 VanDerWaalsContact CB-OD1 3.29Å; L345-N368 WeakPolarHBondContact CB-OD1 3.18Å; L345-N368 WeakPolarHBondContact CG-OD1 3.4Å; L345-N368 PolarHBondContact N-OD1 2.93Å; L365-N368 WeakPolarHBondContact O-CB 3.46Å; L365-N368 PolarHBondContact O-N 2.8Å; L365-N368 PolarHBondContact O-ND2 2.96Å; N368-V370 HydrophobicContact CB-CG1 3.96Å; N368-V370 PolarHBondContact O-N 2.9Å; N368-E371 PolarHBondContact O-N 2.87Å
369G86.4Confident89.7Confident29 Ų2949.8 Ų49.830%0.29928%0.283SS..G310 helixtrans-63.1-15.6-179.300000115.4L345 E371 N372L345-G369 CarbonylContact O-C 3.19Å; L345-G369 PolarHBondContact O-N 3.28Å; L345-G369 VanDerWaalsContact O-N 3.08Å; G369-E371 PolarHBondContact O-N 3.26Å; G369-N372 PolarHBondContact O-N 2.79Å
370V85.5Confident89.6Confident7 Ų747.5 Ų47.54%0.04227%0.267CS..G310 helixtrans-65.1-22.4176.468.70000112.9L345 L348 V351 L365 N368 N372 A376 V380L345-V370 WeakPolarHBondContact O-CB 3.4Å; L345-V370 PolarHBondContact O-N 2.97Å; L348-V370 HydrophobicContact CB-CG2 4.34Å; L348-V370 HydrophobicContact CD2-CG2 3.47Å; L348-V370 VanDerWaalsContact CD2-CG2 3.47Å; L348-V370 HydrophobicContact CG-CG2 3.7Å; V351-V370 HydrophobicContact CG2-CG2 4.42Å; L365-V370 HydrophobicContact CD1-CG1 3.43Å; L365-V370 VanDerWaalsContact CD1-CG1 3.43Å; N368-V370 HydrophobicContact CB-CG1 3.96Å; N368-V370 PolarHBondContact O-N 2.9Å; V370-N372 VanDerWaalsContact C-N 3.33Å; V370-A376 VanDerWaalsContact O-CB 3.31Å; V370-A376 WeakPolarHBondContact O-CB 3.34Å; V370-V380 HydrophobicContact CG2-CG2 4.38Å
371E79.6Confident89.4Confident74 Ų7447.5 Ų47.535%0.34627%0.267SS..G310 helixtrans-76-19.7-179.8-61.3-170.5128.800113.5L365 S366 G367 N368 G369 G373 A376L365-E371 HydrophobicContact CD1-CG 4.08Å; S366-E371 VanDerWaalsContact CA-OE1 3.3Å; S366-E371 WeakPolarHBondContact CA-OE1 3.31Å; S366-E371 WeakPolarHBondContact CA-OE2 3.19Å; G367-E371 PolarHBondContact N-OE2 2.68Å; N368-E371 PolarHBondContact O-N 2.87Å; G369-E371 PolarHBondContact O-N 3.26Å; E371-G373 PolarHBondContact O-N 2.91Å; E371-G373 VanDerWaalsContact O-N 3.12Å; E371-A376 WeakPolarHBondContact O-CB 3.39Å
372N79.2Confident89.2Confident145 Ų14542.8 Ų42.878%0.77525%0.247SC*.G310 helixtrans-73.8-4.9-173.5-63.9-20.1000113.8G369 V370G369-N372 PolarHBondContact O-N 2.79Å; V370-N372 VanDerWaalsContact C-N 3.33Å
373G74.9Confident88.8Confident39 Ų3939.8 Ų39.840%0.40223%0.234SC..SBendtrans-84.6149-178.600000113.3E371 D375 A376E371-G373 PolarHBondContact O-N 2.91Å; E371-G373 VanDerWaalsContact O-N 3.12Å; G373-D375 PolarHBondContact O-N 3.39Å; G373-A376 VanDerWaalsContact O-CB 3.22Å; G373-A376 WeakPolarHBondContact O-CB 3.24Å; G373-A376 PolarHBondContact O-N 2.77Å
374V76.9Confident88.6Confident111 Ų11140 Ų4067%0.67324%0.236SC*.THydrogen-bonded Turntrans-55.8130.6166.9-1780000109.1A376 R379V374-A376 PolarHBondContact O-N 2.79Å; V374-R379 PolarHBondContact O-NE 3.14Å
375D84.3Confident88.3Confident90 Ų9039.9 Ų39.948%0.48124%0.238SC..THydrogen-bonded Turntrans56.828.3-176.7-55.6-30.7000113.9G373 R377 T378 R379 R409G373-D375 PolarHBondContact O-N 3.39Å; D375-R377 PolarHBondContact O-N 3Å; D375-T378 WeakPolarHBondContact CB-OG1 3.38Å; D375-T378 PolarHBondContact O-N 2.8Å; D375-T378 VanDerWaalsContact O-N 3.15Å; D375-T378 PolarHBondContact O-OG1 2.78Å; D375-R379 WeakPolarHBondContact O-CG 3.5Å; D375-R379 PolarHBondContact O-N 3.19Å; D375-R409 VanDerWaalsContact CB-NH2 3.32Å; D375-R409 IonicContact OD2-NH2 3.38Å; D375-R409 PolarHBondContact OD2-NH2 2.86Å
376A86.8Confident88Confident11 Ų1148.8 Ų48.89%0.09128%0.279CS..Hα-helixtrans-49.4-46.5-177.400000112.2V370 E371 G373 V374 T378 R379 V380V370-A376 VanDerWaalsContact O-CB 3.31Å; V370-A376 WeakPolarHBondContact O-CB 3.34Å; E371-A376 WeakPolarHBondContact O-CB 3.39Å; G373-A376 VanDerWaalsContact O-CB 3.22Å; G373-A376 WeakPolarHBondContact O-CB 3.24Å; G373-A376 PolarHBondContact O-N 2.77Å; V374-A376 PolarHBondContact O-N 2.79Å; A376-T378 PolarHBondContact O-N 2.75Å; A376-R379 WeakPolarHBondContact O-CB 3.33Å; A376-R379 PolarHBondContact O-N 2.88Å; A376-R379 VanDerWaalsContact O-N 3.14Å; A376-V380 WeakPolarHBondContact O-CG2 3.45Å; A376-V380 PolarHBondContact O-N 2.98Å
377R92.3Very high88.1Confident58 Ų5849 Ų4922%0.21927%0.273CS..Hα-helixtrans-56.7-51.9179-167.5176159.682.63.7112.8D375 R379 V380 L381 L393 Q396 E402D375-R377 PolarHBondContact O-N 3Å; R377-R379 VanDerWaalsContact C-N 3.29Å; R377-R379 PolarHBondContact O-N 3.36Å; R377-V380 PolarHBondContact O-N 3.49Å; R377-L381 WeakPolarHBondContact O-CG 3.23Å; R377-L381 PolarHBondContact O-N 3.15Å; R377-L393 HydrophobicContact CG-CD2 3.77Å; R377-L393 PolarHBondContact NH1-O 2.86Å; R377-Q396 PolarHBondContact NH2-O 2.93Å; R377-E402 WeakPolarHBondContact CD-OE1 3.27Å; R377-E402 WeakPolarHBondContact CG-OE1 3.46Å; R377-E402 IonicContact NE-OE1 2.76Å; R377-E402 PolarHBondContact NE-OE1 3.47Å; R377-E402 IonicContact NE-OE2 2.59Å
378T91.9Very high88.2Confident12 Ų1247.2 Ų47.27%0.07425%0.254CS..Hα-helixtrans-66.5-30.5177.562.10000112.6D375 A376 L381 E382 E402 T405 V406 R409D375-T378 WeakPolarHBondContact CB-OG1 3.38Å; D375-T378 PolarHBondContact O-N 2.8Å; D375-T378 VanDerWaalsContact O-N 3.15Å; D375-T378 PolarHBondContact O-OG1 2.78Å; A376-T378 PolarHBondContact O-N 2.75Å; T378-L381 PolarHBondContact O-N 3.48Å; T378-E382 WeakPolarHBondContact O-CB 3.37Å; T378-E382 PolarHBondContact O-N 2.9Å; T378-E402 HydrophobicContact CG2-CB 3.85Å; T378-E402 HydrophobicContact CG2-CG 3.7Å; T378-T405 HydrophobicContact CG2-CG2 4.4Å; T378-V406 WeakPolarHBondContact O-CG2 3.21Å; T378-R409 PolarHBondContact OG1-NH1 2.89Å; T378-R409 PolarHBondContact OG1-NH2 2.93Å
379R89.7Confident88.2Confident104 Ų10449.6 Ų49.639%0.39228%0.275SS..Hα-helixtrans-70.7-32.8174.9-68.4-178-177.8-166.71.3112.5L348 V374 D375 A376 R377L348-R379 HydrophobicContact CD1-CB 3.55Å; L348-R379 HydrophobicContact CD1-CG 4.04Å; L348-R379 HydrophobicContact CD2-CB 3.68Å; L348-R379 HydrophobicContact CG-CB 4.27Å; V374-R379 PolarHBondContact O-NE 3.14Å; D375-R379 WeakPolarHBondContact O-CG 3.5Å; D375-R379 PolarHBondContact O-N 3.19Å; A376-R379 WeakPolarHBondContact O-CB 3.33Å; A376-R379 PolarHBondContact O-N 2.88Å; A376-R379 VanDerWaalsContact O-N 3.14Å; R377-R379 VanDerWaalsContact C-N 3.29Å; R377-R379 PolarHBondContact O-N 3.36Å
380V92.4Very high88.6Confident4 Ų453.6 Ų53.62%0.02429%0.286CS..Hα-helixtrans-68.8-45.3171.3173.90000109.8L348 V351 L363 L365 V370 A376 R377 E382 A383 F384 L393L348-V380 HydrophobicContact CD2-CG2 3.67Å; V351-V380 HydrophobicContact CG1-CG1 4.11Å; L363-V380 HydrophobicContact CD2-CG1 4.27Å; L365-V380 HydrophobicContact CD1-CG2 4.3Å; L365-V380 HydrophobicContact CD2-CG1 4.17Å; V370-V380 HydrophobicContact CG2-CG2 4.38Å; A376-V380 WeakPolarHBondContact O-CG2 3.45Å; A376-V380 PolarHBondContact O-N 2.98Å; R377-V380 PolarHBondContact O-N 3.49Å; V380-E382 VanDerWaalsContact C-N 3.28Å; V380-E382 PolarHBondContact O-N 2.99Å; V380-A383 WeakPolarHBondContact O-CB 3.48Å; V380-A383 PolarHBondContact O-N 3.19Å; V380-F384 HydrophobicContact CG1-CE2 4.43Å; V380-L393 HydrophobicContact CB-CD2 4.09Å; V380-L393 HydrophobicContact CG1-CD1 3.88Å; V380-L393 HydrophobicContact CG1-CD2 3.91Å
381L94.5Very high89.1Confident0 Ų053.2 Ų53.20%028%0.284CS..Hα-helixtrans-60-36.9175.6-69.2171.7000112.6R377 T378 A383 F384 A388 L393 P398 E402 V406R377-L381 WeakPolarHBondContact O-CG 3.23Å; R377-L381 PolarHBondContact O-N 3.15Å; T378-L381 PolarHBondContact O-N 3.48Å; L381-A383 PolarHBondContact O-N 3Å; L381-A383 VanDerWaalsContact O-N 3.16Å; L381-F384 WeakPolarHBondContact O-CB 3.37Å; L381-F384 PolarHBondContact O-N 3.23Å; L381-A388 HydrophobicContact CB-CB 4.32Å; L381-L393 HydrophobicContact CD2-CB 4.41Å; L381-L393 HydrophobicContact CD2-CD2 4.2Å; L381-L393 HydrophobicContact CG-CD2 4.13Å; L381-P398 HydrophobicContact CD1-CB 3.96Å; L381-P398 HydrophobicContact CD1-CG 4.1Å; L381-P398 HydrophobicContact CD2-CG 3.78Å; L381-E402 HydrophobicContact CD1-CB 4.17Å; L381-V406 HydrophobicContact CB-CG2 3.84Å
382E90.9Very high90Very high28 Ų2851.6 Ų51.613%0.13128%0.279CS..Hα-helixtrans-56.4-30.4175.1-172-173.4163.800112.9W352 T378 V380 F384 G385 R409 L410W352-E382 HydrophobicContact CH2-CG 4.12Å; T378-E382 WeakPolarHBondContact O-CB 3.37Å; T378-E382 PolarHBondContact O-N 2.9Å; V380-E382 VanDerWaalsContact C-N 3.28Å; V380-E382 PolarHBondContact O-N 2.99Å; E382-F384 PolarHBondContact O-N 2.95Å; E382-G385 PolarHBondContact O-N 3.04Å; E382-G385 VanDerWaalsContact O-N 3.1Å; E382-R409 HydrophobicContact CG-CB 4.36Å; E382-R409 WeakPolarHBondContact OE2-CD 3.39Å; E382-R409 IonicContact OE2-NH1 3.41Å; E382-L410 HydrophobicContact CG-CD2 4.31Å
383A89.9Confident90.8Very high10 Ų1044.8 Ų44.88%0.08324%0.243CC..THydrogen-bonded Turntrans-60.4-31176.300000112.5W352 G355 V380 L381 G385W352-A383 HydrophobicContact CD2-CB 4.09Å; W352-A383 HydrophobicContact CE3-CB 3.96Å; W352-A383 HydrophobicContact CG-CB 4.42Å; W352-A383 HydrophobicContact CZ3-CB 4.41Å; G355-A383 VanDerWaalsContact CA-O 3.23Å; G355-A383 WeakPolarHBondContact CA-O 3.5Å; V380-A383 WeakPolarHBondContact O-CB 3.48Å; V380-A383 PolarHBondContact O-N 3.19Å; L381-A383 PolarHBondContact O-N 3Å; L381-A383 VanDerWaalsContact O-N 3.16Å; A383-G385 VanDerWaalsContact C-N 3.31Å
384F93.3Very high91.7Very high7 Ų745.1 Ų45.13%0.03124%0.235CC..THydrogen-bonded Turntrans-83.3-5.1179.8-64.5-81.1000113.8L354 L360 L363 V380 L381 E382 E386 R387 V391L354-F384 HydrophobicContact CB-CE1 4.2Å; L354-F384 HydrophobicContact CB-CZ 4.07Å; L360-F384 HydrophobicContact CD2-CE1 3.81Å; L360-F384 HydrophobicContact CD2-CZ 3.95Å; L363-F384 HydrophobicContact CD2-CE2 4.15Å; L363-F384 HydrophobicContact CD2-CZ 3.99Å; V380-F384 HydrophobicContact CG1-CE2 4.43Å; L381-F384 WeakPolarHBondContact O-CB 3.37Å; L381-F384 PolarHBondContact O-N 3.23Å; E382-F384 PolarHBondContact O-N 2.95Å; F384-E386 PolarHBondContact O-N 3.04Å; F384-R387 PolarHBondContact O-N 2.87Å; F384-R387 VanDerWaalsContact O-N 3.14Å; F384-V391 HydrophobicContact CB-CG2 4.3Å; F384-V391 HydrophobicContact CD1-CG2 3.69Å; F384-V391 HydrophobicContact CD2-CG1 4.35Å; F384-V391 HydrophobicContact CD2-CG2 4.34Å; F384-V391 HydrophobicContact CE1-CG1 4.39Å; F384-V391 HydrophobicContact CE1-CG2 4.05Å; F384-V391 HydrophobicContact CE2-CG1 4.06Å; F384-V391 HydrophobicContact CG-CB 4.48Å; F384-V391 HydrophobicContact CG-CG2 3.84Å; F384-V391 HydrophobicContact CZ-CG1 4.08Å
385G90.8Very high92.5Very high15 Ų1542.5 Ų42.516%0.15523%0.231CC..G310 helixtrans60-132.3175.900000112.6E382 A383 R387 A388E382-G385 PolarHBondContact O-N 3.04Å; E382-G385 VanDerWaalsContact O-N 3.1Å; A383-G385 VanDerWaalsContact C-N 3.31Å; G385-R387 PolarHBondContact O-N 2.9Å; G385-A388 WeakPolarHBondContact O-CB 2.99Å; G385-A388 PolarHBondContact O-N 3.15Å; G385-A388 VanDerWaalsContact O-N 3.15Å
386E90.2Very high93.1Very high190 Ų19044.3 Ų44.389%0.88824%0.236SC*.G310 helixtrans-62.7-22.2179.4-65178.7-179.900112.8F384 A388F384-E386 PolarHBondContact O-N 3.04Å; E386-A388 VanDerWaalsContact C-N 3.27Å; E386-A388 PolarHBondContact O-N 3.35Å
387R94.2Very high93.5Very high48 Ų4849.7 Ų49.718%0.18126%0.262CS..G310 helixtrans-855.7178.5-66.6-178.954.8-119.3-9.1113.8L357 P358 L360 F384 G385 A389 E390L357-R387 PolarHBondContact O-NH1 3.14Å; P358-R387 VanDerWaalsContact O-CZ 3.23Å; P358-R387 PolarHBondContact O-NH2 3Å; L360-R387 PolarHBondContact O-NH2 2.96Å; L360-R387 VanDerWaalsContact O-NH2 3.1Å; F384-R387 PolarHBondContact O-N 2.87Å; F384-R387 VanDerWaalsContact O-N 3.14Å; G385-R387 PolarHBondContact O-N 2.9Å; R387-A389 PolarHBondContact O-N 3.48Å; R387-A389 VanDerWaalsContact O-N 3.11Å; R387-E390 IonicContact CZ-OE2 2.84Å; R387-E390 IonicContact NE-OE2 3.54Å; R387-E390 PolarHBondContact NE-OE2 3.29Å; R387-E390 IonicContact NH2-OE2 3.1Å; R387-E390 PolarHBondContact NH2-OE2 3.47Å; R387-E390 WeakPolarHBondContact O-CB 3.48Å; R387-E390 PolarHBondContact O-N 2.91Å
388A94.4Very high93.7Very high3 Ų347.5 Ų47.53%0.02526%0.256CS..G310 helixtrans-51.4-38.6-179.400000112.6L381 G385 E386 E390 V391 P398 L403 V406L381-A388 HydrophobicContact CB-CB 4.32Å; G385-A388 WeakPolarHBondContact O-CB 2.99Å; G385-A388 PolarHBondContact O-N 3.15Å; G385-A388 VanDerWaalsContact O-N 3.15Å; E386-A388 VanDerWaalsContact C-N 3.27Å; E386-A388 PolarHBondContact O-N 3.35Å; A388-E390 VanDerWaalsContact C-N 3.26Å; A388-E390 PolarHBondContact O-N 3.01Å; A388-V391 PolarHBondContact O-N 3.09Å; A388-P398 WeakPolarHBondContact O-CG 3.41Å; A388-L403 HydrophobicContact CB-CD2 3.94Å; A388-V406 HydrophobicContact CB-CG1 4.07Å
389A95Very high93.9Very high57 Ų5750.6 Ų50.647%0.47128%0.275SS..G310 helixtrans-66.9-19.917900000114.8R387 L403R387-A389 PolarHBondContact O-N 3.48Å; R387-A389 VanDerWaalsContact O-N 3.11Å; A389-L403 HydrophobicContact CB-CD1 3.86Å; A389-L403 HydrophobicContact CB-CD2 3.9Å
390E94.6Very high94.2Very high112 Ų11251.7 Ų51.752%0.52328%0.284SS..G310 helixtrans-85.4-12.5-179.6-59.9172.1-167.500112.8R387 A388R387-E390 IonicContact CZ-OE2 2.84Å; R387-E390 IonicContact NE-OE2 3.54Å; R387-E390 PolarHBondContact NE-OE2 3.29Å; R387-E390 IonicContact NH2-OE2 3.1Å; R387-E390 PolarHBondContact NH2-OE2 3.47Å; R387-E390 WeakPolarHBondContact O-CB 3.48Å; R387-E390 PolarHBondContact O-N 2.91Å; A388-E390 VanDerWaalsContact C-N 3.26Å; A388-E390 PolarHBondContact O-N 3.01Å
391V95.9Very high94.3Very high0 Ų061.4 Ų61.40%032%0.32CS..  trans-104.2113.2-170.1-177.70000110.6K361 L363 F384 A388 P398K361-V391 CarbonylContact O-C 3.46Å; K361-V391 WeakPolarHBondContact O-CA 3.48Å; L363-V391 HydrophobicContact CB-CG1 4.5Å; F384-V391 HydrophobicContact CB-CG2 4.3Å; F384-V391 HydrophobicContact CD1-CG2 3.69Å; F384-V391 HydrophobicContact CD2-CG1 4.35Å; F384-V391 HydrophobicContact CD2-CG2 4.34Å; F384-V391 HydrophobicContact CE1-CG1 4.39Å; F384-V391 HydrophobicContact CE1-CG2 4.05Å; F384-V391 HydrophobicContact CE2-CG1 4.06Å; F384-V391 HydrophobicContact CG-CB 4.48Å; F384-V391 HydrophobicContact CG-CG2 3.84Å; F384-V391 HydrophobicContact CZ-CG1 4.08Å; A388-V391 PolarHBondContact O-N 3.09Å; V391-P398 VanDerWaalsContact O-CD 3.3Å; V391-P398 WeakPolarHBondContact O-CD 3.37Å; V391-P398 WeakPolarHBondContact O-CG 3.38Å
392T97.3Very high94.3Very high39 Ų3962.7 Ų62.724%0.23933%0.326CS..EExtended strand (participates in β ladder)trans-75.6124.2167.2-600000108.9K361 E362 L363K361-T392 PolarHBondContact O-N 3.1Å; E362-T392 WeakPolarHBondContact CA-O 3.27Å; L363-T392 PolarHBondContact N-O 3.33Å
393L95.7Very high94.5Very high2 Ų263.1 Ų63.11%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-115.9119.8-175.8-166.869.4000109.2L363 L365 R377 V380 L381 G395 Q396L363-L393 HydrophobicContact CB-CD1 3.91Å; L363-L393 HydrophobicContact CD2-CD1 3.75Å; L363-L393 HydrophobicContact CG-CD1 3.89Å; L363-L393 CarbonylContact O-C 3.6Å; L363-L393 WeakPolarHBondContact O-CA 3.23Å; L365-L393 HydrophobicContact CD2-CD1 3.21Å; L365-L393 HydrophobicContact CD2-CD2 4.44Å; L365-L393 HydrophobicContact CD2-CG 3.92Å; R377-L393 HydrophobicContact CG-CD2 3.77Å; R377-L393 PolarHBondContact NH1-O 2.86Å; V380-L393 HydrophobicContact CB-CD2 4.09Å; V380-L393 HydrophobicContact CG1-CD1 3.88Å; V380-L393 HydrophobicContact CG1-CD2 3.91Å; L381-L393 HydrophobicContact CD2-CB 4.41Å; L381-L393 HydrophobicContact CD2-CD2 4.2Å; L381-L393 HydrophobicContact CG-CD2 4.13Å; L393-G395 VanDerWaalsContact C-N 3.26Å; L393-G395 PolarHBondContact O-N 3.41Å; L393-Q396 PolarHBondContact N-O 3.5Å; L393-Q396 PolarHBondContact O-N 3.43Å; L393-Q396 VanDerWaalsContact O-O 3.11Å
394D95Very high94.8Very high47 Ų4766.9 Ų66.925%0.25135%0.348SS..THydrogen-bonded Turntrans51.743.8-177.3-58.3-63.7000113L363 V364 L365 S366 Q396L363-D394 PolarHBondContact O-N 3.23Å; V364-D394 WeakPolarHBondContact CA-OD1 3.29Å; V364-D394 WeakPolarHBondContact CG1-OD1 3.23Å; L365-D394 PolarHBondContact N-OD1 3.44Å; S366-D394 PolarHBondContact N-OD1 2.88Å; D394-Q396 PolarHBondContact O-N 3.41Å
395G94.5Very high94.8Very high56 Ų5668.8 Ų68.858%0.57736%0.36SS*.THydrogen-bonded Turntrans744-178.900000115L393L393-G395 VanDerWaalsContact C-N 3.26Å; L393-G395 PolarHBondContact O-N 3.41Å
396Q95.7Very high95Very high128 Ų12868.2 Ų68.260%0.59835%0.354SS*.BIsolated β-bridgetrans-118.2131.7-179.9-63-169.4-0.900112.4R377 L393 D394R377-Q396 PolarHBondContact NH2-O 2.93Å; L393-Q396 PolarHBondContact N-O 3.5Å; L393-Q396 PolarHBondContact O-N 3.43Å; L393-Q396 VanDerWaalsContact O-O 3.11Å; D394-Q396 PolarHBondContact O-N 3.41Å
397I95.5Very high95.1Very high124 Ų12461 Ų6164%0.63633%0.33SS*.PPolyproline II helixtrans-69.6144172.9-56.2173.2000109T399I397-T399 PolarHBondContact O-N 3.32Å
398P95.9Very high95.1Very high12 Ų1263 Ų638%0.07835%0.348CS..PPolyproline II helixtrans-59.3134.4174.5-23.534.1000112L381 A388 V391 L403L381-P398 HydrophobicContact CD1-CB 3.96Å; L381-P398 HydrophobicContact CD1-CG 4.1Å; L381-P398 HydrophobicContact CD2-CG 3.78Å; A388-P398 WeakPolarHBondContact O-CG 3.41Å; V391-P398 VanDerWaalsContact O-CD 3.3Å; V391-P398 WeakPolarHBondContact O-CD 3.37Å; V391-P398 WeakPolarHBondContact O-CG 3.38Å; P398-L403 HydrophobicContact CB-CD1 4.45Å; P398-L403 HydrophobicContact CB-CD2 3.76Å; P398-L403 HydrophobicContact CB-CG 3.96Å; P398-L403 HydrophobicContact CG-CD2 4.4Å
399T96.2Very high94.8Very high77 Ų7765.1 Ų65.147%0.47236%0.355SS..PPolyproline II helixtrans-76.5156171.663.80000110.8I397 R401 E402 L403I397-T399 PolarHBondContact O-N 3.32Å; T399-R401 PolarHBondContact O-N 2.87Å; T399-E402 PolarHBondContact N-OE2 2.83Å; T399-E402 WeakPolarHBondContact O-CB 3.49Å; T399-E402 PolarHBondContact O-N 3.3Å; T399-E402 VanDerWaalsContact OG1-CG 3.24Å; T399-E402 WeakPolarHBondContact OG1-CG 3.16Å; T399-E402 PolarHBondContact OG1-N 3.12Å; T399-E402 PolarHBondContact OG1-OE2 2.85Å; T399-L403 PolarHBondContact O-N 3.48Å; T399-L403 VanDerWaalsContact O-N 3.08Å
400Q95.4Very high94.5Very high127 Ų12763.9 Ų63.959%0.59334%0.34SS*.Hα-helixtrans-55.4-39.9178.4-171.859.145.100112.3E402 L403 D404Q400-E402 VanDerWaalsContact C-N 3.31Å; Q400-E402 PolarHBondContact O-N 3.08Å; Q400-L403 WeakPolarHBondContact O-CB 3.1Å; Q400-L403 PolarHBondContact O-N 3.23Å; Q400-L403 VanDerWaalsContact O-N 3.15Å; Q400-D404 PolarHBondContact NE2-OD1 3.27Å; Q400-D404 PolarHBondContact O-N 3.42Å
401R94.8Very high94.3Very high208 Ų20861.4 Ų61.479%0.78534%0.339SS*.Hα-helixtrans-61.1-38.3177.7-173.9179.5-180179.30.8112.7T399 T405T399-R401 PolarHBondContact O-N 2.87Å; R401-T405 WeakPolarHBondContact O-CB 3.27Å; R401-T405 PolarHBondContact O-N 3.27Å; R401-T405 VanDerWaalsContact O-N 3.1Å; R401-T405 PolarHBondContact O-OG1 2.95Å
402E95.3Very high93.8Very high26 Ų2665.5 Ų65.512%0.12136%0.36CS..Hα-helixtrans-67.8-42.7175.7-69.5173.1119.700110.8R377 T378 L381 T399 Q400 T405 V406R377-E402 WeakPolarHBondContact CD-OE1 3.27Å; R377-E402 WeakPolarHBondContact CG-OE1 3.46Å; R377-E402 IonicContact NE-OE1 2.76Å; R377-E402 PolarHBondContact NE-OE1 3.47Å; R377-E402 IonicContact NE-OE2 2.59Å; T378-E402 HydrophobicContact CG2-CB 3.85Å; T378-E402 HydrophobicContact CG2-CG 3.7Å; L381-E402 HydrophobicContact CD1-CB 4.17Å; T399-E402 PolarHBondContact N-OE2 2.83Å; T399-E402 WeakPolarHBondContact O-CB 3.49Å; T399-E402 PolarHBondContact O-N 3.3Å; T399-E402 VanDerWaalsContact OG1-CG 3.24Å; T399-E402 WeakPolarHBondContact OG1-CG 3.16Å; T399-E402 PolarHBondContact OG1-N 3.12Å; T399-E402 PolarHBondContact OG1-OE2 2.85Å; Q400-E402 VanDerWaalsContact C-N 3.31Å; Q400-E402 PolarHBondContact O-N 3.08Å; E402-T405 WeakPolarHBondContact O-CB 3.2Å; E402-T405 PolarHBondContact O-N 3.38Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.43Å
403L95.7Very high93.1Very high38 Ų3867.9 Ų67.920%0.19936%0.364CS..Hα-helixtrans-63.2-42.7177.2-65175.8000112.1A388 A389 P398 T399 Q400 T405 V406 G407A388-L403 HydrophobicContact CB-CD2 3.94Å; A389-L403 HydrophobicContact CB-CD1 3.86Å; A389-L403 HydrophobicContact CB-CD2 3.9Å; P398-L403 HydrophobicContact CB-CD1 4.45Å; P398-L403 HydrophobicContact CB-CD2 3.76Å; P398-L403 HydrophobicContact CB-CG 3.96Å; P398-L403 HydrophobicContact CG-CD2 4.4Å; T399-L403 PolarHBondContact O-N 3.48Å; T399-L403 VanDerWaalsContact O-N 3.08Å; Q400-L403 WeakPolarHBondContact O-CB 3.1Å; Q400-L403 PolarHBondContact O-N 3.23Å; Q400-L403 VanDerWaalsContact O-N 3.15Å; L403-T405 VanDerWaalsContact C-N 3.3Å; L403-T405 PolarHBondContact O-N 3.21Å; L403-V406 PolarHBondContact O-N 2.99Å; L403-G407 PolarHBondContact O-N 2.98Å
404D94.8Very high92.5Very high89 Ų8974.9 Ų74.948%0.47640%0.395SS..Hα-helixtrans-61.1-43175.2-62.1-22.6000110.6Q400 V406 G407 V408Q400-D404 PolarHBondContact NE2-OD1 3.27Å; Q400-D404 PolarHBondContact O-N 3.42Å; D404-V406 PolarHBondContact O-N 3.38Å; D404-G407 PolarHBondContact O-N 2.68Å; D404-V408 WeakPolarHBondContact O-CG2 3.15Å; D404-V408 PolarHBondContact O-N 3.27Å
