A0A087XFH2_POEFO Loading...

Branched-chain-amino-acid aminotransferase

AlphaFold DB , UniProt , Accession A0A087XFH2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 352 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
1A87.4Confident96.2Very high38 Ų3881.7 Ų81.731%0.31450%0.501SS..  0-45.4000000112D3 L4 E108 C112A1-D3 VanDerWaalsContact C-N 3.27Å; A1-D3 PolarHBondContact O-N 3.1Å; A1-L4 WeakPolarHBondContact O-CB 3.35Å; A1-L4 PolarHBondContact O-N 3.42Å; A1-L4 VanDerWaalsContact O-N 3.12Å; A1-E108 WeakPolarHBondContact CA-OE2 3.26Å; A1-E108 WeakPolarHBondContact CB-OE2 3.48Å; A1-E108 PolarHBondContact N-OE2 3.02Å; A1-C112 VanDerWaalsContact CA-SG 3.57Å
2A95.8Very high96.1Very high96 Ų9684.1 Ų84.179%0.79351%0.508SS*.THydrogen-bonded Turntrans-57-38179.500000113.7L4A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 2.6Å
3D97.4Very high96Very high122 Ų12284.2 Ų84.265%0.65250%0.497SS*.THydrogen-bonded Turntrans-865.6-179.2-50.4-53.6000114A1 V5 T42A1-D3 VanDerWaalsContact C-N 3.27Å; A1-D3 PolarHBondContact O-N 3.1Å; D3-V5 PolarHBondContact O-N 3.29Å; D3-T42 HydrophobicContact CB-CG2 4.37Å; D3-T42 WeakPolarHBondContact O-CG2 3.37Å
4L98.4Very high95.6Very high32 Ų3287.9 Ų87.917%0.16852%0.521CS..  trans-59.7125.2-172.7175.767.9000112A1 A2 V6 L30 P43 I45 R115A1-L4 WeakPolarHBondContact O-CB 3.35Å; A1-L4 PolarHBondContact O-N 3.42Å; A1-L4 VanDerWaalsContact O-N 3.12Å; A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 2.6Å; L4-V6 HydrophobicContact CG-CG2 4.46Å; L4-L30 HydrophobicContact CD1-CD1 3.89Å; L4-P43 HydrophobicContact CD1-CB 3.68Å; L4-I45 HydrophobicContact CD1-CD1 4.18Å; L4-I45 HydrophobicContact CD1-CG1 4.05Å; L4-I45 HydrophobicContact CD2-CD1 3.83Å; L4-I45 HydrophobicContact CG-CD1 4.42Å; L4-R115 HydrophobicContact CD2-CB 3.67Å; L4-R115 HydrophobicContact CD2-CG 3.45Å; L4-R115 VanDerWaalsContact CD2-CG 3.45Å
5V98.6Very high95.2Very high70 Ų7087 Ų8742%0.42451%0.508SS..EExtended strand (participates in β ladder)trans-96.2140173.2177.90000109.6D3 T42 P43 L44 I45D3-V5 PolarHBondContact O-N 3.29Å; V5-T42 HydrophobicContact CG2-CG2 3.74Å; V5-P43 PolarHBondContact N-O 2.97Å; V5-L44 HydrophobicContact CB-CD1 4.07Å; V5-L44 HydrophobicContact CG1-CD1 3.89Å; V5-L44 WeakPolarHBondContact O-CA 3.35Å; V5-I45 PolarHBondContact O-N 3.17Å
6V98.6Very high94.3Very high54 Ų5484.4 Ų84.433%0.32750%0.495SS..EExtended strand (participates in β ladder)trans-120.5126.5179.5-178.70000110.2L4 L8 I45 I119L4-V6 HydrophobicContact CG-CG2 4.46Å; V6-L8 HydrophobicContact CG1-CD2 3.7Å; V6-L8 HydrophobicContact CG1-CG 4.1Å; V6-I45 HydrophobicContact CG1-CG2 4.46Å; V6-I45 HydrophobicContact CG2-CB 4.45Å; V6-I119 HydrophobicContact CG1-CD1 3.65Å; V6-I119 HydrophobicContact CG2-CD1 4.03Å
7Q98.3Very high93.1Very high103 Ų10389.2 Ų89.248%0.48152%0.518SS..  trans-119.9104.8171.1-67.6177.2-6.400108.1L44 I45 R46 P47Q7-L44 HydrophobicContact CB-CD1 4.46Å; Q7-L44 HydrophobicContact CG-CD1 3.91Å; Q7-I45 PolarHBondContact N-O 3.48Å; Q7-R46 HydrophobicContact CB-CB 4.48Å; Q7-R46 WeakPolarHBondContact O-CA 3.34Å; Q7-P47 WeakPolarHBondContact O-CD 3.44Å
8L98Very high91.6Very high113 Ų11391.6 Ų91.659%0.59253%0.534SS*.  trans-76.4145.2-179-62177.9000111.2V6 H28 I119V6-L8 HydrophobicContact CG1-CD2 3.7Å; V6-L8 HydrophobicContact CG1-CG 4.1Å; L8-H28 WeakPolarHBondContact CA-NE2 3.46Å; L8-I119 HydrophobicContact CD2-CG2 3.75Å
9S95.9Very high90.5Very high30 Ų3088.1 Ų88.121%0.2151%0.513CS..  trans-64.6137.7171.3-1710000110.6S11 H28S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact OG-N 3.36Å; S9-S11 PolarHBondContact OG-O 3.46Å; S9-H28 PolarHBondContact N-NE2 3.15Å
10T95Very high90Very high154 Ų15490.2 Ų90.295%0.94552%0.522SS*.SBendtrans-80.6-11.6172.854.40000112.5
11S94.2Very high89.7Confident87 Ų8788.2 Ų88.261%0.60851%0.508SS*.SBendtrans-137.7122.8177.9-174.30000110S9S9-S11 VanDerWaalsContact C-N 3.27Å; S9-S11 PolarHBondContact OG-N 3.36Å; S9-S11 PolarHBondContact OG-O 3.46Å
12L95.6Very high89.7Confident110 Ų11087.6 Ų87.658%0.57651%0.505SS*.PPolyproline II helixtrans-95.8139.9178.9-56-179.8000110D27L12-D27 HydrophobicContact CD2-CB 4.12Å
13K94.3Very high89.4Confident85 Ų8586.7 Ų86.737%0.3749%0.49SS..PPolyproline II helixtrans-75.5150.5177.6-54.1161.4-172.91720110.3F25 T26 D27 W123K13-F25 PolarHBondContact NZ-O 2.66Å; K13-F25 VanDerWaalsContact NZ-O 3.15Å; K13-T26 PolarHBondContact NZ-O 2.76Å; K13-D27 WeakPolarHBondContact CB-OD1 3.36Å; K13-D27 WeakPolarHBondContact CG-OD1 3.49Å; K13-D27 PolarHBondContact N-OD1 2.71Å; K13-W123 HydrophobicContact CB-CH2 3.9Å; K13-W123 HydrophobicContact CB-CZ2 3.85Å; K13-W123 HydrophobicContact CD-CH2 4.24Å; K13-W123 HydrophobicContact CD-CZ2 4.24Å
14T91.4Very high89.2Confident136 Ų13682.7 Ų82.783%0.83447%0.47SS*.PPolyproline II helixtrans-68.5133.1168.4-52.20000109.8
15K89.1Confident89Confident75 Ų7583.9 Ų83.933%0.32647%0.474SS..PPolyproline II helixtrans-84.3122.6178.5-64.4168.5179.565.20109D122 W123K15-D122 WeakPolarHBondContact CD-O 3.5Å; K15-D122 WeakPolarHBondContact CE-O 3.46Å; K15-W123 HydrophobicContact CD-CD2 4.46Å; K15-W123 HydrophobicContact CG-CD2 4.03Å; K15-W123 HydrophobicContact CG-CE3 3.96Å; K15-W123 HydrophobicContact CG-CH2 4.17Å; K15-W123 HydrophobicContact CG-CZ2 4.23Å; K15-W123 HydrophobicContact CG-CZ3 4.03Å
16P81.4Confident88.9Confident46 Ų4680.6 Ų80.630%0.29945%0.454SS..PPolyproline II helixtrans-80159.717831.6-32.1000111.7V19 V24 Q161P16-V19 HydrophobicContact CB-CG1 3.67Å; P16-V19 HydrophobicContact CG-CG1 3.36Å; P16-V24 HydrophobicContact CG-CB 4.34Å; P16-V24 HydrophobicContact CG-CG1 3.87Å; P16-V24 HydrophobicContact CG-CG2 4.14Å; P16-Q161 PolarHBondContact O-NE2 2.76Å
17D73.9Confident88.9Confident166 Ų16678.2 Ų78.289%0.88844%0.439SS*.SBendtrans-79-41.9-177.1-68-41.4000113.5
18V66.3Low88.9Confident132 Ų13273.6 Ų73.680%0.842%0.418SS*.SBendtrans-145.8129.6179-178.30000109.2
19V70.8Confident89Confident24 Ų2468.4 Ų68.415%0.14539%0.39CS..  trans-143.4151.5179-61.40000111.6P16 V24 Q161P16-V19 HydrophobicContact CB-CG1 3.67Å; P16-V19 HydrophobicContact CG-CG1 3.36Å; V19-V24 HydrophobicContact CB-CG2 4Å; V19-V24 HydrophobicContact CG1-CB 4.36Å; V19-V24 HydrophobicContact CG1-CG2 3.64Å; V19-V24 HydrophobicContact CG2-CB 4.12Å; V19-V24 HydrophobicContact CG2-CG2 4.16Å; V19-Q161 HydrophobicContact CG2-CB 3.59Å; V19-Q161 HydrophobicContact CG2-CG 4.49Å
20D78.6Confident89.1Confident130 Ų13067 Ų6770%0.69538%0.38SS*.  trans-61.3147.6171.9-65.9-30.4000110.6G22 T23D20-G22 PolarHBondContact O-N 3.09Å; D20-T23 HydrophobicContact CB-CG2 3.84Å; D20-T23 PolarHBondContact O-N 3.23Å; D20-T23 PolarHBondContact O-OG1 3.36Å
21F85.4Confident89.3Confident50 Ų5060.3 Ų60.322%0.21934%0.339CS..THydrogen-bonded Turntrans-54.1127.3-179.9174.6-96.8000111.8T23 Y133 A162 Y165F21-T23 VanDerWaalsContact C-N 3.34Å; F21-T23 PolarHBondContact O-N 2.97Å; F21-Y133 HydrophobicContact CE2-CD1 4.23Å; F21-Y133 AromaticContact CE2-CD2 3.66Å; F21-Y133 HydrophobicContact CE2-CD2 3.66Å; F21-Y133 HydrophobicContact CE2-CE2 4.09Å; F21-Y133 AromaticContact CE2-CG 3.7Å; F21-Y133 HydrophobicContact CE2-CG 3.7Å; F21-Y133 HydrophobicContact CZ-CD1 4.07Å; F21-Y133 AromaticContact CZ-CD2 3.92Å; F21-Y133 HydrophobicContact CZ-CD2 3.92Å; F21-Y133 HydrophobicContact CZ-CE1 4.1Å; F21-Y133 AromaticContact CZ-CE2 3.91Å; F21-Y133 HydrophobicContact CZ-CE2 3.91Å; F21-Y133 AromaticContact CZ-CG 3.97Å; F21-Y133 HydrophobicContact CZ-CG 3.97Å; F21-Y133 AromaticContact CZ-CZ 3.98Å; F21-A162 HydrophobicContact CD2-CB 3.76Å; F21-A162 HydrophobicContact CE2-CB 4.03Å; F21-Y165 HydrophobicContact CB-CD2 3.9Å; F21-Y165 HydrophobicContact CB-CE2 4.34Å; F21-Y165 AromaticContact CD1-CD2 3.86Å; F21-Y165 HydrophobicContact CD1-CD2 3.86Å; F21-Y165 AromaticContact CD1-CE2 3.55Å; F21-Y165 HydrophobicContact CD1-CE2 3.55Å; F21-Y165 HydrophobicContact CD2-CD2 4.12Å; F21-Y165 HydrophobicContact CE1-CD2 4.43Å; F21-Y165 AromaticContact CE1-CE2 3.93Å; F21-Y165 HydrophobicContact CE1-CE2 3.93Å; F21-Y165 AromaticContact CG-CD2 3.68Å; F21-Y165 HydrophobicContact CG-CD2 3.68Å; F21-Y165 AromaticContact CG-CE2 3.89Å; F21-Y165 HydrophobicContact CG-CE2 3.89Å
22G87.1Confident89.5Confident25 Ų2556.7 Ų56.726%0.25831%0.314SS..THydrogen-bonded Turntrans76.515.7171.200000115.5D20 F25D20-G22 PolarHBondContact O-N 3.09Å; G22-F25 VanDerWaalsContact O-CZ 3.23Å; G22-F25 WeakPolarHBondContact O-CZ 3.06Å
23T89.2Confident89.7Confident77 Ų7755.5 Ų55.547%0.47231%0.305SS..SBendtrans-101-26.7-179.259.90000114D20 F21D20-T23 HydrophobicContact CB-CG2 3.84Å; D20-T23 PolarHBondContact O-N 3.23Å; D20-T23 PolarHBondContact O-OG1 3.36Å; F21-T23 VanDerWaalsContact C-N 3.34Å; F21-T23 PolarHBondContact O-N 2.97Å
24V92.1Very high89.9Confident37 Ų3753.2 Ų53.222%0.22429%0.294CS..  trans-118.9122.5-179.3177.40000111.1P16 V19 W123 C160 Q161P16-V24 HydrophobicContact CG-CB 4.34Å; P16-V24 HydrophobicContact CG-CG1 3.87Å; P16-V24 HydrophobicContact CG-CG2 4.14Å; V19-V24 HydrophobicContact CB-CG2 4Å; V19-V24 HydrophobicContact CG1-CB 4.36Å; V19-V24 HydrophobicContact CG1-CG2 3.64Å; V19-V24 HydrophobicContact CG2-CB 4.12Å; V19-V24 HydrophobicContact CG2-CG2 4.16Å; V24-W123 HydrophobicContact CG1-CH2 4.42Å; V24-W123 HydrophobicContact CG1-CZ3 3.88Å; V24-C160 CarbonylContact O-C 3.38Å; V24-C160 WeakPolarHBondContact O-CA 3.43Å; V24-C160 WeakPolarHBondContact O-CB 3.44Å; V24-Q161 PolarHBondContact O-N 2.89Å
25F95.7Very high90.2Very high58 Ų5848.3 Ų48.325%0.25426%0.263SS..BIsolated β-bridgetrans-109147.8-174.3-58.2-86.1000112.2K13 G22 F48 I158 M159 C160K13-F25 PolarHBondContact NZ-O 2.66Å; K13-F25 VanDerWaalsContact NZ-O 3.15Å; G22-F25 VanDerWaalsContact O-CZ 3.23Å; G22-F25 WeakPolarHBondContact O-CZ 3.06Å; F25-F48 HydrophobicContact CB-CD2 3.95Å; F25-F48 HydrophobicContact CB-CE1 4.37Å; F25-F48 HydrophobicContact CB-CE2 3.52Å; F25-F48 HydrophobicContact CB-CZ 3.77Å; F25-F48 AromaticContact CD1-CE2 3.88Å; F25-F48 HydrophobicContact CD1-CE2 3.88Å; F25-F48 HydrophobicContact CD1-CZ 4.16Å; F25-F48 HydrophobicContact CD2-CE2 4.44Å; F25-F48 AromaticContact CD2-CZ 3.99Å; F25-F48 HydrophobicContact CD2-CZ 3.99Å; F25-F48 AromaticContact CG-CE2 3.69Å; F25-F48 HydrophobicContact CG-CE2 3.69Å; F25-F48 AromaticContact CG-CZ 3.69Å; F25-F48 HydrophobicContact CG-CZ 3.69Å; F25-I158 HydrophobicContact CD1-CB 4.47Å; F25-I158 HydrophobicContact CD1-CD1 4.09Å; F25-I158 HydrophobicContact CD1-CG1 4.47Å; F25-I158 HydrophobicContact CE1-CD1 3.7Å; F25-I158 HydrophobicContact CE1-CG1 4.42Å; F25-M159 VanDerWaalsContact CA-O 3.3Å; F25-M159 WeakPolarHBondContact CA-O 3.34Å; F25-C160 HydrophobicContact CD1-CB 3.75Å; F25-C160 HydrophobicContact CE1-CB 3.93Å; F25-C160 HydrophobicContact CG-CB 4.43Å
26T96.9Very high90.7Very high0 Ų047.1 Ų47.10%027%0.267CS..  trans-68177.4-179.467.10000112.9K13 H28 D120 W123 L132 M159K13-T26 PolarHBondContact NZ-O 2.76Å; T26-H28 VanDerWaalsContact C-N 3.33Å; T26-H28 PolarHBondContact O-N 3.47Å; T26-H28 PolarHBondContact OG1-O 2.85Å; T26-D120 WeakPolarHBondContact CB-OD2 3.35Å; T26-D120 HydrophobicContact CG2-CB 4.45Å; T26-D120 PolarHBondContact OG1-OD2 3.44Å; T26-W123 HydrophobicContact CG2-CB 3.6Å; T26-W123 HydrophobicContact CG2-CD2 3.71Å; T26-W123 HydrophobicContact CG2-CE3 4.1Å; T26-W123 HydrophobicContact CG2-CG 3.47Å; T26-W123 VanDerWaalsContact CG2-CG 3.47Å; T26-L132 HydrophobicContact CG2-CD1 3.75Å; T26-L132 HydrophobicContact CG2-CD2 3.99Å; T26-L132 HydrophobicContact CG2-CG 4.42Å; T26-M159 HydrophobicContact CG2-CB 3.77Å; T26-M159 HydrophobicContact CG2-CE 4.29Å; T26-M159 PolarHBondContact N-O 2.86Å
27D98.3Very high91.4Very high5 Ų552.2 Ų52.23%0.02729%0.291CS..SBendtrans-72.1-26.6-173.5-65.7-51.5000113L12 K13 P47 F48 W123L12-D27 HydrophobicContact CD2-CB 4.12Å; K13-D27 WeakPolarHBondContact CB-OD1 3.36Å; K13-D27 WeakPolarHBondContact CG-OD1 3.49Å; K13-D27 PolarHBondContact N-OD1 2.71Å; D27-P47 WeakPolarHBondContact O-CA 3.45Å; D27-F48 PolarHBondContact O-N 2.79Å; D27-W123 PolarHBondContact OD2-NE1 2.82Å
28H98.8Very high92.6Very high6 Ų649.8 Ų49.83%0.02828%0.279CS..EExtended strand (participates in β ladder)trans-125.1164-173.9-53.687.6000113.2L8 S9 T26 I45 R46 L116 D120L8-H28 WeakPolarHBondContact CA-NE2 3.46Å; S9-H28 PolarHBondContact N-NE2 3.15Å; T26-H28 VanDerWaalsContact C-N 3.33Å; T26-H28 PolarHBondContact O-N 3.47Å; T26-H28 PolarHBondContact OG1-O 2.85Å; H28-I45 HydrophobicContact CB-CG2 3.95Å; H28-R46 CarbonylContact C-O 3.51Å; H28-R46 VanDerWaalsContact CA-O 3.25Å; H28-R46 WeakPolarHBondContact CA-O 3.47Å; H28-R46 WeakPolarHBondContact CB-O 3.36Å; H28-L116 HydrophobicContact CB-CD1 3.84Å; H28-D120 IonicContact CE1-OD1 3.64Å; H28-D120 IonicContact CG-OD1 3.65Å; H28-D120 PolarHBondContact N-OD2 3.14Å; H28-D120 VanDerWaalsContact N-OD2 3.07Å; H28-D120 IonicContact ND1-OD1 3.89Å; H28-D120 PolarHBondContact ND1-OD1 2.89Å; H28-D120 IonicContact ND1-OD2 3.73Å
29M98.8Very high94.1Very high3 Ų344.6 Ų44.62%0.01525%0.251CS..EExtended strand (participates in β ladder)trans-139.8153.1170.667.6-177.6-59.800110.6T31 I45 R46 F48 L51 Y156 V157 I158M29-T31 HydrophobicContact CE-CG2 3.8Å; M29-T31 HydrophobicContact CG-CG2 4.43Å; M29-T31 HydrophobicContact SD-CG2 4.41Å; M29-I45 WeakPolarHBondContact O-CA 3.33Å; M29-R46 HydrophobicContact CG-CG 4.13Å; M29-R46 PolarHBondContact N-O 2.75Å; M29-R46 PolarHBondContact O-N 3.39Å; M29-F48 HydrophobicContact CB-CD2 4.47Å; M29-L51 HydrophobicContact CE-CD2 4.13Å; M29-Y156 HydrophobicContact CE-CD2 4Å; M29-Y156 HydrophobicContact CE-CG 4.3Å; M29-V157 WeakPolarHBondContact CA-O 3.4Å; M29-V157 WeakPolarHBondContact CB-O 3.38Å; M29-I158 HydrophobicContact CB-CG2 4.02Å; M29-I158 HydrophobicContact CE-CG2 4.01Å
30L98.9Very high95.4Very high0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-89.9140.3168.317968000109.3L4 V32 P43 L44 I45 L109 C112 L116 Y156 V157L4-L30 HydrophobicContact CD1-CD1 3.89Å; L30-V32 HydrophobicContact CD1-CG2 4.45Å; L30-V32 HydrophobicContact CG-CG2 4.33Å; L30-P43 HydrophobicContact CD1-CB 4.23Å; L30-L44 CarbonylContact C-O 3.49Å; L30-L44 WeakPolarHBondContact CA-O 3.43Å; L30-I45 HydrophobicContact CB-CG1 4.44Å; L30-I45 HydrophobicContact CD1-CG1 3.87Å; L30-L109 HydrophobicContact CD2-CD1 4.19Å; L30-C112 HydrophobicContact CD1-CB 4.12Å; L30-C112 HydrophobicContact CD2-CB 3.58Å; L30-L116 HydrophobicContact CB-CD2 4.14Å; L30-Y156 CarbonylContact O-C 3.54Å; L30-Y156 WeakPolarHBondContact O-CA 3.1Å; L30-Y156 VanDerWaalsContact O-CB 3.26Å; L30-Y156 WeakPolarHBondContact O-CB 3.47Å; L30-V157 HydrophobicContact CB-CB 3.92Å; L30-V157 HydrophobicContact CB-CG2 4.16Å; L30-V157 HydrophobicContact CD2-CB 4.41Å; L30-V157 HydrophobicContact CD2-CG2 3.78Å; L30-V157 HydrophobicContact CG-CG2 4.46Å; L30-V157 PolarHBondContact N-O 2.62Å; L30-V157 PolarHBondContact O-N 3.37Å
