A0A087XXT0_POEFO Loading...

Sister chromatid cohesion protein DCC1

AlphaFold DB , UniProt , Accession A0A087XXT0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1M73.1Confident85.2Confident191 Ų19183.1 Ų83.194%0.94142%0.42SS*.  0141.70-69.2-151.6-132.100107.6H111M1-H111 HydrophobicContact SD-CB 3.55Å; M1-H111 VanDerWaalsContact SD-CB 3.55Å; M1-H111 PolarHBondContact SD-CD2 2.8Å
2R82Confident85.3Confident134 Ų13489.4 Ų89.451%0.50645%0.447SS..  trans-72.3142.6-175.9-69.6-170.3-177.6-171.41.1112.3E6 H111R2-E6 WeakPolarHBondContact CA-OE2 3.15Å; R2-H111 PolarHBondContact N-CE1 3.35Å; R2-H111 PolarHBondContact O-CE1 2.94Å; R2-H111 PolarHBondContact O-NE2 2.86Å; R2-H111 VanDerWaalsContact O-NE2 3.1Å
3T87.1Confident85.8Confident62 Ų6293.6 Ų93.638%0.3847%0.469SS..  trans-91.1165.517568.50000111.8E5 E6 V7T3-E5 VanDerWaalsContact C-N 3.25Å; T3-E5 PolarHBondContact O-N 3.47Å; T3-E6 PolarHBondContact N-OE2 2.76Å; T3-E6 VanDerWaalsContact N-OE2 3.11Å; T3-E6 PolarHBondContact O-N 3.1Å; T3-E6 WeakPolarHBondContact OG1-CG 3.45Å; T3-E6 PolarHBondContact OG1-N 3.36Å; T3-V7 WeakPolarHBondContact O-CG2 3.37Å; T3-V7 PolarHBondContact O-N 3.12Å; T3-V7 VanDerWaalsContact O-N 3.09Å
4L85.8Confident86Confident56 Ų5690.9 Ų90.929%0.29347%0.468SS..Hα-helixtrans-58.6-39.3174.4-174.369.2000111.6E6 V7 Q8 P107 V109L4-E6 PolarHBondContact O-N 3.05Å; L4-V7 WeakPolarHBondContact O-CB 3.48Å; L4-V7 PolarHBondContact O-N 3.45Å; L4-Q8 WeakPolarHBondContact O-CG 3.46Å; L4-Q8 PolarHBondContact O-N 3.39Å; L4-P107 HydrophobicContact CD1-CB 4.3Å; L4-V109 HydrophobicContact CB-CG2 4.02Å; L4-V109 HydrophobicContact CD1-CG2 3.77Å
5E86.6Confident86.2Confident149 Ų14997.4 Ų97.470%0.69649%0.492SS*.Hα-helixtrans-61.5-42.2177.7-63.1155.8174.200111.7T3 V7 Q8 A9T3-E5 VanDerWaalsContact C-N 3.25Å; T3-E5 PolarHBondContact O-N 3.47Å; E5-V7 VanDerWaalsContact C-N 3.33Å; E5-Q8 PolarHBondContact O-N 3.25Å; E5-A9 WeakPolarHBondContact O-CB 3.43Å; E5-A9 PolarHBondContact O-N 3.18Å
6E86.8Confident86.3Confident99 Ų9997.5 Ų97.546%0.46349%0.494SS..Hα-helixtrans-67-35176-70.3175.4165.600112.3R2 T3 L4 T10R2-E6 WeakPolarHBondContact CA-OE2 3.15Å; T3-E6 PolarHBondContact N-OE2 2.76Å; T3-E6 VanDerWaalsContact N-OE2 3.11Å; T3-E6 PolarHBondContact O-N 3.1Å; T3-E6 WeakPolarHBondContact OG1-CG 3.45Å; T3-E6 PolarHBondContact OG1-N 3.36Å; L4-E6 PolarHBondContact O-N 3.05Å; E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 VanDerWaalsContact O-N 3.12Å; E6-T10 PolarHBondContact O-OG1 3.11Å
7V86.6Confident86.1Confident14 Ų1498.8 Ų98.89%0.08550%0.495CS..Hα-helixtrans-65.9-48.1174.4168.40000110.5T3 L4 E5 A9 T10 L11 V25 V109T3-V7 WeakPolarHBondContact O-CG2 3.37Å; T3-V7 PolarHBondContact O-N 3.12Å; T3-V7 VanDerWaalsContact O-N 3.09Å; L4-V7 WeakPolarHBondContact O-CB 3.48Å; L4-V7 PolarHBondContact O-N 3.45Å; E5-V7 VanDerWaalsContact C-N 3.33Å; V7-A9 PolarHBondContact O-N 3.09Å; V7-T10 WeakPolarHBondContact O-CA 3.42Å; V7-T10 VanDerWaalsContact O-CB 3.31Å; V7-T10 WeakPolarHBondContact O-CB 3.35Å; V7-T10 PolarHBondContact O-N 2.9Å; V7-L11 HydrophobicContact CG1-CD1 4.44Å; V7-L11 PolarHBondContact O-N 3.42Å; V7-V25 HydrophobicContact CG1-CB 4.24Å; V7-V25 HydrophobicContact CG1-CG1 3.8Å; V7-V25 HydrophobicContact CG1-CG2 3.99Å; V7-V25 HydrophobicContact CG2-CG1 4.28Å; V7-V109 HydrophobicContact CG2-CG2 4.04Å
8Q85.6Confident85.8Confident67 Ų6799.3 Ų99.331%0.31350%0.496SS..Hα-helixtrans-60.6-44.5178.7-71.1-179.3-43.500111.9L4 E5 T10 L11 E12 E18L4-Q8 WeakPolarHBondContact O-CG 3.46Å; L4-Q8 PolarHBondContact O-N 3.39Å; E5-Q8 PolarHBondContact O-N 3.25Å; Q8-T10 PolarHBondContact O-N 3.01Å; Q8-L11 WeakPolarHBondContact O-CB 3.2Å; Q8-L11 PolarHBondContact O-N 2.89Å; Q8-L11 VanDerWaalsContact O-N 3.11Å; Q8-E12 PolarHBondContact O-N 2.86Å; Q8-E18 WeakPolarHBondContact CG-OE1 3.31Å; Q8-E18 PolarHBondContact NE2-OE1 2.79Å
9A87.9Confident85.6Confident47 Ų47101.9 Ų101.939%0.38851%0.506SS..Hα-helixtrans-59-36173.500000112.4E5 V7 I13E5-A9 WeakPolarHBondContact O-CB 3.43Å; E5-A9 PolarHBondContact O-N 3.18Å; V7-A9 PolarHBondContact O-N 3.09Å; A9-I13 WeakPolarHBondContact O-CD1 3.36Å; A9-I13 VanDerWaalsContact O-CG1 3.29Å; A9-I13 WeakPolarHBondContact O-CG1 3.47Å; A9-I13 PolarHBondContact O-N 3.07Å
10T87.9Confident85.5Confident65 Ų65102.8 Ų102.840%0.39951%0.513SS..Hα-helixtrans-68-39.7176.1-54.80000111.7E6 V7 Q8 I13 A14E6-T10 PolarHBondContact O-N 3.38Å; E6-T10 VanDerWaalsContact O-N 3.12Å; E6-T10 PolarHBondContact O-OG1 3.11Å; V7-T10 WeakPolarHBondContact O-CA 3.42Å; V7-T10 VanDerWaalsContact O-CB 3.31Å; V7-T10 WeakPolarHBondContact O-CB 3.35Å; V7-T10 PolarHBondContact O-N 2.9Å; Q8-T10 PolarHBondContact O-N 3.01Å; T10-I13 PolarHBondContact O-N 3.38Å; T10-A14 WeakPolarHBondContact O-CB 3.34Å; T10-A14 PolarHBondContact O-N 3.46Å
11L87.4Confident85.5Confident30 Ų30101.9 Ų101.916%0.15751%0.509CS..Hα-helixtrans-63.4-43.5176.9-68.1175000111.8V7 Q8 I13 A14 K15 L16 E18 L21V7-L11 HydrophobicContact CG1-CD1 4.44Å; V7-L11 PolarHBondContact O-N 3.42Å; Q8-L11 WeakPolarHBondContact O-CB 3.2Å; Q8-L11 PolarHBondContact O-N 2.89Å; Q8-L11 VanDerWaalsContact O-N 3.11Å; L11-I13 PolarHBondContact O-N 3.5Å; L11-A14 CarbonylContact O-C 3.57Å; L11-A14 PolarHBondContact O-N 2.89Å; L11-K15 PolarHBondContact O-N 3.29Å; L11-L16 HydrophobicContact CD2-CB 4.07Å; L11-L16 HydrophobicContact CD2-CD1 3.97Å; L11-L16 PolarHBondContact O-N 2.62Å; L11-L16 VanDerWaalsContact O-N 3.12Å; L11-E18 HydrophobicContact CD1-CG 4.12Å; L11-L21 HydrophobicContact CD1-CD1 4.1Å; L11-L21 HydrophobicContact CD2-CD1 3.6Å
12E87.4Confident86Confident159 Ų15997 Ų9774%0.74349%0.486SS*.Hα-helixtrans-59-45.3175.7-72.1-172.6166.300111.9Q8 A14 K15Q8-E12 PolarHBondContact O-N 2.86Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 3.12Å; E12-K15 PolarHBondContact O-N 2.69Å; E12-K15 VanDerWaalsContact O-N 3.15Å
13I90.9Very high86.1Confident144 Ų14492.2 Ų92.274%0.73847%0.474SS*.Hα-helixtrans-63.1-41.5176.9-66.9165.7000110.9A9 T10 L11 K15A9-I13 WeakPolarHBondContact O-CD1 3.36Å; A9-I13 VanDerWaalsContact O-CG1 3.29Å; A9-I13 WeakPolarHBondContact O-CG1 3.47Å; A9-I13 PolarHBondContact O-N 3.07Å; T10-I13 PolarHBondContact O-N 3.38Å; L11-I13 PolarHBondContact O-N 3.5Å; I13-K15 PolarHBondContact O-N 3.13Å
14A88.3Confident86.1Confident55 Ų5589.8 Ų89.846%0.45546%0.459SS..Hα-helixtrans-73.2-8.4178.500000113.5T10 L11 E12 L16T10-A14 WeakPolarHBondContact O-CB 3.34Å; T10-A14 PolarHBondContact O-N 3.46Å; L11-A14 CarbonylContact O-C 3.57Å; L11-A14 PolarHBondContact O-N 2.89Å; E12-A14 VanDerWaalsContact C-N 3.33Å; E12-A14 PolarHBondContact O-N 3.12Å; A14-L16 HydrophobicContact CB-CD1 3.99Å; A14-L16 HydrophobicContact CB-CG 3.99Å; A14-L16 PolarHBondContact O-N 3.41Å
15K90.2Very high86.2Confident189 Ų18989.3 Ų89.382%0.82246%0.458SS*.THydrogen-bonded Turntrans56.532.9-174.4-54.5179.6-179.4178.40113L11 E12 I13L11-K15 PolarHBondContact O-N 3.29Å; E12-K15 PolarHBondContact O-N 2.69Å; E12-K15 VanDerWaalsContact O-N 3.15Å; I13-K15 PolarHBondContact O-N 3.13Å
16L86.8Confident86.2Confident99 Ų9984.5 Ų84.552%0.51844%0.436SS..  trans-88142.9172.9-66.9172.4000108.9L11 A14L11-L16 HydrophobicContact CD2-CB 4.07Å; L11-L16 HydrophobicContact CD2-CD1 3.97Å; L11-L16 PolarHBondContact O-N 2.62Å; L11-L16 VanDerWaalsContact O-N 3.12Å; A14-L16 HydrophobicContact CB-CD1 3.99Å; A14-L16 HydrophobicContact CB-CG 3.99Å; A14-L16 PolarHBondContact O-N 3.41Å
17K83.9Confident86.4Confident119 Ų11980.9 Ų80.952%0.51742%0.421SS..  trans-95.5133.2177-52.1-172.3-178.6177.30110.3E19 D20K17-E19 HydrophobicContact CB-CG 3.87Å; K17-E19 HydrophobicContact CD-CG 4.09Å; K17-E19 WeakPolarHBondContact CD-OE1 3.41Å; K17-E19 IonicContact NZ-OE1 3.38Å; K17-E19 PolarHBondContact NZ-OE1 3.21Å; K17-E19 PolarHBondContact O-N 3.06Å; K17-D20 PolarHBondContact O-N 3.13Å; K17-D20 VanDerWaalsContact O-N 3.16Å
18E79.9Confident86.5Confident109 Ų10984 Ų8451%0.50944%0.436SS..G310 helixtrans-61.7-31.1178.6-67.6-174.4159.100112.5Q8 L11 D20 L21Q8-E18 WeakPolarHBondContact CG-OE1 3.31Å; Q8-E18 PolarHBondContact NE2-OE1 2.79Å; L11-E18 HydrophobicContact CD1-CG 4.12Å; E18-D20 PolarHBondContact O-N 3.47Å; E18-L21 PolarHBondContact O-N 3.17Å; E18-L21 VanDerWaalsContact O-N 3.12Å
19E82Confident86.7Confident148 Ų14883 Ų8369%0.69244%0.437SS*.G310 helixtrans-63.3-19.6177.565.8-161.4-166.100114.2K17K17-E19 HydrophobicContact CB-CG 3.87Å; K17-E19 HydrophobicContact CD-CG 4.09Å; K17-E19 WeakPolarHBondContact CD-OE1 3.41Å; K17-E19 IonicContact NZ-OE1 3.38Å; K17-E19 PolarHBondContact NZ-OE1 3.21Å; K17-E19 PolarHBondContact O-N 3.06Å
20D84Confident86.7Confident119 Ų11986.8 Ų86.864%0.63645%0.445SS*.G310 helixtrans-96.21.9179.6-61.8-38.3000112.4K17 E18K17-D20 PolarHBondContact O-N 3.13Å; K17-D20 VanDerWaalsContact O-N 3.16Å; E18-D20 PolarHBondContact O-N 3.47Å
21L84.9Confident86.4Confident84 Ų8484.4 Ų84.444%0.4443%0.433SS..SBendtrans-119.3158.3-174-60.3176000112L11 E18L11-L21 HydrophobicContact CD1-CD1 4.1Å; L11-L21 HydrophobicContact CD2-CD1 3.6Å; E18-L21 PolarHBondContact O-N 3.17Å; E18-L21 VanDerWaalsContact O-N 3.12Å
22L84.3Confident86.1Confident88 Ų8890.7 Ų90.746%0.46147%0.467SS..  trans-73152.9169.5-65.8175.7000110.8T24 P97 L100L22-T24 PolarHBondContact O-N 3.21Å; L22-P97 HydrophobicContact CD1-CB 3.84Å; L22-P97 HydrophobicContact CD1-CG 4.42Å; L22-L100 HydrophobicContact CD1-CB 4.41Å; L22-L100 HydrophobicContact CD1-CD1 4.29Å
23S85Confident85.5Confident34 Ų3490.3 Ų90.324%0.23847%0.47CS..SBendtrans-61.3-31.9178.155.30000112.9Q104 P107 H108S23-Q104 PolarHBondContact OG-O 3.45Å; S23-P107 WeakPolarHBondContact O-CA 3.45Å; S23-H108 PolarHBondContact O-N 2.87Å; S23-H108 VanDerWaalsContact O-N 3.12Å
24T86.3Confident84.9Confident12 Ų1285.1 Ų85.17%0.07445%0.445CS..EExtended strand (participates in β ladder)trans-85.4123-178.6-50.70000111.4L22 L100 H108 E110L22-T24 PolarHBondContact O-N 3.21Å; T24-L100 HydrophobicContact CG2-CD1 4.31Å; T24-L100 HydrophobicContact CG2-CD2 3.99Å; T24-H108 PolarHBondContact OG1-CE1 3.36Å; T24-E110 HydrophobicContact CG2-CG 3.95Å
25V87.1Confident84.3Confident45 Ų4584 Ų8427%0.27343%0.434SS..EExtended strand (participates in β ladder)trans-108.4113.5173.8-177.60000110.8V7 C27 H108 V109 E110V7-V25 HydrophobicContact CG1-CB 4.24Å; V7-V25 HydrophobicContact CG1-CG1 3.8Å; V7-V25 HydrophobicContact CG1-CG2 3.99Å; V7-V25 HydrophobicContact CG2-CG1 4.28Å; V25-C27 PolarHBondContact O-N 2.77Å; V25-H108 PolarHBondContact N-O 3.17Å; V25-V109 CarbonylContact O-C 3.48Å; V25-V109 WeakPolarHBondContact O-CA 3.21Å; V25-E110 PolarHBondContact O-N 2.63Å
26H88Confident83.5Confident49 Ų4978.6 Ų78.623%0.22742%0.42CS..EExtended strand (participates in β ladder)trans-81.8115.1173.2-71.1112.5000111.5R95 E110 T112H26-R95 PolarHBondContact CE1-O 3.47Å; H26-R95 VanDerWaalsContact CE1-O 3.26Å; H26-E110 CarbonylContact C-O 3.55Å; H26-E110 WeakPolarHBondContact CA-O 3.36Å; H26-E110 IonicContact CD2-OE2 3.68Å; H26-E110 IonicContact NE2-OE2 3.75Å; H26-E110 PolarHBondContact NE2-OE2 2.8Å; H26-T112 PolarHBondContact CD2-OG1 2.97Å
27C89.1Confident82.9Confident22 Ų2278.5 Ų78.515%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-96.5100.4172-176.90000109.5V25 V109 E110 H111 T112V25-C27 PolarHBondContact O-N 2.77Å; C27-V109 HydrophobicContact CB-CG1 3.96Å; C27-E110 PolarHBondContact N-O 2.95Å; C27-H111 WeakPolarHBondContact CB-ND1 3.28Å; C27-T112 PolarHBondContact O-N 3.22Å; C27-T112 VanDerWaalsContact O-N 3.13Å
28L90.2Very high82.9Confident79 Ų7977.9 Ų77.941%0.41443%0.43SS..EExtended strand (participates in β ladder)trans-79134.8179.9-55.7-178.1000111.3L89 V91 T112 I114L28-L89 HydrophobicContact CD1-CD1 4.41Å; L28-V91 HydrophobicContact CD2-CG1 3.89Å; L28-T112 WeakPolarHBondContact CA-O 3.4Å; L28-I114 HydrophobicContact CB-CD1 4.19Å; L28-I114 HydrophobicContact CB-CG1 4.31Å
29S89.5Confident83.2Confident48 Ų4877.9 Ų77.934%0.33643%0.426SS..EExtended strand (participates in β ladder)trans-137.7148173.456.20000110.5T112 Q113 I114S29-T112 PolarHBondContact N-O 3.48Å; S29-Q113 CarbonylContact O-C 3.59Å; S29-Q113 WeakPolarHBondContact O-CA 3.47Å; S29-I114 PolarHBondContact O-N 3.48Å
30F87.9Confident83.5Confident125 Ų12574.9 Ų74.955%0.54842%0.421SS..EExtended strand (participates in β ladder)trans-71.9130.7172.7-70.4-83.7000109.5V34 I114 F117F30-V34 HydrophobicContact CB-CG2 4.3Å; F30-V34 HydrophobicContact CD1-CB 4.26Å; F30-V34 HydrophobicContact CD1-CG1 3.97Å; F30-V34 HydrophobicContact CD1-CG2 4.26Å; F30-V34 HydrophobicContact CE1-CG1 4.49Å; F30-I114 HydrophobicContact CD1-CB 4.2Å; F30-I114 HydrophobicContact CD1-CD1 4.17Å; F30-I114 HydrophobicContact CD1-CG2 4.13Å; F30-I114 HydrophobicContact CD2-CD1 4.4Å; F30-I114 HydrophobicContact CE1-CD1 3.99Å; F30-I114 HydrophobicContact CE1-CG2 4.11Å; F30-I114 HydrophobicContact CE2-CD1 4.23Å; F30-I114 HydrophobicContact CG-CD1 4.37Å; F30-I114 HydrophobicContact CZ-CD1 4.02Å; F30-F117 HydrophobicContact CE1-CD1 4.23Å
31G82.3Confident84Confident15 Ų1571.8 Ų71.816%0.15540%0.404CS..EExtended strand (participates in β ladder)trans-66.4164.9168.700000112N33 V34 I114G31-N33 PolarHBondContact O-N 3.28Å; G31-V34 VanDerWaalsContact N-CG2 3.34Å; G31-V34 WeakPolarHBondContact O-CG2 3.29Å; G31-V34 PolarHBondContact O-N 2.98Å; G31-I114 PolarHBondContact N-O 3.11Å
32D79.3Confident84.4Confident163 Ų16370.9 Ų70.987%0.87240%0.398SS*.EExtended strand (participates in β ladder)trans-66.6-22-174-62.6-42.5000113.9
33N76Confident84.9Confident150 Ų15071.8 Ų71.880%0.80240%0.4SS*.EExtended strand (participates in β ladder)trans-117.628.7-176.9-66.7-24.7000113.4G31 S35G31-N33 PolarHBondContact O-N 3.28Å; N33-S35 PolarHBondContact O-N 3.03Å
34V77.6Confident85.3Confident35 Ų3572.5 Ų72.521%0.21240%0.401CS..EExtended strand (participates in β ladder)trans-70.1117.4-178.7178.80000110.7F30 G31 I114 F117F30-V34 HydrophobicContact CB-CG2 4.3Å; F30-V34 HydrophobicContact CD1-CB 4.26Å; F30-V34 HydrophobicContact CD1-CG1 3.97Å; F30-V34 HydrophobicContact CD1-CG2 4.26Å; F30-V34 HydrophobicContact CE1-CG1 4.49Å; G31-V34 VanDerWaalsContact N-CG2 3.34Å; G31-V34 WeakPolarHBondContact O-CG2 3.29Å; G31-V34 PolarHBondContact O-N 2.98Å; V34-I114 WeakPolarHBondContact CG2-O 3.47Å; V34-F117 HydrophobicContact CG1-CD1 3.87Å; V34-F117 HydrophobicContact CG1-CE1 3.99Å
35S76.1Confident85.6Confident31 Ų3175.7 Ų75.722%0.21742%0.417CS..EExtended strand (participates in β ladder)trans-120.1157.6168.992.70000111N33 S37 D38N33-S35 PolarHBondContact O-N 3.03Å; S35-S37 VanDerWaalsContact C-N 3.26Å; S35-S37 PolarHBondContact OG-N 3.04Å; S35-S37 VanDerWaalsContact OG-N 3.14Å; S35-S37 PolarHBondContact OG-OG 3.22Å; S35-S37 VanDerWaalsContact OG-OG 3.09Å; S35-D38 WeakPolarHBondContact CB-OD2 3.42Å; S35-D38 PolarHBondContact OG-N 3.46Å; S35-D38 PolarHBondContact OG-OD1 3.4Å; S35-D38 PolarHBondContact OG-OD2 3.42Å
36S72.9Confident85.9Confident77 Ų7780 Ų8054%0.53843%0.434SS..SBendtrans-83.9-0.6171.162.40000113.2
37S75.4Confident86.1Confident97 Ų9781.7 Ų81.768%0.67845%0.449SS*.SBendtrans-109.5-17-170.749.10000114.4S35 Y39S35-S37 VanDerWaalsContact C-N 3.26Å; S35-S37 PolarHBondContact OG-N 3.04Å; S35-S37 VanDerWaalsContact OG-N 3.14Å; S35-S37 PolarHBondContact OG-OG 3.22Å; S35-S37 VanDerWaalsContact OG-OG 3.09Å; S37-Y39 VanDerWaalsContact C-N 3.34Å
38D83.1Confident86.4Confident105 Ų10580.7 Ų80.756%0.56144%0.442SS*.SBendtrans-79-20.5-173.7-59.5-33.5000113.2S35S35-D38 WeakPolarHBondContact CB-OD2 3.42Å; S35-D38 PolarHBondContact OG-N 3.46Å; S35-D38 PolarHBondContact OG-OD1 3.4Å; S35-D38 PolarHBondContact OG-OD2 3.42Å
39Y86.6Confident86.6Confident110 Ų11079.1 Ų79.143%0.43144%0.437SS..  trans-130.2141.3-178-59.3-81.8000110.9S37 L90S37-Y39 VanDerWaalsContact C-N 3.34Å; Y39-L90 HydrophobicContact CD1-CD1 4.39Å; Y39-L90 HydrophobicContact CD2-CD1 4.01Å; Y39-L90 HydrophobicContact CG-CD1 3.68Å
40C88.9Confident86.9Confident85 Ų8582.2 Ų82.257%0.57444%0.444SS*.  trans-122.8147.4167.5830000109.7
41L92.6Very high87.1Confident53 Ų5377.8 Ų77.828%0.27743%0.426SS..EExtended strand (participates in β ladder)trans-95138.1171.3-68.8176.2000109L88 L90 C118 Y121 W122L41-L88 HydrophobicContact CD1-CB 4.07Å; L41-L88 HydrophobicContact CD1-CD1 3.55Å; L41-L88 HydrophobicContact CD1-CG 4.45Å; L41-L90 HydrophobicContact CD2-CD2 3.87Å; L41-L90 HydrophobicContact CG-CD2 4.42Å; L41-C118 HydrophobicContact CD1-CB 3.94Å; L41-C118 HydrophobicContact CG-CB 4.3Å; L41-Y121 CarbonylContact O-C 3.52Å; L41-Y121 WeakPolarHBondContact O-CA 3.47Å; L41-W122 PolarHBondContact O-N 2.99Å
42M94.1Very high87.7Confident65 Ų6580.9 Ų80.932%0.3244%0.438SS..EExtended strand (participates in β ladder)trans-132.6128175.4-172.7173.4-66.600109.1L44 L70 L79 W122 L124M42-L44 HydrophobicContact CG-CD2 3.83Å; M42-L44 HydrophobicContact SD-CD2 3.9Å; M42-L70 HydrophobicContact SD-CD2 3.88Å; M42-L79 HydrophobicContact CE-CD2 3.84Å; M42-W122 CarbonylContact C-O 3.56Å; M42-W122 WeakPolarHBondContact CA-O 3.47Å; M42-W122 HydrophobicContact CB-CB 4.26Å; M42-W122 HydrophobicContact CE-CB 4.16Å; M42-W122 HydrophobicContact CE-CG 4.44Å; M42-W122 HydrophobicContact CG-CB 4.05Å; M42-L124 HydrophobicContact CG-CD1 4.32Å; M42-L124 HydrophobicContact CG-CG 4.29Å; M42-L124 HydrophobicContact SD-CD1 4.05Å; M42-L124 HydrophobicContact SD-CD2 4.24Å; M42-L124 HydrophobicContact SD-CG 4.3Å
43E94.3Very high88.5Confident108 Ų10880.8 Ų80.851%0.50543%0.432SS..EExtended strand (participates in β ladder)trans-81.3120.9173.4-173.7-177.9168.500109.1Y121 W122E43-Y121 HydrophobicContact CB-CD2 4.12Å; E43-Y121 HydrophobicContact CB-CE2 4.27Å; E43-Y121 WeakPolarHBondContact OE2-CE2 3.34Å; E43-W122 PolarHBondContact N-O 3.17Å
44L94.2Very high89.4Confident49 Ų4977.3 Ų77.326%0.25743%0.425SS..  trans-116.2139.4178.3-57.3-176.6000109.3M42 L48 I52 L124M42-L44 HydrophobicContact CG-CD2 3.83Å; M42-L44 HydrophobicContact SD-CD2 3.9Å; L44-L48 HydrophobicContact CB-CB 4.15Å; L44-L48 HydrophobicContact CD2-CB 4.35Å; L44-L48 HydrophobicContact CD2-CD1 4.14Å; L44-I52 HydrophobicContact CD1-CD1 3.35Å; L44-L124 HydrophobicContact CD2-CD1 3.38Å
45D92.8Very high90.1Very high78 Ų7878.7 Ų78.742%0.41745%0.446SS..  trans-76.7170.1169.171.924.3000111.3T47 L48 C49D45-T47 PolarHBondContact O-N 3.34Å; D45-T47 VanDerWaalsContact O-N 3.13Å; D45-T47 WeakPolarHBondContact OD1-CA 3.39Å; D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 PolarHBondContact OD1-N 3.39Å; D45-L48 PolarHBondContact O-N 3.31Å; D45-L48 PolarHBondContact OD1-N 3.26Å; D45-C49 PolarHBondContact O-N 3.3Å; D45-C49 PolarHBondContact O-SG 3.2Å; D45-C49 VanDerWaalsContact O-SG 3.34Å
46E93.9Very high91Very high135 Ų13581.3 Ų81.363%0.63146%0.455SS*.Hα-helixtrans-58.3-28.3-179.6-166.9-173.8161.200112.8K50E46-K50 HydrophobicContact CG-CD 4.5Å; E46-K50 VanDerWaalsContact O-CG 3.27Å; E46-K50 WeakPolarHBondContact O-CG 3.3Å; E46-K50 PolarHBondContact O-N 3.12Å; E46-K50 VanDerWaalsContact OE1-CE 3.28Å; E46-K50 WeakPolarHBondContact OE1-CE 2.95Å; E46-K50 IonicContact OE1-NZ 3.5Å; E46-K50 PolarHBondContact OE1-NZ 2.59Å
47T92.3Very high91.9Very high86 Ų8682.4 Ų82.453%0.52846%0.462SS..Hα-helixtrans-70.7-51179.6-47.70000109.7D45 C49 K50 L51D45-T47 PolarHBondContact O-N 3.34Å; D45-T47 VanDerWaalsContact O-N 3.13Å; D45-T47 WeakPolarHBondContact OD1-CA 3.39Å; D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 PolarHBondContact OD1-N 3.39Å; T47-C49 VanDerWaalsContact C-N 3.35Å; T47-C49 PolarHBondContact O-N 3.26Å; T47-K50 PolarHBondContact O-N 3.07Å; T47-L51 WeakPolarHBondContact O-CG 3.26Å; T47-L51 PolarHBondContact O-N 3.19Å; T47-L51 VanDerWaalsContact O-N 3.1Å
48L93.8Very high92.9Very high1 Ų179.9 Ų79.91%0.00544%0.441CS..Hα-helixtrans-65.1-37.7179-68.9176000112.1L44 D45 K50 L51 I52 L58 Y77 L124L44-L48 HydrophobicContact CB-CB 4.15Å; L44-L48 HydrophobicContact CD2-CB 4.35Å; L44-L48 HydrophobicContact CD2-CD1 4.14Å; D45-L48 PolarHBondContact O-N 3.31Å; D45-L48 PolarHBondContact OD1-N 3.26Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.11Å; L48-L51 HydrophobicContact CD2-CD1 4.16Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 2.98Å; L48-I52 VanDerWaalsContact O-N 3.09Å; L48-L58 HydrophobicContact CD2-CD1 4.31Å; L48-L58 HydrophobicContact CD2-CD2 4.14Å; L48-Y77 HydrophobicContact CD1-CD1 4.27Å; L48-Y77 HydrophobicContact CD1-CE1 3.99Å; L48-Y77 HydrophobicContact CD2-CE1 4.39Å; L48-Y77 HydrophobicContact CD2-CE2 3.89Å; L48-Y77 HydrophobicContact CG-CE1 4.39Å; L48-L124 HydrophobicContact CD1-CD1 3.34Å
49C94.5Very high93.4Very high46 Ų4678 Ų7831%0.31143%0.434SS..Hα-helixtrans-57.4-48.4172.8-70.40000111.3D45 T47 L51 I52 E53D45-C49 PolarHBondContact O-N 3.3Å; D45-C49 PolarHBondContact O-SG 3.2Å; D45-C49 VanDerWaalsContact O-SG 3.34Å; T47-C49 VanDerWaalsContact C-N 3.35Å; T47-C49 PolarHBondContact O-N 3.26Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 3.2Å; C49-I52 PolarHBondContact O-N 3.32Å; C49-E53 WeakPolarHBondContact O-CB 3.38Å; C49-E53 VanDerWaalsContact O-CG 3.3Å; C49-E53 WeakPolarHBondContact O-CG 3.47Å; C49-E53 PolarHBondContact O-N 3.15Å
50K95.3Very high93.8Very high113 Ų11378 Ų7849%0.49144%0.44SS..Hα-helixtrans-61.6-37.2178.2-75171.7-175.8166.40113E46 T47 L48 A54E46-K50 HydrophobicContact CG-CD 4.5Å; E46-K50 VanDerWaalsContact O-CG 3.27Å; E46-K50 WeakPolarHBondContact O-CG 3.3Å; E46-K50 PolarHBondContact O-N 3.12Å; E46-K50 VanDerWaalsContact OE1-CE 3.28Å; E46-K50 WeakPolarHBondContact OE1-CE 2.95Å; E46-K50 IonicContact OE1-NZ 3.5Å; E46-K50 PolarHBondContact OE1-NZ 2.59Å; T47-K50 PolarHBondContact O-N 3.07Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.11Å; K50-A54 VanDerWaalsContact O-CB 3.28Å; K50-A54 WeakPolarHBondContact O-CB 3.09Å; K50-A54 PolarHBondContact O-N 2.99Å
51L94Very high94Very high32 Ų3275.3 Ų75.317%0.16842%0.417CS..Hα-helixtrans-62.8-47.2176-66.2178.2000111T47 L48 C49 A54 G55 E56T47-L51 WeakPolarHBondContact O-CG 3.26Å; T47-L51 PolarHBondContact O-N 3.19Å; T47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 HydrophobicContact CD2-CD1 4.16Å; L48-L51 PolarHBondContact O-N 2.88Å; C49-L51 VanDerWaalsContact C-N 3.32Å; C49-L51 PolarHBondContact O-N 3.2Å; L51-A54 PolarHBondContact O-N 3.34Å; L51-G55 PolarHBondContact O-N 3.21Å; L51-E56 HydrophobicContact CB-CB 4.28Å; L51-E56 WeakPolarHBondContact O-CB 3.14Å; L51-E56 PolarHBondContact O-N 2.98Å
52I94Very high93.8Very high79 Ų7974.1 Ų74.141%0.40542%0.418SS..Hα-helixtrans-64.9-43.5178.3-64.2175.6000111L44 L48 C49 A54 G55 L58L44-I52 HydrophobicContact CD1-CD1 3.35Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 2.98Å; L48-I52 VanDerWaalsContact O-N 3.09Å; C49-I52 PolarHBondContact O-N 3.32Å; I52-A54 PolarHBondContact O-N 3.48Å; I52-G55 WeakPolarHBondContact O-CA 3.49Å; I52-G55 PolarHBondContact O-N 3.12Å; I52-L58 HydrophobicContact CD1-CD1 3.81Å; I52-L58 HydrophobicContact CG1-CD1 4.04Å; I52-L58 HydrophobicContact CG1-CG 4.3Å
53E95.3Very high93.6Very high161 Ų16173.1 Ų73.175%0.75241%0.414SS*.Hα-helixtrans-62.2-31.7176.8-73.1173.7172.600112.6C49 G55C49-E53 WeakPolarHBondContact O-CB 3.38Å; C49-E53 VanDerWaalsContact O-CG 3.3Å; C49-E53 WeakPolarHBondContact O-CG 3.47Å; C49-E53 PolarHBondContact O-N 3.15Å; E53-G55 PolarHBondContact O-N 3.36Å
54A94.9Very high93.3Very high78 Ų7878.5 Ų78.565%0.64544%0.436SS*.THydrogen-bonded Turntrans-74.3-6.317300000113.5K50 L51 I52K50-A54 VanDerWaalsContact O-CB 3.28Å; K50-A54 WeakPolarHBondContact O-CB 3.09Å; K50-A54 PolarHBondContact O-N 2.99Å; L51-A54 PolarHBondContact O-N 3.34Å; I52-A54 PolarHBondContact O-N 3.48Å
55G93.8Very high93Very high64 Ų6483 Ų8366%0.6646%0.46SS*.THydrogen-bonded Turntrans87.911.8-178.800000114.3L51 I52 E53L51-G55 PolarHBondContact O-N 3.21Å; I52-G55 WeakPolarHBondContact O-CA 3.49Å; I52-G55 PolarHBondContact O-N 3.12Å; E53-G55 PolarHBondContact O-N 3.36Å
56E94.3Very high92.8Very high86 Ų8682.3 Ų82.340%0.40245%0.454SS..PPolyproline II helixtrans-73.7151.6172.3-62-168.8-153.800111.4L51L51-E56 HydrophobicContact CB-CB 4.28Å; L51-E56 WeakPolarHBondContact O-CB 3.14Å; L51-E56 PolarHBondContact O-N 2.98Å
57S92.9Very high92.6Very high99 Ų9985 Ų8569%0.69246%0.459SS*.PPolyproline II helixtrans-103.2138.3-179.9-63.80000111.1
58L94.5Very high92.5Very high44 Ų4483 Ų8323%0.2345%0.451CS..PPolyproline II helixtrans-99.1139169.2-55.9-179.9000109L48 I52 L70 C71L48-L58 HydrophobicContact CD2-CD1 4.31Å; L48-L58 HydrophobicContact CD2-CD2 4.14Å; I52-L58 HydrophobicContact CD1-CD1 3.81Å; I52-L58 HydrophobicContact CG1-CD1 4.04Å; I52-L58 HydrophobicContact CG1-CG 4.3Å; L58-L70 HydrophobicContact CB-CD1 3.94Å; L58-L70 HydrophobicContact CB-CD2 4.26Å; L58-L70 HydrophobicContact CB-CG 4.15Å; L58-L70 HydrophobicContact CD1-CD2 3.84Å; L58-C71 WeakPolarHBondContact CA-O 3.47Å
59V94.9Very high92.5Very high67 Ų6783 Ų8341%0.40645%0.451SS..EExtended strand (participates in β ladder)trans-120132.3-174.1-175.30000109.9R61 C71V59-R61 HydrophobicContact CG1-CG 4.01Å; V59-C71 PolarHBondContact N-O 3.18Å; V59-C71 PolarHBondContact O-N 3.27Å
60I94.1Very high92.6Very high108 Ų10881.1 Ų81.155%0.55444%0.438SS*.EExtended strand (participates in β ladder)trans-87.9128.5173-60.5175000108.7A68 V69 L70 L79I60-A68 HydrophobicContact CG2-CB 3.79Å; I60-V69 CarbonylContact C-O 3.52Å; I60-V69 VanDerWaalsContact CA-O 3.29Å; I60-V69 WeakPolarHBondContact CA-O 3.44Å; I60-L70 HydrophobicContact CG1-CD1 3.62Å; I60-L79 HydrophobicContact CG2-CD1 4.39Å
61R93.2Very high92.6Very high29 Ų2975.8 Ų75.811%0.10942%0.415CS..EExtended strand (participates in β ladder)trans-130151.9-176.6-62.5-175.5175.5179-3.8112.3V59 A68 V69 L165 A170V59-R61 HydrophobicContact CG1-CG 4.01Å; R61-A68 WeakPolarHBondContact O-CA 3.32Å; R61-V69 HydrophobicContact CB-CG2 4.06Å; R61-V69 PolarHBondContact N-O 3.15Å; R61-V69 WeakPolarHBondContact O-CG2 3.27Å; R61-V69 PolarHBondContact O-N 3.09Å; R61-L165 WeakPolarHBondContact CD-O 3.43Å; R61-A170 WeakPolarHBondContact CD-O 3.3Å; R61-A170 PolarHBondContact NH1-O 3.21Å
62G88.8Confident92.6Very high28 Ų2874.5 Ų74.529%0.28941%0.409SS..  trans138.4147.1176.200000113.2
63D89.1Confident92.6Very high45 Ų4573.3 Ų73.324%0.24141%0.407CS..  trans-72165.6175.3-83-20.1000111.8D65 E66 K133D63-D65 WeakPolarHBondContact CB-OD1 3.42Å; D63-D65 PolarHBondContact O-N 2.91Å; D63-D65 VanDerWaalsContact O-N 3.16Å; D63-E66 HydrophobicContact CB-CG 4.25Å; D63-E66 PolarHBondContact N-OE2 3.19Å; D63-E66 PolarHBondContact O-N 3.17Å; D63-K133 VanDerWaalsContact CG-NZ 3.29Å; D63-K133 WeakPolarHBondContact OD2-CE 3.47Å; D63-K133 IonicContact OD2-NZ 3.78Å; D63-K133 PolarHBondContact OD2-NZ 3.16Å
64K88.3Confident92.5Very high220 Ų22067.8 Ų67.896%0.95738%0.383SS*.THydrogen-bonded Turntrans-60.6-26.8-175.1-66.5-179.2-179.61750114.2
65D88.5Confident92.5Very high144 Ų14466.8 Ų66.877%0.7736%0.364SS*.THydrogen-bonded Turntrans-961.6179.855.1-46.1000113.2D63D63-D65 WeakPolarHBondContact CB-OD1 3.42Å; D63-D65 PolarHBondContact O-N 2.91Å; D63-D65 VanDerWaalsContact O-N 3.16Å
66E88.6Confident92.5Very high64 Ų6463.8 Ų63.830%0.29933%0.333SS..SBendtrans-109.5163.9-179.8-63.8176.8160.800111.9D63 K133D63-E66 HydrophobicContact CB-CG 4.25Å; D63-E66 PolarHBondContact N-OE2 3.19Å; D63-E66 PolarHBondContact O-N 3.17Å; E66-K133 WeakPolarHBondContact OE1-CD 3.31Å; E66-K133 IonicContact OE1-NZ 3.57Å; E66-K133 PolarHBondContact OE1-NZ 2.98Å; E66-K133 IonicContact OE2-NZ 3.91Å; E66-K133 PolarHBondContact OE2-NZ 2.84Å
67R88.9Confident92.5Very high191 Ų19160.2 Ų60.272%0.72132%0.316SS*.  trans-80.7121.5171.5-68.4-175.6-179.3172.30.7109.3Q169R67-Q169 PolarHBondContact O-NE2 3.17Å
68A91.6Very high92.5Very high44 Ų4456.5 Ų56.536%0.36429%0.288SS..  trans-54.5145.3177.800000112.9I60 R61 L79I60-A68 HydrophobicContact CG2-CB 3.79Å; R61-A68 WeakPolarHBondContact O-CA 3.32Å; A68-L79 HydrophobicContact CB-CD1 4.09Å
69V94.2Very high92.5Very high1 Ų155.4 Ų55.41%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-119.3154171.9-570000109.5I60 R61 T76 Y77 Q169I60-V69 CarbonylContact C-O 3.52Å; I60-V69 VanDerWaalsContact CA-O 3.29Å; I60-V69 WeakPolarHBondContact CA-O 3.44Å; R61-V69 HydrophobicContact CB-CG2 4.06Å; R61-V69 PolarHBondContact N-O 3.15Å; R61-V69 WeakPolarHBondContact O-CG2 3.27Å; R61-V69 PolarHBondContact O-N 3.09Å; V69-T76 HydrophobicContact CB-CG2 3.84Å; V69-T76 HydrophobicContact CG1-CG2 4.26Å; V69-T76 HydrophobicContact CG2-CG2 3.82Å; V69-Y77 CarbonylContact C-O 3.57Å; V69-Y77 WeakPolarHBondContact CA-O 3.45Å; V69-Y77 WeakPolarHBondContact CB-O 3.28Å; V69-Q169 HydrophobicContact CG1-CB 4.13Å; V69-Q169 HydrophobicContact CG2-CB 3.82Å; V69-Q169 HydrophobicContact CG2-CG 4.45Å