405T94.2Very high91.9Very high46 Ų4675.4 Ų75.428%0.28241%0.406SS..Hα-helixtrans-61.9-43.7176.2-57.40000111.4T378 R401 E402 L403 V408 R409T378-T405 HydrophobicContact CG2-CG2 4.4Å; R401-T405 WeakPolarHBondContact O-CB 3.27Å; R401-T405 PolarHBondContact O-N 3.27Å; R401-T405 VanDerWaalsContact O-N 3.1Å; R401-T405 PolarHBondContact O-OG1 2.95Å; E402-T405 WeakPolarHBondContact O-CB 3.2Å; E402-T405 PolarHBondContact O-N 3.38Å; L403-T405 VanDerWaalsContact C-N 3.3Å; L403-T405 PolarHBondContact O-N 3.21Å; T405-V408 PolarHBondContact O-N 3.44Å; T405-R409 WeakPolarHBondContact O-CG 3.26Å; T405-R409 PolarHBondContact O-N 3Å
406V94Very high91Very high4 Ų479.6 Ų79.62%0.02441%0.408CS..Hα-helixtrans-62.4-451751690000110.6T378 L381 A388 E402 L403 D404 V408 R409 L410T378-V406 WeakPolarHBondContact O-CG2 3.21Å; L381-V406 HydrophobicContact CB-CG2 3.84Å; A388-V406 HydrophobicContact CB-CG1 4.07Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.43Å; L403-V406 PolarHBondContact O-N 2.99Å; D404-V406 PolarHBondContact O-N 3.38Å; V406-V408 PolarHBondContact O-N 3.06Å; V406-R409 PolarHBondContact O-N 3.5Å; V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 HydrophobicContact CG1-CG 4.17Å; V406-L410 WeakPolarHBondContact O-CB 3.3Å; V406-L410 VanDerWaalsContact O-CG 3.3Å; V406-L410 WeakPolarHBondContact O-CG 3.41Å; V406-L410 PolarHBondContact O-N 2.76Å
407G93.4Very high90.2Very high38 Ų3877.6 Ų77.639%0.39240%0.399SS..Hα-helixtrans-57.4-47.3177.300000112.6L403 D404 R409 L410 A411L403-G407 PolarHBondContact O-N 2.98Å; D404-G407 PolarHBondContact O-N 2.68Å; G407-R409 PolarHBondContact O-N 3.19Å; G407-L410 PolarHBondContact O-N 2.98Å; G407-A411 PolarHBondContact O-N 2.98Å
408V93.6Very high89.4Confident90 Ų9077 Ų7755%0.54539%0.393SS..Hα-helixtrans-60.7-44.8175.3172.60000111.2D404 T405 V406 L410 A411 I412D404-V408 WeakPolarHBondContact O-CG2 3.15Å; D404-V408 PolarHBondContact O-N 3.27Å; T405-V408 PolarHBondContact O-N 3.44Å; V406-V408 PolarHBondContact O-N 3.06Å; V408-L410 PolarHBondContact O-N 2.86Å; V408-A411 PolarHBondContact O-N 3.27Å; V408-I412 HydrophobicContact CG1-CD1 3.83Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 VanDerWaalsContact O-CG1 3.3Å; V408-I412 WeakPolarHBondContact O-CG1 3.38Å; V408-I412 PolarHBondContact O-N 3.43Å
409R89.2Confident88.6Confident48 Ų4885.8 Ų85.818%0.18143%0.425CS..Hα-helixtrans-63.7-41.6178.3-73.5-175.7-176.4163.42.3112.3D375 T378 E382 T405 V406 G407 I412 R413D375-R409 VanDerWaalsContact CB-NH2 3.32Å; D375-R409 IonicContact OD2-NH2 3.38Å; D375-R409 PolarHBondContact OD2-NH2 2.86Å; T378-R409 PolarHBondContact OG1-NH1 2.89Å; T378-R409 PolarHBondContact OG1-NH2 2.93Å; E382-R409 HydrophobicContact CG-CB 4.36Å; E382-R409 WeakPolarHBondContact OE2-CD 3.39Å; E382-R409 IonicContact OE2-NH1 3.41Å; T405-R409 WeakPolarHBondContact O-CG 3.26Å; T405-R409 PolarHBondContact O-N 3Å; V406-R409 PolarHBondContact O-N 3.5Å; G407-R409 PolarHBondContact O-N 3.19Å; R409-I412 PolarHBondContact O-N 2.99Å; R409-R413 WeakPolarHBondContact O-CB 3.35Å; R409-R413 PolarHBondContact O-N 3.32Å
410L88.4Confident87.4Confident31 Ų3188.9 Ų88.916%0.16243%0.432CS..Hα-helixtrans-62.9-42.2176-70.7171.5000111.7E382 V406 G407 V408 R413 K414E382-L410 HydrophobicContact CG-CD2 4.31Å; V406-L410 HydrophobicContact CG1-CD1 3.75Å; V406-L410 HydrophobicContact CG1-CG 4.17Å; V406-L410 WeakPolarHBondContact O-CB 3.3Å; V406-L410 VanDerWaalsContact O-CG 3.3Å; V406-L410 WeakPolarHBondContact O-CG 3.41Å; V406-L410 PolarHBondContact O-N 2.76Å; G407-L410 PolarHBondContact O-N 2.98Å; V408-L410 PolarHBondContact O-N 2.86Å; L410-R413 PolarHBondContact O-N 3.3Å; L410-K414 WeakPolarHBondContact O-CB 3.27Å; L410-K414 PolarHBondContact O-N 2.87Å
411A89.5Confident86.5Confident60 Ų6089.2 Ų89.250%0.49643%0.428SS..Hα-helixtrans-62-46.2175.400000111.8G407 V408 R413 K414 A415G407-A411 PolarHBondContact O-N 2.98Å; V408-A411 PolarHBondContact O-N 3.27Å; A411-R413 VanDerWaalsContact C-N 3.33Å; A411-R413 PolarHBondContact O-N 2.95Å; A411-K414 PolarHBondContact O-N 2.95Å; A411-A415 WeakPolarHBondContact O-CB 3.37Å; A411-A415 PolarHBondContact O-N 2.85Å
412I86.2Confident85.7Confident86 Ų8685 Ų8544%0.44142%0.417SS..Hα-helixtrans-60.9-43.1175.7-67.5166.9000110.8V408 R409 A415 K416V408-I412 HydrophobicContact CG1-CD1 3.83Å; V408-I412 HydrophobicContact CG1-CG1 4.49Å; V408-I412 VanDerWaalsContact O-CG1 3.3Å; V408-I412 WeakPolarHBondContact O-CG1 3.38Å; V408-I412 PolarHBondContact O-N 3.43Å; R409-I412 PolarHBondContact O-N 2.99Å; I412-A415 PolarHBondContact O-N 3.1Å; I412-K416 HydrophobicContact CG2-CD 4.24Å; I412-K416 WeakPolarHBondContact O-CB 3.43Å; I412-K416 WeakPolarHBondContact O-CG 3.18Å; I412-K416 PolarHBondContact O-N 2.76Å
413R82.9Confident84.5Confident88 Ų8889.2 Ų89.233%0.33244%0.44SS..Hα-helixtrans-62.9-46.5178.6-170.7173.869.8112.6-8.9111.1R409 L410 A411 K416 E417R409-R413 WeakPolarHBondContact O-CB 3.35Å; R409-R413 PolarHBondContact O-N 3.32Å; L410-R413 PolarHBondContact O-N 3.3Å; A411-R413 VanDerWaalsContact C-N 3.33Å; A411-R413 PolarHBondContact O-N 2.95Å; R413-K416 PolarHBondContact O-N 3.49Å; R413-E417 IonicContact NH1-OE1 3.76Å; R413-E417 WeakPolarHBondContact O-CG 3.39Å; R413-E417 PolarHBondContact O-N 3.29Å
414K83Confident83.3Confident149 Ų14990.4 Ų90.465%0.64845%0.445SS*.Hα-helixtrans-60.2-46.2176.9-168176-179.2179.20111.3L410 A411 K416 E417 E418L410-K414 WeakPolarHBondContact O-CB 3.27Å; L410-K414 PolarHBondContact O-N 2.87Å; A411-K414 PolarHBondContact O-N 2.95Å; K414-K416 PolarHBondContact O-N 3.31Å; K414-E417 PolarHBondContact O-N 3.06Å; K414-E418 WeakPolarHBondContact O-CB 3.22Å; K414-E418 PolarHBondContact O-N 2.94Å
415A81.4Confident82.4Confident58 Ų5888 Ų8848%0.47944%0.438SS..Hα-helixtrans-62.3-40.2176.400000112.6A411 I412 E418 R419A411-A415 WeakPolarHBondContact O-CB 3.37Å; A411-A415 PolarHBondContact O-N 2.85Å; I412-A415 PolarHBondContact O-N 3.1Å; A415-E418 PolarHBondContact O-N 3.27Å; A415-R419 WeakPolarHBondContact O-CB 3.32Å; A415-R419 PolarHBondContact O-N 2.95Å
416K76.5Confident81.6Confident145 Ų14590.2 Ų90.263%0.6345%0.447SS*.Hα-helixtrans-64.7-44174.5-79-180179.8178.10112.1I412 R413 K414 E418 R419 K420I412-K416 HydrophobicContact CG2-CD 4.24Å; I412-K416 WeakPolarHBondContact O-CB 3.43Å; I412-K416 WeakPolarHBondContact O-CG 3.18Å; I412-K416 PolarHBondContact O-N 2.76Å; R413-K416 PolarHBondContact O-N 3.49Å; K414-K416 PolarHBondContact O-N 3.31Å; K416-E418 VanDerWaalsContact C-N 3.33Å; K416-R419 PolarHBondContact O-N 3.16Å; K416-K420 WeakPolarHBondContact O-CB 3.31Å; K416-K420 PolarHBondContact O-N 2.74Å
417E77.6Confident80.5Confident86 Ų8693.5 Ų93.540%0.40247%0.468SS..Hα-helixtrans-62.8-41176.8-75.5178.1-172.900111.2R413 K414 K420 R421R413-E417 IonicContact NH1-OE1 3.76Å; R413-E417 WeakPolarHBondContact O-CG 3.39Å; R413-E417 PolarHBondContact O-N 3.29Å; K414-E417 PolarHBondContact O-N 3.06Å; E417-K420 PolarHBondContact O-N 2.84Å; E417-R421 WeakPolarHBondContact O-CB 3.18Å; E417-R421 VanDerWaalsContact O-CG 3.27Å; E417-R421 WeakPolarHBondContact O-CG 3.2Å; E417-R421 PolarHBondContact O-N 3.23Å
418E79.2Confident79.8Confident110 Ų11095 Ų9551%0.51446%0.464SS..Hα-helixtrans-66.5-44.5177.2-167.5162.2-160.100112.5K414 A415 K416 K420 R421 Q422K414-E418 WeakPolarHBondContact O-CB 3.22Å; K414-E418 PolarHBondContact O-N 2.94Å; A415-E418 PolarHBondContact O-N 3.27Å; K416-E418 VanDerWaalsContact C-N 3.33Å; E418-K420 VanDerWaalsContact C-N 3.32Å; E418-K420 PolarHBondContact O-N 2.75Å; E418-R421 CarbonylContact O-C 3.57Å; E418-R421 WeakPolarHBondContact O-CA 3.13Å; E418-R421 VanDerWaalsContact O-CB 3.32Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.36Å; E418-R421 VanDerWaalsContact O-N 3.1Å; E418-Q422 WeakPolarHBondContact O-CG 3.48Å; E418-Q422 PolarHBondContact O-N 2.68Å
419R79.1Confident79Confident197 Ų19796.5 Ų96.574%0.74347%0.466SS*.Hα-helixtrans-60.7-41.1173-169.5175.3-177.3177.21.1111.9A415 K416 R421 Q422 L423A415-R419 WeakPolarHBondContact O-CB 3.32Å; A415-R419 PolarHBondContact O-N 2.95Å; K416-R419 PolarHBondContact O-N 3.16Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R419-Q422 PolarHBondContact O-N 3.01Å; R419-L423 WeakPolarHBondContact O-CB 3.36Å; R419-L423 PolarHBondContact O-N 2.79Å
420K71.7Confident78.2Confident143 Ų14399.1 Ų99.162%0.62248%0.482SS*.Hα-helixtrans-62.4-41.7173.8-176.1179179.9-179.40111.2K416 E417 E418 Q422 L423 I424K416-K420 WeakPolarHBondContact O-CB 3.31Å; K416-K420 PolarHBondContact O-N 2.74Å; E417-K420 PolarHBondContact O-N 2.84Å; E418-K420 VanDerWaalsContact C-N 3.32Å; E418-K420 PolarHBondContact O-N 2.75Å; K420-Q422 VanDerWaalsContact C-N 3.35Å; K420-L423 PolarHBondContact O-N 2.84Å; K420-I424 HydrophobicContact CG-CD1 4.16Å; K420-I424 VanDerWaalsContact O-CG1 3.31Å; K420-I424 WeakPolarHBondContact O-CG1 3.41Å; K420-I424 PolarHBondContact O-N 2.69Å; K420-I424 VanDerWaalsContact O-N 3.09Å
421R76.9Confident77.3Confident134 Ų134102.1 Ų102.151%0.50650%0.499SS..Hα-helixtrans-62.2-39.2175.8-79.5-174.6-168.1-173.63.7112E417 E418 R419 A425 K665E417-R421 WeakPolarHBondContact O-CB 3.18Å; E417-R421 VanDerWaalsContact O-CG 3.27Å; E417-R421 WeakPolarHBondContact O-CG 3.2Å; E417-R421 PolarHBondContact O-N 3.23Å; E418-R421 CarbonylContact O-C 3.57Å; E418-R421 WeakPolarHBondContact O-CA 3.13Å; E418-R421 VanDerWaalsContact O-CB 3.32Å; E418-R421 WeakPolarHBondContact O-CB 3.37Å; E418-R421 PolarHBondContact O-N 3.36Å; E418-R421 VanDerWaalsContact O-N 3.1Å; R419-R421 VanDerWaalsContact C-N 3.34Å; R421-A425 PolarHBondContact O-N 3.02Å; R421-K665 HydrophobicContact CB-CD 4.43Å; R421-K665 VanDerWaalsContact CB-NZ 3.32Å; R421-K665 HydrophobicContact CG-CD 4.16Å; R421-K665 VanDerWaalsContact CG-CE 3.45Å; R421-K665 PolarHBondContact O-NZ 2.93Å
422Q76.4Confident76.7Confident120 Ų120104.6 Ų104.656%0.56150%0.504SS*.Hα-helixtrans-68.8-44.2176.1-71170.3-6.300111.7E418 R419 K420 I424 A425 L426E418-Q422 WeakPolarHBondContact O-CG 3.48Å; E418-Q422 PolarHBondContact O-N 2.68Å; R419-Q422 PolarHBondContact O-N 3.01Å; K420-Q422 VanDerWaalsContact C-N 3.35Å; Q422-I424 VanDerWaalsContact C-N 3.33Å; Q422-I424 PolarHBondContact O-N 3.25Å; Q422-A425 PolarHBondContact O-N 2.98Å; Q422-L426 PolarHBondContact O-N 2.72Å
423L71.2Confident76.3Confident114 Ų114107 Ų10760%0.59751%0.513SS*.Hα-helixtrans-60.3-42.1178.6-162.685.4000112.1R419 K420 L426 T427R419-L423 WeakPolarHBondContact O-CB 3.36Å; R419-L423 PolarHBondContact O-N 2.79Å; K420-L423 PolarHBondContact O-N 2.84Å; L423-L426 PolarHBondContact O-N 2.75Å; L423-T427 WeakPolarHBondContact O-CB 3.17Å; L423-T427 PolarHBondContact O-N 3.41Å; L423-T427 PolarHBondContact O-OG1 2.84Å
424I71Confident75.8Confident62 Ų62107.2 Ų107.232%0.31852%0.52SS..Hα-helixtrans-61.7-45.5176.2-68.9166.7000110.6K420 Q422 T427 E428K420-I424 HydrophobicContact CG-CD1 4.16Å; K420-I424 VanDerWaalsContact O-CG1 3.31Å; K420-I424 WeakPolarHBondContact O-CG1 3.41Å; K420-I424 PolarHBondContact O-N 2.69Å; K420-I424 VanDerWaalsContact O-N 3.09Å; Q422-I424 VanDerWaalsContact C-N 3.33Å; Q422-I424 PolarHBondContact O-N 3.25Å; I424-T427 PolarHBondContact O-N 2.85Å; I424-E428 WeakPolarHBondContact O-CG 3.24Å; I424-E428 PolarHBondContact O-N 2.85Å
425A75.5Confident75.3Confident38 Ų38101.9 Ų101.931%0.31451%0.507SS..Hα-helixtrans-64.3-41.4179.800000112.3R421 Q422 T427 E428 Q429R421-A425 PolarHBondContact O-N 3.02Å; Q422-A425 PolarHBondContact O-N 2.98Å; A425-T427 VanDerWaalsContact C-N 3.33Å; A425-T427 PolarHBondContact O-N 3.47Å; A425-E428 PolarHBondContact O-N 2.93Å; A425-Q429 PolarHBondContact O-N 2.58Å
426L76.9Confident75Confident93 Ų93104.5 Ų104.549%0.48751%0.513SS..Hα-helixtrans-63.5-40.1175.5-175.566.5000111.7Q422 L423 E428 Q429 L430Q422-L426 PolarHBondContact O-N 2.72Å; L423-L426 PolarHBondContact O-N 2.75Å; L426-E428 VanDerWaalsContact C-N 3.34Å; L426-Q429 PolarHBondContact O-N 2.76Å; L426-L430 HydrophobicContact CG-CD1 4.16Å; L426-L430 PolarHBondContact O-N 2.85Å
427T71.2Confident74.7Confident73 Ų7399.9 Ų99.945%0.44850%0.501SS..Hα-helixtrans-64.8-39.5177.6-52.20000111.4L423 I424 A425 L430 N431L423-T427 WeakPolarHBondContact O-CB 3.17Å; L423-T427 PolarHBondContact O-N 3.41Å; L423-T427 PolarHBondContact O-OG1 2.84Å; I424-T427 PolarHBondContact O-N 2.85Å; A425-T427 VanDerWaalsContact C-N 3.33Å; A425-T427 PolarHBondContact O-N 3.47Å; T427-L430 PolarHBondContact O-N 3.02Å; T427-N431 PolarHBondContact O-N 2.73Å; T427-N431 VanDerWaalsContact O-N 3.09Å
428E77.7Confident74.5Confident69 Ų69101.5 Ų101.532%0.32251%0.509SS..Hα-helixtrans-63.8-44.8175.1-74173165.900111I424 A425 L426 L430 N431 D432 R666I424-E428 WeakPolarHBondContact O-CG 3.24Å; I424-E428 PolarHBondContact O-N 2.85Å; A425-E428 PolarHBondContact O-N 2.93Å; L426-E428 VanDerWaalsContact C-N 3.34Å; E428-L430 PolarHBondContact O-N 3.07Å; E428-N431 PolarHBondContact O-N 2.88Å; E428-D432 PolarHBondContact O-N 3.1Å; E428-R666 IonicContact OE1-NE 3.7Å
429Q77.7Confident74.1Confident123 Ų12398.7 Ų98.758%0.57551%0.505SS*.Hα-helixtrans-60.6-41.8175.2-74.5-179.8-26.900113.6A425 L426 D432 Q433A425-Q429 PolarHBondContact O-N 2.58Å; L426-Q429 PolarHBondContact O-N 2.76Å; Q429-D432 PolarHBondContact O-N 3.06Å; Q429-Q433 WeakPolarHBondContact O-CG 3.38Å; Q429-Q433 PolarHBondContact O-N 3.42Å
430L72.7Confident73.9Confident102 Ų10296 Ų9653%0.53450%0.498SS..Hα-helixtrans-64.2-39.8176.9-99.4139.8000112L426 T427 E428 Q433 L434L426-L430 HydrophobicContact CG-CD1 4.16Å; L426-L430 PolarHBondContact O-N 2.85Å; T427-L430 PolarHBondContact O-N 3.02Å; E428-L430 PolarHBondContact O-N 3.07Å; L430-Q433 PolarHBondContact O-N 2.91Å; L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 PolarHBondContact O-N 3.29Å
431N69.7Low73.8Confident95 Ų9593.5 Ų93.551%0.50850%0.495SS..Hα-helixtrans-65.2-40.3175.8-81.9-11.2000112.1T427 E428 L434 G435T427-N431 PolarHBondContact O-N 2.73Å; T427-N431 VanDerWaalsContact O-N 3.09Å; E428-N431 PolarHBondContact O-N 2.88Å; N431-L434 PolarHBondContact O-N 3.3Å; N431-G435 PolarHBondContact O-N 3.4Å
432D77.2Confident73.3Confident111 Ų11189.8 Ų89.859%0.59449%0.493SS*.Hα-helixtrans-64-42.4176.4-68.1-19.2000111.3E428 Q429 G435 L436E428-D432 PolarHBondContact O-N 3.1Å; Q429-D432 PolarHBondContact O-N 3.06Å; D432-G435 PolarHBondContact O-N 3.02Å; D432-L436 WeakPolarHBondContact O-CD1 3.29Å; D432-L436 PolarHBondContact O-N 2.81Å
433Q76Confident72.8Confident136 Ų13690.5 Ų90.564%0.63650%0.496SS*.Hα-helixtrans-64.2-39.6175.2-74.3-173.4-6.100112.6Q429 L430 L436 A437Q429-Q433 WeakPolarHBondContact O-CG 3.38Å; Q429-Q433 PolarHBondContact O-N 3.42Å; L430-Q433 PolarHBondContact O-N 2.91Å; Q433-L436 PolarHBondContact O-N 3Å; Q433-A437 WeakPolarHBondContact O-CB 3.37Å; Q433-A437 PolarHBondContact O-N 3.24Å
434L72.8Confident72.3Confident94 Ų9492 Ų9249%0.49250%0.502SS..Hα-helixtrans-64.3-45.3176-173.366.3000110.9L430 N431 L436 A437 E438L430-L434 WeakPolarHBondContact O-CB 3.39Å; L430-L434 PolarHBondContact O-N 3.29Å; N431-L434 PolarHBondContact O-N 3.3Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 2.87Å; L434-A437 PolarHBondContact O-N 3.15Å; L434-A437 VanDerWaalsContact O-N 3.11Å; L434-E438 HydrophobicContact CG-CG 4.5Å; L434-E438 WeakPolarHBondContact O-CG 3.48Å; L434-E438 PolarHBondContact O-N 3.33Å
435G72.5Confident71.7Confident36 Ų3692 Ų9237%0.37151%0.507SS..Hα-helixtrans-60-39.4175.600000113N431 D432 A439N431-G435 PolarHBondContact O-N 3.4Å; D432-G435 PolarHBondContact O-N 3.02Å; G435-A439 WeakPolarHBondContact O-CB 3.25Å; G435-A439 PolarHBondContact O-N 3.14Å
436L74.7Confident70.7Confident114 Ų11494.6 Ų94.660%0.59752%0.519SS*.Hα-helixtrans-65.5-38.9173.2-84.4154.2000112.8D432 Q433 L434 K440D432-L436 WeakPolarHBondContact O-CD1 3.29Å; D432-L436 PolarHBondContact O-N 2.81Å; Q433-L436 PolarHBondContact O-N 3Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 2.87Å; L436-K440 WeakPolarHBondContact O-CG 3.46Å; L436-K440 PolarHBondContact O-N 3.22Å; L436-K440 VanDerWaalsContact O-N 3.11Å
437A71.1Confident69.5Low47 Ų4793.5 Ų93.539%0.38852%0.524SS..Hα-helixtrans-69.1-43.3177.200000111.7Q433 L434 A439 K440 V441Q433-A437 WeakPolarHBondContact O-CB 3.37Å; Q433-A437 PolarHBondContact O-N 3.24Å; L434-A437 PolarHBondContact O-N 3.15Å; L434-A437 VanDerWaalsContact O-N 3.11Å; A437-A439 PolarHBondContact O-N 2.78Å; A437-K440 WeakPolarHBondContact O-CB 3.27Å; A437-K440 PolarHBondContact O-N 3.06Å; A437-V441 WeakPolarHBondContact O-CG2 3.02Å; A437-V441 PolarHBondContact O-N 2.96Å
438E73.4Confident68.4Low121 Ų12192.3 Ų92.357%0.56553%0.526SS*.Hα-helixtrans-61.6-42175.4-72.3177.5167.900111.5L434 K440 V441 A442L434-E438 HydrophobicContact CG-CG 4.5Å; L434-E438 WeakPolarHBondContact O-CG 3.48Å; L434-E438 PolarHBondContact O-N 3.33Å; E438-K440 VanDerWaalsContact C-N 3.34Å; E438-K440 PolarHBondContact O-N 2.83Å; E438-V441 PolarHBondContact O-N 3.27Å; E438-A442 PolarHBondContact O-N 3.49Å
439A70.2Confident67Low51 Ų5195.7 Ų95.742%0.42154%0.541SS..Hα-helixtrans-62-39.2174.300000112.5G435 A437 Q443G435-A439 WeakPolarHBondContact O-CB 3.25Å; G435-A439 PolarHBondContact O-N 3.14Å; A437-A439 PolarHBondContact O-N 2.78Å; A439-Q443 WeakPolarHBondContact O-CG 3.48Å; A439-Q443 PolarHBondContact O-N 3.49Å; A439-Q443 VanDerWaalsContact O-N 3.11Å
440K74.9Confident65.4Low139 Ų139100.9 Ų100.960%0.60456%0.556SS**Hα-helixtrans-66.1-42.1174.6-78.9179.7177.8179.70112.2L436 A437 E438 Q443 M444L436-K440 WeakPolarHBondContact O-CG 3.46Å; L436-K440 PolarHBondContact O-N 3.22Å; L436-K440 VanDerWaalsContact O-N 3.11Å; A437-K440 WeakPolarHBondContact O-CB 3.27Å; A437-K440 PolarHBondContact O-N 3.06Å; E438-K440 VanDerWaalsContact C-N 3.34Å; E438-K440 PolarHBondContact O-N 2.83Å; K440-Q443 PolarHBondContact O-N 2.83Å; K440-M444 WeakPolarHBondContact O-CG 3.33Å; K440-M444 PolarHBondContact O-N 2.91Å
441V71Confident64Low92 Ų92107.3 Ų107.356%0.55857%0.573SS**Hα-helixtrans-62.9-43.7176.9172.60000110.6A437 E438 Q443 M444 S445A437-V441 WeakPolarHBondContact O-CG2 3.02Å; A437-V441 PolarHBondContact O-N 2.96Å; E438-V441 PolarHBondContact O-N 3.27Å; V441-Q443 VanDerWaalsContact C-N 3.32Å; V441-Q443 PolarHBondContact O-N 3.41Å; V441-M444 PolarHBondContact O-N 3.07Å; V441-M444 VanDerWaalsContact O-N 3.11Å; V441-S445 PolarHBondContact O-N 3.48Å; V441-S445 PolarHBondContact O-OG 3.07Å
442A65.7Low62.6Low55 Ų55111.4 Ų111.446%0.45559%0.586SS.*Hα-helixtrans-61.8-36.217600000113.2E438 T446E438-A442 PolarHBondContact O-N 3.49Å; A442-T446 PolarHBondContact O-N 3.07Å; A442-T446 PolarHBondContact O-OG1 3.39Å; A442-T446 VanDerWaalsContact O-OG1 3.11Å
443Q64.9Low60.5Low135 Ų135113.2 Ų113.263%0.63160%0.596SS**Hα-helixtrans-68.9-35.3173.2-74.2-178.73.500112.7A439 K440 V441 T446 A447A439-Q443 WeakPolarHBondContact O-CG 3.48Å; A439-Q443 PolarHBondContact O-N 3.49Å; A439-Q443 VanDerWaalsContact O-N 3.11Å; K440-Q443 PolarHBondContact O-N 2.83Å; V441-Q443 VanDerWaalsContact C-N 3.32Å; V441-Q443 PolarHBondContact O-N 3.41Å; Q443-T446 WeakPolarHBondContact CA-OG1 3.3Å; Q443-T446 PolarHBondContact O-OG1 3.49Å; Q443-A447 PolarHBondContact O-N 2.96Å
444M61.7Low58.2Low146 Ų146109.9 Ų109.972%0.71960%0.598SS**Hα-helixtrans-71.8-34.5176.1-68.7177.77800112.3K440 V441 A447 G448K440-M444 WeakPolarHBondContact O-CG 3.33Å; K440-M444 PolarHBondContact O-N 2.91Å; V441-M444 PolarHBondContact O-N 3.07Å; V441-M444 VanDerWaalsContact O-N 3.11Å; M444-A447 PolarHBondContact O-N 3.15Å; M444-G448 PolarHBondContact O-N 3.03Å; M444-G448 VanDerWaalsContact O-N 3.12Å
445S57.4Low56.3Low62 Ų62111.6 Ų111.643%0.43461%0.612SS.*Hα-helixtrans-65.3-39.8174-490000112.1V441 G448 Q449V441-S445 PolarHBondContact O-N 3.48Å; V441-S445 PolarHBondContact O-OG 3.07Å; S445-G448 PolarHBondContact O-N 3.35Å; S445-Q449 PolarHBondContact O-N 3.43Å; S445-Q449 PolarHBondContact O-OE1 2.84Å
446T54.9Low54.4Low93 Ų93118.6 Ų118.657%0.57164%0.635SS**Hα-helixtrans-72.2-27.3177.648.60000113.5A442 Q443A442-T446 PolarHBondContact O-N 3.07Å; A442-T446 PolarHBondContact O-OG1 3.39Å; A442-T446 VanDerWaalsContact O-OG1 3.11Å; Q443-T446 WeakPolarHBondContact CA-OG1 3.3Å; Q443-T446 PolarHBondContact O-OG1 3.49Å
447A51.3Low52.1Low70 Ų70124.8 Ų124.858%0.57965%0.651SS**Hα-helixtrans-73-31.1170.500000113Q443 M444Q443-A447 PolarHBondContact O-N 2.96Å; M444-A447 PolarHBondContact O-N 3.15Å
448G49.5Very low49.9Very low47 Ų47126.5 Ų126.549%0.48567%0.665SS.*Hα-helixtrans-73-34.2175.800000114.3M444 S445M444-G448 PolarHBondContact O-N 3.03Å; M444-G448 VanDerWaalsContact O-N 3.12Å; S445-G448 PolarHBondContact O-N 3.35Å
449Q46.8Very low47.7Very low140 Ų140127.7 Ų127.765%0.65467%0.674SS**Hα-helixtrans-73.7-24.1179.1-113.588.9-7.500113.9S445 R451 K452S445-Q449 PolarHBondContact O-N 3.43Å; S445-Q449 PolarHBondContact O-OE1 2.84Å; Q449-R451 PolarHBondContact O-N 3.47Å; Q449-K452 PolarHBondContact O-N 3.17Å
450R45.2Very low45.7Very low232 Ų232132.7 Ų132.788%0.87569%0.687SS**THydrogen-bonded Turntrans-73.3-5.9179.8-85.5-177.3170.4176.7-1.6114.9
451R43.5Very low43.4Very low238 Ų238132.6 Ų132.690%0.89869%0.691SS**THydrogen-bonded Turntrans-104.7-0.1177.2-105.1-179.6174174.5-1.8114.9Q449Q449-R451 PolarHBondContact O-N 3.47Å
452K39.3Very low41.2Very low181 Ų181135.1 Ų135.179%0.78770%0.695SS**THydrogen-bonded Turntrans-119.4-3.7-172.6-111.6-176.2179.3-176.80118Q449Q449-K452 PolarHBondContact O-N 3.17Å
453N33.8Very low39.2Very low149 Ų149139.8 Ų139.880%0.79771%0.707SS**  trans-123.377.5176.6-69.4-0.5000111