31T98.8Very high96.4Very high14 Ų1444.8 Ų44.89%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-136.8140.2168.952.50000110.9M29 L44 L155M29-T31 HydrophobicContact CE-CG2 3.8Å; M29-T31 HydrophobicContact CG-CG2 4.43Å; M29-T31 HydrophobicContact SD-CG2 4.41Å; T31-L44 PolarHBondContact N-O 2.96Å; T31-L44 PolarHBondContact O-N 3.17Å; T31-L44 PolarHBondContact OG1-O 3.37Å; T31-L155 CarbonylContact C-O 3.58Å; T31-L155 WeakPolarHBondContact CA-O 3.36Å
32V98.8Very high97Very high12 Ų1246.2 Ų46.27%0.07326%0.256CS..EExtended strand (participates in β ladder)trans-140.7113.6174.6-158.60000108.4L30 W40 Q41 P43 L155L30-V32 HydrophobicContact CD1-CG2 4.45Å; L30-V32 HydrophobicContact CG-CG2 4.33Å; V32-W40 HydrophobicContact CB-CE3 4.11Å; V32-W40 HydrophobicContact CB-CZ3 4.17Å; V32-W40 HydrophobicContact CG1-CE3 3.64Å; V32-W40 HydrophobicContact CG1-CZ3 4.22Å; V32-Q41 VanDerWaalsContact CG1-O 3.24Å; V32-Q41 WeakPolarHBondContact CG1-O 3.29Å; V32-P43 HydrophobicContact CG1-CB 4.44Å; V32-P43 HydrophobicContact CG1-CG 4.11Å; V32-P43 HydrophobicContact CG2-CB 3.89Å; V32-P43 HydrophobicContact CG2-CG 4.24Å; V32-L155 HydrophobicContact CB-CB 4.26Å; V32-L155 HydrophobicContact CG2-CD2 4.2Å; V32-L155 PolarHBondContact N-O 3.19Å; V32-L155 PolarHBondContact O-N 2.87Å
33E98.8Very high97.6Very high84 Ų8446 Ų4639%0.39325%0.25SS..EExtended strand (participates in β ladder)trans-80.2149.9175.9-68.1-74.5171.700110.3Q41 L154E33-Q41 HydrophobicContact CB-CB 4.15Å; E33-Q41 HydrophobicContact CB-CG 3.93Å; E33-Q41 WeakPolarHBondContact O-CB 3.42Å; E33-Q41 PolarHBondContact O-N 3.04Å; E33-L154 HydrophobicContact CG-CD1 4.39Å
34W98.8Very high98Very high38 Ų3844.2 Ų44.214%0.14424%0.238CC..EExtended strand (participates in β ladder)trans-135.1141.2172.3179.691000110.5A36 G39 W40 P102 N151 R152 A153W34-A36 HydrophobicContact CH2-CB 3.92Å; W34-A36 HydrophobicContact CZ2-CB 4.45Å; W34-A36 HydrophobicContact CZ3-CB 4.5Å; W34-G39 WeakPolarHBondContact CA-O 3.38Å; W34-W40 HydrophobicContact CB-CD2 4Å; W34-W40 HydrophobicContact CB-CE3 3.65Å; W34-W40 HydrophobicContact CB-CH2 4.2Å; W34-W40 HydrophobicContact CB-CZ3 3.76Å; W34-W40 AromaticContact CD1-CD1 3.82Å; W34-W40 AromaticContact CD1-CD2 3.66Å; W34-W40 AromaticContact CD1-CE2 3.75Å; W34-W40 AromaticContact CD1-CG 3.71Å; W34-W40 AromaticContact CD1-NE1 3.82Å; W34-W40 HydrophobicContact CG-CD2 4.18Å; W34-W40 HydrophobicContact CG-CE3 4.33Å; W34-P102 HydrophobicContact CB-CG 4.15Å; W34-P102 HydrophobicContact CD2-CB 3.63Å; W34-P102 HydrophobicContact CD2-CG 3.6Å; W34-P102 HydrophobicContact CE3-CB 4.18Å; W34-P102 HydrophobicContact CE3-CG 3.86Å; W34-P102 HydrophobicContact CG-CB 3.85Å; W34-P102 HydrophobicContact CG-CG 3.7Å; W34-P102 HydrophobicContact CZ2-CB 4.03Å; W34-P102 HydrophobicContact CZ3-CG 4.5Å; W34-N151 VanDerWaalsContact CZ3-C 3.43Å; W34-N151 WeakPolarHBondContact CZ3-O 3.46Å; W34-R152 WeakPolarHBondContact O-CA 3.21Å; W34-A153 HydrophobicContact CB-CB 4.32Å; W34-A153 HydrophobicContact CE3-CB 4.04Å; W34-A153 PolarHBondContact N-O 3.21Å; W34-A153 PolarHBondContact O-N 3.19Å
35N98.4Very high98.4Very high33 Ų3342.5 Ų42.518%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-138.9157.6166.480.467.3000111.6N37 D38 G39 N151 R152N35-N37 VanDerWaalsContact C-N 3.26Å; N35-N37 PolarHBondContact O-N 3.3Å; N35-N37 WeakPolarHBondContact OD1-CA 3.43Å; N35-N37 WeakPolarHBondContact OD1-CB 3.39Å; N35-N37 PolarHBondContact OD1-N 3.39Å; N35-D38 PolarHBondContact ND2-OD2 2.81Å; N35-D38 PolarHBondContact OD1-N 3.27Å; N35-D38 PolarHBondContact OD1-OD2 3.04Å; N35-G39 PolarHBondContact N-O 3.28Å; N35-G39 VanDerWaalsContact N-O 3.13Å; N35-G39 VanDerWaalsContact O-CA 3.23Å; N35-G39 WeakPolarHBondContact O-CA 3.28Å; N35-G39 PolarHBondContact O-N 3.47Å; N35-N151 CarbonylContact C-O 3.46Å; N35-N151 VanDerWaalsContact CA-O 3.27Å; N35-N151 WeakPolarHBondContact CA-O 3.29Å; N35-R152 HydrophobicContact CB-CG 4.33Å
36A98.1Very high98.5Very high49 Ų4942.5 Ų42.541%0.40523%0.225SC..THydrogen-bonded Turntrans-67.4-21-17500000114.9W34 N151W34-A36 HydrophobicContact CH2-CB 3.92Å; W34-A36 HydrophobicContact CZ2-CB 4.45Å; W34-A36 HydrophobicContact CZ3-CB 4.5Å; A36-N151 HydrophobicContact CB-CB 3.87Å; A36-N151 PolarHBondContact N-O 3.34Å
37N97.8Very high98.6Very high153 Ų15344.8 Ų44.882%0.81824%0.24SC*.THydrogen-bonded Turntrans-85.4-45.2-178.6-61.4-26.5000111.6N35N35-N37 VanDerWaalsContact C-N 3.26Å; N35-N37 PolarHBondContact O-N 3.3Å; N35-N37 WeakPolarHBondContact OD1-CA 3.43Å; N35-N37 WeakPolarHBondContact OD1-CB 3.39Å; N35-N37 PolarHBondContact OD1-N 3.39Å
38D97.8Very high98.6Very high116 Ų11647.7 Ų47.762%0.6225%0.253SS*.THydrogen-bonded Turntrans-107.6-10.7-170.6-50.8-50.9000113N35 Q41N35-D38 PolarHBondContact ND2-OD2 2.81Å; N35-D38 PolarHBondContact OD1-N 3.27Å; N35-D38 PolarHBondContact OD1-OD2 3.04Å; D38-Q41 VanDerWaalsContact CB-NE2 3.33Å
39G98.4Very high98.5Very high22 Ų2248.6 Ų48.623%0.22726%0.264CS..EExtended strand (participates in β ladder)trans73.6-149-174.500000113W34 N35 Q41W34-G39 WeakPolarHBondContact CA-O 3.38Å; N35-G39 PolarHBondContact N-O 3.28Å; N35-G39 VanDerWaalsContact N-O 3.13Å; N35-G39 VanDerWaalsContact O-CA 3.23Å; N35-G39 WeakPolarHBondContact O-CA 3.28Å; N35-G39 PolarHBondContact O-N 3.47Å; G39-Q41 PolarHBondContact O-NE2 2.91Å
40W98.8Very high98.5Very high80 Ų8055.8 Ų55.830%0.30330%0.302SS..EExtended strand (participates in β ladder)trans-71.1129.5179.3-72.1106.3000110.6V32 W34 P102 A103 F104 L138 L155V32-W40 HydrophobicContact CB-CE3 4.11Å; V32-W40 HydrophobicContact CB-CZ3 4.17Å; V32-W40 HydrophobicContact CG1-CE3 3.64Å; V32-W40 HydrophobicContact CG1-CZ3 4.22Å; W34-W40 HydrophobicContact CB-CD2 4Å; W34-W40 HydrophobicContact CB-CE3 3.65Å; W34-W40 HydrophobicContact CB-CH2 4.2Å; W34-W40 HydrophobicContact CB-CZ3 3.76Å; W34-W40 AromaticContact CD1-CD1 3.82Å; W34-W40 AromaticContact CD1-CD2 3.66Å; W34-W40 AromaticContact CD1-CE2 3.75Å; W34-W40 AromaticContact CD1-CG 3.71Å; W34-W40 AromaticContact CD1-NE1 3.82Å; W34-W40 HydrophobicContact CG-CD2 4.18Å; W34-W40 HydrophobicContact CG-CE3 4.33Å; W40-P102 HydrophobicContact CH2-CG 3.91Å; W40-P102 HydrophobicContact CZ2-CB 3.84Å; W40-P102 HydrophobicContact CZ2-CG 3.61Å; W40-A103 PolarHBondContact NE1-O 3.43Å; W40-F104 HydrophobicContact CZ2-CB 3.96Å; W40-F104 HydrophobicContact CZ2-CD1 4.27Å; W40-L138 HydrophobicContact CH2-CD1 3.91Å; W40-L155 HydrophobicContact CH2-CB 3.92Å; W40-L155 HydrophobicContact CH2-CD1 4.22Å; W40-L155 HydrophobicContact CZ3-CB 3.77Å
41Q98.5Very high98.5Very high78 Ų7858.3 Ų58.336%0.36432%0.316SS..PPolyproline II helixtrans-82.2170.4173-56-56.2-58.500110.7V32 E33 D38 G39 P43V32-Q41 VanDerWaalsContact CG1-O 3.24Å; V32-Q41 WeakPolarHBondContact CG1-O 3.29Å; E33-Q41 HydrophobicContact CB-CB 4.15Å; E33-Q41 HydrophobicContact CB-CG 3.93Å; E33-Q41 WeakPolarHBondContact O-CB 3.42Å; E33-Q41 PolarHBondContact O-N 3.04Å; D38-Q41 VanDerWaalsContact CB-NE2 3.33Å; G39-Q41 PolarHBondContact O-NE2 2.91Å; Q41-P43 WeakPolarHBondContact O-CD 3.01Å
42T98.5Very high98.4Very high81 Ų8163.8 Ų63.850%0.49736%0.355SS..PPolyproline II helixtrans-55.8124.9177.4-54.90000111.4D3 V5D3-T42 HydrophobicContact CB-CG2 4.37Å; D3-T42 WeakPolarHBondContact O-CG2 3.37Å; V5-T42 HydrophobicContact CG2-CG2 3.74Å
43P98.8Very high98.4Very high20 Ų2065.9 Ų65.913%0.1337%0.365CS..PPolyproline II helixtrans-60.8138.9173.3-23.834.8000111.4L4 V5 L30 V32 Q41L4-P43 HydrophobicContact CD1-CB 3.68Å; V5-P43 PolarHBondContact N-O 2.97Å; L30-P43 HydrophobicContact CD1-CB 4.23Å; V32-P43 HydrophobicContact CG1-CB 4.44Å; V32-P43 HydrophobicContact CG1-CG 4.11Å; V32-P43 HydrophobicContact CG2-CB 3.89Å; V32-P43 HydrophobicContact CG2-CG 4.24Å; Q41-P43 WeakPolarHBondContact O-CD 3.01Å
44L98.9Very high98.4Very high40 Ų4066.6 Ų66.621%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-129.9120.7-178.1175.263.5000110.5V5 Q7 L30 T31 R46V5-L44 HydrophobicContact CB-CD1 4.07Å; V5-L44 HydrophobicContact CG1-CD1 3.89Å; V5-L44 WeakPolarHBondContact O-CA 3.35Å; Q7-L44 HydrophobicContact CB-CD1 4.46Å; Q7-L44 HydrophobicContact CG-CD1 3.91Å; L30-L44 CarbonylContact C-O 3.49Å; L30-L44 WeakPolarHBondContact CA-O 3.43Å; T31-L44 PolarHBondContact N-O 2.96Å; T31-L44 PolarHBondContact O-N 3.17Å; T31-L44 PolarHBondContact OG1-O 3.37Å; L44-R46 HydrophobicContact CD2-CB 4.18Å; L44-R46 HydrophobicContact CD2-CG 4.45Å; L44-R46 HydrophobicContact CG-CB 4.04Å; L44-R46 HydrophobicContact CG-CG 4.45Å
45I98.9Very high98.4Very high0 Ų069.6 Ų69.60%039%0.392CS..EExtended strand (participates in β ladder)trans-89.2123.7160.3-70.9166.1000107.7L4 V5 V6 Q7 H28 M29 L30 R115 L116 I119L4-I45 HydrophobicContact CD1-CD1 4.18Å; L4-I45 HydrophobicContact CD1-CG1 4.05Å; L4-I45 HydrophobicContact CD2-CD1 3.83Å; L4-I45 HydrophobicContact CG-CD1 4.42Å; V5-I45 PolarHBondContact O-N 3.17Å; V6-I45 HydrophobicContact CG1-CG2 4.46Å; V6-I45 HydrophobicContact CG2-CB 4.45Å; Q7-I45 PolarHBondContact N-O 3.48Å; H28-I45 HydrophobicContact CB-CG2 3.95Å; M29-I45 WeakPolarHBondContact O-CA 3.33Å; L30-I45 HydrophobicContact CB-CG1 4.44Å; L30-I45 HydrophobicContact CD1-CG1 3.87Å; I45-R115 HydrophobicContact CD1-CB 4.27Å; I45-R115 HydrophobicContact CD1-CG 4.04Å; I45-L116 HydrophobicContact CD1-CB 3.89Å; I45-L116 HydrophobicContact CD1-CD1 4.42Å; I45-L116 HydrophobicContact CG1-CB 4.37Å; I45-L116 HydrophobicContact CG1-CD1 4.28Å; I45-L116 HydrophobicContact CG2-CD1 3.97Å; I45-I119 HydrophobicContact CB-CD1 4.45Å; I45-I119 HydrophobicContact CD1-CD1 3.79Å; I45-I119 HydrophobicContact CG2-CD1 3.89Å
46R98.6Very high98.4Very high58 Ų5868.7 Ų68.722%0.21939%0.39CS..EExtended strand (participates in β ladder)trans-137.6167.8-177.163.9178-177.298-5.7111Q7 H28 M29 L44 F48Q7-R46 HydrophobicContact CB-CB 4.48Å; Q7-R46 WeakPolarHBondContact O-CA 3.34Å; H28-R46 CarbonylContact C-O 3.51Å; H28-R46 VanDerWaalsContact CA-O 3.25Å; H28-R46 WeakPolarHBondContact CA-O 3.47Å; H28-R46 WeakPolarHBondContact CB-O 3.36Å; M29-R46 HydrophobicContact CG-CG 4.13Å; M29-R46 PolarHBondContact N-O 2.75Å; M29-R46 PolarHBondContact O-N 3.39Å; L44-R46 HydrophobicContact CD2-CB 4.18Å; L44-R46 HydrophobicContact CD2-CG 4.45Å; L44-R46 HydrophobicContact CG-CB 4.04Å; L44-R46 HydrophobicContact CG-CG 4.45Å; R46-F48 PolarHBondContact O-N 2.95Å
47P98.6Very high98.5Very high48 Ų4866.4 Ų66.431%0.31237%0.371SS..EExtended strand (participates in β ladder)trans-56.2140.7172.7-23.836.2000111Q7 D27 G49Q7-P47 WeakPolarHBondContact O-CD 3.44Å; D27-P47 WeakPolarHBondContact O-CA 3.45Å; P47-G49 PolarHBondContact O-N 2.95Å
48F98.4Very high98.5Very high66 Ų6659.3 Ų59.329%0.28933%0.333SS..  trans-57.5132.5176.9-178-80.6000110.3F25 D27 M29 R46 I158F25-F48 HydrophobicContact CB-CD2 3.95Å; F25-F48 HydrophobicContact CB-CE1 4.37Å; F25-F48 HydrophobicContact CB-CE2 3.52Å; F25-F48 HydrophobicContact CB-CZ 3.77Å; F25-F48 AromaticContact CD1-CE2 3.88Å; F25-F48 HydrophobicContact CD1-CE2 3.88Å; F25-F48 HydrophobicContact CD1-CZ 4.16Å; F25-F48 HydrophobicContact CD2-CE2 4.44Å; F25-F48 AromaticContact CD2-CZ 3.99Å; F25-F48 HydrophobicContact CD2-CZ 3.99Å; F25-F48 AromaticContact CG-CE2 3.69Å; F25-F48 HydrophobicContact CG-CE2 3.69Å; F25-F48 AromaticContact CG-CZ 3.69Å; F25-F48 HydrophobicContact CG-CZ 3.69Å; D27-F48 PolarHBondContact O-N 2.79Å; M29-F48 HydrophobicContact CB-CD2 4.47Å; R46-F48 PolarHBondContact O-N 2.95Å; F48-I158 HydrophobicContact CD2-CG2 4.14Å; F48-I158 HydrophobicContact CE2-CB 4.13Å; F48-I158 HydrophobicContact CE2-CG2 3.71Å
49G97.3Very high98.5Very high25 Ų2554.1 Ų54.126%0.25831%0.306SS..  trans-173.1176.7176.400000112.8P47P47-G49 PolarHBondContact O-N 2.95Å
50D98.4Very high98.6Very high154 Ų15458.3 Ų58.382%0.82432%0.323SS*.  trans-62.8157.3-175.1-62.5-23.5000113
51L98.5Very high98.6Very high54 Ų5458.8 Ų58.828%0.28333%0.328SS..  trans-94.2125.8172.1-59.5-177.9000109.7M29 L53 L154 Y156M29-L51 HydrophobicContact CE-CD2 4.13Å; L51-L53 HydrophobicContact CB-CD1 4.46Å; L51-L53 HydrophobicContact CB-CD2 4.37Å; L51-L53 HydrophobicContact CB-CG 4.11Å; L51-L53 PolarHBondContact O-N 2.84Å; L51-L154 HydrophobicContact CD1-CD2 4.14Å; L51-L154 HydrophobicContact CD2-CD2 3.94Å; L51-Y156 HydrophobicContact CD1-CD1 4.17Å; L51-Y156 HydrophobicContact CD1-CE1 3.87Å
52S98.1Very high98.6Very high129 Ų12959.4 Ų59.490%0.90233%0.328SS*.  trans-87.5102.6171-169.80000109.4
53L98.6Very high98.6Very high55 Ų5557.2 Ų57.229%0.28832%0.318SS..  trans-112141.8-177.3-59.8178.2000110.9L51 C57 I139 T141L51-L53 HydrophobicContact CB-CD1 4.46Å; L51-L53 HydrophobicContact CB-CD2 4.37Å; L51-L53 HydrophobicContact CB-CG 4.11Å; L51-L53 PolarHBondContact O-N 2.84Å; L53-C57 HydrophobicContact CB-CB 4.4Å; L53-I139 HydrophobicContact CD1-CD1 4.24Å; L53-I139 HydrophobicContact CD2-CD1 4.21Å; L53-T141 HydrophobicContact CD2-CG2 4.14Å
54H98.6Very high98.6Very high99 Ų9957.3 Ų57.346%0.45832%0.318SS..  trans-62.4139169.7-174.8-89.5000109.6A56 C57 P143H54-A56 WeakPolarHBondContact ND1-CB 3.46Å; H54-A56 PolarHBondContact ND1-N 2.66Å; H54-A56 PolarHBondContact O-N 3.06Å; H54-A56 VanDerWaalsContact O-N 3.1Å; H54-C57 WeakPolarHBondContact O-CB 3.34Å; H54-C57 PolarHBondContact O-N 3.01Å; H54-P143 HydrophobicContact CB-CB 3.95Å
55P98.6Very high98.6Very high101 Ų10158.6 Ų58.666%0.65632%0.323SS*.THydrogen-bonded Turntrans-59.5-27.6-177.1-27.535.6000114.6C57 H61P55-C57 VanDerWaalsContact C-N 3.29Å; P55-C57 PolarHBondContact O-N 2.89Å; P55-H61 PolarHBondContact O-NE2 3.14Å
56A98.6Very high98.6Very high15 Ų1558.7 Ų58.712%0.12432%0.324CS..THydrogen-bonded Turntrans-87.919.2174.200000114.2H54 S58 S144 L145H54-A56 WeakPolarHBondContact ND1-CB 3.46Å; H54-A56 PolarHBondContact ND1-N 2.66Å; H54-A56 PolarHBondContact O-N 3.06Å; H54-A56 VanDerWaalsContact O-N 3.1Å; A56-S58 PolarHBondContact O-N 3.41Å; A56-S144 PolarHBondContact O-N 3.33Å; A56-L145 HydrophobicContact CB-CD2 3.92Å; A56-L145 HydrophobicContact CB-CG 4.27Å
57C98.8Very high98.6Very high1 Ų157.8 Ų57.81%0.00732%0.321CS..BIsolated β-bridgetrans-58.1123.1-179.8173.40000111.6L53 H54 P55 A59 L60 H61 G140 E142L53-C57 HydrophobicContact CB-CB 4.4Å; H54-C57 WeakPolarHBondContact O-CB 3.34Å; H54-C57 PolarHBondContact O-N 3.01Å; P55-C57 VanDerWaalsContact C-N 3.29Å; P55-C57 PolarHBondContact O-N 2.89Å; C57-A59 PolarHBondContact O-N 2.86Å; C57-L60 HydrophobicContact CB-CD1 3.97Å; C57-L60 HydrophobicContact CB-CG 4.01Å; C57-L60 WeakPolarHBondContact O-CB 3.46Å; C57-L60 PolarHBondContact O-N 2.9Å; C57-H61 PolarHBondContact O-CD2 3Å; C57-H61 PolarHBondContact O-N 2.95Å; C57-G140 PolarHBondContact SG-O 2.96Å; C57-E142 WeakPolarHBondContact CA-O 3.39Å