70L95.1Very high92.4Very high6 Ų656.1 Ų56.13%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-102.2133.2169.7-168.975000108.8M42 L58 I60 Y77 L79 L124M42-L70 HydrophobicContact SD-CD2 3.88Å; L58-L70 HydrophobicContact CB-CD1 3.94Å; L58-L70 HydrophobicContact CB-CD2 4.26Å; L58-L70 HydrophobicContact CB-CG 4.15Å; L58-L70 HydrophobicContact CD1-CD2 3.84Å; I60-L70 HydrophobicContact CG1-CD1 3.62Å; L70-Y77 PolarHBondContact N-O 2.94Å; L70-Y77 WeakPolarHBondContact O-CA 3.29Å; L70-Y77 WeakPolarHBondContact O-CB 3.15Å; L70-Y77 WeakPolarHBondContact O-CD2 3.32Å; L70-Y77 PolarHBondContact O-N 3.26Å; L70-L79 HydrophobicContact CB-CD1 4.32Å; L70-L79 HydrophobicContact CB-CD2 4.34Å; L70-L79 HydrophobicContact CB-CG 4.25Å; L70-L124 HydrophobicContact CB-CD2 3.92Å; L70-L124 HydrophobicContact CD2-CD1 3.52Å; L70-L124 HydrophobicContact CD2-CD2 3.7Å; L70-L124 HydrophobicContact CD2-CG 4.28Å; L70-L124 HydrophobicContact CG-CD2 4.48Å
71C95.6Very high92.4Very high1 Ų155.4 Ų55.41%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-119.8133.3-180-64.40000110.4L58 V59 K75 A170L58-C71 WeakPolarHBondContact CA-O 3.47Å; V59-C71 PolarHBondContact N-O 3.18Å; V59-C71 PolarHBondContact O-N 3.27Å; C71-K75 WeakPolarHBondContact CA-O 3.22Å; C71-A170 VanDerWaalsContact SG-C 3.51Å; C71-A170 PolarHBondContact SG-O 2.9Å
72S94.7Very high92.4Very high6 Ų654.8 Ų54.84%0.04228%0.277CS..  trans-80.1-172.8155.664.10000109.3D74 K75 S171S72-D74 PolarHBondContact O-N 2.85Å; S72-D74 PolarHBondContact OG-N 3.37Å; S72-D74 PolarHBondContact OG-OD1 3.36Å; S72-K75 PolarHBondContact N-O 3.14Å; S72-K75 PolarHBondContact OG-N 2.94Å; S72-K75 PolarHBondContact OG-O 3.35Å; S72-S171 VanDerWaalsContact O-CB 3.31Å; S72-S171 WeakPolarHBondContact O-CB 3.42Å
73S93.3Very high92.6Very high53 Ų5359.7 Ų59.737%0.37130%0.297SS..SBendtrans-55.9-36.4169.746.70000112.4E172 E173S73-E172 PolarHBondContact O-N 2.58Å; S73-E173 PolarHBondContact O-N 3.2Å
74D93.8Very high92.7Very high45 Ų4559.4 Ų59.424%0.24130%0.297CS..SBendtrans-127-6.4-166.476.8-39.2000116.6S72 S171 E173S72-D74 PolarHBondContact O-N 2.85Å; S72-D74 PolarHBondContact OG-N 3.37Å; S72-D74 PolarHBondContact OG-OD1 3.36Å; D74-S171 PolarHBondContact O-OG 3.4Å; D74-E173 HydrophobicContact CB-CB 4.36Å; D74-E173 HydrophobicContact CB-CG 4.25Å; D74-E173 WeakPolarHBondContact CB-OE2 3.46Å
75K94.1Very high92.8Very high57 Ų5754.8 Ų54.825%0.24829%0.292CS..  trans-140.5153.1-176.6-60.1-62.5167.7-90.80112.9C71 S72 Y77 K126 S171C71-K75 WeakPolarHBondContact CA-O 3.22Å; S72-K75 PolarHBondContact N-O 3.14Å; S72-K75 PolarHBondContact OG-N 2.94Å; S72-K75 PolarHBondContact OG-O 3.35Å; K75-Y77 HydrophobicContact CB-CE2 3.67Å; K75-K126 VanDerWaalsContact CD-CE 3.46Å; K75-S171 PolarHBondContact N-OG 3.49Å
76T94.6Very high92.9Very high1 Ų153.4 Ų53.41%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-112.3138.8175.5-59.70000112.6V69 Q127 A170 S171 E174V69-T76 HydrophobicContact CB-CG2 3.84Å; V69-T76 HydrophobicContact CG1-CG2 4.26Å; V69-T76 HydrophobicContact CG2-CG2 3.82Å; T76-Q127 HydrophobicContact CG2-CG 4.09Å; T76-Q127 PolarHBondContact O-N 3.24Å; T76-Q127 VanDerWaalsContact O-O 3.12Å; T76-A170 VanDerWaalsContact OG1-CA 3.28Å; T76-A170 WeakPolarHBondContact OG1-CA 3.47Å; T76-S171 PolarHBondContact OG1-N 3.28Å; T76-E174 WeakPolarHBondContact CB-OE2 3.45Å; T76-E174 PolarHBondContact N-OE2 2.92Å; T76-E174 PolarHBondContact OG1-OE2 3.25Å
77Y94.4Very high92.9Very high11 Ų1155 Ų554%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-127.1132.4-177-58.1-100.2000110.5L48 V69 L70 K75 L124 R125 K126L48-Y77 HydrophobicContact CD1-CD1 4.27Å; L48-Y77 HydrophobicContact CD1-CE1 3.99Å; L48-Y77 HydrophobicContact CD2-CE1 4.39Å; L48-Y77 HydrophobicContact CD2-CE2 3.89Å; L48-Y77 HydrophobicContact CG-CE1 4.39Å; V69-Y77 CarbonylContact C-O 3.57Å; V69-Y77 WeakPolarHBondContact CA-O 3.45Å; V69-Y77 WeakPolarHBondContact CB-O 3.28Å; L70-Y77 PolarHBondContact N-O 2.94Å; L70-Y77 WeakPolarHBondContact O-CA 3.29Å; L70-Y77 WeakPolarHBondContact O-CB 3.15Å; L70-Y77 WeakPolarHBondContact O-CD2 3.32Å; L70-Y77 PolarHBondContact O-N 3.26Å; K75-Y77 HydrophobicContact CB-CE2 3.67Å; Y77-L124 HydrophobicContact CD1-CB 4.4Å; Y77-R125 CarbonylContact C-O 3.32Å; Y77-R125 WeakPolarHBondContact CA-O 3.39Å; Y77-K126 HydrophobicContact CD1-CB 4.03Å; Y77-K126 HydrophobicContact CE1-CB 4.02Å; Y77-K126 HydrophobicContact CE1-CG 4.27Å
78D93.2Very high93Very high22 Ų2248.8 Ų48.812%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-74.1136.8171.1-165.236.6000109.8K80 L124 R125 Q127D78-K80 WeakPolarHBondContact OD2-CE 3.22Å; D78-K80 IonicContact OD2-NZ 3.52Å; D78-L124 WeakPolarHBondContact O-CA 3.38Å; D78-R125 HydrophobicContact CB-CB 4.44Å; D78-R125 PolarHBondContact N-O 3.27Å; D78-R125 PolarHBondContact O-N 2.89Å; D78-Q127 HydrophobicContact CB-CB 4.48Å; D78-Q127 HydrophobicContact CB-CG 4.26Å; D78-Q127 VanDerWaalsContact CB-NE2 3.33Å; D78-Q127 VanDerWaalsContact N-NE2 3.17Å
79L93.3Very high93Very high20 Ų2050 Ų5011%0.10528%0.276CS..EExtended strand (participates in β ladder)trans-98.3121.5176.9-77.3163.2000109.5M42 I60 A68 L70 W122 L124M42-L79 HydrophobicContact CE-CD2 3.84Å; I60-L79 HydrophobicContact CG2-CD1 4.39Å; A68-L79 HydrophobicContact CB-CD1 4.09Å; L70-L79 HydrophobicContact CB-CD1 4.32Å; L70-L79 HydrophobicContact CB-CD2 4.34Å; L70-L79 HydrophobicContact CB-CG 4.25Å; L79-W122 HydrophobicContact CB-CE3 3.81Å; L79-W122 HydrophobicContact CB-CZ3 3.83Å; L79-W122 HydrophobicContact CD2-CB 4.42Å; L79-W122 HydrophobicContact CD2-CD2 4.47Å; L79-W122 HydrophobicContact CD2-CE3 4.07Å; L79-L124 HydrophobicContact CD2-CD2 3.39Å; L79-L124 HydrophobicContact CG-CD2 4.09Å
80K93.6Very high92.8Very high82 Ų8251.7 Ų51.736%0.35729%0.285SS..EExtended strand (participates in β ladder)trans-127.9137.1174.6-66.5-169-176.4-174.80111.4D78 W122 E123D78-K80 WeakPolarHBondContact OD2-CE 3.22Å; D78-K80 IonicContact OD2-NZ 3.52Å; K80-W122 CarbonylContact O-C 2.94Å; K80-W122 WeakPolarHBondContact O-CA 3.4Å; K80-E123 PolarHBondContact N-O 2.84Å; K80-E123 PolarHBondContact O-N 2.91Å
81I93.5Very high92.6Very high94 Ų9452.9 Ų52.948%0.48229%0.292SS..EExtended strand (participates in β ladder)trans-83.4128.6172.5-57.2178000108.5W122I81-W122 HydrophobicContact CD1-CH2 3.58Å; I81-W122 HydrophobicContact CD1-CZ2 3.69Å; I81-W122 HydrophobicContact CD1-CZ3 4.08Å; I81-W122 HydrophobicContact CG1-CD2 3.92Å; I81-W122 HydrophobicContact CG1-CE3 3.65Å; I81-W122 HydrophobicContact CG1-CH2 3.45Å; I81-W122 VanDerWaalsContact CG1-CH2 3.45Å; I81-W122 HydrophobicContact CG1-CZ2 3.7Å; I81-W122 HydrophobicContact CG1-CZ3 3.42Å; I81-W122 VanDerWaalsContact CG1-CZ3 3.42Å
82A93.5Very high92.2Very high16 Ų1655.9 Ų55.913%0.13231%0.312CS..EExtended strand (participates in β ladder)trans-109.7114.7169.400000109S120 Y121 E123A82-S120 CarbonylContact O-C 3.3Å; A82-S120 WeakPolarHBondContact O-CA 3.25Å; A82-S120 WeakPolarHBondContact O-CB 3.45Å; A82-Y121 HydrophobicContact CB-CD1 4.32Å; A82-Y121 HydrophobicContact CB-CD2 4.38Å; A82-Y121 HydrophobicContact CB-CE1 3.82Å; A82-Y121 HydrophobicContact CB-CE2 3.89Å; A82-Y121 PolarHBondContact N-O 2.84Å; A82-Y121 PolarHBondContact O-N 2.96Å; A82-E123 HydrophobicContact CB-CG 4.02Å
83D92.9Very high91.6Very high131 Ų13159.2 Ų59.270%0.70135%0.346SS*.EExtended strand (participates in β ladder)trans-77.2141.5176.3-66.3-48.7000111
84T90.6Very high91.4Very high39 Ų3958.8 Ų58.824%0.23934%0.343CS..EExtended strand (participates in β ladder)trans-113.9138.2176.560.80000110.6N86 L88 N119 Y121T84-N86 PolarHBondContact O-N 3.23Å; T84-N86 PolarHBondContact OG1-O 3.09Å; T84-L88 HydrophobicContact CG2-CD1 4.41Å; T84-N119 PolarHBondContact N-O 3Å; T84-N119 PolarHBondContact OG1-O 2.79Å; T84-Y121 HydrophobicContact CG2-CD1 3.76Å; T84-Y121 HydrophobicContact CG2-CE1 3.64Å
85S90.3Very high91Very high123 Ų12359.8 Ų59.886%0.8634%0.344SS*.EExtended strand (participates in β ladder)trans-68.7-20.8171.460.70000112.7
86N90.6Very high90.6Very high114 Ų11460.1 Ų60.161%0.6135%0.351SS*.EExtended strand (participates in β ladder)trans-96.1146.9-179.6-62.3-9.2000110T84T84-N86 PolarHBondContact O-N 3.23Å; T84-N86 PolarHBondContact OG1-O 3.09Å
87L89.2Confident90Very high98 Ų9864 Ų6451%0.51338%0.376SS..EExtended strand (participates in β ladder)trans-82.6120.2170.8-173.167000109.4L89 F117L87-L89 HydrophobicContact CD2-CD2 3.7Å; L87-L89 HydrophobicContact CG-CD2 3.92Å; L87-F117 HydrophobicContact CD1-CB 3.85Å; L87-F117 HydrophobicContact CD1-CD2 3.55Å; L87-F117 HydrophobicContact CD1-CE2 4.44Å; L87-F117 HydrophobicContact CD1-CG 4Å; L87-F117 HydrophobicContact CG-CB 4.19Å
88L90.9Very high89.6Confident61 Ų6170.3 Ų70.332%0.31941%0.41SS..EExtended strand (participates in β ladder)trans-90.6118.3175.5-58.1172.7000108.2L41 T84 F117 C118L41-L88 HydrophobicContact CD1-CB 4.07Å; L41-L88 HydrophobicContact CD1-CD1 3.55Å; L41-L88 HydrophobicContact CD1-CG 4.45Å; T84-L88 HydrophobicContact CG2-CD1 4.41Å; L88-F117 CarbonylContact O-C 3.55Å; L88-F117 WeakPolarHBondContact O-CA 3.33Å; L88-F117 WeakPolarHBondContact O-CB 3.32Å; L88-C118 HydrophobicContact CB-CB 4.43Å; L88-C118 WeakPolarHBondContact CB-O 3.27Å; L88-C118 PolarHBondContact N-O 3.16Å; L88-C118 PolarHBondContact O-N 2.66Å
89L90.8Very high89.1Confident68 Ų6874.9 Ų74.936%0.35643%0.431SS..EExtended strand (participates in β ladder)trans-98130.1180-60.4179.2000110.1L28 L87 V91 I114 F117L28-L89 HydrophobicContact CD1-CD1 4.41Å; L87-L89 HydrophobicContact CD2-CD2 3.7Å; L87-L89 HydrophobicContact CG-CD2 3.92Å; L89-V91 HydrophobicContact CB-CG2 3.87Å; L89-I114 HydrophobicContact CB-CG2 4.49Å; L89-I114 HydrophobicContact CD1-CD1 4.03Å; L89-I114 HydrophobicContact CD2-CD1 4.43Å; L89-I114 HydrophobicContact CD2-CG2 4.17Å; L89-F117 HydrophobicContact CD2-CB 3.81Å
90L90.4Very high88.5Confident38 Ų3874.4 Ų74.420%0.19943%0.428CS..EExtended strand (participates in β ladder)trans-90108.8173-53.9-179.2000108.2Y39 L41 W115 G116Y39-L90 HydrophobicContact CD1-CD1 4.39Å; Y39-L90 HydrophobicContact CD2-CD1 4.01Å; Y39-L90 HydrophobicContact CG-CD1 3.68Å; L41-L90 HydrophobicContact CD2-CD2 3.87Å; L41-L90 HydrophobicContact CG-CD2 4.42Å; L90-W115 PolarHBondContact O-N 2.91Å; L90-G116 PolarHBondContact N-O 3.13Å
91V91.1Very high87.2Confident30 Ų3074 Ų7418%0.18244%0.441CS..  trans-128.383.1-174.6-163.80000109.2L28 L89 G93 C94 T112 I114L28-V91 HydrophobicContact CD2-CG1 3.89Å; L89-V91 HydrophobicContact CB-CG2 3.87Å; V91-G93 PolarHBondContact O-N 3.28Å; V91-C94 HydrophobicContact CB-CB 3.86Å; V91-C94 HydrophobicContact CG1-CB 3.62Å; V91-C94 VanDerWaalsContact O-CB 3.26Å; V91-C94 WeakPolarHBondContact O-CB 3.41Å; V91-C94 PolarHBondContact O-N 3.48Å; V91-T112 HydrophobicContact CG1-CG2 3.34Å; V91-I114 HydrophobicContact CG2-CG1 4.2Å
92P86.9Confident85.7Confident65 Ų6577.6 Ų77.642%0.42246%0.461SS..THydrogen-bonded Turntrans-58.2135.9-177.7-25.336.1000112.2C94 W115P92-C94 PolarHBondContact O-N 3.37Å; P92-W115 HydrophobicContact CG-CB 4.19Å; P92-W115 HydrophobicContact CG-CD2 3.62Å; P92-W115 HydrophobicContact CG-CE3 3.9Å; P92-W115 HydrophobicContact CG-CG 3.74Å
93G83.4Confident84Confident75 Ų7580.1 Ų80.177%0.77347%0.472SS*.THydrogen-bonded Turntrans71.24.2179.200000115V91 R95V91-G93 PolarHBondContact O-N 3.28Å; G93-R95 PolarHBondContact O-N 3.1Å
94C88Confident82.6Confident45 Ų4581 Ų8130%0.30447%0.472SS..PPolyproline II helixtrans-68.3122.5173-165.20000109.8V91 P92 T112V91-C94 HydrophobicContact CB-CB 3.86Å; V91-C94 HydrophobicContact CG1-CB 3.62Å; V91-C94 VanDerWaalsContact O-CB 3.26Å; V91-C94 WeakPolarHBondContact O-CB 3.41Å; V91-C94 PolarHBondContact O-N 3.48Å; P92-C94 PolarHBondContact O-N 3.37Å; C94-T112 HydrophobicContact CB-CG2 4.27Å
95R86.1Confident81.4Confident65 Ų6587.4 Ų87.425%0.24551%0.505CS..PPolyproline II helixtrans-83.3137.7-175.9-61.5-171.5-75.3165.8-1.8110.9H26 G93 Q99 L100 D103 E110H26-R95 PolarHBondContact CE1-O 3.47Å; H26-R95 VanDerWaalsContact CE1-O 3.26Å; G93-R95 PolarHBondContact O-N 3.1Å; R95-Q99 VanDerWaalsContact CA-OE1 3.29Å; R95-Q99 HydrophobicContact CB-CB 4.31Å; R95-L100 HydrophobicContact CB-CD1 4.41Å; R95-L100 HydrophobicContact CB-CD2 3.74Å; R95-L100 HydrophobicContact CB-CG 3.91Å; R95-L100 HydrophobicContact CG-CD2 4.49Å; R95-D103 IonicContact CZ-OD2 2.62Å; R95-D103 IonicContact NH1-OD2 3.79Å; R95-D103 PolarHBondContact NH1-OD2 3.03Å; R95-D103 IonicContact NH2-OD2 3.95Å; R95-D103 PolarHBondContact NH2-OD2 3.17Å; R95-E110 IonicContact CZ-OE1 2.81Å; R95-E110 IonicContact CZ-OE2 3.64Å; R95-E110 IonicContact NE-OE1 3.85Å; R95-E110 IonicContact NE-OE2 3.98Å; R95-E110 PolarHBondContact NE-OE2 3.24Å; R95-E110 VanDerWaalsContact NH2-CD 3.32Å; R95-E110 IonicContact NH2-OE1 2.99Å; R95-E110 PolarHBondContact NH2-OE1 2.8Å; R95-E110 IonicContact NH2-OE2 2.89Å; R95-E110 PolarHBondContact NH2-OE2 3.34Å
96T84.6Confident80.7Confident65 Ų6584.7 Ų84.740%0.39949%0.486SS..PPolyproline II helixtrans-79.1160.6175.162.90000110.9D98 Q99 L100T96-D98 PolarHBondContact O-N 3.26Å; T96-Q99 WeakPolarHBondContact O-CB 3.36Å; T96-Q99 PolarHBondContact O-N 3.41Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.41Å; T96-L100 WeakPolarHBondContact O-CG 3.44Å; T96-L100 PolarHBondContact O-N 2.86Å
97P83.4Confident80.1Confident83 Ų8382.6 Ų82.654%0.53948%0.478SS..Hα-helixtrans-49-42.2174.3-31.938.5000113.8L22 Q99 L100 A101L22-P97 HydrophobicContact CD1-CB 3.84Å; L22-P97 HydrophobicContact CD1-CG 4.42Å; P97-Q99 VanDerWaalsContact C-N 3.29Å; P97-Q99 PolarHBondContact O-N 3.28Å; P97-L100 PolarHBondContact O-N 3.4Å; P97-L100 VanDerWaalsContact O-N 3.15Å; P97-A101 PolarHBondContact O-N 2.75Å
98D84.9Confident79.9Confident142 Ų14280.9 Ų80.976%0.75947%0.467SS*.Hα-helixtrans-65.5-30.6179.8-56.4-38.7000112.9T96 L100T96-D98 PolarHBondContact O-N 3.26Å; D98-L100 VanDerWaalsContact C-N 3.34Å
99Q82.6Confident79.6Confident119 Ų11979.4 Ų79.456%0.55646%0.461SS*.Hα-helixtrans-80-17.8177-68.6172.2-22.900113R95 T96 P97R95-Q99 VanDerWaalsContact CA-OE1 3.29Å; R95-Q99 HydrophobicContact CB-CB 4.31Å; T96-Q99 WeakPolarHBondContact O-CB 3.36Å; T96-Q99 PolarHBondContact O-N 3.41Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.41Å; P97-Q99 VanDerWaalsContact C-N 3.29Å; P97-Q99 PolarHBondContact O-N 3.28Å
100L80.5Confident79.5Confident9 Ų978.4 Ų78.45%0.04745%0.454CS..Hα-helixtrans-95.7-14.6-179.4-65.5168.1000112.5L22 T24 R95 T96 P97 D98 D102 D103L22-L100 HydrophobicContact CD1-CB 4.41Å; L22-L100 HydrophobicContact CD1-CD1 4.29Å; T24-L100 HydrophobicContact CG2-CD1 4.31Å; T24-L100 HydrophobicContact CG2-CD2 3.99Å; R95-L100 HydrophobicContact CB-CD1 4.41Å; R95-L100 HydrophobicContact CB-CD2 3.74Å; R95-L100 HydrophobicContact CB-CG 3.91Å; R95-L100 HydrophobicContact CG-CD2 4.49Å; T96-L100 WeakPolarHBondContact O-CG 3.44Å; T96-L100 PolarHBondContact O-N 2.86Å; P97-L100 PolarHBondContact O-N 3.4Å; P97-L100 VanDerWaalsContact O-N 3.15Å; D98-L100 VanDerWaalsContact C-N 3.34Å; L100-D102 PolarHBondContact O-N 3.31Å; L100-D102 VanDerWaalsContact O-N 3.11Å; L100-D103 PolarHBondContact O-N 3.15Å
101A66.9Low79.3Confident75 Ų7580.1 Ų80.162%0.6246%0.462SS*.THydrogen-bonded Turntrans-61.8-19.4-176.400000114.2P97P97-A101 PolarHBondContact O-N 2.75Å
102D61.1Low79.3Confident168 Ų16879.6 Ų79.690%0.89846%0.458SS*.THydrogen-bonded Turntrans-100.41.2178.2-78.7-27000113.8L100L100-D102 PolarHBondContact O-N 3.31Å; L100-D102 VanDerWaalsContact O-N 3.11Å
103D57.8Low79.4Confident69 Ų6981.2 Ų81.237%0.36946%0.46SS..SBendtrans-106.9148.4-174-134.6-2.4000112.8R95 L100R95-D103 IonicContact CZ-OD2 2.62Å; R95-D103 IonicContact NH1-OD2 3.79Å; R95-D103 PolarHBondContact NH1-OD2 3.03Å; R95-D103 IonicContact NH2-OD2 3.95Å; R95-D103 PolarHBondContact NH2-OD2 3.17Å; L100-D103 PolarHBondContact O-N 3.15Å
104Q63.6Low79.8Confident149 Ų14977.9 Ų77.970%0.69643%0.425SS*.  trans-41.7155.1-157.5-57.6-167.99.100120.9S23 S106S23-Q104 PolarHBondContact OG-O 3.45Å; Q104-S106 VanDerWaalsContact C-N 3.26Å; Q104-S106 PolarHBondContact O-N 3.38Å; Q104-S106 VanDerWaalsContact O-N 3.13Å
105D66.6Low79.8Confident175 Ų17582 Ų8294%0.93643%0.434SS*.SBendtrans-62.2-8.6179.8-78.3-39.9000116.7
106S75.3Confident80Confident66 Ų6679 Ų7946%0.46242%0.423SS..SBendtrans-101.8131.6-175.363.90000112.3Q104 H108Q104-S106 VanDerWaalsContact C-N 3.26Å; Q104-S106 PolarHBondContact O-N 3.38Å; Q104-S106 VanDerWaalsContact O-N 3.13Å; S106-H108 PolarHBondContact O-N 2.85Å
107P78.5Confident80.3Confident69 Ų6978.9 Ų78.945%0.44842%0.417SS..  trans-67.2129.3179.226.6-33000111.7L4 S23L4-P107 HydrophobicContact CD1-CB 4.3Å; S23-P107 WeakPolarHBondContact O-CA 3.45Å
108H84.1Confident80.6Confident62 Ų6275.3 Ų75.329%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-140.3154.9178.574.9-61.4000112.3S23 T24 V25 S106 E110S23-H108 PolarHBondContact O-N 2.87Å; S23-H108 VanDerWaalsContact O-N 3.12Å; T24-H108 PolarHBondContact OG1-CE1 3.36Å; V25-H108 PolarHBondContact N-O 3.17Å; S106-H108 PolarHBondContact O-N 2.85Å; H108-E110 IonicContact CD2-OE1 2.65Å; H108-E110 IonicContact CE1-OE1 2.72Å; H108-E110 IonicContact NE2-OE1 3.56Å; H108-E110 PolarHBondContact NE2-OE1 2.79Å
109V86Confident80.9Confident31 Ų3173.1 Ų73.119%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-103.5123.8-179.8-177.20000109.5L4 V7 V25 C27L4-V109 HydrophobicContact CB-CG2 4.02Å; L4-V109 HydrophobicContact CD1-CG2 3.77Å; V7-V109 HydrophobicContact CG2-CG2 4.04Å; V25-V109 CarbonylContact O-C 3.48Å; V25-V109 WeakPolarHBondContact O-CA 3.21Å; C27-V109 HydrophobicContact CB-CG1 3.96Å
110E87.9Confident81.4Confident46 Ų4669 Ų6922%0.21537%0.366CS..EExtended strand (participates in β ladder)trans-103.9124.2171.8-64.4-162.3161.700110T24 V25 H26 C27 R95 H108T24-E110 HydrophobicContact CG2-CG 3.95Å; V25-E110 PolarHBondContact O-N 2.63Å; H26-E110 CarbonylContact C-O 3.55Å; H26-E110 WeakPolarHBondContact CA-O 3.36Å; H26-E110 IonicContact CD2-OE2 3.68Å; H26-E110 IonicContact NE2-OE2 3.75Å; H26-E110 PolarHBondContact NE2-OE2 2.8Å; C27-E110 PolarHBondContact N-O 2.95Å; R95-E110 IonicContact CZ-OE1 2.81Å; R95-E110 IonicContact CZ-OE2 3.64Å; R95-E110 IonicContact NE-OE1 3.85Å; R95-E110 IonicContact NE-OE2 3.98Å; R95-E110 PolarHBondContact NE-OE2 3.24Å; R95-E110 VanDerWaalsContact NH2-CD 3.32Å; R95-E110 IonicContact NH2-OE1 2.99Å; R95-E110 PolarHBondContact NH2-OE1 2.8Å; R95-E110 IonicContact NH2-OE2 2.89Å; R95-E110 PolarHBondContact NH2-OE2 3.34Å; H108-E110 IonicContact CD2-OE1 2.65Å; H108-E110 IonicContact CE1-OE1 2.72Å; H108-E110 IonicContact NE2-OE1 3.56Å; H108-E110 PolarHBondContact NE2-OE1 2.79Å
111H87.1Confident82Confident75 Ų7571.5 Ų71.535%0.34738%0.376SS..EExtended strand (participates in β ladder)trans-92.1115.5175.4-66.9-67.4000109.5M1 R2 C27M1-H111 HydrophobicContact SD-CB 3.55Å; M1-H111 VanDerWaalsContact SD-CB 3.55Å; M1-H111 PolarHBondContact SD-CD2 2.8Å; R2-H111 PolarHBondContact N-CE1 3.35Å; R2-H111 PolarHBondContact O-CE1 2.94Å; R2-H111 PolarHBondContact O-NE2 2.86Å; R2-H111 VanDerWaalsContact O-NE2 3.1Å; C27-H111 WeakPolarHBondContact CB-ND1 3.28Å
112T89.6Confident83.4Confident18 Ų1872 Ų7211%0.1136%0.362CS..EExtended strand (participates in β ladder)trans-118.7135.5-179.4-32.70000109.6H26 C27 L28 S29 V91 C94H26-T112 PolarHBondContact CD2-OG1 2.97Å; C27-T112 PolarHBondContact O-N 3.22Å; C27-T112 VanDerWaalsContact O-N 3.13Å; L28-T112 WeakPolarHBondContact CA-O 3.4Å; S29-T112 PolarHBondContact N-O 3.48Å; V91-T112 HydrophobicContact CG1-CG2 3.34Å; C94-T112 HydrophobicContact CB-CG2 4.27Å
113Q90.3Very high85Confident99 Ų9965.8 Ų65.846%0.46333%0.327SS..EExtended strand (participates in β ladder)trans-91.5131.8178.2-70.4-173.5-36.500110S29 W115S29-Q113 CarbonylContact O-C 3.59Å; S29-Q113 WeakPolarHBondContact O-CA 3.47Å; Q113-W115 VanDerWaalsContact O-CD1 3.28Å
114I90.8Very high86.7Confident6 Ų664 Ų643%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-73.6125165.2-58.2165.5000106L28 S29 F30 G31 V34 L89 V91 G116L28-I114 HydrophobicContact CB-CD1 4.19Å; L28-I114 HydrophobicContact CB-CG1 4.31Å; S29-I114 PolarHBondContact O-N 3.48Å; F30-I114 HydrophobicContact CD1-CB 4.2Å; F30-I114 HydrophobicContact CD1-CD1 4.17Å; F30-I114 HydrophobicContact CD1-CG2 4.13Å; F30-I114 HydrophobicContact CD2-CD1 4.4Å; F30-I114 HydrophobicContact CE1-CD1 3.99Å; F30-I114 HydrophobicContact CE1-CG2 4.11Å; F30-I114 HydrophobicContact CE2-CD1 4.23Å; F30-I114 HydrophobicContact CG-CD1 4.37Å; F30-I114 HydrophobicContact CZ-CD1 4.02Å; G31-I114 PolarHBondContact N-O 3.11Å; V34-I114 WeakPolarHBondContact CG2-O 3.47Å; L89-I114 HydrophobicContact CB-CG2 4.49Å; L89-I114 HydrophobicContact CD1-CD1 4.03Å; L89-I114 HydrophobicContact CD2-CD1 4.43Å; L89-I114 HydrophobicContact CD2-CG2 4.17Å; V91-I114 HydrophobicContact CG2-CG1 4.2Å; I114-G116 VanDerWaalsContact CG2-O 3.3Å; I114-G116 WeakPolarHBondContact CG2-O 3.24Å
115W88.9Confident88Confident132 Ų13263 Ų6350%0.531%0.307SS..EExtended strand (participates in β ladder)trans-97.5-23.2-179.9-78.232.7000112.4L90 P92 Q113L90-W115 PolarHBondContact O-N 2.91Å; P92-W115 HydrophobicContact CG-CB 4.19Å; P92-W115 HydrophobicContact CG-CD2 3.62Å; P92-W115 HydrophobicContact CG-CE3 3.9Å; P92-W115 HydrophobicContact CG-CG 3.74Å; Q113-W115 VanDerWaalsContact O-CD1 3.28Å
116G89.9Confident89.1Confident1 Ų159 Ų591%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-168169.4-178.200000110.7L90 I114L90-G116 PolarHBondContact N-O 3.13Å; I114-G116 VanDerWaalsContact CG2-O 3.3Å; I114-G116 WeakPolarHBondContact CG2-O 3.24Å
117F90.1Very high89.7Confident62 Ų6258.1 Ų58.127%0.27227%0.27SS..EExtended strand (participates in β ladder)trans-145.6149.4170.560.7-94.1000110.4F30 V34 L87 L88 L89F30-F117 HydrophobicContact CE1-CD1 4.23Å; V34-F117 HydrophobicContact CG1-CD1 3.87Å; V34-F117 HydrophobicContact CG1-CE1 3.99Å; L87-F117 HydrophobicContact CD1-CB 3.85Å; L87-F117 HydrophobicContact CD1-CD2 3.55Å; L87-F117 HydrophobicContact CD1-CE2 4.44Å; L87-F117 HydrophobicContact CD1-CG 4Å; L87-F117 HydrophobicContact CG-CB 4.19Å; L88-F117 CarbonylContact O-C 3.55Å; L88-F117 WeakPolarHBondContact O-CA 3.33Å; L88-F117 WeakPolarHBondContact O-CB 3.32Å; L89-F117 HydrophobicContact CD2-CB 3.81Å
118C90.9Very high90.1Very high9 Ų959.1 Ų59.16%0.06127%0.265CS..EExtended strand (participates in β ladder)trans-129.7143.9178-57.30000109.4L41 L88L41-C118 HydrophobicContact CD1-CB 3.94Å; L41-C118 HydrophobicContact CG-CB 4.3Å; L88-C118 HydrophobicContact CB-CB 4.43Å; L88-C118 WeakPolarHBondContact CB-O 3.27Å; L88-C118 PolarHBondContact N-O 3.16Å; L88-C118 PolarHBondContact O-N 2.66Å
119N91.2Very high90.2Very high95 Ų9557.6 Ų57.651%0.50826%0.261SS..EExtended strand (participates in β ladder)trans-112.58.4170.264.8-36.7000111.8T84T84-N119 PolarHBondContact N-O 3Å; T84-N119 PolarHBondContact OG1-O 2.79Å
120S92.8Very high90.1Very high32 Ų3260.5 Ų60.522%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-156.3159.1179.164.20000110.1A82A82-S120 CarbonylContact O-C 3.3Å; A82-S120 WeakPolarHBondContact O-CA 3.25Å; A82-S120 WeakPolarHBondContact O-CB 3.45Å
121Y93.4Very high90.1Very high63 Ų6359.2 Ų59.225%0.24727%0.265CS..EExtended strand (participates in β ladder)trans-136.3159.8171.163.2-85.3000110.6L41 E43 A82 T84 E123L41-Y121 CarbonylContact O-C 3.52Å; L41-Y121 WeakPolarHBondContact O-CA 3.47Å; E43-Y121 HydrophobicContact CB-CD2 4.12Å; E43-Y121 HydrophobicContact CB-CE2 4.27Å; E43-Y121 WeakPolarHBondContact OE2-CE2 3.34Å; A82-Y121 HydrophobicContact CB-CD1 4.32Å; A82-Y121 HydrophobicContact CB-CD2 4.38Å; A82-Y121 HydrophobicContact CB-CE1 3.82Å; A82-Y121 HydrophobicContact CB-CE2 3.89Å; A82-Y121 PolarHBondContact N-O 2.84Å; A82-Y121 PolarHBondContact O-N 2.96Å; T84-Y121 HydrophobicContact CG2-CD1 3.76Å; T84-Y121 HydrophobicContact CG2-CE1 3.64Å; Y121-E123 HydrophobicContact CD2-CG 4.11Å; Y121-E123 HydrophobicContact CE2-CG 3.45Å; Y121-E123 VanDerWaalsContact CE2-CG 3.45Å; Y121-E123 PolarHBondContact OH-OE1 3.13Å; Y121-E123 VanDerWaalsContact OH-OE1 3.08Å
122W95Very high90.1Very high85 Ų8558.7 Ų58.732%0.32226%0.262SS..EExtended strand (participates in β ladder)trans-87.8121.1175.9-68.996.8000110.4L41 M42 E43 L79 K80 I81L41-W122 PolarHBondContact O-N 2.99Å; M42-W122 CarbonylContact C-O 3.56Å; M42-W122 WeakPolarHBondContact CA-O 3.47Å; M42-W122 HydrophobicContact CB-CB 4.26Å; M42-W122 HydrophobicContact CE-CB 4.16Å; M42-W122 HydrophobicContact CE-CG 4.44Å; M42-W122 HydrophobicContact CG-CB 4.05Å; E43-W122 PolarHBondContact N-O 3.17Å; L79-W122 HydrophobicContact CB-CE3 3.81Å; L79-W122 HydrophobicContact CB-CZ3 3.83Å; L79-W122 HydrophobicContact CD2-CB 4.42Å; L79-W122 HydrophobicContact CD2-CD2 4.47Å; L79-W122 HydrophobicContact CD2-CE3 4.07Å; K80-W122 CarbonylContact O-C 2.94Å; K80-W122 WeakPolarHBondContact O-CA 3.4Å; I81-W122 HydrophobicContact CD1-CH2 3.58Å; I81-W122 HydrophobicContact CD1-CZ2 3.69Å; I81-W122 HydrophobicContact CD1-CZ3 4.08Å; I81-W122 HydrophobicContact CG1-CD2 3.92Å; I81-W122 HydrophobicContact CG1-CE3 3.65Å; I81-W122 HydrophobicContact CG1-CH2 3.45Å; I81-W122 VanDerWaalsContact CG1-CH2 3.45Å; I81-W122 HydrophobicContact CG1-CZ2 3.7Å; I81-W122 HydrophobicContact CG1-CZ3 3.42Å; I81-W122 VanDerWaalsContact CG1-CZ3 3.42Å
123E94.8Very high90.1Very high38 Ų3859.7 Ų59.718%0.17827%0.265CS..EExtended strand (participates in β ladder)trans-91.2135.8167.7-72-176.5-176.700110.3K80 A82 Y121 R125K80-E123 PolarHBondContact N-O 2.84Å; K80-E123 PolarHBondContact O-N 2.91Å; A82-E123 HydrophobicContact CB-CG 4.02Å; Y121-E123 HydrophobicContact CD2-CG 4.11Å; Y121-E123 HydrophobicContact CE2-CG 3.45Å; Y121-E123 VanDerWaalsContact CE2-CG 3.45Å; Y121-E123 PolarHBondContact OH-OE1 3.13Å; Y121-E123 VanDerWaalsContact OH-OE1 3.08Å; E123-R125 IonicContact OE2-CZ 3.82Å; E123-R125 IonicContact OE2-NE 3.42Å; E123-R125 IonicContact OE2-NH2 3.39Å; E123-R125 PolarHBondContact OE2-NH2 2.87Å
124L94.1Very high90.3Very high31 Ų3155 Ų5516%0.16224%0.243CC..EExtended strand (participates in β ladder)trans-98.8133.4171.7-63.6177.8000111.1M42 L44 L48 L70 Y77 D78 L79M42-L124 HydrophobicContact CG-CD1 4.32Å; M42-L124 HydrophobicContact CG-CG 4.29Å; M42-L124 HydrophobicContact SD-CD1 4.05Å; M42-L124 HydrophobicContact SD-CD2 4.24Å; M42-L124 HydrophobicContact SD-CG 4.3Å; L44-L124 HydrophobicContact CD2-CD1 3.38Å; L48-L124 HydrophobicContact CD1-CD1 3.34Å; L70-L124 HydrophobicContact CB-CD2 3.92Å; L70-L124 HydrophobicContact CD2-CD1 3.52Å; L70-L124 HydrophobicContact CD2-CD2 3.7Å; L70-L124 HydrophobicContact CD2-CG 4.28Å; L70-L124 HydrophobicContact CG-CD2 4.48Å; Y77-L124 HydrophobicContact CD1-CB 4.4Å; D78-L124 WeakPolarHBondContact O-CA 3.38Å; L79-L124 HydrophobicContact CD2-CD2 3.39Å; L79-L124 HydrophobicContact CG-CD2 4.09Å
125R90.8Very high90.3Very high128 Ų12857.3 Ų57.348%0.48325%0.253SS..EExtended strand (participates in β ladder)trans-128.5115.1171.7-62.5-173.1-171.5-163.12.2109.8Y77 D78 E123 Q127Y77-R125 CarbonylContact C-O 3.32Å; Y77-R125 WeakPolarHBondContact CA-O 3.39Å; D78-R125 HydrophobicContact CB-CB 4.44Å; D78-R125 PolarHBondContact N-O 3.27Å; D78-R125 PolarHBondContact O-N 2.89Å; E123-R125 IonicContact OE2-CZ 3.82Å; E123-R125 IonicContact OE2-NE 3.42Å; E123-R125 IonicContact OE2-NH2 3.39Å; E123-R125 PolarHBondContact OE2-NH2 2.87Å; R125-Q127 PolarHBondContact O-N 3.44Å
126K90.6Very high90.4Very high92 Ų9258.5 Ų58.540%0.426%0.261SS..EExtended strand (participates in β ladder)trans-51.1126.8173.6-167.7174.4-170.1171.80109.9K75 Y77 E360K75-K126 VanDerWaalsContact CD-CE 3.46Å; Y77-K126 HydrophobicContact CD1-CB 4.03Å; Y77-K126 HydrophobicContact CE1-CB 4.02Å; Y77-K126 HydrophobicContact CE1-CG 4.27Å; K126-E360 VanDerWaalsContact CE-OE1 3.24Å; K126-E360 WeakPolarHBondContact CE-OE1 3.26Å; K126-E360 IonicContact NZ-OE1 3.78Å; K126-E360 PolarHBondContact NZ-OE1 3.08Å