454G28.2Very low37.2Very low65 Ų65137.1 Ų137.167%0.6771%0.708SS**  trans-89.9143.9145.800000107.8
455V31.4Very low35.4Very low131 Ų131134.9 Ų134.979%0.79471%0.707SS**  trans76.3106.6-171.1-161.90000109.9
456E32.4Very low33.7Very low183 Ų183136.7 Ų136.786%0.85572%0.719SS**  cis-162.8142.248.2-134.4162.2-157.700110.1
457R26.9Very low32.3Very low244 Ų244138.3 Ų138.392%0.92173%0.729SS**  trans-75.7159.1162.8-84.1173169.3176.5-3.4107.5
458A26Very low30.9Very low83 Ų83144.2 Ų144.269%0.68675%0.745SS**  cis-177.5-173.827.500000107.9
459L26Very low29.7Very low145 Ų145145.1 Ų145.176%0.75975%0.754SS**  trans90.9126.6169.9-84.868.5000115.3
460F28.1Very low28.5Very low157 Ų157145.2 Ų145.269%0.68976%0.764SS**  cis-150132.19.2-102.1-89.5000105.9
461I26.6Very low27.5Very low136 Ų136139 Ų13970%0.69776%0.762SS**  61.8136.488.7-69.4171.4000112.6
462K25Very low26.8Very low146 Ų146134.9 Ų134.964%0.63576%0.757SS**  cis-177.1154.8-9.8-115.3176.1153.9-135.20105.8
463E23.7Very low26.1Very low153 Ų153131.7 Ų131.772%0.71576%0.755SS**  trans59.7151.2139.3-68.8167.2177.300120.8
464A23.5Very low25.7Very low78 Ų78129.9 Ų129.965%0.64575%0.754SS**  cis-172160.8-11.900000109.3
465S23.5Very low25.6Very low100 Ų100130.4 Ų130.470%0.69976%0.759SS**  trans47.5113137.368.20000120.3
466S22.9Very low25.4Very low100 Ų100132.9 Ų132.970%0.69976%0.762SS**  93.3124.587.3720000113.5
467T24Very low25Very low126 Ų126128.3 Ų128.377%0.77376%0.756SS**  164.1125122.140.80000111.7
468E22.2Very low25Very low194 Ų194123.2 Ų123.291%0.90775%0.751SS**  trans39.8143.2132.2-60.1-175.2159.400122.8
469G25.5Very low24.9Very low66 Ų66126.2 Ų126.268%0.6876%0.756SS**  trans157.375.2161.800000115.4
470T21.9Very low25Very low142 Ų142122.5 Ų122.587%0.87175%0.752SS**  trans29.2136.9130.553.90000122.9
471A23.9Very low24.9Very low101 Ų101121 Ų12184%0.83576%0.756SS**  125.2133.9129.600000117.9
472I27.1Very low25Very low153 Ų153119.4 Ų119.479%0.78576%0.764SS**  trans-97.6152.4179.5-55.6159.7000108.5
473P26.5Very low25.3Very low114 Ų114117 Ų11774%0.7477%0.771SS**  -141.4130108.725.1-5.2000111.8
474S24Very low25.8Very low110 Ų110114.1 Ų114.177%0.76977%0.773SS**  51.7116.88169.40000116.5
475G26.6Very low26.3Very low76 Ų76116.9 Ų116.978%0.78478%0.782SS**  trans136128.6165.500000112.3
476Q27.3Very low27.5Very low183 Ų183120.5 Ų120.586%0.85579%0.785SS**  cis-148.6134.11.9-81170.4-29.100106.9
477A23.3Very low29.4Very low88 Ų88119.9 Ų119.973%0.72777%0.774SS**  trans-77.1120.3158.600000107.1N479A477-N479 PolarHBondContact O-N 3.33Å
478V27.7Very low30.8Very low137 Ų137118.9 Ų118.983%0.8377%0.77SS**  trans-77.184.4167.1-179.60000106.7G480V478-G480 VanDerWaalsContact C-N 3.29Å; V478-G480 PolarHBondContact O-N 3.04Å; V478-G480 VanDerWaalsContact O-N 3.16Å
479N23.9Very low32.4Very low145 Ų145116.9 Ų116.978%0.77576%0.759SS**  trans-71.793.1156-84.8-16.3000106.6A477 T481A477-N479 PolarHBondContact O-N 3.33Å; N479-T481 VanDerWaalsContact C-N 3.32Å; N479-T481 PolarHBondContact O-N 2.81Å
480G28.6Very low34.2Very low67 Ų67117.4 Ų117.469%0.69175%0.745SS**  trans-66.396.7162.900000108.3V478 A482V478-G480 VanDerWaalsContact C-N 3.29Å; V478-G480 PolarHBondContact O-N 3.04Å; V478-G480 VanDerWaalsContact O-N 3.16Å; G480-A482 PolarHBondContact O-N 3.12Å
481T25.6Very low36.2Very low126 Ų126114.7 Ų114.777%0.77373%0.726SS**  trans-53.6116.9164.438.50000108.9N479 A483N479-T481 VanDerWaalsContact C-N 3.32Å; N479-T481 PolarHBondContact O-N 2.81Å; T481-A483 VanDerWaalsContact C-N 3.3Å; T481-A483 PolarHBondContact O-N 3.38Å
482A28Very low37.9Very low103 Ų103114.1 Ų114.185%0.85171%0.708SS**  trans-65.297164.900000107.5G480 A484G480-A482 PolarHBondContact O-N 3.12Å; A482-A484 PolarHBondContact O-N 2.61Å
483A31.5Very low39.6Very low95 Ų95114.4 Ų114.479%0.78570%0.704SS**  trans-61.1124.2168.700000108.8T481 T485T481-A483 VanDerWaalsContact C-N 3.3Å; T481-A483 PolarHBondContact O-N 3.38Å; A483-T485 PolarHBondContact O-N 2.68Å
484A33.4Very low41.2Very low92 Ų92111.9 Ų111.976%0.7669%0.692SS**SBendtrans-61.2119.6173.600000110.2A482A482-A484 PolarHBondContact O-N 2.61Å
485T35.6Very low42.8Very low136 Ų136115 Ų11583%0.83469%0.687SS**  trans164.179.2139.448.30000107.6A483A483-T485 PolarHBondContact O-N 2.68Å
486K47.3Very low44.1Very low177 Ų177117.8 Ų117.877%0.7768%0.684SS**  trans-141.8138.8166.1-76.9-165.6177.2177.70111.7D490K486-D490 HydrophobicContact CB-CB 4.31Å
487N62.7Low45.8Very low86 Ų86114.5 Ų114.546%0.4667%0.668SS.*  trans-37.1133.8175.5179.1-13000111.4F489 D490 D491N487-F489 PolarHBondContact O-N 3.09Å; N487-F489 PolarHBondContact OD1-N 3.1Å; N487-D490 HydrophobicContact CB-CB 4.47Å; N487-D490 WeakPolarHBondContact O-CB 3.5Å; N487-D490 PolarHBondContact O-N 3.13Å; N487-D491 PolarHBondContact O-N 3.4Å
488P53.7Low47.2Very low105 Ų105114.7 Ų114.768%0.68267%0.669SS**Hα-helixtrans-49.6-31.2177.7-15.414.1000113.6L492P488-L492 WeakPolarHBondContact O-CB 3.42Å; P488-L492 PolarHBondContact O-N 3.44Å
489F55.5Low48.3Very low153 Ų153111.7 Ų111.767%0.67165%0.654SS**Hα-helixtrans-67.6-35.5175.2-82-84.9000113.6N487 L492 K493N487-F489 PolarHBondContact O-N 3.09Å; N487-F489 PolarHBondContact OD1-N 3.1Å; F489-L492 PolarHBondContact O-N 2.83Å; F489-K493 WeakPolarHBondContact O-CB 3.46Å; F489-K493 PolarHBondContact O-N 3.04Å
490D64.1Low50Low76 Ų76106.4 Ų106.441%0.40663%0.631SS.*Hα-helixtrans-74.5-36.7178.8-69.2-33000111.5K486 N487 K493 A494K486-D490 HydrophobicContact CB-CB 4.31Å; N487-D490 HydrophobicContact CB-CB 4.47Å; N487-D490 WeakPolarHBondContact O-CB 3.5Å; N487-D490 PolarHBondContact O-N 3.13Å; D490-K493 PolarHBondContact O-N 3.36Å; D490-A494 WeakPolarHBondContact O-CB 3.5Å; D490-A494 PolarHBondContact O-N 3.45Å
491D64Low51.6Low85 Ų85106.2 Ų106.246%0.45561%0.614SS.*Hα-helixtrans-63.9-43.9170.2-174.860.4000110.9N487 K493 A494 R495N487-D491 PolarHBondContact O-N 3.4Å; D491-K493 PolarHBondContact O-N 3.31Å; D491-A494 PolarHBondContact O-N 3.13Å; D491-R495 WeakPolarHBondContact O-CB 3.48Å; D491-R495 VanDerWaalsContact O-CG 3.23Å; D491-R495 WeakPolarHBondContact O-CG 3.26Å; D491-R495 PolarHBondContact O-N 2.67Å; D491-R495 VanDerWaalsContact OD2-CD 3.31Å; D491-R495 WeakPolarHBondContact OD2-CD 3.41Å; D491-R495 IonicContact OD2-NH1 2.67Å
492L59.9Low53.5Low89 Ų89103 Ų10347%0.46660%0.595SS.*Hα-helixtrans-62.7-43.1175.6-157.986000111.7P488 F489 A494 R495 L496P488-L492 WeakPolarHBondContact O-CB 3.42Å; P488-L492 PolarHBondContact O-N 3.44Å; F489-L492 PolarHBondContact O-N 2.83Å; L492-A494 PolarHBondContact O-N 3.41Å; L492-R495 PolarHBondContact O-N 2.9Å; L492-L496 HydrophobicContact CD2-CD1 3.96Å; L492-L496 HydrophobicContact CG-CD1 3.87Å; L492-L496 HydrophobicContact CG-CG 4.47Å; L492-L496 VanDerWaalsContact O-CB 3.32Å; L492-L496 WeakPolarHBondContact O-CB 3.42Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.16Å; L492-L496 PolarHBondContact O-N 3.02Å
493K61.7Low55.4Low159 Ų159107.3 Ų107.369%0.69159%0.594SS**Hα-helixtrans-61.7-42.8176-124.1175.3-179175.30111.7F489 D490 D491 L496 H497F489-K493 WeakPolarHBondContact O-CB 3.46Å; F489-K493 PolarHBondContact O-N 3.04Å; D490-K493 PolarHBondContact O-N 3.36Å; D491-K493 PolarHBondContact O-N 3.31Å; K493-L496 PolarHBondContact O-N 2.88Å; K493-H497 PolarHBondContact O-N 3.42Å
494A61.1Low57Low61 Ų61108.9 Ų108.950%0.50459%0.59SS.*Hα-helixtrans-65.6-39.517700000111.6D490 D491 L492 H497 A500D490-A494 WeakPolarHBondContact O-CB 3.5Å; D490-A494 PolarHBondContact O-N 3.45Å; D491-A494 PolarHBondContact O-N 3.13Å; L492-A494 PolarHBondContact O-N 3.41Å; A494-H497 WeakPolarHBondContact O-CB 3.23Å; A494-H497 PolarHBondContact O-N 3.05Å; A494-A500 WeakPolarHBondContact O-CB 3.49Å
495R56.7Low58.7Low175 Ų175105.5 Ų105.566%0.6656%0.559SS**Hα-helixtrans-73-28.2177.6-71.2173.464.2-174.7-1.7113.9D491 L492D491-R495 WeakPolarHBondContact O-CB 3.48Å; D491-R495 VanDerWaalsContact O-CG 3.23Å; D491-R495 WeakPolarHBondContact O-CG 3.26Å; D491-R495 PolarHBondContact O-N 2.67Å; D491-R495 VanDerWaalsContact OD2-CD 3.31Å; D491-R495 WeakPolarHBondContact OD2-CD 3.41Å; D491-R495 IonicContact OD2-NH1 2.67Å; L492-R495 PolarHBondContact O-N 2.9Å
496L54.2Low60.1Low135 Ų135103.7 Ų103.771%0.70755%0.549SS*.Hα-helixtrans-91-5.1176.3-69.7171.9000113.4L492 K493L492-L496 HydrophobicContact CD2-CD1 3.96Å; L492-L496 HydrophobicContact CG-CD1 3.87Å; L492-L496 HydrophobicContact CG-CG 4.47Å; L492-L496 VanDerWaalsContact O-CB 3.32Å; L492-L496 WeakPolarHBondContact O-CB 3.42Å; L492-L496 VanDerWaalsContact O-CG 3.29Å; L492-L496 WeakPolarHBondContact O-CG 3.16Å; L492-L496 PolarHBondContact O-N 3.02Å; K493-L496 PolarHBondContact O-N 2.88Å
497H64.4Low61.5Low115 Ų115100.5 Ų100.553%0.53255%0.548SS..SBendtrans-63.9140.2179.5-167.2-97.4000110.6K493 A494 S499 A500K493-H497 PolarHBondContact O-N 3.42Å; A494-H497 WeakPolarHBondContact O-CB 3.23Å; A494-H497 PolarHBondContact O-N 3.05Å; H497-S499 PolarHBondContact CE1-OG 3.16Å; H497-S499 PolarHBondContact ND1-N 2.72Å; H497-S499 PolarHBondContact ND1-OG 3.43Å; H497-S499 PolarHBondContact O-N 3.21Å; H497-A500 VanDerWaalsContact O-CB 3.29Å; H497-A500 WeakPolarHBondContact O-CB 3.43Å; H497-A500 PolarHBondContact O-N 2.88Å
498A52.7Low62.5Low91 Ų9197.9 Ų97.975%0.75253%0.532SS*.THydrogen-bonded Turntrans-60.7-14.5-175.500000114.6
499S50.6Low64Low74 Ų7497.8 Ų97.852%0.51752%0.522SS..THydrogen-bonded Turntrans-92.4-8.9174.370.70000114.3H497 I501H497-S499 PolarHBondContact CE1-OG 3.16Å; H497-S499 PolarHBondContact ND1-N 2.72Å; H497-S499 PolarHBondContact ND1-OG 3.43Å; H497-S499 PolarHBondContact O-N 3.21Å; S499-I501 PolarHBondContact O-N 3.23Å
500A59.2Low65.4Low35 Ų3597.3 Ų97.329%0.28952%0.522SS..  trans-71.9123.8177.400000109.5A494 H497 P502A494-A500 WeakPolarHBondContact O-CB 3.49Å; H497-A500 VanDerWaalsContact O-CB 3.29Å; H497-A500 WeakPolarHBondContact O-CB 3.43Å; H497-A500 PolarHBondContact O-N 2.88Å; A500-P502 VanDerWaalsContact O-CD 3.31Å; A500-P502 WeakPolarHBondContact O-CD 3.43Å
501I62.2Low66.5Low62 Ų6295.3 Ų95.332%0.31851%0.51SS..  trans-88.4111.9178.8-57.2172.2000107.6S499 R546 H547 H550S499-I501 PolarHBondContact O-N 3.23Å; I501-R546 HydrophobicContact CD1-CB 3.89Å; I501-H547 HydrophobicContact CG2-CB 3.92Å; I501-H550 VanDerWaalsContact CD1-CD2 3.47Å; I501-H550 WeakPolarHBondContact CD1-CD2 3.41Å
502P65.7Low67.7Low58 Ų5892.4 Ų92.438%0.37749%0.493SS..  trans-68.7151.2179.227.8-32.1000110.7A500 N504 L505 H547A500-P502 VanDerWaalsContact O-CD 3.31Å; A500-P502 WeakPolarHBondContact O-CD 3.43Å; P502-N504 PolarHBondContact O-N 3.35Å; P502-L505 HydrophobicContact CG-CD1 3.58Å; P502-L505 HydrophobicContact CG-CG 4.13Å; P502-H547 PolarHBondContact O-CE1 3.36Å; P502-H547 PolarHBondContact O-ND1 3.28Å
503K66.8Low69Low194 Ų19492.9 Ų92.984%0.84349%0.494SS*.SBendtrans-63.4-29.7-179.8-73.1-174.8178.5-179.70113H547K503-H547 PolarHBondContact O-CE1 3.37Å; K503-H547 PolarHBondContact O-NE2 2.87Å
504N65.3Low70.3Confident128 Ų12891.4 Ų91.468%0.68449%0.487SS*.SBendtrans-132.6137.1173.9-67.4-29.7000107.9P502 P506P502-N504 PolarHBondContact O-N 3.35Å; N504-P506 WeakPolarHBondContact O-CD 3.31Å
505L70Confident71.7Confident22 Ų2288.5 Ų88.512%0.11546%0.463CS..  trans-103.387.9174.1-109.996.7000110.1P502 R508 V543 T544 H547P502-L505 HydrophobicContact CG-CD1 3.58Å; P502-L505 HydrophobicContact CG-CG 4.13Å; L505-R508 HydrophobicContact CD2-CB 4.33Å; L505-R508 PolarHBondContact O-N 2.9Å; L505-V543 HydrophobicContact CD1-CG1 3.69Å; L505-V543 HydrophobicContact CD2-CB 4.36Å; L505-V543 HydrophobicContact CD2-CG1 3.98Å; L505-V543 HydrophobicContact CG-CG1 4.29Å; L505-T544 WeakPolarHBondContact CD2-OG1 3.41Å; L505-H547 HydrophobicContact CD1-CB 3.97Å
506P65.6Low73.3Confident97 Ų9782.3 Ų82.363%0.6344%0.441SS*.THydrogen-bonded Turntrans-55.9141.7176.221.2-30.1000111.2N504 R508 E509N504-P506 WeakPolarHBondContact O-CD 3.31Å; P506-R508 VanDerWaalsContact C-N 3.29Å; P506-R508 PolarHBondContact O-N 3.15Å; P506-E509 WeakPolarHBondContact CA-OE1 3.29Å
507C75.4Confident74.8Confident111 Ų11179.3 Ų79.375%0.7543%0.428SS*.THydrogen-bonded Turntrans73.57176.3-500000115.7E509C507-E509 WeakPolarHBondContact CA-OE2 3.46Å; C507-E509 PolarHBondContact N-OE1 3.18Å; C507-E509 PolarHBondContact N-OE2 2.94Å
508R83.5Confident76Confident31 Ų3175 Ų7512%0.11741%0.408CS..  trans-129.617.7176.1-64.4-63-176.1-154-6.1113.2L505 P506 Q510 Q511 F512 T539 T544 F679 H680L505-R508 HydrophobicContact CD2-CB 4.33Å; L505-R508 PolarHBondContact O-N 2.9Å; P506-R508 VanDerWaalsContact C-N 3.29Å; P506-R508 PolarHBondContact O-N 3.15Å; R508-Q510 VanDerWaalsContact C-N 3.31Å; R508-Q510 PolarHBondContact O-N 3.46Å; R508-Q511 PolarHBondContact O-N 3.2Å; R508-F512 VanDerWaalsContact O-CB 3.3Å; R508-F512 WeakPolarHBondContact O-CB 3.39Å; R508-F512 PolarHBondContact O-N 3.23Å; R508-T539 PolarHBondContact NE-O 3.36Å; R508-T539 PolarHBondContact NH2-O 3.22Å; R508-T544 HydrophobicContact CB-CG2 4.41Å; R508-F679 HydrophobicContact CG-CE1 4.36Å; R508-H680 VanDerWaalsContact CZ-O 3.23Å; R508-H680 PolarHBondContact NH1-O 3.26Å; R508-H680 PolarHBondContact NH2-O 2.94Å
509E85.1Confident77.8Confident102 Ų10270.7 Ų70.748%0.47737%0.372SS..Hα-helixtrans-57.7-42.3-176.1-70.171.8-158.800112.1P506 C507 F512 Q513P506-E509 WeakPolarHBondContact CA-OE1 3.29Å; C507-E509 WeakPolarHBondContact CA-OE2 3.46Å; C507-E509 PolarHBondContact N-OE1 3.18Å; C507-E509 PolarHBondContact N-OE2 2.94Å; E509-F512 PolarHBondContact O-N 3.2Å; E509-Q513 WeakPolarHBondContact O-CB 3.43Å; E509-Q513 VanDerWaalsContact O-CG 3.29Å; E509-Q513 WeakPolarHBondContact O-CG 3.46Å; E509-Q513 PolarHBondContact O-N 2.83Å
510Q84.8Confident79.6Confident143 Ų14368 Ų6867%0.66835%0.354SS*.Hα-helixtrans-66.4-45.9-179.7-65.8-174.46.300111.8R508 Q513 K514R508-Q510 VanDerWaalsContact C-N 3.31Å; R508-Q510 PolarHBondContact O-N 3.46Å; Q510-Q513 PolarHBondContact O-N 3.24Å; Q510-K514 WeakPolarHBondContact O-CG 3.36Å; Q510-K514 PolarHBondContact O-N 3.12Å
511Q88.7Confident80.9Confident34 Ų3469.8 Ų69.816%0.15936%0.363CS..Hα-helixtrans-64.5-43.4177.7-68.179.16.500110.7R508 Q513 K514 I515 T544 L677 F679R508-Q511 PolarHBondContact O-N 3.2Å; Q511-Q513 PolarHBondContact O-N 3.07Å; Q511-K514 PolarHBondContact O-N 3.11Å; Q511-I515 WeakPolarHBondContact O-CG1 3.43Å; Q511-I515 PolarHBondContact O-N 3.09Å; Q511-T544 HydrophobicContact CB-CG2 4.4Å; Q511-L677 HydrophobicContact CB-CD2 3.95Å; Q511-L677 HydrophobicContact CG-CD2 3.83Å; Q511-F679 HydrophobicContact CB-CE1 3.99Å; Q511-F679 HydrophobicContact CB-CE2 3.99Å; Q511-F679 HydrophobicContact CB-CZ 3.56Å; Q511-F679 HydrophobicContact CG-CD1 4.42Å; Q511-F679 HydrophobicContact CG-CD2 4.31Å; Q511-F679 HydrophobicContact CG-CE1 4.13Å; Q511-F679 HydrophobicContact CG-CE2 4.03Å; Q511-F679 HydrophobicContact CG-CG 4.49Å; Q511-F679 HydrophobicContact CG-CZ 3.93Å
512F88.8Confident82.1Confident24 Ų2467.3 Ų67.311%0.10535%0.351CS..Hα-helixtrans-55.6-50.6173.8170.9-98000111.6R508 E509 K514 I515 K516 T544 H547 A548R508-F512 VanDerWaalsContact O-CB 3.3Å; R508-F512 WeakPolarHBondContact O-CB 3.39Å; R508-F512 PolarHBondContact O-N 3.23Å; E509-F512 PolarHBondContact O-N 3.2Å; F512-K514 PolarHBondContact O-N 3.03Å; F512-I515 PolarHBondContact O-N 3.07Å; F512-K516 HydrophobicContact CE1-CD 4.02Å; F512-K516 HydrophobicContact CZ-CD 3.97Å; F512-K516 VanDerWaalsContact O-CB 3.28Å; F512-K516 WeakPolarHBondContact O-CB 3.25Å; F512-K516 PolarHBondContact O-N 3.35Å; F512-T544 HydrophobicContact CB-CG2 3.88Å; F512-H547 HydrophobicContact CD2-CB 4.47Å; F512-H547 AromaticContact CD2-CD2 3.5Å; F512-H547 VanDerWaalsContact CD2-CD2 3.5Å; F512-H547 WeakPolarHBondContact CD2-CD2 3.46Å; F512-H547 HydrophobicContact CE2-CB 4.33Å; F512-H547 AromaticContact CE2-CD2 3.14Å; F512-H547 WeakPolarHBondContact CE2-CD2 3.39Å; F512-H547 AromaticContact CE2-CG 3.92Å; F512-H547 AromaticContact CE2-NE2 3.83Å; F512-H547 AromaticContact CZ-CD2 3.9Å; F512-A548 HydrophobicContact CD2-CB 3.95Å; F512-A548 VanDerWaalsContact CE2-CA 3.44Å; F512-A548 HydrophobicContact CE2-CB 3.94Å
513Q86.9Confident83.1Confident100 Ų10064.6 Ų64.647%0.46733%0.334SS..Hα-helixtrans-65-38.4-179.5-70.8-60.5-8.300112.4E509 Q510 Q511 K516 T517E509-Q513 WeakPolarHBondContact O-CB 3.43Å; E509-Q513 VanDerWaalsContact O-CG 3.29Å; E509-Q513 WeakPolarHBondContact O-CG 3.46Å; E509-Q513 PolarHBondContact O-N 2.83Å; Q510-Q513 PolarHBondContact O-N 3.24Å; Q511-Q513 PolarHBondContact O-N 3.07Å; Q513-K516 PolarHBondContact O-N 2.98Å; Q513-T517 WeakPolarHBondContact O-CB 3.16Å; Q513-T517 PolarHBondContact O-N 3.36Å; Q513-T517 PolarHBondContact O-OG1 2.82Å
514K88.9Confident84Confident127 Ų12762 Ų6255%0.55232%0.322SS*.Hα-helixtrans-62.1-47.7175.2-76.8-178.4180-177.40112Q510 Q511 F512 T517 F518 L677Q510-K514 WeakPolarHBondContact O-CG 3.36Å; Q510-K514 PolarHBondContact O-N 3.12Å; Q511-K514 PolarHBondContact O-N 3.11Å; F512-K514 PolarHBondContact O-N 3.03Å; K514-T517 PolarHBondContact O-N 2.97Å; K514-F518 WeakPolarHBondContact O-CB 3.34Å; K514-F518 PolarHBondContact O-N 3.11Å; K514-L677 HydrophobicContact CB-CD1 3.36Å; K514-L677 HydrophobicContact CD-CD1 3.52Å; K514-L677 HydrophobicContact CG-CD1 4.07Å
515I90.4Very high84.9Confident0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-63.5-47.3177.9-66.7160.7000110.3Q511 F512 T517 F518 I519 I531 T544 I545 A548 L677 F679Q511-I515 WeakPolarHBondContact O-CG1 3.43Å; Q511-I515 PolarHBondContact O-N 3.09Å; F512-I515 PolarHBondContact O-N 3.07Å; I515-T517 PolarHBondContact O-N 3.44Å; I515-F518 PolarHBondContact O-N 3.17Å; I515-I519 HydrophobicContact CG2-CD1 3.79Å; I515-I519 WeakPolarHBondContact O-CG1 3.12Å; I515-I519 PolarHBondContact O-N 3.13Å; I515-I531 HydrophobicContact CG1-CD1 4.41Å; I515-T544 HydrophobicContact CD1-CG2 4.13Å; I515-I545 HydrophobicContact CD1-CG1 3.74Å; I515-I545 HydrophobicContact CG2-CG1 4.47Å; I515-A548 HydrophobicContact CB-CB 4.31Å; I515-A548 HydrophobicContact CG2-CB 3.77Å; I515-L677 HydrophobicContact CD1-CD2 4.38Å; I515-L677 HydrophobicContact CG1-CD1 4.46Å; I515-F679 HydrophobicContact CD1-CE2 4.28Å; I515-F679 HydrophobicContact CD1-CZ 4.16Å
516K90Very high85.5Confident45 Ų4562.8 Ų62.820%0.19633%0.332CS..Hα-helixtrans-60.1-45.7179.1-173.2178.3178.8171.80111.5F512 Q513 S520 A548 S551 L552F512-K516 HydrophobicContact CE1-CD 4.02Å; F512-K516 HydrophobicContact CZ-CD 3.97Å; F512-K516 VanDerWaalsContact O-CB 3.28Å; F512-K516 WeakPolarHBondContact O-CB 3.25Å; F512-K516 PolarHBondContact O-N 3.35Å; Q513-K516 PolarHBondContact O-N 2.98Å; K516-S520 WeakPolarHBondContact O-CB 3.49Å; K516-S520 PolarHBondContact O-N 3.05Å; K516-S520 PolarHBondContact O-OG 3.08Å; K516-A548 HydrophobicContact CB-CB 4.29Å; K516-S551 PolarHBondContact NZ-OG 3.27Å; K516-L552 HydrophobicContact CD-CD2 4.49Å; K516-L552 HydrophobicContact CG-CD1 4.29Å; K516-L552 HydrophobicContact CG-CD2 3.84Å; K516-L552 HydrophobicContact CG-CG 4.04Å
517T86.8Confident86.3Confident72 Ų7260.8 Ų60.844%0.44232%0.318SS..Hα-helixtrans-61.9-49.5179.1-58.90000110.4Q513 K514 I515 I519 S520 C521Q513-T517 WeakPolarHBondContact O-CB 3.16Å; Q513-T517 PolarHBondContact O-N 3.36Å; Q513-T517 PolarHBondContact O-OG1 2.82Å; K514-T517 PolarHBondContact O-N 2.97Å; I515-T517 PolarHBondContact O-N 3.44Å; T517-I519 PolarHBondContact O-N 2.83Å; T517-S520 WeakPolarHBondContact CA-OG 3.43Å; T517-S520 PolarHBondContact O-N 3.19Å; T517-S520 PolarHBondContact O-OG 2.99Å; T517-C521 WeakPolarHBondContact O-CB 3.23Å; T517-C521 PolarHBondContact O-N 3.47Å; T517-C521 PolarHBondContact O-SG 2.88Å
518F89.1Confident86.7Confident26 Ų2656.1 Ų56.111%0.11429%0.289CS..Hα-helixtrans-53.5-55.4178173.6-98.5000112K514 I515 S520 C521 C522 C530 I531 I648 V675K514-F518 WeakPolarHBondContact O-CB 3.34Å; K514-F518 PolarHBondContact O-N 3.11Å; I515-F518 PolarHBondContact O-N 3.17Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 3.28Å; F518-C521 PolarHBondContact O-N 3.44Å; F518-C522 PolarHBondContact O-N 3.43Å; F518-C522 VanDerWaalsContact O-N 3.11Å; F518-C522 PolarHBondContact O-SG 3.29Å; F518-C530 VanDerWaalsContact CZ-C 3.5Å; F518-C530 VanDerWaalsContact CZ-O 3.25Å; F518-C530 WeakPolarHBondContact CZ-O 3.25Å; F518-I531 HydrophobicContact CB-CD1 4.25Å; F518-I531 HydrophobicContact CD1-CB 3.79Å; F518-I531 HydrophobicContact CD1-CD1 4.09Å; F518-I531 HydrophobicContact CD1-CG2 3.75Å; F518-I531 HydrophobicContact CE1-CB 3.57Å; F518-I531 HydrophobicContact CE1-CG2 3.58Å; F518-I531 HydrophobicContact CE2-CB 4.44Å; F518-I531 HydrophobicContact CG-CB 4.34Å; F518-I531 HydrophobicContact CG-CD1 4.08Å; F518-I531 HydrophobicContact CZ-CB 3.93Å; F518-I531 HydrophobicContact CZ-CG2 4.39Å; F518-I648 HydrophobicContact CE1-CG2 3.86Å; F518-V675 HydrophobicContact CD2-CB 4.46Å; F518-V675 HydrophobicContact CD2-CG2 3.9Å; F518-V675 HydrophobicContact CE2-CG2 4.29Å