58S98.8Very high98.6Very high4 Ų455.5 Ų55.53%0.02831%0.307CS..Hα-helixtrans-52.9-31.3-177.150.10000115.1A56 L60 H61 Y62 G140 E142A56-S58 PolarHBondContact O-N 3.41Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 2.75Å; S58-H61 PolarHBondContact O-N 3.42Å; S58-Y62 PolarHBondContact O-N 3.27Å; S58-G140 PolarHBondContact OG-O 3.04Å; S58-E142 PolarHBondContact N-O 3.41Å; S58-E142 VanDerWaalsContact N-O 3.15Å; S58-E142 PolarHBondContact OG-N 3.48Å
59A98.8Very high98.5Very high7 Ų752.4 Ų52.46%0.05829%0.293CS..Hα-helixtrans-62.8-37.6175.200000112.7C57 A63 E65 I139 G140C57-A59 PolarHBondContact O-N 2.86Å; A59-A63 WeakPolarHBondContact O-CA 3.4Å; A59-A63 PolarHBondContact O-N 3.43Å; A59-E65 HydrophobicContact CB-CB 4.47Å; A59-I139 HydrophobicContact CB-CB 3.86Å; A59-I139 HydrophobicContact CB-CG2 4.33Å; A59-G140 WeakPolarHBondContact CB-O 3.42Å; A59-G140 PolarHBondContact N-O 3.21Å; A59-G140 VanDerWaalsContact N-O 3.08Å
60L98.8Very high98.5Very high110 Ų11051.3 Ų51.358%0.57628%0.281SS*.Hα-helixtrans-74.2-25.7-179.2-56.2179.1000113.2C57 S58C57-L60 HydrophobicContact CB-CD1 3.97Å; C57-L60 HydrophobicContact CB-CG 4.01Å; C57-L60 WeakPolarHBondContact O-CB 3.46Å; C57-L60 PolarHBondContact O-N 2.9Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-L60 PolarHBondContact O-N 2.75Å
61H98.7Very high98.3Very high90 Ų9044.6 Ų44.642%0.41725%0.245SC..Hα-helixtrans-104.3-36.4-173.5-68.8-88.9000113.4P55 C57 S58P55-H61 PolarHBondContact O-NE2 3.14Å; C57-H61 PolarHBondContact O-CD2 3Å; C57-H61 PolarHBondContact O-N 2.95Å; S58-H61 PolarHBondContact O-N 3.42Å
62Y98.5Very high98.2Very high90 Ų9042 Ų4235%0.35323%0.232SC..Hα-helixtrans-127.813.4-170.3-49.4-51.9000113.3S58 V64 L145 V147S58-Y62 PolarHBondContact O-N 3.27Å; Y62-V64 PolarHBondContact O-N 2.89Å; Y62-V64 VanDerWaalsContact O-N 3.14Å; Y62-L145 WeakPolarHBondContact OH-CA 3.35Å; Y62-L145 PolarHBondContact OH-O 3.17Å; Y62-V147 HydrophobicContact CD1-CG2 4.04Å; Y62-V147 HydrophobicContact CD2-CG2 4.22Å; Y62-V147 HydrophobicContact CE1-CG2 3.77Å; Y62-V147 HydrophobicContact CE2-CG2 3.95Å; Y62-V147 HydrophobicContact CG-CG2 4.28Å
63A98.6Very high97.9Very high35 Ų3536.1 Ų36.129%0.28919%0.19SC..  trans50.439.6-179.900000112.9A59 E65A59-A63 WeakPolarHBondContact O-CA 3.4Å; A59-A63 PolarHBondContact O-N 3.43Å; A63-E65 HydrophobicContact CB-CG 4.43Å; A63-E65 PolarHBondContact O-N 3.23Å
64V98.8Very high97.7Very high23 Ų2335.1 Ų35.114%0.13918%0.182CC..  trans-73.870.8171.4-171.60000108.4Y62 L101 I139 G140 P150Y62-V64 PolarHBondContact O-N 2.89Å; Y62-V64 VanDerWaalsContact O-N 3.14Å; V64-L101 HydrophobicContact CG1-CD1 4.36Å; V64-L101 HydrophobicContact CG1-CD2 4.16Å; V64-L101 HydrophobicContact CG1-CG 4.15Å; V64-I139 CarbonylContact O-C 3.51Å; V64-I139 WeakPolarHBondContact O-CA 3.42Å; V64-G140 PolarHBondContact O-N 3.38Å; V64-P150 HydrophobicContact CG1-CG 4.02Å
65E98.9Very high97.4Very high67 Ų6730.6 Ų30.631%0.31316%0.163SC..EExtended strand (participates in β ladder)trans-155.7147.1-171.858.3176.8-15100112.4A59 A63 L138 I139 M191 G192A59-E65 HydrophobicContact CB-CB 4.47Å; A63-E65 HydrophobicContact CB-CG 4.43Å; A63-E65 PolarHBondContact O-N 3.23Å; E65-L138 WeakPolarHBondContact CA-O 3.23Å; E65-I139 HydrophobicContact CB-CB 4.42Å; E65-I139 HydrophobicContact CB-CG2 3.74Å; E65-M191 WeakPolarHBondContact O-CA 3.29Å; E65-G192 PolarHBondContact O-N 3.32Å
66L98.9Very high96.9Very high1 Ų130.9 Ų30.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-145.2161.5174.864.791.2000110.3M92 S95 A96 A99 L101 T137 L138 K190 M191L66-M92 HydrophobicContact CD1-CE 3.94Å; L66-M92 HydrophobicContact CD1-CG 3.6Å; L66-S95 VanDerWaalsContact CD2-C 3.4Å; L66-A96 HydrophobicContact CD2-CB 3.78Å; L66-A96 VanDerWaalsContact CD2-N 3.26Å; L66-A99 HydrophobicContact CD2-CB 4.3Å; L66-L101 HydrophobicContact CD2-CD1 3.85Å; L66-L101 HydrophobicContact CG-CD1 4.36Å; L66-T137 WeakPolarHBondContact O-CA 3.5Å; L66-T137 WeakPolarHBondContact O-CG2 3.31Å; L66-L138 HydrophobicContact CD1-CB 3.88Å; L66-L138 HydrophobicContact CD2-CB 4.46Å; L66-L138 HydrophobicContact CD2-CD2 4.44Å; L66-L138 HydrophobicContact CG-CB 4Å; L66-L138 PolarHBondContact N-O 3.17Å; L66-L138 PolarHBondContact O-N 3.16Å; L66-K190 WeakPolarHBondContact CA-O 3.25Å; L66-M191 HydrophobicContact CB-CG 4.38Å
67F98.9Very high96.6Very high39 Ų3933.6 Ų33.617%0.17117%0.171CC..EExtended strand (participates in β ladder)trans-146.4164.717866.7-84.2000112.3P136 T137 K190 Y195F67-P136 CarbonylContact C-O 3.43Å; F67-P136 VanDerWaalsContact CA-O 3.23Å; F67-P136 WeakPolarHBondContact CA-O 3.22Å; F67-P136 WeakPolarHBondContact CB-O 3.5Å; F67-T137 HydrophobicContact CB-CG2 4.41Å; F67-K190 HydrophobicContact CD2-CD 4.35Å; F67-K190 HydrophobicContact CD2-CG 4.31Å; F67-K190 HydrophobicContact CE1-CG 4.4Å; F67-K190 HydrophobicContact CE2-CD 4.24Å; F67-K190 HydrophobicContact CE2-CG 4.12Å; F67-K190 HydrophobicContact CZ-CG 4.16Å; F67-K190 PolarHBondContact N-O 2.86Å; F67-K190 WeakPolarHBondContact O-CB 3.42Å; F67-K190 VanDerWaalsContact O-CD 3.3Å; F67-K190 WeakPolarHBondContact O-CD 3.3Å; F67-K190 VanDerWaalsContact O-CG 3.22Å; F67-K190 WeakPolarHBondContact O-CG 3.46Å; F67-Y195 AromaticContact CE1-CD2 3.55Å; F67-Y195 HydrophobicContact CE1-CD2 3.55Å; F67-Y195 AromaticContact CE1-CE2 3.29Å; F67-Y195 HydrophobicContact CE1-CE2 3.29Å; F67-Y195 HydrophobicContact CE1-CG 4.39Å; F67-Y195 AromaticContact CE1-CZ 3.96Å; F67-Y195 HydrophobicContact CZ-CD1 4.43Å; F67-Y195 AromaticContact CZ-CD2 3.79Å; F67-Y195 HydrophobicContact CZ-CD2 3.79Å; F67-Y195 HydrophobicContact CZ-CE1 4.04Å; F67-Y195 AromaticContact CZ-CE2 3.31Å; F67-Y195 HydrophobicContact CZ-CE2 3.31Å; F67-Y195 HydrophobicContact CZ-CG 4.33Å; F67-Y195 AromaticContact CZ-CZ 3.46Å; F67-Y195 VanDerWaalsContact CZ-CZ 3.46Å
68E98.7Very high96.3Very high0 Ų041.6 Ų41.60%021%0.205CC..  trans-122.2167.7171.6-100.1-55.7144.500112.5N88 R91 M92 R135 P136E68-N88 HydrophobicContact CG-CB 4.31Å; E68-N88 WeakPolarHBondContact CG-O 3.33Å; E68-N88 PolarHBondContact OE2-ND2 2.94Å; E68-R91 IonicContact OE1-CZ 3.84Å; E68-R91 IonicContact OE1-NE 2.71Å; E68-R91 PolarHBondContact OE1-NE 2.9Å; E68-R91 IonicContact OE1-NH2 3.6Å; E68-R91 PolarHBondContact OE1-NH2 3.3Å; E68-R91 IonicContact OE2-CZ 2.68Å; E68-R91 IonicContact OE2-NE 2.81Å; E68-R91 IonicContact OE2-NH2 3.78Å; E68-R91 PolarHBondContact OE2-NH2 2.81Å; E68-M92 HydrophobicContact CB-SD 4.48Å; E68-M92 HydrophobicContact CG-CB 3.66Å; E68-M92 HydrophobicContact CG-CG 4.05Å; E68-M92 HydrophobicContact CG-SD 4.39Å; E68-R135 VanDerWaalsContact O-CD 3.32Å; E68-R135 WeakPolarHBondContact O-CD 3.46Å; E68-R135 PolarHBondContact O-NE 3.21Å; E68-P136 HydrophobicContact CB-CB 4.13Å; E68-P136 HydrophobicContact CB-CG 3.91Å; E68-P136 PolarHBondContact N-O 3.01Å
69G97.1Very high96.1Very high1 Ų148.5 Ų48.51%0.0123%0.231CC..  trans-147.4108.4-179.400000111.7N88 Y133 T301G69-N88 PolarHBondContact O-ND2 3.09Å; G69-N88 VanDerWaalsContact O-ND2 3.1Å; G69-Y133 WeakPolarHBondContact CA-OH 3.31Å; G69-T301 WeakPolarHBondContact O-CG2 3.43Å; G69-T301 PolarHBondContact O-OG1 2.76Å; G69-T301 VanDerWaalsContact O-OG1 3.08Å
70L96.4Very high96Very high2 Ų249 Ų491%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-136.317017668.5169.9000110.5L82 P85 I134 P136L70-L82 HydrophobicContact CD1-CD2 4.11Å; L70-P85 HydrophobicContact CD1-CB 4Å; L70-I134 HydrophobicContact CD1-CD1 4.48Å; L70-I134 HydrophobicContact CD2-CB 3.72Å; L70-I134 HydrophobicContact CD2-CG2 3.79Å; L70-I134 HydrophobicContact CG-CB 3.95Å; L70-I134 HydrophobicContact CG-CD1 4.05Å; L70-I134 HydrophobicContact CG-CG2 4.36Å; L70-I134 PolarHBondContact N-O 2.8Å; L70-I134 PolarHBondContact O-N 2.97Å; L70-P136 HydrophobicContact CD2-CG 3.82Å
71K94.9Very high95.9Very high13 Ų1344.8 Ų44.86%0.05721%0.209CC..EExtended strand (participates in β ladder)trans-131.2145.7-176.4-76.2172.1165.9-175.70110.4Y73 C131 L132 Y133 T301 A302K71-Y73 HydrophobicContact CB-CD2 4.4Å; K71-Y73 HydrophobicContact CB-CE1 4.38Å; K71-Y73 HydrophobicContact CB-CE2 3.55Å; K71-Y73 HydrophobicContact CD-CE1 4.47Å; K71-Y73 VanDerWaalsContact CD-OH 3.3Å; K71-Y73 WeakPolarHBondContact CD-OH 3.09Å; K71-C131 HydrophobicContact CB-CB 4.47Å; K71-C131 HydrophobicContact CD-CB 4.49Å; K71-C131 WeakPolarHBondContact CD-SG 3.26Å; K71-C131 WeakPolarHBondContact CE-SG 3.47Å; K71-L132 WeakPolarHBondContact CA-O 3.11Å; K71-Y133 HydrophobicContact CG-CD2 3.95Å; K71-T301 HydrophobicContact CD-CG2 3.93Å; K71-T301 WeakPolarHBondContact CD-O 3.47Å; K71-T301 WeakPolarHBondContact CE-O 3.24Å; K71-T301 HydrophobicContact CG-CG2 3.86Å; K71-T301 PolarHBondContact NZ-O 3.43Å; K71-A302 PolarHBondContact NZ-O 2.68Å
72V95.8Very high95.8Very high0 Ų040.5 Ų40.50%019%0.189CC..EExtended strand (participates in β ladder)trans-108.8137164.358.70000109.8L80 R81 L82 I117 V124 C131 L132 I134 V352V72-L80 HydrophobicContact CG2-CB 4.05Å; V72-R81 WeakPolarHBondContact CA-O 3.26Å; V72-L82 HydrophobicContact CB-CD2 4Å; V72-I117 HydrophobicContact CB-CD1 4.37Å; V72-I117 HydrophobicContact CB-CG2 4.48Å; V72-I117 HydrophobicContact CG1-CG2 4.18Å; V72-I117 HydrophobicContact CG2-CG2 4.05Å; V72-V124 HydrophobicContact CG1-CG2 3.88Å; V72-C131 WeakPolarHBondContact O-CB 3.16Å; V72-L132 HydrophobicContact CG1-CB 3.64Å; V72-L132 HydrophobicContact CG1-CD2 4.24Å; V72-L132 HydrophobicContact CG1-CG 4.48Å; V72-L132 PolarHBondContact N-O 2.87Å; V72-L132 PolarHBondContact O-N 2.92Å; V72-L132 VanDerWaalsContact O-N 3.15Å; V72-I134 HydrophobicContact CB-CD1 4.13Å; V72-I134 HydrophobicContact CG1-CD1 4.12Å; V72-V352 HydrophobicContact CG2-CG2 4Å
73Y93.3Very high95.8Very high6 Ų636.9 Ų36.92%0.02418%0.175CC..EExtended strand (participates in β ladder)trans-118.2142.2-177-56.6-92.1000109.6K71 L80 R81 F83 C131 Q340 H341K71-Y73 HydrophobicContact CB-CD2 4.4Å; K71-Y73 HydrophobicContact CB-CE1 4.38Å; K71-Y73 HydrophobicContact CB-CE2 3.55Å; K71-Y73 HydrophobicContact CD-CE1 4.47Å; K71-Y73 VanDerWaalsContact CD-OH 3.3Å; K71-Y73 WeakPolarHBondContact CD-OH 3.09Å; Y73-L80 CarbonylContact O-C 3.55Å; Y73-L80 WeakPolarHBondContact O-CA 3.28Å; Y73-R81 PolarHBondContact N-O 3.3Å; Y73-R81 PolarHBondContact O-N 2.76Å; Y73-F83 HydrophobicContact CE2-CB 4.01Å; Y73-C131 HydrophobicContact CD1-CB 3.79Å; Y73-C131 HydrophobicContact CE1-CB 3.81Å; Y73-Q340 WeakPolarHBondContact CB-O 3.11Å; Y73-Q340 HydrophobicContact CD1-CB 4.02Å; Y73-Q340 HydrophobicContact CD2-CB 3.91Å; Y73-Q340 HydrophobicContact CD2-CG 4.06Å; Y73-Q340 HydrophobicContact CE1-CB 4.13Å; Y73-Q340 HydrophobicContact CE1-CG 4.27Å; Y73-Q340 HydrophobicContact CE2-CB 4.06Å; Y73-Q340 HydrophobicContact CE2-CG 3.73Å; Y73-Q340 HydrophobicContact CG-CB 3.89Å; Y73-Q340 HydrophobicContact CG-CG 4.48Å; Y73-Q340 VanDerWaalsContact CZ-CD 3.43Å; Y73-Q340 PolarHBondContact OH-NE2 3.43Å; Y73-Q340 PolarHBondContact OH-OE1 2.77Å; Y73-H341 AromaticContact CD1-CE1 3.87Å
74R93.3Very high95.7Very high33 Ų3336.9 Ų36.913%0.12517%0.168CC..EExtended strand (participates in β ladder)trans-93.1114.7167.1-172.3179.2-58.3-78.44.8108.1L80 Q121 V124 P125 H126 H341R74-L80 HydrophobicContact CB-CD2 3.89Å; R74-L80 HydrophobicContact CG-CD2 4.08Å; R74-Q121 PolarHBondContact NH2-O 3.48Å; R74-V124 HydrophobicContact CB-CG1 3.94Å; R74-V124 PolarHBondContact NE-O 3.06Å; R74-V124 PolarHBondContact NH2-O 3.35Å; R74-P125 PolarHBondContact NE-O 3.31Å; R74-H126 PolarHBondContact NE-ND1 3.01Å; R74-H341 PolarHBondContact O-CD2 3.08Å
75G92.1Very high95.7Very high5 Ų535.8 Ų35.85%0.05216%0.161CC..  trans-70.6166.9176.800000112.7D77 K78 R79 H341G75-D77 PolarHBondContact O-N 3.46Å; G75-K78 VanDerWaalsContact O-CA 3.31Å; G75-K78 WeakPolarHBondContact O-CA 3.24Å; G75-K78 PolarHBondContact O-N 2.82Å; G75-R79 PolarHBondContact N-O 2.72Å; G75-H341 WeakPolarHBondContact CA-O 3.26Å
76D88.5Confident95.7Very high106 Ų10636 Ų3657%0.56716%0.164SC*.THydrogen-bonded Turntrans-63.3-24176.3-62.1-12.3000111.3K78 H341 R343D76-K78 PolarHBondContact O-N 2.7Å; D76-H341 PolarHBondContact N-O 2.77Å; D76-R343 IonicContact OD1-NE 3.36Å; D76-R343 IonicContact OD1-NH2 2.76Å; D76-R343 PolarHBondContact OD1-NH2 3.26Å; D76-R343 WeakPolarHBondContact OD2-CG 3.38Å; D76-R343 IonicContact OD2-CZ 3.18Å; D76-R343 IonicContact OD2-NE 3.71Å; D76-R343 PolarHBondContact OD2-NE 3.36Å; D76-R343 IonicContact OD2-NH2 2.89Å
77D92.4Very high95.7Very high73 Ų7338.4 Ų38.439%0.3918%0.176SC..THydrogen-bonded Turntrans-80.7917172.9-15.6000114G75 R79 R81G75-D77 PolarHBondContact O-N 3.46Å; D77-R79 PolarHBondContact O-N 2.99Å; D77-R79 VanDerWaalsContact O-N 3.13Å; D77-R79 WeakPolarHBondContact OD1-CB 3.37Å; D77-R79 PolarHBondContact OD1-N 2.88Å; D77-R79 VanDerWaalsContact OD2-CD 3.28Å; D77-R79 WeakPolarHBondContact OD2-CD 3.45Å; D77-R79 WeakPolarHBondContact OD2-CG 3.4Å; D77-R79 IonicContact OD2-NE 3.77Å; D77-R81 IonicContact OD1-CZ 2.71Å; D77-R81 IonicContact OD1-NH1 2.69Å; D77-R81 PolarHBondContact OD1-NH1 2.8Å; D77-R81 IonicContact OD1-NH2 3.21Å; D77-R81 PolarHBondContact OD1-NH2 3.35Å; D77-R81 IonicContact OD2-CZ 2.75Å; D77-R81 IonicContact OD2-NH1 2.92Å; D77-R81 IonicContact OD2-NH2 3.02Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å
78K92.1Very high95.7Very high168 Ų16836.6 Ų36.673%0.7317%0.169SC*.SBendtrans65.80.4-177.7-51.7177.5-178.7178.80115.2G75 D76G75-K78 VanDerWaalsContact O-CA 3.31Å; G75-K78 WeakPolarHBondContact O-CA 3.24Å; G75-K78 PolarHBondContact O-N 2.82Å; D76-K78 PolarHBondContact O-N 2.7Å
79R94.4Very high95.7Very high150 Ų15036.6 Ų36.657%0.56617%0.169SC*.  trans-79.5143.8178.6-60.3-175.1-178.6-178.6-1.1111G75 D77 R81 L351G75-R79 PolarHBondContact N-O 2.72Å; D77-R79 PolarHBondContact O-N 2.99Å; D77-R79 VanDerWaalsContact O-N 3.13Å; D77-R79 WeakPolarHBondContact OD1-CB 3.37Å; D77-R79 PolarHBondContact OD1-N 2.88Å; D77-R79 VanDerWaalsContact OD2-CD 3.28Å; D77-R79 WeakPolarHBondContact OD2-CD 3.45Å; D77-R79 WeakPolarHBondContact OD2-CG 3.4Å; D77-R79 IonicContact OD2-NE 3.77Å; R79-R81 PolarHBondContact O-NH1 3.13Å; R79-L351 HydrophobicContact CB-CD2 4.03Å