127Q87.7Confident90.6Very high46 Ų4658.9 Ų58.922%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-133.1166.1-178.568.1173.4-38.400110.7T76 D78 R125T76-Q127 HydrophobicContact CG2-CG 4.09Å; T76-Q127 PolarHBondContact O-N 3.24Å; T76-Q127 VanDerWaalsContact O-O 3.12Å; D78-Q127 HydrophobicContact CB-CB 4.48Å; D78-Q127 HydrophobicContact CB-CG 4.26Å; D78-Q127 VanDerWaalsContact CB-NE2 3.33Å; D78-Q127 VanDerWaalsContact N-NE2 3.17Å; R125-Q127 PolarHBondContact O-N 3.44Å
128R86.4Confident90.9Very high91 Ų9156.1 Ų56.134%0.34325%0.251SS..  trans-75.6143.7169.1-69-179.6-68.1-1015.9109.7D356 L357 C358 G359R128-D356 WeakPolarHBondContact CD-O 3.36Å; R128-D356 PolarHBondContact NE-O 3.38Å; R128-L357 VanDerWaalsContact CZ-CA 3.47Å; R128-L357 PolarHBondContact NH1-O 3.43Å; R128-L357 PolarHBondContact NH2-O 3.2Å; R128-C358 PolarHBondContact NH1-O 3.41Å; R128-G359 VanDerWaalsContact NH1-N 3.13Å
129P86.2Confident91Very high30 Ų3059.5 Ų59.520%0.19527%0.267CS..  trans-65.6140.4173.530.8-37.1000110.1L131 A170 E174P129-L131 HydrophobicContact CB-CD1 3.87Å; P129-L131 HydrophobicContact CB-CD2 4.32Å; P129-L131 HydrophobicContact CB-CG 3.87Å; P129-L131 HydrophobicContact CG-CD1 3.54Å; P129-L131 HydrophobicContact CG-CG 4.11Å; P129-L131 PolarHBondContact O-N 3.48Å; P129-A170 HydrophobicContact CB-CB 3.63Å; P129-E174 HydrophobicContact CB-CB 4.25Å; P129-E174 HydrophobicContact CG-CB 4Å; P129-E174 HydrophobicContact CG-CG 4.04Å
130K83.3Confident91.1Very high92 Ų9258.9 Ų58.940%0.426%0.261SS..  trans-93.896176.6-67.3-179.6-171.8166.50109.2
131L87.6Confident91.1Very high18 Ų1857.9 Ų57.99%0.09425%0.253CS..  trans-107-4.5-165-67.9161.2000113.6P129 K133 L134 I168 A170 L175 H178 E329P129-L131 HydrophobicContact CB-CD1 3.87Å; P129-L131 HydrophobicContact CB-CD2 4.32Å; P129-L131 HydrophobicContact CB-CG 3.87Å; P129-L131 HydrophobicContact CG-CD1 3.54Å; P129-L131 HydrophobicContact CG-CG 4.11Å; P129-L131 PolarHBondContact O-N 3.48Å; L131-K133 PolarHBondContact O-N 2.97Å; L131-L134 VanDerWaalsContact O-CB 3.24Å; L131-L134 WeakPolarHBondContact O-CB 3.33Å; L131-L134 PolarHBondContact O-N 2.98Å; L131-I168 HydrophobicContact CD2-CG2 3.91Å; L131-A170 HydrophobicContact CD2-CB 3.7Å; L131-L175 HydrophobicContact CD2-CD1 4.21Å; L131-H178 HydrophobicContact CD1-CB 3.68Å; L131-H178 HydrophobicContact CD2-CB 4.14Å; L131-H178 HydrophobicContact CG-CB 4.34Å; L131-E329 PolarHBondContact N-OE1 2.79Å
132K87.3Confident91.2Very high64 Ų6455.9 Ų55.928%0.27825%0.248SC..Hα-helixtrans-55.7-36.1173.6-82.4-164.2-176.5-124.50113.6L134 K135 K136 E325 D326 L327 E329K132-L134 PolarHBondContact O-N 3.38Å; K132-K135 PolarHBondContact O-N 3.45Å; K132-K136 PolarHBondContact O-N 2.66Å; K132-K136 VanDerWaalsContact O-N 3.15Å; K132-E325 WeakPolarHBondContact CE-O 3.34Å; K132-E325 PolarHBondContact NZ-O 2.97Å; K132-D326 VanDerWaalsContact NZ-C 3.27Å; K132-D326 PolarHBondContact NZ-O 3.42Å; K132-L327 WeakPolarHBondContact CE-O 3.38Å; K132-L327 PolarHBondContact NZ-O 2.88Å; K132-E329 HydrophobicContact CB-CG 4.26Å; K132-E329 VanDerWaalsContact CB-OE1 3.32Å; K132-E329 WeakPolarHBondContact CB-OE1 3.38Å; K132-E329 HydrophobicContact CD-CG 3.57Å; K132-E329 HydrophobicContact CG-CG 3.64Å; K132-E329 VanDerWaalsContact CG-OE1 3.31Å; K132-E329 WeakPolarHBondContact CG-OE1 3.42Å; K132-E329 PolarHBondContact N-OE1 2.95Å
133K91.1Very high91.1Very high40 Ų4053 Ų5317%0.17424%0.237CC..Hα-helixtrans-58.8-36.4176.8-174.4179.5179.5-1790111.6D63 E66 L131 K136 L137 R167 I168D63-K133 VanDerWaalsContact CG-NZ 3.29Å; D63-K133 WeakPolarHBondContact OD2-CE 3.47Å; D63-K133 IonicContact OD2-NZ 3.78Å; D63-K133 PolarHBondContact OD2-NZ 3.16Å; E66-K133 WeakPolarHBondContact OE1-CD 3.31Å; E66-K133 IonicContact OE1-NZ 3.57Å; E66-K133 PolarHBondContact OE1-NZ 2.98Å; E66-K133 IonicContact OE2-NZ 3.91Å; E66-K133 PolarHBondContact OE2-NZ 2.84Å; L131-K133 PolarHBondContact O-N 2.97Å; K133-K136 PolarHBondContact O-N 3.03Å; K133-L137 HydrophobicContact CG-CD1 4.42Å; K133-L137 HydrophobicContact CG-CG 4.47Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 2.88Å; K133-R167 WeakPolarHBondContact CE-O 3.46Å; K133-R167 PolarHBondContact NZ-O 2.89Å; K133-I168 HydrophobicContact CB-CD1 3.83Å; K133-I168 HydrophobicContact CD-CD1 3.9Å; K133-I168 HydrophobicContact CG-CD1 3.69Å
134L93.4Very high91Very high0 Ų058.1 Ų58.10%026%0.261CS..Hα-helixtrans-59.3-55.3178.1176.160.3000111L131 K132 K136 L137 L138 L164 I168 L175 H178 L179 I182L131-L134 VanDerWaalsContact O-CB 3.24Å; L131-L134 WeakPolarHBondContact O-CB 3.33Å; L131-L134 PolarHBondContact O-N 2.98Å; K132-L134 PolarHBondContact O-N 3.38Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.99Å; L134-L137 PolarHBondContact O-N 2.76Å; L134-L137 VanDerWaalsContact O-N 3.15Å; L134-L138 HydrophobicContact CD1-CD1 3.82Å; L134-L138 HydrophobicContact CD1-CG 4.02Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.23Å; L134-L164 HydrophobicContact CD1-CD1 3.79Å; L134-L164 HydrophobicContact CD1-CD2 3.58Å; L134-L164 HydrophobicContact CD1-CG 4.18Å; L134-I168 HydrophobicContact CB-CD1 4.08Å; L134-I168 HydrophobicContact CB-CG1 4.32Å; L134-I168 HydrophobicContact CD1-CG1 4.34Å; L134-L175 HydrophobicContact CD1-CD1 3.99Å; L134-L175 HydrophobicContact CD2-CD1 3.47Å; L134-L175 VanDerWaalsContact CD2-CD1 3.47Å; L134-L175 HydrophobicContact CG-CD1 4.2Å; L134-H178 HydrophobicContact CD2-CB 4.3Å; L134-L179 HydrophobicContact CD1-CD2 4.17Å; L134-L179 HydrophobicContact CD2-CD2 3.81Å; L134-L179 HydrophobicContact CD2-CG 3.96Å; L134-L179 HydrophobicContact CG-CD2 4.36Å; L134-I182 HydrophobicContact CD2-CD1 4.22Å; L134-I182 HydrophobicContact CG-CD1 4.31Å
135K90.4Very high90.9Very high55 Ų5557.3 Ų57.324%0.23926%0.261CS..Hα-helixtrans-58.7-41.6179.7-171.7173.2-173.11720111K132 L137 L138 M139 I182 E325K132-K135 PolarHBondContact O-N 3.45Å; K135-L137 PolarHBondContact O-N 3Å; K135-L138 PolarHBondContact O-N 3.34Å; K135-M139 HydrophobicContact CG-CG 4.14Å; K135-M139 WeakPolarHBondContact O-CB 3.34Å; K135-M139 WeakPolarHBondContact O-CG 3.46Å; K135-M139 PolarHBondContact O-N 3.27Å; K135-I182 HydrophobicContact CB-CD1 4.43Å; K135-E325 IonicContact NZ-OE1 2.63Å; K135-E325 PolarHBondContact NZ-OE1 2.99Å; K135-E325 IonicContact NZ-OE2 3.73Å; K135-E325 PolarHBondContact NZ-OE2 2.85Å
136K92.1Very high90.7Very high156 Ų15654.4 Ų54.468%0.67826%0.258SS*.Hα-helixtrans-58.6-46.1177.1-173.9-177175.1-172.10112.2K132 K133 L134 M139K132-K136 PolarHBondContact O-N 2.66Å; K132-K136 VanDerWaalsContact O-N 3.15Å; K133-K136 PolarHBondContact O-N 3.03Å; L134-K136 VanDerWaalsContact C-N 3.25Å; L134-K136 PolarHBondContact O-N 2.99Å; K136-M139 PolarHBondContact O-N 3.48Å
137L94.3Very high90.2Very high10 Ų1053.2 Ų53.25%0.05227%0.266CS..Hα-helixtrans-63.5-47177.9-70.5179.6000111.5K133 L134 K135 M139 E140 Y159 R167 I168K133-L137 HydrophobicContact CG-CD1 4.42Å; K133-L137 HydrophobicContact CG-CG 4.47Å; K133-L137 WeakPolarHBondContact O-CG 3.48Å; K133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 2.76Å; L134-L137 VanDerWaalsContact O-N 3.15Å; K135-L137 PolarHBondContact O-N 3Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 2.74Å; L137-E140 VanDerWaalsContact O-CB 3.26Å; L137-E140 WeakPolarHBondContact O-CB 3.5Å; L137-E140 WeakPolarHBondContact O-CG 3.46Å; L137-E140 PolarHBondContact O-N 3.08Å; L137-Y159 HydrophobicContact CB-CD2 4.26Å; L137-Y159 HydrophobicContact CB-CE2 3.86Å; L137-Y159 HydrophobicContact CD2-CE2 4.43Å; L137-R167 HydrophobicContact CD1-CB 4.29Å; L137-I168 HydrophobicContact CD1-CD1 3.94Å
138L94.9Very high89.7Confident3 Ų356.8 Ų56.82%0.01629%0.285CS..Hα-helixtrans-66.7-29.5-178.6-63.2179.2000112.9L134 K135 E140 N141 L164 L179 I182 A184 W191 V193L134-L138 HydrophobicContact CD1-CD1 3.82Å; L134-L138 HydrophobicContact CD1-CG 4.02Å; L134-L138 HydrophobicContact CG-CD1 4.02Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.23Å; K135-L138 PolarHBondContact O-N 3.34Å; L138-E140 PolarHBondContact O-N 3.36Å; L138-N141 CarbonylContact O-C 3.55Å; L138-N141 PolarHBondContact O-N 3.33Å; L138-L164 HydrophobicContact CD2-CD1 4.42Å; L138-L164 HydrophobicContact CD2-CD2 4.3Å; L138-L179 HydrophobicContact CD1-CD2 3.64Å; L138-I182 HydrophobicContact CD1-CD1 3.86Å; L138-A184 HydrophobicContact CD1-CB 4.11Å; L138-W191 HydrophobicContact CD2-CB 4.09Å; L138-W191 WeakPolarHBondContact CD2-O 3.45Å; L138-V193 HydrophobicContact CB-CB 4.41Å; L138-V193 HydrophobicContact CB-CG2 3.79Å; L138-V193 HydrophobicContact CD1-CG2 3.74Å; L138-V193 HydrophobicContact CG-CG2 4.43Å
139M93Very high88.8Confident80 Ų8064.4 Ų64.439%0.39431%0.314SS..THydrogen-bonded Turntrans-76.8-1.3174.4-68.4-61.9-59.200113.6K135 K136 L137 N141 P142 V193K135-M139 HydrophobicContact CG-CG 4.14Å; K135-M139 WeakPolarHBondContact O-CB 3.34Å; K135-M139 WeakPolarHBondContact O-CG 3.46Å; K135-M139 PolarHBondContact O-N 3.27Å; K136-M139 PolarHBondContact O-N 3.48Å; L137-M139 VanDerWaalsContact C-N 3.26Å; L137-M139 PolarHBondContact O-N 2.74Å; M139-N141 VanDerWaalsContact C-N 3.27Å; M139-P142 HydrophobicContact CE-CB 4.39Å; M139-P142 WeakPolarHBondContact O-CD 3.11Å; M139-P142 HydrophobicContact SD-CB 4.39Å; M139-V193 HydrophobicContact SD-CB 4.38Å; M139-V193 HydrophobicContact SD-CG1 4.08Å
140E93.7Very high87.6Confident82 Ų8267 Ų6738%0.38335%0.346SS..THydrogen-bonded Turntrans-71.9-24.8169.5-65.2172.8173.700111.8L137 L138 N157 Y159L137-E140 VanDerWaalsContact O-CB 3.26Å; L137-E140 WeakPolarHBondContact O-CB 3.5Å; L137-E140 WeakPolarHBondContact O-CG 3.46Å; L137-E140 PolarHBondContact O-N 3.08Å; L138-E140 PolarHBondContact O-N 3.36Å; E140-N157 HydrophobicContact CB-CB 3.81Å; E140-Y159 PolarHBondContact OE2-OH 2.78Å
141N93.6Very high87.1Confident12 Ų1268.9 Ų68.96%0.06436%0.356CS..SBendtrans-144.563.8177.6-164-98.3000110.8L138 M139 N154 E156 R158 R192L138-N141 CarbonylContact O-C 3.55Å; L138-N141 PolarHBondContact O-N 3.33Å; M139-N141 VanDerWaalsContact C-N 3.27Å; N141-N154 PolarHBondContact ND2-O 3.47Å; N141-E156 PolarHBondContact ND2-O 3.36Å; N141-R158 PolarHBondContact OD1-NE 3.08Å; N141-R192 PolarHBondContact O-NE 2.93Å; N141-R192 VanDerWaalsContact O-NE 3.08Å; N141-R192 PolarHBondContact O-NH2 3.18Å; N141-R192 VanDerWaalsContact OD1-CZ 3.26Å; N141-R192 PolarHBondContact OD1-NE 2.86Å; N141-R192 PolarHBondContact OD1-NH2 3.02Å; N141-R192 VanDerWaalsContact OD1-NH2 3.08Å
142P94.4Very high86.3Confident21 Ų2177.3 Ų77.314%0.13640%0.395CS..  trans-63.8157.2178.531.2-35.3000110.3M139 R192 V193 D195M139-P142 HydrophobicContact CE-CB 4.39Å; M139-P142 WeakPolarHBondContact O-CD 3.11Å; M139-P142 HydrophobicContact SD-CB 4.39Å; P142-R192 PolarHBondContact O-NH2 3.37Å; P142-V193 CarbonylContact C-O 3.55Å; P142-V193 WeakPolarHBondContact CA-O 3.14Å; P142-D195 HydrophobicContact CB-CB 4.34Å
143Y93.8Very high85.6Confident23 Ų2378.6 Ų78.69%0.0940%0.402CS..BIsolated β-bridgetrans-89.5110.7174.9-178.1-93.6000110.4G145 I187 V193 L194 D195 Y198 M237Y143-G145 VanDerWaalsContact CZ-C 3.48Å; Y143-I187 HydrophobicContact CD1-CD1 4.07Å; Y143-I187 HydrophobicContact CD2-CD1 3.61Å; Y143-I187 HydrophobicContact CD2-CG2 4.27Å; Y143-I187 HydrophobicContact CE2-CD1 4.2Å; Y143-I187 HydrophobicContact CE2-CG2 4.3Å; Y143-I187 HydrophobicContact CG-CD1 3.53Å; Y143-V193 PolarHBondContact N-O 3.29Å; Y143-L194 HydrophobicContact CD1-CD2 3.61Å; Y143-L194 HydrophobicContact CE1-CD2 4.48Å; Y143-L194 HydrophobicContact CG-CD2 4.21Å; Y143-D195 PolarHBondContact O-N 3.47Å; Y143-Y198 AromaticContact CD1-CD1 3.93Å; Y143-Y198 HydrophobicContact CD1-CD1 3.93Å; Y143-Y198 AromaticContact CD1-CE1 3.64Å; Y143-Y198 HydrophobicContact CD1-CE1 3.64Å; Y143-Y198 HydrophobicContact CE1-CD1 4.18Å; Y143-Y198 AromaticContact CE1-CE1 3.46Å; Y143-Y198 HydrophobicContact CE1-CE1 3.46Å; Y143-Y198 VanDerWaalsContact CE1-CE1 3.46Å; Y143-Y198 AromaticContact CE1-CZ 3.86Å; Y143-M237 HydrophobicContact CD1-SD 4.05Å; Y143-M237 HydrophobicContact CE1-CG 3.92Å; Y143-M237 HydrophobicContact CE1-SD 3.69Å
144E93.1Very high85Confident146 Ų14680.8 Ų80.868%0.68242%0.416SS*.  trans-92.12.7-176.7-63.2177.7-17200113.3D195 Y198E144-D195 HydrophobicContact CG-CB 3.98Å; E144-Y198 WeakPolarHBondContact O-CD2 3.31Å
145G91Very high84.5Confident15 Ų1585.4 Ų85.416%0.15544%0.444CS..SBendtrans114.1-178.4-175.100000113.6Y143 Y198Y143-G145 VanDerWaalsContact CZ-C 3.48Å; G145-Y198 VanDerWaalsContact CA-CE2 3.47Å
146P87.6Confident84.3Confident67 Ų6789 Ų8944%0.43546%0.461SS..SBendtrans-60.3138.1-178.6-22.533.6000112I148 P234P146-I148 PolarHBondContact O-N 3.04Å; P146-P234 HydrophobicContact CG-CG 3.53Å
147A80.1Confident84.2Confident67 Ų6785.3 Ų85.355%0.55445%0.449SS*.PPolyproline II helixtrans-55.5128.2178.300000111.6
148I76.2Confident84.2Confident121 Ų12186 Ų8662%0.62145%0.451SS*.PPolyproline II helixtrans-70.6133.8173.5-57.4174.1000107.8P146 G150 Q151P146-I148 PolarHBondContact O-N 3.04Å; I148-G150 PolarHBondContact O-N 3.06Å; I148-Q151 PolarHBondContact O-N 3.49Å
149R67.6Low84.2Confident251 Ų25186.8 Ų86.895%0.94745%0.454SS*.THydrogen-bonded Turntrans-49.9118.1-178.1-75.2-169.2-174.9-159.72.5111.5
150G61.3Low84.4Confident84 Ų8484.6 Ų84.687%0.86645%0.445SS*.THydrogen-bonded Turntrans98.7-0.9175.300000115.4I148I148-G150 PolarHBondContact O-N 3.06Å
151Q73.6Confident84.5Confident131 Ų13182 Ų8261%0.61243%0.433SS*.PPolyproline II helixtrans-87.3131.3165.6-79.5177-26.500110.2I148I148-Q151 PolarHBondContact O-N 3.49Å
152E70.3Confident84.5Confident196 Ų19687.3 Ų87.392%0.91646%0.457SS*.PPolyproline II helixtrans-70.9127.6166.7-70.5-178.817100108.4N154E152-N154 PolarHBondContact O-N 3.16Å
153E71.3Confident84.5Confident90 Ų9089 Ų8942%0.42147%0.466SS..PPolyproline II helixtrans-74.5128.2179.5-151.6-174.1156.400109.4T155 R158 R192E153-T155 PolarHBondContact O-N 2.98Å; E153-T155 VanDerWaalsContact O-N 3.16Å; E153-R158 IonicContact OE1-CZ 2.95Å; E153-R158 IonicContact OE1-NH1 2.69Å; E153-R158 IonicContact OE1-NH2 3.85Å; E153-R158 PolarHBondContact OE1-NH2 2.98Å; E153-R192 IonicContact OE1-NH1 3.25Å; E153-R192 PolarHBondContact OE1-NH1 2.92Å
154N79.4Confident84.6Confident87 Ų8788 Ų8847%0.46546%0.461SS..  trans-72.2110.6174.4-174.53.5000109.4N141 E152 E156 R158N141-N154 PolarHBondContact ND2-O 3.47Å; E152-N154 PolarHBondContact O-N 3.16Å; N154-E156 VanDerWaalsContact OD1-CB 3.31Å; N154-E156 WeakPolarHBondContact OD1-CB 3.21Å; N154-E156 PolarHBondContact OD1-N 3.28Å; N154-R158 PolarHBondContact O-NE 3.3Å; N154-R158 PolarHBondContact O-NH2 3.35Å
155T83.3Confident84.6Confident96 Ų9682.2 Ų82.259%0.58944%0.435SS*.  trans-96.61.117861.10000113.6E153E153-T155 PolarHBondContact O-N 2.98Å; E153-T155 VanDerWaalsContact O-N 3.16Å
156E86.8Confident84.6Confident130 Ų13088.3 Ų88.361%0.60746%0.46SS*.THydrogen-bonded Turntrans-70.3151.4175.7-60.4-175.616600110.9N141 N154 R158N141-E156 PolarHBondContact ND2-O 3.36Å; N154-E156 VanDerWaalsContact OD1-CB 3.31Å; N154-E156 WeakPolarHBondContact OD1-CB 3.21Å; N154-E156 PolarHBondContact OD1-N 3.28Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 2.72Å
157N90.1Very high84.8Confident79 Ų7989 Ų8942%0.42245%0.454SS..THydrogen-bonded Turntrans57.239.5175.9-50.5-40.2000114.3E140 Y159E140-N157 HydrophobicContact CB-CB 3.81Å; N157-Y159 HydrophobicContact CB-CE2 4.32Å; N157-Y159 WeakPolarHBondContact O-CD2 3.5Å; N157-Y159 WeakPolarHBondContact O-CE2 3.44Å
158R93.2Very high85.4Confident26 Ų2685.9 Ų85.910%0.09843%0.428CS..  trans-99.2142.2167.3-62.9-176.1-177.8-173.65.1109.6N141 E153 N154 E156 Y190N141-R158 PolarHBondContact OD1-NE 3.08Å; E153-R158 IonicContact OE1-CZ 2.95Å; E153-R158 IonicContact OE1-NH1 2.69Å; E153-R158 IonicContact OE1-NH2 3.85Å; E153-R158 PolarHBondContact OE1-NH2 2.98Å; N154-R158 PolarHBondContact O-NE 3.3Å; N154-R158 PolarHBondContact O-NH2 3.35Å; E156-R158 VanDerWaalsContact C-N 3.32Å; E156-R158 PolarHBondContact O-N 2.72Å; R158-Y190 HydrophobicContact CB-CD1 3.54Å; R158-Y190 HydrophobicContact CB-CD2 4.23Å; R158-Y190 HydrophobicContact CB-CE1 4.04Å; R158-Y190 HydrophobicContact CB-CG 3.64Å; R158-Y190 HydrophobicContact CG-CG 4.5Å
159Y95.4Very high86.2Confident19 Ų1980.6 Ų80.68%0.07540%0.4CS..BIsolated β-bridgetrans-127.6129-170.8-57.6-73.2000110.8L137 E140 N157 D163 L164 R167 W191L137-Y159 HydrophobicContact CB-CD2 4.26Å; L137-Y159 HydrophobicContact CB-CE2 3.86Å; L137-Y159 HydrophobicContact CD2-CE2 4.43Å; E140-Y159 PolarHBondContact OE2-OH 2.78Å; N157-Y159 HydrophobicContact CB-CE2 4.32Å; N157-Y159 WeakPolarHBondContact O-CD2 3.5Å; N157-Y159 WeakPolarHBondContact O-CE2 3.44Å; Y159-D163 HydrophobicContact CD1-CB 4.08Å; Y159-L164 HydrophobicContact CD2-CD2 4.46Å; Y159-L164 HydrophobicContact CG-CD2 4.05Å; Y159-R167 VanDerWaalsContact CZ-NH1 3.26Å; Y159-R167 PolarHBondContact OH-NH1 3.44Å; Y159-W191 PolarHBondContact O-N 3.39Å
160T96.3Very high87.5Confident33 Ų3368.7 Ų68.720%0.20236%0.356CS..  trans-77.1175.1167.677.50000110.4E162 D163 L164 Y190T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.26Å; T160-E162 PolarHBondContact O-N 3.22Å; T160-E162 PolarHBondContact OG1-N 3.42Å; T160-E162 PolarHBondContact OG1-OE2 2.65Å; T160-D163 PolarHBondContact N-OD2 2.81Å; T160-D163 PolarHBondContact O-N 2.99Å; T160-D163 PolarHBondContact OG1-N 2.93Å; T160-D163 PolarHBondContact OG1-OD2 3.06Å; T160-L164 VanDerWaalsContact O-CG 3.32Å; T160-L164 WeakPolarHBondContact O-CG 3.32Å; T160-L164 PolarHBondContact O-N 2.63Å; T160-L164 VanDerWaalsContact O-N 3.13Å; T160-Y190 HydrophobicContact CG2-CD1 3.97Å; T160-Y190 HydrophobicContact CG2-CE1 3.89Å
161M95.6Very high89.1Confident27 Ų2764.7 Ų64.713%0.13332%0.315CS..Hα-helixtrans-58.9-43.2172.8-179.759.679.900110.8L164 L165 L175 K176 L179 W191M161-L164 PolarHBondContact O-N 3.26Å; M161-L165 HydrophobicContact CG-CD1 3.84Å; M161-L165 HydrophobicContact CG-CG 4.28Å; M161-L165 WeakPolarHBondContact O-CG 3.37Å; M161-L165 PolarHBondContact O-N 3.33Å; M161-L165 HydrophobicContact SD-CD1 4.26Å; M161-L165 HydrophobicContact SD-CD2 4.4Å; M161-L165 HydrophobicContact SD-CG 4.16Å; M161-L175 HydrophobicContact SD-CD2 3.76Å; M161-K176 HydrophobicContact CE-CD 4.4Å; M161-K176 HydrophobicContact CE-CG 3.63Å; M161-L179 HydrophobicContact CE-CD1 3.89Å; M161-W191 HydrophobicContact CE-CZ2 3.84Å
162E94.2Very high90.1Very high124 Ų12462.1 Ų62.158%0.57930%0.302SS*.Hα-helixtrans-60.9-46.7178.8-60.276.2-16500111.5T160 L164 L165 E166T160-E162 VanDerWaalsContact C-N 3.27Å; T160-E162 VanDerWaalsContact CB-OE2 3.32Å; T160-E162 WeakPolarHBondContact CB-OE2 3.26Å; T160-E162 PolarHBondContact O-N 3.22Å; T160-E162 PolarHBondContact OG1-N 3.42Å; T160-E162 PolarHBondContact OG1-OE2 2.65Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.65Å; E162-L165 PolarHBondContact O-N 2.94Å; E162-L165 VanDerWaalsContact O-N 3.15Å; E162-E166 PolarHBondContact O-N 2.81Å
163D94.8Very high91.3Very high58 Ų5857.8 Ų57.831%0.3128%0.282SS..Hα-helixtrans-58.6-40.2177.5-61.3-35.8000111.8Y159 T160 R167Y159-D163 HydrophobicContact CD1-CB 4.08Å; T160-D163 PolarHBondContact N-OD2 2.81Å; T160-D163 PolarHBondContact O-N 2.99Å; T160-D163 PolarHBondContact OG1-N 2.93Å; T160-D163 PolarHBondContact OG1-OD2 3.06Å; D163-R167 WeakPolarHBondContact O-CG 3.24Å; D163-R167 PolarHBondContact O-N 2.92Å
164L94.9Very high92.5Very high0 Ų055 Ų550%027%0.269CS..Hα-helixtrans-69.1-41.1177.7-66.2177.2000111.7L134 L138 Y159 T160 M161 E162 E166 R167 I168 L175 L179 W191L134-L164 HydrophobicContact CD1-CD1 3.79Å; L134-L164 HydrophobicContact CD1-CD2 3.58Å; L134-L164 HydrophobicContact CD1-CG 4.18Å; L138-L164 HydrophobicContact CD2-CD1 4.42Å; L138-L164 HydrophobicContact CD2-CD2 4.3Å; Y159-L164 HydrophobicContact CD2-CD2 4.46Å; Y159-L164 HydrophobicContact CG-CD2 4.05Å; T160-L164 VanDerWaalsContact O-CG 3.32Å; T160-L164 WeakPolarHBondContact O-CG 3.32Å; T160-L164 PolarHBondContact O-N 2.63Å; T160-L164 VanDerWaalsContact O-N 3.13Å; M161-L164 PolarHBondContact O-N 3.26Å; E162-L164 VanDerWaalsContact C-N 3.27Å; E162-L164 PolarHBondContact O-N 2.65Å; L164-E166 VanDerWaalsContact C-N 3.26Å; L164-E166 PolarHBondContact O-N 2.9Å; L164-R167 PolarHBondContact O-N 3.35Å; L164-I168 VanDerWaalsContact O-CB 3.25Å; L164-I168 WeakPolarHBondContact O-CB 3.38Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.39Å; L164-I168 PolarHBondContact O-N 3.42Å; L164-L175 HydrophobicContact CB-CD2 3.81Å; L164-L179 HydrophobicContact CD1-CD1 4.44Å; L164-L179 HydrophobicContact CD1-CD2 4.24Å; L164-W191 HydrophobicContact CD1-CB 3.98Å; L164-W191 HydrophobicContact CD1-CG 4.11Å
165L93.3Very high93.3Very high25 Ų2550.9 Ų50.913%0.13125%0.247CC..Hα-helixtrans-66.2-27.8178.4-66167.9000112.3R61 M161 E162 E172 L175R61-L165 WeakPolarHBondContact CD-O 3.43Å; M161-L165 HydrophobicContact CG-CD1 3.84Å; M161-L165 HydrophobicContact CG-CG 4.28Å; M161-L165 WeakPolarHBondContact O-CG 3.37Å; M161-L165 PolarHBondContact O-N 3.33Å; M161-L165 HydrophobicContact SD-CD1 4.26Å; M161-L165 HydrophobicContact SD-CD2 4.4Å; M161-L165 HydrophobicContact SD-CG 4.16Å; E162-L165 PolarHBondContact O-N 2.94Å; E162-L165 VanDerWaalsContact O-N 3.15Å; L165-E172 HydrophobicContact CD1-CG 4.4Å; L165-E172 HydrophobicContact CD2-CB 4.02Å; L165-E172 HydrophobicContact CD2-CG 4.14Å; L165-L175 HydrophobicContact CD2-CB 4.48Å; L165-L175 HydrophobicContact CD2-CD2 3.52Å; L165-L175 HydrophobicContact CG-CD2 3.95Å
166E91.3Very high93.9Very high144 Ų14450.2 Ų50.267%0.67324%0.236SC*.Hα-helixtrans-72.6-34.3174.4-72.9-173.1176.200112.7E162 L164E162-E166 PolarHBondContact O-N 2.81Å; L164-E166 VanDerWaalsContact C-N 3.26Å; L164-E166 PolarHBondContact O-N 2.9Å
167R91.4Very high94.2Very high81 Ų8147.9 Ų47.931%0.30623%0.231SC..Hα-helixtrans-99.8-23.6-172.2-59.7-178.988.9-171.59114.1K133 L137 Y159 D163 L164K133-R167 WeakPolarHBondContact CE-O 3.46Å; K133-R167 PolarHBondContact NZ-O 2.89Å; L137-R167 HydrophobicContact CD1-CB 4.29Å; Y159-R167 VanDerWaalsContact CZ-NH1 3.26Å; Y159-R167 PolarHBondContact OH-NH1 3.44Å; D163-R167 WeakPolarHBondContact O-CG 3.24Å; D163-R167 PolarHBondContact O-N 2.92Å; L164-R167 PolarHBondContact O-N 3.35Å
168I93.3Very high94.4Very high1 Ų146.2 Ų46.21%0.00522%0.22CC..SBendtrans-101133-174.1-56.9-58.5000111.6L131 K133 L134 L137 L164 A170 L175L131-I168 HydrophobicContact CD2-CG2 3.91Å; K133-I168 HydrophobicContact CB-CD1 3.83Å; K133-I168 HydrophobicContact CD-CD1 3.9Å; K133-I168 HydrophobicContact CG-CD1 3.69Å; L134-I168 HydrophobicContact CB-CD1 4.08Å; L134-I168 HydrophobicContact CB-CG1 4.32Å; L134-I168 HydrophobicContact CD1-CG1 4.34Å; L137-I168 HydrophobicContact CD1-CD1 3.94Å; L164-I168 VanDerWaalsContact O-CB 3.25Å; L164-I168 WeakPolarHBondContact O-CB 3.38Å; L164-I168 VanDerWaalsContact O-CG1 3.27Å; L164-I168 WeakPolarHBondContact O-CG1 3.39Å; L164-I168 PolarHBondContact O-N 3.42Å; I168-A170 HydrophobicContact CG2-CB 3.95Å; I168-A170 PolarHBondContact O-N 3.07Å; I168-L175 HydrophobicContact CB-CD1 4.22Å; I168-L175 HydrophobicContact CG1-CD1 4.33Å; I168-L175 HydrophobicContact CG2-CD1 3.95Å
169Q93.4Very high94.5Very high11 Ų1145 Ų455%0.05122%0.216CC..SBendtrans-82.264.7178.9-51.4-162.5-55.900111.6R67 V69R67-Q169 PolarHBondContact O-NE2 3.17Å; V69-Q169 HydrophobicContact CG1-CB 4.13Å; V69-Q169 HydrophobicContact CG2-CB 3.82Å; V69-Q169 HydrophobicContact CG2-CG 4.45Å
170A94.8Very high94.4Very high1 Ų150.7 Ų50.71%0.00824%0.243CC..SBendtrans-146.9156.4-179.800000110.5R61 C71 T76 P129 L131 I168 E174R61-A170 WeakPolarHBondContact CD-O 3.3Å; R61-A170 PolarHBondContact NH1-O 3.21Å; C71-A170 VanDerWaalsContact SG-C 3.51Å; C71-A170 PolarHBondContact SG-O 2.9Å; T76-A170 VanDerWaalsContact OG1-CA 3.28Å; T76-A170 WeakPolarHBondContact OG1-CA 3.47Å; P129-A170 HydrophobicContact CB-CB 3.63Å; L131-A170 HydrophobicContact CD2-CB 3.7Å; I168-A170 HydrophobicContact CG2-CB 3.95Å; I168-A170 PolarHBondContact O-N 3.07Å; A170-E174 HydrophobicContact CB-CB 4.26Å
171S94.9Very high94.2Very high0 Ų053.6 Ų53.60%026%0.261CS..  trans-68.9167.6165.564.40000111.1S72 D74 K75 T76 E174 L175S72-S171 VanDerWaalsContact O-CB 3.31Å; S72-S171 WeakPolarHBondContact O-CB 3.42Å; D74-S171 PolarHBondContact O-OG 3.4Å; K75-S171 PolarHBondContact N-OG 3.49Å; T76-S171 PolarHBondContact OG1-N 3.28Å; S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.16Å; S171-E174 VanDerWaalsContact OG-CB 3.27Å; S171-E174 WeakPolarHBondContact OG-CB 3.34Å; S171-E174 WeakPolarHBondContact OG-CG 3.24Å; S171-E174 PolarHBondContact OG-N 3.45Å; S171-E174 PolarHBondContact OG-OE2 2.95Å; S171-L175 WeakPolarHBondContact O-CB 3.47Å; S171-L175 PolarHBondContact O-N 3.06Å
172E95.3Very high94Very high76 Ų7653.1 Ų53.136%0.35526%0.259SS..Hα-helixtrans-65.3-43.2-179.5-172.9-179.9159.300112.2S73 L165 L175 K176S73-E172 PolarHBondContact O-N 2.58Å; L165-E172 HydrophobicContact CD1-CG 4.4Å; L165-E172 HydrophobicContact CD2-CB 4.02Å; L165-E172 HydrophobicContact CD2-CG 4.14Å; E172-L175 PolarHBondContact O-N 3.31Å; E172-K176 HydrophobicContact CG-CD 4.36Å; E172-K176 WeakPolarHBondContact O-CG 3.27Å; E172-K176 PolarHBondContact O-N 2.7Å; E172-K176 VanDerWaalsContact OE1-CE 3.22Å; E172-K176 WeakPolarHBondContact OE1-CE 2.89Å; E172-K176 IonicContact OE1-NZ 2.92Å; E172-K176 PolarHBondContact OE1-NZ 2.77Å
173E95.4Very high94Very high106 Ų10649.4 Ų49.450%0.49524%0.241SC..Hα-helixtrans-67.5-39.9177.5-63.9-170.917000112.3S73 D74 L175 K176 T177S73-E173 PolarHBondContact O-N 3.2Å; D74-E173 HydrophobicContact CB-CB 4.36Å; D74-E173 HydrophobicContact CB-CG 4.25Å; D74-E173 WeakPolarHBondContact CB-OE2 3.46Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.45Å; E173-K176 PolarHBondContact O-N 2.95Å; E173-T177 WeakPolarHBondContact O-CB 3.45Å; E173-T177 PolarHBondContact O-N 3.07Å; E173-T177 PolarHBondContact O-OG1 2.74Å
174E95.3Very high94.1Very high31 Ų3146.9 Ų46.915%0.14523%0.229CC..Hα-helixtrans-62.3-40.3175.8-75.2167.3149.700111.3T76 P129 A170 S171 H178T76-E174 WeakPolarHBondContact CB-OE2 3.45Å; T76-E174 PolarHBondContact N-OE2 2.92Å; T76-E174 PolarHBondContact OG1-OE2 3.25Å; P129-E174 HydrophobicContact CB-CB 4.25Å; P129-E174 HydrophobicContact CG-CB 4Å; P129-E174 HydrophobicContact CG-CG 4.04Å; A170-E174 HydrophobicContact CB-CB 4.26Å; S171-E174 WeakPolarHBondContact CB-OE2 3.38Å; S171-E174 PolarHBondContact N-OE2 3.16Å; S171-E174 VanDerWaalsContact OG-CB 3.27Å; S171-E174 WeakPolarHBondContact OG-CB 3.34Å; S171-E174 WeakPolarHBondContact OG-CG 3.24Å; S171-E174 PolarHBondContact OG-N 3.45Å; S171-E174 PolarHBondContact OG-OE2 2.95Å; E174-H178 WeakPolarHBondContact O-CB 3.21Å; E174-H178 PolarHBondContact O-N 2.91Å
175L95.7Very high94.1Very high0 Ų047.2 Ų47.20%023%0.231CC..Hα-helixtrans-65.1-48.3176.9-175.167.9000111.6L131 L134 M161 L164 L165 I168 S171 E172 E173 T177 H178 L179L131-L175 HydrophobicContact CD2-CD1 4.21Å; L134-L175 HydrophobicContact CD1-CD1 3.99Å; L134-L175 HydrophobicContact CD2-CD1 3.47Å; L134-L175 VanDerWaalsContact CD2-CD1 3.47Å; L134-L175 HydrophobicContact CG-CD1 4.2Å; M161-L175 HydrophobicContact SD-CD2 3.76Å; L164-L175 HydrophobicContact CB-CD2 3.81Å; L165-L175 HydrophobicContact CD2-CB 4.48Å; L165-L175 HydrophobicContact CD2-CD2 3.52Å; L165-L175 HydrophobicContact CG-CD2 3.95Å; I168-L175 HydrophobicContact CB-CD1 4.22Å; I168-L175 HydrophobicContact CG1-CD1 4.33Å; I168-L175 HydrophobicContact CG2-CD1 3.95Å; S171-L175 WeakPolarHBondContact O-CB 3.47Å; S171-L175 PolarHBondContact O-N 3.06Å; E172-L175 PolarHBondContact O-N 3.31Å; E173-L175 VanDerWaalsContact C-N 3.3Å; E173-L175 PolarHBondContact O-N 3.45Å; L175-T177 PolarHBondContact O-N 2.65Å; L175-H178 PolarHBondContact O-N 2.96Å; L175-H178 VanDerWaalsContact O-N 3.16Å; L175-L179 HydrophobicContact CG-CD1 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.07Å
176K95.8Very high94.2Very high82 Ų8250.3 Ų50.336%0.35725%0.252SS..Hα-helixtrans-58.9-47.4177.1-75174.6-175.9170.10112M161 E172 E173 H178 L179 E180M161-K176 HydrophobicContact CE-CD 4.4Å; M161-K176 HydrophobicContact CE-CG 3.63Å; E172-K176 HydrophobicContact CG-CD 4.36Å; E172-K176 WeakPolarHBondContact O-CG 3.27Å; E172-K176 PolarHBondContact O-N 2.7Å; E172-K176 VanDerWaalsContact OE1-CE 3.22Å; E172-K176 WeakPolarHBondContact OE1-CE 2.89Å; E172-K176 IonicContact OE1-NZ 2.92Å; E172-K176 PolarHBondContact OE1-NZ 2.77Å; E173-K176 PolarHBondContact O-N 2.95Å; K176-H178 PolarHBondContact O-N 2.64Å; K176-L179 WeakPolarHBondContact O-CB 3.28Å; K176-L179 PolarHBondContact O-N 2.87Å; K176-L179 VanDerWaalsContact O-N 3.17Å; K176-E180 PolarHBondContact O-N 2.85Å