519I90.5Very high86.7Confident0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-61.2-43.4179.9-59166.7000110I515 T517 C521 C522 L523 V549 L552 V616 I648 I650I515-I519 HydrophobicContact CG2-CD1 3.79Å; I515-I519 WeakPolarHBondContact O-CG1 3.12Å; I515-I519 PolarHBondContact O-N 3.13Å; T517-I519 PolarHBondContact O-N 2.83Å; I519-C521 VanDerWaalsContact C-N 3.34Å; I519-C521 PolarHBondContact O-N 3.39Å; I519-C522 PolarHBondContact O-N 3.17Å; I519-L523 HydrophobicContact CG2-CD1 3.8Å; I519-L523 HydrophobicContact CG2-CG 4.15Å; I519-L523 WeakPolarHBondContact O-CB 3.19Å; I519-L523 VanDerWaalsContact O-CG 3.26Å; I519-L523 WeakPolarHBondContact O-CG 3.35Å; I519-L523 PolarHBondContact O-N 3.14Å; I519-V549 HydrophobicContact CD1-CG2 3.99Å; I519-L552 HydrophobicContact CB-CD1 3.64Å; I519-L552 HydrophobicContact CD1-CD1 4.29Å; I519-L552 HydrophobicContact CG2-CD1 3.51Å; I519-V616 HydrophobicContact CG2-CG2 3.99Å; I519-I648 HydrophobicContact CG2-CD1 4.37Å; I519-I650 HydrophobicContact CD1-CD1 3.63Å; I519-I650 HydrophobicContact CG1-CD1 4.18Å
520S88.6Confident86.8Confident18 Ų1850 Ų5013%0.12626%0.263CS..Hα-helixtrans-63.9-37.5-178.375.90000113.4K516 T517 F518 K524K516-S520 WeakPolarHBondContact O-CB 3.49Å; K516-S520 PolarHBondContact O-N 3.05Å; K516-S520 PolarHBondContact O-OG 3.08Å; T517-S520 WeakPolarHBondContact CA-OG 3.43Å; T517-S520 PolarHBondContact O-N 3.19Å; T517-S520 PolarHBondContact O-OG 2.99Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 3.28Å; S520-K524 WeakPolarHBondContact O-CB 3.43Å; S520-K524 VanDerWaalsContact O-CG 3.26Å; S520-K524 WeakPolarHBondContact O-CG 3.41Å; S520-K524 PolarHBondContact O-N 2.95Å
521C85.9Confident86.9Confident71 Ų7143.2 Ų43.248%0.4823%0.231SC..Hα-helixtrans-67.2-47.8176.7-71.10000110.8T517 F518 I519 L523 K524 A525T517-C521 WeakPolarHBondContact O-CB 3.23Å; T517-C521 PolarHBondContact O-N 3.47Å; T517-C521 PolarHBondContact O-SG 2.88Å; F518-C521 PolarHBondContact O-N 3.44Å; I519-C521 VanDerWaalsContact C-N 3.34Å; I519-C521 PolarHBondContact O-N 3.39Å; C521-L523 VanDerWaalsContact C-N 3.33Å; C521-L523 PolarHBondContact O-N 3.13Å; C521-K524 PolarHBondContact O-N 2.93Å; C521-A525 WeakPolarHBondContact O-CB 3.05Å; C521-A525 PolarHBondContact O-N 3.23Å
522C86.3Confident86.8Confident11 Ų1141.6 Ų41.67%0.07422%0.224CC..Hα-helixtrans-58.8-44.1176.4-680000111.8F518 I519 A525 E526 V527 I648F518-C522 PolarHBondContact O-N 3.43Å; F518-C522 VanDerWaalsContact O-N 3.11Å; F518-C522 PolarHBondContact O-SG 3.29Å; I519-C522 PolarHBondContact O-N 3.17Å; C522-A525 PolarHBondContact O-N 3.3Å; C522-E526 PolarHBondContact O-N 3.36Å; C522-V527 HydrophobicContact CB-CG2 4.41Å; C522-V527 PolarHBondContact O-N 2.87Å; C522-V527 VanDerWaalsContact O-N 3.08Å; C522-I648 HydrophobicContact CB-CD1 3.44Å; C522-I648 VanDerWaalsContact CB-CD1 3.44Å; C522-I648 HydrophobicContact CB-CG1 3.78Å
523L88.6Confident86.8Confident1 Ų140.5 Ų40.51%0.00522%0.219CC..Hα-helixtrans-63.8-44.7178.4-71.8176.4000112.7I519 C521 E526 M558 F561 P614 I648I519-L523 HydrophobicContact CG2-CD1 3.8Å; I519-L523 HydrophobicContact CG2-CG 4.15Å; I519-L523 WeakPolarHBondContact O-CB 3.19Å; I519-L523 VanDerWaalsContact O-CG 3.26Å; I519-L523 WeakPolarHBondContact O-CG 3.35Å; I519-L523 PolarHBondContact O-N 3.14Å; C521-L523 VanDerWaalsContact C-N 3.33Å; C521-L523 PolarHBondContact O-N 3.13Å; L523-E526 PolarHBondContact O-N 3.11Å; L523-M558 HydrophobicContact CB-CE 3.88Å; L523-M558 HydrophobicContact CD1-CE 3.81Å; L523-F561 HydrophobicContact CD1-CD1 3.46Å; L523-F561 VanDerWaalsContact CD1-CD1 3.46Å; L523-F561 HydrophobicContact CD1-CE1 3.69Å; L523-F561 HydrophobicContact CD1-CG 4.04Å; L523-F561 HydrophobicContact CD1-CZ 4.42Å; L523-F561 HydrophobicContact CD2-CB 3.65Å; L523-F561 HydrophobicContact CD2-CD1 4.14Å; L523-F561 HydrophobicContact CD2-CG 3.98Å; L523-F561 HydrophobicContact CG-CD1 4.47Å; L523-P614 HydrophobicContact CD2-CB 3.63Å; L523-P614 HydrophobicContact CD2-CG 3.97Å; L523-I648 HydrophobicContact CD2-CD1 3.79Å; L523-I648 HydrophobicContact CG-CD1 3.91Å
524K85.1Confident86.8Confident139 Ų13935.7 Ų35.760%0.60420%0.196SC*.Hα-helixtrans-68.4-34.8180-74.4174.2-178.4178.70112.9S520 C521 E526 M558S520-K524 WeakPolarHBondContact O-CB 3.43Å; S520-K524 VanDerWaalsContact O-CG 3.26Å; S520-K524 WeakPolarHBondContact O-CG 3.41Å; S520-K524 PolarHBondContact O-N 2.95Å; C521-K524 PolarHBondContact O-N 2.93Å; K524-E526 VanDerWaalsContact C-N 3.28Å; K524-M558 HydrophobicContact CG-CE 4.37Å
525A83.4Confident86.5Confident65 Ų6529.8 Ų29.854%0.53717%0.171SC..Hα-helixtrans-82.9-5.4176.500000113.2C521 C522 V527C521-A525 WeakPolarHBondContact O-CB 3.05Å; C521-A525 PolarHBondContact O-N 3.23Å; C522-A525 PolarHBondContact O-N 3.3Å; A525-V527 HydrophobicContact CB-CG1 4.3Å; A525-V527 HydrophobicContact CB-CG2 3.95Å; A525-V527 PolarHBondContact O-N 3.42Å
526E82.5Confident85.9Confident101 Ų10133.7 Ų33.747%0.47220%0.195SC..THydrogen-bonded Turntrans53.234.8-173.4-57.2-161.4153.100114.3C522 L523 K524 K646C522-E526 PolarHBondContact O-N 3.36Å; L523-E526 PolarHBondContact O-N 3.11Å; K524-E526 VanDerWaalsContact C-N 3.28Å; E526-K646 HydrophobicContact CB-CD 4.47Å; E526-K646 VanDerWaalsContact CD-NZ 3.3Å; E526-K646 IonicContact OE1-NZ 3Å; E526-K646 IonicContact OE2-NZ 2.68Å; E526-K646 PolarHBondContact OE2-NZ 2.57Å
527V83.2Confident85.5Confident55 Ų5536 Ų3633%0.33322%0.215SC..  trans-107.5155.4178.7-630000111.5C522 A525C522-V527 HydrophobicContact CB-CG2 4.41Å; C522-V527 PolarHBondContact O-N 2.87Å; C522-V527 VanDerWaalsContact O-N 3.08Å; A525-V527 HydrophobicContact CB-CG1 4.3Å; A525-V527 HydrophobicContact CB-CG2 3.95Å; A525-V527 PolarHBondContact O-N 3.42Å
528G83.9Confident85.2Confident14 Ų1436.6 Ų36.614%0.14424%0.235CC..  trans-68.9174.5164.200000112.1S640 L647G528-S640 CarbonylContact C-O 3.6Å; G528-S640 VanDerWaalsContact C-O 3.28Å; G528-S640 WeakPolarHBondContact CA-O 3.47Å; G528-L647 CarbonylContact C-O 3.53Å; G528-L647 WeakPolarHBondContact CA-O 3.31Å
529G83.9Confident84.9Confident4 Ų436 Ų364%0.04123%0.234CC..EExtended strand (participates in β ladder)trans179.8163.3172.800000111.8S640 L647 I648 V649G529-S640 PolarHBondContact N-O 3.46Å; G529-S640 VanDerWaalsContact N-O 3.12Å; G529-L647 PolarHBondContact N-O 3.3Å; G529-I648 CarbonylContact O-C 3.28Å; G529-I648 VanDerWaalsContact O-CA 3.26Å; G529-I648 WeakPolarHBondContact O-CA 3.49Å; G529-V649 PolarHBondContact O-N 3.28Å
530C87.2Confident84.6Confident0 Ų037.2 Ų37.20%025%0.246CC..EExtended strand (participates in β ladder)trans-124.3141.5174.7178.80000109.9F518 F637 V649 N674F518-C530 VanDerWaalsContact CZ-C 3.5Å; F518-C530 VanDerWaalsContact CZ-O 3.25Å; F518-C530 WeakPolarHBondContact CZ-O 3.25Å; C530-F637 HydrophobicContact CB-CD1 4.28Å; C530-F637 WeakPolarHBondContact SG-CD1 3.42Å; C530-F637 WeakPolarHBondContact SG-CE1 3.48Å; C530-V649 CarbonylContact C-O 3.28Å; C530-V649 VanDerWaalsContact CA-O 3.27Å; C530-V649 WeakPolarHBondContact CA-O 3.45Å; C530-N674 HydrophobicContact CB-CB 4.36Å; C530-N674 WeakPolarHBondContact O-CB 3.27Å
531I87Confident84.6Confident0 Ų036.9 Ų36.90%024%0.242CC..EExtended strand (participates in β ladder)trans-129.9132.7166.8-176.1168.8000108.1I515 F518 V533 V649 I650 A651 V675I515-I531 HydrophobicContact CG1-CD1 4.41Å; F518-I531 HydrophobicContact CB-CD1 4.25Å; F518-I531 HydrophobicContact CD1-CB 3.79Å; F518-I531 HydrophobicContact CD1-CD1 4.09Å; F518-I531 HydrophobicContact CD1-CG2 3.75Å; F518-I531 HydrophobicContact CE1-CB 3.57Å; F518-I531 HydrophobicContact CE1-CG2 3.58Å; F518-I531 HydrophobicContact CE2-CB 4.44Å; F518-I531 HydrophobicContact CG-CB 4.34Å; F518-I531 HydrophobicContact CG-CD1 4.08Å; F518-I531 HydrophobicContact CZ-CB 3.93Å; F518-I531 HydrophobicContact CZ-CG2 4.39Å; I531-V533 HydrophobicContact CG1-CG2 4.33Å; I531-V649 PolarHBondContact N-O 3.02Å; I531-I650 HydrophobicContact CG2-CB 4.01Å; I531-I650 HydrophobicContact CG2-CG1 3.72Å; I531-I650 HydrophobicContact CG2-CG2 3.9Å; I531-A651 PolarHBondContact O-N 2.84Å; I531-V675 HydrophobicContact CD1-CB 4.13Å; I531-V675 HydrophobicContact CD1-CG1 4Å; I531-V675 HydrophobicContact CG1-CB 4.03Å; I531-V675 HydrophobicContact CG1-CG1 4.26Å; I531-V675 WeakPolarHBondContact CG1-O 3.33Å
532Y86.4Confident84.8Confident1 Ų134.7 Ų34.70%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-103.4123.1176.4-177.8-104.6000109.8V622 A651 A653 T655 F658 P659 V671 V675 L676 L677Y532-V622 HydrophobicContact CE2-CG1 4.37Å; Y532-A651 WeakPolarHBondContact CA-O 3.38Å; Y532-A651 HydrophobicContact CD2-CB 4.04Å; Y532-A651 WeakPolarHBondContact CD2-O 3.37Å; Y532-A653 HydrophobicContact CE2-CB 3.99Å; Y532-A653 WeakPolarHBondContact OH-CB 3.48Å; Y532-T655 PolarHBondContact OH-O 2.95Å; Y532-F658 HydrophobicContact CD2-CD1 4.31Å; Y532-F658 HydrophobicContact CE1-CB 4.21Å; Y532-F658 HydrophobicContact CE2-CB 4.06Å; Y532-F658 AromaticContact CE2-CD1 3.47Å; Y532-F658 HydrophobicContact CE2-CD1 3.47Å; Y532-F658 VanDerWaalsContact CE2-CD1 3.47Å; Y532-F658 HydrophobicContact CE2-CE1 4.28Å; Y532-F658 HydrophobicContact CE2-CG 4.05Å; Y532-F658 VanDerWaalsContact CZ-CB 3.49Å; Y532-F658 AromaticContact CZ-CD1 3.86Å; Y532-F658 AromaticContact CZ-CG 3.98Å; Y532-F658 WeakPolarHBondContact OH-CB 3.48Å; Y532-P659 HydrophobicContact CD1-CG 3.57Å; Y532-P659 HydrophobicContact CD2-CG 4.19Å; Y532-P659 HydrophobicContact CE1-CG 3.66Å; Y532-P659 HydrophobicContact CE2-CG 4.32Å; Y532-P659 HydrophobicContact CG-CG 3.86Å; Y532-V671 HydrophobicContact CG-CG1 4.45Å; Y532-V675 PolarHBondContact N-O 3.1Å; Y532-L676 HydrophobicContact CD1-CD1 3.63Å; Y532-L676 HydrophobicContact CD1-CG 4.21Å; Y532-L676 HydrophobicContact CE1-CD1 4.35Å; Y532-L677 PolarHBondContact O-N 3Å
533V88.7Confident84.8Confident0 Ų035.9 Ų35.90%023%0.234CC..EExtended strand (participates in β ladder)trans-116.1125.3-179.4-1770000109.2I531 K541 I545 I650 A651 V652 A653 L677 F679I531-V533 HydrophobicContact CG1-CG2 4.33Å; V533-K541 HydrophobicContact CG1-CB 4.35Å; V533-K541 HydrophobicContact CG1-CD 4.36Å; V533-K541 HydrophobicContact CG1-CG 4.45Å; V533-I545 HydrophobicContact CB-CD1 4.31Å; V533-I545 HydrophobicContact CG1-CD1 4.31Å; V533-I545 HydrophobicContact CG2-CD1 4.14Å; V533-I650 HydrophobicContact CG2-CG2 4.36Å; V533-A651 PolarHBondContact N-O 2.72Å; V533-V652 HydrophobicContact CB-CG2 4.27Å; V533-V652 CarbonylContact O-C 3.57Å; V533-V652 VanDerWaalsContact O-CA 3.28Å; V533-V652 WeakPolarHBondContact O-CA 3.4Å; V533-A653 PolarHBondContact O-N 3.46Å; V533-L677 WeakPolarHBondContact CA-O 3.26Å; V533-L677 HydrophobicContact CG1-CD2 4.44Å; V533-F679 HydrophobicContact CG1-CD2 3.61Å; V533-F679 HydrophobicContact CG1-CE2 3.42Å; V533-F679 VanDerWaalsContact CG1-CE2 3.42Å
534S85.7Confident84.8Confident0 Ų035.9 Ų35.90%023%0.233CC..EExtended strand (participates in β ladder)trans-128.7162.3-177.865.40000111.5A653 T655 L656 L677 N678 F679S534-A653 WeakPolarHBondContact CA-O 3.44Å; S534-T655 WeakPolarHBondContact CB-O 3.47Å; S534-L656 WeakPolarHBondContact OG-CD2 3.45Å; S534-L677 PolarHBondContact N-O 3.4Å; S534-N678 PolarHBondContact OG-OD1 3.3Å; S534-F679 WeakPolarHBondContact O-CB 3.36Å; S534-F679 PolarHBondContact O-N 3.27Å
535G82.8Confident85.1Confident2 Ų229.2 Ų29.22%0.02121%0.205CC..EExtended strand (participates in β ladder)trans152.6163.4173.600000112K541 N654 F679G535-K541 WeakPolarHBondContact O-CE 3.2Å; G535-K541 PolarHBondContact O-NZ 2.88Å; G535-N654 WeakPolarHBondContact O-CA 3.32Å; G535-F679 WeakPolarHBondContact CA-O 3.39Å
536V78Confident85.5Confident82 Ų8228.8 Ų28.850%0.49719%0.189SC..  trans-60.8149.7-178.5-82.70000112.2T539 K541V536-T539 HydrophobicContact CB-CG2 4.39Å; V536-T539 HydrophobicContact CG2-CG2 3.49Å; V536-T539 VanDerWaalsContact CG2-CG2 3.49Å; V536-T539 WeakPolarHBondContact O-CB 3.31Å; V536-T539 VanDerWaalsContact O-CG2 3.3Å; V536-T539 WeakPolarHBondContact O-CG2 3.43Å; V536-T539 PolarHBondContact O-N 3.08Å; V536-T539 PolarHBondContact O-OG1 3.38Å; V536-K541 PolarHBondContact O-NZ 2.99Å; V536-K541 VanDerWaalsContact O-NZ 3.13Å
537P81.1Confident85.8Confident94 Ų9425.4 Ų25.461%0.6117%0.173SC*.THydrogen-bonded Turntrans-52.6143.8175.1-25.433.9000111.7T539 N654P537-T539 VanDerWaalsContact C-N 3.33Å; P537-T539 PolarHBondContact O-N 3.18Å; P537-N654 HydrophobicContact CG-CB 4.3Å
538G80.6Confident86.2Confident85 Ų8522.8 Ų22.888%0.87616%0.157SC*.THydrogen-bonded Turntrans82.1-3.2179.800000116.2G540G538-G540 PolarHBondContact O-N 2.92Å; G538-G540 VanDerWaalsContact O-N 3.14Å
539T82.9Confident86.7Confident14 Ų1422.1 Ų22.19%0.08615%0.15CC..SBendtrans-73.2-0.1178.847.70000115.4R508 V536 P537 K541R508-T539 PolarHBondContact NE-O 3.36Å; R508-T539 PolarHBondContact NH2-O 3.22Å; V536-T539 HydrophobicContact CB-CG2 4.39Å; V536-T539 HydrophobicContact CG2-CG2 3.49Å; V536-T539 VanDerWaalsContact CG2-CG2 3.49Å; V536-T539 WeakPolarHBondContact O-CB 3.31Å; V536-T539 VanDerWaalsContact O-CG2 3.3Å; V536-T539 WeakPolarHBondContact O-CG2 3.43Å; V536-T539 PolarHBondContact O-N 3.08Å; V536-T539 PolarHBondContact O-OG1 3.38Å; P537-T539 VanDerWaalsContact C-N 3.33Å; P537-T539 PolarHBondContact O-N 3.18Å; T539-K541 WeakPolarHBondContact OG1-CG 3.42Å
540G85.5Confident87Confident24 Ų2426.1 Ų26.125%0.24717%0.168CC..SBendtrans83.717.5178.500000115.2G538 V543 T544G538-G540 PolarHBondContact O-N 2.92Å; G538-G540 VanDerWaalsContact O-N 3.14Å; G540-V543 PolarHBondContact O-N 3.31Å; G540-T544 WeakPolarHBondContact O-CB 3.38Å; G540-T544 PolarHBondContact O-N 2.91Å; G540-T544 PolarHBondContact O-OG1 2.96Å
541K88.1Confident87.1Confident11 Ų1127.7 Ų27.75%0.04818%0.179CC..Hα-helixtrans-50.9-61.4179.4-55.6-173.3-63.5-77.20112.5V533 G535 V536 T539 V543 T544 I545 V652 N654 F679V533-K541 HydrophobicContact CG1-CB 4.35Å; V533-K541 HydrophobicContact CG1-CD 4.36Å; V533-K541 HydrophobicContact CG1-CG 4.45Å; G535-K541 WeakPolarHBondContact O-CE 3.2Å; G535-K541 PolarHBondContact O-NZ 2.88Å; V536-K541 PolarHBondContact O-NZ 2.99Å; V536-K541 VanDerWaalsContact O-NZ 3.13Å; T539-K541 WeakPolarHBondContact OG1-CG 3.42Å; K541-V543 VanDerWaalsContact C-N 3.34Å; K541-V543 PolarHBondContact O-N 2.92Å; K541-T544 PolarHBondContact O-N 2.78Å; K541-I545 WeakPolarHBondContact O-CG1 3.19Å; K541-I545 PolarHBondContact O-N 3.33Å; K541-V652 HydrophobicContact CB-CG1 3.95Å; K541-V652 HydrophobicContact CD-CG1 3.99Å; K541-N654 PolarHBondContact NZ-OD1 3.16Å; K541-F679 HydrophobicContact CD-CB 4.4Å; K541-F679 HydrophobicContact CG-CB 3.94Å; K541-F679 HydrophobicContact CG-CD1 4.06Å; K541-F679 HydrophobicContact CG-CD2 4Å; K541-F679 HydrophobicContact CG-CG 3.76Å
542T89.1Confident87.3Confident26 Ų2627.8 Ų27.816%0.1618%0.179CC..Hα-helixtrans-60.1-43.2-177.5-45.90000111.7T544 I545 R546 D620T542-T544 PolarHBondContact O-N 3.17Å; T542-I545 PolarHBondContact O-N 2.84Å; T542-R546 HydrophobicContact CG2-CG 4.44Å; T542-R546 WeakPolarHBondContact O-CB 3.31Å; T542-R546 WeakPolarHBondContact O-CG 3.24Å; T542-R546 PolarHBondContact O-N 2.64Å; T542-D620 WeakPolarHBondContact CB-OD2 3.27Å; T542-D620 WeakPolarHBondContact CG2-OD2 3.48Å; T542-D620 PolarHBondContact OG1-OD1 3.36Å; T542-D620 PolarHBondContact OG1-OD2 3.09Å
543V86.3Confident87.6Confident36 Ų3631.7 Ų31.722%0.21820%0.2CC..Hα-helixtrans-63.4-43.3179-1770000110.8L505 G540 K541 I545 R546 H547L505-V543 HydrophobicContact CD1-CG1 3.69Å; L505-V543 HydrophobicContact CD2-CB 4.36Å; L505-V543 HydrophobicContact CD2-CG1 3.98Å; L505-V543 HydrophobicContact CG-CG1 4.29Å; G540-V543 PolarHBondContact O-N 3.31Å; K541-V543 VanDerWaalsContact C-N 3.34Å; K541-V543 PolarHBondContact O-N 2.92Å; V543-I545 VanDerWaalsContact C-N 3.35Å; V543-I545 PolarHBondContact O-N 3.25Å; V543-R546 PolarHBondContact O-N 3.34Å; V543-H547 VanDerWaalsContact O-CB 3.24Å; V543-H547 WeakPolarHBondContact O-CB 3.42Å; V543-H547 PolarHBondContact O-N 3.23Å
544T89.6Confident87.5Confident0 Ų036.3 Ų36.30%023%0.232CC..Hα-helixtrans-62.9-42.2178.8-53.40000111.4L505 R508 Q511 F512 I515 G540 K541 T542 H547 A548 F679L505-T544 WeakPolarHBondContact CD2-OG1 3.41Å; R508-T544 HydrophobicContact CB-CG2 4.41Å; Q511-T544 HydrophobicContact CB-CG2 4.4Å; F512-T544 HydrophobicContact CB-CG2 3.88Å; I515-T544 HydrophobicContact CD1-CG2 4.13Å; G540-T544 WeakPolarHBondContact O-CB 3.38Å; G540-T544 PolarHBondContact O-N 2.91Å; G540-T544 PolarHBondContact O-OG1 2.96Å; K541-T544 PolarHBondContact O-N 2.78Å; T542-T544 PolarHBondContact O-N 3.17Å; T544-H547 PolarHBondContact O-N 3.09Å; T544-A548 PolarHBondContact O-N 3.23Å; T544-F679 HydrophobicContact CG2-CE1 4.21Å; T544-F679 HydrophobicContact CG2-CZ 3.89Å; T544-F679 WeakPolarHBondContact OG1-CE1 3.41Å
545I91.9Very high87.7Confident0 Ų039 Ų390%025%0.246CC..Hα-helixtrans-66.7-50.3177.8-65.6160.3000111I515 V533 K541 T542 V543 H547 A548 V549 L618 I650 V652I515-I545 HydrophobicContact CD1-CG1 3.74Å; I515-I545 HydrophobicContact CG2-CG1 4.47Å; V533-I545 HydrophobicContact CB-CD1 4.31Å; V533-I545 HydrophobicContact CG1-CD1 4.31Å; V533-I545 HydrophobicContact CG2-CD1 4.14Å; K541-I545 WeakPolarHBondContact O-CG1 3.19Å; K541-I545 PolarHBondContact O-N 3.33Å; T542-I545 PolarHBondContact O-N 2.84Å; V543-I545 VanDerWaalsContact C-N 3.35Å; V543-I545 PolarHBondContact O-N 3.25Å; I545-H547 PolarHBondContact O-N 3.06Å; I545-A548 WeakPolarHBondContact O-CB 3.31Å; I545-A548 PolarHBondContact O-N 2.95Å; I545-A548 VanDerWaalsContact O-N 3.08Å; I545-V549 HydrophobicContact CG2-CG2 4.37Å; I545-V549 WeakPolarHBondContact O-CG2 3.31Å; I545-V549 PolarHBondContact O-N 3.35Å; I545-L618 HydrophobicContact CD1-CD1 4.13Å; I545-L618 HydrophobicContact CG2-CD1 3.99Å; I545-L618 HydrophobicContact CG2-CD2 4Å; I545-I650 HydrophobicContact CD1-CG2 3.82Å; I545-I650 HydrophobicContact CG1-CG2 4.28Å; I545-I650 HydrophobicContact CG2-CD1 3.85Å; I545-I650 HydrophobicContact CG2-CG2 4.03Å; I545-V652 HydrophobicContact CD1-CG2 3.24Å
546R91.8Very high88Confident56 Ų5648.7 Ų48.721%0.21129%0.288CS..Hα-helixtrans-57.9-41177.5-71.8-173.3-168.2131.81.6110.9I501 T542 V543 V549 H550 E565 L618I501-R546 HydrophobicContact CD1-CB 3.89Å; T542-R546 HydrophobicContact CG2-CG 4.44Å; T542-R546 WeakPolarHBondContact O-CB 3.31Å; T542-R546 WeakPolarHBondContact O-CG 3.24Å; T542-R546 PolarHBondContact O-N 2.64Å; V543-R546 PolarHBondContact O-N 3.34Å; R546-V549 PolarHBondContact O-N 3.06Å; R546-H550 WeakPolarHBondContact O-CB 3.5Å; R546-H550 PolarHBondContact O-CD2 3.25Å; R546-H550 VanDerWaalsContact O-CD2 3.26Å; R546-H550 PolarHBondContact O-N 3.42Å; R546-E565 IonicContact CZ-OE1 3.71Å; R546-E565 IonicContact NE-OE1 2.64Å; R546-E565 PolarHBondContact NE-OE1 2.92Å; R546-E565 IonicContact NE-OE2 3.22Å; R546-E565 PolarHBondContact NE-OE2 2.85Å; R546-E565 VanDerWaalsContact NE-OE2 3.08Å; R546-E565 IonicContact NH2-OE1 3.78Å; R546-E565 PolarHBondContact NH2-OE1 2.75Å; R546-L618 HydrophobicContact CG-CD2 4.46Å
547H89.1Confident88.5Confident30 Ų3051.7 Ų51.714%0.13930%0.301CS..Hα-helixtrans-62.2-43.7175.7-170.161.3000112.1I501 P502 K503 L505 F512 V543 T544 I545 H550 S551I501-H547 HydrophobicContact CG2-CB 3.92Å; P502-H547 PolarHBondContact O-CE1 3.36Å; P502-H547 PolarHBondContact O-ND1 3.28Å; K503-H547 PolarHBondContact O-CE1 3.37Å; K503-H547 PolarHBondContact O-NE2 2.87Å; L505-H547 HydrophobicContact CD1-CB 3.97Å; F512-H547 HydrophobicContact CD2-CB 4.47Å; F512-H547 AromaticContact CD2-CD2 3.5Å; F512-H547 VanDerWaalsContact CD2-CD2 3.5Å; F512-H547 WeakPolarHBondContact CD2-CD2 3.46Å; F512-H547 HydrophobicContact CE2-CB 4.33Å; F512-H547 AromaticContact CE2-CD2 3.14Å; F512-H547 WeakPolarHBondContact CE2-CD2 3.39Å; F512-H547 AromaticContact CE2-CG 3.92Å; F512-H547 AromaticContact CE2-NE2 3.83Å; F512-H547 AromaticContact CZ-CD2 3.9Å; V543-H547 VanDerWaalsContact O-CB 3.24Å; V543-H547 WeakPolarHBondContact O-CB 3.42Å; V543-H547 PolarHBondContact O-N 3.23Å; T544-H547 PolarHBondContact O-N 3.09Å; I545-H547 PolarHBondContact O-N 3.06Å; H547-H550 PolarHBondContact O-N 2.98Å; H547-S551 WeakPolarHBondContact O-CB 3.49Å; H547-S551 PolarHBondContact O-N 2.68Å
548A91Very high88.8Confident0 Ų048.2 Ų48.20%028%0.277CS..Hα-helixtrans-61.8-45.817600000112.1F512 I515 K516 T544 I545 S551 L552F512-A548 HydrophobicContact CD2-CB 3.95Å; F512-A548 VanDerWaalsContact CE2-CA 3.44Å; F512-A548 HydrophobicContact CE2-CB 3.94Å; I515-A548 HydrophobicContact CB-CB 4.31Å; I515-A548 HydrophobicContact CG2-CB 3.77Å; K516-A548 HydrophobicContact CB-CB 4.29Å; T544-A548 PolarHBondContact O-N 3.23Å; I545-A548 WeakPolarHBondContact O-CB 3.31Å; I545-A548 PolarHBondContact O-N 2.95Å; I545-A548 VanDerWaalsContact O-N 3.08Å; A548-S551 PolarHBondContact O-N 3.21Å; A548-L552 WeakPolarHBondContact O-CG 3.26Å; A548-L552 PolarHBondContact O-N 3.01Å; A548-L552 VanDerWaalsContact O-N 3.11Å
549V93.1Very high89.3Confident0 Ų046.4 Ų46.40%025%0.25CC..Hα-helixtrans-63.9-46.8177.7174.90000111.4I519 I545 R546 S551 L552 L553 F561 Y563 V616 I650I519-V549 HydrophobicContact CD1-CG2 3.99Å; I545-V549 HydrophobicContact CG2-CG2 4.37Å; I545-V549 WeakPolarHBondContact O-CG2 3.31Å; I545-V549 PolarHBondContact O-N 3.35Å; R546-V549 PolarHBondContact O-N 3.06Å; V549-S551 VanDerWaalsContact C-N 3.31Å; V549-S551 PolarHBondContact O-N 3.09Å; V549-L552 PolarHBondContact O-N 3.44Å; V549-L552 VanDerWaalsContact O-N 3.12Å; V549-L553 HydrophobicContact CG1-CD1 4.03Å; V549-L553 HydrophobicContact CG1-CG 4.36Å; V549-L553 PolarHBondContact O-N 2.59Å; V549-F561 HydrophobicContact CG1-CE2 3.99Å; V549-F561 HydrophobicContact CG1-CZ 4.15Å; V549-Y563 HydrophobicContact CB-CD2 4.5Å; V549-Y563 HydrophobicContact CB-CE2 4.34Å; V549-Y563 HydrophobicContact CG1-CD1 4.22Å; V549-Y563 HydrophobicContact CG1-CD2 3.59Å; V549-Y563 HydrophobicContact CG1-CE1 4.49Å; V549-Y563 HydrophobicContact CG1-CE2 3.88Å; V549-Y563 HydrophobicContact CG1-CG 3.76Å; V549-Y563 HydrophobicContact CG2-CD2 4.31Å; V549-Y563 HydrophobicContact CG2-CE2 3.97Å; V549-V616 HydrophobicContact CG2-CG1 4.28Å; V549-I650 HydrophobicContact CG2-CD1 4.45Å