80L96.2Very high95.7Very high17 Ų1740.2 Ų40.29%0.08919%0.185CC..EExtended strand (participates in β ladder)trans-87.1135.4178-63.1-170.8000110.9V72 Y73 R74 I117 Q121 V124 L351 V352V72-L80 HydrophobicContact CG2-CB 4.05Å; Y73-L80 CarbonylContact O-C 3.55Å; Y73-L80 WeakPolarHBondContact O-CA 3.28Å; R74-L80 HydrophobicContact CB-CD2 3.89Å; R74-L80 HydrophobicContact CG-CD2 4.08Å; L80-I117 HydrophobicContact CD1-CG2 3.91Å; L80-Q121 HydrophobicContact CD1-CB 3.82Å; L80-V124 HydrophobicContact CD1-CG2 4.2Å; L80-V124 HydrophobicContact CD2-CB 4.04Å; L80-V124 HydrophobicContact CD2-CG1 3.9Å; L80-V124 HydrophobicContact CD2-CG2 4.16Å; L80-L351 WeakPolarHBondContact O-CA 3.49Å; L80-V352 HydrophobicContact CB-CB 3.82Å; L80-V352 HydrophobicContact CB-CG2 3.87Å; L80-V352 PolarHBondContact O-N 2.8Å
81R96.9Very high95.9Very high21 Ų2140.9 Ų40.98%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-132.8131.6-176.8-71175.1-179.178.6-1.9111.7V72 Y73 D77 R79 Y350 L351V72-R81 WeakPolarHBondContact CA-O 3.26Å; Y73-R81 PolarHBondContact N-O 3.3Å; Y73-R81 PolarHBondContact O-N 2.76Å; D77-R81 IonicContact OD1-CZ 2.71Å; D77-R81 IonicContact OD1-NH1 2.69Å; D77-R81 PolarHBondContact OD1-NH1 2.8Å; D77-R81 IonicContact OD1-NH2 3.21Å; D77-R81 PolarHBondContact OD1-NH2 3.35Å; D77-R81 IonicContact OD2-CZ 2.75Å; D77-R81 IonicContact OD2-NH1 2.92Å; D77-R81 IonicContact OD2-NH2 3.02Å; D77-R81 PolarHBondContact OD2-NH2 3.18Å; R79-R81 PolarHBondContact O-NH1 3.13Å; R81-Y350 CarbonylContact C-O 3.6Å; R81-Y350 WeakPolarHBondContact CA-O 3.32Å; R81-L351 HydrophobicContact CG-CD2 3.9Å
82L97.8Very high96Very high0 Ų040.3 Ų40.30%019%0.185CC..EExtended strand (participates in β ladder)trans-89.7141.8162.8-69.6169.1000109.7L70 V72 P85 L110 K114 I117 I134 T349 Y350 V352L70-L82 HydrophobicContact CD1-CD2 4.11Å; V72-L82 HydrophobicContact CB-CD2 4Å; L82-P85 HydrophobicContact CB-CB 4.12Å; L82-P85 HydrophobicContact CB-CG 3.84Å; L82-P85 HydrophobicContact CD1-CB 4.28Å; L82-P85 HydrophobicContact CD1-CG 4.35Å; L82-L110 HydrophobicContact CD1-CD1 3.79Å; L82-K114 HydrophobicContact CD1-CG 4.18Å; L82-I117 HydrophobicContact CD1-CD1 4.14Å; L82-I117 HydrophobicContact CD2-CD1 3.79Å; L82-I117 HydrophobicContact CG-CD1 4.21Å; L82-I134 HydrophobicContact CD2-CD1 3.44Å; L82-I134 VanDerWaalsContact CD2-CD1 3.44Å; L82-T349 WeakPolarHBondContact O-CA 3.37Å; L82-Y350 PolarHBondContact N-O 2.67Å; L82-Y350 PolarHBondContact O-N 2.72Å; L82-V352 HydrophobicContact CD1-CG2 4.39Å; L82-V352 HydrophobicContact CG-CG2 4.05Å
83F97.3Very high96.2Very high14 Ų1441.8 Ų41.86%0.06120%0.195CC..EExtended strand (participates in β ladder)trans-101.1115.5178.3-176.4-102.2000111.4Y73 P85 V257 S261 L336 I339 Q340 W348 T349Y73-F83 HydrophobicContact CE2-CB 4.01Å; F83-P85 VanDerWaalsContact C-N 3.31Å; F83-V257 HydrophobicContact CD1-CG1 4.44Å; F83-V257 HydrophobicContact CE1-CG1 4.33Å; F83-S261 WeakPolarHBondContact CZ-OG 2.87Å; F83-L336 HydrophobicContact CE2-CD2 4.48Å; F83-L336 HydrophobicContact CZ-CD2 3.85Å; F83-I339 HydrophobicContact CD2-CG2 4.28Å; F83-I339 HydrophobicContact CE2-CG2 3.91Å; F83-Q340 HydrophobicContact CB-CG 4.17Å; F83-Q340 HydrophobicContact CD2-CG 3.67Å; F83-Q340 HydrophobicContact CE2-CG 4.25Å; F83-Q340 HydrophobicContact CG-CG 3.98Å; F83-W348 HydrophobicContact CD2-CB 4.44Å; F83-W348 HydrophobicContact CE2-CB 4.04Å; F83-W348 AromaticContact CE2-CE3 3.8Å; F83-W348 HydrophobicContact CE2-CE3 3.8Å; F83-W348 AromaticContact CZ-CE3 3.76Å; F83-W348 HydrophobicContact CZ-CE3 3.76Å; F83-W348 HydrophobicContact CZ-CZ3 4.35Å; F83-T349 HydrophobicContact CD2-CG2 4.5Å
84R98.1Very high96.4Very high36 Ų3646.8 Ų46.814%0.13622%0.218CC..SBendtrans41.146.3-178.5-53.5-172.885.2174.28.2114.5L86 L87 V257 S261 D264 W348R84-L86 PolarHBondContact O-N 3.09Å; R84-L86 VanDerWaalsContact O-N 3.14Å; R84-L87 HydrophobicContact CB-CD1 4.07Å; R84-L87 HydrophobicContact CB-CG 4.39Å; R84-L87 PolarHBondContact O-N 2.74Å; R84-L87 VanDerWaalsContact O-N 3.09Å; R84-V257 HydrophobicContact CB-CG1 3.84Å; R84-S261 WeakPolarHBondContact CD-OG 3.39Å; R84-S261 PolarHBondContact NH1-OG 2.69Å; R84-D264 IonicContact CZ-OD2 3.83Å; R84-D264 VanDerWaalsContact CZ-OD2 3.29Å; R84-D264 IonicContact NH1-OD2 2.78Å; R84-D264 PolarHBondContact NH1-OD2 3.48Å; R84-D264 IonicContact NH2-OD2 3.71Å; R84-D264 PolarHBondContact NH2-OD2 3.43Å; R84-W348 WeakPolarHBondContact CA-O 3.33Å; R84-W348 HydrophobicContact CG-CB 3.64Å; R84-W348 HydrophobicContact CG-CD2 4.4Å; R84-W348 HydrophobicContact CG-CG 3.88Å; R84-W348 PolarHBondContact N-O 2.71Å
85P98.4Very high96.7Very high0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-60.6-28.3-173.327.7-37.1000113.8L70 L82 F83 L87 N88 M89 L110 Y350L70-P85 HydrophobicContact CD1-CB 4Å; L82-P85 HydrophobicContact CB-CB 4.12Å; L82-P85 HydrophobicContact CB-CG 3.84Å; L82-P85 HydrophobicContact CD1-CB 4.28Å; L82-P85 HydrophobicContact CD1-CG 4.35Å; F83-P85 VanDerWaalsContact C-N 3.31Å; P85-L87 VanDerWaalsContact C-N 3.29Å; P85-L87 PolarHBondContact O-N 2.73Å; P85-N88 WeakPolarHBondContact O-CB 3.48Å; P85-N88 PolarHBondContact O-N 2.86Å; P85-N88 VanDerWaalsContact O-N 3.1Å; P85-M89 WeakPolarHBondContact O-CG 3.08Å; P85-M89 PolarHBondContact O-N 2.87Å; P85-L110 HydrophobicContact CB-CD1 3.76Å; P85-L110 HydrophobicContact CB-CD2 4.26Å; P85-L110 HydrophobicContact CG-CD1 4.22Å; P85-L110 HydrophobicContact CG-CD2 4.09Å; P85-Y350 HydrophobicContact CG-CD1 4.23Å; P85-Y350 HydrophobicContact CG-CD2 3.66Å; P85-Y350 HydrophobicContact CG-CE2 4.27Å; P85-Y350 HydrophobicContact CG-CG 3.65Å
86L98.1Very high97Very high71 Ų7145.1 Ų45.137%0.37221%0.21SC..Hα-helixtrans-62.9-34.6177.6-64.3-174.3000112.6R84 N88 M89 E90 L110 Y350R84-L86 PolarHBondContact O-N 3.09Å; R84-L86 VanDerWaalsContact O-N 3.14Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 2.94Å; L86-M89 PolarHBondContact O-N 2.93Å; L86-E90 PolarHBondContact O-N 2.79Å; L86-L110 HydrophobicContact CD2-CD2 3.73Å; L86-Y350 HydrophobicContact CD1-CE1 3.97Å; L86-Y350 WeakPolarHBondContact CD1-OH 3.37Å; L86-Y350 HydrophobicContact CG-CE1 4.05Å
87L98.4Very high97.5Very high51 Ų5147.4 Ų47.427%0.26722%0.217SC..Hα-helixtrans-66.1-33.4174.8-64.8-179.3000111.6R84 P85 R91 V257R84-L87 HydrophobicContact CB-CD1 4.07Å; R84-L87 HydrophobicContact CB-CG 4.39Å; R84-L87 PolarHBondContact O-N 2.74Å; R84-L87 VanDerWaalsContact O-N 3.09Å; P85-L87 VanDerWaalsContact C-N 3.29Å; P85-L87 PolarHBondContact O-N 2.73Å; L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 2.75Å; L87-R91 VanDerWaalsContact O-N 3.1Å; L87-V257 HydrophobicContact CB-CG1 4.48Å; L87-V257 HydrophobicContact CB-CG2 3.79Å; L87-V257 HydrophobicContact CD1-CG1 4.18Å
88N98.8Very high97.8Very high2 Ų250 Ų501%0.01122%0.222CC..Hα-helixtrans-68.1-42.6172-64.799.4000111.4E68 G69 P85 L86 R91 M92E68-N88 HydrophobicContact CG-CB 4.31Å; E68-N88 WeakPolarHBondContact CG-O 3.33Å; E68-N88 PolarHBondContact OE2-ND2 2.94Å; G69-N88 PolarHBondContact O-ND2 3.09Å; G69-N88 VanDerWaalsContact O-ND2 3.1Å; P85-N88 WeakPolarHBondContact O-CB 3.48Å; P85-N88 PolarHBondContact O-N 2.86Å; P85-N88 VanDerWaalsContact O-N 3.1Å; L86-N88 VanDerWaalsContact C-N 3.28Å; L86-N88 PolarHBondContact O-N 2.94Å; N88-R91 PolarHBondContact ND2-NH2 2.85Å; N88-R91 PolarHBondContact O-N 2.96Å; N88-M92 WeakPolarHBondContact O-CB 3.46Å; N88-M92 PolarHBondContact O-N 2.79Å
89M98.8Very high98.1Very high0 Ų042.7 Ų42.70%019%0.192CC..Hα-helixtrans-64.4-40.2178.3-61.3-60.291.700111.8P85 L86 M92 S93 Q106 L109 L110 I113P85-M89 WeakPolarHBondContact O-CG 3.08Å; P85-M89 PolarHBondContact O-N 2.87Å; L86-M89 PolarHBondContact O-N 2.93Å; M89-M92 PolarHBondContact O-N 2.83Å; M89-S93 WeakPolarHBondContact O-CB 3.37Å; M89-S93 PolarHBondContact O-N 2.81Å; M89-Q106 HydrophobicContact CB-CB 3.77Å; M89-Q106 HydrophobicContact CB-CG 3.98Å; M89-Q106 HydrophobicContact CG-CB 4.48Å; M89-L109 HydrophobicContact SD-CB 4.31Å; M89-L109 HydrophobicContact SD-CD2 3.8Å; M89-L109 HydrophobicContact SD-CG 3.97Å; M89-L110 HydrophobicContact CG-CB 4.36Å; M89-L110 HydrophobicContact SD-CB 4.47Å; M89-I113 HydrophobicContact CE-CD1 4.1Å; M89-I113 HydrophobicContact SD-CD1 4.32Å
90E98.7Very high98.3Very high76 Ų7638.9 Ų38.936%0.35519%0.188SC..Hα-helixtrans-61.6-46.9174.5-171.1-170.1164.600111.2L86 M92 S93 K94L86-E90 PolarHBondContact O-N 2.79Å; E90-M92 PolarHBondContact O-N 2.89Å; E90-S93 WeakPolarHBondContact O-CB 3.48Å; E90-S93 PolarHBondContact O-N 3.48Å; E90-K94 WeakPolarHBondContact O-CG 3.17Å; E90-K94 PolarHBondContact O-N 2.46Å; E90-K94 VanDerWaalsContact OE1-CE 3.25Å; E90-K94 WeakPolarHBondContact OE1-CE 3.36Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.11Å
91R98.8Very high98.5Very high17 Ų1738.5 Ų38.56%0.06419%0.186CC..Hα-helixtrans-67.1-35.7178.7-169.4173.164.6-143.6-8.6112.7E68 L87 N88 S95 P255E68-R91 IonicContact OE1-CZ 3.84Å; E68-R91 IonicContact OE1-NE 2.71Å; E68-R91 PolarHBondContact OE1-NE 2.9Å; E68-R91 IonicContact OE1-NH2 3.6Å; E68-R91 PolarHBondContact OE1-NH2 3.3Å; E68-R91 IonicContact OE2-CZ 2.68Å; E68-R91 IonicContact OE2-NE 2.81Å; E68-R91 IonicContact OE2-NH2 3.78Å; E68-R91 PolarHBondContact OE2-NH2 2.81Å; L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 2.75Å; L87-R91 VanDerWaalsContact O-N 3.1Å; N88-R91 PolarHBondContact ND2-NH2 2.85Å; N88-R91 PolarHBondContact O-N 2.96Å; R91-S95 WeakPolarHBondContact O-CB 3.34Å; R91-S95 PolarHBondContact O-N 3.04Å; R91-S95 PolarHBondContact O-OG 3.5Å; R91-P255 PolarHBondContact NH1-O 2.82Å
92M98.9Very high98.5Very high0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-63.4-43.5172.9-162.9177.8172.300111L66 E68 N88 M89 E90 S95 A96 F104 L109 P136 L138 L155L66-M92 HydrophobicContact CD1-CE 3.94Å; L66-M92 HydrophobicContact CD1-CG 3.6Å; E68-M92 HydrophobicContact CB-SD 4.48Å; E68-M92 HydrophobicContact CG-CB 3.66Å; E68-M92 HydrophobicContact CG-CG 4.05Å; E68-M92 HydrophobicContact CG-SD 4.39Å; N88-M92 WeakPolarHBondContact O-CB 3.46Å; N88-M92 PolarHBondContact O-N 2.79Å; M89-M92 PolarHBondContact O-N 2.83Å; E90-M92 PolarHBondContact O-N 2.89Å; M92-S95 PolarHBondContact O-N 3.48Å; M92-A96 WeakPolarHBondContact O-CB 3.48Å; M92-A96 PolarHBondContact O-N 3.18Å; M92-F104 HydrophobicContact CB-CZ 4.04Å; M92-F104 HydrophobicContact CE-CE1 4.34Å; M92-F104 HydrophobicContact CE-CZ 4.2Å; M92-F104 HydrophobicContact CG-CE1 4.34Å; M92-F104 HydrophobicContact CG-CZ 3.73Å; M92-F104 HydrophobicContact SD-CE1 4.48Å; M92-F104 HydrophobicContact SD-CE2 4.47Å; M92-F104 HydrophobicContact SD-CZ 3.78Å; M92-L109 HydrophobicContact CE-CD2 4.3Å; M92-L109 HydrophobicContact SD-CD2 3.77Å; M92-P136 HydrophobicContact CE-CB 3.97Å; M92-P136 HydrophobicContact SD-CB 3.8Å; M92-L138 HydrophobicContact CE-CB 3.96Å; M92-L155 HydrophobicContact CE-CD1 3.95Å; M92-L155 HydrophobicContact CE-CG 4.33Å
93S98.8Very high98.6Very high31 Ų3141.9 Ų41.922%0.21722%0.217CC..Hα-helixtrans-62-46.9177.5179.40000111.8M89 E90 S95 A96 E97M89-S93 WeakPolarHBondContact O-CB 3.37Å; M89-S93 PolarHBondContact O-N 2.81Å; E90-S93 WeakPolarHBondContact O-CB 3.48Å; E90-S93 PolarHBondContact O-N 3.48Å; S93-S95 VanDerWaalsContact C-N 3.34Å; S93-S95 PolarHBondContact O-N 2.91Å; S93-A96 WeakPolarHBondContact O-CB 3.44Å; S93-A96 PolarHBondContact O-N 2.79Å; S93-A96 VanDerWaalsContact O-N 3.14Å; S93-E97 PolarHBondContact O-N 3.47Å
94K98.7Very high98.6Very high112 Ų11242.5 Ų42.549%0.48722%0.22SC..Hα-helixtrans-59.9-42.1174.1-71177.5-175.7169.20112.4E90 A96 E97 R98E90-K94 WeakPolarHBondContact O-CG 3.17Å; E90-K94 PolarHBondContact O-N 2.46Å; E90-K94 VanDerWaalsContact OE1-CE 3.25Å; E90-K94 WeakPolarHBondContact OE1-CE 3.36Å; E90-K94 IonicContact OE1-NZ 2.68Å; E90-K94 PolarHBondContact OE1-NZ 3.11Å; K94-A96 VanDerWaalsContact C-N 3.31Å; K94-A96 PolarHBondContact O-N 3.44Å; K94-E97 PolarHBondContact O-N 2.68Å; K94-R98 PolarHBondContact O-N 2.8Å
95S98.9Very high98.7Very high1 Ų145.1 Ų45.11%0.00724%0.237CC..Hα-helixtrans-64.7-36.8176.5-57.40000111.5L66 R91 M92 S93 R98 A99 K190L66-S95 VanDerWaalsContact CD2-C 3.4Å; R91-S95 WeakPolarHBondContact O-CB 3.34Å; R91-S95 PolarHBondContact O-N 3.04Å; R91-S95 PolarHBondContact O-OG 3.5Å; M92-S95 PolarHBondContact O-N 3.48Å; S93-S95 VanDerWaalsContact C-N 3.34Å; S93-S95 PolarHBondContact O-N 2.91Å; S95-R98 PolarHBondContact O-N 3.49Å; S95-A99 VanDerWaalsContact O-CB 3.26Å; S95-A99 WeakPolarHBondContact O-CB 3.37Å; S95-A99 PolarHBondContact O-N 3.08Å; S95-K190 PolarHBondContact OG-N 3.26Å
96A98.9Very high98.7Very high1 Ų148.1 Ų48.11%0.00825%0.251CS..Hα-helixtrans-67.6-42.7179.500000111.3L66 M92 S93 K94 A99 C100 L101 F104 L138L66-A96 HydrophobicContact CD2-CB 3.78Å; L66-A96 VanDerWaalsContact CD2-N 3.26Å; M92-A96 WeakPolarHBondContact O-CB 3.48Å; M92-A96 PolarHBondContact O-N 3.18Å; S93-A96 WeakPolarHBondContact O-CB 3.44Å; S93-A96 PolarHBondContact O-N 2.79Å; S93-A96 VanDerWaalsContact O-N 3.14Å; K94-A96 VanDerWaalsContact C-N 3.31Å; K94-A96 PolarHBondContact O-N 3.44Å; A96-A99 CarbonylContact O-C 3.5Å; A96-A99 PolarHBondContact O-N 3.26Å; A96-C100 PolarHBondContact O-N 3Å; A96-C100 VanDerWaalsContact O-N 3.15Å; A96-L101 HydrophobicContact CB-CB 4.3Å; A96-L101 PolarHBondContact O-N 3.25Å; A96-F104 HydrophobicContact CB-CE1 4.29Å; A96-L138 HydrophobicContact CB-CD2 4Å
97E98.8Very high98.7Very high154 Ų15448.1 Ų48.172%0.7226%0.257SS*.Hα-helixtrans-58.2-51.3172.3-176.6178.9-170.500111.2S93 K94 A99 C100S93-E97 PolarHBondContact O-N 3.47Å; K94-E97 PolarHBondContact O-N 2.68Å; E97-A99 PolarHBondContact O-N 3.46Å; E97-C100 PolarHBondContact O-N 3.15Å
98R98.6Very high98.7Very high129 Ų12949.8 Ų49.849%0.48726%0.263SS..Hα-helixtrans-59.1-34.8178.5-174.759.9165164.8-1.1112.7K94 S95 C100 G184 G185 T186 M191K94-R98 PolarHBondContact O-N 2.8Å; S95-R98 PolarHBondContact O-N 3.49Å; R98-C100 VanDerWaalsContact C-N 3.31Å; R98-G184 PolarHBondContact NH2-O 2.96Å; R98-G184 VanDerWaalsContact NH2-O 3.13Å; R98-G185 PolarHBondContact NH2-O 3.42Å; R98-T186 HydrophobicContact CG-CG2 4.19Å; R98-M191 HydrophobicContact CB-SD 4.31Å; R98-M191 HydrophobicContact CG-SD 3.87Å
99A98.6Very high98.7Very high13 Ų1350.2 Ų50.211%0.10727%0.265CS..THydrogen-bonded Turntrans-84.52.8178.600000114.2L66 S95 A96 E97 L101 M191L66-A99 HydrophobicContact CD2-CB 4.3Å; S95-A99 VanDerWaalsContact O-CB 3.26Å; S95-A99 WeakPolarHBondContact O-CB 3.37Å; S95-A99 PolarHBondContact O-N 3.08Å; A96-A99 CarbonylContact O-C 3.5Å; A96-A99 PolarHBondContact O-N 3.26Å; E97-A99 PolarHBondContact O-N 3.46Å; A99-L101 HydrophobicContact CB-CB 4.48Å; A99-L101 HydrophobicContact CB-CD1 3.79Å; A99-L101 HydrophobicContact CB-CG 4.17Å; A99-L101 PolarHBondContact O-N 3.29Å; A99-M191 HydrophobicContact CB-CE 3.95Å; A99-M191 HydrophobicContact CB-SD 4.46Å