177T94.4Very high94.2Very high82 Ų8244.2 Ų44.250%0.50322%0.224SC..Hα-helixtrans-58-39.2177-55.70000111E173 L175 T181E173-T177 WeakPolarHBondContact O-CB 3.45Å; E173-T177 PolarHBondContact O-N 3.07Å; E173-T177 PolarHBondContact O-OG1 2.74Å; L175-T177 PolarHBondContact O-N 2.65Å; T177-T181 PolarHBondContact O-N 3.08Å; T177-T181 PolarHBondContact O-OG1 3.38Å
178H93.6Very high94.1Very high43 Ų4346 Ų4620%0.19924%0.24CC..Hα-helixtrans-72.5-38.7178-161.264000113.3L131 L134 E174 L175 K176 E180 T181 I182L131-H178 HydrophobicContact CD1-CB 3.68Å; L131-H178 HydrophobicContact CD2-CB 4.14Å; L131-H178 HydrophobicContact CG-CB 4.34Å; L134-H178 HydrophobicContact CD2-CB 4.3Å; E174-H178 WeakPolarHBondContact O-CB 3.21Å; E174-H178 PolarHBondContact O-N 2.91Å; L175-H178 PolarHBondContact O-N 2.96Å; L175-H178 VanDerWaalsContact O-N 3.16Å; K176-H178 PolarHBondContact O-N 2.64Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact O-N 3.27Å; H178-T181 WeakPolarHBondContact O-CB 3.24Å; H178-T181 PolarHBondContact O-N 3.43Å; H178-T181 VanDerWaalsContact O-N 3.08Å; H178-I182 WeakPolarHBondContact O-CG1 3.34Å; H178-I182 PolarHBondContact O-N 3.48Å
179L95.6Very high94Very high0 Ų048.8 Ų48.80%027%0.269CS..Hα-helixtrans-55.9-45.4173.8-73.9165.6000110.8L134 L138 M161 L164 L175 K176 I182 H183 A184 W191L134-L179 HydrophobicContact CD1-CD2 4.17Å; L134-L179 HydrophobicContact CD2-CD2 3.81Å; L134-L179 HydrophobicContact CD2-CG 3.96Å; L134-L179 HydrophobicContact CG-CD2 4.36Å; L138-L179 HydrophobicContact CD1-CD2 3.64Å; M161-L179 HydrophobicContact CE-CD1 3.89Å; L164-L179 HydrophobicContact CD1-CD1 4.44Å; L164-L179 HydrophobicContact CD1-CD2 4.24Å; L175-L179 HydrophobicContact CG-CD1 4.29Å; L175-L179 WeakPolarHBondContact O-CG 3.35Å; L175-L179 PolarHBondContact O-N 3.07Å; K176-L179 WeakPolarHBondContact O-CB 3.28Å; K176-L179 PolarHBondContact O-N 2.87Å; K176-L179 VanDerWaalsContact O-N 3.17Å; L179-I182 WeakPolarHBondContact O-CG1 3.35Å; L179-I182 PolarHBondContact O-N 2.64Å; L179-H183 PolarHBondContact O-N 2.87Å; L179-A184 HydrophobicContact CB-CB 4.17Å; L179-A184 HydrophobicContact CD2-CB 3.69Å; L179-A184 WeakPolarHBondContact O-CB 3.46Å; L179-A184 PolarHBondContact O-N 3.45Å; L179-W191 HydrophobicContact CB-CE3 4.25Å; L179-W191 HydrophobicContact CB-CH2 4.5Å; L179-W191 HydrophobicContact CB-CZ3 4.05Å; L179-W191 HydrophobicContact CD1-CD2 3.75Å; L179-W191 HydrophobicContact CD1-CE3 3.97Å; L179-W191 HydrophobicContact CD1-CG 4.23Å; L179-W191 HydrophobicContact CD1-CH2 4.2Å; L179-W191 HydrophobicContact CD1-CZ2 4.01Å; L179-W191 HydrophobicContact CD1-CZ3 4.17Å; L179-W191 HydrophobicContact CD2-CB 4.38Å; L179-W191 HydrophobicContact CD2-CD2 4.15Å; L179-W191 HydrophobicContact CD2-CE3 3.98Å; L179-W191 HydrophobicContact CD2-CG 4.32Å; L179-W191 HydrophobicContact CG-CD2 4.46Å; L179-W191 HydrophobicContact CG-CE3 4.29Å
180E93.3Very high94.1Very high139 Ų13952.5 Ų52.565%0.6528%0.284SS*.Hα-helixtrans-61.7-43.6173.8-67.9173.8-175.500111.8K176 H178 I182 H183K176-E180 PolarHBondContact O-N 2.85Å; H178-E180 VanDerWaalsContact C-N 3.28Å; H178-E180 PolarHBondContact O-N 3.27Å; E180-I182 VanDerWaalsContact C-N 3.28Å; E180-I182 PolarHBondContact O-N 2.88Å; E180-H183 PolarHBondContact O-N 2.96Å
181T91.4Very high94.2Very high95 Ų9554.9 Ų54.958%0.58329%0.292SS*.Hα-helixtrans-61.2-34.8-179.9-58.30000112.8T177 H178 H183T177-T181 PolarHBondContact O-N 3.08Å; T177-T181 PolarHBondContact O-OG1 3.38Å; H178-T181 WeakPolarHBondContact O-CB 3.24Å; H178-T181 PolarHBondContact O-N 3.43Å; H178-T181 VanDerWaalsContact O-N 3.08Å; T181-H183 VanDerWaalsContact C-N 3.32Å
182I92.3Very high94.3Very high17 Ų1755.5 Ų55.59%0.08730%0.295CS..THydrogen-bonded Turntrans-94.613.617869-179000112.8L134 K135 L138 H178 L179 E180 A184 V193L134-I182 HydrophobicContact CD2-CD1 4.22Å; L134-I182 HydrophobicContact CG-CD1 4.31Å; K135-I182 HydrophobicContact CB-CD1 4.43Å; L138-I182 HydrophobicContact CD1-CD1 3.86Å; H178-I182 WeakPolarHBondContact O-CG1 3.34Å; H178-I182 PolarHBondContact O-N 3.48Å; L179-I182 WeakPolarHBondContact O-CG1 3.35Å; L179-I182 PolarHBondContact O-N 2.64Å; E180-I182 VanDerWaalsContact C-N 3.28Å; E180-I182 PolarHBondContact O-N 2.88Å; I182-A184 HydrophobicContact CD1-CB 4.41Å; I182-A184 HydrophobicContact CG1-CB 4.04Å; I182-A184 PolarHBondContact O-N 3.15Å; I182-V193 HydrophobicContact CD1-CG2 3.92Å; I182-V193 HydrophobicContact CG1-CG2 4.12Å
183H94.6Very high94.3Very high45 Ų4552.2 Ų52.221%0.20828%0.28CS..THydrogen-bonded Turntrans56.829.2179.6-57.4176.8000113.8L179 E180 T181 E199 H240L179-H183 PolarHBondContact O-N 2.87Å; E180-H183 PolarHBondContact O-N 2.96Å; T181-H183 VanDerWaalsContact C-N 3.32Å; H183-E199 IonicContact CE1-OE1 3.37Å; H183-E199 IonicContact CG-OE1 2.72Å; H183-E199 IonicContact ND1-OE1 3.12Å; H183-E199 PolarHBondContact ND1-OE1 3.17Å; H183-H240 PolarHBondContact O-CE1 3.36Å; H183-H240 PolarHBondContact O-NE2 2.99Å
184A96.1Very high94.3Very high6 Ų647.4 Ų47.45%0.0526%0.258CS..  trans-71.3147173.800000110.7L138 L179 I182 W191 R192 V193L138-A184 HydrophobicContact CD1-CB 4.11Å; L179-A184 HydrophobicContact CB-CB 4.17Å; L179-A184 HydrophobicContact CD2-CB 3.69Å; L179-A184 WeakPolarHBondContact O-CB 3.46Å; L179-A184 PolarHBondContact O-N 3.45Å; I182-A184 HydrophobicContact CD1-CB 4.41Å; I182-A184 HydrophobicContact CG1-CB 4.04Å; I182-A184 PolarHBondContact O-N 3.15Å; A184-W191 HydrophobicContact CB-CE3 4.06Å; A184-R192 CarbonylContact C-O 3.55Å; A184-R192 VanDerWaalsContact CA-O 3.24Å; A184-R192 WeakPolarHBondContact CA-O 3.35Å; A184-V193 HydrophobicContact CB-CG2 3.84Å
185C95.4Very high94.3Very high7 Ų747.9 Ų47.95%0.04726%0.261CS..EExtended strand (participates in β ladder)trans-139.3157.4176.856.70000112.3I187 R192 H240C185-I187 PolarHBondContact O-N 2.97Å; C185-R192 PolarHBondContact N-O 2.96Å; C185-R192 PolarHBondContact O-N 3.36Å; C185-H240 VanDerWaalsContact CB-CE1 3.47Å; C185-H240 WeakPolarHBondContact CB-CE1 3.17Å
186P94.6Very high94.1Very high89 Ų8949.6 Ų49.658%0.57827%0.269SS*.EExtended strand (participates in β ladder)trans-74.2122.1171.529.6-32.9000110.5Y190P186-Y190 CarbonylContact C-O 3.48Å; P186-Y190 WeakPolarHBondContact CA-O 3.37Å
187I92.4Very high94.1Very high16 Ų1650.8 Ų50.88%0.08228%0.279CS..EExtended strand (participates in β ladder)trans-127.2119.6174-55.5-178000107.1Y143 C185 G189 Y190 R192 L194 M237Y143-I187 HydrophobicContact CD1-CD1 4.07Å; Y143-I187 HydrophobicContact CD2-CD1 3.61Å; Y143-I187 HydrophobicContact CD2-CG2 4.27Å; Y143-I187 HydrophobicContact CE2-CD1 4.2Å; Y143-I187 HydrophobicContact CE2-CG2 4.3Å; Y143-I187 HydrophobicContact CG-CD1 3.53Å; C185-I187 PolarHBondContact O-N 2.97Å; I187-G189 PolarHBondContact O-N 3.31Å; I187-G189 VanDerWaalsContact O-N 3.17Å; I187-Y190 PolarHBondContact N-O 3.15Å; I187-Y190 PolarHBondContact O-N 3.31Å; I187-R192 HydrophobicContact CD1-CB 4.13Å; I187-R192 HydrophobicContact CG1-CB 4.5Å; I187-L194 HydrophobicContact CD1-CD2 4.5Å; I187-M237 HydrophobicContact CD1-CE 4.14Å; I187-M237 HydrophobicContact CD1-SD 4.19Å; I187-M237 HydrophobicContact CG1-CE 4.27Å
188D89.6Confident94.1Very high118 Ų11847.4 Ų47.463%0.63126%0.257SS*.THydrogen-bonded Turntrans53.134.6-178.1-55.4-44.9000114.4Y190D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 VanDerWaalsContact O-CD2 3.24Å; D188-Y190 WeakPolarHBondContact O-CD2 3Å
189G91.1Very high94.2Very high61 Ų6146.4 Ų46.463%0.62925%0.252SS*.THydrogen-bonded Turntrans84.31.4-179.200000115.1I187I187-G189 PolarHBondContact O-N 3.31Å; I187-G189 VanDerWaalsContact O-N 3.17Å
190Y95.6Very high94.2Very high89 Ų8946.8 Ų46.835%0.34925%0.254SS..EExtended strand (participates in β ladder)trans-115.6146.5178.5-60.3-82.4000111.4R158 T160 P186 I187 D188R158-Y190 HydrophobicContact CB-CD1 3.54Å; R158-Y190 HydrophobicContact CB-CD2 4.23Å; R158-Y190 HydrophobicContact CB-CE1 4.04Å; R158-Y190 HydrophobicContact CB-CG 3.64Å; R158-Y190 HydrophobicContact CG-CG 4.5Å; T160-Y190 HydrophobicContact CG2-CD1 3.97Å; T160-Y190 HydrophobicContact CG2-CE1 3.89Å; P186-Y190 CarbonylContact C-O 3.48Å; P186-Y190 WeakPolarHBondContact CA-O 3.37Å; I187-Y190 PolarHBondContact N-O 3.15Å; I187-Y190 PolarHBondContact O-N 3.31Å; D188-Y190 VanDerWaalsContact C-N 3.34Å; D188-Y190 VanDerWaalsContact O-CD2 3.24Å; D188-Y190 WeakPolarHBondContact O-CD2 3Å
191W96.8Very high94.3Very high51 Ų5145.1 Ų45.119%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-76.2130.1170.7-74.896.4000110L138 Y159 M161 L164 L179 A184L138-W191 HydrophobicContact CD2-CB 4.09Å; L138-W191 WeakPolarHBondContact CD2-O 3.45Å; Y159-W191 PolarHBondContact O-N 3.39Å; M161-W191 HydrophobicContact CE-CZ2 3.84Å; L164-W191 HydrophobicContact CD1-CB 3.98Å; L164-W191 HydrophobicContact CD1-CG 4.11Å; L179-W191 HydrophobicContact CB-CE3 4.25Å; L179-W191 HydrophobicContact CB-CH2 4.5Å; L179-W191 HydrophobicContact CB-CZ3 4.05Å; L179-W191 HydrophobicContact CD1-CD2 3.75Å; L179-W191 HydrophobicContact CD1-CE3 3.97Å; L179-W191 HydrophobicContact CD1-CG 4.23Å; L179-W191 HydrophobicContact CD1-CH2 4.2Å; L179-W191 HydrophobicContact CD1-CZ2 4.01Å; L179-W191 HydrophobicContact CD1-CZ3 4.17Å; L179-W191 HydrophobicContact CD2-CB 4.38Å; L179-W191 HydrophobicContact CD2-CD2 4.15Å; L179-W191 HydrophobicContact CD2-CE3 3.98Å; L179-W191 HydrophobicContact CD2-CG 4.32Å; L179-W191 HydrophobicContact CG-CD2 4.46Å; L179-W191 HydrophobicContact CG-CE3 4.29Å; A184-W191 HydrophobicContact CB-CE3 4.06Å
192R95.4Very high94.6Very high13 Ų1340.7 Ų40.75%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-136.7147.9175.5-63.1-177.376.1179.3-1.5110.1N141 P142 E153 A184 C185 I187N141-R192 PolarHBondContact O-NE 2.93Å; N141-R192 VanDerWaalsContact O-NE 3.08Å; N141-R192 PolarHBondContact O-NH2 3.18Å; N141-R192 VanDerWaalsContact OD1-CZ 3.26Å; N141-R192 PolarHBondContact OD1-NE 2.86Å; N141-R192 PolarHBondContact OD1-NH2 3.02Å; N141-R192 VanDerWaalsContact OD1-NH2 3.08Å; P142-R192 PolarHBondContact O-NH2 3.37Å; E153-R192 IonicContact OE1-NH1 3.25Å; E153-R192 PolarHBondContact OE1-NH1 2.92Å; A184-R192 CarbonylContact C-O 3.55Å; A184-R192 VanDerWaalsContact CA-O 3.24Å; A184-R192 WeakPolarHBondContact CA-O 3.35Å; C185-R192 PolarHBondContact N-O 2.96Å; C185-R192 PolarHBondContact O-N 3.36Å; I187-R192 HydrophobicContact CD1-CB 4.13Å; I187-R192 HydrophobicContact CG1-CB 4.5Å
193V95.4Very high94.8Very high7 Ų740 Ų404%0.04221%0.214CC..PPolyproline II helixtrans-96.2140.6167173.90000107.3L138 M139 P142 Y143 I182 A184L138-V193 HydrophobicContact CB-CB 4.41Å; L138-V193 HydrophobicContact CB-CG2 3.79Å; L138-V193 HydrophobicContact CD1-CG2 3.74Å; L138-V193 HydrophobicContact CG-CG2 4.43Å; M139-V193 HydrophobicContact SD-CB 4.38Å; M139-V193 HydrophobicContact SD-CG1 4.08Å; P142-V193 CarbonylContact C-O 3.55Å; P142-V193 WeakPolarHBondContact CA-O 3.14Å; Y143-V193 PolarHBondContact N-O 3.29Å; I182-V193 HydrophobicContact CD1-CG2 3.92Å; I182-V193 HydrophobicContact CG1-CG2 4.12Å; A184-V193 HydrophobicContact CB-CG2 3.84Å
194L95.4Very high94.8Very high5 Ų539.1 Ų39.13%0.02622%0.217CC..BIsolated β-bridgetrans-67.4139.9172.9-58.8-171.7000109.4Y143 I187 Y198 E199 L202 M237Y143-L194 HydrophobicContact CD1-CD2 3.61Å; Y143-L194 HydrophobicContact CE1-CD2 4.48Å; Y143-L194 HydrophobicContact CG-CD2 4.21Å; I187-L194 HydrophobicContact CD1-CD2 4.5Å; L194-Y198 HydrophobicContact CB-CD1 4.37Å; L194-Y198 HydrophobicContact CD1-CD1 4.33Å; L194-Y198 HydrophobicContact CD2-CD1 4.16Å; L194-Y198 HydrophobicContact CD2-CE1 4.22Å; L194-E199 HydrophobicContact CB-CB 4.05Å; L194-E199 HydrophobicContact CD1-CB 4.29Å; L194-E199 HydrophobicContact CD1-CG 4.32Å; L194-L202 HydrophobicContact CD1-CD1 3.77Å; L194-M237 HydrophobicContact CD2-SD 3.8Å
195D94.9Very high94.8Very high40 Ų4040.5 Ų40.521%0.21422%0.222CC..PPolyproline II helixtrans-58.3144166.5178.2-100.1000109.7P142 Y143 E144 D197 Y198 E199P142-D195 HydrophobicContact CB-CB 4.34Å; Y143-D195 PolarHBondContact O-N 3.47Å; E144-D195 HydrophobicContact CG-CB 3.98Å; D195-D197 VanDerWaalsContact C-N 3.33Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 WeakPolarHBondContact OD1-CB 3.47Å; D195-D197 PolarHBondContact OD1-N 3.43Å; D195-Y198 WeakPolarHBondContact O-CB 3.4Å; D195-Y198 PolarHBondContact O-N 3.19Å; D195-Y198 VanDerWaalsContact O-N 3.15Å; D195-E199 PolarHBondContact O-N 3.03Å
196F93.4Very high94.9Very high37 Ų3740.5 Ų40.516%0.16222%0.222CC..Hα-helixtrans-59.5-43.5-173.7178-95000112.2Y198 E199 M200 L271 Q275F196-Y198 VanDerWaalsContact C-N 3.29Å; F196-Y198 PolarHBondContact O-N 2.87Å; F196-E199 PolarHBondContact O-N 3.08Å; F196-M200 HydrophobicContact CD1-CG 4.17Å; F196-M200 HydrophobicContact CD2-CG 4.4Å; F196-M200 HydrophobicContact CE1-CG 3.7Å; F196-M200 HydrophobicContact CE2-CE 4.37Å; F196-M200 HydrophobicContact CE2-CG 3.96Å; F196-M200 HydrophobicContact CE2-SD 4.15Å; F196-M200 HydrophobicContact CZ-CG 3.59Å; F196-M200 HydrophobicContact CZ-SD 4.04Å; F196-M200 VanDerWaalsContact O-CG 3.29Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 2.88Å; F196-L271 HydrophobicContact CE2-CB 4.01Å; F196-L271 HydrophobicContact CZ-CB 3.91Å; F196-Q275 HydrophobicContact CD1-CG 3.89Å; F196-Q275 HydrophobicContact CE1-CB 3.76Å; F196-Q275 HydrophobicContact CE1-CG 3.59Å; F196-Q275 HydrophobicContact CZ-CB 4.31Å; F196-Q275 HydrophobicContact CZ-CG 4.43Å
197D94.1Very high94.9Very high106 Ų10636.7 Ų36.757%0.56720%0.198SC*.Hα-helixtrans-68.1-35.6-178.8-69.5-24.7000110.5D195 K201D195-D197 VanDerWaalsContact C-N 3.33Å; D195-D197 PolarHBondContact O-N 2.89Å; D195-D197 WeakPolarHBondContact OD1-CB 3.47Å; D195-D197 PolarHBondContact OD1-N 3.43Å; D197-K201 VanDerWaalsContact O-CB 3.31Å; D197-K201 WeakPolarHBondContact O-CB 3.31Å; D197-K201 PolarHBondContact O-N 3.47Å
198Y95.6Very high95Very high11 Ų1142.4 Ų42.44%0.04322%0.224CC..Hα-helixtrans-67-44.8174.9-175.2-109.6000112.5Y143 E144 G145 L194 D195 F196 K201 L202 E233 M237Y143-Y198 AromaticContact CD1-CD1 3.93Å; Y143-Y198 HydrophobicContact CD1-CD1 3.93Å; Y143-Y198 AromaticContact CD1-CE1 3.64Å; Y143-Y198 HydrophobicContact CD1-CE1 3.64Å; Y143-Y198 HydrophobicContact CE1-CD1 4.18Å; Y143-Y198 AromaticContact CE1-CE1 3.46Å; Y143-Y198 HydrophobicContact CE1-CE1 3.46Å; Y143-Y198 VanDerWaalsContact CE1-CE1 3.46Å; Y143-Y198 AromaticContact CE1-CZ 3.86Å; E144-Y198 WeakPolarHBondContact O-CD2 3.31Å; G145-Y198 VanDerWaalsContact CA-CE2 3.47Å; L194-Y198 HydrophobicContact CB-CD1 4.37Å; L194-Y198 HydrophobicContact CD1-CD1 4.33Å; L194-Y198 HydrophobicContact CD2-CD1 4.16Å; L194-Y198 HydrophobicContact CD2-CE1 4.22Å; D195-Y198 WeakPolarHBondContact O-CB 3.4Å; D195-Y198 PolarHBondContact O-N 3.19Å; D195-Y198 VanDerWaalsContact O-N 3.15Å; F196-Y198 VanDerWaalsContact C-N 3.29Å; F196-Y198 PolarHBondContact O-N 2.87Å; Y198-K201 WeakPolarHBondContact O-CB 3.37Å; Y198-K201 PolarHBondContact O-N 2.9Å; Y198-L202 HydrophobicContact CD1-CD1 3.96Å; Y198-L202 HydrophobicContact CE1-CD1 3.51Å; Y198-L202 HydrophobicContact CE1-CG 4.19Å; Y198-L202 PolarHBondContact O-N 3.05Å; Y198-E233 WeakPolarHBondContact CE2-OE2 3.16Å; Y198-E233 VanDerWaalsContact CZ-OE2 3.3Å; Y198-E233 PolarHBondContact OH-OE2 3.05Å; Y198-M237 HydrophobicContact CE1-CB 4.48Å; Y198-M237 HydrophobicContact CE1-CG 4.28Å; Y198-M237 HydrophobicContact CE1-SD 4.5Å
199E96.1Very high95.4Very high23 Ų2337.5 Ų37.511%0.10720%0.198CC..Hα-helixtrans-61.2-45176.2-171.8-176.517400111.7H183 L194 D195 F196 K201 L202 L203 Y245H183-E199 IonicContact CE1-OE1 3.37Å; H183-E199 IonicContact CG-OE1 2.72Å; H183-E199 IonicContact ND1-OE1 3.12Å; H183-E199 PolarHBondContact ND1-OE1 3.17Å; L194-E199 HydrophobicContact CB-CB 4.05Å; L194-E199 HydrophobicContact CD1-CB 4.29Å; L194-E199 HydrophobicContact CD1-CG 4.32Å; D195-E199 PolarHBondContact O-N 3.03Å; F196-E199 PolarHBondContact O-N 3.08Å; E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.48Å; E199-L202 WeakPolarHBondContact O-CB 3.25Å; E199-L202 PolarHBondContact O-N 3.36Å; E199-L203 PolarHBondContact O-N 2.95Å; E199-Y245 PolarHBondContact OE1-OH 3.04Å; E199-Y245 VanDerWaalsContact OE1-OH 3.09Å
200M95.1Very high95.6Very high8 Ų834.7 Ų34.74%0.03917%0.169CC..Hα-helixtrans-66.3-34.6177.6-66.8-54.792.700112.2F196 L203 G204 Y245 M272F196-M200 HydrophobicContact CD1-CG 4.17Å; F196-M200 HydrophobicContact CD2-CG 4.4Å; F196-M200 HydrophobicContact CE1-CG 3.7Å; F196-M200 HydrophobicContact CE2-CE 4.37Å; F196-M200 HydrophobicContact CE2-CG 3.96Å; F196-M200 HydrophobicContact CE2-SD 4.15Å; F196-M200 HydrophobicContact CZ-CG 3.59Å; F196-M200 HydrophobicContact CZ-SD 4.04Å; F196-M200 VanDerWaalsContact O-CG 3.29Å; F196-M200 WeakPolarHBondContact O-CG 3.45Å; F196-M200 PolarHBondContact O-N 2.88Å; M200-L203 HydrophobicContact CE-CD2 4.39Å; M200-L203 PolarHBondContact O-N 3.06Å; M200-L203 HydrophobicContact SD-CD2 4.45Å; M200-G204 PolarHBondContact O-N 3.04Å; M200-Y245 VanDerWaalsContact CE-OH 3.26Å; M200-Y245 WeakPolarHBondContact CE-OH 3.42Å; M200-M272 HydrophobicContact CB-CB 4.34Å; M200-M272 HydrophobicContact CB-CG 4.11Å; M200-M272 HydrophobicContact CB-SD 4.19Å; M200-M272 HydrophobicContact CG-CB 3.91Å; M200-M272 HydrophobicContact CG-CG 4.15Å; M200-M272 HydrophobicContact SD-CB 3.99Å
201K95.2Very high95.5Very high103 Ų10333.6 Ų33.645%0.44817%0.169SC..Hα-helixtrans-61.3-46172.2-176-166.8-178.6-158.60111.4D197 Y198 E199 G204 H205 E233D197-K201 VanDerWaalsContact O-CB 3.31Å; D197-K201 WeakPolarHBondContact O-CB 3.31Å; D197-K201 PolarHBondContact O-N 3.47Å; Y198-K201 WeakPolarHBondContact O-CB 3.37Å; Y198-K201 PolarHBondContact O-N 2.9Å; E199-K201 VanDerWaalsContact C-N 3.32Å; E199-K201 PolarHBondContact O-N 3.48Å; K201-G204 PolarHBondContact O-N 3.32Å; K201-H205 PolarHBondContact O-N 2.93Å; K201-E233 WeakPolarHBondContact CE-OE1 3.36Å; K201-E233 IonicContact NZ-OE1 3.56Å; K201-E233 PolarHBondContact NZ-OE1 3.23Å
202L96.8Very high95.4Very high2 Ų234.8 Ų34.81%0.0119%0.185CC..Hα-helixtrans-59.9-48.5175.7-74.7166.3000111.6L194 Y198 E199 G204 H205 V206 E233 M237 C241L194-L202 HydrophobicContact CD1-CD1 3.77Å; Y198-L202 HydrophobicContact CD1-CD1 3.96Å; Y198-L202 HydrophobicContact CE1-CD1 3.51Å; Y198-L202 HydrophobicContact CE1-CG 4.19Å; Y198-L202 PolarHBondContact O-N 3.05Å; E199-L202 WeakPolarHBondContact O-CB 3.25Å; E199-L202 PolarHBondContact O-N 3.36Å; L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 2.93Å; L202-H205 PolarHBondContact O-N 3.34Å; L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.46Å; L202-E233 HydrophobicContact CD2-CB 3.79Å; L202-E233 HydrophobicContact CD2-CG 3.65Å; L202-M237 HydrophobicContact CD1-CB 4.04Å; L202-M237 HydrophobicContact CD2-CB 4.16Å; L202-C241 HydrophobicContact CB-CB 4.12Å
203L96.8Very high95.4Very high4 Ų438.8 Ų38.82%0.02120%0.204CC..Hα-helixtrans-59.6-41.5177.4-179.361.5000111.4E199 M200 V206 A207 Y245 V265 L269E199-L203 PolarHBondContact O-N 2.95Å; M200-L203 HydrophobicContact CE-CD2 4.39Å; M200-L203 PolarHBondContact O-N 3.06Å; M200-L203 HydrophobicContact SD-CD2 4.45Å; L203-V206 PolarHBondContact O-N 3.05Å; L203-A207 VanDerWaalsContact O-CB 3.31Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.26Å; L203-Y245 HydrophobicContact CB-CE2 4.42Å; L203-Y245 HydrophobicContact CD1-CD1 3.98Å; L203-Y245 HydrophobicContact CD1-CD2 3.88Å; L203-Y245 HydrophobicContact CD1-CE1 4.27Å; L203-Y245 HydrophobicContact CD1-CE2 4.17Å; L203-Y245 HydrophobicContact CD1-CG 3.78Å; L203-Y245 HydrophobicContact CD2-CD1 4.28Å; L203-Y245 HydrophobicContact CD2-CE1 3.78Å; L203-Y245 HydrophobicContact CD2-CE2 4.27Å; L203-V265 HydrophobicContact CD1-CG1 4.37Å; L203-V265 HydrophobicContact CD1-CG2 4.33Å; L203-L269 HydrophobicContact CD2-CD2 4.28Å; L203-L269 HydrophobicContact CD2-CG 4.13Å
204G95.3Very high95.3Very high26 Ų2643.5 Ų43.527%0.26824%0.237SC..Hα-helixtrans-61.2-43.9176.100000113M200 K201 L202 A207 Q208M200-G204 PolarHBondContact O-N 3.04Å; K201-G204 PolarHBondContact O-N 3.32Å; L202-G204 VanDerWaalsContact C-N 3.28Å; L202-G204 PolarHBondContact O-N 2.93Å; G204-A207 PolarHBondContact O-N 3.32Å; G204-Q208 VanDerWaalsContact O-CB 3.31Å; G204-Q208 WeakPolarHBondContact O-CB 3.47Å; G204-Q208 PolarHBondContact O-N 3.39Å
205H96.5Very high95.3Very high35 Ų3545.8 Ų45.816%0.16225%0.245CC..Hα-helixtrans-61.3-44.8174.8-68.6168.1000112.1K201 L202 Q208 L209 L229 E233K201-H205 PolarHBondContact O-N 2.93Å; L202-H205 PolarHBondContact O-N 3.34Å; H205-Q208 PolarHBondContact O-N 3.43Å; H205-L209 WeakPolarHBondContact O-CB 3.5Å; H205-L209 PolarHBondContact O-N 3.06Å; H205-L229 HydrophobicContact CB-CD1 4.4Å; H205-L229 HydrophobicContact CB-CD2 4.01Å; H205-E233 IonicContact CE1-OE1 2.69Å
206V96.8Very high95.3Very high6 Ų647 Ų474%0.03626%0.257CS..Hα-helixtrans-63.5-47.11781720000110.8L202 L203 Q208 L209 V210 L229 L242L202-V206 WeakPolarHBondContact O-CG2 3.42Å; L202-V206 PolarHBondContact O-N 3.46Å; L203-V206 PolarHBondContact O-N 3.05Å; V206-Q208 PolarHBondContact O-N 2.98Å; V206-L209 PolarHBondContact O-N 3.08Å; V206-V210 WeakPolarHBondContact O-CG2 3.42Å; V206-V210 PolarHBondContact O-N 3.26Å; V206-L229 HydrophobicContact CG2-CD1 3.94Å; V206-L242 HydrophobicContact CG1-CD2 3.8Å; V206-L242 HydrophobicContact CG2-CD2 4.48Å
207A95Very high95.3Very high9 Ų946.7 Ų46.77%0.07426%0.256CS..Hα-helixtrans-58.4-47.8177.600000111.7L203 G204 L209 V210 D211 P294L203-A207 VanDerWaalsContact O-CB 3.31Å; L203-A207 WeakPolarHBondContact O-CB 3.37Å; L203-A207 PolarHBondContact O-N 3.26Å; G204-A207 PolarHBondContact O-N 3.32Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.38Å; A207-V210 PolarHBondContact O-N 3.49Å; A207-D211 PolarHBondContact O-N 3.32Å; A207-D211 VanDerWaalsContact O-N 3.1Å; A207-P294 HydrophobicContact CB-CG 3.82Å
208Q95.1Very high95.4Very high136 Ų13645.5 Ų45.564%0.63625%0.25SC*.Hα-helixtrans-61.6-39.6178.7-176.1178-2.200112.3G204 H205 V206 D211 S212G204-Q208 VanDerWaalsContact O-CB 3.31Å; G204-Q208 WeakPolarHBondContact O-CB 3.47Å; G204-Q208 PolarHBondContact O-N 3.39Å; H205-Q208 PolarHBondContact O-N 3.43Å; V206-Q208 PolarHBondContact O-N 2.98Å; Q208-D211 PolarHBondContact O-N 3.03Å; Q208-S212 WeakPolarHBondContact O-CB 3.42Å; Q208-S212 PolarHBondContact O-N 2.94Å; Q208-S212 PolarHBondContact O-OG 3.39Å
209L96.2Very high95.4Very high15 Ų1548.9 Ų48.98%0.07926%0.264CS..Hα-helixtrans-66-41.7177.6-178.764.6000111.8H205 V206 A207 D211 S212 E213 W215 E228 L229H205-L209 WeakPolarHBondContact O-CB 3.5Å; H205-L209 PolarHBondContact O-N 3.06Å; V206-L209 PolarHBondContact O-N 3.08Å; A207-L209 VanDerWaalsContact C-N 3.32Å; A207-L209 PolarHBondContact O-N 3.38Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 3.47Å; L209-S212 WeakPolarHBondContact CA-OG 3.31Å; L209-S212 PolarHBondContact O-N 3.5Å; L209-S212 PolarHBondContact O-OG 2.9Å; L209-S212 VanDerWaalsContact O-OG 3.07Å; L209-E213 HydrophobicContact CD1-CG 3.87Å; L209-E213 WeakPolarHBondContact O-CB 3.39Å; L209-E213 PolarHBondContact O-N 3.29Å; L209-W215 HydrophobicContact CD1-CH2 4.39Å; L209-W215 HydrophobicContact CD2-CH2 3.83Å; L209-W215 HydrophobicContact CD2-CZ3 3.75Å; L209-W215 HydrophobicContact CG-CH2 3.9Å; L209-W215 HydrophobicContact CG-CZ3 3.72Å; L209-E228 HydrophobicContact CD1-CB 4.04Å; L209-E228 HydrophobicContact CD1-CG 4.26Å; L209-E228 HydrophobicContact CD2-CB 4.15Å; L209-L229 HydrophobicContact CD2-CD1 4.18Å; L209-L229 HydrophobicContact CD2-CD2 4.33Å; L209-L229 HydrophobicContact CD2-CG 3.99Å
210V95.9Very high95.5Very high2 Ų247.8 Ų47.81%0.01226%0.259CS..Hα-helixtrans-58.3-45175.9169.40000110.7V206 A207 S214 W215 V220 L260V206-V210 WeakPolarHBondContact O-CG2 3.42Å; V206-V210 PolarHBondContact O-N 3.26Å; A207-V210 PolarHBondContact O-N 3.49Å; V210-S214 PolarHBondContact O-N 2.95Å; V210-W215 HydrophobicContact CG1-CB 4.33Å; V210-W215 HydrophobicContact CG2-CE3 4.2Å; V210-W215 PolarHBondContact O-N 3Å; V210-V220 HydrophobicContact CG2-CG1 4.18Å; V210-V220 HydrophobicContact CG2-CG2 3.76Å; V210-L260 HydrophobicContact CG2-CD1 4.21Å
211D93.7Very high95.5Very high67 Ų6748.4 Ų48.436%0.35826%0.264SS..Hα-helixtrans-68.5-44.9177.9-71.4-27000112A207 Q208 L209 E213 S214 P294 E295A207-D211 PolarHBondContact O-N 3.32Å; A207-D211 VanDerWaalsContact O-N 3.1Å; Q208-D211 PolarHBondContact O-N 3.03Å; L209-D211 VanDerWaalsContact C-N 3.3Å; L209-D211 PolarHBondContact O-N 3.47Å; D211-E213 VanDerWaalsContact C-N 3.32Å; D211-E213 PolarHBondContact O-N 3.21Å; D211-S214 PolarHBondContact O-N 3.34Å; D211-S214 VanDerWaalsContact O-N 3.07Å; D211-P294 VanDerWaalsContact OD1-CA 3.29Å; D211-P294 WeakPolarHBondContact OD1-CA 3.47Å; D211-P294 WeakPolarHBondContact OD1-CB 3.36Å; D211-E295 PolarHBondContact OD1-N 2.59Å
212S94.1Very high95.6Very high75 Ų7544.1 Ų44.152%0.52425%0.246SC..Hα-helixtrans-64-38.1-176.666.20000112.7Q208 L209 S214Q208-S212 WeakPolarHBondContact O-CB 3.42Å; Q208-S212 PolarHBondContact O-N 2.94Å; Q208-S212 PolarHBondContact O-OG 3.39Å; L209-S212 WeakPolarHBondContact CA-OG 3.31Å; L209-S212 PolarHBondContact O-N 3.5Å; L209-S212 PolarHBondContact O-OG 2.9Å; L209-S212 VanDerWaalsContact O-OG 3.07Å; S212-S214 VanDerWaalsContact C-N 3.29Å
213E95.2Very high95.6Very high98 Ų9849.8 Ų49.846%0.45827%0.272SS..THydrogen-bonded Turntrans-87.50.6177.6-64.7-62.513000113L209 D211 W215L209-E213 HydrophobicContact CD1-CG 3.87Å; L209-E213 WeakPolarHBondContact O-CB 3.39Å; L209-E213 PolarHBondContact O-N 3.29Å; D211-E213 VanDerWaalsContact C-N 3.32Å; D211-E213 PolarHBondContact O-N 3.21Å; E213-W215 HydrophobicContact CB-CD2 3.72Å; E213-W215 HydrophobicContact CB-CE3 4.42Å; E213-W215 HydrophobicContact CB-CG 3.92Å; E213-W215 HydrophobicContact CB-CH2 4.48Å; E213-W215 HydrophobicContact CB-CZ2 3.78Å; E213-W215 VanDerWaalsContact CB-NE1 3.3Å; E213-W215 HydrophobicContact CG-CD2 4.46Å; E213-W215 HydrophobicContact CG-CH2 4.2Å; E213-W215 HydrophobicContact CG-CZ2 3.69Å; E213-W215 PolarHBondContact O-N 2.79Å
214S93.7Very high95.6Very high105 Ų10551.8 Ų51.873%0.73428%0.284SS*.THydrogen-bonded Turntrans52.739.1-177.7-55.90000112.6V210 D211 S212V210-S214 PolarHBondContact O-N 2.95Å; D211-S214 PolarHBondContact O-N 3.34Å; D211-S214 VanDerWaalsContact O-N 3.07Å; S212-S214 VanDerWaalsContact C-N 3.29Å
215W95.1Very high95.6Very high53 Ų5350.6 Ų50.620%0.20127%0.272CS..  trans-76.2151.1179.5-68.8-16.9000111.5L209 V210 E213 F217 V220 P221 T224L209-W215 HydrophobicContact CD1-CH2 4.39Å; L209-W215 HydrophobicContact CD2-CH2 3.83Å; L209-W215 HydrophobicContact CD2-CZ3 3.75Å; L209-W215 HydrophobicContact CG-CH2 3.9Å; L209-W215 HydrophobicContact CG-CZ3 3.72Å; V210-W215 HydrophobicContact CG1-CB 4.33Å; V210-W215 HydrophobicContact CG2-CE3 4.2Å; V210-W215 PolarHBondContact O-N 3Å; E213-W215 HydrophobicContact CB-CD2 3.72Å; E213-W215 HydrophobicContact CB-CE3 4.42Å; E213-W215 HydrophobicContact CB-CG 3.92Å; E213-W215 HydrophobicContact CB-CH2 4.48Å; E213-W215 HydrophobicContact CB-CZ2 3.78Å; E213-W215 VanDerWaalsContact CB-NE1 3.3Å; E213-W215 HydrophobicContact CG-CD2 4.46Å; E213-W215 HydrophobicContact CG-CH2 4.2Å; E213-W215 HydrophobicContact CG-CZ2 3.69Å; E213-W215 PolarHBondContact O-N 2.79Å; W215-F217 PolarHBondContact O-N 3.44Å; W215-V220 HydrophobicContact CE3-CG1 3.94Å; W215-V220 HydrophobicContact CZ3-CG1 3.98Å; W215-P221 HydrophobicContact CD2-CG 4.11Å; W215-P221 HydrophobicContact CE3-CG 4.23Å; W215-P221 HydrophobicContact CH2-CG 3.66Å; W215-P221 HydrophobicContact CZ2-CG 3.5Å; W215-P221 HydrophobicContact CZ3-CG 4.02Å; W215-T224 HydrophobicContact CH2-CG2 3.84Å; W215-T224 HydrophobicContact CZ2-CG2 3.72Å
216S95.3Very high95.7Very high65 Ų6550 Ų5046%0.45527%0.27SS..  trans-69.7128.2162177.20000108.7N218 K219S216-N218 PolarHBondContact O-N 2.83Å; S216-N218 PolarHBondContact OG-N 2.85Å; S216-K219 CarbonylContact O-C 3.41Å; S216-K219 VanDerWaalsContact O-C 3.3Å; S216-K219 PolarHBondContact O-N 2.86Å