550H90.2Very high89.8Confident88 Ų8853.8 Ų53.841%0.40728%0.281SS..Hα-helixtrans-62.6-37.2177.6-89.5-75.9000112.6I501 R546 H547 L552 L553 S554I501-H550 VanDerWaalsContact CD1-CD2 3.47Å; I501-H550 WeakPolarHBondContact CD1-CD2 3.41Å; R546-H550 WeakPolarHBondContact O-CB 3.5Å; R546-H550 PolarHBondContact O-CD2 3.25Å; R546-H550 VanDerWaalsContact O-CD2 3.26Å; R546-H550 PolarHBondContact O-N 3.42Å; H547-H550 PolarHBondContact O-N 2.98Å; H550-L552 VanDerWaalsContact C-N 3.31Å; H550-L552 PolarHBondContact O-N 3.2Å; H550-L553 PolarHBondContact O-N 3.47Å; H550-S554 WeakPolarHBondContact O-CB 3.25Å; H550-S554 PolarHBondContact O-N 2.98Å; H550-S554 VanDerWaalsContact O-N 3.11Å; H550-S554 PolarHBondContact O-OG 2.74Å
551S89.7Confident90.2Very high33 Ų3353.4 Ų53.423%0.23127%0.272CS..Hα-helixtrans-60.8-41.1173.5-177.80000111.3K516 H547 A548 V549 S554 D555K516-S551 PolarHBondContact NZ-OG 3.27Å; H547-S551 WeakPolarHBondContact O-CB 3.49Å; H547-S551 PolarHBondContact O-N 2.68Å; A548-S551 PolarHBondContact O-N 3.21Å; V549-S551 VanDerWaalsContact C-N 3.31Å; V549-S551 PolarHBondContact O-N 3.09Å; S551-S554 PolarHBondContact O-N 2.86Å; S551-D555 PolarHBondContact O-N 3.13Å
552L92.5Very high90.4Very high2 Ų254.2 Ų54.21%0.0128%0.28CS..Hα-helixtrans-73.4-37.9178.4-67.6170.8000113K516 I519 A548 V549 H550 S554 D555 M558 F561K516-L552 HydrophobicContact CD-CD2 4.49Å; K516-L552 HydrophobicContact CG-CD1 4.29Å; K516-L552 HydrophobicContact CG-CD2 3.84Å; K516-L552 HydrophobicContact CG-CG 4.04Å; I519-L552 HydrophobicContact CB-CD1 3.64Å; I519-L552 HydrophobicContact CD1-CD1 4.29Å; I519-L552 HydrophobicContact CG2-CD1 3.51Å; A548-L552 WeakPolarHBondContact O-CG 3.26Å; A548-L552 PolarHBondContact O-N 3.01Å; A548-L552 VanDerWaalsContact O-N 3.11Å; V549-L552 PolarHBondContact O-N 3.44Å; V549-L552 VanDerWaalsContact O-N 3.12Å; H550-L552 VanDerWaalsContact C-N 3.31Å; H550-L552 PolarHBondContact O-N 3.2Å; L552-S554 PolarHBondContact O-N 2.92Å; L552-D555 PolarHBondContact O-N 3.19Å; L552-M558 HydrophobicContact CD2-CE 4.14Å; L552-M558 HydrophobicContact CD2-CG 3.97Å; L552-M558 HydrophobicContact CD2-SD 4.23Å; L552-F561 HydrophobicContact CB-CE1 4.02Å; L552-F561 HydrophobicContact CB-CZ 4.07Å
553L91.4Very high90.7Very high83 Ų8355.4 Ų55.444%0.43528%0.281SS..Hα-helixtrans-63.7-28.3174.4-75171.8000112.6V549 H550 F561V549-L553 HydrophobicContact CG1-CD1 4.03Å; V549-L553 HydrophobicContact CG1-CG 4.36Å; V549-L553 PolarHBondContact O-N 2.59Å; H550-L553 PolarHBondContact O-N 3.47Å; L553-F561 HydrophobicContact CD2-CD1 4.26Å; L553-F561 HydrophobicContact CD2-CD2 4.25Å; L553-F561 HydrophobicContact CD2-CE1 3.75Å; L553-F561 HydrophobicContact CD2-CE2 3.75Å; L553-F561 HydrophobicContact CD2-CG 4.5Å; L553-F561 HydrophobicContact CD2-CZ 3.49Å; L553-F561 VanDerWaalsContact CD2-CZ 3.49Å; L553-F561 HydrophobicContact CG-CE1 4.11Å; L553-F561 HydrophobicContact CG-CE2 4.02Å; L553-F561 HydrophobicContact CG-CZ 3.54Å
554S87.9Confident91Very high96 Ų9653.8 Ų53.867%0.67127%0.272SS*.THydrogen-bonded Turntrans-87.6-11.4179.6-520000113.2H550 S551 L552H550-S554 WeakPolarHBondContact O-CB 3.25Å; H550-S554 PolarHBondContact O-N 2.98Å; H550-S554 VanDerWaalsContact O-N 3.11Å; H550-S554 PolarHBondContact O-OG 2.74Å; S551-S554 PolarHBondContact O-N 2.86Å; L552-S554 PolarHBondContact O-N 2.92Å
555D89.9Confident91.2Very high57 Ų5756.8 Ų56.831%0.30529%0.286SS..  trans-86112.9-177.5-170.1-16.4000110.7S551 L552 N557 M558S551-D555 PolarHBondContact O-N 3.13Å; L552-D555 PolarHBondContact O-N 3.19Å; D555-N557 PolarHBondContact O-N 3Å; D555-N557 WeakPolarHBondContact OD1-CB 3.17Å; D555-N557 PolarHBondContact OD1-N 3.14Å; D555-M558 HydrophobicContact CB-CB 4.31Å; D555-M558 HydrophobicContact CB-CG 3.85Å; D555-M558 PolarHBondContact O-N 3.43Å
556K87.4Confident91.1Very high205 Ų20557 Ų5789%0.89129%0.287SS*.THydrogen-bonded Turntrans-65.1-19.8-179-66.2-175.1-179.4179.20113.5M558K556-M558 VanDerWaalsContact C-N 3.31Å
557N89.3Confident90.8Very high146 Ų14655.4 Ų55.478%0.78128%0.283SS*.THydrogen-bonded Turntrans-86.3-4.8-179.6-61.3-40.1000112.8D555D555-N557 PolarHBondContact O-N 3Å; D555-N557 WeakPolarHBondContact OD1-CB 3.17Å; D555-N557 PolarHBondContact OD1-N 3.14Å
558M88.5Confident90.4Very high20 Ų2054.3 Ų54.310%0.09928%0.279CS..SBendtrans-92.4142.2-179.9-73.2-57.8-58.500111.9L523 K524 L552 D555 K556L523-M558 HydrophobicContact CB-CE 3.88Å; L523-M558 HydrophobicContact CD1-CE 3.81Å; K524-M558 HydrophobicContact CG-CE 4.37Å; L552-M558 HydrophobicContact CD2-CE 4.14Å; L552-M558 HydrophobicContact CD2-CG 3.97Å; L552-M558 HydrophobicContact CD2-SD 4.23Å; D555-M558 HydrophobicContact CB-CB 4.31Å; D555-M558 HydrophobicContact CB-CG 3.85Å; D555-M558 PolarHBondContact O-N 3.43Å; K556-M558 VanDerWaalsContact C-N 3.31Å
559P89.6Confident89.7Confident47 Ų4759.5 Ų59.531%0.30531%0.305SS..PPolyproline II helixtrans-55.2141.5169.1-25.435000111.3
560K92.9Very high88.8Confident170 Ų17067.3 Ų67.374%0.73934%0.342SS*.PPolyproline II helixtrans-64.8141.3175.8-68.3-176.4-179.9178.20110L613K560-L613 HydrophobicContact CB-CD2 3.94Å
561F94.5Very high87.9Confident15 Ų1564.7 Ų64.77%0.06633%0.331CS..  trans-146160.5176.766.1-86.2000111L523 V549 L552 L553 P614 V616L523-F561 HydrophobicContact CD1-CD1 3.46Å; L523-F561 VanDerWaalsContact CD1-CD1 3.46Å; L523-F561 HydrophobicContact CD1-CE1 3.69Å; L523-F561 HydrophobicContact CD1-CG 4.04Å; L523-F561 HydrophobicContact CD1-CZ 4.42Å; L523-F561 HydrophobicContact CD2-CB 3.65Å; L523-F561 HydrophobicContact CD2-CD1 4.14Å; L523-F561 HydrophobicContact CD2-CG 3.98Å; L523-F561 HydrophobicContact CG-CD1 4.47Å; V549-F561 HydrophobicContact CG1-CE2 3.99Å; V549-F561 HydrophobicContact CG1-CZ 4.15Å; L552-F561 HydrophobicContact CB-CE1 4.02Å; L552-F561 HydrophobicContact CB-CZ 4.07Å; L553-F561 HydrophobicContact CD2-CD1 4.26Å; L553-F561 HydrophobicContact CD2-CD2 4.25Å; L553-F561 HydrophobicContact CD2-CE1 3.75Å; L553-F561 HydrophobicContact CD2-CE2 3.75Å; L553-F561 HydrophobicContact CD2-CG 4.5Å; L553-F561 HydrophobicContact CD2-CZ 3.49Å; L553-F561 VanDerWaalsContact CD2-CZ 3.49Å; L553-F561 HydrophobicContact CG-CE1 4.11Å; L553-F561 HydrophobicContact CG-CE2 4.02Å; L553-F561 HydrophobicContact CG-CZ 3.54Å; F561-P614 WeakPolarHBondContact CA-O 3.29Å; F561-P614 HydrophobicContact CB-CB 4.28Å; F561-P614 WeakPolarHBondContact CB-O 3.09Å; F561-V616 HydrophobicContact CD2-CB 4Å; F561-V616 HydrophobicContact CD2-CG2 3.44Å; F561-V616 VanDerWaalsContact CD2-CG2 3.44Å; F561-V616 HydrophobicContact CE2-CB 4.08Å; F561-V616 HydrophobicContact CE2-CG2 3.67Å; F561-V616 HydrophobicContact CG-CG2 4.21Å
562S93.6Very high87Confident29 Ų2971.5 Ų71.520%0.20336%0.364CS..EExtended strand (participates in β ladder)trans-95.6135.5173.7-69.50000110P614 I615 V616S562-P614 PolarHBondContact N-O 3.5Å; S562-I615 CarbonylContact O-C 3.57Å; S562-I615 WeakPolarHBondContact O-CA 3.35Å; S562-V616 PolarHBondContact O-N 3.14Å
563Y94.4Very high86.5Confident50 Ų5074.6 Ų74.620%0.19638%0.381CS..EExtended strand (participates in β ladder)trans-107.7127176.4178-120.4000110.6V549 E565 I584 V616 L618V549-Y563 HydrophobicContact CB-CD2 4.5Å; V549-Y563 HydrophobicContact CB-CE2 4.34Å; V549-Y563 HydrophobicContact CG1-CD1 4.22Å; V549-Y563 HydrophobicContact CG1-CD2 3.59Å; V549-Y563 HydrophobicContact CG1-CE1 4.49Å; V549-Y563 HydrophobicContact CG1-CE2 3.88Å; V549-Y563 HydrophobicContact CG1-CG 3.76Å; V549-Y563 HydrophobicContact CG2-CD2 4.31Å; V549-Y563 HydrophobicContact CG2-CE2 3.97Å; Y563-E565 HydrophobicContact CE1-CB 4.08Å; Y563-E565 PolarHBondContact OH-OE2 2.91Å; Y563-I584 WeakPolarHBondContact O-CD1 3.4Å; Y563-V616 WeakPolarHBondContact CA-O 3.43Å; Y563-V616 HydrophobicContact CD2-CB 4.21Å; Y563-V616 HydrophobicContact CD2-CG1 4.08Å; Y563-V616 WeakPolarHBondContact CD2-O 3.43Å; Y563-V616 HydrophobicContact CE2-CG1 4.41Å; Y563-L618 HydrophobicContact CE2-CB 3.9Å; Y563-L618 WeakPolarHBondContact OH-CD2 3.32Å
564C93.3Very high86.1Confident2 Ų271.8 Ų71.81%0.01437%0.368CS..EExtended strand (participates in β ladder)trans-121.7128.8176-177.50000109I584 I615 V616 L617 L618C564-I584 HydrophobicContact CB-CD1 3.29Å; C564-I584 WeakPolarHBondContact SG-CD1 3.27Å; C564-I615 HydrophobicContact CB-CG2 4.47Å; C564-V616 PolarHBondContact N-O 2.96Å; C564-L617 HydrophobicContact CB-CD1 3.83Å; C564-L617 CarbonylContact O-C 3.57Å; C564-L617 WeakPolarHBondContact O-CA 3.13Å; C564-L617 VanDerWaalsContact SG-CD1 3.55Å; C564-L618 PolarHBondContact O-N 3.37Å
565E92.7Very high86.2Confident63 Ų6370.6 Ų70.629%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-120.4128.5175.7-174.4172.915100109.6R546 Y563 L618R546-E565 IonicContact CZ-OE1 3.71Å; R546-E565 IonicContact NE-OE1 2.64Å; R546-E565 PolarHBondContact NE-OE1 2.92Å; R546-E565 IonicContact NE-OE2 3.22Å; R546-E565 PolarHBondContact NE-OE2 2.85Å; R546-E565 VanDerWaalsContact NE-OE2 3.08Å; R546-E565 IonicContact NH2-OE1 3.78Å; R546-E565 PolarHBondContact NH2-OE1 2.75Å; Y563-E565 HydrophobicContact CE1-CB 4.08Å; Y563-E565 PolarHBondContact OH-OE2 2.91Å; E565-L618 WeakPolarHBondContact CA-O 3.46Å; E565-L618 HydrophobicContact CB-CB 4.47Å; E565-L618 HydrophobicContact CG-CB 4.23Å; E565-L618 HydrophobicContact CG-CD2 3.95Å; E565-L618 HydrophobicContact CG-CG 4.16Å
566V90Very high86.1Confident5 Ų569.7 Ų69.73%0.0335%0.348CS..EExtended strand (participates in β ladder)trans-129.5119.3175.1-175.80000108.8V571 V577 E580 L617 L618 M619 D620V566-V571 HydrophobicContact CG1-CG2 3.65Å; V566-V577 HydrophobicContact CB-CG2 4.36Å; V566-V577 HydrophobicContact CG1-CG2 3.79Å; V566-V577 HydrophobicContact CG2-CG1 4.35Å; V566-V577 HydrophobicContact CG2-CG2 4.43Å; V566-E580 HydrophobicContact CG2-CB 4.01Å; V566-E580 HydrophobicContact CG2-CG 4.3Å; V566-L617 HydrophobicContact CG2-CD1 4.19Å; V566-L618 PolarHBondContact N-O 2.81Å; V566-M619 CarbonylContact O-C 3.47Å; V566-M619 WeakPolarHBondContact O-CA 3.18Å; V566-D620 PolarHBondContact O-N 2.8Å
567N86.6Confident86.2Confident22 Ų2259.9 Ų59.912%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-97.8125176.9-175.2-52.2000110.4M569 Q570 D620N567-M569 PolarHBondContact O-N 2.92Å; N567-M569 WeakPolarHBondContact OD1-CB 3.33Å; N567-M569 PolarHBondContact OD1-N 2.86Å; N567-Q570 HydrophobicContact CB-CB 4.41Å; N567-Q570 HydrophobicContact CB-CG 4.17Å; N567-Q570 PolarHBondContact O-N 3.32Å; N567-D620 HydrophobicContact CB-CB 4.46Å
568G80.2Confident86.3Confident7 Ų753.2 Ų53.27%0.07227%0.269CS..THydrogen-bonded Turntrans-58-28.1-178.400000115.2D620G568-D620 PolarHBondContact N-O 3.42Å
569M76.6Confident86.3Confident109 Ų10953.9 Ų53.954%0.53727%0.273SS..THydrogen-bonded Turntrans-72.9-29.4174.5-77.1-68.4-7200113.4N567 V571 E621 L624N567-M569 PolarHBondContact O-N 2.92Å; N567-M569 WeakPolarHBondContact OD1-CB 3.33Å; N567-M569 PolarHBondContact OD1-N 2.86Å; M569-V571 VanDerWaalsContact C-N 3.32Å; M569-E621 WeakPolarHBondContact CG-OE2 3.38Å; M569-L624 HydrophobicContact CB-CD1 4.28Å; M569-L624 HydrophobicContact CG-CD1 3.32Å; M569-L624 HydrophobicContact SD-CD1 3.34Å; M569-L624 WeakPolarHBondContact SD-CD1 3.33Å
570Q73.8Confident86.2Confident165 Ų16555 Ų5577%0.77127%0.274SS*.THydrogen-bonded Turntrans-86.8-7.2-173.7-65.1-178-12.100112.6N567N567-Q570 HydrophobicContact CB-CB 4.41Å; N567-Q570 HydrophobicContact CB-CG 4.17Å; N567-Q570 PolarHBondContact O-N 3.32Å
571V71.9Confident86.1Confident32 Ų3246.9 Ų46.919%0.19424%0.239CC..  trans-114.7113-171.1179.80000111.2V566 M569 D573 C576 L625V566-V571 HydrophobicContact CG1-CG2 3.65Å; M569-V571 VanDerWaalsContact C-N 3.32Å; V571-D573 WeakPolarHBondContact CG1-O 3.44Å; V571-C576 HydrophobicContact CG1-CB 3.69Å; V571-L625 HydrophobicContact CB-CD2 4.31Å; V571-L625 HydrophobicContact CG1-CD2 4.47Å
572L69.2Low85.9Confident176 Ų17646.2 Ų46.292%0.92124%0.236SC*.SBendtrans-68.6-33.6178.5-74.3160.8000113.8
573D82.9Confident85.6Confident68 Ų6852.6 Ų52.636%0.36426%0.256SS..SBendtrans-125.9118.4175.6177.7-2.2000109.5V571 K575 C576V571-D573 WeakPolarHBondContact CG1-O 3.44Å; D573-K575 PolarHBondContact O-N 3.45Å; D573-K575 WeakPolarHBondContact OD1-CB 3.37Å; D573-K575 WeakPolarHBondContact OD1-CG 3.21Å; D573-K575 PolarHBondContact OD1-N 3.12Å; D573-C576 WeakPolarHBondContact O-CB 3.13Å; D573-C576 PolarHBondContact O-N 2.99Å; D573-C576 PolarHBondContact O-SG 3.25Å; D573-C576 VanDerWaalsContact O-SG 3.4Å
574P83.6Confident85.2Confident23 Ų2352.8 Ų52.815%0.14926%0.26CS..G310 helixtrans-51.9-24.7178.7-2834.9000114.9C576 V577 L625 V632P574-C576 PolarHBondContact O-N 3.33Å; P574-V577 VanDerWaalsContact O-CG2 3.27Å; P574-V577 WeakPolarHBondContact O-CG2 3.49Å; P574-V577 PolarHBondContact O-N 3.18Å; P574-L625 HydrophobicContact CB-CB 4.36Å; P574-L625 HydrophobicContact CB-CD2 4.22Å; P574-L625 WeakPolarHBondContact CB-O 3.48Å; P574-L625 HydrophobicContact CG-CD2 4.48Å; P574-L625 VanDerWaalsContact CG-O 3.28Å; P574-L625 WeakPolarHBondContact CG-O 3.23Å; P574-V632 HydrophobicContact CB-CG2 4.2Å
575K88.3Confident84.7Confident71 Ų7155.4 Ų55.431%0.30927%0.273SS..G310 helixtrans-65.5-17.5175.9-63.8-175.8174.9-166.10113.8D573 V577 Y578 T594 D595 V632D573-K575 PolarHBondContact O-N 3.45Å; D573-K575 WeakPolarHBondContact OD1-CB 3.37Å; D573-K575 WeakPolarHBondContact OD1-CG 3.21Å; D573-K575 PolarHBondContact OD1-N 3.12Å; K575-V577 PolarHBondContact O-N 2.81Å; K575-Y578 HydrophobicContact CB-CD2 4.2Å; K575-Y578 HydrophobicContact CB-CE2 4.2Å; K575-Y578 HydrophobicContact CG-CE2 4.35Å; K575-Y578 WeakPolarHBondContact O-CB 3.46Å; K575-Y578 WeakPolarHBondContact O-CD2 3.42Å; K575-Y578 PolarHBondContact O-N 3.19Å; K575-Y578 VanDerWaalsContact O-N 3.13Å; K575-T594 HydrophobicContact CB-CG2 3.82Å; K575-D595 IonicContact NZ-OD1 2.81Å; K575-D595 PolarHBondContact NZ-OD1 3.26Å; K575-D595 IonicContact NZ-OD2 3.24Å; K575-V632 HydrophobicContact CG-CG2 4.11Å
576C88.2Confident84.2Confident38 Ų3857 Ų5726%0.25728%0.279SS..G310 helixtrans-63.1-18.6176.9-670000113V571 D573 P574 Y578 L579 E580V571-C576 HydrophobicContact CG1-CB 3.69Å; D573-C576 WeakPolarHBondContact O-CB 3.13Å; D573-C576 PolarHBondContact O-N 2.99Å; D573-C576 PolarHBondContact O-SG 3.25Å; D573-C576 VanDerWaalsContact O-SG 3.4Å; P574-C576 PolarHBondContact O-N 3.33Å; C576-Y578 PolarHBondContact O-N 2.98Å; C576-L579 WeakPolarHBondContact O-CB 3.5Å; C576-L579 PolarHBondContact O-N 3.03Å; C576-E580 PolarHBondContact O-N 3.34Å
577V89.4Confident83.3Confident0 Ų065.9 Ų65.90%032%0.317CS..Hα-helixtrans-51.6-38.9170.8176.60000111.2V566 P574 K575 L579 E580 M581 L617 L625 L636V566-V577 HydrophobicContact CB-CG2 4.36Å; V566-V577 HydrophobicContact CG1-CG2 3.79Å; V566-V577 HydrophobicContact CG2-CG1 4.35Å; V566-V577 HydrophobicContact CG2-CG2 4.43Å; P574-V577 VanDerWaalsContact O-CG2 3.27Å; P574-V577 WeakPolarHBondContact O-CG2 3.49Å; P574-V577 PolarHBondContact O-N 3.18Å; K575-V577 PolarHBondContact O-N 2.81Å; V577-L579 VanDerWaalsContact C-N 3.29Å; V577-L579 PolarHBondContact O-N 2.65Å; V577-E580 PolarHBondContact O-N 2.9Å; V577-M581 HydrophobicContact CG1-CG 4.41Å; V577-M581 HydrophobicContact CG1-SD 4.08Å; V577-M581 WeakPolarHBondContact O-CG 3.48Å; V577-M581 PolarHBondContact O-N 3.11Å; V577-L617 HydrophobicContact CG1-CD2 4.26Å; V577-L625 HydrophobicContact CG2-CD1 4.26Å; V577-L636 HydrophobicContact CG1-CD1 3.76Å; V577-L636 HydrophobicContact CG1-CD2 4.16Å
578Y91.5Very high82.5Confident5 Ų572 Ų722%0.0235%0.349CS..Hα-helixtrans-63.9-35.5178.5-53.6-44.9000112.5K575 C576 V582 R598 L601 V632 L636 W639K575-Y578 HydrophobicContact CB-CD2 4.2Å; K575-Y578 HydrophobicContact CB-CE2 4.2Å; K575-Y578 HydrophobicContact CG-CE2 4.35Å; K575-Y578 WeakPolarHBondContact O-CB 3.46Å; K575-Y578 WeakPolarHBondContact O-CD2 3.42Å; K575-Y578 PolarHBondContact O-N 3.19Å; K575-Y578 VanDerWaalsContact O-N 3.13Å; C576-Y578 PolarHBondContact O-N 2.98Å; Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.38Å; Y578-V582 PolarHBondContact O-N 2.82Å; Y578-R598 HydrophobicContact CD1-CG 4.48Å; Y578-R598 HydrophobicContact CD2-CB 3.77Å; Y578-R598 HydrophobicContact CD2-CG 4.2Å; Y578-R598 HydrophobicContact CE1-CG 4.18Å; Y578-R598 HydrophobicContact CE2-CB 3.92Å; Y578-R598 HydrophobicContact CE2-CG 3.88Å; Y578-R598 HydrophobicContact CG-CB 4.09Å; Y578-R598 HydrophobicContact CG-CG 4.48Å; Y578-L601 HydrophobicContact CD1-CD1 3.93Å; Y578-L601 HydrophobicContact CG-CD1 4.3Å; Y578-V632 HydrophobicContact CE1-CG1 4.38Å; Y578-V632 HydrophobicContact CE2-CG2 4.3Å; Y578-V632 WeakPolarHBondContact OH-CA 3.27Å; Y578-L636 HydrophobicContact CE1-CD2 4.39Å; Y578-W639 HydrophobicContact CD1-CH2 4.06Å; Y578-W639 AromaticContact CD1-CZ3 3.95Å; Y578-W639 HydrophobicContact CD1-CZ3 3.95Å; Y578-W639 AromaticContact CE1-CH2 3.92Å; Y578-W639 HydrophobicContact CE1-CH2 3.92Å; Y578-W639 AromaticContact CE1-CZ3 3.83Å; Y578-W639 HydrophobicContact CE1-CZ3 3.83Å
579L89.3Confident82Confident35 Ų3575.4 Ų75.418%0.18336%0.36CS..Hα-helixtrans-69.2-43.5178.7-68.6170.2000110.8C576 V577 M581 V582 R583 T594 A597C576-L579 WeakPolarHBondContact O-CB 3.5Å; C576-L579 PolarHBondContact O-N 3.03Å; V577-L579 VanDerWaalsContact C-N 3.29Å; V577-L579 PolarHBondContact O-N 2.65Å; L579-M581 PolarHBondContact O-N 3.41Å; L579-V582 PolarHBondContact O-N 3.26Å; L579-R583 VanDerWaalsContact O-CB 3.3Å; L579-R583 WeakPolarHBondContact O-CB 3.27Å; L579-R583 PolarHBondContact O-N 2.84Å; L579-T594 HydrophobicContact CD1-CG2 3.71Å; L579-T594 HydrophobicContact CG-CG2 4.08Å; L579-A597 HydrophobicContact CD2-CB 3.85Å; L579-A597 HydrophobicContact CG-CB 4.39Å
580E87.9Confident81.2Confident69 Ų6979 Ų7932%0.32237%0.373SS..Hα-helixtrans-63.9-41.1177.9-66.9-53.2139.900112V566 C576 V577 R583 I584V566-E580 HydrophobicContact CG2-CB 4.01Å; V566-E580 HydrophobicContact CG2-CG 4.3Å; C576-E580 PolarHBondContact O-N 3.34Å; V577-E580 PolarHBondContact O-N 2.9Å; E580-R583 PolarHBondContact O-N 3.43Å; E580-R583 IonicContact OE2-NH1 3Å; E580-I584 PolarHBondContact O-N 2.74Å
581M90.6Very high80.6Confident0 Ų077.8 Ų77.80%037%0.365CS..Hα-helixtrans-61.6-47.3174.2-68.5176.574.800112.1V577 L579 R583 I584 M585 L601 F605 L617 L636 L647V577-M581 HydrophobicContact CG1-CG 4.41Å; V577-M581 HydrophobicContact CG1-SD 4.08Å; V577-M581 WeakPolarHBondContact O-CG 3.48Å; V577-M581 PolarHBondContact O-N 3.11Å; L579-M581 PolarHBondContact O-N 3.41Å; M581-R583 VanDerWaalsContact C-N 3.32Å; M581-R583 PolarHBondContact O-N 3.08Å; M581-I584 PolarHBondContact O-N 3Å; M581-M585 WeakPolarHBondContact O-CG 3.48Å; M581-M585 PolarHBondContact O-N 3.43Å; M581-M585 VanDerWaalsContact O-N 3.07Å; M581-L601 HydrophobicContact CB-CD1 4.04Å; M581-L601 HydrophobicContact CB-CD2 4.05Å; M581-L601 HydrophobicContact CE-CD2 4.43Å; M581-L601 HydrophobicContact SD-CD1 4.2Å; M581-F605 HydrophobicContact CE-CE2 3.69Å; M581-F605 HydrophobicContact CE-CZ 3.66Å; M581-L617 HydrophobicContact CE-CD2 4.36Å; M581-L617 HydrophobicContact CG-CD1 4.25Å; M581-L617 HydrophobicContact SD-CD2 3.89Å; M581-L636 HydrophobicContact CE-CD2 4.31Å; M581-L636 HydrophobicContact SD-CD2 3.57Å; M581-L636 VanDerWaalsContact SD-CD2 3.57Å; M581-L647 HydrophobicContact CE-CD1 3.74Å; M581-L647 HydrophobicContact CE-CD2 4Å
582V89.9Confident80.3Confident1 Ų186 Ų861%0.00640%0.398CS..Hα-helixtrans-63.9-38.9178.9171.20000111.2Y578 L579 I584 M585 K586 W589 A597 L600 L601Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.38Å; Y578-V582 PolarHBondContact O-N 2.82Å; L579-V582 PolarHBondContact O-N 3.26Å; V582-I584 VanDerWaalsContact C-N 3.26Å; V582-I584 PolarHBondContact O-N 2.89Å; V582-M585 PolarHBondContact O-N 3.36Å; V582-K586 PolarHBondContact O-N 3.37Å; V582-W589 HydrophobicContact CG1-CB 3.97Å; V582-W589 HydrophobicContact CG1-CD2 3.66Å; V582-W589 HydrophobicContact CG1-CE3 4.38Å; V582-W589 HydrophobicContact CG1-CG 3.44Å; V582-W589 VanDerWaalsContact CG1-CG 3.44Å; V582-A597 HydrophobicContact CG2-CB 3.97Å; V582-L600 HydrophobicContact CG1-CD2 3.87Å; V582-L600 HydrophobicContact CG2-CD2 4.17Å; V582-L601 HydrophobicContact CG2-CD1 4.09Å; V582-L601 HydrophobicContact CG2-CD2 3.88Å; V582-L601 HydrophobicContact CG2-CG 3.69Å
583R87.4Confident81.2Confident163 Ų16379.9 Ų79.962%0.61537%0.37SS*.Hα-helixtrans-58.9-38.5178.1-174.9-179.1-174.9177.11.4112.2L579 E580 M581 K586L579-R583 VanDerWaalsContact O-CB 3.3Å; L579-R583 WeakPolarHBondContact O-CB 3.27Å; L579-R583 PolarHBondContact O-N 2.84Å; E580-R583 PolarHBondContact O-N 3.43Å; E580-R583 IonicContact OE2-NH1 3Å; M581-R583 VanDerWaalsContact C-N 3.32Å; M581-R583 PolarHBondContact O-N 3.08Å; R583-K586 CarbonylContact O-C 3.35Å