100C98.5Very high98.7Very high70 Ų7050.9 Ų50.947%0.47327%0.269SS..THydrogen-bonded Turntrans56.425.8-173.7-61.20000114A96 E97 R98 K149A96-C100 PolarHBondContact O-N 3Å; A96-C100 VanDerWaalsContact O-N 3.15Å; E97-C100 PolarHBondContact O-N 3.15Å; R98-C100 VanDerWaalsContact C-N 3.31Å; C100-K149 HydrophobicContact CB-CG 4.19Å
101L98.9Very high98.7Very high9 Ų948.5 Ų48.55%0.04726%0.264CS..PPolyproline II helixtrans-86159.4176.6-81.2164000110.7V64 L66 A96 A99 A103 L138 P150 A153V64-L101 HydrophobicContact CG1-CD1 4.36Å; V64-L101 HydrophobicContact CG1-CD2 4.16Å; V64-L101 HydrophobicContact CG1-CG 4.15Å; L66-L101 HydrophobicContact CD2-CD1 3.85Å; L66-L101 HydrophobicContact CG-CD1 4.36Å; A96-L101 HydrophobicContact CB-CB 4.3Å; A96-L101 PolarHBondContact O-N 3.25Å; A99-L101 HydrophobicContact CB-CB 4.48Å; A99-L101 HydrophobicContact CB-CD1 3.79Å; A99-L101 HydrophobicContact CB-CG 4.17Å; A99-L101 PolarHBondContact O-N 3.29Å; L101-A103 PolarHBondContact O-N 2.96Å; L101-L138 HydrophobicContact CB-CD2 3.88Å; L101-L138 HydrophobicContact CB-CG 4.29Å; L101-L138 HydrophobicContact CD1-CD2 4.29Å; L101-L138 HydrophobicContact CD1-CG 3.94Å; L101-L138 HydrophobicContact CD2-CG 4.3Å; L101-L138 HydrophobicContact CG-CG 4.4Å; L101-P150 HydrophobicContact CD2-CG 4.04Å; L101-A153 HydrophobicContact CD2-CB 3.89Å
102P98.7Very high98.7Very high11 Ų1147.9 Ų47.97%0.07126%0.262CS..PPolyproline II helixtrans-63.3136-177.726.4-35.9000112W34 W40 A153W34-P102 HydrophobicContact CB-CG 4.15Å; W34-P102 HydrophobicContact CD2-CB 3.63Å; W34-P102 HydrophobicContact CD2-CG 3.6Å; W34-P102 HydrophobicContact CE3-CB 4.18Å; W34-P102 HydrophobicContact CE3-CG 3.86Å; W34-P102 HydrophobicContact CG-CB 3.85Å; W34-P102 HydrophobicContact CG-CG 3.7Å; W34-P102 HydrophobicContact CZ2-CB 4.03Å; W34-P102 HydrophobicContact CZ3-CG 4.5Å; W40-P102 HydrophobicContact CH2-CG 3.91Å; W40-P102 HydrophobicContact CZ2-CB 3.84Å; W40-P102 HydrophobicContact CZ2-CG 3.61Å; P102-A153 HydrophobicContact CG-CB 3.85Å
103A98.5Very high98.7Very high81 Ų8147.9 Ų47.967%0.66926%0.262SS*.PPolyproline II helixtrans-67.8153.5169.800000110.8W40 L101W40-A103 PolarHBondContact NE1-O 3.43Å; L101-A103 PolarHBondContact O-N 2.96Å
104F98.7Very high98.6Very high27 Ų2749.2 Ų49.212%0.11826%0.264CS..  trans-142157.8178.153.9-94.3000109.8W40 M92 A96 Q106 L109 L138 L155W40-F104 HydrophobicContact CZ2-CB 3.96Å; W40-F104 HydrophobicContact CZ2-CD1 4.27Å; M92-F104 HydrophobicContact CB-CZ 4.04Å; M92-F104 HydrophobicContact CE-CE1 4.34Å; M92-F104 HydrophobicContact CE-CZ 4.2Å; M92-F104 HydrophobicContact CG-CE1 4.34Å; M92-F104 HydrophobicContact CG-CZ 3.73Å; M92-F104 HydrophobicContact SD-CE1 4.48Å; M92-F104 HydrophobicContact SD-CE2 4.47Å; M92-F104 HydrophobicContact SD-CZ 3.78Å; A96-F104 HydrophobicContact CB-CE1 4.29Å; F104-Q106 PolarHBondContact O-N 3.02Å; F104-L109 HydrophobicContact CD2-CB 4.09Å; F104-L109 HydrophobicContact CD2-CD2 3.84Å; F104-L109 HydrophobicContact CE2-CB 4.34Å; F104-L109 HydrophobicContact CE2-CD2 3.42Å; F104-L109 VanDerWaalsContact CE2-CD2 3.42Å; F104-L109 HydrophobicContact CZ-CD2 3.94Å; F104-L138 HydrophobicContact CD1-CD2 4.38Å; F104-L138 HydrophobicContact CE1-CD2 4.13Å; F104-L155 HydrophobicContact CD1-CD1 4.24Å; F104-L155 HydrophobicContact CE1-CD1 4.4Å
105D98.6Very high98.6Very high91 Ų9149 Ų4949%0.48726%0.26SS..  trans-73.8121.1172.7-172.6-59.2000110S107 E108 L109D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 2.98Å; D105-S107 WeakPolarHBondContact OD1-CA 3.46Å; D105-S107 WeakPolarHBondContact OD1-CB 3.46Å; D105-S107 PolarHBondContact OD1-N 3.3Å; D105-S107 PolarHBondContact OD1-OG 3.05Å; D105-E108 HydrophobicContact CB-CB 3.94Å; D105-E108 HydrophobicContact CB-CG 3.78Å; D105-E108 PolarHBondContact O-N 3.37Å; D105-E108 PolarHBondContact OD1-N 2.98Å; D105-L109 PolarHBondContact O-N 3.45Å
106Q98.4Very high98.6Very high64 Ų6448.9 Ų48.930%0.29926%0.26SS..Hα-helixtrans-63.6-36.9-176.4-66.7179.931.800112.4M89 F104 L110M89-Q106 HydrophobicContact CB-CB 3.77Å; M89-Q106 HydrophobicContact CB-CG 3.98Å; M89-Q106 HydrophobicContact CG-CB 4.48Å; F104-Q106 PolarHBondContact O-N 3.02Å; Q106-L110 WeakPolarHBondContact O-CB 3.39Å; Q106-L110 PolarHBondContact O-N 3.46Å; Q106-L110 VanDerWaalsContact O-N 3.08Å
107S98.1Very high98.6Very high71 Ų7148.9 Ų48.950%0.49726%0.26SS..Hα-helixtrans-73.6-37.6-179.872.90000111.6D105 L110 G111D105-S107 VanDerWaalsContact C-N 3.32Å; D105-S107 PolarHBondContact O-N 2.98Å; D105-S107 WeakPolarHBondContact OD1-CA 3.46Å; D105-S107 WeakPolarHBondContact OD1-CB 3.46Å; D105-S107 PolarHBondContact OD1-N 3.3Å; D105-S107 PolarHBondContact OD1-OG 3.05Å; S107-L110 PolarHBondContact O-N 2.8Å; S107-G111 PolarHBondContact O-N 2.82Å
108E98.6Very high98.6Very high86 Ų8644.7 Ų44.740%0.40224%0.24SC..Hα-helixtrans-67.1-42.9176.2-67.9-63.8145.700111.9A1 D105 G111 C112A1-E108 WeakPolarHBondContact CA-OE2 3.26Å; A1-E108 WeakPolarHBondContact CB-OE2 3.48Å; A1-E108 PolarHBondContact N-OE2 3.02Å; D105-E108 HydrophobicContact CB-CB 3.94Å; D105-E108 HydrophobicContact CB-CG 3.78Å; D105-E108 PolarHBondContact O-N 3.37Å; D105-E108 PolarHBondContact OD1-N 2.98Å; E108-G111 PolarHBondContact O-N 3.29Å; E108-C112 PolarHBondContact O-N 2.81Å; E108-C112 PolarHBondContact O-SG 2.8Å; E108-C112 VanDerWaalsContact O-SG 3.36Å
109L98.8Very high98.5Very high11 Ų1140.2 Ų40.26%0.05823%0.226CC..Hα-helixtrans-63-44.2174.7176.958.8000111L30 M89 M92 F104 D105 G111 C112 I113 L155L30-L109 HydrophobicContact CD2-CD1 4.19Å; M89-L109 HydrophobicContact SD-CB 4.31Å; M89-L109 HydrophobicContact SD-CD2 3.8Å; M89-L109 HydrophobicContact SD-CG 3.97Å; M92-L109 HydrophobicContact CE-CD2 4.3Å; M92-L109 HydrophobicContact SD-CD2 3.77Å; F104-L109 HydrophobicContact CD2-CB 4.09Å; F104-L109 HydrophobicContact CD2-CD2 3.84Å; F104-L109 HydrophobicContact CE2-CB 4.34Å; F104-L109 HydrophobicContact CE2-CD2 3.42Å; F104-L109 VanDerWaalsContact CE2-CD2 3.42Å; F104-L109 HydrophobicContact CZ-CD2 3.94Å; D105-L109 PolarHBondContact O-N 3.45Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 2.74Å; L109-C112 PolarHBondContact O-N 2.89Å; L109-I113 HydrophobicContact CD1-CD1 4.23Å; L109-I113 HydrophobicContact CD1-CG1 4.35Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 WeakPolarHBondContact O-CG1 3.2Å; L109-I113 PolarHBondContact O-N 2.94Å; L109-L155 HydrophobicContact CD1-CD1 4.1Å; L109-L155 HydrophobicContact CD1-CD2 3.59Å; L109-L155 HydrophobicContact CD2-CD1 3.97Å
110L98.6Very high98.5Very high14 Ų1439.9 Ų39.97%0.07322%0.222CC..Hα-helixtrans-60.1-42.2175.6-17857.7000111.2L82 P85 L86 M89 Q106 S107 C112 I113 K114L82-L110 HydrophobicContact CD1-CD1 3.79Å; P85-L110 HydrophobicContact CB-CD1 3.76Å; P85-L110 HydrophobicContact CB-CD2 4.26Å; P85-L110 HydrophobicContact CG-CD1 4.22Å; P85-L110 HydrophobicContact CG-CD2 4.09Å; L86-L110 HydrophobicContact CD2-CD2 3.73Å; M89-L110 HydrophobicContact CG-CB 4.36Å; M89-L110 HydrophobicContact SD-CB 4.47Å; Q106-L110 WeakPolarHBondContact O-CB 3.39Å; Q106-L110 PolarHBondContact O-N 3.46Å; Q106-L110 VanDerWaalsContact O-N 3.08Å; S107-L110 PolarHBondContact O-N 2.8Å; L110-C112 VanDerWaalsContact C-N 3.34Å; L110-C112 PolarHBondContact O-N 2.94Å; L110-I113 PolarHBondContact O-N 3.09Å; L110-K114 HydrophobicContact CD1-CG 4.43Å; L110-K114 VanDerWaalsContact O-CG 3.31Å; L110-K114 WeakPolarHBondContact O-CG 3.32Å; L110-K114 PolarHBondContact O-N 3.09Å
111G98.6Very high98.3Very high25 Ų2540.7 Ų40.726%0.25822%0.219SC..Hα-helixtrans-57.3-43.7173.900000113S107 E108 L109 K114 R115S107-G111 PolarHBondContact O-N 2.82Å; E108-G111 PolarHBondContact O-N 3.29Å; L109-G111 VanDerWaalsContact C-N 3.3Å; L109-G111 PolarHBondContact O-N 2.74Å; G111-K114 PolarHBondContact O-N 2.82Å; G111-R115 PolarHBondContact O-N 3.08Å
112C98.8Very high98.1Very high4 Ų445 Ų453%0.02724%0.242CC..Hα-helixtrans-64.7-41.2174.7-660000112.6A1 L30 E108 L109 L110 R115 L116A1-C112 VanDerWaalsContact CA-SG 3.57Å; L30-C112 HydrophobicContact CD1-CB 4.12Å; L30-C112 HydrophobicContact CD2-CB 3.58Å; E108-C112 PolarHBondContact O-N 2.81Å; E108-C112 PolarHBondContact O-SG 2.8Å; E108-C112 VanDerWaalsContact O-SG 3.36Å; L109-C112 PolarHBondContact O-N 2.89Å; L110-C112 VanDerWaalsContact C-N 3.34Å; L110-C112 PolarHBondContact O-N 2.94Å; C112-R115 PolarHBondContact O-N 2.88Å; C112-L116 PolarHBondContact O-N 2.76Å
113I98.8Very high97.8Very high0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-62.6-45176-70.4167.8000110.7M89 L109 L110 R115 L116 I117 I134 P136 V157M89-I113 HydrophobicContact CE-CD1 4.1Å; M89-I113 HydrophobicContact SD-CD1 4.32Å; L109-I113 HydrophobicContact CD1-CD1 4.23Å; L109-I113 HydrophobicContact CD1-CG1 4.35Å; L109-I113 HydrophobicContact CG-CD1 4.01Å; L109-I113 WeakPolarHBondContact O-CG1 3.2Å; L109-I113 PolarHBondContact O-N 2.94Å; L110-I113 PolarHBondContact O-N 3.09Å; I113-R115 VanDerWaalsContact C-N 3.3Å; I113-R115 PolarHBondContact O-N 3.41Å; I113-L116 WeakPolarHBondContact O-CB 3.36Å; I113-L116 PolarHBondContact O-N 3.01Å; I113-I117 HydrophobicContact CG2-CD1 3.85Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 VanDerWaalsContact O-CG1 3.31Å; I113-I117 WeakPolarHBondContact O-CG1 3.33Å; I113-I117 PolarHBondContact O-N 2.81Å; I113-I134 HydrophobicContact CG2-CD1 4.46Å; I113-I134 HydrophobicContact CG2-CG2 4.05Å; I113-P136 HydrophobicContact CD1-CG 4Å; I113-V157 HydrophobicContact CD1-CG2 4.36Å; I113-V157 HydrophobicContact CG1-CG1 4.33Å; I113-V157 HydrophobicContact CG1-CG2 3.96Å
114K98.6Very high97.4Very high59 Ų5940.8 Ų40.826%0.25721%0.207SC..Hα-helixtrans-56.4-46.6175.6-71.2-175.478.5-160.90110.9L82 L110 G111 L116 I117 E118 L351 V352L82-K114 HydrophobicContact CD1-CG 4.18Å; L110-K114 HydrophobicContact CD1-CG 4.43Å; L110-K114 VanDerWaalsContact O-CG 3.31Å; L110-K114 WeakPolarHBondContact O-CG 3.32Å; L110-K114 PolarHBondContact O-N 3.09Å; G111-K114 PolarHBondContact O-N 2.82Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 2.8Å; K114-I117 WeakPolarHBondContact O-CB 3.05Å; K114-I117 PolarHBondContact O-N 3.31Å; K114-I117 VanDerWaalsContact O-N 3.15Å; K114-E118 WeakPolarHBondContact O-CG 3.26Å; K114-E118 PolarHBondContact O-N 3.5Å; K114-L351 WeakPolarHBondContact CE-O 3.28Å; K114-L351 PolarHBondContact NZ-O 3.14Å; K114-V352 HydrophobicContact CB-CG1 4.39Å; K114-V352 VanDerWaalsContact CE-CA 3.43Å; K114-V352 WeakPolarHBondContact CE-OXT 3.25Å; K114-V352 PolarHBondContact NZ-OXT 3.25Å
115R98.7Very high96.7Very high107 Ų10741 Ų4140%0.40421%0.212SC..Hα-helixtrans-63-37.3178-173.454.6179.4153.66.7113.2L4 I45 G111 C112 I113 E118 I119L4-R115 HydrophobicContact CD2-CB 3.67Å; L4-R115 HydrophobicContact CD2-CG 3.45Å; L4-R115 VanDerWaalsContact CD2-CG 3.45Å; I45-R115 HydrophobicContact CD1-CB 4.27Å; I45-R115 HydrophobicContact CD1-CG 4.04Å; G111-R115 PolarHBondContact O-N 3.08Å; C112-R115 PolarHBondContact O-N 2.88Å; I113-R115 VanDerWaalsContact C-N 3.3Å; I113-R115 PolarHBondContact O-N 3.41Å; R115-E118 WeakPolarHBondContact CD-OE2 3.18Å; R115-E118 IonicContact CZ-OE2 2.75Å; R115-E118 IonicContact NE-OE2 2.89Å; R115-E118 IonicContact NH1-OE2 4Å; R115-E118 PolarHBondContact NH1-OE2 2.99Å; R115-E118 PolarHBondContact O-N 2.86Å; R115-I119 HydrophobicContact CG-CD1 4.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.44Å; R115-I119 PolarHBondContact O-N 3.36Å
116L98.8Very high95.9Very high0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-62.9-43.7173.2177.463.3000111.7H28 L30 I45 C112 I113 K114 E118 I119 D120 V157 M159H28-L116 HydrophobicContact CB-CD1 3.84Å; L30-L116 HydrophobicContact CB-CD2 4.14Å; I45-L116 HydrophobicContact CD1-CB 3.89Å; I45-L116 HydrophobicContact CD1-CD1 4.42Å; I45-L116 HydrophobicContact CG1-CB 4.37Å; I45-L116 HydrophobicContact CG1-CD1 4.28Å; I45-L116 HydrophobicContact CG2-CD1 3.97Å; C112-L116 PolarHBondContact O-N 2.76Å; I113-L116 WeakPolarHBondContact O-CB 3.36Å; I113-L116 PolarHBondContact O-N 3.01Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 2.8Å; L116-E118 VanDerWaalsContact C-N 3.35Å; L116-E118 PolarHBondContact O-N 3.18Å; L116-I119 PolarHBondContact O-N 3.15Å; L116-D120 PolarHBondContact O-N 3.06Å; L116-V157 HydrophobicContact CD2-CB 4.11Å; L116-V157 HydrophobicContact CD2-CG1 4.03Å; L116-M159 HydrophobicContact CD1-CE 4.24Å; L116-M159 HydrophobicContact CD2-CE 4.2Å; L116-M159 HydrophobicContact CD2-CG 4.26Å; L116-M159 HydrophobicContact CD2-SD 4.31Å; L116-M159 HydrophobicContact CG-CE 3.68Å; L116-M159 HydrophobicContact CG-SD 4.2Å
117I98.3Very high94.4Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-63-41.1176.6-62.8160.5000111.2V72 L80 L82 I113 K114 I119 D120 Q121 I134 M159 V352V72-I117 HydrophobicContact CB-CD1 4.37Å; V72-I117 HydrophobicContact CB-CG2 4.48Å; V72-I117 HydrophobicContact CG1-CG2 4.18Å; V72-I117 HydrophobicContact CG2-CG2 4.05Å; L80-I117 HydrophobicContact CD1-CG2 3.91Å; L82-I117 HydrophobicContact CD1-CD1 4.14Å; L82-I117 HydrophobicContact CD2-CD1 3.79Å; L82-I117 HydrophobicContact CG-CD1 4.21Å; I113-I117 HydrophobicContact CG2-CD1 3.85Å; I113-I117 HydrophobicContact CG2-CG1 4.44Å; I113-I117 VanDerWaalsContact O-CG1 3.31Å; I113-I117 WeakPolarHBondContact O-CG1 3.33Å; I113-I117 PolarHBondContact O-N 2.81Å; K114-I117 WeakPolarHBondContact O-CB 3.05Å; K114-I117 PolarHBondContact O-N 3.31Å; K114-I117 VanDerWaalsContact O-N 3.15Å; I117-I119 VanDerWaalsContact C-N 3.3Å; I117-I119 PolarHBondContact O-N 2.81Å; I117-D120 CarbonylContact O-C 3.56Å; I117-D120 PolarHBondContact O-N 2.7Å; I117-Q121 WeakPolarHBondContact O-CA 3.32Å; I117-Q121 WeakPolarHBondContact O-CB 3.48Å; I117-Q121 PolarHBondContact O-N 3.05Å; I117-I134 HydrophobicContact CD1-CD1 3.63Å; I117-I134 HydrophobicContact CG1-CD1 4.18Å; I117-M159 HydrophobicContact CG1-SD 3.68Å; I117-V352 HydrophobicContact CB-CG1 3.93Å; I117-V352 HydrophobicContact CD1-CG2 4.19Å; I117-V352 HydrophobicContact CG2-CB 4.46Å; I117-V352 HydrophobicContact CG2-CG1 3.8Å; I117-V352 HydrophobicContact CG2-CG2 4.11Å
118E97.9Very high93Very high67 Ų6746.6 Ų46.631%0.31325%0.247SC..Hα-helixtrans-60.6-39.3177.1-71.2169.9-175.100112.5K114 R115 L116 Q121 V352K114-E118 WeakPolarHBondContact O-CG 3.26Å; K114-E118 PolarHBondContact O-N 3.5Å; R115-E118 WeakPolarHBondContact CD-OE2 3.18Å; R115-E118 IonicContact CZ-OE2 2.75Å; R115-E118 IonicContact NE-OE2 2.89Å; R115-E118 IonicContact NH1-OE2 4Å; R115-E118 PolarHBondContact NH1-OE2 2.99Å; R115-E118 PolarHBondContact O-N 2.86Å; L116-E118 VanDerWaalsContact C-N 3.35Å; L116-E118 PolarHBondContact O-N 3.18Å; E118-Q121 WeakPolarHBondContact O-CG 3.5Å; E118-Q121 PolarHBondContact O-NE2 3.44Å; E118-V352 HydrophobicContact CG-CG1 3.91Å