217F94.7Very high95.7Very high31 Ų3153.9 Ų53.914%0.13629%0.288CS..THydrogen-bonded Turntrans-60.5-15.4174.365.1-99.2000113.1W215 K219 L260 M297W215-F217 PolarHBondContact O-N 3.44Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-L260 HydrophobicContact CB-CB 4.38Å; F217-L260 HydrophobicContact CB-CD1 4.35Å; F217-L260 WeakPolarHBondContact O-CB 3.25Å; F217-L260 PolarHBondContact O-N 3.43Å; F217-M297 HydrophobicContact CB-CE 3.64Å; F217-M297 HydrophobicContact CD1-CE 4.44Å; F217-M297 HydrophobicContact CD1-CG 4.25Å; F217-M297 HydrophobicContact CD2-CE 4.04Å; F217-M297 HydrophobicContact CE1-CG 4.42Å; F217-M297 HydrophobicContact CG-CE 3.81Å; F217-M297 HydrophobicContact CG-CG 4.47Å
218N95.6Very high95.8Very high82 Ų8258.6 Ų58.644%0.43931%0.308SS..THydrogen-bonded Turntrans-83.5-6.6173-65.5-67.2000113.7S216 F249 Y258 A259S216-N218 PolarHBondContact O-N 2.83Å; S216-N218 PolarHBondContact OG-N 2.85Å; N218-F249 WeakPolarHBondContact O-CE1 3.49Å; N218-F249 WeakPolarHBondContact O-CZ 3.49Å; N218-Y258 CarbonylContact C-O 3.51Å; N218-A259 WeakPolarHBondContact O-CB 3.3Å
219K95.7Very high95.9Very high81 Ų8152.7 Ų52.735%0.35228%0.281SS..  trans-147.772.1-176.3-169.6170.8178.7161.80110.7S216 F217 F249 E251 F257S216-K219 CarbonylContact O-C 3.41Å; S216-K219 VanDerWaalsContact O-C 3.3Å; S216-K219 PolarHBondContact O-N 2.86Å; F217-K219 VanDerWaalsContact C-N 3.33Å; K219-F249 HydrophobicContact CG-CZ 4.37Å; K219-E251 WeakPolarHBondContact CE-OE1 3.43Å; K219-E251 IonicContact NZ-OE1 2.73Å; K219-E251 PolarHBondContact NZ-OE1 3.32Å; K219-E251 IonicContact NZ-OE2 2.63Å; K219-E251 PolarHBondContact NZ-OE2 2.97Å; K219-F257 HydrophobicContact CD-CD1 4.37Å; K219-F257 HydrophobicContact CD-CE1 4.36Å; K219-F257 HydrophobicContact CG-CB 4.43Å; K219-F257 HydrophobicContact CG-CD1 3.49Å; K219-F257 VanDerWaalsContact CG-CD1 3.49Å; K219-F257 HydrophobicContact CG-CE1 3.87Å; K219-F257 HydrophobicContact CG-CG 4Å
220V97Very high95.9Very high0 Ų053.7 Ų53.70%029%0.292CS..EExtended strand (participates in β ladder)trans-93.4116.7176.3-177.70000109.7V210 W215 L222 L242 F257 Y258 L260V210-V220 HydrophobicContact CG2-CG1 4.18Å; V210-V220 HydrophobicContact CG2-CG2 3.76Å; W215-V220 HydrophobicContact CE3-CG1 3.94Å; W215-V220 HydrophobicContact CZ3-CG1 3.98Å; V220-L222 PolarHBondContact O-N 2.94Å; V220-L242 HydrophobicContact CG1-CD2 4.34Å; V220-F257 CarbonylContact O-C 3.49Å; V220-F257 VanDerWaalsContact O-CA 3.22Å; V220-F257 WeakPolarHBondContact O-CA 3.47Å; V220-Y258 PolarHBondContact N-O 3.04Å; V220-Y258 PolarHBondContact O-N 2.71Å; V220-L260 HydrophobicContact CG2-CD1 4.02Å; V220-L260 HydrophobicContact CG2-CG 3.94Å
221P96.9Very high95.9Very high21 Ų2158.8 Ų58.814%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-75117.5-176.428.2-33.5000112.6W215 H223 T224 S225 F257W215-P221 HydrophobicContact CD2-CG 4.11Å; W215-P221 HydrophobicContact CE3-CG 4.23Å; W215-P221 HydrophobicContact CH2-CG 3.66Å; W215-P221 HydrophobicContact CZ2-CG 3.5Å; W215-P221 HydrophobicContact CZ3-CG 4.02Å; P221-H223 VanDerWaalsContact C-N 3.35Å; P221-H223 PolarHBondContact O-N 3.01Å; P221-T224 PolarHBondContact O-N 2.65Å; P221-S225 PolarHBondContact O-N 2.97Å; P221-S225 PolarHBondContact O-OG 3.25Å; P221-F257 HydrophobicContact CB-CD1 4.05Å; P221-F257 HydrophobicContact CB-CE1 3.85Å
222L97Very high95.9Very high14 Ų1460.3 Ų60.37%0.07333%0.332CS..Hα-helixtrans-58.5-45.3-177.9175.562.4000112.1V220 T224 S225 L226 E239 L242 V256 Y258V220-L222 PolarHBondContact O-N 2.94Å; L222-T224 PolarHBondContact O-N 3.45Å; L222-S225 PolarHBondContact O-N 3.35Å; L222-L226 HydrophobicContact CD1-CD1 3.85Å; L222-L226 HydrophobicContact CD1-CD2 4.28Å; L222-L226 HydrophobicContact CD1-CG 3.83Å; L222-L226 HydrophobicContact CG-CD1 3.98Å; L222-L226 HydrophobicContact CG-CG 4.31Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.02Å; L222-E239 HydrophobicContact CD1-CB 4.42Å; L222-E239 HydrophobicContact CD1-CG 4.16Å; L222-L242 HydrophobicContact CD1-CD1 3.83Å; L222-V256 HydrophobicContact CB-CB 4.18Å; L222-V256 HydrophobicContact CB-CG1 4.09Å; L222-V256 WeakPolarHBondContact CB-O 3.29Å; L222-V256 HydrophobicContact CD2-CB 4.11Å; L222-V256 HydrophobicContact CD2-CG1 3.76Å; L222-V256 PolarHBondContact N-O 3.23Å; L222-Y258 HydrophobicContact CB-CD2 4.35Å; L222-Y258 HydrophobicContact CB-CE2 4.17Å; L222-Y258 HydrophobicContact CD1-CE2 3.94Å; L222-Y258 HydrophobicContact CD2-CE2 4.26Å; L222-Y258 HydrophobicContact CG-CE2 4.34Å
223H95.7Very high96Very high121 Ų12157.1 Ų57.156%0.5631%0.309SS*.Hα-helixtrans-59.9-51.5-175.6-179.149.6000111.8P221 S225 L226 E227P221-H223 VanDerWaalsContact C-N 3.35Å; P221-H223 PolarHBondContact O-N 3.01Å; H223-S225 PolarHBondContact O-N 2.75Å; H223-L226 PolarHBondContact O-N 2.71Å; H223-E227 VanDerWaalsContact CE1-CD 3.44Å; H223-E227 IonicContact CE1-OE1 2.65Å; H223-E227 PolarHBondContact CE1-OE1 3.28Å; H223-E227 IonicContact ND1-OE1 2.64Å; H223-E227 IonicContact NE2-OE1 3.45Å; H223-E227 PolarHBondContact NE2-OE1 2.63Å; H223-E227 IonicContact NE2-OE2 2.91Å; H223-E227 WeakPolarHBondContact O-CG 3.47Å; H223-E227 PolarHBondContact O-N 3.45Å
224T96.3Very high96Very high45 Ų4554 Ų5428%0.27630%0.297SS..Hα-helixtrans-64.7-40.4178.3-46.90000111.4W215 P221 L222 L226 E227 E228W215-T224 HydrophobicContact CH2-CG2 3.84Å; W215-T224 HydrophobicContact CZ2-CG2 3.72Å; P221-T224 PolarHBondContact O-N 2.65Å; L222-T224 PolarHBondContact O-N 3.45Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.15Å; T224-E227 PolarHBondContact O-N 2.97Å; T224-E227 VanDerWaalsContact O-N 3.17Å; T224-E228 HydrophobicContact CG2-CG 4.11Å; T224-E228 WeakPolarHBondContact O-CG 3.23Å; T224-E228 PolarHBondContact O-N 2.73Å
225S97.2Very high96.1Very high2 Ų254.6 Ų54.61%0.01428%0.283CS..Hα-helixtrans-58.6-42.9174.8-58.90000112.6P221 L222 H223 E227 L229P221-S225 PolarHBondContact O-N 2.97Å; P221-S225 PolarHBondContact O-OG 3.25Å; L222-S225 PolarHBondContact O-N 3.35Å; H223-S225 PolarHBondContact O-N 2.75Å; S225-E227 VanDerWaalsContact C-N 3.34Å; S225-L229 VanDerWaalsContact O-CB 3.25Å; S225-L229 WeakPolarHBondContact O-CB 3.02Å; S225-L229 WeakPolarHBondContact O-CG 3.45Å; S225-L229 PolarHBondContact O-N 2.85Å
226L97.6Very high96.2Very high21 Ų2158.3 Ų58.311%0.1130%0.303CS..Hα-helixtrans-69.9-29.5177.4-67.6179.5000113L222 H223 T224 A230 R235 I238 E239L222-L226 HydrophobicContact CD1-CD1 3.85Å; L222-L226 HydrophobicContact CD1-CD2 4.28Å; L222-L226 HydrophobicContact CD1-CG 3.83Å; L222-L226 HydrophobicContact CG-CD1 3.98Å; L222-L226 HydrophobicContact CG-CG 4.31Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.45Å; L222-L226 PolarHBondContact O-N 3.02Å; H223-L226 PolarHBondContact O-N 2.71Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 3.15Å; L226-A230 WeakPolarHBondContact O-CB 3.41Å; L226-A230 PolarHBondContact O-N 2.59Å; L226-R235 HydrophobicContact CB-CG 4.49Å; L226-R235 HydrophobicContact CD2-CB 3.96Å; L226-R235 HydrophobicContact CD2-CG 4.24Å; L226-R235 WeakPolarHBondContact CD2-O 3.48Å; L226-I238 HydrophobicContact CD2-CB 3.95Å; L226-I238 HydrophobicContact CD2-CG2 3.88Å; L226-E239 HydrophobicContact CD2-CB 4.43Å
227E97Very high96.3Very high89 Ų8955.8 Ų55.842%0.41628%0.284SS..Hα-helixtrans-74.4-48.2177.3-73-174.2154.400111.8H223 T224 S225H223-E227 VanDerWaalsContact CE1-CD 3.44Å; H223-E227 IonicContact CE1-OE1 2.65Å; H223-E227 PolarHBondContact CE1-OE1 3.28Å; H223-E227 IonicContact ND1-OE1 2.64Å; H223-E227 IonicContact NE2-OE1 3.45Å; H223-E227 PolarHBondContact NE2-OE1 2.63Å; H223-E227 IonicContact NE2-OE2 2.91Å; H223-E227 WeakPolarHBondContact O-CG 3.47Å; H223-E227 PolarHBondContact O-N 3.45Å; T224-E227 PolarHBondContact O-N 2.97Å; T224-E227 VanDerWaalsContact O-N 3.17Å; S225-E227 VanDerWaalsContact C-N 3.34Å
228E97.2Very high96.4Very high108 Ų10854.4 Ų54.451%0.50528%0.278SS..Hα-helixtrans-72.7-34.6-176.7-65-57.3140.600112.7L209 T224 P231L209-E228 HydrophobicContact CD1-CB 4.04Å; L209-E228 HydrophobicContact CD1-CG 4.26Å; L209-E228 HydrophobicContact CD2-CB 4.15Å; T224-E228 HydrophobicContact CG2-CG 4.11Å; T224-E228 WeakPolarHBondContact O-CG 3.23Å; T224-E228 PolarHBondContact O-N 2.73Å; E228-P231 WeakPolarHBondContact O-CD 3.44Å
229L97.3Very high96.5Very high11 Ų1153.1 Ų53.16%0.05827%0.269CS..Hα-helixtrans-93.3-16-177.2-59.5-179.3000114.2H205 V206 L209 S225 P231 L232 E233 I238H205-L229 HydrophobicContact CB-CD1 4.4Å; H205-L229 HydrophobicContact CB-CD2 4.01Å; V206-L229 HydrophobicContact CG2-CD1 3.94Å; L209-L229 HydrophobicContact CD2-CD1 4.18Å; L209-L229 HydrophobicContact CD2-CD2 4.33Å; L209-L229 HydrophobicContact CD2-CG 3.99Å; S225-L229 VanDerWaalsContact O-CB 3.25Å; S225-L229 WeakPolarHBondContact O-CB 3.02Å; S225-L229 WeakPolarHBondContact O-CG 3.45Å; S225-L229 PolarHBondContact O-N 2.85Å; L229-P231 VanDerWaalsContact C-N 3.3Å; L229-L232 HydrophobicContact CD2-CD1 4.31Å; L229-L232 WeakPolarHBondContact O-CB 3.22Å; L229-L232 PolarHBondContact O-N 2.69Å; L229-E233 PolarHBondContact O-N 3.05Å; L229-I238 HydrophobicContact CB-CD1 3.45Å; L229-I238 VanDerWaalsContact CB-CD1 3.45Å; L229-I238 HydrophobicContact CB-CG1 3.95Å; L229-I238 HydrophobicContact CB-CG2 4.41Å; L229-I238 HydrophobicContact CD1-CG1 4.46Å; L229-I238 HydrophobicContact CD1-CG2 3.93Å
230A96.3Very high96.6Very high37 Ų3750.5 Ų50.531%0.30626%0.259SS..THydrogen-bonded Turntrans-55.5-31.1178.400000115.7L226 L232 E233 R235L226-A230 WeakPolarHBondContact O-CB 3.41Å; L226-A230 PolarHBondContact O-N 2.59Å; A230-L232 PolarHBondContact O-N 3.45Å; A230-E233 WeakPolarHBondContact CA-O 3.42Å; A230-R235 HydrophobicContact CB-CG 4.17Å
231P95.3Very high96.6Very high108 Ų10850.8 Ų50.870%0.70126%0.26SS*.THydrogen-bonded Turntrans-66.4-21.4172.8-23.335.4000114E228 L229E228-P231 WeakPolarHBondContact O-CD 3.44Å; L229-P231 VanDerWaalsContact C-N 3.3Å
232L94.3Very high96.6Very high100 Ų10049.8 Ų49.852%0.52425%0.254SS..THydrogen-bonded Turntrans-99.1-41-176-57.7178.3000111.9L229 A230L229-L232 HydrophobicContact CD2-CD1 4.31Å; L229-L232 WeakPolarHBondContact O-CB 3.22Å; L229-L232 PolarHBondContact O-N 2.69Å; A230-L232 PolarHBondContact O-N 3.45Å
233E95.8Very high96.6Very high7 Ų752.9 Ų52.93%0.03327%0.27CS..SBendtrans-144.7154.5-169.9-62.8-62.2167.300112.2Y198 K201 L202 H205 L229 A230 I238Y198-E233 WeakPolarHBondContact CE2-OE2 3.16Å; Y198-E233 VanDerWaalsContact CZ-OE2 3.3Å; Y198-E233 PolarHBondContact OH-OE2 3.05Å; K201-E233 WeakPolarHBondContact CE-OE1 3.36Å; K201-E233 IonicContact NZ-OE1 3.56Å; K201-E233 PolarHBondContact NZ-OE1 3.23Å; L202-E233 HydrophobicContact CD2-CB 3.79Å; L202-E233 HydrophobicContact CD2-CG 3.65Å; H205-E233 IonicContact CE1-OE1 2.69Å; L229-E233 PolarHBondContact O-N 3.05Å; A230-E233 WeakPolarHBondContact CA-O 3.42Å; E233-I238 HydrophobicContact CB-CD1 4.18Å; E233-I238 HydrophobicContact CB-CG1 4.03Å; E233-I238 WeakPolarHBondContact O-CD1 3.47Å
234P95.3Very high96.6Very high33 Ų3348.2 Ų48.221%0.21425%0.251CS..  trans-60142.4175.1-21.232.9000112.2P146 E236 M237 I238P146-P234 HydrophobicContact CG-CG 3.53Å; P234-E236 PolarHBondContact O-N 3.12Å; P234-M237 HydrophobicContact CB-CB 4.41Å; P234-M237 HydrophobicContact CB-CG 4.05Å; P234-M237 HydrophobicContact CG-CG 4.11Å; P234-M237 PolarHBondContact O-N 2.93Å; P234-I238 WeakPolarHBondContact O-CG1 3.2Å; P234-I238 PolarHBondContact O-N 3.39Å; P234-I238 VanDerWaalsContact O-N 3.08Å
235R96.5Very high96.7Very high118 Ų11846.6 Ų46.645%0.44524%0.24SC..Hα-helixtrans-58.8-38.5-178.2-72.6-176172-148.3-6.1112.1L226 A230 M237 I238 E239L226-R235 HydrophobicContact CB-CG 4.49Å; L226-R235 HydrophobicContact CD2-CB 3.96Å; L226-R235 HydrophobicContact CD2-CG 4.24Å; L226-R235 WeakPolarHBondContact CD2-O 3.48Å; A230-R235 HydrophobicContact CB-CG 4.17Å; R235-M237 VanDerWaalsContact C-N 3.3Å; R235-M237 PolarHBondContact O-N 3.22Å; R235-I238 PolarHBondContact O-N 2.69Å; R235-E239 WeakPolarHBondContact O-CB 3.41Å; R235-E239 PolarHBondContact O-N 3.09Å
236E95.8Very high96.6Very high130 Ų13046.8 Ų46.861%0.60724%0.242SC*.Hα-helixtrans-62.1-38.6178.2-59.376.7-169.700111.2P234 H240P234-E236 PolarHBondContact O-N 3.12Å; E236-H240 WeakPolarHBondContact O-CB 3.48Å; E236-H240 PolarHBondContact O-N 2.72Å
237M97Very high96.6Very high13 Ų1352.5 Ų52.56%0.06427%0.266CS..Hα-helixtrans-76.2-34.9180-61.9-59.299.100111.9Y143 I187 L194 Y198 L202 P234 R235 C241Y143-M237 HydrophobicContact CD1-SD 4.05Å; Y143-M237 HydrophobicContact CE1-CG 3.92Å; Y143-M237 HydrophobicContact CE1-SD 3.69Å; I187-M237 HydrophobicContact CD1-CE 4.14Å; I187-M237 HydrophobicContact CD1-SD 4.19Å; I187-M237 HydrophobicContact CG1-CE 4.27Å; L194-M237 HydrophobicContact CD2-SD 3.8Å; Y198-M237 HydrophobicContact CE1-CB 4.48Å; Y198-M237 HydrophobicContact CE1-CG 4.28Å; Y198-M237 HydrophobicContact CE1-SD 4.5Å; L202-M237 HydrophobicContact CD1-CB 4.04Å; L202-M237 HydrophobicContact CD2-CB 4.16Å; P234-M237 HydrophobicContact CB-CB 4.41Å; P234-M237 HydrophobicContact CB-CG 4.05Å; P234-M237 HydrophobicContact CG-CG 4.11Å; P234-M237 PolarHBondContact O-N 2.93Å; R235-M237 VanDerWaalsContact C-N 3.3Å; R235-M237 PolarHBondContact O-N 3.22Å; M237-C241 WeakPolarHBondContact O-CB 3.32Å; M237-C241 PolarHBondContact O-N 2.65Å
238I97.6Very high96.6Very high1 Ų153.7 Ų53.71%0.00527%0.267CS..Hα-helixtrans-64.4-48.7172.8-63.2154000110.2L226 L229 E233 P234 R235 C241 L242L226-I238 HydrophobicContact CD2-CB 3.95Å; L226-I238 HydrophobicContact CD2-CG2 3.88Å; L229-I238 HydrophobicContact CB-CD1 3.45Å; L229-I238 VanDerWaalsContact CB-CD1 3.45Å; L229-I238 HydrophobicContact CB-CG1 3.95Å; L229-I238 HydrophobicContact CB-CG2 4.41Å; L229-I238 HydrophobicContact CD1-CG1 4.46Å; L229-I238 HydrophobicContact CD1-CG2 3.93Å; E233-I238 HydrophobicContact CB-CD1 4.18Å; E233-I238 HydrophobicContact CB-CG1 4.03Å; E233-I238 WeakPolarHBondContact O-CD1 3.47Å; P234-I238 WeakPolarHBondContact O-CG1 3.2Å; P234-I238 PolarHBondContact O-N 3.39Å; P234-I238 VanDerWaalsContact O-N 3.08Å; R235-I238 PolarHBondContact O-N 2.69Å; I238-C241 WeakPolarHBondContact O-CB 3.46Å; I238-C241 PolarHBondContact O-N 2.98Å; I238-L242 HydrophobicContact CG2-CD1 4.48Å; I238-L242 WeakPolarHBondContact O-CG 2.84Å; I238-L242 PolarHBondContact O-N 2.76Å
239E97.3Very high96.6Very high55 Ų5551.8 Ų51.826%0.25726%0.257SS..Hα-helixtrans-64.8-39.7177.9-173.1169-164.200111.7L222 L226 R235 L242 N243 R248L222-E239 HydrophobicContact CD1-CB 4.42Å; L222-E239 HydrophobicContact CD1-CG 4.16Å; L226-E239 HydrophobicContact CD2-CB 4.43Å; R235-E239 WeakPolarHBondContact O-CB 3.41Å; R235-E239 PolarHBondContact O-N 3.09Å; E239-L242 PolarHBondContact O-N 2.81Å; E239-N243 VanDerWaalsContact O-CG 3.29Å; E239-N243 PolarHBondContact O-N 3.33Å; E239-N243 PolarHBondContact O-ND2 2.84Å; E239-R248 IonicContact OE1-CZ 2.75Å; E239-R248 IonicContact OE1-NH1 2.65Å; E239-R248 PolarHBondContact OE1-NH1 3Å; E239-R248 IonicContact OE1-NH2 2.71Å; E239-R248 PolarHBondContact OE1-NH2 3.25Å
240H97.3Very high96.4Very high27 Ų2754.6 Ų54.613%0.12528%0.282CS..Hα-helixtrans-59-48172.7-177.161.5000112H183 C185 E236 L242 N243 C244H183-H240 PolarHBondContact O-CE1 3.36Å; H183-H240 PolarHBondContact O-NE2 2.99Å; C185-H240 VanDerWaalsContact CB-CE1 3.47Å; C185-H240 WeakPolarHBondContact CB-CE1 3.17Å; E236-H240 WeakPolarHBondContact O-CB 3.48Å; E236-H240 PolarHBondContact O-N 2.72Å; H240-L242 VanDerWaalsContact C-N 3.31Å; H240-L242 PolarHBondContact O-N 2.99Å; H240-N243 WeakPolarHBondContact O-CB 3.48Å; H240-N243 PolarHBondContact O-N 3.48Å; H240-C244 PolarHBondContact CE1-SG 2.97Å; H240-C244 PolarHBondContact NE2-SG 3.38Å; H240-C244 PolarHBondContact O-N 3.01Å; H240-C244 PolarHBondContact O-SG 2.83Å; H240-C244 VanDerWaalsContact O-SG 3.34Å
241C97.8Very high96.1Very high5 Ų556.9 Ų56.93%0.03429%0.286CS..Hα-helixtrans-56.3-45.6175.4-176.60000111.5L202 M237 I238 N243 C244 Y245L202-C241 HydrophobicContact CB-CB 4.12Å; M237-C241 WeakPolarHBondContact O-CB 3.32Å; M237-C241 PolarHBondContact O-N 2.65Å; I238-C241 WeakPolarHBondContact O-CB 3.46Å; I238-C241 PolarHBondContact O-N 2.98Å; C241-N243 VanDerWaalsContact C-N 3.31Å; C241-N243 PolarHBondContact O-N 3Å; C241-C244 PolarHBondContact O-N 2.97Å; C241-Y245 WeakPolarHBondContact O-CD2 3.21Å; C241-Y245 PolarHBondContact O-N 2.87Å
242L97.4Very high95.1Very high1 Ų158.5 Ų58.51%0.00530%0.3CS..Hα-helixtrans-62-36.5175.8-71.3171.2000112.8V206 V220 L222 I238 E239 H240 G246 Y258 L260V206-L242 HydrophobicContact CG1-CD2 3.8Å; V206-L242 HydrophobicContact CG2-CD2 4.48Å; V220-L242 HydrophobicContact CG1-CD2 4.34Å; L222-L242 HydrophobicContact CD1-CD1 3.83Å; I238-L242 HydrophobicContact CG2-CD1 4.48Å; I238-L242 WeakPolarHBondContact O-CG 2.84Å; I238-L242 PolarHBondContact O-N 2.76Å; E239-L242 PolarHBondContact O-N 2.81Å; H240-L242 VanDerWaalsContact C-N 3.31Å; H240-L242 PolarHBondContact O-N 2.99Å; L242-G246 CarbonylContact O-C 3.55Å; L242-G246 VanDerWaalsContact O-CA 3.3Å; L242-G246 WeakPolarHBondContact O-CA 3.34Å; L242-G246 PolarHBondContact O-N 2.82Å; L242-Y258 HydrophobicContact CB-CD1 3.78Å; L242-Y258 HydrophobicContact CB-CD2 4.08Å; L242-Y258 HydrophobicContact CB-CE1 3.79Å; L242-Y258 HydrophobicContact CB-CE2 4.12Å; L242-Y258 HydrophobicContact CB-CG 3.92Å; L242-Y258 HydrophobicContact CD1-CD2 4.06Å; L242-Y258 HydrophobicContact CD1-CE2 4.26Å; L242-Y258 HydrophobicContact CD2-CG 4.41Å; L242-Y258 VanDerWaalsContact O-CD1 3.23Å; L242-Y258 WeakPolarHBondContact O-CD1 3.43Å; L242-Y258 WeakPolarHBondContact O-CE1 3.2Å; L242-L260 HydrophobicContact CD2-CD2 4.06Å
243N96.6Very high94.3Very high78 Ų7857.8 Ų57.842%0.41731%0.309SS..Hα-helixtrans-68.2-37174.8-69.8-41000112.7E239 H240 C241 Y258E239-N243 VanDerWaalsContact O-CG 3.29Å; E239-N243 PolarHBondContact O-N 3.33Å; E239-N243 PolarHBondContact O-ND2 2.84Å; H240-N243 WeakPolarHBondContact O-CB 3.48Å; H240-N243 PolarHBondContact O-N 3.48Å; C241-N243 VanDerWaalsContact C-N 3.31Å; C241-N243 PolarHBondContact O-N 3Å; N243-Y258 VanDerWaalsContact OD1-CE1 3.25Å; N243-Y258 WeakPolarHBondContact OD1-CE1 3.45Å; N243-Y258 PolarHBondContact OD1-OH 3.49Å
244C96.3Very high93.7Very high23 Ų2360.2 Ų60.216%0.15534%0.336CS..Hα-helixtrans-70.6-38.9177.8-67.60000112.3H240 C241H240-C244 PolarHBondContact CE1-SG 2.97Å; H240-C244 PolarHBondContact NE2-SG 3.38Å; H240-C244 PolarHBondContact O-N 3.01Å; H240-C244 PolarHBondContact O-SG 2.83Å; H240-C244 VanDerWaalsContact O-SG 3.34Å; C241-C244 PolarHBondContact O-N 2.97Å
245Y97.1Very high93.5Very high12 Ų1264.1 Ų64.15%0.04735%0.351CS..Hα-helixtrans-103.73-173.5-70.4-80.4000114.3E199 M200 L203 C241 L260 H261 S264 V265E199-Y245 PolarHBondContact OE1-OH 3.04Å; E199-Y245 VanDerWaalsContact OE1-OH 3.09Å; M200-Y245 VanDerWaalsContact CE-OH 3.26Å; M200-Y245 WeakPolarHBondContact CE-OH 3.42Å; L203-Y245 HydrophobicContact CB-CE2 4.42Å; L203-Y245 HydrophobicContact CD1-CD1 3.98Å; L203-Y245 HydrophobicContact CD1-CD2 3.88Å; L203-Y245 HydrophobicContact CD1-CE1 4.27Å; L203-Y245 HydrophobicContact CD1-CE2 4.17Å; L203-Y245 HydrophobicContact CD1-CG 3.78Å; L203-Y245 HydrophobicContact CD2-CD1 4.28Å; L203-Y245 HydrophobicContact CD2-CE1 3.78Å; L203-Y245 HydrophobicContact CD2-CE2 4.27Å; C241-Y245 WeakPolarHBondContact O-CD2 3.21Å; C241-Y245 PolarHBondContact O-N 2.87Å; Y245-L260 CarbonylContact O-C 3.57Å; Y245-L260 WeakPolarHBondContact O-CA 3.43Å; Y245-H261 PolarHBondContact O-N 2.85Å; Y245-S264 WeakPolarHBondContact CE1-O 3.49Å; Y245-V265 HydrophobicContact CD1-CG2 4.11Å; Y245-V265 HydrophobicContact CG-CG2 4.45Å
246G96.8Very high93.5Very high5 Ų560.3 Ų60.35%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-159166.9-175.700000114.5L242 A259 H261L242-G246 CarbonylContact O-C 3.55Å; L242-G246 VanDerWaalsContact O-CA 3.3Å; L242-G246 WeakPolarHBondContact O-CA 3.34Å; L242-G246 PolarHBondContact O-N 2.82Å; G246-A259 CarbonylContact C-O 3.57Å; G246-A259 WeakPolarHBondContact CA-O 3.3Å; G246-H261 VanDerWaalsContact CA-CD2 3.49Å; G246-H261 WeakPolarHBondContact CA-CD2 3.14Å
247K97.1Very high93.6Very high142 Ų14254.8 Ų54.862%0.61732%0.315SS*.EExtended strand (participates in β ladder)trans-101.6119177.4-175.7175.9-178.7177.90110.3Y258 A259K247-Y258 WeakPolarHBondContact O-CA 3.41Å; K247-A259 PolarHBondContact N-O 2.89Å; K247-A259 PolarHBondContact O-N 2.75Å
248R96.8Very high93.6Very high114 Ų11454.2 Ų54.243%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-65.8136172.6-166.4-171.6-170.4111.7-6.3111.2E239 V256 F257 Y258E239-R248 IonicContact OE1-CZ 2.75Å; E239-R248 IonicContact OE1-NH1 2.65Å; E239-R248 PolarHBondContact OE1-NH1 3Å; E239-R248 IonicContact OE1-NH2 2.71Å; E239-R248 PolarHBondContact OE1-NH2 3.25Å; R248-V256 HydrophobicContact CG-CG1 3.7Å; R248-F257 WeakPolarHBondContact CA-O 3.26Å; R248-Y258 HydrophobicContact CB-CD1 4.28Å; R248-Y258 HydrophobicContact CB-CE1 3.7Å; R248-Y258 HydrophobicContact CB-CE2 4.4Å; R248-Y258 HydrophobicContact CG-CE1 4.25Å; R248-Y258 HydrophobicContact CG-CE2 4.06Å; R248-Y258 PolarHBondContact NH1-OH 3.17Å
249F96.3Very high93.6Very high67 Ų6755.2 Ų55.229%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-146.5161.2168.265.9-84.7000110.9N218 K219 E251 F257 A259N218-F249 WeakPolarHBondContact O-CE1 3.49Å; N218-F249 WeakPolarHBondContact O-CZ 3.49Å; K219-F249 HydrophobicContact CG-CZ 4.37Å; F249-E251 HydrophobicContact CE2-CG 4.34Å; F249-F257 HydrophobicContact CD1-CB 4.25Å; F249-F257 HydrophobicContact CD2-CB 4.19Å; F249-F257 HydrophobicContact CE1-CB 3.71Å; F249-F257 HydrophobicContact CE2-CB 3.65Å; F249-F257 HydrophobicContact CE2-CD2 4.22Å; F249-F257 HydrophobicContact CE2-CG 4.2Å; F249-F257 HydrophobicContact CG-CB 4.47Å; F249-F257 HydrophobicContact CZ-CB 3.39Å; F249-F257 HydrophobicContact CZ-CG 4.21Å; F249-F257 PolarHBondContact N-O 3.19Å; F249-F257 PolarHBondContact O-N 2.95Å; F249-F257 VanDerWaalsContact O-O 3.09Å; F249-A259 HydrophobicContact CD1-CB 4.3Å; F249-A259 HydrophobicContact CE1-CB 3.87Å
250A93.8Very high93.6Very high71 Ų7153 Ų5359%0.58731%0.311SS*.EExtended strand (participates in β ladder)trans-122.4140.8176.900000110.1E255A250-E255 WeakPolarHBondContact CA-O 3.41Å
251E89.9Confident93.6Very high85 Ų8555.7 Ų55.740%0.39732%0.323SS..  trans-95.2169.7171.4-76.6-172.2171.400111.4K219 F249 A253 G254 E255 F257K219-E251 WeakPolarHBondContact CE-OE1 3.43Å; K219-E251 IonicContact NZ-OE1 2.73Å; K219-E251 PolarHBondContact NZ-OE1 3.32Å; K219-E251 IonicContact NZ-OE2 2.63Å; K219-E251 PolarHBondContact NZ-OE2 2.97Å; F249-E251 HydrophobicContact CE2-CG 4.34Å; E251-A253 PolarHBondContact O-N 3.29Å; E251-G254 PolarHBondContact O-N 2.86Å; E251-E255 PolarHBondContact N-O 3Å; E251-E255 VanDerWaalsContact N-O 3.07Å; E251-F257 HydrophobicContact CB-CE2 4.3Å; E251-F257 HydrophobicContact CG-CD2 4.28Å; E251-F257 HydrophobicContact CG-CE2 4.26Å
252S75.3Confident93.6Very high141 Ų14157.6 Ų57.699%0.98633%0.331SS*.THydrogen-bonded Turntrans-51.6-18.9-172.1-33.90000115.6
253A76.3Confident93.6Very high86 Ų8661.8 Ų61.871%0.71135%0.354SS*.THydrogen-bonded Turntrans-93.50.6179.500000114.1E251 E255E251-A253 PolarHBondContact O-N 3.29Å; A253-E255 PolarHBondContact O-N 3.44Å
254G83.3Confident93.5Very high58 Ų5860.3 Ų60.360%0.59835%0.349SS*.SBendtrans80.91.2-175.500000114.3E251E251-G254 PolarHBondContact O-N 2.86Å
255E91.6Very high93.5Very high115 Ų11559.2 Ų59.254%0.53734%0.342SS..  trans-68.8133.7171.8-72.5179.9-173.400110.7A250 E251 A253 F257A250-E255 WeakPolarHBondContact CA-O 3.41Å; E251-E255 PolarHBondContact N-O 3Å; E251-E255 VanDerWaalsContact N-O 3.07Å; A253-E255 PolarHBondContact O-N 3.44Å; E255-F257 HydrophobicContact CB-CD2 4.42Å; E255-F257 HydrophobicContact CB-CE2 3.58Å; E255-F257 HydrophobicContact CB-CZ 4.04Å; E255-F257 WeakPolarHBondContact OE2-CZ 3.31Å
256V96.4Very high93.6Very high38 Ų3858.7 Ų58.723%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-101.2130.4-177.2-179.80000109.7L222 R248 Y258L222-V256 HydrophobicContact CB-CB 4.18Å; L222-V256 HydrophobicContact CB-CG1 4.09Å; L222-V256 WeakPolarHBondContact CB-O 3.29Å; L222-V256 HydrophobicContact CD2-CB 4.11Å; L222-V256 HydrophobicContact CD2-CG1 3.76Å; L222-V256 PolarHBondContact N-O 3.23Å; R248-V256 HydrophobicContact CG-CG1 3.7Å; V256-Y258 HydrophobicContact CG1-CE2 4.37Å
257F97.3Very high93.6Very high14 Ų1462 Ų626%0.06135%0.351CS..EExtended strand (participates in β ladder)trans-127.1161.5178.4-62.6-88.6000111K219 V220 P221 R248 F249 E251 E255K219-F257 HydrophobicContact CD-CD1 4.37Å; K219-F257 HydrophobicContact CD-CE1 4.36Å; K219-F257 HydrophobicContact CG-CB 4.43Å; K219-F257 HydrophobicContact CG-CD1 3.49Å; K219-F257 VanDerWaalsContact CG-CD1 3.49Å; K219-F257 HydrophobicContact CG-CE1 3.87Å; K219-F257 HydrophobicContact CG-CG 4Å; V220-F257 CarbonylContact O-C 3.49Å; V220-F257 VanDerWaalsContact O-CA 3.22Å; V220-F257 WeakPolarHBondContact O-CA 3.47Å; P221-F257 HydrophobicContact CB-CD1 4.05Å; P221-F257 HydrophobicContact CB-CE1 3.85Å; R248-F257 WeakPolarHBondContact CA-O 3.26Å; F249-F257 HydrophobicContact CD1-CB 4.25Å; F249-F257 HydrophobicContact CD2-CB 4.19Å; F249-F257 HydrophobicContact CE1-CB 3.71Å; F249-F257 HydrophobicContact CE2-CB 3.65Å; F249-F257 HydrophobicContact CE2-CD2 4.22Å; F249-F257 HydrophobicContact CE2-CG 4.2Å; F249-F257 HydrophobicContact CG-CB 4.47Å; F249-F257 HydrophobicContact CZ-CB 3.39Å; F249-F257 HydrophobicContact CZ-CG 4.21Å; F249-F257 PolarHBondContact N-O 3.19Å; F249-F257 PolarHBondContact O-N 2.95Å; F249-F257 VanDerWaalsContact O-O 3.09Å; E251-F257 HydrophobicContact CB-CE2 4.3Å; E251-F257 HydrophobicContact CG-CD2 4.28Å; E251-F257 HydrophobicContact CG-CE2 4.26Å; E255-F257 HydrophobicContact CB-CD2 4.42Å; E255-F257 HydrophobicContact CB-CE2 3.58Å; E255-F257 HydrophobicContact CB-CZ 4.04Å; E255-F257 WeakPolarHBondContact OE2-CZ 3.31Å
258Y97.9Very high93.5Very high0 Ų055.3 Ų55.30%032%0.322CS..EExtended strand (participates in β ladder)trans-118.3136.4169.9-77.9-98.7000110.6N218 V220 L222 L242 N243 K247 R248 V256N218-Y258 CarbonylContact C-O 3.51Å; V220-Y258 PolarHBondContact N-O 3.04Å; V220-Y258 PolarHBondContact O-N 2.71Å; L222-Y258 HydrophobicContact CB-CD2 4.35Å; L222-Y258 HydrophobicContact CB-CE2 4.17Å; L222-Y258 HydrophobicContact CD1-CE2 3.94Å; L222-Y258 HydrophobicContact CD2-CE2 4.26Å; L222-Y258 HydrophobicContact CG-CE2 4.34Å; L242-Y258 HydrophobicContact CB-CD1 3.78Å; L242-Y258 HydrophobicContact CB-CD2 4.08Å; L242-Y258 HydrophobicContact CB-CE1 3.79Å; L242-Y258 HydrophobicContact CB-CE2 4.12Å; L242-Y258 HydrophobicContact CB-CG 3.92Å; L242-Y258 HydrophobicContact CD1-CD2 4.06Å; L242-Y258 HydrophobicContact CD1-CE2 4.26Å; L242-Y258 HydrophobicContact CD2-CG 4.41Å; L242-Y258 VanDerWaalsContact O-CD1 3.23Å; L242-Y258 WeakPolarHBondContact O-CD1 3.43Å; L242-Y258 WeakPolarHBondContact O-CE1 3.2Å; N243-Y258 VanDerWaalsContact OD1-CE1 3.25Å; N243-Y258 WeakPolarHBondContact OD1-CE1 3.45Å; N243-Y258 PolarHBondContact OD1-OH 3.49Å; K247-Y258 WeakPolarHBondContact O-CA 3.41Å; R248-Y258 HydrophobicContact CB-CD1 4.28Å; R248-Y258 HydrophobicContact CB-CE1 3.7Å; R248-Y258 HydrophobicContact CB-CE2 4.4Å; R248-Y258 HydrophobicContact CG-CE1 4.25Å; R248-Y258 HydrophobicContact CG-CE2 4.06Å; R248-Y258 PolarHBondContact NH1-OH 3.17Å; V256-Y258 HydrophobicContact CG1-CE2 4.37Å
259A97.8Very high93.4Very high23 Ų2350.2 Ų50.219%0.1930%0.304CS..EExtended strand (participates in β ladder)trans-99.8106.4164.200000107.9N218 G246 K247 F249N218-A259 WeakPolarHBondContact O-CB 3.3Å; G246-A259 CarbonylContact C-O 3.57Å; G246-A259 WeakPolarHBondContact CA-O 3.3Å; K247-A259 PolarHBondContact N-O 2.89Å; K247-A259 PolarHBondContact O-N 2.75Å; F249-A259 HydrophobicContact CD1-CB 4.3Å; F249-A259 HydrophobicContact CE1-CB 3.87Å
260L97.8Very high93.4Very high9 Ų947 Ų475%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-65.8138.9-179.7-59.3-177000110.8V210 F217 V220 L242 Y245 E262 V265 M297V210-L260 HydrophobicContact CG2-CD1 4.21Å; F217-L260 HydrophobicContact CB-CB 4.38Å; F217-L260 HydrophobicContact CB-CD1 4.35Å; F217-L260 WeakPolarHBondContact O-CB 3.25Å; F217-L260 PolarHBondContact O-N 3.43Å; V220-L260 HydrophobicContact CG2-CD1 4.02Å; V220-L260 HydrophobicContact CG2-CG 3.94Å; L242-L260 HydrophobicContact CD2-CD2 4.06Å; Y245-L260 CarbonylContact O-C 3.57Å; Y245-L260 WeakPolarHBondContact O-CA 3.43Å; L260-E262 PolarHBondContact O-N 3.11Å; L260-V265 HydrophobicContact CB-CG2 4.27Å; L260-M297 HydrophobicContact CB-CE 4.12Å; L260-M297 HydrophobicContact CD1-CE 4.34Å