584I86.1Confident81.4Confident54 Ų5477.6 Ų77.628%0.27736%0.359SS..Hα-helixtrans-75.5-37.2177.8-71162.3000111.5Y563 C564 E580 M581 V582Y563-I584 WeakPolarHBondContact O-CD1 3.4Å; C564-I584 HydrophobicContact CB-CD1 3.29Å; C564-I584 WeakPolarHBondContact SG-CD1 3.27Å; E580-I584 PolarHBondContact O-N 2.74Å; M581-I584 PolarHBondContact O-N 3Å; V582-I584 VanDerWaalsContact C-N 3.26Å; V582-I584 PolarHBondContact O-N 2.89Å
585M82.5Confident81.7Confident58 Ų5880 Ų8029%0.28637%0.37SS..Hα-helixtrans-71.7-37.9177.5-68.617774.100113M581 V582 L601 T604 F605 I615M581-M585 WeakPolarHBondContact O-CG 3.48Å; M581-M585 PolarHBondContact O-N 3.43Å; M581-M585 VanDerWaalsContact O-N 3.07Å; V582-M585 PolarHBondContact O-N 3.36Å; M585-L601 HydrophobicContact SD-CD2 3.51Å; M585-L601 VanDerWaalsContact SD-CD2 3.51Å; M585-T604 HydrophobicContact CE-CG2 3.41Å; M585-T604 VanDerWaalsContact CE-CG2 3.41Å; M585-F605 HydrophobicContact CE-CE1 4.26Å; M585-F605 HydrophobicContact SD-CE1 4.36Å; M585-F605 HydrophobicContact SD-CZ 4.21Å; M585-I615 HydrophobicContact CE-CD1 4.19Å; M585-I615 HydrophobicContact CG-CD1 3.47Å; M585-I615 VanDerWaalsContact CG-CD1 3.47Å; M585-I615 HydrophobicContact SD-CD1 3.48Å; M585-I615 WeakPolarHBondContact SD-CD1 3.42Å
586K82.1Confident81.7Confident97 Ų9780.5 Ų80.542%0.42238%0.376SS..  trans-129.292.9-177-68.5-166.8177.8-173.20109V582 R583 D588 W589 L600V582-K586 PolarHBondContact O-N 3.37Å; R583-K586 CarbonylContact O-C 3.35Å; K586-D588 PolarHBondContact O-N 3.06Å; K586-W589 HydrophobicContact CB-CB 4Å; K586-W589 HydrophobicContact CD-CE3 4.03Å; K586-W589 VanDerWaalsContact O-CB 3.3Å; K586-W589 WeakPolarHBondContact O-CB 3.38Å; K586-W589 PolarHBondContact O-N 2.78Å; K586-L600 HydrophobicContact CD-CD2 4.23Å
587K71.8Confident81.8Confident190 Ų19078.7 Ų78.783%0.82636%0.364SS*.THydrogen-bonded Turntrans-54.1-29.4-178.2-67.4-174.4177.8-1780113.6
588D69.1Low82Confident151 Ų15182.3 Ų82.381%0.80738%0.378SS*.THydrogen-bonded Turntrans-94.28.5-178.2-54.6-46.8000114.5K586 K590K586-D588 PolarHBondContact O-N 3.06Å; D588-K590 PolarHBondContact O-N 2.76Å
589W69.1Low81.9Confident79 Ų7987.7 Ų87.730%0.29940%0.402SS..  trans-68.8120.8-175-174-98.9000112.5V582 K586 F591 L600V582-W589 HydrophobicContact CG1-CB 3.97Å; V582-W589 HydrophobicContact CG1-CD2 3.66Å; V582-W589 HydrophobicContact CG1-CE3 4.38Å; V582-W589 HydrophobicContact CG1-CG 3.44Å; V582-W589 VanDerWaalsContact CG1-CG 3.44Å; K586-W589 HydrophobicContact CB-CB 4Å; K586-W589 HydrophobicContact CD-CE3 4.03Å; K586-W589 VanDerWaalsContact O-CB 3.3Å; K586-W589 WeakPolarHBondContact O-CB 3.38Å; K586-W589 PolarHBondContact O-N 2.78Å; W589-F591 HydrophobicContact CH2-CD2 4.28Å; W589-F591 HydrophobicContact CZ2-CB 4.19Å; W589-F591 HydrophobicContact CZ2-CD2 4.03Å; W589-L600 HydrophobicContact CD2-CD2 4.48Å; W589-L600 HydrophobicContact CE3-CD2 4.12Å; W589-L600 HydrophobicContact CH2-CD2 3.81Å; W589-L600 HydrophobicContact CZ2-CD2 4.19Å; W589-L600 HydrophobicContact CZ3-CD2 3.78Å
590K60.6Low82Confident184 Ų18487.4 Ų87.480%0.840%0.4SS*.  trans-122.968.5-179.3-66.9-175-177.7179.70112.4D588D588-K590 PolarHBondContact O-N 2.76Å
591F61.9Low82.2Confident140 Ų14084.1 Ų84.161%0.61439%0.385SS*.  trans-147.1138.4167.5-69.8-74.5000112.8W589W589-F591 HydrophobicContact CH2-CD2 4.28Å; W589-F591 HydrophobicContact CZ2-CB 4.19Å; W589-F591 HydrophobicContact CZ2-CD2 4.03Å
592K66Low82.3Confident203 Ų20386.8 Ų86.888%0.88340%0.399SS*.  trans-87-5-172-64.9-177.2178.6-179.30115.7
593S86.2Confident82.3Confident48 Ų4892.3 Ų92.334%0.33643%0.425SS..  trans-87.1121.2-173.61760000112.2D595 N596 A597S593-D595 VanDerWaalsContact C-N 3.32Å; S593-D595 PolarHBondContact O-N 2.68Å; S593-D595 PolarHBondContact OG-N 2.96Å; S593-N596 PolarHBondContact O-N 2.94Å; S593-A597 PolarHBondContact O-N 2.97Å; S593-A597 VanDerWaalsContact O-N 3.16Å
594T88.5Confident82.4Confident21 Ų2186 Ų8613%0.12940%0.404CS..Hα-helixtrans-66.5-31.1176.854.20000113K575 L579 R598K575-T594 HydrophobicContact CB-CG2 3.82Å; L579-T594 HydrophobicContact CD1-CG2 3.71Å; L579-T594 HydrophobicContact CG-CG2 4.08Å; T594-R598 WeakPolarHBondContact O-CB 3.25Å; T594-R598 PolarHBondContact O-N 3.42Å
595D88.4Confident82.7Confident72 Ų7283.4 Ų83.439%0.38539%0.391SS..Hα-helixtrans-74.2-33.7179.7-68.2-37.6000112.1K575 S593 K599K575-D595 IonicContact NZ-OD1 2.81Å; K575-D595 PolarHBondContact NZ-OD1 3.26Å; K575-D595 IonicContact NZ-OD2 3.24Å; S593-D595 VanDerWaalsContact C-N 3.32Å; S593-D595 PolarHBondContact O-N 2.68Å; S593-D595 PolarHBondContact OG-N 2.96Å; D595-K599 WeakPolarHBondContact O-CG 3.14Å; D595-K599 PolarHBondContact O-N 3.24Å
596N88.6Confident82.9Confident82 Ų8283.8 Ų83.844%0.43940%0.399SS..Hα-helixtrans-70-41.8172.7-73.9-7.6000111.3S593 R598 K599 L600S593-N596 PolarHBondContact O-N 2.94Å; N596-R598 VanDerWaalsContact C-N 3.29Å; N596-R598 PolarHBondContact O-N 3.41Å; N596-K599 PolarHBondContact O-N 3.21Å; N596-L600 PolarHBondContact O-N 3.24Å
597A90.7Very high83Confident0 Ų085.8 Ų85.80%041%0.408CS..Hα-helixtrans-58-44.4173.900000111.2L579 V582 S593 K599 L600 L601L579-A597 HydrophobicContact CD2-CB 3.85Å; L579-A597 HydrophobicContact CG-CB 4.39Å; V582-A597 HydrophobicContact CG2-CB 3.97Å; S593-A597 PolarHBondContact O-N 2.97Å; S593-A597 VanDerWaalsContact O-N 3.16Å; A597-K599 PolarHBondContact O-N 2.96Å; A597-L600 PolarHBondContact O-N 3.26Å; A597-L601 WeakPolarHBondContact O-CG 3.43Å; A597-L601 PolarHBondContact O-N 3.49Å
598R93.2Very high83.5Confident77 Ų7782.2 Ų82.229%0.29140%0.401SS..Hα-helixtrans-60.6-45175.3-168.8-171.76780.64.2112.7Y578 T594 N596 L601 N602 W639Y578-R598 HydrophobicContact CD1-CG 4.48Å; Y578-R598 HydrophobicContact CD2-CB 3.77Å; Y578-R598 HydrophobicContact CD2-CG 4.2Å; Y578-R598 HydrophobicContact CE1-CG 4.18Å; Y578-R598 HydrophobicContact CE2-CB 3.92Å; Y578-R598 HydrophobicContact CE2-CG 3.88Å; Y578-R598 HydrophobicContact CG-CB 4.09Å; Y578-R598 HydrophobicContact CG-CG 4.48Å; T594-R598 WeakPolarHBondContact O-CB 3.25Å; T594-R598 PolarHBondContact O-N 3.42Å; N596-R598 VanDerWaalsContact C-N 3.29Å; N596-R598 PolarHBondContact O-N 3.41Å; R598-L601 PolarHBondContact O-N 3.03Å; R598-N602 WeakPolarHBondContact O-CB 3.31Å; R598-N602 PolarHBondContact O-N 2.85Å; R598-W639 HydrophobicContact CG-CH2 4.07Å; R598-W639 HydrophobicContact CG-CZ2 4.41Å
599K90.7Very high84.3Confident118 Ų11878.2 Ų78.251%0.51338%0.38SS..Hα-helixtrans-60.1-46.9177.7-77.3178.4176.6-178.80111.4D595 N596 A597 L601 N602 E603D595-K599 WeakPolarHBondContact O-CG 3.14Å; D595-K599 PolarHBondContact O-N 3.24Å; N596-K599 PolarHBondContact O-N 3.21Å; A597-K599 PolarHBondContact O-N 2.96Å; K599-L601 PolarHBondContact O-N 2.9Å; K599-N602 WeakPolarHBondContact O-CB 3.45Å; K599-N602 PolarHBondContact O-N 2.98Å; K599-E603 PolarHBondContact O-N 3Å
600L90.4Very high84.9Confident28 Ų2885.1 Ų85.115%0.14741%0.406CS..Hα-helixtrans-60.3-45.8177.6177.965.9000111.9V582 K586 W589 N596 A597 N602 E603 T604V582-L600 HydrophobicContact CG1-CD2 3.87Å; V582-L600 HydrophobicContact CG2-CD2 4.17Å; K586-L600 HydrophobicContact CD-CD2 4.23Å; W589-L600 HydrophobicContact CD2-CD2 4.48Å; W589-L600 HydrophobicContact CE3-CD2 4.12Å; W589-L600 HydrophobicContact CH2-CD2 3.81Å; W589-L600 HydrophobicContact CZ2-CD2 4.19Å; W589-L600 HydrophobicContact CZ3-CD2 3.78Å; N596-L600 PolarHBondContact O-N 3.24Å; A597-L600 PolarHBondContact O-N 3.26Å; L600-N602 VanDerWaalsContact C-N 3.31Å; L600-N602 PolarHBondContact O-N 3.11Å; L600-E603 PolarHBondContact O-N 3.06Å; L600-T604 WeakPolarHBondContact O-CB 3.49Å; L600-T604 PolarHBondContact O-N 3.23Å; L600-T604 PolarHBondContact O-OG1 2.76Å
601L92.5Very high86.2Confident1 Ų187.4 Ų87.41%0.00541%0.41CS..Hα-helixtrans-60.7-42.4176.1-72.2169.6000111.2Y578 M581 V582 M585 A597 R598 K599 T604 F605 W639Y578-L601 HydrophobicContact CD1-CD1 3.93Å; Y578-L601 HydrophobicContact CG-CD1 4.3Å; M581-L601 HydrophobicContact CB-CD1 4.04Å; M581-L601 HydrophobicContact CB-CD2 4.05Å; M581-L601 HydrophobicContact CE-CD2 4.43Å; M581-L601 HydrophobicContact SD-CD1 4.2Å; V582-L601 HydrophobicContact CG2-CD1 4.09Å; V582-L601 HydrophobicContact CG2-CD2 3.88Å; V582-L601 HydrophobicContact CG2-CG 3.69Å; M585-L601 HydrophobicContact SD-CD2 3.51Å; M585-L601 VanDerWaalsContact SD-CD2 3.51Å; A597-L601 WeakPolarHBondContact O-CG 3.43Å; A597-L601 PolarHBondContact O-N 3.49Å; R598-L601 PolarHBondContact O-N 3.03Å; K599-L601 PolarHBondContact O-N 2.9Å; L601-T604 PolarHBondContact O-N 3.38Å; L601-F605 HydrophobicContact CB-CD2 4.21Å; L601-F605 HydrophobicContact CB-CE2 4.05Å; L601-F605 HydrophobicContact CD2-CE2 3.82Å; L601-F605 HydrophobicContact CD2-CZ 3.94Å; L601-F605 HydrophobicContact CG-CE2 4.44Å; L601-F605 WeakPolarHBondContact O-CB 3.48Å; L601-F605 VanDerWaalsContact O-CD2 3.27Å; L601-F605 WeakPolarHBondContact O-CD2 3.39Å; L601-F605 WeakPolarHBondContact O-CG 3.48Å; L601-F605 PolarHBondContact O-N 3.16Å; L601-W639 HydrophobicContact CB-CH2 3.47Å; L601-W639 VanDerWaalsContact CB-CH2 3.47Å; L601-W639 HydrophobicContact CB-CZ2 3.86Å; L601-W639 HydrophobicContact CB-CZ3 3.95Å; L601-W639 HydrophobicContact CD1-CH2 3.96Å; L601-W639 HydrophobicContact CD1-CZ3 3.92Å; L601-W639 HydrophobicContact CG-CH2 4.38Å
602N92.9Very high87.4Confident56 Ų5681.9 Ų81.930%0.29939%0.385SS..Hα-helixtrans-62.1-48.1178.3-153.457.5000111.7R598 K599 L600 T604 F605 S606 W639R598-N602 WeakPolarHBondContact O-CB 3.31Å; R598-N602 PolarHBondContact O-N 2.85Å; K599-N602 WeakPolarHBondContact O-CB 3.45Å; K599-N602 PolarHBondContact O-N 2.98Å; L600-N602 VanDerWaalsContact C-N 3.31Å; L600-N602 PolarHBondContact O-N 3.11Å; N602-T604 PolarHBondContact O-N 2.65Å; N602-F605 PolarHBondContact O-N 3.24Å; N602-S606 WeakPolarHBondContact O-CB 3.32Å; N602-S606 PolarHBondContact O-N 3.04Å; N602-S606 PolarHBondContact O-OG 2.75Å; N602-W639 HydrophobicContact CB-CZ2 3.98Å; N602-W639 PolarHBondContact OD1-NE1 3.28Å
603E90Very high88.6Confident117 Ų11776 Ų7655%0.54736%0.363SS..Hα-helixtrans-62-33.8175.9-72.6172.2-163.300112.7K599 L600 K607K599-E603 PolarHBondContact O-N 3Å; L600-E603 PolarHBondContact O-N 3.06Å; E603-K607 WeakPolarHBondContact O-CG 3.48Å
604T89.9Confident88.9Confident30 Ų3074.1 Ų74.118%0.18435%0.349CS..Hα-helixtrans-73.5-49.4180-53.40000110.6M585 L600 L601 N602 S606 K607 R612M585-T604 HydrophobicContact CE-CG2 3.41Å; M585-T604 VanDerWaalsContact CE-CG2 3.41Å; L600-T604 WeakPolarHBondContact O-CB 3.49Å; L600-T604 PolarHBondContact O-N 3.23Å; L600-T604 PolarHBondContact O-OG1 2.76Å; L601-T604 PolarHBondContact O-N 3.38Å; N602-T604 PolarHBondContact O-N 2.65Å; T604-S606 PolarHBondContact O-N 2.99Å; T604-K607 PolarHBondContact O-N 3.43Å; T604-R612 VanDerWaalsContact O-CZ 3.28Å; T604-R612 PolarHBondContact O-NH1 3.04Å; T604-R612 PolarHBondContact O-NH2 2.88Å
605F91.6Very high89.2Confident0 Ų073.3 Ų73.30%034%0.344CS..Hα-helixtrans-72.2-25.3-176.4-66.8-36.1000113.8M581 M585 L601 N602 K607 I615 W639 E644 A645 L647M581-F605 HydrophobicContact CE-CE2 3.69Å; M581-F605 HydrophobicContact CE-CZ 3.66Å; M585-F605 HydrophobicContact CE-CE1 4.26Å; M585-F605 HydrophobicContact SD-CE1 4.36Å; M585-F605 HydrophobicContact SD-CZ 4.21Å; L601-F605 HydrophobicContact CB-CD2 4.21Å; L601-F605 HydrophobicContact CB-CE2 4.05Å; L601-F605 HydrophobicContact CD2-CE2 3.82Å; L601-F605 HydrophobicContact CD2-CZ 3.94Å; L601-F605 HydrophobicContact CG-CE2 4.44Å; L601-F605 WeakPolarHBondContact O-CB 3.48Å; L601-F605 VanDerWaalsContact O-CD2 3.27Å; L601-F605 WeakPolarHBondContact O-CD2 3.39Å; L601-F605 WeakPolarHBondContact O-CG 3.48Å; L601-F605 PolarHBondContact O-N 3.16Å; N602-F605 PolarHBondContact O-N 3.24Å; F605-K607 VanDerWaalsContact C-N 3.27Å; F605-K607 PolarHBondContact O-N 2.92Å; F605-I615 HydrophobicContact CE1-CD1 4.1Å; F605-I615 HydrophobicContact CZ-CD1 4.08Å; F605-W639 HydrophobicContact CB-CG 4.34Å; F605-W639 HydrophobicContact CD2-CB 4Å; F605-W639 AromaticContact CD2-CD1 3.99Å; F605-W639 AromaticContact CD2-CD2 3.48Å; F605-W639 HydrophobicContact CD2-CD2 3.48Å; F605-W639 VanDerWaalsContact CD2-CD2 3.48Å; F605-W639 AromaticContact CD2-CE2 3.88Å; F605-W639 AromaticContact CD2-CE3 3.78Å; F605-W639 HydrophobicContact CD2-CE3 3.78Å; F605-W639 AromaticContact CD2-CG 3.59Å; F605-W639 HydrophobicContact CD2-CG 3.59Å; F605-W639 HydrophobicContact CD2-CZ3 4.43Å; F605-W639 AromaticContact CE2-CD2 3.95Å; F605-W639 HydrophobicContact CE2-CD2 3.95Å; F605-W639 AromaticContact CE2-CE3 3.73Å; F605-W639 HydrophobicContact CE2-CE3 3.73Å; F605-W639 HydrophobicContact CE2-CG 4.31Å; F605-W639 HydrophobicContact CE2-CZ3 4.22Å; F605-W639 HydrophobicContact CG-CG 4.35Å; F605-E644 WeakPolarHBondContact O-CB 3.04Å; F605-A645 HydrophobicContact CB-CB 3.72Å; F605-A645 HydrophobicContact CD1-CB 3.86Å; F605-A645 HydrophobicContact CG-CB 3.88Å; F605-L647 HydrophobicContact CE2-CD2 4.26Å; F605-L647 HydrophobicContact CZ-CD2 4.45Å
606S85.6Confident89.5Confident65 Ų6569.9 Ų69.946%0.45533%0.326SS..THydrogen-bonded Turntrans-800.3174.6-57.50000114.7N602 T604N602-S606 WeakPolarHBondContact O-CB 3.32Å; N602-S606 PolarHBondContact O-N 3.04Å; N602-S606 PolarHBondContact O-OG 2.75Å; T604-S606 PolarHBondContact O-N 2.99Å
607K85.4Confident89.9Confident140 Ų14066 Ų6661%0.60931%0.305SS*.SBendtrans-114.5132.8177.9-69.3177.9-176.6176.30110.7E603 T604 F605 D609 R612E603-K607 WeakPolarHBondContact O-CG 3.48Å; T604-K607 PolarHBondContact O-N 3.43Å; F605-K607 VanDerWaalsContact C-N 3.27Å; F605-K607 PolarHBondContact O-N 2.92Å; K607-D609 PolarHBondContact O-N 2.89Å; K607-R612 PolarHBondContact O-NH1 3.42Å; K607-R612 PolarHBondContact O-NH2 2.9Å
608V82.8Confident90.1Very high114 Ų11466 Ų6669%0.69131%0.305SS*.  trans-64.8113168.5-177.60000108.5E644V608-E644 HydrophobicContact CB-CG 4.49Å; V608-E644 HydrophobicContact CG2-CB 4.29Å; V608-E644 HydrophobicContact CG2-CG 3.47Å; V608-E644 VanDerWaalsContact CG2-CG 3.47Å
609D85.8Confident90Very high68 Ų6862.3 Ų62.336%0.36429%0.291SS..  trans-127106.3172.9-178-4.6000109K607 R611 R612K607-D609 PolarHBondContact O-N 2.89Å; D609-R611 PolarHBondContact O-N 3.47Å; D609-R611 WeakPolarHBondContact OD1-CB 3.39Å; D609-R611 PolarHBondContact OD1-N 3.34Å; D609-R612 HydrophobicContact CB-CB 3.91Å; D609-R612 PolarHBondContact O-N 3.37Å; D609-R612 PolarHBondContact OD1-N 2.94Å
610R82.2Confident90Very high224 Ų22457 Ų5785%0.84527%0.268SS*.THydrogen-bonded Turntrans-66.8-20.8179.7-68.3-172.9179178.9-0.3113
611R86.1Confident89.8Confident231 Ų23158.2 Ų58.287%0.87227%0.273SS*.THydrogen-bonded Turntrans-89.3-15.4179.5-64.1-176.7178.4-177.6-0.3112.7D609 L613D609-R611 PolarHBondContact O-N 3.47Å; D609-R611 WeakPolarHBondContact OD1-CB 3.39Å; D609-R611 PolarHBondContact OD1-N 3.34Å; R611-L613 PolarHBondContact O-N 3.35Å
612R88.8Confident89.5Confident24 Ų2458.1 Ų58.19%0.09127%0.273CS..PPolyproline II helixtrans-68.4123.6179.3179.5167.763.2-124.110110.3T604 K607 D609 E644T604-R612 VanDerWaalsContact O-CZ 3.28Å; T604-R612 PolarHBondContact O-NH1 3.04Å; T604-R612 PolarHBondContact O-NH2 2.88Å; K607-R612 PolarHBondContact O-NH1 3.42Å; K607-R612 PolarHBondContact O-NH2 2.9Å; D609-R612 HydrophobicContact CB-CB 3.91Å; D609-R612 PolarHBondContact O-N 3.37Å; D609-R612 PolarHBondContact OD1-N 2.94Å; R612-E644 PolarHBondContact NH2-O 2.81Å
613L90.5Very high89Confident81 Ų8157 Ų5742%0.42427%0.267SS..PPolyproline II helixtrans-67.8138.7171.3-62.8180000109.9K560 R611K560-L613 HydrophobicContact CB-CD2 3.94Å; R611-L613 PolarHBondContact O-N 3.35Å
614P92.2Very high88.4Confident8 Ų853.2 Ų53.25%0.05225%0.25CS..PPolyproline II helixtrans-54.9150.3168.7-2332.5000111.7L523 F561 S562 K646L523-P614 HydrophobicContact CD2-CB 3.63Å; L523-P614 HydrophobicContact CD2-CG 3.97Å; F561-P614 WeakPolarHBondContact CA-O 3.29Å; F561-P614 HydrophobicContact CB-CB 4.28Å; F561-P614 WeakPolarHBondContact CB-O 3.09Å; S562-P614 PolarHBondContact N-O 3.5Å; P614-K646 CarbonylContact C-O 3.46Å; P614-K646 VanDerWaalsContact CA-O 3.23Å; P614-K646 WeakPolarHBondContact CA-O 3.4Å; P614-K646 HydrophobicContact CB-CB 4.12Å; P614-K646 HydrophobicContact CG-CB 4.28Å; P614-K646 HydrophobicContact CG-CD 4.35Å
615I94.8Very high87.6Confident3 Ų351.9 Ų51.92%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-115.5124.5178-58.2174.5000108.7S562 C564 M585 F605 K646 L647 I648S562-I615 CarbonylContact O-C 3.57Å; S562-I615 WeakPolarHBondContact O-CA 3.35Å; C564-I615 HydrophobicContact CB-CG2 4.47Å; M585-I615 HydrophobicContact CE-CD1 4.19Å; M585-I615 HydrophobicContact CG-CD1 3.47Å; M585-I615 VanDerWaalsContact CG-CD1 3.47Å; M585-I615 HydrophobicContact SD-CD1 3.48Å; M585-I615 WeakPolarHBondContact SD-CD1 3.42Å; F605-I615 HydrophobicContact CE1-CD1 4.1Å; F605-I615 HydrophobicContact CZ-CD1 4.08Å; I615-K646 PolarHBondContact N-O 3.03Å; I615-L647 HydrophobicContact CB-CD1 3.9Å; I615-L647 HydrophobicContact CG2-CD1 3.97Å; I615-I648 PolarHBondContact O-N 3.47Å
616V95.8Very high86.8Confident0 Ų054 Ų540%025%0.252CS..EExtended strand (participates in β ladder)trans-97.1109167.8-1800000107.8I519 V549 F561 S562 Y563 C564 I648 I650I519-V616 HydrophobicContact CG2-CG2 3.99Å; V549-V616 HydrophobicContact CG2-CG1 4.28Å; F561-V616 HydrophobicContact CD2-CB 4Å; F561-V616 HydrophobicContact CD2-CG2 3.44Å; F561-V616 VanDerWaalsContact CD2-CG2 3.44Å; F561-V616 HydrophobicContact CE2-CB 4.08Å; F561-V616 HydrophobicContact CE2-CG2 3.67Å; F561-V616 HydrophobicContact CG-CG2 4.21Å; S562-V616 PolarHBondContact O-N 3.14Å; Y563-V616 WeakPolarHBondContact CA-O 3.43Å; Y563-V616 HydrophobicContact CD2-CB 4.21Å; Y563-V616 HydrophobicContact CD2-CG1 4.08Å; Y563-V616 WeakPolarHBondContact CD2-O 3.43Å; Y563-V616 HydrophobicContact CE2-CG1 4.41Å; C564-V616 PolarHBondContact N-O 2.96Å; V616-I648 CarbonylContact C-O 3.59Å; V616-I648 WeakPolarHBondContact CA-O 3.19Å; V616-I648 HydrophobicContact CG2-CB 4.24Å; V616-I648 HydrophobicContact CG2-CD1 4.06Å; V616-I650 HydrophobicContact CG1-CD1 3.73Å; V616-I650 HydrophobicContact CG1-CG1 4.37Å
617L95.7Very high86.1Confident0 Ų053 Ų530%025%0.246CC..EExtended strand (participates in β ladder)trans-101.1108.7178.2175.865.4000110.1C564 V566 V577 M581 M619 L636 L647 I648 V649 I650C564-L617 HydrophobicContact CB-CD1 3.83Å; C564-L617 CarbonylContact O-C 3.57Å; C564-L617 WeakPolarHBondContact O-CA 3.13Å; C564-L617 VanDerWaalsContact SG-CD1 3.55Å; V566-L617 HydrophobicContact CG2-CD1 4.19Å; V577-L617 HydrophobicContact CG1-CD2 4.26Å; M581-L617 HydrophobicContact CE-CD2 4.36Å; M581-L617 HydrophobicContact CG-CD1 4.25Å; M581-L617 HydrophobicContact SD-CD2 3.89Å; L617-M619 HydrophobicContact CD2-CG 4.07Å; L617-M619 HydrophobicContact CD2-SD 4.32Å; L617-M619 HydrophobicContact CG-CG 4.01Å; L617-L636 HydrophobicContact CD2-CD1 4.32Å; L617-L636 HydrophobicContact CD2-CD2 3.95Å; L617-L647 HydrophobicContact CB-CD1 4.18Å; L617-I648 PolarHBondContact N-O 2.93Å; L617-V649 HydrophobicContact CD2-CG2 4.46Å; L617-I650 PolarHBondContact O-N 3.04Å
618L94.9Very high85.1Confident0 Ų052.5 Ų52.50%025%0.254CS..EExtended strand (participates in β ladder)trans-85.3113.2166.4176.156.6000109.7I545 R546 Y563 C564 E565 V566 D620 I650 V652I545-L618 HydrophobicContact CD1-CD1 4.13Å; I545-L618 HydrophobicContact CG2-CD1 3.99Å; I545-L618 HydrophobicContact CG2-CD2 4Å; R546-L618 HydrophobicContact CG-CD2 4.46Å; Y563-L618 HydrophobicContact CE2-CB 3.9Å; Y563-L618 WeakPolarHBondContact OH-CD2 3.32Å; C564-L618 PolarHBondContact O-N 3.37Å; E565-L618 WeakPolarHBondContact CA-O 3.46Å; E565-L618 HydrophobicContact CB-CB 4.47Å; E565-L618 HydrophobicContact CG-CB 4.23Å; E565-L618 HydrophobicContact CG-CD2 3.95Å; E565-L618 HydrophobicContact CG-CG 4.16Å; V566-L618 PolarHBondContact N-O 2.81Å; L618-D620 HydrophobicContact CG-CB 4.46Å; L618-I650 HydrophobicContact CD1-CB 3.99Å; L618-I650 HydrophobicContact CD1-CG2 3.75Å; L618-V652 HydrophobicContact CD1-CG2 3.51Å
619M91.9Very high84.4Confident0 Ų055.7 Ų55.70%025%0.254CS..EExtended strand (participates in β ladder)trans-98.293.3166.5-62.3-173.7-59.400108.3V566 L617 V622 L625 L633 L636 F637 V649 I650 A651 V652V566-M619 CarbonylContact O-C 3.47Å; V566-M619 WeakPolarHBondContact O-CA 3.18Å; L617-M619 HydrophobicContact CD2-CG 4.07Å; L617-M619 HydrophobicContact CD2-SD 4.32Å; L617-M619 HydrophobicContact CG-CG 4.01Å; M619-V622 HydrophobicContact CB-CB 4.29Å; M619-V622 HydrophobicContact CB-CG2 4.18Å; M619-V622 HydrophobicContact CE-CG2 3.92Å; M619-V622 HydrophobicContact SD-CG2 4.33Å; M619-L625 HydrophobicContact CB-CD1 4.48Å; M619-L633 HydrophobicContact CE-CD2 4.12Å; M619-L633 HydrophobicContact SD-CD2 4.06Å; M619-L636 HydrophobicContact SD-CD1 3.39Å; M619-L636 WeakPolarHBondContact SD-CD1 3.36Å; M619-F637 HydrophobicContact CE-CE1 3.89Å; M619-F637 HydrophobicContact CE-CZ 3.91Å; M619-V649 HydrophobicContact CE-CG1 3.3Å; M619-V649 HydrophobicContact SD-CG1 4.43Å; M619-I650 PolarHBondContact N-O 2.83Å; M619-A651 HydrophobicContact CE-CB 3.84Å; M619-V652 PolarHBondContact O-N 3.27Å