119I98.2Very high91.4Very high35 Ų3546.7 Ų46.718%0.17926%0.255CS..Hα-helixtrans-68.3-45.4178.7-70.8164.9000110.4V6 L8 I45 R115 L116 I117 Q121V6-I119 HydrophobicContact CG1-CD1 3.65Å; V6-I119 HydrophobicContact CG2-CD1 4.03Å; L8-I119 HydrophobicContact CD2-CG2 3.75Å; I45-I119 HydrophobicContact CB-CD1 4.45Å; I45-I119 HydrophobicContact CD1-CD1 3.79Å; I45-I119 HydrophobicContact CG2-CD1 3.89Å; R115-I119 HydrophobicContact CG-CD1 4.31Å; R115-I119 WeakPolarHBondContact O-CG1 3.44Å; R115-I119 PolarHBondContact O-N 3.36Å; L116-I119 PolarHBondContact O-N 3.15Å; I117-I119 VanDerWaalsContact C-N 3.3Å; I117-I119 PolarHBondContact O-N 2.81Å; I119-Q121 VanDerWaalsContact C-N 3.34Å
120D97.4Very high90.3Very high5 Ų547.8 Ų47.83%0.02727%0.266CS..THydrogen-bonded Turntrans-95.823.2-179-80.3-15.3000112.8T26 H28 L116 I117 D122 W123 M159T26-D120 WeakPolarHBondContact CB-OD2 3.35Å; T26-D120 HydrophobicContact CG2-CB 4.45Å; T26-D120 PolarHBondContact OG1-OD2 3.44Å; H28-D120 IonicContact CE1-OD1 3.64Å; H28-D120 IonicContact CG-OD1 3.65Å; H28-D120 PolarHBondContact N-OD2 3.14Å; H28-D120 VanDerWaalsContact N-OD2 3.07Å; H28-D120 IonicContact ND1-OD1 3.89Å; H28-D120 PolarHBondContact ND1-OD1 2.89Å; H28-D120 IonicContact ND1-OD2 3.73Å; L116-D120 PolarHBondContact O-N 3.06Å; I117-D120 CarbonylContact O-C 3.56Å; I117-D120 PolarHBondContact O-N 2.7Å; D120-D122 PolarHBondContact O-N 3.26Å; D120-W123 VanDerWaalsContact O-CB 3.26Å; D120-W123 WeakPolarHBondContact O-CB 3.18Å; D120-W123 PolarHBondContact O-N 3.26Å; D120-M159 HydrophobicContact CB-CE 3.47Å; D120-M159 VanDerWaalsContact CB-CE 3.47Å
121Q95.2Very high89.6Confident87 Ų8747.4 Ų47.441%0.40726%0.264SS..G310 helixtrans-59.8-29-17067.4-178.1-77.800113.9R74 L80 I117 E118 I119 W123 V124R74-Q121 PolarHBondContact NH2-O 3.48Å; L80-Q121 HydrophobicContact CD1-CB 3.82Å; I117-Q121 WeakPolarHBondContact O-CA 3.32Å; I117-Q121 WeakPolarHBondContact O-CB 3.48Å; I117-Q121 PolarHBondContact O-N 3.05Å; E118-Q121 WeakPolarHBondContact O-CG 3.5Å; E118-Q121 PolarHBondContact O-NE2 3.44Å; I119-Q121 VanDerWaalsContact C-N 3.34Å; Q121-W123 PolarHBondContact O-N 2.78Å; Q121-V124 WeakPolarHBondContact O-CB 3.26Å; Q121-V124 PolarHBondContact O-N 3.31Å; Q121-V124 VanDerWaalsContact O-N 3.07Å
122D93Very high89.3Confident100 Ų10046.2 Ų46.254%0.53525%0.251SS..G310 helixtrans-68.9-15.5178.5-66.7-18.5000112.3K15 D120 V124K15-D122 WeakPolarHBondContact CD-O 3.5Å; K15-D122 WeakPolarHBondContact CE-O 3.46Å; D120-D122 PolarHBondContact O-N 3.26Å; D122-V124 VanDerWaalsContact C-N 3.3Å
123W93.4Very high89.2Confident4 Ų446.6 Ų46.62%0.01525%0.253CS..G310 helixtrans-75.9-18.7171.9-73.388.5000113.2K13 K15 V24 T26 D27 D120 Q121 P125 L132 Q161K13-W123 HydrophobicContact CB-CH2 3.9Å; K13-W123 HydrophobicContact CB-CZ2 3.85Å; K13-W123 HydrophobicContact CD-CH2 4.24Å; K13-W123 HydrophobicContact CD-CZ2 4.24Å; K15-W123 HydrophobicContact CD-CD2 4.46Å; K15-W123 HydrophobicContact CG-CD2 4.03Å; K15-W123 HydrophobicContact CG-CE3 3.96Å; K15-W123 HydrophobicContact CG-CH2 4.17Å; K15-W123 HydrophobicContact CG-CZ2 4.23Å; K15-W123 HydrophobicContact CG-CZ3 4.03Å; V24-W123 HydrophobicContact CG1-CH2 4.42Å; V24-W123 HydrophobicContact CG1-CZ3 3.88Å; T26-W123 HydrophobicContact CG2-CB 3.6Å; T26-W123 HydrophobicContact CG2-CD2 3.71Å; T26-W123 HydrophobicContact CG2-CE3 4.1Å; T26-W123 HydrophobicContact CG2-CG 3.47Å; T26-W123 VanDerWaalsContact CG2-CG 3.47Å; D27-W123 PolarHBondContact OD2-NE1 2.82Å; D120-W123 VanDerWaalsContact O-CB 3.26Å; D120-W123 WeakPolarHBondContact O-CB 3.18Å; D120-W123 PolarHBondContact O-N 3.26Å; Q121-W123 PolarHBondContact O-N 2.78Å; W123-P125 VanDerWaalsContact O-CD 3.28Å; W123-P125 WeakPolarHBondContact O-CD 3.36Å; W123-L132 HydrophobicContact CB-CD1 4.12Å; W123-L132 HydrophobicContact CB-CD2 4.39Å; W123-Q161 HydrophobicContact CE3-CG 4.41Å
124V90.5Very high89.1Confident0 Ų046.6 Ų46.60%025%0.253CS..SBendtrans-73.6116.4175.9-170.50000108.3V72 R74 L80 Q121 D122 L132V72-V124 HydrophobicContact CG1-CG2 3.88Å; R74-V124 HydrophobicContact CB-CG1 3.94Å; R74-V124 PolarHBondContact NE-O 3.06Å; R74-V124 PolarHBondContact NH2-O 3.35Å; L80-V124 HydrophobicContact CD1-CG2 4.2Å; L80-V124 HydrophobicContact CD2-CB 4.04Å; L80-V124 HydrophobicContact CD2-CG1 3.9Å; L80-V124 HydrophobicContact CD2-CG2 4.16Å; Q121-V124 WeakPolarHBondContact O-CB 3.26Å; Q121-V124 PolarHBondContact O-N 3.31Å; Q121-V124 VanDerWaalsContact O-N 3.07Å; D122-V124 VanDerWaalsContact C-N 3.3Å; V124-L132 HydrophobicContact CG2-CB 4.15Å; V124-L132 HydrophobicContact CG2-CD2 4.17Å
125P84Confident89.1Confident32 Ų3247 Ų4721%0.20825%0.252CS..  trans-52.9143.9-172.7-29.437.6000113.5R74 W123 A130R74-P125 PolarHBondContact NE-O 3.31Å; W123-P125 VanDerWaalsContact O-CD 3.28Å; W123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-A130 HydrophobicContact CB-CB 3.69Å; P125-A130 HydrophobicContact CG-CB 3.66Å
126H80.6Confident89.1Confident130 Ų13041.9 Ų41.960%0.60223%0.233SC*.SBendtrans-88.2-18.2179.2-69.8-73.3000113.8R74R74-H126 PolarHBondContact NE-ND1 3.01Å
127L68.4Low89.1Confident153 Ų15342.5 Ų42.580%0.80124%0.237SC*.SBendtrans-127.7141.2-172.3-64.5174.4000110.9
128G67Low89.2Confident60 Ų6042.5 Ų42.562%0.61924%0.237SC*.THydrogen-bonded Turntrans74.2-169.9172.100000114.6A130G128-A130 PolarHBondContact O-N 3.04Å
129P65.9Low89.2Confident88 Ų8839.6 Ų39.657%0.57122%0.223SC*.THydrogen-bonded Turntrans-79.110.6-177.635.2-37.5000113.2
130A74.8Confident89.3Confident34 Ų3438 Ų3828%0.28122%0.215SC..  trans-71.5147.9-174.500000110.6P125 G128P125-A130 HydrophobicContact CB-CB 3.69Å; P125-A130 HydrophobicContact CG-CB 3.66Å; G128-A130 PolarHBondContact O-N 3.04Å
131C85.6Confident89.3Confident5 Ų538.3 Ų38.33%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-140.7164.4-172.759.30000109.9K71 V72 Y73 A162K71-C131 HydrophobicContact CB-CB 4.47Å; K71-C131 HydrophobicContact CD-CB 4.49Å; K71-C131 WeakPolarHBondContact CD-SG 3.26Å; K71-C131 WeakPolarHBondContact CE-SG 3.47Å; V72-C131 WeakPolarHBondContact O-CB 3.16Å; Y73-C131 HydrophobicContact CD1-CB 3.79Å; Y73-C131 HydrophobicContact CE1-CB 3.81Å; C131-A162 PolarHBondContact O-N 3.35Å
132L91.9Very high89.5Confident0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-98.7128.6169.3-165.675.8000108.2T26 K71 V72 W123 V124 M159 C160 Q161T26-L132 HydrophobicContact CG2-CD1 3.75Å; T26-L132 HydrophobicContact CG2-CD2 3.99Å; T26-L132 HydrophobicContact CG2-CG 4.42Å; K71-L132 WeakPolarHBondContact CA-O 3.11Å; V72-L132 HydrophobicContact CG1-CB 3.64Å; V72-L132 HydrophobicContact CG1-CD2 4.24Å; V72-L132 HydrophobicContact CG1-CG 4.48Å; V72-L132 PolarHBondContact N-O 2.87Å; V72-L132 PolarHBondContact O-N 2.92Å; V72-L132 VanDerWaalsContact O-N 3.15Å; W123-L132 HydrophobicContact CB-CD1 4.12Å; W123-L132 HydrophobicContact CB-CD2 4.39Å; V124-L132 HydrophobicContact CG2-CB 4.15Å; V124-L132 HydrophobicContact CG2-CD2 4.17Å; L132-M159 HydrophobicContact CD1-CB 4.48Å; L132-M159 HydrophobicContact CD2-CB 3.72Å; L132-M159 HydrophobicContact CD2-CE 3.92Å; L132-M159 HydrophobicContact CD2-CG 4.22Å; L132-M159 HydrophobicContact CD2-SD 3.64Å; L132-M159 HydrophobicContact CG-CB 4Å; L132-C160 VanDerWaalsContact CD1-C 3.47Å; L132-C160 WeakPolarHBondContact CD1-O 3.28Å; L132-Q161 HydrophobicContact CD1-CG 4.49Å
133Y95.4Very high89.7Confident13 Ų1332.8 Ų32.85%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-91.3136.1176-175.2-85.1000109.6F21 G69 K71 R135 M159 C160 T301F21-Y133 HydrophobicContact CE2-CD1 4.23Å; F21-Y133 AromaticContact CE2-CD2 3.66Å; F21-Y133 HydrophobicContact CE2-CD2 3.66Å; F21-Y133 HydrophobicContact CE2-CE2 4.09Å; F21-Y133 AromaticContact CE2-CG 3.7Å; F21-Y133 HydrophobicContact CE2-CG 3.7Å; F21-Y133 HydrophobicContact CZ-CD1 4.07Å; F21-Y133 AromaticContact CZ-CD2 3.92Å; F21-Y133 HydrophobicContact CZ-CD2 3.92Å; F21-Y133 HydrophobicContact CZ-CE1 4.1Å; F21-Y133 AromaticContact CZ-CE2 3.91Å; F21-Y133 HydrophobicContact CZ-CE2 3.91Å; F21-Y133 AromaticContact CZ-CG 3.97Å; F21-Y133 HydrophobicContact CZ-CG 3.97Å; F21-Y133 AromaticContact CZ-CZ 3.98Å; G69-Y133 WeakPolarHBondContact CA-OH 3.31Å; K71-Y133 HydrophobicContact CG-CD2 3.95Å; Y133-R135 HydrophobicContact CD1-CB 4.46Å; Y133-R135 HydrophobicContact CE1-CB 4.14Å; Y133-R135 PolarHBondContact OH-NH2 2.94Å; Y133-M159 CarbonylContact O-C 3.55Å; Y133-M159 VanDerWaalsContact O-CA 3.27Å; Y133-M159 WeakPolarHBondContact O-CA 3.33Å; Y133-C160 PolarHBondContact N-O 2.96Å; Y133-C160 PolarHBondContact O-N 3.03Å; Y133-T301 HydrophobicContact CD2-CG2 4.39Å; Y133-T301 HydrophobicContact CE2-CG2 4Å
134I98.1Very high89.9Confident0 Ų034.4 Ų34.40%021%0.205CC..EExtended strand (participates in β ladder)trans-113128.7-176.5-55.6155.5000107.1L70 V72 L82 I113 I117 P136 V157 M159L70-I134 HydrophobicContact CD1-CD1 4.48Å; L70-I134 HydrophobicContact CD2-CB 3.72Å; L70-I134 HydrophobicContact CD2-CG2 3.79Å; L70-I134 HydrophobicContact CG-CB 3.95Å; L70-I134 HydrophobicContact CG-CD1 4.05Å; L70-I134 HydrophobicContact CG-CG2 4.36Å; L70-I134 PolarHBondContact N-O 2.8Å; L70-I134 PolarHBondContact O-N 2.97Å; V72-I134 HydrophobicContact CB-CD1 4.13Å; V72-I134 HydrophobicContact CG1-CD1 4.12Å; L82-I134 HydrophobicContact CD2-CD1 3.44Å; L82-I134 VanDerWaalsContact CD2-CD1 3.44Å; I113-I134 HydrophobicContact CG2-CD1 4.46Å; I113-I134 HydrophobicContact CG2-CG2 4.05Å; I117-I134 HydrophobicContact CD1-CD1 3.63Å; I117-I134 HydrophobicContact CG1-CD1 4.18Å; I134-P136 HydrophobicContact CG2-CG 4.39Å; I134-P136 WeakPolarHBondContact O-CD 3.48Å; I134-V157 HydrophobicContact CG2-CG1 3.56Å; I134-M159 HydrophobicContact CB-CG 4.48Å; I134-M159 HydrophobicContact CG1-CG 4.08Å; I134-M159 HydrophobicContact CG1-SD 4.1Å; I134-M159 HydrophobicContact CG2-CG 4.36Å
135R98.6Very high90.3Very high67 Ų6739.4 Ų39.425%0.25323%0.231SC..EExtended strand (participates in β ladder)trans-12285.5-177.1177.164.259.267.49.1109.7E68 Y133 V157 I158E68-R135 VanDerWaalsContact O-CD 3.32Å; E68-R135 WeakPolarHBondContact O-CD 3.46Å; E68-R135 PolarHBondContact O-NE 3.21Å; Y133-R135 HydrophobicContact CD1-CB 4.46Å; Y133-R135 HydrophobicContact CE1-CB 4.14Å; Y133-R135 PolarHBondContact OH-NH2 2.94Å; R135-V157 WeakPolarHBondContact O-CA 3.07Å; R135-I158 HydrophobicContact CB-CG1 3.79Å; R135-I158 HydrophobicContact CG-CD1 4.37Å; R135-I158 HydrophobicContact CG-CG1 4.07Å; R135-I158 PolarHBondContact N-O 3.49Å; R135-I158 PolarHBondContact O-N 2.87Å
136P98.9Very high91Very high0 Ų039.4 Ų39.40%024%0.237CC..EExtended strand (participates in β ladder)trans-67.1139162.8-15.131.2000109.7F67 E68 L70 M92 I113 I134 Y156 V157F67-P136 CarbonylContact C-O 3.43Å; F67-P136 VanDerWaalsContact CA-O 3.23Å; F67-P136 WeakPolarHBondContact CA-O 3.22Å; F67-P136 WeakPolarHBondContact CB-O 3.5Å; E68-P136 HydrophobicContact CB-CB 4.13Å; E68-P136 HydrophobicContact CB-CG 3.91Å; E68-P136 PolarHBondContact N-O 3.01Å; L70-P136 HydrophobicContact CD2-CG 3.82Å; M92-P136 HydrophobicContact CE-CB 3.97Å; M92-P136 HydrophobicContact SD-CB 3.8Å; I113-P136 HydrophobicContact CD1-CG 4Å; I134-P136 HydrophobicContact CG2-CG 4.39Å; I134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-Y156 CarbonylContact C-O 3.54Å; P136-Y156 WeakPolarHBondContact CA-O 3.42Å; P136-V157 HydrophobicContact CB-CG2 4.07Å; P136-V157 HydrophobicContact CG-CG1 4.4Å; P136-V157 HydrophobicContact CG-CG2 4.43Å
137T98.9Very high91.8Very high12 Ų1239 Ų397%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-141.1139.2178.8-49.90000108.8L66 F67 I139 L155 Y156L66-T137 WeakPolarHBondContact O-CA 3.5Å; L66-T137 WeakPolarHBondContact O-CG2 3.31Å; F67-T137 HydrophobicContact CB-CG2 4.41Å; T137-I139 HydrophobicContact CG2-CG2 3.9Å; T137-L155 CarbonylContact O-C 3.59Å; T137-L155 WeakPolarHBondContact O-CA 3.29Å; T137-Y156 VanDerWaalsContact CB-CE1 3.47Å; T137-Y156 VanDerWaalsContact CB-CZ 3.4Å; T137-Y156 HydrophobicContact CG2-CD1 4.43Å; T137-Y156 HydrophobicContact CG2-CE1 3.57Å; T137-Y156 HydrophobicContact CG2-CE2 4.48Å; T137-Y156 WeakPolarHBondContact CG2-OH 3.28Å; T137-Y156 PolarHBondContact N-O 3.37Å; T137-Y156 PolarHBondContact O-N 3.45Å
138L98.9Very high93.2Very high0 Ų036.8 Ų36.80%023%0.227CC..EExtended strand (participates in β ladder)trans-129122.8174.117758.8000109W40 E65 L66 M92 A96 L101 F104 A153 L154 L155W40-L138 HydrophobicContact CH2-CD1 3.91Å; E65-L138 WeakPolarHBondContact CA-O 3.23Å; L66-L138 HydrophobicContact CD1-CB 3.88Å; L66-L138 HydrophobicContact CD2-CB 4.46Å; L66-L138 HydrophobicContact CD2-CD2 4.44Å; L66-L138 HydrophobicContact CG-CB 4Å; L66-L138 PolarHBondContact N-O 3.17Å; L66-L138 PolarHBondContact O-N 3.16Å; M92-L138 HydrophobicContact CE-CB 3.96Å; A96-L138 HydrophobicContact CB-CD2 4Å; L101-L138 HydrophobicContact CB-CD2 3.88Å; L101-L138 HydrophobicContact CB-CG 4.29Å; L101-L138 HydrophobicContact CD1-CD2 4.29Å; L101-L138 HydrophobicContact CD1-CG 3.94Å; L101-L138 HydrophobicContact CD2-CG 4.3Å; L101-L138 HydrophobicContact CG-CG 4.4Å; F104-L138 HydrophobicContact CD1-CD2 4.38Å; F104-L138 HydrophobicContact CE1-CD2 4.13Å; L138-A153 HydrophobicContact CD1-CB 4.2Å; L138-L154 WeakPolarHBondContact CA-O 3.49Å; L138-L155 HydrophobicContact CD1-CB 3.94Å
139I98.9Very high94.7Very high7 Ų740.3 Ų40.34%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-125.5144.9-176.165171000111.4L53 A59 V64 E65 T137 T141 A153 L154 Y156L53-I139 HydrophobicContact CD1-CD1 4.24Å; L53-I139 HydrophobicContact CD2-CD1 4.21Å; A59-I139 HydrophobicContact CB-CB 3.86Å; A59-I139 HydrophobicContact CB-CG2 4.33Å; V64-I139 CarbonylContact O-C 3.51Å; V64-I139 WeakPolarHBondContact O-CA 3.42Å; E65-I139 HydrophobicContact CB-CB 4.42Å; E65-I139 HydrophobicContact CB-CG2 3.74Å; T137-I139 HydrophobicContact CG2-CG2 3.9Å; I139-T141 HydrophobicContact CD1-CG2 4.03Å; I139-T141 HydrophobicContact CG1-CG2 3.92Å; I139-A153 CarbonylContact O-C 3.6Å; I139-A153 WeakPolarHBondContact O-CA 3.4Å; I139-A153 WeakPolarHBondContact O-CB 2.91Å; I139-L154 HydrophobicContact CD1-CB 4.47Å; I139-L154 HydrophobicContact CD1-CD2 4.41Å; I139-L154 HydrophobicContact CG1-CB 3.97Å; I139-L154 PolarHBondContact N-O 3.08Å; I139-L154 PolarHBondContact O-N 3.45Å; I139-Y156 HydrophobicContact CD1-CE1 4.47Å; I139-Y156 HydrophobicContact CG2-CE1 4.37Å
140G98.9Very high96.2Very high0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-79.9124.5168.800000110.4C57 S58 A59 V64C57-G140 PolarHBondContact SG-O 2.96Å; S58-G140 PolarHBondContact OG-O 3.04Å; A59-G140 WeakPolarHBondContact CB-O 3.42Å; A59-G140 PolarHBondContact N-O 3.21Å; A59-G140 VanDerWaalsContact N-O 3.08Å; V64-G140 PolarHBondContact O-N 3.38Å