261H97.3Very high93.4Very high82 Ų8245 Ų4538%0.3827%0.269SS..  trans-81.5102.2175.5-65-49.7000109.3Y245 G246 D263 S264 V265Y245-H261 PolarHBondContact O-N 2.85Å; G246-H261 VanDerWaalsContact CA-CD2 3.49Å; G246-H261 WeakPolarHBondContact CA-CD2 3.14Å; H261-D263 VanDerWaalsContact C-N 3.28Å; H261-D263 PolarHBondContact O-N 2.83Å; H261-S264 PolarHBondContact O-N 3.02Å; H261-V265 WeakPolarHBondContact O-CG2 3.25Å; H261-V265 PolarHBondContact O-N 3.49Å
262E96.7Very high93.6Very high45 Ų4544.3 Ų44.321%0.2127%0.267CS..Hα-helixtrans-46.6-50.5179.7-176.1-175164.500111.8L260 S264 V265 C266 M297 S298 R300L260-E262 PolarHBondContact O-N 3.11Å; E262-S264 VanDerWaalsContact C-N 3.35Å; E262-S264 PolarHBondContact O-N 3.39Å; E262-V265 PolarHBondContact O-N 2.92Å; E262-C266 VanDerWaalsContact O-CB 3.22Å; E262-C266 WeakPolarHBondContact O-CB 3.35Å; E262-C266 PolarHBondContact O-N 3.48Å; E262-C266 PolarHBondContact O-SG 2.88Å; E262-M297 HydrophobicContact CG-CB 4.05Å; E262-M297 HydrophobicContact CG-CG 4.04Å; E262-M297 HydrophobicContact CG-SD 4.36Å; E262-S298 PolarHBondContact OE1-N 3.45Å; E262-R300 IonicContact OE1-NH2 3.86Å; E262-R300 PolarHBondContact OE1-NH2 2.87Å; E262-R300 VanDerWaalsContact OE1-NH2 3.11Å; E262-R300 IonicContact OE2-NH2 2.6Å
263D96.6Very high94.5Very high90 Ų9039.4 Ų39.448%0.48123%0.229SC..Hα-helixtrans-63.1-38.6-178.8-70.8-9.7000112.9H261 R267 Q303H261-D263 VanDerWaalsContact C-N 3.28Å; H261-D263 PolarHBondContact O-N 2.83Å; D263-R267 WeakPolarHBondContact O-CB 3.31Å; D263-R267 PolarHBondContact O-N 3.34Å; D263-Q303 HydrophobicContact CB-CG 4.3Å; D263-Q303 WeakPolarHBondContact OD1-CG 3.28Å; D263-Q303 PolarHBondContact OD1-NE2 3Å
264S95.8Very high95.3Very high46 Ų4635.3 Ų35.332%0.32220%0.195SC..Hα-helixtrans-70.8-43.8179.2-56.90000111.5Y245 H261 E262 R267 G268Y245-S264 WeakPolarHBondContact CE1-O 3.49Å; H261-S264 PolarHBondContact O-N 3.02Å; E262-S264 VanDerWaalsContact C-N 3.35Å; E262-S264 PolarHBondContact O-N 3.39Å; S264-R267 PolarHBondContact O-N 3.29Å; S264-G268 PolarHBondContact O-N 3.38Å
265V96.9Very high95.6Very high1 Ų135.8 Ų35.81%0.00618%0.182CC..Hα-helixtrans-65.4-49.4178.2174.40000110.4L203 Y245 L260 H261 E262 R267 G268 L269 M297L203-V265 HydrophobicContact CD1-CG1 4.37Å; L203-V265 HydrophobicContact CD1-CG2 4.33Å; Y245-V265 HydrophobicContact CD1-CG2 4.11Å; Y245-V265 HydrophobicContact CG-CG2 4.45Å; L260-V265 HydrophobicContact CB-CG2 4.27Å; H261-V265 WeakPolarHBondContact O-CG2 3.25Å; H261-V265 PolarHBondContact O-N 3.49Å; E262-V265 PolarHBondContact O-N 2.92Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.93Å; V265-G268 PolarHBondContact O-N 3.03Å; V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 WeakPolarHBondContact O-CG 3.31Å; V265-L269 PolarHBondContact O-N 3.29Å; V265-M297 HydrophobicContact CB-CE 4.12Å; V265-M297 HydrophobicContact CB-SD 3.88Å; V265-M297 HydrophobicContact CG1-CE 4.08Å; V265-M297 HydrophobicContact CG1-SD 3.7Å; V265-M297 HydrophobicContact CG2-CE 4.19Å
266C97.3Very high95.2Very high0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-56.9-43.8175.2-73.20000111.1E262 A270 W289 V293E262-C266 VanDerWaalsContact O-CB 3.22Å; E262-C266 WeakPolarHBondContact O-CB 3.35Å; E262-C266 PolarHBondContact O-N 3.48Å; E262-C266 PolarHBondContact O-SG 2.88Å; C266-A270 WeakPolarHBondContact O-CB 3.31Å; C266-A270 PolarHBondContact O-N 3.25Å; C266-W289 HydrophobicContact CB-CZ2 3.96Å; C266-W289 PolarHBondContact O-NE1 3.44Å; C266-V293 HydrophobicContact CB-CG1 4.44Å
267R96.7Very high94.7Very high75 Ų7537.2 Ų37.228%0.28320%0.196SC..Hα-helixtrans-62.5-47.5176.1177.8179.5-70.3-117.9-1.5112.1D263 S264 V265 L269 A270 L271 Q303 K305 V307D263-R267 WeakPolarHBondContact O-CB 3.31Å; D263-R267 PolarHBondContact O-N 3.34Å; S264-R267 PolarHBondContact O-N 3.29Å; V265-R267 VanDerWaalsContact C-N 3.29Å; V265-R267 PolarHBondContact O-N 2.93Å; R267-L269 PolarHBondContact O-N 3.07Å; R267-A270 WeakPolarHBondContact O-CB 3.38Å; R267-A270 PolarHBondContact O-N 3.04Å; R267-L271 HydrophobicContact CG-CD1 4.17Å; R267-L271 HydrophobicContact CG-CG 4.44Å; R267-L271 VanDerWaalsContact O-CG 3.3Å; R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 3.44Å; R267-Q303 PolarHBondContact NE-O 2.71Å; R267-Q303 PolarHBondContact NH2-O 3.25Å; R267-K305 PolarHBondContact NH1-O 3.07Å; R267-K305 PolarHBondContact NH2-O 3.46Å; R267-V307 HydrophobicContact CG-CG2 4.2Å; R267-V307 VanDerWaalsContact NH1-CG2 3.34Å
268G95.4Very high94.2Very high2 Ų243 Ų432%0.02123%0.232CC..Hα-helixtrans-56.6-50.6178.900000111.9S264 V265 A270 L271 M272S264-G268 PolarHBondContact O-N 3.38Å; V265-G268 PolarHBondContact O-N 3.03Å; G268-A270 VanDerWaalsContact C-N 3.33Å; G268-A270 PolarHBondContact O-N 3.36Å; G268-L271 WeakPolarHBondContact O-CB 3.14Å; G268-L271 PolarHBondContact O-N 3.4Å; G268-L271 VanDerWaalsContact O-N 3.08Å; G268-M272 PolarHBondContact O-N 3.39Å
269L95.1Very high93.9Very high7 Ų749 Ų494%0.03726%0.258CS..Hα-helixtrans-65.6-33.9179.4-65.6169.1000112.8L203 V265 R267 M272 L273 S292 V293L203-L269 HydrophobicContact CD2-CD2 4.28Å; L203-L269 HydrophobicContact CD2-CG 4.13Å; V265-L269 HydrophobicContact CG1-CD1 3.97Å; V265-L269 WeakPolarHBondContact O-CG 3.31Å; V265-L269 PolarHBondContact O-N 3.29Å; R267-L269 PolarHBondContact O-N 3.07Å; L269-M272 HydrophobicContact CD2-CE 4.26Å; L269-M272 PolarHBondContact O-N 3.01Å; L269-L273 WeakPolarHBondContact O-CG 3.13Å; L269-L273 PolarHBondContact O-N 3.06Å; L269-S292 WeakPolarHBondContact CD1-O 3.42Å; L269-V293 HydrophobicContact CB-CG1 4.49Å; L269-V293 HydrophobicContact CD1-CB 4.25Å; L269-V293 HydrophobicContact CD1-CG1 3.82Å
270A96Very high93.9Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-63.4-43170.300000112.5C266 R267 G268 M272 L273 L274 F285 W289 L304C266-A270 WeakPolarHBondContact O-CB 3.31Å; C266-A270 PolarHBondContact O-N 3.25Å; R267-A270 WeakPolarHBondContact O-CB 3.38Å; R267-A270 PolarHBondContact O-N 3.04Å; G268-A270 VanDerWaalsContact C-N 3.33Å; G268-A270 PolarHBondContact O-N 3.36Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 2.88Å; A270-L273 PolarHBondContact O-N 3.45Å; A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 WeakPolarHBondContact O-CG 3.23Å; A270-L274 PolarHBondContact O-N 2.99Å; A270-F285 HydrophobicContact CB-CE2 4.49Å; A270-F285 HydrophobicContact CB-CZ 3.92Å; A270-W289 HydrophobicContact CB-CD2 4.16Å; A270-W289 HydrophobicContact CB-CG 4.39Å; A270-W289 HydrophobicContact CB-CZ2 3.95Å; A270-L304 HydrophobicContact CB-CD1 4.15Å; A270-L304 HydrophobicContact CB-CD2 3.35Å; A270-L304 HydrophobicContact CB-CG 4.39Å
271L94.6Very high93.8Very high28 Ų2851.5 Ų51.515%0.14727%0.266CS..Hα-helixtrans-61.9-42.3178.3-67.4173.4000110.8F196 R267 G268 L273 L274 Q275 V307 L321F196-L271 HydrophobicContact CE2-CB 4.01Å; F196-L271 HydrophobicContact CZ-CB 3.91Å; R267-L271 HydrophobicContact CG-CD1 4.17Å; R267-L271 HydrophobicContact CG-CG 4.44Å; R267-L271 VanDerWaalsContact O-CG 3.3Å; R267-L271 WeakPolarHBondContact O-CG 3.47Å; R267-L271 PolarHBondContact O-N 3.44Å; G268-L271 WeakPolarHBondContact O-CB 3.14Å; G268-L271 PolarHBondContact O-N 3.4Å; G268-L271 VanDerWaalsContact O-N 3.08Å; L271-L273 VanDerWaalsContact C-N 3.29Å; L271-L273 PolarHBondContact O-N 2.94Å; L271-L274 PolarHBondContact O-N 3.38Å; L271-L274 VanDerWaalsContact O-N 3.12Å; L271-Q275 WeakPolarHBondContact O-CB 3.25Å; L271-Q275 PolarHBondContact O-N 3.12Å; L271-V307 HydrophobicContact CD2-CB 3.9Å; L271-V307 HydrophobicContact CD2-CG2 4.05Å; L271-L321 HydrophobicContact CD2-CD1 3.47Å; L271-L321 VanDerWaalsContact CD2-CD1 3.47Å
272M93.6Very high93.8Very high71 Ų7147.9 Ų47.935%0.3525%0.25SC..Hα-helixtrans-55.3-45174.7-174.5-171.168.700111.7M200 G268 L269 A270M200-M272 HydrophobicContact CB-CB 4.34Å; M200-M272 HydrophobicContact CB-CG 4.11Å; M200-M272 HydrophobicContact CB-SD 4.19Å; M200-M272 HydrophobicContact CG-CB 3.91Å; M200-M272 HydrophobicContact CG-CG 4.15Å; M200-M272 HydrophobicContact SD-CB 3.99Å; G268-M272 PolarHBondContact O-N 3.39Å; L269-M272 HydrophobicContact CD2-CE 4.26Å; L269-M272 PolarHBondContact O-N 3.01Å; A270-M272 VanDerWaalsContact C-N 3.31Å; A270-M272 PolarHBondContact O-N 2.88Å
273L93.8Very high93.8Very high37 Ų3752.8 Ų52.819%0.19427%0.27CS..Hα-helixtrans-69-32178.5-66.7173.1000113.1L269 A270 L271 F285 V288 W289L269-L273 WeakPolarHBondContact O-CG 3.13Å; L269-L273 PolarHBondContact O-N 3.06Å; A270-L273 PolarHBondContact O-N 3.45Å; L271-L273 VanDerWaalsContact C-N 3.29Å; L271-L273 PolarHBondContact O-N 2.94Å; L273-F285 HydrophobicContact CB-CE2 4.13Å; L273-F285 HydrophobicContact CD1-CE2 4.39Å; L273-V288 HydrophobicContact CD1-CG1 3.99Å; L273-V288 HydrophobicContact CD2-CG1 3.81Å; L273-W289 HydrophobicContact CD1-CB 3.96Å; L273-W289 HydrophobicContact CD1-CG 4.48Å
274L94.5Very high93.8Very high1 Ų153.6 Ų53.61%0.00527%0.271CS..Hα-helixtrans-86.3-22-178.2-69173.6000113.6A270 L271 N276 A277 F280 F285 A308 I319 L321A270-L274 WeakPolarHBondContact O-CB 3.4Å; A270-L274 WeakPolarHBondContact O-CG 3.23Å; A270-L274 PolarHBondContact O-N 2.99Å; L271-L274 PolarHBondContact O-N 3.38Å; L271-L274 VanDerWaalsContact O-N 3.12Å; L274-N276 PolarHBondContact O-N 3.5Å; L274-N276 VanDerWaalsContact O-N 3.14Å; L274-A277 PolarHBondContact O-N 3.17Å; L274-F280 HydrophobicContact CD2-CB 4.26Å; L274-F280 HydrophobicContact CD2-CD1 4.41Å; L274-F285 HydrophobicContact CD1-CE2 4.16Å; L274-F285 HydrophobicContact CD1-CZ 4.2Å; L274-F285 HydrophobicContact CD2-CD2 3.9Å; L274-F285 HydrophobicContact CD2-CE2 3.76Å; L274-F285 HydrophobicContact CD2-CZ 4.43Å; L274-F285 HydrophobicContact CG-CD2 4.33Å; L274-F285 HydrophobicContact CG-CE2 3.7Å; L274-F285 HydrophobicContact CG-CZ 4.25Å; L274-A308 HydrophobicContact CD1-CB 3.91Å; L274-I319 HydrophobicContact CD1-CD1 4.36Å; L274-I319 HydrophobicContact CD1-CG1 4.48Å; L274-I319 HydrophobicContact CD2-CG1 4.41Å; L274-I319 HydrophobicContact CD2-CG2 4Å; L274-L321 HydrophobicContact CB-CD1 4.44Å
275Q89.1Confident93.9Very high67 Ų6751.4 Ų51.431%0.31326%0.256SS..THydrogen-bonded Turntrans-52-41.6-172.2-173.172.1-600113.1F196 L271F196-Q275 HydrophobicContact CD1-CG 3.89Å; F196-Q275 HydrophobicContact CE1-CB 3.76Å; F196-Q275 HydrophobicContact CE1-CG 3.59Å; F196-Q275 HydrophobicContact CZ-CB 4.31Å; F196-Q275 HydrophobicContact CZ-CG 4.43Å; L271-Q275 WeakPolarHBondContact O-CB 3.25Å; L271-Q275 PolarHBondContact O-N 3.12Å
276N82.1Confident93.9Very high155 Ų15555 Ų5583%0.82927%0.273SS*.THydrogen-bonded Turntrans-98.12.9-177.2-67.1-47.3000113.8L274L274-N276 PolarHBondContact O-N 3.5Å; L274-N276 VanDerWaalsContact O-N 3.14Å
277A86.4Confident93.9Very high28 Ų2859.1 Ų59.123%0.23130%0.295CS..  trans-107.8116.5-175.800000111.3L274 K279 F280L274-A277 PolarHBondContact O-N 3.17Å; A277-K279 VanDerWaalsContact C-N 3.33Å; A277-F280 HydrophobicContact CB-CB 4.37Å; A277-F280 HydrophobicContact CB-CD1 4.28Å
278V87.1Confident93.9Very high136 Ų13658.1 Ų58.182%0.82430%0.297SS*.SBendtrans-62-45.4171.1-1800000110.4S320V278-S320 VanDerWaalsContact O-CB 3.28Å; V278-S320 WeakPolarHBondContact O-CB 3.3Å
279K92.3Very high93.9Very high127 Ų12758 Ų5855%0.55230%0.296SS*.SBendtrans-145.5137169.7-68.8-169.5177.2-166.90108.4A277 T318A277-K279 VanDerWaalsContact C-N 3.33Å; K279-T318 HydrophobicContact CB-CG2 4.36Å; K279-T318 HydrophobicContact CD-CG2 4.46Å
280F95.9Very high94Very high43 Ų4361.3 Ų61.319%0.18931%0.311CS..EExtended strand (participates in β ladder)trans-111.8135.5173.9-151.1144.1000108.2L274 A277 L282 E284 F285 T318 I319L274-F280 HydrophobicContact CD2-CB 4.26Å; L274-F280 HydrophobicContact CD2-CD1 4.41Å; A277-F280 HydrophobicContact CB-CB 4.37Å; A277-F280 HydrophobicContact CB-CD1 4.28Å; F280-L282 PolarHBondContact O-N 3.48Å; F280-E284 HydrophobicContact CD2-CB 4.48Å; F280-E284 HydrophobicContact CE2-CB 3.89Å; F280-F285 HydrophobicContact CB-CB 4.26Å; F280-F285 HydrophobicContact CD1-CB 4.1Å; F280-F285 AromaticContact CD1-CD2 3.79Å; F280-F285 HydrophobicContact CD1-CD2 3.79Å; F280-F285 HydrophobicContact CD1-CG 4.41Å; F280-F285 HydrophobicContact CD2-CB 3.78Å; F280-F285 HydrophobicContact CE1-CB 4.38Å; F280-F285 HydrophobicContact CE1-CD2 4.05Å; F280-F285 HydrophobicContact CE2-CB 4.1Å; F280-F285 HydrophobicContact CG-CB 3.8Å; F280-F285 HydrophobicContact CG-CD2 4.27Å; F280-F285 HydrophobicContact CG-CG 4.46Å; F280-F285 HydrophobicContact CZ-CB 4.38Å; F280-T318 CarbonylContact O-C 3.55Å; F280-T318 WeakPolarHBondContact O-CA 3.43Å; F280-T318 WeakPolarHBondContact O-CB 3.45Å; F280-I319 HydrophobicContact CB-CG2 3.88Å; F280-I319 PolarHBondContact N-O 3.02Å; F280-I319 PolarHBondContact O-N 3.06Å
281N96.6Very high94Very high40 Ų4068.8 Ų68.821%0.21435%0.346CS..EExtended strand (participates in β ladder)trans-51.5122.6163.2179.7-42.2000110.1K283 E284 F285N281-K283 VanDerWaalsContact C-N 3.33Å; N281-K283 PolarHBondContact O-N 3.24Å; N281-K283 PolarHBondContact OD1-N 3.33Å; N281-E284 HydrophobicContact CB-CB 4.12Å; N281-E284 HydrophobicContact CB-CG 4.16Å; N281-E284 PolarHBondContact ND2-OE1 3.25Å; N281-E284 PolarHBondContact O-N 3.44Å; N281-E284 PolarHBondContact OD1-N 3.22Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.35Å; N281-F285 PolarHBondContact O-N 2.95Å
282L96.9Very high93.9Very high7 Ų769.4 Ų69.44%0.03735%0.352CS..Hα-helixtrans-60-41.5-172.5177.663.6000112.6F280 F285 Q286 L301 V310 E317 I319F280-L282 PolarHBondContact O-N 3.48Å; L282-F285 PolarHBondContact O-N 3.24Å; L282-Q286 HydrophobicContact CD1-CG 4.39Å; L282-Q286 WeakPolarHBondContact O-CG 3.41Å; L282-Q286 PolarHBondContact O-N 3.11Å; L282-L301 HydrophobicContact CD1-CD1 4.34Å; L282-L301 HydrophobicContact CD1-CD2 3.96Å; L282-V310 HydrophobicContact CD1-CG1 4.15Å; L282-V310 HydrophobicContact CD1-CG2 4.44Å; L282-V310 HydrophobicContact CD2-CG1 3.73Å; L282-E317 HydrophobicContact CB-CB 4.08Å; L282-E317 WeakPolarHBondContact CB-O 3.48Å; L282-E317 HydrophobicContact CD2-CB 4.07Å; L282-E317 PolarHBondContact N-O 3.18Å; L282-I319 HydrophobicContact CD1-CB 4.09Å; L282-I319 HydrophobicContact CD1-CG2 4.28Å
283K96.8Very high94Very high147 Ų14766.5 Ų66.564%0.63934%0.339SS*.Hα-helixtrans-69.2-48.1-176.7-175.6-179.8177.2-175.50111N281 F285 Q286 D287N281-K283 VanDerWaalsContact C-N 3.33Å; N281-K283 PolarHBondContact O-N 3.24Å; N281-K283 PolarHBondContact OD1-N 3.33Å; K283-F285 VanDerWaalsContact C-N 3.28Å; K283-F285 PolarHBondContact O-N 3.41Å; K283-Q286 PolarHBondContact O-N 3.39Å; K283-D287 PolarHBondContact O-N 3.35Å; K283-D287 VanDerWaalsContact O-N 3.08Å
284E96.5Very high94Very high108 Ų10864.9 Ų64.951%0.50533%0.33SS..Hα-helixtrans-61.3-40.6177-66.5168.3-165.100111F280 N281 D287 V288F280-E284 HydrophobicContact CD2-CB 4.48Å; F280-E284 HydrophobicContact CE2-CB 3.89Å; N281-E284 HydrophobicContact CB-CB 4.12Å; N281-E284 HydrophobicContact CB-CG 4.16Å; N281-E284 PolarHBondContact ND2-OE1 3.25Å; N281-E284 PolarHBondContact O-N 3.44Å; N281-E284 PolarHBondContact OD1-N 3.22Å; E284-D287 PolarHBondContact O-N 3.02Å; E284-V288 WeakPolarHBondContact O-CG2 3.36Å; E284-V288 PolarHBondContact O-N 3.01Å
285F97.3Very high93.8Very high0 Ų073.1 Ų73.10%037%0.369CS..Hα-helixtrans-58.3-48.4174.2169.4-98.8000111.8A270 L273 L274 F280 N281 L282 K283 D287 V288 W289 L304 I319A270-F285 HydrophobicContact CB-CE2 4.49Å; A270-F285 HydrophobicContact CB-CZ 3.92Å; L273-F285 HydrophobicContact CB-CE2 4.13Å; L273-F285 HydrophobicContact CD1-CE2 4.39Å; L274-F285 HydrophobicContact CD1-CE2 4.16Å; L274-F285 HydrophobicContact CD1-CZ 4.2Å; L274-F285 HydrophobicContact CD2-CD2 3.9Å; L274-F285 HydrophobicContact CD2-CE2 3.76Å; L274-F285 HydrophobicContact CD2-CZ 4.43Å; L274-F285 HydrophobicContact CG-CD2 4.33Å; L274-F285 HydrophobicContact CG-CE2 3.7Å; L274-F285 HydrophobicContact CG-CZ 4.25Å; F280-F285 HydrophobicContact CB-CB 4.26Å; F280-F285 HydrophobicContact CD1-CB 4.1Å; F280-F285 AromaticContact CD1-CD2 3.79Å; F280-F285 HydrophobicContact CD1-CD2 3.79Å; F280-F285 HydrophobicContact CD1-CG 4.41Å; F280-F285 HydrophobicContact CD2-CB 3.78Å; F280-F285 HydrophobicContact CE1-CB 4.38Å; F280-F285 HydrophobicContact CE1-CD2 4.05Å; F280-F285 HydrophobicContact CE2-CB 4.1Å; F280-F285 HydrophobicContact CG-CB 3.8Å; F280-F285 HydrophobicContact CG-CD2 4.27Å; F280-F285 HydrophobicContact CG-CG 4.46Å; F280-F285 HydrophobicContact CZ-CB 4.38Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.35Å; N281-F285 PolarHBondContact O-N 2.95Å; L282-F285 PolarHBondContact O-N 3.24Å; K283-F285 VanDerWaalsContact C-N 3.28Å; K283-F285 PolarHBondContact O-N 3.41Å; F285-D287 VanDerWaalsContact C-N 3.31Å; F285-D287 PolarHBondContact O-N 3.31Å; F285-V288 PolarHBondContact O-N 3.12Å; F285-W289 HydrophobicContact CD1-CE3 4.43Å; F285-W289 HydrophobicContact CE1-CB 4.34Å; F285-W289 HydrophobicContact CE1-CD2 4.06Å; F285-W289 AromaticContact CE1-CE3 3.52Å; F285-W289 HydrophobicContact CE1-CE3 3.52Å; F285-W289 HydrophobicContact CE1-CG 4.42Å; F285-W289 HydrophobicContact CE1-CZ3 4.16Å; F285-W289 HydrophobicContact CE2-CB 4.37Å; F285-W289 HydrophobicContact CZ-CB 4.17Å; F285-W289 AromaticContact CZ-CD2 3.98Å; F285-W289 HydrophobicContact CZ-CD2 3.98Å; F285-W289 AromaticContact CZ-CE3 3.91Å; F285-W289 HydrophobicContact CZ-CE3 3.91Å; F285-W289 HydrophobicContact CZ-CG 4.11Å; F285-W289 WeakPolarHBondContact O-CB 3.43Å; F285-W289 PolarHBondContact O-N 3.47Å; F285-L304 HydrophobicContact CE1-CD1 3.76Å; F285-L304 HydrophobicContact CZ-CD1 3.8Å; F285-I319 HydrophobicContact CB-CG2 3.89Å; F285-I319 HydrophobicContact CD1-CD1 4.03Å; F285-I319 HydrophobicContact CD1-CG2 3.81Å; F285-I319 HydrophobicContact CD2-CG2 4.3Å; F285-I319 HydrophobicContact CE1-CD1 3.73Å; F285-I319 HydrophobicContact CE1-CG2 4.46Å; F285-I319 HydrophobicContact CG-CG2 3.71Å; F285-I319 HydrophobicContact CZ-CD1 4.27Å
286Q97.3Very high93.9Very high76 Ų7672.8 Ų72.836%0.35538%0.383SS..Hα-helixtrans-61.8-39.6179.8-73.1-179.4-63.100112.1L282 K283 Q290L282-Q286 HydrophobicContact CD1-CG 4.39Å; L282-Q286 WeakPolarHBondContact O-CG 3.41Å; L282-Q286 PolarHBondContact O-N 3.11Å; K283-Q286 PolarHBondContact O-N 3.39Å; Q286-Q290 WeakPolarHBondContact O-CB 3.46Å; Q286-Q290 PolarHBondContact O-N 3.43Å
287D97.1Very high94.6Very high87 Ų8765.8 Ų65.847%0.46535%0.346SS..Hα-helixtrans-64.9-46.9178-68-25000111.2K283 E284 F285 Q291K283-D287 PolarHBondContact O-N 3.35Å; K283-D287 VanDerWaalsContact O-N 3.08Å; E284-D287 PolarHBondContact O-N 3.02Å; F285-D287 VanDerWaalsContact C-N 3.31Å; F285-D287 PolarHBondContact O-N 3.31Å; D287-Q291 VanDerWaalsContact O-CG 3.26Å; D287-Q291 WeakPolarHBondContact O-CG 3.39Å; D287-Q291 PolarHBondContact O-N 3.48Å; D287-Q291 PolarHBondContact O-NE2 3.47Å
288V96.8Very high95.1Very high53 Ų5367 Ų6732%0.32135%0.352SS..Hα-helixtrans-68.8-39.6178.4175.50000111.5L273 E284 F285 Q291 S292L273-V288 HydrophobicContact CD1-CG1 3.99Å; L273-V288 HydrophobicContact CD2-CG1 3.81Å; E284-V288 WeakPolarHBondContact O-CG2 3.36Å; E284-V288 PolarHBondContact O-N 3.01Å; F285-V288 PolarHBondContact O-N 3.12Å; V288-Q291 PolarHBondContact O-N 3.36Å; V288-S292 PolarHBondContact O-N 2.89Å; V288-S292 VanDerWaalsContact O-N 3.11Å; V288-S292 PolarHBondContact O-OG 3.27Å
289W96.9Very high95.6Very high1 Ų161.6 Ų61.60%0.00432%0.32CS..Hα-helixtrans-63.2-46.1179.6-178.927.8000111.4C266 A270 L273 F285 Q291 S292 T299 R300 Q303 L304C266-W289 HydrophobicContact CB-CZ2 3.96Å; C266-W289 PolarHBondContact O-NE1 3.44Å; A270-W289 HydrophobicContact CB-CD2 4.16Å; A270-W289 HydrophobicContact CB-CG 4.39Å; A270-W289 HydrophobicContact CB-CZ2 3.95Å; L273-W289 HydrophobicContact CD1-CB 3.96Å; L273-W289 HydrophobicContact CD1-CG 4.48Å; F285-W289 HydrophobicContact CD1-CE3 4.43Å; F285-W289 HydrophobicContact CE1-CB 4.34Å; F285-W289 HydrophobicContact CE1-CD2 4.06Å; F285-W289 AromaticContact CE1-CE3 3.52Å; F285-W289 HydrophobicContact CE1-CE3 3.52Å; F285-W289 HydrophobicContact CE1-CG 4.42Å; F285-W289 HydrophobicContact CE1-CZ3 4.16Å; F285-W289 HydrophobicContact CE2-CB 4.37Å; F285-W289 HydrophobicContact CZ-CB 4.17Å; F285-W289 AromaticContact CZ-CD2 3.98Å; F285-W289 HydrophobicContact CZ-CD2 3.98Å; F285-W289 AromaticContact CZ-CE3 3.91Å; F285-W289 HydrophobicContact CZ-CE3 3.91Å; F285-W289 HydrophobicContact CZ-CG 4.11Å; F285-W289 WeakPolarHBondContact O-CB 3.43Å; F285-W289 PolarHBondContact O-N 3.47Å; W289-Q291 PolarHBondContact O-N 2.9Å; W289-S292 PolarHBondContact O-N 3.47Å; W289-T299 HydrophobicContact CD2-CG2 3.6Å; W289-T299 HydrophobicContact CE3-CG2 4.2Å; W289-T299 HydrophobicContact CG-CG2 3.79Å; W289-T299 HydrophobicContact CZ2-CG2 4.09Å; W289-R300 VanDerWaalsContact CH2-O 3.3Å; W289-R300 WeakPolarHBondContact CH2-O 3.45Å; W289-Q303 HydrophobicContact CH2-CB 4.25Å; W289-Q303 HydrophobicContact CZ2-CB 4.49Å; W289-L304 HydrophobicContact CE3-CD1 4.28Å; W289-L304 HydrophobicContact CH2-CD1 3.75Å; W289-L304 HydrophobicContact CH2-CD2 3.75Å; W289-L304 HydrophobicContact CH2-CG 3.56Å; W289-L304 HydrophobicContact CZ2-CD1 4.35Å; W289-L304 HydrophobicContact CZ2-CD2 3.75Å; W289-L304 HydrophobicContact CZ2-CG 4.11Å; W289-L304 HydrophobicContact CZ3-CD1 3.71Å; W289-L304 HydrophobicContact CZ3-CG 4.04Å
290Q97.2Very high95.8Very high75 Ų7561.5 Ų61.535%0.3532%0.316SS..Hα-helixtrans-64.5-29.5177.1-173.956.969.200113Q286 S292 V293 M297 T299Q286-Q290 WeakPolarHBondContact O-CB 3.46Å; Q286-Q290 PolarHBondContact O-N 3.43Å; Q290-S292 VanDerWaalsContact C-N 3.31Å; Q290-V293 WeakPolarHBondContact O-CG2 3.46Å; Q290-M297 PolarHBondContact NE2-O 3.34Å; Q290-T299 HydrophobicContact CB-CG2 4.41Å; Q290-T299 PolarHBondContact OE1-OG1 2.98Å
291Q94.9Very high95.8Very high157 Ų15761.1 Ų61.173%0.73432%0.316SS*.Hα-helixtrans-77.2-17.3175.4-70.7169.327.100113.4D287 V288 W289D287-Q291 VanDerWaalsContact O-CG 3.26Å; D287-Q291 WeakPolarHBondContact O-CG 3.39Å; D287-Q291 PolarHBondContact O-N 3.48Å; D287-Q291 PolarHBondContact O-NE2 3.47Å; V288-Q291 PolarHBondContact O-N 3.36Å; W289-Q291 PolarHBondContact O-N 2.9Å
292S93.8Very high95.7Very high41 Ų4164.9 Ų64.929%0.28733%0.332SS..Hα-helixtrans-91.6-15.3-175.4-56.90000113.2L269 V288 W289 Q290L269-S292 WeakPolarHBondContact CD1-O 3.42Å; V288-S292 PolarHBondContact O-N 2.89Å; V288-S292 VanDerWaalsContact O-N 3.11Å; V288-S292 PolarHBondContact O-OG 3.27Å; W289-S292 PolarHBondContact O-N 3.47Å; Q290-S292 VanDerWaalsContact C-N 3.31Å
293V94.4Very high95.7Very high11 Ų1165 Ų657%0.06733%0.333CS..SBendtrans-90.8151.3-178.6-58.40000111.6C266 L269 Q290 M297 T299C266-V293 HydrophobicContact CB-CG1 4.44Å; L269-V293 HydrophobicContact CB-CG1 4.49Å; L269-V293 HydrophobicContact CD1-CB 4.25Å; L269-V293 HydrophobicContact CD1-CG1 3.82Å; Q290-V293 WeakPolarHBondContact O-CG2 3.46Å; V293-M297 HydrophobicContact CB-CB 4.23Å; V293-M297 HydrophobicContact CG2-CB 4.06Å; V293-T299 HydrophobicContact CG1-CG2 3.76Å; V293-T299 HydrophobicContact CG2-CG2 3.92Å
294P93.3Very high95.7Very high2 Ų258.2 Ų58.21%0.01330%0.303CS..PPolyproline II helixtrans-55.2155.8177.3-27.534.8000114.4A207 D211 G296 M297A207-P294 HydrophobicContact CB-CG 3.82Å; D211-P294 VanDerWaalsContact OD1-CA 3.29Å; D211-P294 WeakPolarHBondContact OD1-CA 3.47Å; D211-P294 WeakPolarHBondContact OD1-CB 3.36Å; P294-G296 PolarHBondContact O-N 2.85Å; P294-M297 HydrophobicContact CG-CE 4.32Å; P294-M297 HydrophobicContact CG-SD 4.27Å; P294-M297 PolarHBondContact O-N 3.46Å
295E90.5Very high95.6Very high175 Ų17557 Ų5782%0.81830%0.296SS*.THydrogen-bonded Turntrans-57.6132.1176.5-169.1175.3176.600111D211D211-E295 PolarHBondContact OD1-N 2.59Å
296G91.9Very high95.4Very high60 Ų6057.3 Ų57.362%0.61930%0.299SS*.THydrogen-bonded Turntrans93.6-10.4-17900000115.4P294P294-G296 PolarHBondContact O-N 2.85Å
297M95.6Very high95.3Very high7 Ų754.5 Ų54.53%0.03429%0.287CS..  trans-88145.6172.5-64-165.4-177.400112.4F217 L260 E262 V265 Q290 V293 P294F217-M297 HydrophobicContact CB-CE 3.64Å; F217-M297 HydrophobicContact CD1-CE 4.44Å; F217-M297 HydrophobicContact CD1-CG 4.25Å; F217-M297 HydrophobicContact CD2-CE 4.04Å; F217-M297 HydrophobicContact CE1-CG 4.42Å; F217-M297 HydrophobicContact CG-CE 3.81Å; F217-M297 HydrophobicContact CG-CG 4.47Å; L260-M297 HydrophobicContact CB-CE 4.12Å; L260-M297 HydrophobicContact CD1-CE 4.34Å; E262-M297 HydrophobicContact CG-CB 4.05Å; E262-M297 HydrophobicContact CG-CG 4.04Å; E262-M297 HydrophobicContact CG-SD 4.36Å; V265-M297 HydrophobicContact CB-CE 4.12Å; V265-M297 HydrophobicContact CB-SD 3.88Å; V265-M297 HydrophobicContact CG1-CE 4.08Å; V265-M297 HydrophobicContact CG1-SD 3.7Å; V265-M297 HydrophobicContact CG2-CE 4.19Å; Q290-M297 PolarHBondContact NE2-O 3.34Å; V293-M297 HydrophobicContact CB-CB 4.23Å; V293-M297 HydrophobicContact CG2-CB 4.06Å; P294-M297 HydrophobicContact CG-CE 4.32Å; P294-M297 HydrophobicContact CG-SD 4.27Å; P294-M297 PolarHBondContact O-N 3.46Å
298S97.1Very high95.2Very high53 Ų5350.9 Ų50.937%0.37127%0.269SS..  trans-120.1125.7179.6-175.10000112.4E262 Q303E262-S298 PolarHBondContact OE1-N 3.45Å; S298-Q303 PolarHBondContact O-NE2 3.47Å; S298-Q303 VanDerWaalsContact O-NE2 3.15Å; S298-Q303 PolarHBondContact O-OE1 3.04Å
299T97.8Very high95.2Very high24 Ų2449.4 Ų49.415%0.14726%0.259CS..  trans-84.6131.1179.962.10000112.2W289 Q290 V293W289-T299 HydrophobicContact CD2-CG2 3.6Å; W289-T299 HydrophobicContact CE3-CG2 4.2Å; W289-T299 HydrophobicContact CG-CG2 3.79Å; W289-T299 HydrophobicContact CZ2-CG2 4.09Å; Q290-T299 HydrophobicContact CB-CG2 4.41Å; Q290-T299 PolarHBondContact OE1-OG1 2.98Å; V293-T299 HydrophobicContact CG1-CG2 3.76Å; V293-T299 HydrophobicContact CG2-CG2 3.92Å
300R96.8Very high95.1Very high124 Ų12450.7 Ų50.747%0.46827%0.267SS..  trans-142.1132.4-177.2-70.1172-100.4-179.9-5.4109.8E262 W289 E302 Q303E262-R300 IonicContact OE1-NH2 3.86Å; E262-R300 PolarHBondContact OE1-NH2 2.87Å; E262-R300 VanDerWaalsContact OE1-NH2 3.11Å; E262-R300 IonicContact OE2-NH2 2.6Å; W289-R300 VanDerWaalsContact CH2-O 3.3Å; W289-R300 WeakPolarHBondContact CH2-O 3.45Å; R300-E302 PolarHBondContact O-N 2.96Å; R300-Q303 HydrophobicContact CB-CG 4.3Å; R300-Q303 VanDerWaalsContact O-CB 3.23Å; R300-Q303 WeakPolarHBondContact O-CB 3.05Å; R300-Q303 PolarHBondContact O-N 3.35Å; R300-Q303 PolarHBondContact O-OE1 3.08Å
301L95.7Very high94.8Very high36 Ų3648.7 Ų48.719%0.18826%0.259CS..G310 helixtrans-55.6-26.4-179.6-66.3176.1000113.8L282 Q303 L304 V310 I319L282-L301 HydrophobicContact CD1-CD1 4.34Å; L282-L301 HydrophobicContact CD1-CD2 3.96Å; L301-Q303 PolarHBondContact O-N 2.95Å; L301-L304 HydrophobicContact CD2-CD1 4.49Å; L301-L304 PolarHBondContact O-N 3.21Å; L301-V310 HydrophobicContact CD1-CG2 4.49Å; L301-V310 HydrophobicContact CD2-CG2 4.33Å; L301-I319 HydrophobicContact CD2-CD1 4.33Å
302E95.3Very high94.6Very high119 Ų11948.2 Ų48.256%0.55625%0.25SS*.G310 helixtrans-55.6-34.4172.1-61.9-58.3142.600113R300 L304 K305R300-E302 PolarHBondContact O-N 2.96Å; E302-L304 PolarHBondContact O-N 2.87Å; E302-K305 WeakPolarHBondContact O-CB 3.33Å; E302-K305 WeakPolarHBondContact O-CG 3.48Å; E302-K305 PolarHBondContact O-N 3.04Å; E302-K305 VanDerWaalsContact OE2-CD 3.31Å; E302-K305 WeakPolarHBondContact OE2-CD 3.34Å; E302-K305 WeakPolarHBondContact OE2-CE 3.43Å; E302-K305 IonicContact OE2-NZ 2.82Å; E302-K305 PolarHBondContact OE2-NZ 3.37Å
303Q96.4Very high94.4Very high9 Ų952 Ų524%0.04227%0.272CS..G310 helixtrans-66.9-14.1176.4-63167.2-40.400112.6D263 R267 W289 S298 R300 L301D263-Q303 HydrophobicContact CB-CG 4.3Å; D263-Q303 WeakPolarHBondContact OD1-CG 3.28Å; D263-Q303 PolarHBondContact OD1-NE2 3Å; R267-Q303 PolarHBondContact NE-O 2.71Å; R267-Q303 PolarHBondContact NH2-O 3.25Å; W289-Q303 HydrophobicContact CH2-CB 4.25Å; W289-Q303 HydrophobicContact CZ2-CB 4.49Å; S298-Q303 PolarHBondContact O-NE2 3.47Å; S298-Q303 VanDerWaalsContact O-NE2 3.15Å; S298-Q303 PolarHBondContact O-OE1 3.04Å; R300-Q303 HydrophobicContact CB-CG 4.3Å; R300-Q303 VanDerWaalsContact O-CB 3.23Å; R300-Q303 WeakPolarHBondContact O-CB 3.05Å; R300-Q303 PolarHBondContact O-N 3.35Å; R300-Q303 PolarHBondContact O-OE1 3.08Å; L301-Q303 PolarHBondContact O-N 2.95Å