620D90.6Very high83.9Confident6 Ų654 Ų543%0.03224%0.244CC..EExtended strand (participates in β ladder)trans-80.7141.9176.6-156.511.8000110.4T542 V566 N567 G568 L618 V622T542-D620 WeakPolarHBondContact CB-OD2 3.27Å; T542-D620 WeakPolarHBondContact CG2-OD2 3.48Å; T542-D620 PolarHBondContact OG1-OD1 3.36Å; T542-D620 PolarHBondContact OG1-OD2 3.09Å; V566-D620 PolarHBondContact O-N 2.8Å; N567-D620 HydrophobicContact CB-CB 4.46Å; G568-D620 PolarHBondContact N-O 3.42Å; L618-D620 HydrophobicContact CG-CB 4.46Å; D620-V622 VanDerWaalsContact C-N 3.29Å; D620-V622 PolarHBondContact O-N 2.77Å
621E86.9Confident83.9Confident54 Ų5450.9 Ų50.925%0.25223%0.232SC..THydrogen-bonded Turntrans48.949.3-174.3-56.2-173.2-168.800112.9M569 D623 L624 V652M569-E621 WeakPolarHBondContact CG-OE2 3.38Å; E621-D623 WeakPolarHBondContact CA-OD1 3.4Å; E621-D623 PolarHBondContact O-N 2.7Å; E621-D623 VanDerWaalsContact O-N 3.08Å; E621-L624 HydrophobicContact CB-CD1 3.83Å; E621-L624 HydrophobicContact CB-CG 4.15Å; E621-L624 WeakPolarHBondContact O-CB 3.24Å; E621-L624 PolarHBondContact O-N 3.38Å; E621-L624 WeakPolarHBondContact OE2-CD1 3.43Å; E621-V652 CarbonylContact C-O 3.44Å; E621-V652 VanDerWaalsContact CA-O 3.3Å; E621-V652 WeakPolarHBondContact CA-O 3.32Å; E621-V652 PolarHBondContact N-O 2.87Å
622V86.1Confident83.9Confident0 Ų040.2 Ų40.20%019%0.192CC..G310 helixtrans-58.4-22.8-177.472.90000112.9Y532 M619 D620 L624 L625 L633 A651 V652 A653 F658Y532-V622 HydrophobicContact CE2-CG1 4.37Å; M619-V622 HydrophobicContact CB-CB 4.29Å; M619-V622 HydrophobicContact CB-CG2 4.18Å; M619-V622 HydrophobicContact CE-CG2 3.92Å; M619-V622 HydrophobicContact SD-CG2 4.33Å; D620-V622 VanDerWaalsContact C-N 3.29Å; D620-V622 PolarHBondContact O-N 2.77Å; V622-L624 PolarHBondContact O-N 2.76Å; V622-L625 PolarHBondContact O-N 2.84Å; V622-L633 HydrophobicContact CG2-CD1 4.24Å; V622-L633 HydrophobicContact CG2-CD2 3.38Å; V622-L633 HydrophobicContact CG2-CG 4.47Å; V622-A651 HydrophobicContact CG1-CB 4.28Å; V622-A651 HydrophobicContact CG2-CB 4.42Å; V622-V652 WeakPolarHBondContact CG1-O 3.07Å; V622-V652 PolarHBondContact N-O 3.11Å; V622-A653 HydrophobicContact CG1-CB 3.64Å; V622-F658 HydrophobicContact CG1-CD1 4.19Å; V622-F658 HydrophobicContact CG1-CE1 3.56Å; V622-F658 HydrophobicContact CG1-CZ 3.75Å; V622-F658 HydrophobicContact CG2-CE1 4.5Å
623D81.4Confident83.7Confident32 Ų3239.1 Ų39.117%0.17119%0.189CC..G310 helixtrans-63-22.717350.8-25000113.8E621 A653 F658E621-D623 WeakPolarHBondContact CA-OD1 3.4Å; E621-D623 PolarHBondContact O-N 2.7Å; E621-D623 VanDerWaalsContact O-N 3.08Å; D623-A653 HydrophobicContact CB-CB 4.02Å; D623-F658 HydrophobicContact CB-CD2 3.87Å; D623-F658 HydrophobicContact CB-CE2 3.44Å; D623-F658 VanDerWaalsContact CB-CE2 3.44Å; D623-F658 HydrophobicContact CB-CZ 4.27Å
624L78Confident83.4Confident37 Ų3738.5 Ų38.519%0.19418%0.181CC..G310 helixtrans-82.5-22.7173.6-54.8179.6000113.1R331 M569 E621 V622 I626R331-L624 VanDerWaalsContact CZ-CD2 3.46Å; M569-L624 HydrophobicContact CB-CD1 4.28Å; M569-L624 HydrophobicContact CG-CD1 3.32Å; M569-L624 HydrophobicContact SD-CD1 3.34Å; M569-L624 WeakPolarHBondContact SD-CD1 3.33Å; E621-L624 HydrophobicContact CB-CD1 3.83Å; E621-L624 HydrophobicContact CB-CG 4.15Å; E621-L624 WeakPolarHBondContact O-CB 3.24Å; E621-L624 PolarHBondContact O-N 3.38Å; E621-L624 WeakPolarHBondContact OE2-CD1 3.43Å; V622-L624 PolarHBondContact O-N 2.76Å; L624-I626 VanDerWaalsContact C-N 3.31Å; L624-I626 PolarHBondContact O-N 3.24Å
625L73.7Confident83.2Confident3 Ų339.4 Ų39.42%0.01619%0.185CC..SBendtrans-82.8-1.2-179.2-64.2175.7000113.8V571 P574 V577 M619 V622 S627V571-L625 HydrophobicContact CB-CD2 4.31Å; V571-L625 HydrophobicContact CG1-CD2 4.47Å; P574-L625 HydrophobicContact CB-CB 4.36Å; P574-L625 HydrophobicContact CB-CD2 4.22Å; P574-L625 WeakPolarHBondContact CB-O 3.48Å; P574-L625 HydrophobicContact CG-CD2 4.48Å; P574-L625 VanDerWaalsContact CG-O 3.28Å; P574-L625 WeakPolarHBondContact CG-O 3.23Å; V577-L625 HydrophobicContact CG2-CD1 4.26Å; M619-L625 HydrophobicContact CB-CD1 4.48Å; V622-L625 PolarHBondContact O-N 2.84Å; L625-S627 PolarHBondContact O-N 2.93Å
626I73.8Confident83Confident43 Ų4339.3 Ų39.322%0.22118%0.184CC..  trans-73.9120.6-178.3-64.5161.2000111.7L624 Q630 L633 F658 V662L624-I626 VanDerWaalsContact C-N 3.31Å; L624-I626 PolarHBondContact O-N 3.24Å; I626-Q630 HydrophobicContact CG2-CG 4.13Å; I626-L633 HydrophobicContact CG1-CD1 3.58Å; I626-F658 HydrophobicContact CD1-CD2 4.29Å; I626-F658 HydrophobicContact CD1-CE2 3.13Å; I626-F658 HydrophobicContact CD1-CZ 3.34Å; I626-F658 HydrophobicContact CG1-CE2 4.08Å; I626-F658 HydrophobicContact CG1-CZ 3.8Å; I626-V662 HydrophobicContact CD1-CB 4.27Å; I626-V662 HydrophobicContact CD1-CG1 3.34Å; I626-V662 HydrophobicContact CG1-CG1 4.49Å; I626-V662 HydrophobicContact CG2-CG1 4.44Å
627S70.7Confident82.6Confident46 Ų4639.3 Ų39.332%0.32218%0.184SC..  trans-94158.6161.5660000111.3L625 R629 Q630L625-S627 PolarHBondContact O-N 2.93Å; S627-R629 PolarHBondContact O-N 2.65Å; S627-R629 VanDerWaalsContact O-N 3.07Å; S627-Q630 WeakPolarHBondContact O-CA 3.43Å; S627-Q630 VanDerWaalsContact O-CG 3.29Å; S627-Q630 WeakPolarHBondContact O-CG 3.45Å; S627-Q630 PolarHBondContact O-N 3.49Å; S627-Q630 PolarHBondContact OG-N 2.75Å
628V64.2Low82.2Confident129 Ų12941 Ų4178%0.78219%0.193SC*.THydrogen-bonded Turntrans-52.7-33.7177-179.80000112.5
629R69Low82Confident181 Ų18141 Ų4168%0.68319%0.193SC*.THydrogen-bonded Turntrans-90.9-7.7179.4-64-175.1176.1165.9-1.9113.8S627 R631S627-R629 PolarHBondContact O-N 2.65Å; S627-R629 VanDerWaalsContact O-N 3.07Å; R629-R631 HydrophobicContact CB-CG 3.93Å; R629-R631 PolarHBondContact O-N 3.46Å
630Q74.5Confident81.9Confident31 Ų3141 Ų4115%0.14519%0.193CC..  trans51.421.8178.1-56.6178.81200115.3I626 S627 V632 L633 Y634 V662 I667I626-Q630 HydrophobicContact CG2-CG 4.13Å; S627-Q630 WeakPolarHBondContact O-CA 3.43Å; S627-Q630 VanDerWaalsContact O-CG 3.29Å; S627-Q630 WeakPolarHBondContact O-CG 3.45Å; S627-Q630 PolarHBondContact O-N 3.49Å; S627-Q630 PolarHBondContact OG-N 2.75Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.16Å; Q630-L633 PolarHBondContact O-N 3.24Å; Q630-Y634 WeakPolarHBondContact O-CB 3.48Å; Q630-Y634 PolarHBondContact O-N 3.2Å; Q630-V662 PolarHBondContact NE2-O 3.16Å; Q630-I667 HydrophobicContact CB-CD1 3.78Å
631R81.7Confident81.5Confident159 Ų15943.9 Ų43.960%0.621%0.208SC*.Hα-helixtrans-63.4-36.9-170.8-71.2-176.9177.4178.7-3.8113.1R629 Q635R629-R631 HydrophobicContact CB-CG 3.93Å; R629-R631 PolarHBondContact O-N 3.46Å; R631-Q635 VanDerWaalsContact O-CB 3.31Å; R631-Q635 WeakPolarHBondContact O-CB 3.3Å; R631-Q635 PolarHBondContact O-N 3.44Å
632V87.3Confident81.3Confident7 Ų743.2 Ų43.24%0.04221%0.206CC..Hα-helixtrans-68.4-54.4-178.5178.80000110.7P574 K575 Y578 Q630 Y634 Q635 L636P574-V632 HydrophobicContact CB-CG2 4.2Å; K575-V632 HydrophobicContact CG-CG2 4.11Å; Y578-V632 HydrophobicContact CE1-CG1 4.38Å; Y578-V632 HydrophobicContact CE2-CG2 4.3Å; Y578-V632 WeakPolarHBondContact OH-CA 3.27Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.16Å; V632-Y634 VanDerWaalsContact C-N 3.33Å; V632-Y634 PolarHBondContact O-N 2.98Å; V632-Q635 PolarHBondContact O-N 3.44Å; V632-Q635 VanDerWaalsContact O-N 3.14Å; V632-L636 HydrophobicContact CG1-CD1 3.81Å; V632-L636 HydrophobicContact CG1-CG 4.43Å; V632-L636 WeakPolarHBondContact O-CG 3.38Å; V632-L636 PolarHBondContact O-N 3.04Å
633L84.9Confident80.8Confident2 Ų250.4 Ų50.41%0.0124%0.239CC..Hα-helixtrans-60.3-43.8178.2-63.5-179.9000111.8M619 V622 I626 Q630 Q635 L636 F637 F658 L663M619-L633 HydrophobicContact CE-CD2 4.12Å; M619-L633 HydrophobicContact SD-CD2 4.06Å; V622-L633 HydrophobicContact CG2-CD1 4.24Å; V622-L633 HydrophobicContact CG2-CD2 3.38Å; V622-L633 HydrophobicContact CG2-CG 4.47Å; I626-L633 HydrophobicContact CG1-CD1 3.58Å; Q630-L633 PolarHBondContact O-N 3.24Å; L633-Q635 VanDerWaalsContact C-N 3.32Å; L633-Q635 PolarHBondContact O-N 3.11Å; L633-L636 PolarHBondContact O-N 3.42Å; L633-F637 HydrophobicContact CB-CD2 4.25Å; L633-F637 HydrophobicContact CB-CE2 3.98Å; L633-F637 HydrophobicContact CD2-CE2 4.49Å; L633-F637 WeakPolarHBondContact O-CD2 3.46Å; L633-F637 WeakPolarHBondContact O-CG 3.49Å; L633-F637 PolarHBondContact O-N 3.48Å; L633-F658 HydrophobicContact CD1-CZ 4.38Å; L633-L663 HydrophobicContact CD1-CD2 3.86Å
634Y83.9Confident81Confident68 Ų6852.6 Ų52.627%0.26725%0.248SC..Hα-helixtrans-52.9-51.6173.8179.4-84.9000111.3Q630 V632 L636 F637 D638 R666 I667 R670Q630-Y634 WeakPolarHBondContact O-CB 3.48Å; Q630-Y634 PolarHBondContact O-N 3.2Å; V632-Y634 VanDerWaalsContact C-N 3.33Å; V632-Y634 PolarHBondContact O-N 2.98Å; Y634-L636 PolarHBondContact O-N 3.35Å; Y634-F637 PolarHBondContact O-N 3.11Å; Y634-D638 HydrophobicContact CE1-CB 4.28Å; Y634-D638 WeakPolarHBondContact O-CB 3.29Å; Y634-D638 PolarHBondContact O-N 3.35Å; Y634-R666 HydrophobicContact CE2-CB 4.27Å; Y634-I667 HydrophobicContact CD2-CD1 4.17Å; Y634-I667 HydrophobicContact CD2-CG1 3.56Å; Y634-I667 HydrophobicContact CG-CD1 4.5Å; Y634-I667 HydrophobicContact CG-CG1 4.21Å; Y634-R670 PolarHBondContact OH-NH2 2.81Å
635Q88.5Confident81.5Confident27 Ų2750.9 Ų50.913%0.12624%0.239CC..Hα-helixtrans-63.4-41.9-176.4-172.66968.500112.4R631 V632 L633 D638 W639R631-Q635 VanDerWaalsContact O-CB 3.31Å; R631-Q635 WeakPolarHBondContact O-CB 3.3Å; R631-Q635 PolarHBondContact O-N 3.44Å; V632-Q635 PolarHBondContact O-N 3.44Å; V632-Q635 VanDerWaalsContact O-N 3.14Å; L633-Q635 VanDerWaalsContact C-N 3.32Å; L633-Q635 PolarHBondContact O-N 3.11Å; Q635-D638 PolarHBondContact O-N 2.9Å; Q635-W639 HydrophobicContact CG-CD2 3.9Å; Q635-W639 HydrophobicContact CG-CE3 4Å; Q635-W639 HydrophobicContact CG-CH2 3.55Å; Q635-W639 HydrophobicContact CG-CZ2 3.44Å; Q635-W639 VanDerWaalsContact CG-CZ2 3.44Å; Q635-W639 HydrophobicContact CG-CZ3 3.84Å; Q635-W639 PolarHBondContact O-N 3.43Å
636L90.7Very high82.2Confident0 Ų051.5 Ų51.50%024%0.242CC..Hα-helixtrans-67.2-43.9-179-66.6170.5000111.6V577 Y578 M581 L617 M619 V632 L633 Y634 D638 W639 S640V577-L636 HydrophobicContact CG1-CD1 3.76Å; V577-L636 HydrophobicContact CG1-CD2 4.16Å; Y578-L636 HydrophobicContact CE1-CD2 4.39Å; M581-L636 HydrophobicContact CE-CD2 4.31Å; M581-L636 HydrophobicContact SD-CD2 3.57Å; M581-L636 VanDerWaalsContact SD-CD2 3.57Å; L617-L636 HydrophobicContact CD2-CD1 4.32Å; L617-L636 HydrophobicContact CD2-CD2 3.95Å; M619-L636 HydrophobicContact SD-CD1 3.39Å; M619-L636 WeakPolarHBondContact SD-CD1 3.36Å; V632-L636 HydrophobicContact CG1-CD1 3.81Å; V632-L636 HydrophobicContact CG1-CG 4.43Å; V632-L636 WeakPolarHBondContact O-CG 3.38Å; V632-L636 PolarHBondContact O-N 3.04Å; L633-L636 PolarHBondContact O-N 3.42Å; Y634-L636 PolarHBondContact O-N 3.35Å; L636-D638 VanDerWaalsContact C-N 3.35Å; L636-W639 HydrophobicContact CD2-CE3 3.94Å; L636-W639 HydrophobicContact CD2-CZ3 3.94Å; L636-W639 PolarHBondContact O-N 2.85Å; L636-S640 PolarHBondContact O-N 3.02Å
637F87.4Confident83.2Confident0 Ų049.5 Ų49.50%023%0.232CC..Hα-helixtrans-69.1-35.1175.9-63.6-48.4000112.2C530 M619 L633 Y634 S640 N641 V649 A651 L663 I667 R670 V671C530-F637 HydrophobicContact CB-CD1 4.28Å; C530-F637 WeakPolarHBondContact SG-CD1 3.42Å; C530-F637 WeakPolarHBondContact SG-CE1 3.48Å; M619-F637 HydrophobicContact CE-CE1 3.89Å; M619-F637 HydrophobicContact CE-CZ 3.91Å; L633-F637 HydrophobicContact CB-CD2 4.25Å; L633-F637 HydrophobicContact CB-CE2 3.98Å; L633-F637 HydrophobicContact CD2-CE2 4.49Å; L633-F637 WeakPolarHBondContact O-CD2 3.46Å; L633-F637 WeakPolarHBondContact O-CG 3.49Å; L633-F637 PolarHBondContact O-N 3.48Å; Y634-F637 PolarHBondContact O-N 3.11Å; F637-S640 WeakPolarHBondContact CA-OG 3.32Å; F637-S640 PolarHBondContact O-N 2.85Å; F637-S640 PolarHBondContact O-OG 3.24Å; F637-N641 PolarHBondContact O-N 2.79Å; F637-V649 HydrophobicContact CD1-CG1 4.07Å; F637-V649 HydrophobicContact CE1-CG1 3.72Å; F637-A651 HydrophobicContact CE1-CB 4.03Å; F637-A651 HydrophobicContact CZ-CB 3.93Å; F637-L663 HydrophobicContact CE2-CD1 4.12Å; F637-I667 HydrophobicContact CD2-CG2 3.5Å; F637-I667 VanDerWaalsContact CD2-CG2 3.5Å; F637-I667 HydrophobicContact CE2-CG2 3.95Å; F637-R670 HydrophobicContact CB-CB 4.41Å; F637-V671 HydrophobicContact CD1-CG2 3.92Å; F637-V671 HydrophobicContact CD2-CG2 3.61Å; F637-V671 HydrophobicContact CE1-CG2 3.94Å; F637-V671 HydrophobicContact CE2-CG2 3.59Å; F637-V671 HydrophobicContact CG-CG2 3.76Å; F637-V671 HydrophobicContact CZ-CG2 3.76Å
638D86.2Confident84.3Confident35 Ų3547.3 Ų47.319%0.18722%0.216CC..Hα-helixtrans-63.5-45.5174.3-163.462.8000111.5Y634 Q635 L636 S640 N641 Q642 R670Y634-D638 HydrophobicContact CE1-CB 4.28Å; Y634-D638 WeakPolarHBondContact O-CB 3.29Å; Y634-D638 PolarHBondContact O-N 3.35Å; Q635-D638 PolarHBondContact O-N 2.9Å; L636-D638 VanDerWaalsContact C-N 3.35Å; D638-S640 VanDerWaalsContact C-N 3.3Å; D638-S640 PolarHBondContact O-N 3.25Å; D638-N641 PolarHBondContact O-N 3.49Å; D638-Q642 PolarHBondContact O-N 3.45Å; D638-R670 IonicContact OD1-CZ 2.89Å; D638-R670 VanDerWaalsContact OD1-CZ 3.24Å; D638-R670 IonicContact OD1-NE 3.08Å; D638-R670 PolarHBondContact OD1-NE 3.46Å; D638-R670 IonicContact OD1-NH2 3.95Å; D638-R670 PolarHBondContact OD1-NH2 2.98Å
639W91.2Very high85.7Confident0 Ų041.1 Ų41.10%018%0.179CC..Hα-helixtrans-62.5-35.5172.7-70.2-32.2000112.6Y578 R598 L601 N602 F605 Q635 L636 N641 Q642 A645 L647Y578-W639 HydrophobicContact CD1-CH2 4.06Å; Y578-W639 AromaticContact CD1-CZ3 3.95Å; Y578-W639 HydrophobicContact CD1-CZ3 3.95Å; Y578-W639 AromaticContact CE1-CH2 3.92Å; Y578-W639 HydrophobicContact CE1-CH2 3.92Å; Y578-W639 AromaticContact CE1-CZ3 3.83Å; Y578-W639 HydrophobicContact CE1-CZ3 3.83Å; R598-W639 HydrophobicContact CG-CH2 4.07Å; R598-W639 HydrophobicContact CG-CZ2 4.41Å; L601-W639 HydrophobicContact CB-CH2 3.47Å; L601-W639 VanDerWaalsContact CB-CH2 3.47Å; L601-W639 HydrophobicContact CB-CZ2 3.86Å; L601-W639 HydrophobicContact CB-CZ3 3.95Å; L601-W639 HydrophobicContact CD1-CH2 3.96Å; L601-W639 HydrophobicContact CD1-CZ3 3.92Å; L601-W639 HydrophobicContact CG-CH2 4.38Å; N602-W639 HydrophobicContact CB-CZ2 3.98Å; N602-W639 PolarHBondContact OD1-NE1 3.28Å; F605-W639 HydrophobicContact CB-CG 4.34Å; F605-W639 HydrophobicContact CD2-CB 4Å; F605-W639 AromaticContact CD2-CD1 3.99Å; F605-W639 AromaticContact CD2-CD2 3.48Å; F605-W639 HydrophobicContact CD2-CD2 3.48Å; F605-W639 VanDerWaalsContact CD2-CD2 3.48Å; F605-W639 AromaticContact CD2-CE2 3.88Å; F605-W639 AromaticContact CD2-CE3 3.78Å; F605-W639 HydrophobicContact CD2-CE3 3.78Å; F605-W639 AromaticContact CD2-CG 3.59Å; F605-W639 HydrophobicContact CD2-CG 3.59Å; F605-W639 HydrophobicContact CD2-CZ3 4.43Å; F605-W639 AromaticContact CE2-CD2 3.95Å; F605-W639 HydrophobicContact CE2-CD2 3.95Å; F605-W639 AromaticContact CE2-CE3 3.73Å; F605-W639 HydrophobicContact CE2-CE3 3.73Å; F605-W639 HydrophobicContact CE2-CG 4.31Å; F605-W639 HydrophobicContact CE2-CZ3 4.22Å; F605-W639 HydrophobicContact CG-CG 4.35Å; Q635-W639 HydrophobicContact CG-CD2 3.9Å; Q635-W639 HydrophobicContact CG-CE3 4Å; Q635-W639 HydrophobicContact CG-CH2 3.55Å; Q635-W639 HydrophobicContact CG-CZ2 3.44Å; Q635-W639 VanDerWaalsContact CG-CZ2 3.44Å; Q635-W639 HydrophobicContact CG-CZ3 3.84Å; Q635-W639 PolarHBondContact O-N 3.43Å; L636-W639 HydrophobicContact CD2-CE3 3.94Å; L636-W639 HydrophobicContact CD2-CZ3 3.94Å; L636-W639 PolarHBondContact O-N 2.85Å; W639-N641 PolarHBondContact O-N 3.05Å; W639-Q642 PolarHBondContact O-N 2.93Å; W639-Q642 VanDerWaalsContact O-N 3.16Å; W639-A645 WeakPolarHBondContact O-CB 3.41Å; W639-L647 HydrophobicContact CB-CD2 3.7Å
640S89Confident86.9Confident1 Ų132.5 Ų32.51%0.00715%0.147CC..Hα-helixtrans-66.3-22.1178.174.60000114G528 G529 L636 F637 D638 L647G528-S640 CarbonylContact C-O 3.6Å; G528-S640 VanDerWaalsContact C-O 3.28Å; G528-S640 WeakPolarHBondContact CA-O 3.47Å; G529-S640 PolarHBondContact N-O 3.46Å; G529-S640 VanDerWaalsContact N-O 3.12Å; L636-S640 PolarHBondContact O-N 3.02Å; F637-S640 WeakPolarHBondContact CA-OG 3.32Å; F637-S640 PolarHBondContact O-N 2.85Å; F637-S640 PolarHBondContact O-OG 3.24Å; D638-S640 VanDerWaalsContact C-N 3.3Å; D638-S640 PolarHBondContact O-N 3.25Å; S640-L647 WeakPolarHBondContact CA-O 3.36Å; S640-L647 WeakPolarHBondContact CB-O 3.37Å
641N82.1Confident87.7Confident66 Ų6631 Ų3135%0.35314%0.14SC..THydrogen-bonded Turntrans-95.10.3177.1-72.8-21.1000113.2F637 D638 W639 R670 N674F637-N641 PolarHBondContact O-N 2.79Å; D638-N641 PolarHBondContact O-N 3.49Å; W639-N641 PolarHBondContact O-N 3.05Å; N641-R670 VanDerWaalsContact ND2-CB 3.28Å; N641-R670 WeakPolarHBondContact ND2-CB 3.33Å; N641-R670 WeakPolarHBondContact ND2-CG 3.38Å; N641-R670 PolarHBondContact ND2-O 2.74Å; N641-N674 PolarHBondContact OD1-ND2 2.91Å
642Q82.6Confident88.1Confident41 Ų4123.5 Ų23.519%0.19211%0.111CC..  trans-87.7122.3171.5-69.6174.61600108.9D638 W639 E644 A645D638-Q642 PolarHBondContact O-N 3.45Å; W639-Q642 PolarHBondContact O-N 2.93Å; W639-Q642 VanDerWaalsContact O-N 3.16Å; Q642-E644 PolarHBondContact O-N 3.43Å; Q642-A645 HydrophobicContact CB-CB 4.01Å; Q642-A645 WeakPolarHBondContact O-CB 3.47Å; Q642-A645 PolarHBondContact O-N 3.06Å; Q642-A645 VanDerWaalsContact O-N 3.12Å
643E76.6Confident88.1Confident151 Ų15123.2 Ų23.271%0.70611%0.109SC*.G310 helixtrans-60.1-37.2-178.7-66.7-174.817600111.4A645E643-A645 VanDerWaalsContact C-N 3.26Å; E643-A645 PolarHBondContact O-N 3.47Å
644E84.9Confident87.9Confident77 Ų7725.1 Ų25.136%0.3612%0.12SC..G310 helixtrans-66.2-30.6-179.9-55.286.7170.800111.9F605 V608 R612 Q642 K646F605-E644 WeakPolarHBondContact O-CB 3.04Å; V608-E644 HydrophobicContact CB-CG 4.49Å; V608-E644 HydrophobicContact CG2-CB 4.29Å; V608-E644 HydrophobicContact CG2-CG 3.47Å; V608-E644 VanDerWaalsContact CG2-CG 3.47Å; R612-E644 PolarHBondContact NH2-O 2.81Å; Q642-E644 PolarHBondContact O-N 3.43Å; E644-K646 VanDerWaalsContact C-N 3.34Å; E644-K646 PolarHBondContact O-N 3.42Å
645A87.6Confident87.2Confident1 Ų124.5 Ų24.51%0.00812%0.123CC..G310 helixtrans-67.6-31.5-170.800000113.5F605 W639 Q642 E643 L647F605-A645 HydrophobicContact CB-CB 3.72Å; F605-A645 HydrophobicContact CD1-CB 3.86Å; F605-A645 HydrophobicContact CG-CB 3.88Å; W639-A645 WeakPolarHBondContact O-CB 3.41Å; Q642-A645 HydrophobicContact CB-CB 4.01Å; Q642-A645 WeakPolarHBondContact O-CB 3.47Å; Q642-A645 PolarHBondContact O-N 3.06Å; Q642-A645 VanDerWaalsContact O-N 3.12Å; E643-A645 VanDerWaalsContact C-N 3.26Å; E643-A645 PolarHBondContact O-N 3.47Å; A645-L647 HydrophobicContact CB-CB 4.22Å; A645-L647 PolarHBondContact O-N 3.02Å
646K90.2Very high85.8Confident17 Ų1727.4 Ų27.47%0.07414%0.139CC..  trans50.638.5-172.4-53.4-173173.9-171.60112.6E526 P614 I615 E644E526-K646 HydrophobicContact CB-CD 4.47Å; E526-K646 VanDerWaalsContact CD-NZ 3.3Å; E526-K646 IonicContact OE1-NZ 3Å; E526-K646 IonicContact OE2-NZ 2.68Å; E526-K646 PolarHBondContact OE2-NZ 2.57Å; P614-K646 CarbonylContact C-O 3.46Å; P614-K646 VanDerWaalsContact CA-O 3.23Å; P614-K646 WeakPolarHBondContact CA-O 3.4Å; P614-K646 HydrophobicContact CB-CB 4.12Å; P614-K646 HydrophobicContact CG-CB 4.28Å; P614-K646 HydrophobicContact CG-CD 4.35Å; I615-K646 PolarHBondContact N-O 3.03Å; E644-K646 VanDerWaalsContact C-N 3.34Å; E644-K646 PolarHBondContact O-N 3.42Å
647L93.8Very high84.5Confident0 Ų030 Ų300%015%0.153CC..EExtended strand (participates in β ladder)trans-103.1117.2-177179.365.9000110.6G528 G529 M581 F605 I615 L617 W639 S640 A645 V649G528-L647 CarbonylContact C-O 3.53Å; G528-L647 WeakPolarHBondContact CA-O 3.31Å; G529-L647 PolarHBondContact N-O 3.3Å; M581-L647 HydrophobicContact CE-CD1 3.74Å; M581-L647 HydrophobicContact CE-CD2 4Å; F605-L647 HydrophobicContact CE2-CD2 4.26Å; F605-L647 HydrophobicContact CZ-CD2 4.45Å; I615-L647 HydrophobicContact CB-CD1 3.9Å; I615-L647 HydrophobicContact CG2-CD1 3.97Å; L617-L647 HydrophobicContact CB-CD1 4.18Å; W639-L647 HydrophobicContact CB-CD2 3.7Å; S640-L647 WeakPolarHBondContact CA-O 3.36Å; S640-L647 WeakPolarHBondContact CB-O 3.37Å; A645-L647 HydrophobicContact CB-CB 4.22Å; A645-L647 PolarHBondContact O-N 3.02Å; L647-V649 HydrophobicContact CD1-CG2 4.49Å; L647-V649 HydrophobicContact CD2-CG2 3.99Å; L647-V649 HydrophobicContact CG-CG2 3.88Å
648I93.7Very high83.3Confident0 Ų030.1 Ų30.10%015%0.153CC..EExtended strand (participates in β ladder)trans-101.7116174.6-57.3167.6000108.1F518 I519 C522 L523 G529 I615 V616 L617F518-I648 HydrophobicContact CE1-CG2 3.86Å; I519-I648 HydrophobicContact CG2-CD1 4.37Å; C522-I648 HydrophobicContact CB-CD1 3.44Å; C522-I648 VanDerWaalsContact CB-CD1 3.44Å; C522-I648 HydrophobicContact CB-CG1 3.78Å; L523-I648 HydrophobicContact CD2-CD1 3.79Å; L523-I648 HydrophobicContact CG-CD1 3.91Å; G529-I648 CarbonylContact O-C 3.28Å; G529-I648 VanDerWaalsContact O-CA 3.26Å; G529-I648 WeakPolarHBondContact O-CA 3.49Å; I615-I648 PolarHBondContact O-N 3.47Å; V616-I648 CarbonylContact C-O 3.59Å; V616-I648 WeakPolarHBondContact CA-O 3.19Å; V616-I648 HydrophobicContact CG2-CB 4.24Å; V616-I648 HydrophobicContact CG2-CD1 4.06Å; L617-I648 PolarHBondContact N-O 2.93Å