141T98.8Very high97.4Very high12 Ų1238.3 Ų38.37%0.07421%0.205CC..  trans-11024.4-175.457.60000113L53 I139 P143 R152 A153 L154L53-T141 HydrophobicContact CD2-CG2 4.14Å; I139-T141 HydrophobicContact CD1-CG2 4.03Å; I139-T141 HydrophobicContact CG1-CG2 3.92Å; T141-P143 WeakPolarHBondContact O-CD 3.2Å; T141-R152 PolarHBondContact N-O 2.95Å; T141-R152 VanDerWaalsContact OG1-C 3.26Å; T141-R152 WeakPolarHBondContact OG1-CB 3.18Å; T141-R152 PolarHBondContact OG1-O 3.43Å; T141-A153 WeakPolarHBondContact OG1-CA 3.48Å; T141-A153 PolarHBondContact OG1-N 3.11Å; T141-L154 HydrophobicContact CG2-CB 3.77Å
142E98.4Very high98Very high19 Ų1943.6 Ų43.69%0.08923%0.225CC..  trans-59.4123.7177.3-177.472.7-17000110.3C57 S58 S144 K148 P150 N151C57-E142 WeakPolarHBondContact CA-O 3.39Å; S58-E142 PolarHBondContact N-O 3.41Å; S58-E142 VanDerWaalsContact N-O 3.15Å; S58-E142 PolarHBondContact OG-N 3.48Å; E142-S144 PolarHBondContact O-N 2.86Å; E142-K148 WeakPolarHBondContact OE1-CE 3.5Å; E142-K148 IonicContact OE1-NZ 2.92Å; E142-K148 PolarHBondContact OE1-NZ 3.36Å; E142-P150 HydrophobicContact CB-CB 4.04Å; E142-N151 WeakPolarHBondContact OE2-CB 3.3Å; E142-N151 PolarHBondContact OE2-N 3.41Å
143P98.3Very high98.3Very high52 Ų5243.6 Ų43.634%0.33823%0.225SC..BIsolated β-bridgetrans-85.455.618035.7-36.3000110.9H54 T141H54-P143 HydrophobicContact CB-CB 3.95Å; T141-P143 WeakPolarHBondContact O-CD 3.2Å
144S98Very high98.5Very high39 Ų3943.3 Ų43.327%0.27322%0.224SC..SBendtrans-150143.1-174.8-172.20000111.4A56 E142 G146A56-S144 PolarHBondContact O-N 3.33Å; E142-S144 PolarHBondContact O-N 2.86Å; S144-G146 PolarHBondContact O-N 3.23Å; S144-G146 PolarHBondContact OG-N 3.4Å
145L98.5Very high98.5Very high104 Ų10443.5 Ų43.555%0.54523%0.225SC..SBendtrans-84.96.7172-56.8178.6000112.7A56 Y62A56-L145 HydrophobicContact CB-CD2 3.92Å; A56-L145 HydrophobicContact CB-CG 4.27Å; Y62-L145 WeakPolarHBondContact OH-CA 3.35Å; Y62-L145 PolarHBondContact OH-O 3.17Å
146G98Very high98.6Very high32 Ų3242.3 Ų42.333%0.3322%0.22SC..SBendtrans-73.2128.1171.100000110.4S144 K148S144-G146 PolarHBondContact O-N 3.23Å; S144-G146 PolarHBondContact OG-N 3.4Å; G146-K148 PolarHBondContact O-N 3.07Å; G146-K148 VanDerWaalsContact O-N 3.09Å
147V98.4Very high98.6Very high121 Ų12142.3 Ų42.373%0.73322%0.22SC*.  trans-77.695.8172.3-174.70000108.8Y62Y62-V147 HydrophobicContact CD1-CG2 4.04Å; Y62-V147 HydrophobicContact CD2-CG2 4.22Å; Y62-V147 HydrophobicContact CE1-CG2 3.77Å; Y62-V147 HydrophobicContact CE2-CG2 3.95Å; Y62-V147 HydrophobicContact CG-CG2 4.28Å
148K97.6Very high98.6Very high107 Ų10742.9 Ų42.947%0.46522%0.223SC..SBendtrans-152.2167.8-177.162.6-179.7-178.5171.20110.3E142 G146E142-K148 WeakPolarHBondContact OE1-CE 3.5Å; E142-K148 IonicContact OE1-NZ 2.92Å; E142-K148 PolarHBondContact OE1-NZ 3.36Å; G146-K148 PolarHBondContact O-N 3.07Å; G146-K148 VanDerWaalsContact O-N 3.09Å
149K98.2Very high98.5Very high134 Ų13442.9 Ų42.958%0.58322%0.223SC*.  trans-53.5128.9168.7-179.4177.8179.3179.90109.7C100C100-K149 HydrophobicContact CB-CG 4.19Å
150P98.1Very high98.2Very high3 Ų342.7 Ų42.72%0.01922%0.222CC..  trans-71.1140.2179.930.8-36.8000111V64 L101 E142V64-P150 HydrophobicContact CG1-CG 4.02Å; L101-P150 HydrophobicContact CD2-CG 4.04Å; E142-P150 HydrophobicContact CB-CB 4.04Å
151N98.6Very high97.7Very high78 Ų7843.7 Ų43.742%0.41723%0.227SC..SBendtrans-95.72.3171.6-71.7-34.2000112.4W34 N35 A36 E142W34-N151 VanDerWaalsContact CZ3-C 3.43Å; W34-N151 WeakPolarHBondContact CZ3-O 3.46Å; N35-N151 CarbonylContact C-O 3.46Å; N35-N151 VanDerWaalsContact CA-O 3.27Å; N35-N151 WeakPolarHBondContact CA-O 3.29Å; A36-N151 HydrophobicContact CB-CB 3.87Å; A36-N151 PolarHBondContact N-O 3.34Å; E142-N151 WeakPolarHBondContact OE2-CB 3.3Å; E142-N151 PolarHBondContact OE2-N 3.41Å
152R98.6Very high96.7Very high116 Ų11643.4 Ų43.444%0.43823%0.226SC..EExtended strand (participates in β ladder)trans-139.3140.2175.9-62.817963.4-174.7-1.4109.7W34 N35 T141W34-R152 WeakPolarHBondContact O-CA 3.21Å; N35-R152 HydrophobicContact CB-CG 4.33Å; T141-R152 PolarHBondContact N-O 2.95Å; T141-R152 VanDerWaalsContact OG1-C 3.26Å; T141-R152 WeakPolarHBondContact OG1-CB 3.18Å; T141-R152 PolarHBondContact OG1-O 3.43Å
153A98.9Very high95.3Very high0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-147.6158.8177.300000110.5W34 L101 P102 L138 I139 T141W34-A153 HydrophobicContact CB-CB 4.32Å; W34-A153 HydrophobicContact CE3-CB 4.04Å; W34-A153 PolarHBondContact N-O 3.21Å; W34-A153 PolarHBondContact O-N 3.19Å; L101-A153 HydrophobicContact CD2-CB 3.89Å; P102-A153 HydrophobicContact CG-CB 3.85Å; L138-A153 HydrophobicContact CD1-CB 4.2Å; I139-A153 CarbonylContact O-C 3.6Å; I139-A153 WeakPolarHBondContact O-CA 3.4Å; I139-A153 WeakPolarHBondContact O-CB 2.91Å; T141-A153 WeakPolarHBondContact OG1-CA 3.48Å; T141-A153 PolarHBondContact OG1-N 3.11Å
154L98.9Very high93.7Very high6 Ų645.1 Ų45.13%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-128.7120.8174.8171.864.5000108.8E33 L51 L138 I139 T141 Y156E33-L154 HydrophobicContact CG-CD1 4.39Å; L51-L154 HydrophobicContact CD1-CD2 4.14Å; L51-L154 HydrophobicContact CD2-CD2 3.94Å; L138-L154 WeakPolarHBondContact CA-O 3.49Å; I139-L154 HydrophobicContact CD1-CB 4.47Å; I139-L154 HydrophobicContact CD1-CD2 4.41Å; I139-L154 HydrophobicContact CG1-CB 3.97Å; I139-L154 PolarHBondContact N-O 3.08Å; I139-L154 PolarHBondContact O-N 3.45Å; T141-L154 HydrophobicContact CG2-CB 3.77Å; L154-Y156 HydrophobicContact CD2-CD1 4.34Å; L154-Y156 HydrophobicContact CG-CD1 4.31Å
155L98.9Very high92.2Very high4 Ų447 Ų472%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-92.3132.4163.8-168.7147.6000108.5T31 V32 W40 M92 F104 L109 T137 L138 V157T31-L155 CarbonylContact C-O 3.58Å; T31-L155 WeakPolarHBondContact CA-O 3.36Å; V32-L155 HydrophobicContact CB-CB 4.26Å; V32-L155 HydrophobicContact CG2-CD2 4.2Å; V32-L155 PolarHBondContact N-O 3.19Å; V32-L155 PolarHBondContact O-N 2.87Å; W40-L155 HydrophobicContact CH2-CB 3.92Å; W40-L155 HydrophobicContact CH2-CD1 4.22Å; W40-L155 HydrophobicContact CZ3-CB 3.77Å; M92-L155 HydrophobicContact CE-CD1 3.95Å; M92-L155 HydrophobicContact CE-CG 4.33Å; F104-L155 HydrophobicContact CD1-CD1 4.24Å; F104-L155 HydrophobicContact CE1-CD1 4.4Å; L109-L155 HydrophobicContact CD1-CD1 4.1Å; L109-L155 HydrophobicContact CD1-CD2 3.59Å; L109-L155 HydrophobicContact CD2-CD1 3.97Å; T137-L155 CarbonylContact O-C 3.59Å; T137-L155 WeakPolarHBondContact O-CA 3.29Å; L138-L155 HydrophobicContact CD1-CB 3.94Å; L155-V157 HydrophobicContact CD2-CG2 4.27Å
156Y98.9Very high90.5Very high42 Ų4244.5 Ų44.517%0.16523%0.232CC..EExtended strand (participates in β ladder)trans-141.1157.1170.969.6-87.8000112.1M29 L30 L51 P136 T137 I139 L154 I158M29-Y156 HydrophobicContact CE-CD2 4Å; M29-Y156 HydrophobicContact CE-CG 4.3Å; L30-Y156 CarbonylContact O-C 3.54Å; L30-Y156 WeakPolarHBondContact O-CA 3.1Å; L30-Y156 VanDerWaalsContact O-CB 3.26Å; L30-Y156 WeakPolarHBondContact O-CB 3.47Å; L51-Y156 HydrophobicContact CD1-CD1 4.17Å; L51-Y156 HydrophobicContact CD1-CE1 3.87Å; P136-Y156 CarbonylContact C-O 3.54Å; P136-Y156 WeakPolarHBondContact CA-O 3.42Å; T137-Y156 VanDerWaalsContact CB-CE1 3.47Å; T137-Y156 VanDerWaalsContact CB-CZ 3.4Å; T137-Y156 HydrophobicContact CG2-CD1 4.43Å; T137-Y156 HydrophobicContact CG2-CE1 3.57Å; T137-Y156 HydrophobicContact CG2-CE2 4.48Å; T137-Y156 WeakPolarHBondContact CG2-OH 3.28Å; T137-Y156 PolarHBondContact N-O 3.37Å; T137-Y156 PolarHBondContact O-N 3.45Å; I139-Y156 HydrophobicContact CD1-CE1 4.47Å; I139-Y156 HydrophobicContact CG2-CE1 4.37Å; L154-Y156 HydrophobicContact CD2-CD1 4.34Å; L154-Y156 HydrophobicContact CG-CD1 4.31Å; Y156-I158 HydrophobicContact CD2-CG2 4.09Å; Y156-I158 HydrophobicContact CE2-CD1 4.47Å; Y156-I158 HydrophobicContact CE2-CG2 4.32Å
157V98.9Very high88.6Confident0 Ų049.3 Ų49.30%025%0.25CS..EExtended strand (participates in β ladder)trans-131.5126.2175.2-172.90000108.8M29 L30 I113 L116 I134 R135 P136 L155M29-V157 WeakPolarHBondContact CA-O 3.4Å; M29-V157 WeakPolarHBondContact CB-O 3.38Å; L30-V157 HydrophobicContact CB-CB 3.92Å; L30-V157 HydrophobicContact CB-CG2 4.16Å; L30-V157 HydrophobicContact CD2-CB 4.41Å; L30-V157 HydrophobicContact CD2-CG2 3.78Å; L30-V157 HydrophobicContact CG-CG2 4.46Å; L30-V157 PolarHBondContact N-O 2.62Å; L30-V157 PolarHBondContact O-N 3.37Å; I113-V157 HydrophobicContact CD1-CG2 4.36Å; I113-V157 HydrophobicContact CG1-CG1 4.33Å; I113-V157 HydrophobicContact CG1-CG2 3.96Å; L116-V157 HydrophobicContact CD2-CB 4.11Å; L116-V157 HydrophobicContact CD2-CG1 4.03Å; I134-V157 HydrophobicContact CG2-CG1 3.56Å; R135-V157 WeakPolarHBondContact O-CA 3.07Å; P136-V157 HydrophobicContact CB-CG2 4.07Å; P136-V157 HydrophobicContact CG-CG1 4.4Å; P136-V157 HydrophobicContact CG-CG2 4.43Å; L155-V157 HydrophobicContact CD2-CG2 4.27Å
158I98.8Very high87.2Confident25 Ų2548.4 Ų48.413%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-116.1153.9170.561.3-177000109.7F25 M29 F48 R135 Y156F25-I158 HydrophobicContact CD1-CB 4.47Å; F25-I158 HydrophobicContact CD1-CD1 4.09Å; F25-I158 HydrophobicContact CD1-CG1 4.47Å; F25-I158 HydrophobicContact CE1-CD1 3.7Å; F25-I158 HydrophobicContact CE1-CG1 4.42Å; M29-I158 HydrophobicContact CB-CG2 4.02Å; M29-I158 HydrophobicContact CE-CG2 4.01Å; F48-I158 HydrophobicContact CD2-CG2 4.14Å; F48-I158 HydrophobicContact CE2-CB 4.13Å; F48-I158 HydrophobicContact CE2-CG2 3.71Å; R135-I158 HydrophobicContact CB-CG1 3.79Å; R135-I158 HydrophobicContact CG-CD1 4.37Å; R135-I158 HydrophobicContact CG-CG1 4.07Å; R135-I158 PolarHBondContact N-O 3.49Å; R135-I158 PolarHBondContact O-N 2.87Å; Y156-I158 HydrophobicContact CD2-CG2 4.09Å; Y156-I158 HydrophobicContact CE2-CD1 4.47Å; Y156-I158 HydrophobicContact CE2-CG2 4.32Å
159M97.7Very high86.4Confident0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-123.6143.7174.8-59.2-173.7-59.800110.1F25 T26 L116 I117 D120 L132 Y133 I134F25-M159 VanDerWaalsContact CA-O 3.3Å; F25-M159 WeakPolarHBondContact CA-O 3.34Å; T26-M159 HydrophobicContact CG2-CB 3.77Å; T26-M159 HydrophobicContact CG2-CE 4.29Å; T26-M159 PolarHBondContact N-O 2.86Å; L116-M159 HydrophobicContact CD1-CE 4.24Å; L116-M159 HydrophobicContact CD2-CE 4.2Å; L116-M159 HydrophobicContact CD2-CG 4.26Å; L116-M159 HydrophobicContact CD2-SD 4.31Å; L116-M159 HydrophobicContact CG-CE 3.68Å; L116-M159 HydrophobicContact CG-SD 4.2Å; I117-M159 HydrophobicContact CG1-SD 3.68Å; D120-M159 HydrophobicContact CB-CE 3.47Å; D120-M159 VanDerWaalsContact CB-CE 3.47Å; L132-M159 HydrophobicContact CD1-CB 4.48Å; L132-M159 HydrophobicContact CD2-CB 3.72Å; L132-M159 HydrophobicContact CD2-CE 3.92Å; L132-M159 HydrophobicContact CD2-CG 4.22Å; L132-M159 HydrophobicContact CD2-SD 3.64Å; L132-M159 HydrophobicContact CG-CB 4Å; Y133-M159 CarbonylContact O-C 3.55Å; Y133-M159 VanDerWaalsContact O-CA 3.27Å; Y133-M159 WeakPolarHBondContact O-CA 3.33Å; I134-M159 HydrophobicContact CB-CG 4.48Å; I134-M159 HydrophobicContact CG1-CG 4.08Å; I134-M159 HydrophobicContact CG1-SD 4.1Å; I134-M159 HydrophobicContact CG2-CG 4.36Å
160C93.4Very high86.1Confident3 Ų341.1 Ų41.12%0.0221%0.214CC..EExtended strand (participates in β ladder)trans-140.2151.3179.663.10000111.3V24 F25 L132 Y133 A162V24-C160 CarbonylContact O-C 3.38Å; V24-C160 WeakPolarHBondContact O-CA 3.43Å; V24-C160 WeakPolarHBondContact O-CB 3.44Å; F25-C160 HydrophobicContact CD1-CB 3.75Å; F25-C160 HydrophobicContact CE1-CB 3.93Å; F25-C160 HydrophobicContact CG-CB 4.43Å; L132-C160 VanDerWaalsContact CD1-C 3.47Å; L132-C160 WeakPolarHBondContact CD1-O 3.28Å; Y133-C160 PolarHBondContact N-O 2.96Å; Y133-C160 PolarHBondContact O-N 3.03Å; C160-A162 PolarHBondContact O-N 3.32Å
161Q87.9Confident86Confident20 Ų2041.6 Ų41.69%0.09322%0.218CC..EExtended strand (participates in β ladder)trans-61.8137.8169.7-74.6-171.1-1300109.7P16 V19 V24 W123 L132P16-Q161 PolarHBondContact O-NE2 2.76Å; V19-Q161 HydrophobicContact CG2-CB 3.59Å; V19-Q161 HydrophobicContact CG2-CG 4.49Å; V24-Q161 PolarHBondContact O-N 2.89Å; W123-Q161 HydrophobicContact CE3-CG 4.41Å; L132-Q161 HydrophobicContact CD1-CG 4.49Å
162A78Confident85.9Confident6 Ų637.9 Ų37.95%0.0520%0.198CC..EExtended strand (participates in β ladder)trans-118.795.7174.600000109.4F21 C131 C160F21-A162 HydrophobicContact CD2-CB 3.76Å; F21-A162 HydrophobicContact CE2-CB 4.03Å; C131-A162 PolarHBondContact O-N 3.35Å; C160-A162 PolarHBondContact O-N 3.32Å
163G68.1Low85.9Confident26 Ų2632.9 Ų32.927%0.26818%0.179SC..  trans-65.6-174.316400000112.3Y165G163-Y165 PolarHBondContact O-N 3.48Å
164S64.8Low85.9Confident82 Ų8233 Ų3357%0.57318%0.181SC*.  trans-63.8126.4174.846.70000110.5N167S164-N167 WeakPolarHBondContact CB-OD1 3.44Å; S164-N167 PolarHBondContact OG-OD1 3.01Å
165Y66Low85.9Confident77 Ų7734.8 Ų34.830%0.30219%0.19SC..SBendtrans-78.8-37-176.2-163.6-96.5000111.9F21 G163 A302 C303F21-Y165 HydrophobicContact CB-CD2 3.9Å; F21-Y165 HydrophobicContact CB-CE2 4.34Å; F21-Y165 AromaticContact CD1-CD2 3.86Å; F21-Y165 HydrophobicContact CD1-CD2 3.86Å; F21-Y165 AromaticContact CD1-CE2 3.55Å; F21-Y165 HydrophobicContact CD1-CE2 3.55Å; F21-Y165 HydrophobicContact CD2-CD2 4.12Å; F21-Y165 HydrophobicContact CE1-CD2 4.43Å; F21-Y165 AromaticContact CE1-CE2 3.93Å; F21-Y165 HydrophobicContact CE1-CE2 3.93Å; F21-Y165 AromaticContact CG-CD2 3.68Å; F21-Y165 HydrophobicContact CG-CD2 3.68Å; F21-Y165 AromaticContact CG-CE2 3.89Å; F21-Y165 HydrophobicContact CG-CE2 3.89Å; G163-Y165 PolarHBondContact O-N 3.48Å; Y165-A302 HydrophobicContact CD1-CB 4.33Å; Y165-A302 HydrophobicContact CD2-CB 3.74Å; Y165-A302 HydrophobicContact CE1-CB 4.4Å; Y165-A302 HydrophobicContact CE2-CB 3.8Å; Y165-A302 HydrophobicContact CG-CB 4.02Å; Y165-C303 HydrophobicContact CD1-CB 3.85Å; Y165-C303 HydrophobicContact CG-CB 4.26Å
166F62.8Low85.8Confident52 Ų5237.2 Ų37.223%0.22821%0.206CC..  trans-136133.8170.4-59.2-60000108.6L170 Q212 M229 C303 C306F166-L170 HydrophobicContact CB-CD2 4.27Å; F166-L170 HydrophobicContact CD1-CD2 3.67Å; F166-L170 HydrophobicContact CD2-CD1 3.89Å; F166-L170 HydrophobicContact CD2-CD2 3.92Å; F166-L170 HydrophobicContact CD2-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD2 3.86Å; F166-L170 HydrophobicContact CE2-CD1 3.77Å; F166-L170 HydrophobicContact CE2-CD2 4.09Å; F166-L170 HydrophobicContact CG-CD2 3.71Å; F166-L170 HydrophobicContact CG-CG 4.46Å; F166-L170 HydrophobicContact CZ-CD1 4.31Å; F166-L170 HydrophobicContact CZ-CD2 4.06Å; F166-Q212 HydrophobicContact CE1-CG 4.44Å; F166-Q212 HydrophobicContact CZ-CG 3.89Å; F166-M229 HydrophobicContact CE2-CE 4.39Å; F166-M229 HydrophobicContact CE2-SD 4.13Å; F166-C303 HydrophobicContact CD2-CB 3.86Å; F166-C303 HydrophobicContact CE2-CB 4.1Å; F166-C306 HydrophobicContact CD2-CB 4.41Å