304L96.5Very high94.2Very high4 Ų452.6 Ų52.62%0.02128%0.277CS..G310 helixtrans-103.86.1179.9-51.3-176.9000113.4A270 F285 W289 L301 E302 G306 V307 A308 I319A270-L304 HydrophobicContact CB-CD1 4.15Å; A270-L304 HydrophobicContact CB-CD2 3.35Å; A270-L304 HydrophobicContact CB-CG 4.39Å; F285-L304 HydrophobicContact CE1-CD1 3.76Å; F285-L304 HydrophobicContact CZ-CD1 3.8Å; W289-L304 HydrophobicContact CE3-CD1 4.28Å; W289-L304 HydrophobicContact CH2-CD1 3.75Å; W289-L304 HydrophobicContact CH2-CD2 3.75Å; W289-L304 HydrophobicContact CH2-CG 3.56Å; W289-L304 HydrophobicContact CZ2-CD1 4.35Å; W289-L304 HydrophobicContact CZ2-CD2 3.75Å; W289-L304 HydrophobicContact CZ2-CG 4.11Å; W289-L304 HydrophobicContact CZ3-CD1 3.71Å; W289-L304 HydrophobicContact CZ3-CG 4.04Å; L301-L304 HydrophobicContact CD2-CD1 4.49Å; L301-L304 PolarHBondContact O-N 3.21Å; E302-L304 PolarHBondContact O-N 2.87Å; L304-G306 PolarHBondContact O-N 3.06Å; L304-V307 HydrophobicContact CB-CG2 4.25Å; L304-V307 VanDerWaalsContact O-CG2 3.3Å; L304-V307 WeakPolarHBondContact O-CG2 3.48Å; L304-V307 PolarHBondContact O-N 3.28Å; L304-A308 HydrophobicContact CB-CB 3.98Å; L304-A308 HydrophobicContact CD1-CB 4.37Å; L304-A308 PolarHBondContact O-N 3.2Å; L304-I319 HydrophobicContact CD1-CD1 3.78Å
305K94.2Very high94.1Very high84 Ų8461.8 Ų61.837%0.36531%0.311SS..THydrogen-bonded Turntrans-54.5128.4173.8-81.7-179.7159.4169.70110.8R267 E302 V307 P352R267-K305 PolarHBondContact NH1-O 3.07Å; R267-K305 PolarHBondContact NH2-O 3.46Å; E302-K305 WeakPolarHBondContact O-CB 3.33Å; E302-K305 WeakPolarHBondContact O-CG 3.48Å; E302-K305 PolarHBondContact O-N 3.04Å; E302-K305 VanDerWaalsContact OE2-CD 3.31Å; E302-K305 WeakPolarHBondContact OE2-CD 3.34Å; E302-K305 WeakPolarHBondContact OE2-CE 3.43Å; E302-K305 IonicContact OE2-NZ 2.82Å; E302-K305 PolarHBondContact OE2-NZ 3.37Å; K305-V307 VanDerWaalsContact C-N 3.3Å; K305-V307 PolarHBondContact O-N 2.92Å; K305-P352 HydrophobicContact CB-CB 3.98Å; K305-P352 HydrophobicContact CB-CG 3.76Å; K305-P352 HydrophobicContact CD-CG 4.02Å; K305-P352 HydrophobicContact CG-CG 3.86Å
306G94.3Very high94.2Very high6 Ų657.1 Ų57.16%0.06230%0.296CS..THydrogen-bonded Turntrans81.3-0.3-179.600000115.2L304 L322 V324L304-G306 PolarHBondContact O-N 3.06Å; G306-L322 CarbonylContact C-O 3.59Å; G306-V324 WeakPolarHBondContact O-CG2 3.22Å; G306-V324 PolarHBondContact O-N 2.98Å
307V95.1Very high94.5Very high17 Ų1757.5 Ų57.510%0.10328%0.282CS..THydrogen-bonded Turntrans-130.1-15.4176-660000115.1R267 L271 L304 K305 L321 L322 R323R267-V307 HydrophobicContact CG-CG2 4.2Å; R267-V307 VanDerWaalsContact NH1-CG2 3.34Å; L271-V307 HydrophobicContact CD2-CB 3.9Å; L271-V307 HydrophobicContact CD2-CG2 4.05Å; L304-V307 HydrophobicContact CB-CG2 4.25Å; L304-V307 VanDerWaalsContact O-CG2 3.3Å; L304-V307 WeakPolarHBondContact O-CG2 3.48Å; L304-V307 PolarHBondContact O-N 3.28Å; K305-V307 VanDerWaalsContact C-N 3.3Å; K305-V307 PolarHBondContact O-N 2.92Å; V307-L321 WeakPolarHBondContact O-CD1 3.48Å; V307-L322 CarbonylContact C-O 3.53Å; V307-L322 WeakPolarHBondContact CA-O 3.39Å; V307-L322 PolarHBondContact N-O 3.03Å; V307-L322 CarbonylContact O-C 3.53Å; V307-L322 VanDerWaalsContact O-C 3.32Å; V307-L322 PolarHBondContact O-N 3.24Å; V307-L322 VanDerWaalsContact O-O 3.08Å; V307-R323 HydrophobicContact CB-CG 4.39Å; V307-R323 HydrophobicContact CG1-CG 4.37Å
308A95.9Very high94.5Very high10 Ų1058 Ų588%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-139.3145.5176.200000112.7L274 L304 I319 S320 Y353L274-A308 HydrophobicContact CD1-CB 3.91Å; L304-A308 HydrophobicContact CB-CB 3.98Å; L304-A308 HydrophobicContact CD1-CB 4.37Å; L304-A308 PolarHBondContact O-N 3.2Å; A308-I319 HydrophobicContact CB-CD1 3.85Å; A308-I319 HydrophobicContact CB-CG1 3.94Å; A308-S320 CarbonylContact C-O 3.57Å; A308-S320 VanDerWaalsContact CA-O 3.31Å; A308-S320 WeakPolarHBondContact CA-O 3.27Å; A308-Y353 PolarHBondContact O-OH 3.26Å
309L94.8Very high94.5Very high22 Ų2255.4 Ų55.412%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-108.3119.7177.5-17463.5000110.6I319 S320 L322 W345L309-I319 WeakPolarHBondContact O-CA 3.4Å; L309-S320 PolarHBondContact N-O 2.81Å; L309-S320 PolarHBondContact O-N 2.72Å; L309-L322 HydrophobicContact CB-CB 4Å; L309-L322 HydrophobicContact CB-CD2 4.04Å; L309-L322 HydrophobicContact CD1-CD2 4.36Å; L309-L322 HydrophobicContact CD2-CD2 4.16Å; L309-L322 HydrophobicContact CG-CD2 4.42Å; L309-W345 HydrophobicContact CD1-CH2 3.33Å; L309-W345 HydrophobicContact CD1-CZ2 4.26Å; L309-W345 HydrophobicContact CD1-CZ3 3.56Å; L309-W345 HydrophobicContact CD2-CH2 4.3Å; L309-W345 HydrophobicContact CG-CH2 4.45Å
310V95.1Very high94.4Very high28 Ų2855.3 Ų55.317%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-98111.8177.9-178.80000110.8L282 L301 R312 T318 I319 R342L282-V310 HydrophobicContact CD1-CG1 4.15Å; L282-V310 HydrophobicContact CD1-CG2 4.44Å; L282-V310 HydrophobicContact CD2-CG1 3.73Å; L301-V310 HydrophobicContact CD1-CG2 4.49Å; L301-V310 HydrophobicContact CD2-CG2 4.33Å; V310-R312 HydrophobicContact CG1-CG 4.04Å; V310-T318 CarbonylContact C-O 3.58Å; V310-T318 WeakPolarHBondContact CA-O 3.3Å; V310-I319 HydrophobicContact CG2-CB 4.44Å; V310-I319 HydrophobicContact CG2-CD1 3.98Å; V310-I319 HydrophobicContact CG2-CG1 4.05Å; V310-R342 VanDerWaalsContact C-NH2 3.33Å; V310-R342 PolarHBondContact O-NH2 2.82Å
311D92Very high94.3Very high33 Ų3351.7 Ų51.718%0.17626%0.257CS..EExtended strand (participates in β ladder)trans-93.296.5175.7179.65.2000111.7T313 S314 E317 T318D311-T313 VanDerWaalsContact C-N 3.28Å; D311-T313 PolarHBondContact O-N 2.89Å; D311-T313 WeakPolarHBondContact OD1-CA 3.03Å; D311-T313 WeakPolarHBondContact OD1-CB 3.35Å; D311-T313 PolarHBondContact OD1-N 2.88Å; D311-T313 PolarHBondContact OD1-OG1 3.07Å; D311-S314 PolarHBondContact O-OG 3.1Å; D311-S314 PolarHBondContact OD1-N 3.42Å; D311-S314 VanDerWaalsContact OD1-N 3.09Å; D311-S314 WeakPolarHBondContact OD2-CB 3.5Å; D311-S314 PolarHBondContact OD2-OG 2.9Å; D311-E317 WeakPolarHBondContact O-CA 3.3Å; D311-T318 PolarHBondContact N-O 2.97Å; D311-T318 PolarHBondContact O-N 2.8Å; D311-T318 VanDerWaalsContact O-N 3.13Å
312R91.1Very high94.3Very high147 Ų14750.8 Ų50.856%0.55525%0.253SS*.SBendtrans-79.6-6.7175.3-59.4179.6-177.3-103.85.9114V310 R315V310-R312 HydrophobicContact CG1-CG 4.04Å; R312-R315 PolarHBondContact O-NH1 2.95Å
313T87.9Confident94.2Very high121 Ų12147.9 Ų47.974%0.74224%0.236SC*.SBendtrans-86.6-29.1179.3700000111.5D311D311-T313 VanDerWaalsContact C-N 3.28Å; D311-T313 PolarHBondContact O-N 2.89Å; D311-T313 WeakPolarHBondContact OD1-CA 3.03Å; D311-T313 WeakPolarHBondContact OD1-CB 3.35Å; D311-T313 PolarHBondContact OD1-N 2.88Å; D311-T313 PolarHBondContact OD1-OG1 3.07Å
314S90.4Very high94Very high24 Ų2449 Ų4917%0.16824%0.244CC..SBendtrans-63.6155.2171.962.70000113.3D311 P316 E317 T318D311-S314 PolarHBondContact O-OG 3.1Å; D311-S314 PolarHBondContact OD1-N 3.42Å; D311-S314 VanDerWaalsContact OD1-N 3.09Å; D311-S314 WeakPolarHBondContact OD2-CB 3.5Å; D311-S314 PolarHBondContact OD2-OG 2.9Å; S314-P316 CarbonylContact C-O 3.54Å; S314-P316 WeakPolarHBondContact CB-O 3.46Å; S314-P316 CarbonylContact O-C 3.43Å; S314-P316 PolarHBondContact OG-O 3.36Å; S314-E317 PolarHBondContact O-N 3.25Å; S314-T318 PolarHBondContact OG-N 2.88Å; S314-T318 PolarHBondContact OG-OG1 3.19Å
315R92.8Very high93.6Very high194 Ų19452.2 Ų52.273%0.73226%0.259SS*.SBendtrans-131.6108.3174.6-66.6-66.5180-91.84.8108.7R312R312-R315 PolarHBondContact O-NH1 2.95Å
316P92.6Very high93.4Very high78 Ų7852.4 Ų52.451%0.50626%0.264SS..SBendcis-64.4161.9-230.8-36.5000112.6S314S314-P316 CarbonylContact C-O 3.54Å; S314-P316 WeakPolarHBondContact CB-O 3.46Å; S314-P316 CarbonylContact O-C 3.43Å; S314-P316 PolarHBondContact OG-O 3.36Å
317E96.8Very high93.3Very high68 Ų6852.2 Ų52.232%0.31826%0.261SS..  trans-62.2143.2171.1-60.9-173.4146.100109.6L282 D311 S314L282-E317 HydrophobicContact CB-CB 4.08Å; L282-E317 WeakPolarHBondContact CB-O 3.48Å; L282-E317 HydrophobicContact CD2-CB 4.07Å; L282-E317 PolarHBondContact N-O 3.18Å; D311-E317 WeakPolarHBondContact O-CA 3.3Å; S314-E317 PolarHBondContact O-N 3.25Å
318T96.6Very high93.2Very high16 Ų1652.9 Ų52.910%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-128.8156-174.553.50000112.4K279 F280 V310 D311 S314K279-T318 HydrophobicContact CB-CG2 4.36Å; K279-T318 HydrophobicContact CD-CG2 4.46Å; F280-T318 CarbonylContact O-C 3.55Å; F280-T318 WeakPolarHBondContact O-CA 3.43Å; F280-T318 WeakPolarHBondContact O-CB 3.45Å; V310-T318 CarbonylContact C-O 3.58Å; V310-T318 WeakPolarHBondContact CA-O 3.3Å; D311-T318 PolarHBondContact N-O 2.97Å; D311-T318 PolarHBondContact O-N 2.8Å; D311-T318 VanDerWaalsContact O-N 3.13Å; S314-T318 PolarHBondContact OG-N 2.88Å; S314-T318 PolarHBondContact OG-OG1 3.19Å
319I96.7Very high92.9Very high0 Ų055.9 Ų55.90%028%0.278CS..EExtended strand (participates in β ladder)trans-125.2145.3169.7-173.5170.7000109.1L274 F280 L282 F285 L301 L304 A308 L309 V310L274-I319 HydrophobicContact CD1-CD1 4.36Å; L274-I319 HydrophobicContact CD1-CG1 4.48Å; L274-I319 HydrophobicContact CD2-CG1 4.41Å; L274-I319 HydrophobicContact CD2-CG2 4Å; F280-I319 HydrophobicContact CB-CG2 3.88Å; F280-I319 PolarHBondContact N-O 3.02Å; F280-I319 PolarHBondContact O-N 3.06Å; L282-I319 HydrophobicContact CD1-CB 4.09Å; L282-I319 HydrophobicContact CD1-CG2 4.28Å; F285-I319 HydrophobicContact CB-CG2 3.89Å; F285-I319 HydrophobicContact CD1-CD1 4.03Å; F285-I319 HydrophobicContact CD1-CG2 3.81Å; F285-I319 HydrophobicContact CD2-CG2 4.3Å; F285-I319 HydrophobicContact CE1-CD1 3.73Å; F285-I319 HydrophobicContact CE1-CG2 4.46Å; F285-I319 HydrophobicContact CG-CG2 3.71Å; F285-I319 HydrophobicContact CZ-CD1 4.27Å; L301-I319 HydrophobicContact CD2-CD1 4.33Å; L304-I319 HydrophobicContact CD1-CD1 3.78Å; A308-I319 HydrophobicContact CB-CD1 3.85Å; A308-I319 HydrophobicContact CB-CG1 3.94Å; L309-I319 WeakPolarHBondContact O-CA 3.4Å; V310-I319 HydrophobicContact CG2-CB 4.44Å; V310-I319 HydrophobicContact CG2-CD1 3.98Å; V310-I319 HydrophobicContact CG2-CG1 4.05Å
320S95Very high92.7Very high22 Ų2258.5 Ų58.515%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-145.8155.5179.651.70000110.3V278 A308 L309V278-S320 VanDerWaalsContact O-CB 3.28Å; V278-S320 WeakPolarHBondContact O-CB 3.3Å; A308-S320 CarbonylContact C-O 3.57Å; A308-S320 VanDerWaalsContact CA-O 3.31Å; A308-S320 WeakPolarHBondContact CA-O 3.27Å; L309-S320 PolarHBondContact N-O 2.81Å; L309-S320 PolarHBondContact O-N 2.72Å
321L95.4Very high92.5Very high48 Ų4858.1 Ų58.125%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-66132.3176.6-168.772000110.5L271 L274 V307 R323L271-L321 HydrophobicContact CD2-CD1 3.47Å; L271-L321 VanDerWaalsContact CD2-CD1 3.47Å; L274-L321 HydrophobicContact CB-CD1 4.44Å; V307-L321 WeakPolarHBondContact O-CD1 3.48Å; L321-R323 HydrophobicContact CD1-CG 3.89Å; L321-R323 HydrophobicContact CD2-CG 4.42Å; L321-R323 HydrophobicContact CG-CG 4.02Å
322L95Very high92.5Very high17 Ų1759.7 Ų59.79%0.08930%0.301CS..  trans-151.597.6170.317963.1000107.7G306 V307 L309 L327 L338 L341 W345 Y353G306-L322 CarbonylContact C-O 3.59Å; V307-L322 CarbonylContact C-O 3.53Å; V307-L322 WeakPolarHBondContact CA-O 3.39Å; V307-L322 PolarHBondContact N-O 3.03Å; V307-L322 CarbonylContact O-C 3.53Å; V307-L322 VanDerWaalsContact O-C 3.32Å; V307-L322 PolarHBondContact O-N 3.24Å; V307-L322 VanDerWaalsContact O-O 3.08Å; L309-L322 HydrophobicContact CB-CB 4Å; L309-L322 HydrophobicContact CB-CD2 4.04Å; L309-L322 HydrophobicContact CD1-CD2 4.36Å; L309-L322 HydrophobicContact CD2-CD2 4.16Å; L309-L322 HydrophobicContact CG-CD2 4.42Å; L322-L327 HydrophobicContact CD1-CD2 3.99Å; L322-L338 HydrophobicContact CD2-CD2 4.4Å; L322-L341 HydrophobicContact CD1-CD1 3.55Å; L322-L341 HydrophobicContact CD2-CD1 3.96Å; L322-L341 HydrophobicContact CG-CD1 4.43Å; L322-W345 HydrophobicContact CD2-CH2 4.14Å; L322-Y353 HydrophobicContact CB-CE1 4.32Å; L322-Y353 HydrophobicContact CD2-CD1 4.3Å; L322-Y353 HydrophobicContact CD2-CE1 3.79Å; L322-Y353 HydrophobicContact CD2-CE2 4.29Å; L322-Y353 HydrophobicContact CG-CD1 4.37Å; L322-Y353 HydrophobicContact CG-CE1 3.74Å; L322-Y353 VanDerWaalsContact O-CE1 3.28Å; L322-Y353 WeakPolarHBondContact O-CE1 3.45Å
323R93.2Very high92.7Very high57 Ų5758.4 Ų58.422%0.21530%0.301CS..  trans-94.2135.1-176.4-55.2171.3-66.6-168.74.6110.5V307 L321 E325 D326V307-R323 HydrophobicContact CB-CG 4.39Å; V307-R323 HydrophobicContact CG1-CG 4.37Å; L321-R323 HydrophobicContact CD1-CG 3.89Å; L321-R323 HydrophobicContact CD2-CG 4.42Å; L321-R323 HydrophobicContact CG-CG 4.02Å; R323-E325 HydrophobicContact CB-CG 3.51Å; R323-E325 WeakPolarHBondContact CD-OE1 3.23Å; R323-E325 IonicContact CZ-OE1 3.6Å; R323-E325 IonicContact NE-OE1 3.92Å; R323-E325 IonicContact NH1-OE1 2.66Å; R323-E325 PolarHBondContact O-N 3.02Å; R323-D326 IonicContact CZ-OD1 3.83Å; R323-D326 IonicContact CZ-OD2 2.75Å; R323-D326 VanDerWaalsContact CZ-OD2 3.24Å; R323-D326 IonicContact NE-OD1 3.5Å; R323-D326 IonicContact NE-OD2 3.17Å; R323-D326 PolarHBondContact NE-OD2 3.07Å; R323-D326 IonicContact NH2-OD1 3.71Å; R323-D326 PolarHBondContact NH2-OD1 2.86Å; R323-D326 VanDerWaalsContact NH2-OD1 3.17Å; R323-D326 IonicContact NH2-OD2 3.85Å; R323-D326 PolarHBondContact NH2-OD2 2.66Å; R323-D326 WeakPolarHBondContact O-CB 3.44Å; R323-D326 PolarHBondContact O-N 3.34Å
324V92.9Very high93Very high32 Ų3252.9 Ų52.919%0.19427%0.267CS..G310 helixtrans-52.3-39.6175.3173.70000111.2G306 D326 L327 P352 Y353G306-V324 WeakPolarHBondContact O-CG2 3.22Å; G306-V324 PolarHBondContact O-N 2.98Å; V324-D326 PolarHBondContact O-N 2.94Å; V324-L327 VanDerWaalsContact O-CB 3.3Å; V324-L327 WeakPolarHBondContact O-CB 3.29Å; V324-L327 PolarHBondContact O-N 3.34Å; V324-P352 VanDerWaalsContact CG2-O 3.23Å; V324-P352 WeakPolarHBondContact CG2-O 3.12Å; V324-Y353 HydrophobicContact CG2-CD1 3.76Å; V324-Y353 HydrophobicContact CG2-CE1 4.28Å
325E88Confident93.3Very high73 Ų7351.9 Ų51.934%0.34126%0.26SS..G310 helixtrans-60.4-25.5177.649.6172.8-143.700114.4K132 K135 R323K132-E325 WeakPolarHBondContact CE-O 3.34Å; K132-E325 PolarHBondContact NZ-O 2.97Å; K135-E325 IonicContact NZ-OE1 2.63Å; K135-E325 PolarHBondContact NZ-OE1 2.99Å; K135-E325 IonicContact NZ-OE2 3.73Å; K135-E325 PolarHBondContact NZ-OE2 2.85Å; R323-E325 HydrophobicContact CB-CG 3.51Å; R323-E325 WeakPolarHBondContact CD-OE1 3.23Å; R323-E325 IonicContact CZ-OE1 3.6Å; R323-E325 IonicContact NE-OE1 3.92Å; R323-E325 IonicContact NH1-OE1 2.66Å; R323-E325 PolarHBondContact O-N 3.02Å
326D89Confident93.4Very high88 Ų8846.1 Ų46.147%0.47124%0.243SC..G310 helixtrans-81.9-17.4176.6-62.7-35000111.6K132 R323 V324K132-D326 VanDerWaalsContact NZ-C 3.27Å; K132-D326 PolarHBondContact NZ-O 3.42Å; R323-D326 IonicContact CZ-OD1 3.83Å; R323-D326 IonicContact CZ-OD2 2.75Å; R323-D326 VanDerWaalsContact CZ-OD2 3.24Å; R323-D326 IonicContact NE-OD1 3.5Å; R323-D326 IonicContact NE-OD2 3.17Å; R323-D326 PolarHBondContact NE-OD2 3.07Å; R323-D326 IonicContact NH2-OD1 3.71Å; R323-D326 PolarHBondContact NH2-OD1 2.86Å; R323-D326 VanDerWaalsContact NH2-OD1 3.17Å; R323-D326 IonicContact NH2-OD2 3.85Å; R323-D326 PolarHBondContact NH2-OD2 2.66Å; R323-D326 WeakPolarHBondContact O-CB 3.44Å; R323-D326 PolarHBondContact O-N 3.34Å; V324-D326 PolarHBondContact O-N 2.94Å
327L93.1Very high93.5Very high1 Ų146 Ų461%0.00524%0.236CC..SBendtrans-81.7137.6-174.2-63.1-179.8000113.9K132 L322 V324 R334 H337 L338 Y353K132-L327 WeakPolarHBondContact CE-O 3.38Å; K132-L327 PolarHBondContact NZ-O 2.88Å; L322-L327 HydrophobicContact CD1-CD2 3.99Å; V324-L327 VanDerWaalsContact O-CB 3.3Å; V324-L327 WeakPolarHBondContact O-CB 3.29Å; V324-L327 PolarHBondContact O-N 3.34Å; L327-R334 HydrophobicContact CB-CG 4.04Å; L327-R334 HydrophobicContact CD1-CG 4.29Å; L327-H337 VanDerWaalsContact CD2-CD2 3.47Å; L327-H337 WeakPolarHBondContact CD2-CD2 3.37Å; L327-L338 HydrophobicContact CD1-CD2 3.82Å; L327-L338 HydrophobicContact CD1-CG 4.37Å; L327-L338 HydrophobicContact CD2-CD2 4.08Å; L327-Y353 HydrophobicContact CD1-CD1 3.65Å; L327-Y353 HydrophobicContact CD1-CG 4.1Å
328P92.8Very high93.5Very high32 Ų3242.7 Ų42.721%0.20822%0.22CC..  trans-44.7141.8-176.4-28.933.6000115.1E333 R334 H337P328-E333 HydrophobicContact CB-CB 3.74Å; P328-E333 HydrophobicContact CG-CB 4.15Å; P328-R334 HydrophobicContact CB-CB 4.41Å; P328-R334 VanDerWaalsContact O-CZ 3.25Å; P328-R334 PolarHBondContact O-NE 2.65Å; P328-R334 PolarHBondContact O-NH2 3.18Å; P328-H337 HydrophobicContact CG-CB 4.32Å
329E89.2Confident93.4Very high72 Ų7242.4 Ų42.434%0.33622%0.218SC..SBendtrans-73.1-28.6175-75.9178.2151.500112.5L131 K132 T331L131-E329 PolarHBondContact N-OE1 2.79Å; K132-E329 HydrophobicContact CB-CG 4.26Å; K132-E329 VanDerWaalsContact CB-OE1 3.32Å; K132-E329 WeakPolarHBondContact CB-OE1 3.38Å; K132-E329 HydrophobicContact CD-CG 3.57Å; K132-E329 HydrophobicContact CG-CG 3.64Å; K132-E329 VanDerWaalsContact CG-OE1 3.31Å; K132-E329 WeakPolarHBondContact CG-OE1 3.42Å; K132-E329 PolarHBondContact N-OE1 2.95Å; E329-T331 PolarHBondContact O-N 3.15Å
330D90.6Very high93.3Very high78 Ų7845.8 Ų45.842%0.41724%0.241SC..SBendtrans-67.4132.1173.7178.4-96.4000110.6V332 E333 R334D330-V332 PolarHBondContact O-N 3.11Å; D330-V332 WeakPolarHBondContact OD1-CA 3.35Å; D330-V332 WeakPolarHBondContact OD1-CB 3.25Å; D330-V332 PolarHBondContact OD1-N 2.67Å; D330-E333 HydrophobicContact CB-CB 4.06Å; D330-E333 HydrophobicContact CB-CG 4.06Å; D330-E333 PolarHBondContact OD1-N 2.79Å; D330-R334 VanDerWaalsContact O-CB 3.31Å; D330-R334 WeakPolarHBondContact O-CB 3.36Å; D330-R334 PolarHBondContact O-N 3.14Å
331T91.8Very high93.1Very high20 Ų2048.4 Ų48.412%0.12325%0.253CS..Hα-helixtrans-62-44.3-176.8-59.10000111.9E329 R334 F335 L357 L367 Y371E329-T331 PolarHBondContact O-N 3.15Å; T331-R334 PolarHBondContact O-N 2.99Å; T331-F335 HydrophobicContact CG2-CD2 3.98Å; T331-F335 HydrophobicContact CG2-CE2 4.01Å; T331-F335 VanDerWaalsContact O-CD2 3.25Å; T331-F335 WeakPolarHBondContact O-CD2 3.18Å; T331-F335 PolarHBondContact O-N 2.89Å; T331-F335 VanDerWaalsContact O-N 3.11Å; T331-L357 HydrophobicContact CG2-CD1 4.15Å; T331-L367 HydrophobicContact CG2-CD2 4.08Å; T331-Y371 HydrophobicContact CG2-CD1 4.35Å; T331-Y371 HydrophobicContact CG2-CD2 3.73Å; T331-Y371 HydrophobicContact CG2-CE1 4.09Å; T331-Y371 HydrophobicContact CG2-CE2 3.45Å; T331-Y371 VanDerWaalsContact CG2-CE2 3.45Å; T331-Y371 HydrophobicContact CG2-CG 4.19Å
332V92.7Very high93Very high66 Ų6648.3 Ų48.340%0.425%0.249SC..Hα-helixtrans-69.5-46.3-177.41770000110.2D330 R334 F335 N336 Y371D330-V332 PolarHBondContact O-N 3.11Å; D330-V332 WeakPolarHBondContact OD1-CA 3.35Å; D330-V332 WeakPolarHBondContact OD1-CB 3.25Å; D330-V332 PolarHBondContact OD1-N 2.67Å; V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 2.86Å; V332-F335 PolarHBondContact O-N 3.23Å; V332-N336 VanDerWaalsContact O-CG 3.25Å; V332-N336 PolarHBondContact O-N 2.98Å; V332-N336 PolarHBondContact O-ND2 2.82Å; V332-Y371 HydrophobicContact CG2-CD1 3.96Å; V332-Y371 HydrophobicContact CG2-CE1 3.6Å
333E94.2Very high92.8Very high120 Ų12053.8 Ų53.856%0.56128%0.275SS*.Hα-helixtrans-59.3-41.9176.6-67.8-178.5176.200111.7P328 D330 N336 H337P328-E333 HydrophobicContact CB-CB 3.74Å; P328-E333 HydrophobicContact CG-CB 4.15Å; D330-E333 HydrophobicContact CB-CB 4.06Å; D330-E333 HydrophobicContact CB-CG 4.06Å; D330-E333 PolarHBondContact OD1-N 2.79Å; E333-N336 PolarHBondContact O-N 3.22Å; E333-H337 WeakPolarHBondContact O-CB 3.42Å; E333-H337 PolarHBondContact O-N 3.33Å
334R95.1Very high92.8Very high5 Ų554.3 Ų54.32%0.01928%0.278CS..Hα-helixtrans-62.3-47.7177.2-172.3172.6-52.7-179.5-1.2112.4L327 P328 D330 T331 V332 N336 H337 L338 Y353 D356 L357L327-R334 HydrophobicContact CB-CG 4.04Å; L327-R334 HydrophobicContact CD1-CG 4.29Å; P328-R334 HydrophobicContact CB-CB 4.41Å; P328-R334 VanDerWaalsContact O-CZ 3.25Å; P328-R334 PolarHBondContact O-NE 2.65Å; P328-R334 PolarHBondContact O-NH2 3.18Å; D330-R334 VanDerWaalsContact O-CB 3.31Å; D330-R334 WeakPolarHBondContact O-CB 3.36Å; D330-R334 PolarHBondContact O-N 3.14Å; T331-R334 PolarHBondContact O-N 2.99Å; V332-R334 VanDerWaalsContact C-N 3.31Å; V332-R334 PolarHBondContact O-N 2.86Å; R334-N336 VanDerWaalsContact C-N 3.33Å; R334-N336 PolarHBondContact O-N 3.21Å; R334-H337 PolarHBondContact O-N 3.11Å; R334-L338 HydrophobicContact CG-CD1 3.98Å; R334-L338 HydrophobicContact CG-CG 4.33Å; R334-L338 WeakPolarHBondContact O-CB 3.32Å; R334-L338 WeakPolarHBondContact O-CG 3.31Å; R334-L338 PolarHBondContact O-N 3.05Å; R334-Y353 WeakPolarHBondContact CD-O 3.33Å; R334-Y353 PolarHBondContact NH1-O 3.04Å; R334-Y353 VanDerWaalsContact NH1-O 3.07Å; R334-D356 IonicContact CZ-OD1 2.71Å; R334-D356 IonicContact CZ-OD2 3.86Å; R334-D356 IonicContact NH1-OD1 3.11Å; R334-D356 PolarHBondContact NH1-OD1 2.79Å; R334-D356 IonicContact NH1-OD2 2.85Å; R334-D356 PolarHBondContact NH1-OD2 3.25Å; R334-D356 IonicContact NH2-OD2 3.24Å; R334-D356 PolarHBondContact NH2-OD2 3Å; R334-D356 VanDerWaalsContact NH2-OD2 3.12Å; R334-L357 HydrophobicContact CB-CD1 4.17Å; R334-L357 HydrophobicContact CG-CD1 4.34Å
335F96Very high92.9Very high3 Ų352.8 Ų52.81%0.01327%0.269CS..Hα-helixtrans-60.6-43.8176.8-89.6-75.3000111.5T331 V332 H337 L338 F339 I350 I354 L367 L368 Y371T331-F335 HydrophobicContact CG2-CD2 3.98Å; T331-F335 HydrophobicContact CG2-CE2 4.01Å; T331-F335 VanDerWaalsContact O-CD2 3.25Å; T331-F335 WeakPolarHBondContact O-CD2 3.18Å; T331-F335 PolarHBondContact O-N 2.89Å; T331-F335 VanDerWaalsContact O-N 3.11Å; V332-F335 PolarHBondContact O-N 3.23Å; F335-H337 VanDerWaalsContact C-N 3.34Å; F335-H337 PolarHBondContact O-N 3.1Å; F335-L338 PolarHBondContact O-N 3.35Å; F335-F339 HydrophobicContact CB-CD2 4.42Å; F335-F339 HydrophobicContact CB-CE2 4.15Å; F335-F339 AromaticContact CD1-CE2 3.66Å; F335-F339 HydrophobicContact CD1-CE2 3.66Å; F335-F339 AromaticContact CD1-CZ 3.83Å; F335-F339 HydrophobicContact CD1-CZ 3.83Å; F335-F339 HydrophobicContact CE1-CZ 4.4Å; F335-F339 HydrophobicContact CG-CE2 4.37Å; F335-F339 WeakPolarHBondContact O-CB 3.31Å; F335-F339 WeakPolarHBondContact O-CD2 3.4Å; F335-F339 WeakPolarHBondContact O-CG 3.19Å; F335-F339 PolarHBondContact O-N 3.06Å; F335-I350 HydrophobicContact CD1-CD1 4.34Å; F335-I350 HydrophobicContact CE1-CD1 4.03Å; F335-I354 HydrophobicContact CE1-CD1 4.2Å; F335-I354 HydrophobicContact CE1-CG2 4.24Å; F335-I354 HydrophobicContact CE2-CG2 4.33Å; F335-I354 HydrophobicContact CZ-CB 4.4Å; F335-I354 HydrophobicContact CZ-CD1 3.74Å; F335-I354 HydrophobicContact CZ-CG2 3.99Å; F335-L367 HydrophobicContact CE2-CB 4.22Å; F335-L367 HydrophobicContact CZ-CB 4.1Å; F335-L368 HydrophobicContact CE1-CD2 3.91Å; F335-L368 HydrophobicContact CZ-CD2 4.33Å; F335-Y371 HydrophobicContact CD2-CD2 4.23Å; F335-Y371 AromaticContact CD2-CG 3.92Å; F335-Y371 HydrophobicContact CD2-CG 3.92Å; F335-Y371 AromaticContact CE2-CD2 3.93Å; F335-Y371 HydrophobicContact CE2-CD2 3.93Å; F335-Y371 HydrophobicContact CE2-CG 4.05Å
336N94.4Very high93.1Very high73 Ų7351 Ų5139%0.3926%0.263SS..Hα-helixtrans-61.2-43.5176.5-68.8-23.6000111.6V332 E333 R334 F339 S340V332-N336 VanDerWaalsContact O-CG 3.25Å; V332-N336 PolarHBondContact O-N 2.98Å; V332-N336 PolarHBondContact O-ND2 2.82Å; E333-N336 PolarHBondContact O-N 3.22Å; R334-N336 VanDerWaalsContact C-N 3.33Å; R334-N336 PolarHBondContact O-N 3.21Å; N336-F339 PolarHBondContact O-N 3.29Å; N336-S340 PolarHBondContact O-N 2.73Å
337H95.3Very high93.4Very high74 Ų7450.6 Ų50.634%0.34326%0.259SS..Hα-helixtrans-62.1-50.2177.4-173.381000111.4L327 P328 E333 R334 F335 F339 S340 L341L327-H337 VanDerWaalsContact CD2-CD2 3.47Å; L327-H337 WeakPolarHBondContact CD2-CD2 3.37Å; P328-H337 HydrophobicContact CG-CB 4.32Å; E333-H337 WeakPolarHBondContact O-CB 3.42Å; E333-H337 PolarHBondContact O-N 3.33Å; R334-H337 PolarHBondContact O-N 3.11Å; F335-H337 VanDerWaalsContact C-N 3.34Å; F335-H337 PolarHBondContact O-N 3.1Å; H337-F339 VanDerWaalsContact C-N 3.32Å; H337-F339 PolarHBondContact O-N 3.04Å; H337-S340 WeakPolarHBondContact O-CB 3.35Å; H337-S340 PolarHBondContact O-N 3.45Å; H337-S340 PolarHBondContact O-OG 3.11Å; H337-L341 PolarHBondContact O-N 3.07Å; H337-L341 VanDerWaalsContact O-N 3.11Å
338L96Very high93.3Very high0 Ų055.9 Ų55.90%029%0.287CS..Hα-helixtrans-57.8-41.8176.7-71171.2000112.6L322 L327 R334 F335 S340 L341 R342 W345 I350 Y353 I354L322-L338 HydrophobicContact CD2-CD2 4.4Å; L327-L338 HydrophobicContact CD1-CD2 3.82Å; L327-L338 HydrophobicContact CD1-CG 4.37Å; L327-L338 HydrophobicContact CD2-CD2 4.08Å; R334-L338 HydrophobicContact CG-CD1 3.98Å; R334-L338 HydrophobicContact CG-CG 4.33Å; R334-L338 WeakPolarHBondContact O-CB 3.32Å; R334-L338 WeakPolarHBondContact O-CG 3.31Å; R334-L338 PolarHBondContact O-N 3.05Å; F335-L338 PolarHBondContact O-N 3.35Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 3Å; L338-L341 PolarHBondContact O-N 2.75Å; L338-R342 PolarHBondContact O-N 3.41Å; L338-R342 VanDerWaalsContact O-N 3.1Å; L338-W345 HydrophobicContact CB-CZ2 4.31Å; L338-W345 HydrophobicContact CD2-CH2 4.15Å; L338-W345 HydrophobicContact CD2-CZ2 4.11Å; L338-W345 WeakPolarHBondContact O-CZ2 3.5Å; L338-W345 PolarHBondContact O-NE1 2.66Å; L338-I350 HydrophobicContact CD1-CD1 4.47Å; L338-I350 HydrophobicContact CD1-CG1 4.19Å; L338-Y353 HydrophobicContact CD2-CG 4.13Å; L338-I354 HydrophobicContact CD1-CG2 3.71Å
339F95.6Very high93.4Very high9 Ų957.4 Ų57.44%0.03929%0.294CS..Hα-helixtrans-73-20.1177.5-65.9-43.8000113.9F335 N336 H337 R342 W345 I350 A372 S385 V389F335-F339 HydrophobicContact CB-CD2 4.42Å; F335-F339 HydrophobicContact CB-CE2 4.15Å; F335-F339 AromaticContact CD1-CE2 3.66Å; F335-F339 HydrophobicContact CD1-CE2 3.66Å; F335-F339 AromaticContact CD1-CZ 3.83Å; F335-F339 HydrophobicContact CD1-CZ 3.83Å; F335-F339 HydrophobicContact CE1-CZ 4.4Å; F335-F339 HydrophobicContact CG-CE2 4.37Å; F335-F339 WeakPolarHBondContact O-CB 3.31Å; F335-F339 WeakPolarHBondContact O-CD2 3.4Å; F335-F339 WeakPolarHBondContact O-CG 3.19Å; F335-F339 PolarHBondContact O-N 3.06Å; N336-F339 PolarHBondContact O-N 3.29Å; H337-F339 VanDerWaalsContact C-N 3.32Å; H337-F339 PolarHBondContact O-N 3.04Å; F339-R342 CarbonylContact C-O 3.45Å; F339-R342 WeakPolarHBondContact CA-O 3.45Å; F339-R342 CarbonylContact O-C 3.53Å; F339-W345 AromaticContact CD1-CD1 3.71Å; F339-W345 AromaticContact CE1-CD1 3.84Å; F339-I350 HydrophobicContact CE1-CD1 3.97Å; F339-I350 HydrophobicContact CZ-CD1 4.14Å; F339-A372 HydrophobicContact CE2-CB 4.08Å; F339-A372 HydrophobicContact CZ-CB 3.64Å; F339-S385 VanDerWaalsContact CD2-CA 3.47Å; F339-V389 HydrophobicContact CB-CG2 4.1Å
340S93.6Very high93.7Very high71 Ų7154 Ų5450%0.49728%0.278SS..Hα-helixtrans-75.5-35.9171.2810000112N336 H337 L338N336-S340 PolarHBondContact O-N 2.73Å; H337-S340 WeakPolarHBondContact O-CB 3.35Å; H337-S340 PolarHBondContact O-N 3.45Å; H337-S340 PolarHBondContact O-OG 3.11Å; L338-S340 VanDerWaalsContact C-N 3.29Å; L338-S340 PolarHBondContact O-N 3Å
341L91.9Very high93.9Very high78 Ų7851.8 Ų51.841%0.40827%0.267SS..Hα-helixtrans-70.1-37.8175.5-65.5175.3000112.5L322 H337 L338L322-L341 HydrophobicContact CD1-CD1 3.55Å; L322-L341 HydrophobicContact CD2-CD1 3.96Å; L322-L341 HydrophobicContact CG-CD1 4.43Å; H337-L341 PolarHBondContact O-N 3.07Å; H337-L341 VanDerWaalsContact O-N 3.11Å; L338-L341 PolarHBondContact O-N 2.75Å
342R92Very high94.1Very high45 Ų4552 Ų5217%0.1727%0.269CS..  trans-149.7125.7177.9171.9-170.2-61.7-167.3-4.4109.7V310 L338 F339 K344 W345 D349V310-R342 VanDerWaalsContact C-NH2 3.33Å; V310-R342 PolarHBondContact O-NH2 2.82Å; L338-R342 PolarHBondContact O-N 3.41Å; L338-R342 VanDerWaalsContact O-N 3.1Å; F339-R342 CarbonylContact C-O 3.45Å; F339-R342 WeakPolarHBondContact CA-O 3.45Å; F339-R342 CarbonylContact O-C 3.53Å; R342-K344 VanDerWaalsContact C-N 3.33Å; R342-K344 WeakPolarHBondContact CD-O 3.42Å; R342-K344 VanDerWaalsContact CG-O 3.27Å; R342-K344 WeakPolarHBondContact CG-O 3.11Å; R342-K344 PolarHBondContact O-N 2.85Å; R342-W345 HydrophobicContact CB-CZ2 3.78Å; R342-W345 HydrophobicContact CG-CD2 4.48Å; R342-W345 PolarHBondContact O-NE1 3.31Å; R342-D349 IonicContact NH1-OD2 3.28Å; R342-D349 PolarHBondContact NH1-OD2 2.8Å