649V93.7Very high82.1Confident0 Ų028.5 Ų28.50%015%0.145CC..EExtended strand (participates in β ladder)trans-105.1123.1-178.7179.10000109.9G529 C530 I531 L617 M619 F637 L647G529-V649 PolarHBondContact O-N 3.28Å; C530-V649 CarbonylContact C-O 3.28Å; C530-V649 VanDerWaalsContact CA-O 3.27Å; C530-V649 WeakPolarHBondContact CA-O 3.45Å; I531-V649 PolarHBondContact N-O 3.02Å; L617-V649 HydrophobicContact CD2-CG2 4.46Å; M619-V649 HydrophobicContact CE-CG1 3.3Å; M619-V649 HydrophobicContact SD-CG1 4.43Å; F637-V649 HydrophobicContact CD1-CG1 4.07Å; F637-V649 HydrophobicContact CE1-CG1 3.72Å; L647-V649 HydrophobicContact CD1-CG2 4.49Å; L647-V649 HydrophobicContact CD2-CG2 3.99Å; L647-V649 HydrophobicContact CG-CG2 3.88Å
650I93.9Very high80.6Confident0 Ų035.4 Ų35.40%018%0.177CC..EExtended strand (participates in β ladder)trans-108.9102.7172.8-52.7174.9000106.8I519 I531 V533 I545 V549 V616 L617 L618 M619 V652I519-I650 HydrophobicContact CD1-CD1 3.63Å; I519-I650 HydrophobicContact CG1-CD1 4.18Å; I531-I650 HydrophobicContact CG2-CB 4.01Å; I531-I650 HydrophobicContact CG2-CG1 3.72Å; I531-I650 HydrophobicContact CG2-CG2 3.9Å; V533-I650 HydrophobicContact CG2-CG2 4.36Å; I545-I650 HydrophobicContact CD1-CG2 3.82Å; I545-I650 HydrophobicContact CG1-CG2 4.28Å; I545-I650 HydrophobicContact CG2-CD1 3.85Å; I545-I650 HydrophobicContact CG2-CG2 4.03Å; V549-I650 HydrophobicContact CG2-CD1 4.45Å; V616-I650 HydrophobicContact CG1-CD1 3.73Å; V616-I650 HydrophobicContact CG1-CG1 4.37Å; L617-I650 PolarHBondContact O-N 3.04Å; L618-I650 HydrophobicContact CD1-CB 3.99Å; L618-I650 HydrophobicContact CD1-CG2 3.75Å; M619-I650 PolarHBondContact N-O 2.83Å; I650-V652 HydrophobicContact CG2-CG2 4.25Å
651A90.8Very high79.1Confident0 Ų044.7 Ų44.70%021%0.212CC..EExtended strand (participates in β ladder)trans-97.6116.7-179.600000109.6I531 Y532 V533 M619 V622 F637I531-A651 PolarHBondContact O-N 2.84Å; Y532-A651 WeakPolarHBondContact CA-O 3.38Å; Y532-A651 HydrophobicContact CD2-CB 4.04Å; Y532-A651 WeakPolarHBondContact CD2-O 3.37Å; V533-A651 PolarHBondContact N-O 2.72Å; M619-A651 HydrophobicContact CE-CB 3.84Å; V622-A651 HydrophobicContact CG1-CB 4.28Å; V622-A651 HydrophobicContact CG2-CB 4.42Å; F637-A651 HydrophobicContact CE1-CB 4.03Å; F637-A651 HydrophobicContact CZ-CB 3.93Å
652V90.8Very high77.8Confident1 Ų144.1 Ų44.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-110.2125-179.4-170.50000109.5V533 K541 I545 L618 M619 E621 V622 I650V533-V652 HydrophobicContact CB-CG2 4.27Å; V533-V652 CarbonylContact O-C 3.57Å; V533-V652 VanDerWaalsContact O-CA 3.28Å; V533-V652 WeakPolarHBondContact O-CA 3.4Å; K541-V652 HydrophobicContact CB-CG1 3.95Å; K541-V652 HydrophobicContact CD-CG1 3.99Å; I545-V652 HydrophobicContact CD1-CG2 3.24Å; L618-V652 HydrophobicContact CD1-CG2 3.51Å; M619-V652 PolarHBondContact O-N 3.27Å; E621-V652 CarbonylContact C-O 3.44Å; E621-V652 VanDerWaalsContact CA-O 3.3Å; E621-V652 WeakPolarHBondContact CA-O 3.32Å; E621-V652 PolarHBondContact N-O 2.87Å; V622-V652 WeakPolarHBondContact CG1-O 3.07Å; V622-V652 PolarHBondContact N-O 3.11Å; I650-V652 HydrophobicContact CG2-CG2 4.25Å
653A86.7Confident76.7Confident0 Ų042.6 Ų42.60%020%0.204CC..EExtended strand (participates in β ladder)trans-133.5165.9171.200000111.5Y532 V533 S534 V622 D623 F658Y532-A653 HydrophobicContact CE2-CB 3.99Å; Y532-A653 WeakPolarHBondContact OH-CB 3.48Å; V533-A653 PolarHBondContact O-N 3.46Å; S534-A653 WeakPolarHBondContact CA-O 3.44Å; V622-A653 HydrophobicContact CG1-CB 3.64Å; D623-A653 HydrophobicContact CB-CB 4.02Å; A653-F658 HydrophobicContact CB-CB 4.38Å; A653-F658 HydrophobicContact CB-CD1 4.38Å; A653-F658 HydrophobicContact CB-CD2 4.14Å; A653-F658 HydrophobicContact CB-CG 4.05Å
654N81Confident76Confident43 Ų4338 Ų3823%0.2319%0.188CC..SBendtrans-85.6-11.9178.4-68.2-46.1000113.1G535 P537 K541G535-N654 WeakPolarHBondContact O-CA 3.32Å; P537-N654 HydrophobicContact CG-CB 4.3Å; K541-N654 PolarHBondContact NZ-OD1 3.16Å
655T69.4Low74.8Confident54 Ų5438.6 Ų38.633%0.33119%0.19SC..  trans-103.9134.1-17750.80000112.2Y532 S534 F658Y532-T655 PolarHBondContact OH-O 2.95Å; S534-T655 WeakPolarHBondContact CB-O 3.47Å; T655-F658 WeakPolarHBondContact OG1-CB 3.33Å
656L58.7Low73.6Confident88 Ų8845 Ų4546%0.46121%0.214SC..THydrogen-bonded Turntrans-70.9-35.7-179.2-65.9174000111.9S534 F658 N678S534-L656 WeakPolarHBondContact OG-CD2 3.45Å; L656-F658 VanDerWaalsContact C-N 3.33Å; L656-N678 HydrophobicContact CD2-CB 4.15Å
657D63.1Low72.1Confident55 Ų5544.2 Ų44.229%0.29421%0.21SC..THydrogen-bonded Turntrans-91.710-175.959.4-21.1000113.5P659 E660 R661D657-P659 VanDerWaalsContact C-CD 3.5Å; D657-E660 PolarHBondContact O-N 2.93Å; D657-E660 VanDerWaalsContact O-N 3.17Å; D657-R661 HydrophobicContact CB-CB 4.32Å; D657-R661 VanDerWaalsContact O-CB 3.24Å; D657-R661 WeakPolarHBondContact O-CB 3.09Å; D657-R661 PolarHBondContact O-N 2.75Å; D657-R661 WeakPolarHBondContact OD2-CD 3.43Å; D657-R661 IonicContact OD2-CZ 3.52Å; D657-R661 IonicContact OD2-NE 3.25Å; D657-R661 IonicContact OD2-NH1 2.68Å; D657-R661 PolarHBondContact OD2-NH1 2.69Å
658F63.4Low70.5Confident2 Ų245.1 Ų45.11%0.00922%0.216CC..Hα-helixtrans-49.4-49.1-177-175.5-104.4000114.6Y532 V622 D623 I626 L633 A653 T655 L656 E660 V662 L663Y532-F658 HydrophobicContact CD2-CD1 4.31Å; Y532-F658 HydrophobicContact CE1-CB 4.21Å; Y532-F658 HydrophobicContact CE2-CB 4.06Å; Y532-F658 AromaticContact CE2-CD1 3.47Å; Y532-F658 HydrophobicContact CE2-CD1 3.47Å; Y532-F658 VanDerWaalsContact CE2-CD1 3.47Å; Y532-F658 HydrophobicContact CE2-CE1 4.28Å; Y532-F658 HydrophobicContact CE2-CG 4.05Å; Y532-F658 VanDerWaalsContact CZ-CB 3.49Å; Y532-F658 AromaticContact CZ-CD1 3.86Å; Y532-F658 AromaticContact CZ-CG 3.98Å; Y532-F658 WeakPolarHBondContact OH-CB 3.48Å; V622-F658 HydrophobicContact CG1-CD1 4.19Å; V622-F658 HydrophobicContact CG1-CE1 3.56Å; V622-F658 HydrophobicContact CG1-CZ 3.75Å; V622-F658 HydrophobicContact CG2-CE1 4.5Å; D623-F658 HydrophobicContact CB-CD2 3.87Å; D623-F658 HydrophobicContact CB-CE2 3.44Å; D623-F658 VanDerWaalsContact CB-CE2 3.44Å; D623-F658 HydrophobicContact CB-CZ 4.27Å; I626-F658 HydrophobicContact CD1-CD2 4.29Å; I626-F658 HydrophobicContact CD1-CE2 3.13Å; I626-F658 HydrophobicContact CD1-CZ 3.34Å; I626-F658 HydrophobicContact CG1-CE2 4.08Å; I626-F658 HydrophobicContact CG1-CZ 3.8Å; L633-F658 HydrophobicContact CD1-CZ 4.38Å; A653-F658 HydrophobicContact CB-CB 4.38Å; A653-F658 HydrophobicContact CB-CD1 4.38Å; A653-F658 HydrophobicContact CB-CD2 4.14Å; A653-F658 HydrophobicContact CB-CG 4.05Å; T655-F658 WeakPolarHBondContact OG1-CB 3.33Å; L656-F658 VanDerWaalsContact C-N 3.33Å; F658-E660 VanDerWaalsContact C-N 3.32Å; F658-E660 PolarHBondContact O-N 3.27Å; F658-V662 HydrophobicContact CD2-CB 4.44Å; F658-V662 HydrophobicContact CD2-CG2 4.33Å; F658-V662 WeakPolarHBondContact O-CB 3.49Å; F658-V662 PolarHBondContact O-N 2.88Å; F658-V662 VanDerWaalsContact O-N 3.16Å; F658-L663 HydrophobicContact CD1-CD1 4.29Å; F658-L663 HydrophobicContact CD1-CG 4.47Å; F658-L663 HydrophobicContact CE1-CD1 4.12Å; F658-L663 HydrophobicContact CE1-CD2 4.12Å; F658-L663 HydrophobicContact CE1-CG 4.2Å; F658-L663 HydrophobicContact CZ-CD2 4.41Å; F658-L663 PolarHBondContact O-N 3.27Å
659P59.8Low69.1Low2 Ų248.6 Ų48.61%0.01324%0.241CC..Hα-helixtrans-73.4-28.2-175.1-14.132.5000112.1Y532 D657 L663 S668 V671 L676Y532-P659 HydrophobicContact CD1-CG 3.57Å; Y532-P659 HydrophobicContact CD2-CG 4.19Å; Y532-P659 HydrophobicContact CE1-CG 3.66Å; Y532-P659 HydrophobicContact CE2-CG 4.32Å; Y532-P659 HydrophobicContact CG-CG 3.86Å; D657-P659 VanDerWaalsContact C-CD 3.5Å; P659-L663 HydrophobicContact CB-CD1 4.09Å; P659-L663 WeakPolarHBondContact O-CB 3.25Å; P659-S668 WeakPolarHBondContact O-CB 3.1Å; P659-S668 PolarHBondContact O-OG 3.19Å; P659-V671 HydrophobicContact CB-CG1 4.11Å; P659-V671 HydrophobicContact CG-CG1 4.28Å; P659-L676 HydrophobicContact CG-CD1 4.38Å
660E61.3Low67.7Low144 Ų14450.9 Ų50.967%0.67325%0.25SC*.Hα-helixtrans-90-34.8-173.7-63.4-179.3177.700112.6D657 F658D657-E660 PolarHBondContact O-N 2.93Å; D657-E660 VanDerWaalsContact O-N 3.17Å; F658-E660 VanDerWaalsContact C-N 3.32Å; F658-E660 PolarHBondContact O-N 3.27Å
661R57.5Low66Low197 Ų19751 Ų5174%0.74325%0.25SS*.Hα-helixtrans-92.2-31.8-174.9-168.1170.4-174.8175.24.6112.9D657D657-R661 HydrophobicContact CB-CB 4.32Å; D657-R661 VanDerWaalsContact O-CB 3.24Å; D657-R661 WeakPolarHBondContact O-CB 3.09Å; D657-R661 PolarHBondContact O-N 2.75Å; D657-R661 WeakPolarHBondContact OD2-CD 3.43Å; D657-R661 IonicContact OD2-CZ 3.52Å; D657-R661 IonicContact OD2-NE 3.25Å; D657-R661 IonicContact OD2-NH1 2.68Å; D657-R661 PolarHBondContact OD2-NH1 2.69Å
662V55.2Low64.1Low54 Ų5455 Ų5533%0.32727%0.274SS..THydrogen-bonded Turntrans-112.6-40.2-167.8-165.20000111.9I626 Q630 F658I626-V662 HydrophobicContact CD1-CB 4.27Å; I626-V662 HydrophobicContact CD1-CG1 3.34Å; I626-V662 HydrophobicContact CG1-CG1 4.49Å; I626-V662 HydrophobicContact CG2-CG1 4.44Å; Q630-V662 PolarHBondContact NE2-O 3.16Å; F658-V662 HydrophobicContact CD2-CB 4.44Å; F658-V662 HydrophobicContact CD2-CG2 4.33Å; F658-V662 WeakPolarHBondContact O-CB 3.49Å; F658-V662 PolarHBondContact O-N 2.88Å; F658-V662 VanDerWaalsContact O-N 3.16Å
663L59.2Low62.1Low8 Ų858.7 Ų58.74%0.04230%0.3CS..SBendtrans-76.1139.9179.2-56.5177.2000110.8L633 F637 F658 P659 I667 S668 V671L633-L663 HydrophobicContact CD1-CD2 3.86Å; F637-L663 HydrophobicContact CE2-CD1 4.12Å; F658-L663 HydrophobicContact CD1-CD1 4.29Å; F658-L663 HydrophobicContact CD1-CG 4.47Å; F658-L663 HydrophobicContact CE1-CD1 4.12Å; F658-L663 HydrophobicContact CE1-CD2 4.12Å; F658-L663 HydrophobicContact CE1-CG 4.2Å; F658-L663 HydrophobicContact CZ-CD2 4.41Å; F658-L663 PolarHBondContact O-N 3.27Å; P659-L663 HydrophobicContact CB-CD1 4.09Å; P659-L663 WeakPolarHBondContact O-CB 3.25Å; L663-I667 HydrophobicContact CB-CB 3.95Å; L663-I667 HydrophobicContact CB-CG2 3.86Å; L663-I667 HydrophobicContact CD1-CG2 3.71Å; L663-I667 HydrophobicContact CD2-CG2 4.07Å; L663-I667 HydrophobicContact CG-CG2 4.08Å; L663-S668 PolarHBondContact O-OG 3.27Å; L663-V671 HydrophobicContact CD1-CG2 4.01Å
664S60.8Low60.6Low55 Ų5560.8 Ų60.839%0.38531%0.312SS..  trans-58.3149.9172.672.30000110.2R666 I667 S668S664-R666 PolarHBondContact O-N 2.9Å; S664-I667 WeakPolarHBondContact O-CA 3.42Å; S664-I667 WeakPolarHBondContact O-CB 3.49Å; S664-I667 PolarHBondContact O-N 2.91Å; S664-I667 WeakPolarHBondContact OG-CD1 3.34Å; S664-I667 WeakPolarHBondContact OG-CG1 3.48Å; S664-S668 PolarHBondContact O-N 3.48Å; S664-S668 PolarHBondContact O-OG 2.79Å
665K60.8Low59.6Low90 Ų9062 Ų6239%0.39132%0.32SS..Hα-helixtrans-45.4-40.4179.7-81.4-173.3153.6-160.80114.2R421 I667 S668 S669R421-K665 HydrophobicContact CB-CD 4.43Å; R421-K665 VanDerWaalsContact CB-NZ 3.32Å; R421-K665 HydrophobicContact CG-CD 4.16Å; R421-K665 VanDerWaalsContact CG-CE 3.45Å; R421-K665 PolarHBondContact O-NZ 2.93Å; K665-I667 VanDerWaalsContact C-N 3.3Å; K665-I667 PolarHBondContact O-N 2.83Å; K665-S668 PolarHBondContact O-N 3.06Å; K665-S669 PolarHBondContact O-N 3.31Å; K665-S669 PolarHBondContact O-OG 3.39Å
666R62.1Low59.4Low135 Ų13563.5 Ų63.551%0.50933%0.326SS..Hα-helixtrans-63.5-30.8176.6-89.6-174.8179.7176.1-1.2114.4E428 Y634 S664 S669 R670E428-R666 IonicContact OE1-NE 3.7Å; Y634-R666 HydrophobicContact CE2-CB 4.27Å; S664-R666 PolarHBondContact O-N 2.9Å; R666-S669 PolarHBondContact O-OG 3.46Å; R666-S669 VanDerWaalsContact O-OG 3.13Å; R666-R670 WeakPolarHBondContact O-CG 3.48Å; R666-R670 PolarHBondContact O-NH1 2.66Å
667I59.4Low59.8Low1 Ų159.7 Ų59.71%0.00531%0.306CS..Hα-helixtrans-85.1-43.4177.1-60.5170.8000108.9Q630 Y634 F637 L663 S664 K665 S669 R670 V671Q630-I667 HydrophobicContact CB-CD1 3.78Å; Y634-I667 HydrophobicContact CD2-CD1 4.17Å; Y634-I667 HydrophobicContact CD2-CG1 3.56Å; Y634-I667 HydrophobicContact CG-CD1 4.5Å; Y634-I667 HydrophobicContact CG-CG1 4.21Å; F637-I667 HydrophobicContact CD2-CG2 3.5Å; F637-I667 VanDerWaalsContact CD2-CG2 3.5Å; F637-I667 HydrophobicContact CE2-CG2 3.95Å; L663-I667 HydrophobicContact CB-CB 3.95Å; L663-I667 HydrophobicContact CB-CG2 3.86Å; L663-I667 HydrophobicContact CD1-CG2 3.71Å; L663-I667 HydrophobicContact CD2-CG2 4.07Å; L663-I667 HydrophobicContact CG-CG2 4.08Å; S664-I667 WeakPolarHBondContact O-CA 3.42Å; S664-I667 WeakPolarHBondContact O-CB 3.49Å; S664-I667 PolarHBondContact O-N 2.91Å; S664-I667 WeakPolarHBondContact OG-CD1 3.34Å; S664-I667 WeakPolarHBondContact OG-CG1 3.48Å; K665-I667 VanDerWaalsContact C-N 3.3Å; K665-I667 PolarHBondContact O-N 2.83Å; I667-S669 VanDerWaalsContact C-N 3.27Å; I667-S669 PolarHBondContact O-N 2.89Å; I667-R670 WeakPolarHBondContact O-CB 3.36Å; I667-R670 PolarHBondContact O-N 3.19Å; I667-V671 HydrophobicContact CG2-CG2 4.15Å; I667-V671 WeakPolarHBondContact O-CG2 3.33Å; I667-V671 PolarHBondContact O-N 2.89Å
668S60Low60.4Low18 Ų1859.6 Ų59.613%0.12631%0.305CS..Hα-helixtrans-55.5-43.1176-44.20000111.1P659 L663 S664 K665 R670 V671 V672P659-S668 WeakPolarHBondContact O-CB 3.1Å; P659-S668 PolarHBondContact O-OG 3.19Å; L663-S668 PolarHBondContact O-OG 3.27Å; S664-S668 PolarHBondContact O-N 3.48Å; S664-S668 PolarHBondContact O-OG 2.79Å; K665-S668 PolarHBondContact O-N 3.06Å; S668-R670 VanDerWaalsContact C-N 3.26Å; S668-R670 PolarHBondContact O-N 3.17Å; S668-V671 PolarHBondContact O-N 3.36Å; S668-V671 VanDerWaalsContact O-N 3.15Å; S668-V672 WeakPolarHBondContact O-CB 3.46Å; S668-V672 WeakPolarHBondContact O-CG2 3.43Å; S668-V672 PolarHBondContact O-N 3.02Å
669S64.1Low60.8Low73 Ų7359.6 Ų59.651%0.5131%0.305SS..Hα-helixtrans-61.8-31.7177.361.80000113.9K665 R666 I667 S673K665-S669 PolarHBondContact O-N 3.31Å; K665-S669 PolarHBondContact O-OG 3.39Å; R666-S669 PolarHBondContact O-OG 3.46Å; R666-S669 VanDerWaalsContact O-OG 3.13Å; I667-S669 VanDerWaalsContact C-N 3.27Å; I667-S669 PolarHBondContact O-N 2.89Å; S669-S673 WeakPolarHBondContact O-CB 3.37Å; S669-S673 PolarHBondContact O-N 2.85Å; S669-S673 PolarHBondContact O-OG 3.18Å
670R63.5Low61.1Low49 Ų4965 Ų6519%0.18533%0.33CS..Hα-helixtrans-79.4-25.4176.9-70.5179.4171.585.5-6.6113.6Y634 F637 D638 N641 R666 I667 S668 S673 N674Y634-R670 PolarHBondContact OH-NH2 2.81Å; F637-R670 HydrophobicContact CB-CB 4.41Å; D638-R670 IonicContact OD1-CZ 2.89Å; D638-R670 VanDerWaalsContact OD1-CZ 3.24Å; D638-R670 IonicContact OD1-NE 3.08Å; D638-R670 PolarHBondContact OD1-NE 3.46Å; D638-R670 IonicContact OD1-NH2 3.95Å; D638-R670 PolarHBondContact OD1-NH2 2.98Å; N641-R670 VanDerWaalsContact ND2-CB 3.28Å; N641-R670 WeakPolarHBondContact ND2-CB 3.33Å; N641-R670 WeakPolarHBondContact ND2-CG 3.38Å; N641-R670 PolarHBondContact ND2-O 2.74Å; R666-R670 WeakPolarHBondContact O-CG 3.48Å; R666-R670 PolarHBondContact O-NH1 2.66Å; I667-R670 WeakPolarHBondContact O-CB 3.36Å; I667-R670 PolarHBondContact O-N 3.19Å; S668-R670 VanDerWaalsContact C-N 3.26Å; S668-R670 PolarHBondContact O-N 3.17Å; R670-S673 PolarHBondContact O-OG 3.32Å; R670-S673 VanDerWaalsContact O-OG 3.12Å; R670-N674 PolarHBondContact O-ND2 3.34Å
671V58.6Low60.6Low3 Ų365.5 Ų65.52%0.01835%0.35CS..Hα-helixtrans-88.7-44.9178.1176.10000110.7Y532 F637 P659 L663 I667 S668 S673 N674Y532-V671 HydrophobicContact CG-CG1 4.45Å; F637-V671 HydrophobicContact CD1-CG2 3.92Å; F637-V671 HydrophobicContact CD2-CG2 3.61Å; F637-V671 HydrophobicContact CE1-CG2 3.94Å; F637-V671 HydrophobicContact CE2-CG2 3.59Å; F637-V671 HydrophobicContact CG-CG2 3.76Å; F637-V671 HydrophobicContact CZ-CG2 3.76Å; P659-V671 HydrophobicContact CB-CG1 4.11Å; P659-V671 HydrophobicContact CG-CG1 4.28Å; L663-V671 HydrophobicContact CD1-CG2 4.01Å; I667-V671 HydrophobicContact CG2-CG2 4.15Å; I667-V671 WeakPolarHBondContact O-CG2 3.33Å; I667-V671 PolarHBondContact O-N 2.89Å; S668-V671 PolarHBondContact O-N 3.36Å; S668-V671 VanDerWaalsContact O-N 3.15Å; V671-S673 VanDerWaalsContact C-N 3.32Å; V671-S673 PolarHBondContact O-N 3.35Å; V671-N674 CarbonylContact O-C 3.23Å; V671-N674 PolarHBondContact O-N 3.48Å; V671-N674 VanDerWaalsContact O-O 3.13Å
672V50.5Low60.7Low83 Ų8359 Ų5950%0.50333%0.33SS..Hα-helixtrans-74.6-19.9-176.7177.40000112.3S668 N674S668-V672 WeakPolarHBondContact O-CB 3.46Å; S668-V672 WeakPolarHBondContact O-CG2 3.43Å; S668-V672 PolarHBondContact O-N 3.02Å; V672-N674 PolarHBondContact O-N 2.78Å; V672-N674 VanDerWaalsContact O-N 3.1Å
673S49.1Very low61Low78 Ų7859.2 Ų59.255%0.54533%0.33SS..THydrogen-bonded Turntrans-62.3-10.5165.558.30000112.7S669 R670 V671S669-S673 WeakPolarHBondContact O-CB 3.37Å; S669-S673 PolarHBondContact O-N 2.85Å; S669-S673 PolarHBondContact O-OG 3.18Å; R670-S673 PolarHBondContact O-OG 3.32Å; R670-S673 VanDerWaalsContact O-OG 3.12Å; V671-S673 VanDerWaalsContact C-N 3.32Å; V671-S673 PolarHBondContact O-N 3.35Å
674N55.3Low61.1Low45 Ų4562.1 Ų62.124%0.24135%0.346CS..SBendtrans-130.5167.4-177-57.2-63.4000112.9C530 N641 R670 V671 V672 L676C530-N674 HydrophobicContact CB-CB 4.36Å; C530-N674 WeakPolarHBondContact O-CB 3.27Å; N641-N674 PolarHBondContact OD1-ND2 2.91Å; R670-N674 PolarHBondContact O-ND2 3.34Å; V671-N674 CarbonylContact O-C 3.23Å; V671-N674 PolarHBondContact O-N 3.48Å; V671-N674 VanDerWaalsContact O-O 3.13Å; V672-N674 PolarHBondContact O-N 2.78Å; V672-N674 VanDerWaalsContact O-N 3.1Å; N674-L676 PolarHBondContact O-N 3Å
675V60Low61.2Low67 Ų6762.5 Ų62.541%0.40634%0.344SS..  trans-57.2129-161.9-178.80000112.8F518 I531 Y532F518-V675 HydrophobicContact CD2-CB 4.46Å; F518-V675 HydrophobicContact CD2-CG2 3.9Å; F518-V675 HydrophobicContact CE2-CG2 4.29Å; I531-V675 HydrophobicContact CD1-CB 4.13Å; I531-V675 HydrophobicContact CD1-CG1 4Å; I531-V675 HydrophobicContact CG1-CB 4.03Å; I531-V675 HydrophobicContact CG1-CG1 4.26Å; I531-V675 WeakPolarHBondContact CG1-O 3.33Å; Y532-V675 PolarHBondContact N-O 3.1Å
676L64.3Low61.2Low87 Ų8760.8 Ų60.846%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-101.8128.3169.7-167.7118.3000109.5Y532 P659 N674 N678Y532-L676 HydrophobicContact CD1-CD1 3.63Å; Y532-L676 HydrophobicContact CD1-CG 4.21Å; Y532-L676 HydrophobicContact CE1-CD1 4.35Å; P659-L676 HydrophobicContact CG-CD1 4.38Å; N674-L676 PolarHBondContact O-N 3Å; L676-N678 WeakPolarHBondContact CD2-OD1 3.45Å
677L68.8Low61.1Low7 Ų755.8 Ų55.84%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-132.8115-175.9-163.5136.5000111.8Q511 K514 I515 Y532 V533 S534 F679Q511-L677 HydrophobicContact CB-CD2 3.95Å; Q511-L677 HydrophobicContact CG-CD2 3.83Å; K514-L677 HydrophobicContact CB-CD1 3.36Å; K514-L677 HydrophobicContact CD-CD1 3.52Å; K514-L677 HydrophobicContact CG-CD1 4.07Å; I515-L677 HydrophobicContact CD1-CD2 4.38Å; I515-L677 HydrophobicContact CG1-CD1 4.46Å; Y532-L677 PolarHBondContact O-N 3Å; V533-L677 WeakPolarHBondContact CA-O 3.26Å; V533-L677 HydrophobicContact CG1-CD2 4.44Å; S534-L677 PolarHBondContact N-O 3.4Å; L677-F679 HydrophobicContact CD2-CD2 3.68Å; L677-F679 HydrophobicContact CD2-CE2 3.22Å; L677-F679 HydrophobicContact CD2-CZ 4.16Å
678N75.2Confident61.2Low54 Ų5459.7 Ų59.729%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-97.3132.1-176.8-59.8-24.3000111S534 L656 L676S534-N678 PolarHBondContact OG-OD1 3.3Å; L656-N678 HydrophobicContact CD2-CB 4.15Å; L676-N678 WeakPolarHBondContact CD2-OD1 3.45Å
679F72Confident61.3Low2 Ų262.9 Ų62.91%0.00937%0.37CS..EExtended strand (participates in β ladder)trans-99.1106169-80-114.9000109R508 Q511 I515 V533 S534 G535 K541 T544 L677R508-F679 HydrophobicContact CG-CE1 4.36Å; Q511-F679 HydrophobicContact CB-CE1 3.99Å; Q511-F679 HydrophobicContact CB-CE2 3.99Å; Q511-F679 HydrophobicContact CB-CZ 3.56Å; Q511-F679 HydrophobicContact CG-CD1 4.42Å; Q511-F679 HydrophobicContact CG-CD2 4.31Å; Q511-F679 HydrophobicContact CG-CE1 4.13Å; Q511-F679 HydrophobicContact CG-CE2 4.03Å; Q511-F679 HydrophobicContact CG-CG 4.49Å; Q511-F679 HydrophobicContact CG-CZ 3.93Å; I515-F679 HydrophobicContact CD1-CE2 4.28Å; I515-F679 HydrophobicContact CD1-CZ 4.16Å; V533-F679 HydrophobicContact CG1-CD2 3.61Å; V533-F679 HydrophobicContact CG1-CE2 3.42Å; V533-F679 VanDerWaalsContact CG1-CE2 3.42Å; S534-F679 WeakPolarHBondContact O-CB 3.36Å; S534-F679 PolarHBondContact O-N 3.27Å; G535-F679 WeakPolarHBondContact CA-O 3.39Å; K541-F679 HydrophobicContact CD-CB 4.4Å; K541-F679 HydrophobicContact CG-CB 3.94Å; K541-F679 HydrophobicContact CG-CD1 4.06Å; K541-F679 HydrophobicContact CG-CD2 4Å; K541-F679 HydrophobicContact CG-CG 3.76Å; T544-F679 HydrophobicContact CG2-CE1 4.21Å; T544-F679 HydrophobicContact CG2-CZ 3.89Å; T544-F679 WeakPolarHBondContact OG1-CE1 3.41Å; L677-F679 HydrophobicContact CD2-CD2 3.68Å; L677-F679 HydrophobicContact CD2-CE2 3.22Å; L677-F679 HydrophobicContact CD2-CZ 4.16Å
680H65.7Low61.1Low115 Ų11562.1 Ų62.153%0.53236%0.359SS..  trans-88147.9171.3-59.3-65.7000110.1R508R508-H680 VanDerWaalsContact CZ-O 3.23Å; R508-H680 PolarHBondContact NH1-O 3.26Å; R508-H680 PolarHBondContact NH2-O 2.94Å
681S50.5Low60.9Low155 Ų15563.3 Ų63.3100%1.08437%0.374SS*.  trans-53.30177.552.80000111.9

Retrieved 681 of 681 residues in 340.6 ms (Link to these results)

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