343E91.2Very high94.3Very high132 Ų13249.1 Ų49.162%0.61725%0.25SS*.SBendtrans-63.6-37.1-174.9-166.2-160.7144.600113N384E343-N384 WeakPolarHBondContact O-CB 3.28Å
344K92.6Very high94.3Very high68 Ų6843.4 Ų43.430%0.29622%0.224SC..  trans-132.2125.9-173.5-64.6176.5-173.3170.40111.2R342 Q377 V382 F383 N384R342-K344 VanDerWaalsContact C-N 3.33Å; R342-K344 WeakPolarHBondContact CD-O 3.42Å; R342-K344 VanDerWaalsContact CG-O 3.27Å; R342-K344 WeakPolarHBondContact CG-O 3.11Å; R342-K344 PolarHBondContact O-N 2.85Å; K344-Q377 VanDerWaalsContact CD-OE1 3.28Å; K344-V382 HydrophobicContact CB-CB 4.34Å; K344-V382 HydrophobicContact CB-CG2 4.38Å; K344-V382 HydrophobicContact CD-CG2 4.32Å; K344-F383 WeakPolarHBondContact CA-O 3.42Å; K344-N384 HydrophobicContact CG-CB 4.39Å
345W95.2Very high94.2Very high0 Ų049 Ų490%025%0.25CS..BIsolated β-bridgetrans-118.7142.8-179.5-66.174.4000111.6L309 L322 L338 F339 R342 D349 I350 Y353 V382 F383L309-W345 HydrophobicContact CD1-CH2 3.33Å; L309-W345 HydrophobicContact CD1-CZ2 4.26Å; L309-W345 HydrophobicContact CD1-CZ3 3.56Å; L309-W345 HydrophobicContact CD2-CH2 4.3Å; L309-W345 HydrophobicContact CG-CH2 4.45Å; L322-W345 HydrophobicContact CD2-CH2 4.14Å; L338-W345 HydrophobicContact CB-CZ2 4.31Å; L338-W345 HydrophobicContact CD2-CH2 4.15Å; L338-W345 HydrophobicContact CD2-CZ2 4.11Å; L338-W345 WeakPolarHBondContact O-CZ2 3.5Å; L338-W345 PolarHBondContact O-NE1 2.66Å; F339-W345 AromaticContact CD1-CD1 3.71Å; F339-W345 AromaticContact CE1-CD1 3.84Å; R342-W345 HydrophobicContact CB-CZ2 3.78Å; R342-W345 HydrophobicContact CG-CD2 4.48Å; R342-W345 PolarHBondContact O-NE1 3.31Å; W345-D349 HydrophobicContact CE3-CB 3.78Å; W345-D349 HydrophobicContact CZ3-CB 4.28Å; W345-I350 HydrophobicContact CB-CB 3.87Å; W345-I350 HydrophobicContact CB-CD1 4.15Å; W345-I350 HydrophobicContact CB-CG1 4.45Å; W345-I350 HydrophobicContact CB-CG2 4.5Å; W345-I350 HydrophobicContact CD2-CB 4.2Å; W345-I350 HydrophobicContact CD2-CD1 4.46Å; W345-I350 HydrophobicContact CD2-CG1 4.33Å; W345-I350 HydrophobicContact CE3-CB 3.97Å; W345-I350 HydrophobicContact CE3-CG1 4.37Å; W345-I350 HydrophobicContact CG-CB 4.21Å; W345-I350 HydrophobicContact CG-CD1 4.1Å; W345-I350 HydrophobicContact CG-CG1 4.39Å; W345-Y353 HydrophobicContact CH2-CD2 4.31Å; W345-Y353 HydrophobicContact CH2-CE2 4.3Å; W345-Y353 AromaticContact CZ3-CD2 3.93Å; W345-Y353 HydrophobicContact CZ3-CD2 3.93Å; W345-Y353 AromaticContact CZ3-CE2 3.93Å; W345-Y353 HydrophobicContact CZ3-CE2 3.93Å; W345-V382 CarbonylContact O-C 3.14Å; W345-V382 WeakPolarHBondContact O-CA 3.38Å; W345-F383 PolarHBondContact N-O 2.62Å; W345-F383 PolarHBondContact O-N 3.09Å
346T93.6Very high94Very high36 Ų3652.3 Ų52.322%0.22127%0.268CS..  trans-75.3164.2163.162.10000109.7D348 D349 I350 V380T346-D348 VanDerWaalsContact C-N 3.32Å; T346-D349 PolarHBondContact O-N 3.4Å; T346-D349 VanDerWaalsContact OG1-CB 3.25Å; T346-D349 WeakPolarHBondContact OG1-CB 3.46Å; T346-D349 PolarHBondContact OG1-N 2.98Å; T346-D349 VanDerWaalsContact OG1-N 3.14Å; T346-D349 PolarHBondContact OG1-OD1 3.17Å; T346-D349 PolarHBondContact OG1-OD2 3.49Å; T346-I350 WeakPolarHBondContact O-CG2 3.37Å; T346-I350 PolarHBondContact O-N 3.44Å; T346-V380 HydrophobicContact CG2-CG1 4.09Å
347E94.2Very high93.8Very high80 Ų8049 Ų4937%0.37425%0.25SS..Hα-helixtrans-60.3-44174.4-162160.9156.900111.5D349 I350 T351 L368 F383E347-D349 VanDerWaalsContact C-N 3.33Å; E347-D349 PolarHBondContact O-N 3.29Å; E347-I350 PolarHBondContact O-N 3.14Å; E347-T351 WeakPolarHBondContact O-CB 3.45Å; E347-T351 PolarHBondContact O-N 3.43Å; E347-T351 PolarHBondContact O-OG1 3.06Å; E347-L368 HydrophobicContact CG-CD1 4.03Å; E347-F383 HydrophobicContact CB-CE2 3.91Å; E347-F383 HydrophobicContact CG-CE2 4.25Å
348D92.3Very high93.4Very high112 Ų11247 Ų4760%0.59924%0.244SC*.Hα-helixtrans-64.9-35.6-179.1-63.5-30.6000112.7T346 P352T346-D348 VanDerWaalsContact C-N 3.32Å; D348-P352 WeakPolarHBondContact O-CD 3.47Å
349D93.1Very high92.6Very high64 Ų6448.6 Ų48.634%0.34226%0.261SS..Hα-helixtrans-76.8-38.6-179-73.2-1.3000112R342 W345 T346 E347 Y353R342-D349 IonicContact NH1-OD2 3.28Å; R342-D349 PolarHBondContact NH1-OD2 2.8Å; W345-D349 HydrophobicContact CE3-CB 3.78Å; W345-D349 HydrophobicContact CZ3-CB 4.28Å; T346-D349 PolarHBondContact O-N 3.4Å; T346-D349 VanDerWaalsContact OG1-CB 3.25Å; T346-D349 WeakPolarHBondContact OG1-CB 3.46Å; T346-D349 PolarHBondContact OG1-N 2.98Å; T346-D349 VanDerWaalsContact OG1-N 3.14Å; T346-D349 PolarHBondContact OG1-OD1 3.17Å; T346-D349 PolarHBondContact OG1-OD2 3.49Å; E347-D349 VanDerWaalsContact C-N 3.33Å; E347-D349 PolarHBondContact O-N 3.29Å; D349-Y353 VanDerWaalsContact O-CD2 3.27Å; D349-Y353 WeakPolarHBondContact O-CD2 3.25Å; D349-Y353 WeakPolarHBondContact O-CE2 2.87Å
350I95.6Very high91.6Very high0 Ų055.4 Ų55.40%029%0.292CS..Hα-helixtrans-84.1-31.1-175.9-162166.3000112.8F335 L338 F339 W345 T346 E347 P352 Y353 I354 L368F335-I350 HydrophobicContact CD1-CD1 4.34Å; F335-I350 HydrophobicContact CE1-CD1 4.03Å; L338-I350 HydrophobicContact CD1-CD1 4.47Å; L338-I350 HydrophobicContact CD1-CG1 4.19Å; F339-I350 HydrophobicContact CE1-CD1 3.97Å; F339-I350 HydrophobicContact CZ-CD1 4.14Å; W345-I350 HydrophobicContact CB-CB 3.87Å; W345-I350 HydrophobicContact CB-CD1 4.15Å; W345-I350 HydrophobicContact CB-CG1 4.45Å; W345-I350 HydrophobicContact CB-CG2 4.5Å; W345-I350 HydrophobicContact CD2-CB 4.2Å; W345-I350 HydrophobicContact CD2-CD1 4.46Å; W345-I350 HydrophobicContact CD2-CG1 4.33Å; W345-I350 HydrophobicContact CE3-CB 3.97Å; W345-I350 HydrophobicContact CE3-CG1 4.37Å; W345-I350 HydrophobicContact CG-CB 4.21Å; W345-I350 HydrophobicContact CG-CD1 4.1Å; W345-I350 HydrophobicContact CG-CG1 4.39Å; T346-I350 WeakPolarHBondContact O-CG2 3.37Å; T346-I350 PolarHBondContact O-N 3.44Å; E347-I350 PolarHBondContact O-N 3.14Å; I350-P352 VanDerWaalsContact C-CD 3.5Å; I350-Y353 WeakPolarHBondContact O-CB 3.3Å; I350-Y353 PolarHBondContact O-N 3.36Å; I350-I354 HydrophobicContact CG1-CD1 4.48Å; I350-I354 HydrophobicContact CG1-CG2 4.29Å; I350-I354 HydrophobicContact CG2-CD1 4.42Å; I350-I354 PolarHBondContact O-N 3.23Å; I350-L368 HydrophobicContact CD1-CD2 4.11Å; I350-L368 HydrophobicContact CG2-CD1 4.22Å; I350-L368 HydrophobicContact CG2-CD2 3.72Å
351T95.9Very high90.9Very high32 Ų3262 Ų6220%0.19631%0.312CS..Hα-helixtrans-51.6-47.3-175.2-72.70000113.5E347 Y353 I354 Q355 T364E347-T351 WeakPolarHBondContact O-CB 3.45Å; E347-T351 PolarHBondContact O-N 3.43Å; E347-T351 PolarHBondContact O-OG1 3.06Å; T351-Y353 PolarHBondContact O-N 2.6Å; T351-I354 PolarHBondContact O-N 2.85Å; T351-I354 VanDerWaalsContact O-N 3.12Å; T351-Q355 WeakPolarHBondContact O-CB 3.28Å; T351-Q355 PolarHBondContact O-N 2.83Å; T351-T364 HydrophobicContact CG2-CG2 4.22Å
352P95.8Very high90.6Very high24 Ų2460.9 Ų60.916%0.15631%0.305CS..Hα-helixtrans-57.6-23.1178.8-26.335.6000114.6K305 V324 D348 I350K305-P352 HydrophobicContact CB-CB 3.98Å; K305-P352 HydrophobicContact CB-CG 3.76Å; K305-P352 HydrophobicContact CD-CG 4.02Å; K305-P352 HydrophobicContact CG-CG 3.86Å; V324-P352 VanDerWaalsContact CG2-O 3.23Å; V324-P352 WeakPolarHBondContact CG2-O 3.12Å; D348-P352 WeakPolarHBondContact O-CD 3.47Å; I350-P352 VanDerWaalsContact C-CD 3.5Å
353Y96.2Very high90.6Very high5 Ų563.2 Ų63.22%0.0232%0.324CS..Hα-helixtrans-94.1-9.5-176.8-61.8-69.9000114.5A308 L322 V324 L327 R334 L338 W345 D349 I350 T351A308-Y353 PolarHBondContact O-OH 3.26Å; L322-Y353 HydrophobicContact CB-CE1 4.32Å; L322-Y353 HydrophobicContact CD2-CD1 4.3Å; L322-Y353 HydrophobicContact CD2-CE1 3.79Å; L322-Y353 HydrophobicContact CD2-CE2 4.29Å; L322-Y353 HydrophobicContact CG-CD1 4.37Å; L322-Y353 HydrophobicContact CG-CE1 3.74Å; L322-Y353 VanDerWaalsContact O-CE1 3.28Å; L322-Y353 WeakPolarHBondContact O-CE1 3.45Å; V324-Y353 HydrophobicContact CG2-CD1 3.76Å; V324-Y353 HydrophobicContact CG2-CE1 4.28Å; L327-Y353 HydrophobicContact CD1-CD1 3.65Å; L327-Y353 HydrophobicContact CD1-CG 4.1Å; R334-Y353 WeakPolarHBondContact CD-O 3.33Å; R334-Y353 PolarHBondContact NH1-O 3.04Å; R334-Y353 VanDerWaalsContact NH1-O 3.07Å; L338-Y353 HydrophobicContact CD2-CG 4.13Å; W345-Y353 HydrophobicContact CH2-CD2 4.31Å; W345-Y353 HydrophobicContact CH2-CE2 4.3Å; W345-Y353 AromaticContact CZ3-CD2 3.93Å; W345-Y353 HydrophobicContact CZ3-CD2 3.93Å; W345-Y353 AromaticContact CZ3-CE2 3.93Å; W345-Y353 HydrophobicContact CZ3-CE2 3.93Å; D349-Y353 VanDerWaalsContact O-CD2 3.27Å; D349-Y353 WeakPolarHBondContact O-CD2 3.25Å; D349-Y353 WeakPolarHBondContact O-CE2 2.87Å; I350-Y353 WeakPolarHBondContact O-CB 3.3Å; I350-Y353 PolarHBondContact O-N 3.36Å; T351-Y353 PolarHBondContact O-N 2.6Å
354I95.4Very high90.7Very high0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-128.7-3.6-176.465.7169.6000113.2F335 L338 I350 T351 D356 L357 T364 L368F335-I354 HydrophobicContact CE1-CD1 4.2Å; F335-I354 HydrophobicContact CE1-CG2 4.24Å; F335-I354 HydrophobicContact CE2-CG2 4.33Å; F335-I354 HydrophobicContact CZ-CB 4.4Å; F335-I354 HydrophobicContact CZ-CD1 3.74Å; F335-I354 HydrophobicContact CZ-CG2 3.99Å; L338-I354 HydrophobicContact CD1-CG2 3.71Å; I350-I354 HydrophobicContact CG1-CD1 4.48Å; I350-I354 HydrophobicContact CG1-CG2 4.29Å; I350-I354 HydrophobicContact CG2-CD1 4.42Å; I350-I354 PolarHBondContact O-N 3.23Å; T351-I354 PolarHBondContact O-N 2.85Å; T351-I354 VanDerWaalsContact O-N 3.12Å; I354-D356 VanDerWaalsContact C-N 3.32Å; I354-D356 PolarHBondContact O-N 3.33Å; I354-L357 HydrophobicContact CB-CD1 4.36Å; I354-L357 HydrophobicContact CG2-CD1 4.42Å; I354-L357 WeakPolarHBondContact O-CA 3.49Å; I354-L357 VanDerWaalsContact O-CB 3.25Å; I354-L357 WeakPolarHBondContact O-CB 3.19Å; I354-L357 PolarHBondContact O-N 3.37Å; I354-T364 HydrophobicContact CG1-CG2 4.39Å; I354-L368 HydrophobicContact CD1-CD1 4.38Å; I354-L368 HydrophobicContact CD1-CD2 3.87Å; I354-L368 HydrophobicContact CD1-CG 3.85Å
355Q93.4Very high90.7Very high123 Ų12356.3 Ų56.358%0.57530%0.302SS*.G310 helixtrans-65-36.7-177.1-178.2175.13.800112.2T351 L357 C358 T364T351-Q355 WeakPolarHBondContact O-CB 3.28Å; T351-Q355 PolarHBondContact O-N 2.83Å; Q355-L357 PolarHBondContact O-N 3.29Å; Q355-C358 WeakPolarHBondContact O-CB 3.37Å; Q355-C358 PolarHBondContact O-N 3.03Å; Q355-T364 HydrophobicContact CB-CG2 4.21Å; Q355-T364 HydrophobicContact CG-CG2 4.46Å
356D90.3Very high90.6Very high72 Ų7258.3 Ų58.339%0.38532%0.319SS..G310 helixtrans-66.2-16.3172.565-48.8000112.5R128 R334 I354 C358R128-D356 WeakPolarHBondContact CD-O 3.36Å; R128-D356 PolarHBondContact NE-O 3.38Å; R334-D356 IonicContact CZ-OD1 2.71Å; R334-D356 IonicContact CZ-OD2 3.86Å; R334-D356 IonicContact NH1-OD1 3.11Å; R334-D356 PolarHBondContact NH1-OD1 2.79Å; R334-D356 IonicContact NH1-OD2 2.85Å; R334-D356 PolarHBondContact NH1-OD2 3.25Å; R334-D356 IonicContact NH2-OD2 3.24Å; R334-D356 PolarHBondContact NH2-OD2 3Å; R334-D356 VanDerWaalsContact NH2-OD2 3.12Å; I354-D356 VanDerWaalsContact C-N 3.32Å; I354-D356 PolarHBondContact O-N 3.33Å; D356-C358 VanDerWaalsContact C-N 3.27Å; D356-C358 PolarHBondContact O-N 2.81Å
357L90.5Very high90.6Very high4 Ų456.6 Ų56.62%0.02131%0.308CS..G310 helixtrans-82.12.5170.1-56.1179.5000113.7R128 T331 R334 I354 Q355 L367R128-L357 VanDerWaalsContact CZ-CA 3.47Å; R128-L357 PolarHBondContact NH1-O 3.43Å; R128-L357 PolarHBondContact NH2-O 3.2Å; T331-L357 HydrophobicContact CG2-CD1 4.15Å; R334-L357 HydrophobicContact CB-CD1 4.17Å; R334-L357 HydrophobicContact CG-CD1 4.34Å; I354-L357 HydrophobicContact CB-CD1 4.36Å; I354-L357 HydrophobicContact CG2-CD1 4.42Å; I354-L357 WeakPolarHBondContact O-CA 3.49Å; I354-L357 VanDerWaalsContact O-CB 3.25Å; I354-L357 WeakPolarHBondContact O-CB 3.19Å; I354-L357 PolarHBondContact O-N 3.37Å; Q355-L357 PolarHBondContact O-N 3.29Å; L357-L367 HydrophobicContact CB-CD1 3.84Å
358C87.9Confident90.7Very high32 Ų3252.9 Ų52.922%0.21629%0.291CS..  trans-80.6132.2173.1-71.10000111.9R128 Q355 D356 Q362 T364R128-C358 PolarHBondContact NH1-O 3.41Å; Q355-C358 WeakPolarHBondContact O-CB 3.37Å; Q355-C358 PolarHBondContact O-N 3.03Å; D356-C358 VanDerWaalsContact C-N 3.27Å; D356-C358 PolarHBondContact O-N 2.81Å; C358-Q362 WeakPolarHBondContact CA-O 3.38Å; C358-Q362 WeakPolarHBondContact CB-O 3.47Å; C358-Q362 PolarHBondContact SG-O 3Å; C358-Q362 VanDerWaalsContact SG-O 3.33Å; C358-T364 WeakPolarHBondContact SG-CG2 3.27Å; C358-T364 PolarHBondContact SG-N 2.66Å
359G78.3Confident90.7Very high33 Ų3352.2 Ų52.234%0.3429%0.291SS..  trans-101177.2170.700000109.9R128 K361 Q362R128-G359 VanDerWaalsContact NH1-N 3.13Å; G359-K361 PolarHBondContact O-N 3.22Å; G359-Q362 PolarHBondContact O-N 3.34Å
360E73.8Confident90.7Very high152 Ų15254.7 Ų54.771%0.7130%0.299SS*.THydrogen-bonded Turntrans-52.3-34.4-175.8-66.8-176.6161.900114.4K126K126-E360 VanDerWaalsContact CE-OE1 3.24Å; K126-E360 WeakPolarHBondContact CE-OE1 3.26Å; K126-E360 IonicContact NZ-OE1 3.78Å; K126-E360 PolarHBondContact NZ-OE1 3.08Å
361K79.7Confident90.6Very high210 Ų21057.3 Ų57.391%0.91331%0.309SS*.THydrogen-bonded Turntrans-105.75.5-177.3-61-178.3-178.2175.90113.9G359G359-K361 PolarHBondContact O-N 3.22Å
362Q85.4Confident90.5Very high55 Ų5556 Ų5626%0.25730%0.301SS..  trans-129.2113.9-170-172.7176.242.500112C358 G359 A366 L367C358-Q362 WeakPolarHBondContact CA-O 3.38Å; C358-Q362 WeakPolarHBondContact CB-O 3.47Å; C358-Q362 PolarHBondContact SG-O 3Å; C358-Q362 VanDerWaalsContact SG-O 3.33Å; G359-Q362 PolarHBondContact O-N 3.34Å; Q362-A366 HydrophobicContact CG-CB 4.15Å; Q362-L367 HydrophobicContact CG-CD2 4.13Å; Q362-L367 HydrophobicContact CG-CG 4.08Å; Q362-L367 VanDerWaalsContact NE2-CD2 3.35Å
363T92.2Very high90.5Very high94 Ų9462.3 Ų62.358%0.57732%0.322SS*.  trans-84.1165.2176.164.80000112.4G365 A366 L367T363-G365 VanDerWaalsContact C-N 3.29Å; T363-G365 PolarHBondContact O-N 3.42Å; T363-A366 WeakPolarHBondContact O-CB 3.13Å; T363-A366 PolarHBondContact O-N 3.49Å; T363-A366 VanDerWaalsContact O-N 3.11Å; T363-A366 PolarHBondContact OG1-N 2.77Å; T363-L367 PolarHBondContact O-N 2.94Å
364T93.3Very high90.4Very high30 Ų3065.5 Ų65.518%0.18435%0.345CS..Hα-helixtrans-59.5-40.3173.951.10000111.4T351 I354 Q355 C358 A366 L367 L368T351-T364 HydrophobicContact CG2-CG2 4.22Å; I354-T364 HydrophobicContact CG1-CG2 4.39Å; Q355-T364 HydrophobicContact CB-CG2 4.21Å; Q355-T364 HydrophobicContact CG-CG2 4.46Å; C358-T364 WeakPolarHBondContact SG-CG2 3.27Å; C358-T364 PolarHBondContact SG-N 2.66Å; T364-A366 VanDerWaalsContact C-N 3.32Å; T364-A366 PolarHBondContact O-N 2.82Å; T364-L367 WeakPolarHBondContact O-CB 3.43Å; T364-L367 PolarHBondContact O-N 3.03Å; T364-L367 VanDerWaalsContact O-N 3.17Å; T364-L368 WeakPolarHBondContact O-CG 3.49Å; T364-L368 PolarHBondContact O-N 3.42Å
365G93.2Very high90.3Very high25 Ų2567.5 Ų67.526%0.25836%0.359SS..Hα-helixtrans-60.5-37.6173.600000113.5T363 T369T363-G365 VanDerWaalsContact C-N 3.29Å; T363-G365 PolarHBondContact O-N 3.42Å; G365-T369 WeakPolarHBondContact O-CB 3.45Å; G365-T369 PolarHBondContact O-N 2.84Å; G365-T369 PolarHBondContact O-OG1 3.33Å
366A92.9Very high90.4Very high42 Ų4267.9 Ų67.935%0.34736%0.362SS..Hα-helixtrans-68.1-39.5174.200000112Q362 T363 T364 T369 K370Q362-A366 HydrophobicContact CG-CB 4.15Å; T363-A366 WeakPolarHBondContact O-CB 3.13Å; T363-A366 PolarHBondContact O-N 3.49Å; T363-A366 VanDerWaalsContact O-N 3.11Å; T363-A366 PolarHBondContact OG1-N 2.77Å; T364-A366 VanDerWaalsContact C-N 3.32Å; T364-A366 PolarHBondContact O-N 2.82Å; A366-T369 PolarHBondContact O-N 2.93Å; A366-K370 WeakPolarHBondContact O-CB 3.12Å; A366-K370 PolarHBondContact O-N 3.14Å
367L93.9Very high90.3Very high0 Ų068.1 Ų68.10%036%0.361CS..Hα-helixtrans-60.4-50.8171.9-71.1172.2000111.3T331 F335 L357 Q362 T363 T364 T369 K370 Y371T331-L367 HydrophobicContact CG2-CD2 4.08Å; F335-L367 HydrophobicContact CE2-CB 4.22Å; F335-L367 HydrophobicContact CZ-CB 4.1Å; L357-L367 HydrophobicContact CB-CD1 3.84Å; Q362-L367 HydrophobicContact CG-CD2 4.13Å; Q362-L367 HydrophobicContact CG-CG 4.08Å; Q362-L367 VanDerWaalsContact NE2-CD2 3.35Å; T363-L367 PolarHBondContact O-N 2.94Å; T364-L367 WeakPolarHBondContact O-CB 3.43Å; T364-L367 PolarHBondContact O-N 3.03Å; T364-L367 VanDerWaalsContact O-N 3.17Å; L367-T369 VanDerWaalsContact C-N 3.29Å; L367-T369 PolarHBondContact O-N 2.85Å; L367-K370 PolarHBondContact O-N 3.42Å; L367-K370 VanDerWaalsContact O-N 3.07Å; L367-Y371 HydrophobicContact CB-CD2 4.49Å; L367-Y371 HydrophobicContact CD2-CD2 4.04Å; L367-Y371 HydrophobicContact CD2-CE2 3.78Å; L367-Y371 VanDerWaalsContact O-CD2 3.3Å; L367-Y371 WeakPolarHBondContact O-CD2 3.49Å; L367-Y371 PolarHBondContact O-N 3.42Å
368L95Very high90.2Very high1 Ų175.7 Ų75.71%0.00540%0.402CS..Hα-helixtrans-59-41.9179.4-71.9167.6000111.7F335 E347 I350 I354 T364 K370 A372 F383F335-L368 HydrophobicContact CE1-CD2 3.91Å; F335-L368 HydrophobicContact CZ-CD2 4.33Å; E347-L368 HydrophobicContact CG-CD1 4.03Å; I350-L368 HydrophobicContact CD1-CD2 4.11Å; I350-L368 HydrophobicContact CG2-CD1 4.22Å; I350-L368 HydrophobicContact CG2-CD2 3.72Å; I354-L368 HydrophobicContact CD1-CD1 4.38Å; I354-L368 HydrophobicContact CD1-CD2 3.87Å; I354-L368 HydrophobicContact CD1-CG 3.85Å; T364-L368 WeakPolarHBondContact O-CG 3.49Å; T364-L368 PolarHBondContact O-N 3.42Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 2.76Å; L368-A372 WeakPolarHBondContact O-CA 3.21Å; L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.35Å; L368-A372 PolarHBondContact O-N 2.9Å; L368-F383 HydrophobicContact CB-CD1 4Å; L368-F383 HydrophobicContact CB-CE1 3.75Å; L368-F383 HydrophobicContact CB-CZ 4.25Å; L368-F383 HydrophobicContact CD1-CD2 4.37Å; L368-F383 HydrophobicContact CD1-CE1 4.23Å; L368-F383 HydrophobicContact CD1-CE2 3.99Å; L368-F383 HydrophobicContact CD1-CZ 3.9Å; L368-F383 HydrophobicContact CD2-CB 4.3Å; L368-F383 HydrophobicContact CD2-CD1 4.08Å; L368-F383 HydrophobicContact CD2-CD2 4.29Å; L368-F383 HydrophobicContact CD2-CE1 4.47Å; L368-F383 HydrophobicContact CD2-CG 3.97Å; L368-F383 HydrophobicContact CG-CD1 4.46Å; L368-F383 HydrophobicContact CG-CE1 4.38Å
369T93.1Very high90.2Very high99 Ų9977.2 Ų77.261%0.60742%0.423SS*.Hα-helixtrans-63.8-38.4176.9-57.90000111.6G365 A366 L367 R386G365-T369 WeakPolarHBondContact O-CB 3.45Å; G365-T369 PolarHBondContact O-N 2.84Å; G365-T369 PolarHBondContact O-OG1 3.33Å; A366-T369 PolarHBondContact O-N 2.93Å; L367-T369 VanDerWaalsContact C-N 3.29Å; L367-T369 PolarHBondContact O-N 2.85Å; T369-R386 PolarHBondContact O-NH2 3.39Å
370K93.1Very high90.9Very high116 Ų11679.4 Ų79.450%0.50443%0.429SS..Hα-helixtrans-78.2-41.1-177.2-173.7175.3176.6-1650113.2A366 L367 L368 R386A366-K370 WeakPolarHBondContact O-CB 3.12Å; A366-K370 PolarHBondContact O-N 3.14Å; L367-K370 PolarHBondContact O-N 3.42Å; L367-K370 VanDerWaalsContact O-N 3.07Å; L368-K370 VanDerWaalsContact C-N 3.31Å; L368-K370 PolarHBondContact O-N 2.76Å; K370-R386 PolarHBondContact O-NE 2.85Å; K370-R386 PolarHBondContact O-NH1 2.91Å
371Y93.3Very high91.9Very high55 Ų5577 Ų7722%0.21642%0.417CS..Hα-helixtrans-107.9-14.4-169-62.6-77000114.5T331 V332 F335 L367T331-Y371 HydrophobicContact CG2-CD1 4.35Å; T331-Y371 HydrophobicContact CG2-CD2 3.73Å; T331-Y371 HydrophobicContact CG2-CE1 4.09Å; T331-Y371 HydrophobicContact CG2-CE2 3.45Å; T331-Y371 VanDerWaalsContact CG2-CE2 3.45Å; T331-Y371 HydrophobicContact CG2-CG 4.19Å; V332-Y371 HydrophobicContact CG2-CD1 3.96Å; V332-Y371 HydrophobicContact CG2-CE1 3.6Å; F335-Y371 HydrophobicContact CD2-CD2 4.23Å; F335-Y371 AromaticContact CD2-CG 3.92Å; F335-Y371 HydrophobicContact CD2-CG 3.92Å; F335-Y371 AromaticContact CE2-CD2 3.93Å; F335-Y371 HydrophobicContact CE2-CD2 3.93Å; F335-Y371 HydrophobicContact CE2-CG 4.05Å; L367-Y371 HydrophobicContact CB-CD2 4.49Å; L367-Y371 HydrophobicContact CD2-CD2 4.04Å; L367-Y371 HydrophobicContact CD2-CE2 3.78Å; L367-Y371 VanDerWaalsContact O-CD2 3.3Å; L367-Y371 WeakPolarHBondContact O-CD2 3.49Å; L367-Y371 PolarHBondContact O-N 3.42Å
372A95Very high92.6Very high4 Ų467.4 Ų67.43%0.03338%0.375CS..EExtended strand (participates in β ladder)trans-119.2169.9178.700000112.5F339 L368 F383 N384 R386F339-A372 HydrophobicContact CE2-CB 4.08Å; F339-A372 HydrophobicContact CZ-CB 3.64Å; L368-A372 WeakPolarHBondContact O-CA 3.21Å; L368-A372 VanDerWaalsContact O-CB 3.25Å; L368-A372 WeakPolarHBondContact O-CB 3.35Å; L368-A372 PolarHBondContact O-N 2.9Å; A372-F383 HydrophobicContact CB-CB 4.07Å; A372-F383 HydrophobicContact CB-CD1 4.18Å; A372-N384 WeakPolarHBondContact CA-O 3.42Å; A372-R386 PolarHBondContact O-NE 2.87Å
373R94.7Very high93.2Very high156 Ų15665.1 Ų65.159%0.58937%0.365SS*.EExtended strand (participates in β ladder)trans-112.9134.1167.1175.9-177.6-67.9-174.12.2108.4F383 N384 R386R373-F383 WeakPolarHBondContact O-CA 3.5Å; R373-N384 WeakPolarHBondContact CB-OD1 3.3Å; R373-N384 PolarHBondContact N-O 3.01Å; R373-N384 PolarHBondContact O-N 3.37Å; R373-N384 PolarHBondContact O-OD1 2.91Å; R373-N384 VanDerWaalsContact O-OD1 3.14Å; R373-R386 HydrophobicContact CB-CG 4.29Å
374S94.8Very high93.2Very high72 Ų7262 Ų6250%0.50334%0.344SS..EExtended strand (participates in β ladder)trans-92139.817659.70000111.5V382S374-V382 CarbonylContact C-O 3.52Å; S374-V382 VanDerWaalsContact CA-O 3.3Å; S374-V382 WeakPolarHBondContact CA-O 3.39Å
375S93.7Very high93.2Very high43 Ų4361.7 Ų61.730%0.30134%0.344SS..EExtended strand (participates in β ladder)trans-140.517016962.60000110.8V382S375-V382 PolarHBondContact N-O 3.48Å; S375-V382 WeakPolarHBondContact O-CG2 3.33Å; S375-V382 PolarHBondContact O-N 2.8Å; S375-V382 WeakPolarHBondContact OG-CG2 3.47Å
376M94.6Very high92.8Very high130 Ų13067 Ų6764%0.6436%0.356SS*.EExtended strand (participates in β ladder)trans-104129176.3-65.7-63-72.100109.4G379 K381M376-G379 VanDerWaalsContact CE-O 3.22Å; M376-G379 WeakPolarHBondContact CE-O 3.29Å; M376-K381 HydrophobicContact SD-CB 3.98Å
377Q88.9Confident92.2Very high78 Ų7874.7 Ų74.736%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-130.2120.5173.9-173.7174.82600108.8K344 G379 V380 V382K344-Q377 VanDerWaalsContact CD-OE1 3.28Å; Q377-G379 PolarHBondContact O-N 3.25Å; Q377-G379 VanDerWaalsContact O-N 3.14Å; Q377-V380 PolarHBondContact N-O 3.01Å; Q377-V380 PolarHBondContact O-N 3.13Å; Q377-V382 HydrophobicContact CB-CG1 4.26Å; Q377-V382 HydrophobicContact CB-CG2 3.97Å
378N87.5Confident90.8Very high162 Ų16280.8 Ų80.887%0.86642%0.416SS*.THydrogen-bonded Turntrans51.635.9-178.1-57.4-21.9000113.7V380N378-V380 VanDerWaalsContact C-N 3.26Å; N378-V380 PolarHBondContact O-N 2.99Å
379G88.5Confident89Confident65 Ų6583.4 Ų83.467%0.6743%0.431SS*.THydrogen-bonded Turntrans79.9-1.2-17800000115.2M376 Q377M376-G379 VanDerWaalsContact CE-O 3.22Å; M376-G379 WeakPolarHBondContact CE-O 3.29Å; Q377-G379 PolarHBondContact O-N 3.25Å; Q377-G379 VanDerWaalsContact O-N 3.14Å
380V92.2Very high86.9Confident78 Ų7883.3 Ų83.347%0.47344%0.441SS..EExtended strand (participates in β ladder)trans-103.8136.2177-176.80000109.9T346 Q377 N378T346-V380 HydrophobicContact CG2-CG1 4.09Å; Q377-V380 PolarHBondContact N-O 3.01Å; Q377-V380 PolarHBondContact O-N 3.13Å; N378-V380 VanDerWaalsContact C-N 3.26Å; N378-V380 PolarHBondContact O-N 2.99Å
381K94.5Very high84.5Confident103 Ų10387.8 Ų87.845%0.44848%0.478SS..EExtended strand (participates in β ladder)trans-72.9126.5174-174.4-176.3176.4-168.10109.4M376 F383M376-K381 HydrophobicContact SD-CB 3.98Å; K381-F383 HydrophobicContact CD-CZ 4.31Å
382V95.6Very high84.1Confident7 Ų789.4 Ų89.44%0.04249%0.491CS..EExtended strand (participates in β ladder)trans-126.9154.2179.1-62.30000111.2K344 W345 S374 S375 Q377K344-V382 HydrophobicContact CB-CB 4.34Å; K344-V382 HydrophobicContact CB-CG2 4.38Å; K344-V382 HydrophobicContact CD-CG2 4.32Å; W345-V382 CarbonylContact O-C 3.14Å; W345-V382 WeakPolarHBondContact O-CA 3.38Å; S374-V382 CarbonylContact C-O 3.52Å; S374-V382 VanDerWaalsContact CA-O 3.3Å; S374-V382 WeakPolarHBondContact CA-O 3.39Å; S375-V382 PolarHBondContact N-O 3.48Å; S375-V382 WeakPolarHBondContact O-CG2 3.33Å; S375-V382 PolarHBondContact O-N 2.8Å; S375-V382 WeakPolarHBondContact OG-CG2 3.47Å; Q377-V382 HydrophobicContact CB-CG1 4.26Å; Q377-V382 HydrophobicContact CB-CG2 3.97Å
383F96.4Very high83.5Confident7 Ų793.9 Ų93.93%0.03152%0.515CS..EExtended strand (participates in β ladder)trans-115.5137.1-179.7-60.6-88.2000110.5K344 W345 E347 L368 A372 R373 K381K344-F383 WeakPolarHBondContact CA-O 3.42Å; W345-F383 PolarHBondContact N-O 2.62Å; W345-F383 PolarHBondContact O-N 3.09Å; E347-F383 HydrophobicContact CB-CE2 3.91Å; E347-F383 HydrophobicContact CG-CE2 4.25Å; L368-F383 HydrophobicContact CB-CD1 4Å; L368-F383 HydrophobicContact CB-CE1 3.75Å; L368-F383 HydrophobicContact CB-CZ 4.25Å; L368-F383 HydrophobicContact CD1-CD2 4.37Å; L368-F383 HydrophobicContact CD1-CE1 4.23Å; L368-F383 HydrophobicContact CD1-CE2 3.99Å; L368-F383 HydrophobicContact CD1-CZ 3.9Å; L368-F383 HydrophobicContact CD2-CB 4.3Å; L368-F383 HydrophobicContact CD2-CD1 4.08Å; L368-F383 HydrophobicContact CD2-CD2 4.29Å; L368-F383 HydrophobicContact CD2-CE1 4.47Å; L368-F383 HydrophobicContact CD2-CG 3.97Å; L368-F383 HydrophobicContact CG-CD1 4.46Å; L368-F383 HydrophobicContact CG-CE1 4.38Å; A372-F383 HydrophobicContact CB-CB 4.07Å; A372-F383 HydrophobicContact CB-CD1 4.18Å; R373-F383 WeakPolarHBondContact O-CA 3.5Å; K381-F383 HydrophobicContact CD-CZ 4.31Å
384N94.1Very high82.9Confident28 Ų2890.4 Ų90.415%0.1551%0.511CS..EExtended strand (participates in β ladder)trans-139.7171.6175.862.612.6000111.9E343 K344 A372 R373E343-N384 WeakPolarHBondContact O-CB 3.28Å; K344-N384 HydrophobicContact CG-CB 4.39Å; A372-N384 WeakPolarHBondContact CA-O 3.42Å; R373-N384 WeakPolarHBondContact CB-OD1 3.3Å; R373-N384 PolarHBondContact N-O 3.01Å; R373-N384 PolarHBondContact O-N 3.37Å; R373-N384 PolarHBondContact O-OD1 2.91Å; R373-N384 VanDerWaalsContact O-OD1 3.14Å
385S92.7Very high82.2Confident24 Ų2491.5 Ų91.517%0.16851%0.512CS..EExtended strand (participates in β ladder)trans-61.4141.2-179.6-1770000112.3F339 R387F339-S385 VanDerWaalsContact CD2-CA 3.47Å; S385-R387 VanDerWaalsContact C-N 3.33Å; S385-R387 VanDerWaalsContact CB-O 3.28Å; S385-R387 WeakPolarHBondContact CB-O 3.22Å; S385-R387 PolarHBondContact OG-N 3.5Å; S385-R387 PolarHBondContact OG-O 3.14Å
386R85.1Confident81.4Confident136 Ų13694.6 Ų94.651%0.51353%0.525SS..SBendtrans-72.7-26.2174-72.1179.7160-144.9-6.3113.2T369 K370 A372 R373T369-R386 PolarHBondContact O-NH2 3.39Å; K370-R386 PolarHBondContact O-NE 2.85Å; K370-R386 PolarHBondContact O-NH1 2.91Å; A372-R386 PolarHBondContact O-NE 2.87Å; R373-R386 HydrophobicContact CB-CG 4.29Å
387R78.6Confident80.6Confident204 Ų20492.2 Ų92.277%0.7752%0.517SS*.SBendtrans-115.9148.2178.9-64.7-178.6-179.4179.60.6108.7S385 V389S385-R387 VanDerWaalsContact C-N 3.33Å; S385-R387 VanDerWaalsContact CB-O 3.28Å; S385-R387 WeakPolarHBondContact CB-O 3.22Å; S385-R387 PolarHBondContact OG-N 3.5Å; S385-R387 PolarHBondContact OG-O 3.14Å; R387-V389 PolarHBondContact O-N 3.29Å
388P66.1Low80Confident129 Ų12993.2 Ų93.284%0.83853%0.528SS*.  trans-52.7121.6169.8-18.429.5000108.2A390P388-A390 PolarHBondContact O-N 3.46Å
389V57.6Low79.4Confident55 Ų5587.9 Ų87.933%0.33350%0.502SS..  trans-67.9117.9171.3-175.10000104.7F339 R387 T391F339-V389 HydrophobicContact CB-CG2 4.1Å; R387-V389 PolarHBondContact O-N 3.29Å; V389-T391 PolarHBondContact O-N 2.8Å
390A49Very low78.6Confident97 Ų9789.8 Ų89.880%0.80249%0.488SS*.  trans-63.4111.2173.100000106.7P388P388-A390 PolarHBondContact O-N 3.46Å
391T41.6Very low77.4Confident210 Ų21090.9 Ų90.9100%1.28849%0.489SS*.  trans-63.60174.738.90000111.8V389V389-T391 PolarHBondContact O-N 2.8Å

Retrieved 391 of 391 residues in 165.4 ms (Link to these results)

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