167N59.8Low85.7Confident134 Ų13441.8 Ų41.872%0.71723%0.227SC*.SBendtrans-98.4-2.4178.8-69.6-29000112.7S164S164-N167 WeakPolarHBondContact CB-OD1 3.44Å; S164-N167 PolarHBondContact OG-OD1 3.01Å
168T67.4Low85.6Confident102 Ų10243.5 Ų43.563%0.62623%0.234SC*.SBendtrans-143.2165.9-171.659.60000111.1
169E81.8Confident85.6Confident85 Ų8545.7 Ų45.740%0.39725%0.248SC..PPolyproline II helixtrans-51.3143.5162.3-179.9167.2-135.500111.8H307 G309E169-H307 IonicContact OE1-CE1 3.97Å; E169-H307 PolarHBondContact OE1-CE1 3.33Å; E169-H307 IonicContact OE1-ND1 2.81Å; E169-H307 PolarHBondContact OE1-ND1 2.83Å; E169-G309 VanDerWaalsContact CG-CA 3.49Å; E169-G309 WeakPolarHBondContact OE1-CA 3.37Å; E169-G309 PolarHBondContact OE1-N 2.75Å
170L91.3Very high85.6Confident2 Ų246.9 Ų46.91%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-96.3137.8-177.6-65.7178000112.6F166 L172 Q211 M229 C306 H307 I308 G309 S310F166-L170 HydrophobicContact CB-CD2 4.27Å; F166-L170 HydrophobicContact CD1-CD2 3.67Å; F166-L170 HydrophobicContact CD2-CD1 3.89Å; F166-L170 HydrophobicContact CD2-CD2 3.92Å; F166-L170 HydrophobicContact CD2-CG 4.31Å; F166-L170 HydrophobicContact CE1-CD2 3.86Å; F166-L170 HydrophobicContact CE2-CD1 3.77Å; F166-L170 HydrophobicContact CE2-CD2 4.09Å; F166-L170 HydrophobicContact CG-CD2 3.71Å; F166-L170 HydrophobicContact CG-CG 4.46Å; F166-L170 HydrophobicContact CZ-CD1 4.31Å; F166-L170 HydrophobicContact CZ-CD2 4.06Å; L170-L172 HydrophobicContact CB-CD2 4.42Å; L170-Q211 HydrophobicContact CD2-CB 4.02Å; L170-M229 HydrophobicContact CD1-CE 3.69Å; L170-M229 HydrophobicContact CD1-SD 4.46Å; L170-C306 HydrophobicContact CD1-CB 3.79Å; L170-H307 WeakPolarHBondContact CB-O 3.45Å; L170-H307 PolarHBondContact N-O 2.88Å; L170-I308 WeakPolarHBondContact O-CA 3.3Å; L170-G309 PolarHBondContact O-N 2.98Å; L170-S310 PolarHBondContact O-N 2.91Å
171S95.5Very high85.9Confident14 Ų1447.1 Ų47.110%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-102.6130.9161.6590000110.3G209 C210 Q211 Q212 S310S171-G209 PolarHBondContact OG-O 3.25Å; S171-G209 VanDerWaalsContact OG-O 3.11Å; S171-C210 WeakPolarHBondContact OG-CA 3.39Å; S171-Q211 PolarHBondContact O-N 3.49Å; S171-Q211 VanDerWaalsContact OG-CD 3.27Å; S171-Q211 PolarHBondContact OG-NE2 2.97Å; S171-Q211 VanDerWaalsContact OG-NE2 3.08Å; S171-Q211 PolarHBondContact OG-OE1 3.05Å; S171-Q212 PolarHBondContact O-N 2.79Å; S171-S310 CarbonylContact C-O 3.55Å; S171-S310 WeakPolarHBondContact CA-O 3.39Å; S171-S310 WeakPolarHBondContact CB-OG 3.36Å
172L97.9Very high86.4Confident0 Ų053.3 Ų53.30%028%0.277CS..EExtended strand (participates in β ladder)trans-109.7143.2-179.3-51.8-174.3000111.8L170 C210 Q212 L214 I231 I308 S310 I311 V312L170-L172 HydrophobicContact CB-CD2 4.42Å; L172-C210 VanDerWaalsContact C-SG 3.55Å; L172-C210 PolarHBondContact O-SG 3.37Å; L172-Q212 CarbonylContact C-O 3.55Å; L172-Q212 VanDerWaalsContact CA-O 3.29Å; L172-Q212 WeakPolarHBondContact CA-O 3.26Å; L172-Q212 HydrophobicContact CD2-CB 3.49Å; L172-Q212 VanDerWaalsContact CD2-CB 3.49Å; L172-Q212 HydrophobicContact CD2-CG 4.48Å; L172-L214 HydrophobicContact CB-CB 3.94Å; L172-L214 HydrophobicContact CD1-CB 4.03Å; L172-L214 HydrophobicContact CD1-CD1 3.81Å; L172-L214 HydrophobicContact CD1-CG 4.43Å; L172-I231 HydrophobicContact CD1-CD1 4.47Å; L172-I308 HydrophobicContact CD1-CD1 3.63Å; L172-I308 HydrophobicContact CD1-CG1 3.91Å; L172-I308 HydrophobicContact CD1-CG2 3.86Å; L172-I308 HydrophobicContact CG-CG1 4.29Å; L172-I308 HydrophobicContact CG-CG2 3.86Å; L172-S310 PolarHBondContact N-O 2.9Å; L172-I311 HydrophobicContact CB-CG1 4.26Å; L172-I311 CarbonylContact O-C 3.6Å; L172-I311 VanDerWaalsContact O-CA 3.26Å; L172-I311 WeakPolarHBondContact O-CA 3.39Å; L172-V312 PolarHBondContact O-N 2.78Å
173W98.6Very high87.3Confident10 Ų1058.4 Ų58.44%0.03830%0.298CS..EExtended strand (participates in β ladder)trans-103.8123.4171.6-177.960.9000110.6D175 Y178 A201 E204 A205 Y208 C210 Q212 V213 L214W173-D175 HydrophobicContact CD2-CB 4.24Å; W173-D175 HydrophobicContact CE3-CB 4.35Å; W173-D175 HydrophobicContact CH2-CB 3.72Å; W173-D175 HydrophobicContact CZ2-CB 3.51Å; W173-D175 VanDerWaalsContact CZ2-OD2 3.24Å; W173-D175 WeakPolarHBondContact CZ2-OD2 3.37Å; W173-D175 HydrophobicContact CZ3-CB 4.12Å; W173-Y178 HydrophobicContact CH2-CD2 4.12Å; W173-Y178 AromaticContact CH2-CE2 3.69Å; W173-Y178 HydrophobicContact CH2-CE2 3.69Å; W173-Y178 AromaticContact CZ3-CD2 3.99Å; W173-Y178 HydrophobicContact CZ3-CD2 3.99Å; W173-Y178 AromaticContact CZ3-CE2 3.88Å; W173-Y178 HydrophobicContact CZ3-CE2 3.88Å; W173-A201 HydrophobicContact CZ3-CB 4.48Å; W173-E204 HydrophobicContact CH2-CB 3.72Å; W173-E204 HydrophobicContact CZ3-CB 3.71Å; W173-A205 HydrophobicContact CB-CB 3.68Å; W173-A205 HydrophobicContact CD2-CB 4.29Å; W173-A205 HydrophobicContact CE3-CB 3.89Å; W173-A205 HydrophobicContact CG-CB 4.27Å; W173-Y208 AromaticContact CD1-CD2 3.81Å; W173-Y208 AromaticContact CD1-CG 3.78Å; W173-Y208 HydrophobicContact CD2-CD2 4.13Å; W173-Y208 AromaticContact CE2-CD2 3.53Å; W173-Y208 AromaticContact CE2-CE2 3.58Å; W173-Y208 HydrophobicContact CG-CD2 4.27Å; W173-Y208 HydrophobicContact CG-CG 4.5Å; W173-Y208 HydrophobicContact CH2-CE2 4.35Å; W173-Y208 AromaticContact CZ2-CD2 3.88Å; W173-Y208 HydrophobicContact CZ2-CD2 3.88Å; W173-Y208 AromaticContact CZ2-CE2 3.46Å; W173-Y208 HydrophobicContact CZ2-CE2 3.46Å; W173-Y208 VanDerWaalsContact CZ2-CE2 3.46Å; W173-Y208 AromaticContact NE1-CD2 3.34Å; W173-Y208 VanDerWaalsContact NE1-CD2 3.34Å; W173-Y208 AromaticContact NE1-CE2 3.55Å; W173-Y208 AromaticContact NE1-CG 3.62Å; W173-Y208 AromaticContact NE1-CZ 3.97Å; W173-C210 HydrophobicContact CB-CB 3.7Å; W173-Q212 PolarHBondContact N-O 3.27Å; W173-V213 CarbonylContact O-C 3.59Å; W173-V213 WeakPolarHBondContact O-CA 3.49Å; W173-L214 PolarHBondContact O-N 3.5Å
174A98.6Very high88.7Confident3 Ų360.5 Ų60.53%0.02532%0.32CS..EExtended strand (participates in β ladder)trans-114.8101.4-176.100000109.8L214 L216 I311 V312 Y313A174-L214 HydrophobicContact CB-CB 3.93Å; A174-L214 HydrophobicContact CB-CD2 4.01Å; A174-L214 HydrophobicContact CB-CG 4.4Å; A174-L216 HydrophobicContact CB-CD1 4.11Å; A174-L216 HydrophobicContact CB-CG 4.39Å; A174-I311 HydrophobicContact CB-CG2 3.81Å; A174-V312 PolarHBondContact N-O 2.9Å; A174-Y313 HydrophobicContact CB-CD2 3.91Å; A174-Y313 HydrophobicContact CB-CG 4.49Å; A174-Y313 WeakPolarHBondContact O-CD2 3.48Å
175D97.9Very high90.3Very high44 Ų4457.1 Ų57.124%0.23530%0.298CS..  trans-124.5118177-171.6-27.4000110W173 K177 Y178W173-D175 HydrophobicContact CD2-CB 4.24Å; W173-D175 HydrophobicContact CE3-CB 4.35Å; W173-D175 HydrophobicContact CH2-CB 3.72Å; W173-D175 HydrophobicContact CZ2-CB 3.51Å; W173-D175 VanDerWaalsContact CZ2-OD2 3.24Å; W173-D175 WeakPolarHBondContact CZ2-OD2 3.37Å; W173-D175 HydrophobicContact CZ3-CB 4.12Å; D175-K177 PolarHBondContact O-N 3.38Å; D175-K177 VanDerWaalsContact O-N 3.17Å; D175-K177 WeakPolarHBondContact OD1-CB 3.48Å; D175-K177 PolarHBondContact OD1-N 2.75Å; D175-Y178 HydrophobicContact CB-CD2 4.4Å; D175-Y178 PolarHBondContact O-N 2.71Å
176P97.4Very high91.8Very high55 Ų5555.5 Ų55.536%0.35730%0.296SS..THydrogen-bonded Turntrans-67.9-11-178.230.4-37000113.7Y178 L216P176-Y178 PolarHBondContact O-N 3.02Å; P176-L216 HydrophobicContact CB-CD1 4.27Å
177K97Very high93.5Very high137 Ų13753 Ų5360%0.59629%0.286SS*.THydrogen-bonded Turntrans-57.6-30173.1179.4-175.5172.6-161.70112.4D175D175-K177 PolarHBondContact O-N 3.38Å; D175-K177 VanDerWaalsContact O-N 3.17Å; D175-K177 WeakPolarHBondContact OD1-CB 3.48Å; D175-K177 PolarHBondContact OD1-N 2.75Å
178Y97.9Very high95.3Very high37 Ų3749.6 Ų49.615%0.14527%0.267CS..  trans-106.8125.2-177.2-59.5-71.6000111.8W173 D175 P176 F200 A201 E204W173-Y178 HydrophobicContact CH2-CD2 4.12Å; W173-Y178 AromaticContact CH2-CE2 3.69Å; W173-Y178 HydrophobicContact CH2-CE2 3.69Å; W173-Y178 AromaticContact CZ3-CD2 3.99Å; W173-Y178 HydrophobicContact CZ3-CD2 3.99Å; W173-Y178 AromaticContact CZ3-CE2 3.88Å; W173-Y178 HydrophobicContact CZ3-CE2 3.88Å; D175-Y178 HydrophobicContact CB-CD2 4.4Å; D175-Y178 PolarHBondContact O-N 2.71Å; P176-Y178 PolarHBondContact O-N 3.02Å; Y178-F200 HydrophobicContact CE1-CD1 4.1Å; Y178-F200 WeakPolarHBondContact OH-CE1 3.43Å; Y178-A201 HydrophobicContact CD1-CB 4.2Å; Y178-A201 HydrophobicContact CD2-CB 3.93Å; Y178-A201 HydrophobicContact CE2-CB 4.4Å; Y178-A201 HydrophobicContact CG-CB 3.82Å; Y178-E204 WeakPolarHBondContact CE2-OE2 3.45Å; Y178-E204 VanDerWaalsContact OH-CD 3.28Å; Y178-E204 PolarHBondContact OH-OE1 3.46Å; Y178-E204 PolarHBondContact OH-OE2 2.97Å
179T98.1Very high96.8Very high70 Ų7045.2 Ų45.243%0.42924%0.241SC..  trans-111.9120.3174-61.90000109.7A181 Y217T179-A181 WeakPolarHBondContact CG2-O 3.26Å; T179-Y217 HydrophobicContact CG2-CD2 3.95Å; T179-Y217 HydrophobicContact CG2-CE2 4.38Å
180R98.4Very high97.6Very high26 Ų2642.2 Ų42.210%0.09823%0.227CC..SBendtrans-70.3-42.1179-164.9-161.271.582.9-9.4112.7G187 T198 W215 E225 T252R180-G187 PolarHBondContact NH2-O 3.14Å; R180-T198 HydrophobicContact CG-CG2 4.24Å; R180-W215 HydrophobicContact CB-CB 4.11Å; R180-W215 HydrophobicContact CB-CD2 3.6Å; R180-W215 HydrophobicContact CB-CE3 3.77Å; R180-W215 HydrophobicContact CB-CG 3.75Å; R180-W215 HydrophobicContact CB-CZ3 4.41Å; R180-W215 HydrophobicContact CG-CD2 3.95Å; R180-W215 HydrophobicContact CG-CE3 4.42Å; R180-W215 HydrophobicContact CG-CG 4.14Å; R180-W215 HydrophobicContact CG-CZ2 4.41Å; R180-E225 WeakPolarHBondContact CD-OE2 3.16Å; R180-E225 IonicContact CZ-OE2 2.76Å; R180-E225 IonicContact NE-OE2 3.74Å; R180-E225 PolarHBondContact NE-OE2 2.89Å; R180-E225 IonicContact NH1-OE2 2.75Å; R180-E225 IonicContact NH2-OE2 3.27Å; R180-E225 PolarHBondContact NH2-OE2 3.43Å; R180-E225 VanDerWaalsContact NH2-OE2 3.09Å; R180-T252 PolarHBondContact NH2-O 2.88Å
181A98.3Very high98Very high8 Ų843.3 Ų43.37%0.06623%0.232CC..  trans-154.7159.6-174.500000110.3T179 Y217T179-A181 WeakPolarHBondContact CG2-O 3.26Å; A181-Y217 WeakPolarHBondContact O-CD2 3.33Å
182W98.3Very high98.1Very high150 Ų15043.2 Ų43.257%0.56823%0.233SC*.  trans-139.7158.6-179.75489.5000110.8G184 G185 Y217W182-G184 PolarHBondContact O-N 3.26Å; W182-G185 WeakPolarHBondContact O-CA 3.49Å; W182-G185 PolarHBondContact O-N 3.49Å; W182-Y217 HydrophobicContact CB-CE2 4Å
183K97.3Very high98.1Very high112 Ų11245.6 Ų45.649%0.48726%0.257SS..THydrogen-bonded Turntrans-58133176.9-67.7-174176.5-1760110.7G185 D250 T252 Y278K183-G185 PolarHBondContact O-N 3.02Å; K183-D250 WeakPolarHBondContact CE-OD2 3.27Å; K183-D250 IonicContact NZ-OD2 3.53Å; K183-T252 HydrophobicContact CG-CG2 3.96Å; K183-Y278 PolarHBondContact NZ-OH 2.92Å
184G96.9Very high98.1Very high70 Ų7045.8 Ų45.872%0.72226%0.259SS*.THydrogen-bonded Turntrans81.7-5.9-172.400000115R98 W182R98-G184 PolarHBondContact NH2-O 2.96Å; R98-G184 VanDerWaalsContact NH2-O 3.13Å; W182-G184 PolarHBondContact O-N 3.26Å
185G98.1Very high98.1Very high12 Ų1247.9 Ų47.912%0.12427%0.267CS..SBendtrans-77-150.1174.400000113.6R98 W182 K183R98-G185 PolarHBondContact NH2-O 3.42Å; W182-G185 WeakPolarHBondContact O-CA 3.49Å; W182-G185 PolarHBondContact O-N 3.49Å; K183-G185 PolarHBondContact O-N 3.02Å
186T98.4Very high98.1Very high42 Ų4248.2 Ų48.226%0.25828%0.281SS..SBendtrans-122.212.9-177.147.50000113R98 D188 C189 M191 N194R98-T186 HydrophobicContact CG-CG2 4.19Å; T186-D188 PolarHBondContact O-N 3.1Å; T186-C189 PolarHBondContact O-N 3.34Å; T186-M191 HydrophobicContact CG2-CE 4.45Å; T186-M191 HydrophobicContact CG2-SD 3.97Å; T186-N194 PolarHBondContact O-ND2 2.87Å; T186-N194 PolarHBondContact OG1-OD1 3.4Å
187G98.3Very high98.1Very high1 Ų148.9 Ų48.91%0.0130%0.297CS..THydrogen-bonded Turntrans-64.5-21.4-170.100000115.2R180 C189R180-G187 PolarHBondContact NH2-O 3.14Å; G187-C189 VanDerWaalsContact C-N 3.35Å
188D98.5Very high98.1Very high61 Ų6143.4 Ų43.433%0.32628%0.276SS..THydrogen-bonded Turntrans-85.6-3.7175.263.1-11.1000113.9T186 G251 I253 P255T186-D188 PolarHBondContact O-N 3.1Å; D188-G251 PolarHBondContact N-O 3.24Å; D188-I253 WeakPolarHBondContact CA-O 3.45Å; D188-P255 WeakPolarHBondContact O-CD 3.45Å
189C98.6Very high98.1Very high11 Ų1147.4 Ų47.47%0.07430%0.299CS..SBendtrans-108.6149.8175.3-63.90000111T186 G187 M191 N194T186-C189 PolarHBondContact O-N 3.34Å; G187-C189 VanDerWaalsContact C-N 3.35Å; C189-M191 HydrophobicContact CB-CG 3.97Å; C189-M191 HydrophobicContact CB-SD 3.98Å; C189-M191 PolarHBondContact O-N 3.33Å; C189-M191 VanDerWaalsContact O-N 3.08Å; C189-N194 PolarHBondContact O-ND2 3Å
190K98.6Very high98.2Very high22 Ų2249.8 Ų49.810%0.09630%0.303CS..  trans-90.952.7-178.6-155.1166.7179.860.90112L66 F67 S95 Y195 L254L66-K190 WeakPolarHBondContact CA-O 3.25Å; F67-K190 HydrophobicContact CD2-CD 4.35Å; F67-K190 HydrophobicContact CD2-CG 4.31Å; F67-K190 HydrophobicContact CE1-CG 4.4Å; F67-K190 HydrophobicContact CE2-CD 4.24Å; F67-K190 HydrophobicContact CE2-CG 4.12Å; F67-K190 HydrophobicContact CZ-CG 4.16Å; F67-K190 PolarHBondContact N-O 2.86Å; F67-K190 WeakPolarHBondContact O-CB 3.42Å; F67-K190 VanDerWaalsContact O-CD 3.3Å; F67-K190 WeakPolarHBondContact O-CD 3.3Å; F67-K190 VanDerWaalsContact O-CG 3.22Å; F67-K190 WeakPolarHBondContact O-CG 3.46Å; S95-K190 PolarHBondContact OG-N 3.26Å; K190-Y195 PolarHBondContact NZ-OH 2.89Å; K190-L254 HydrophobicContact CB-CD1 4.16Å; K190-L254 HydrophobicContact CD-CD2 4.31Å; K190-L254 HydrophobicContact CG-CD2 4.37Å
191M98.8Very high98.1Very high25 Ų2548.6 Ų48.612%0.12330%0.299CS..BIsolated β-bridgetrans-89.2143.5-178.1-66.3172.165.500111.5E65 L66 R98 A99 T186 C189 G193 N194 Y195E65-M191 WeakPolarHBondContact O-CA 3.29Å; L66-M191 HydrophobicContact CB-CG 4.38Å; R98-M191 HydrophobicContact CB-SD 4.31Å; R98-M191 HydrophobicContact CG-SD 3.87Å; A99-M191 HydrophobicContact CB-CE 3.95Å; A99-M191 HydrophobicContact CB-SD 4.46Å; T186-M191 HydrophobicContact CG2-CE 4.45Å; T186-M191 HydrophobicContact CG2-SD 3.97Å; C189-M191 HydrophobicContact CB-CG 3.97Å; C189-M191 HydrophobicContact CB-SD 3.98Å; C189-M191 PolarHBondContact O-N 3.33Å; C189-M191 VanDerWaalsContact O-N 3.08Å; M191-G193 VanDerWaalsContact C-N 3.25Å; M191-G193 PolarHBondContact O-N 3.02Å; M191-N194 WeakPolarHBondContact O-CB 3.48Å; M191-N194 PolarHBondContact O-N 3.43Å; M191-N194 VanDerWaalsContact O-N 3.15Å; M191-Y195 WeakPolarHBondContact O-CD2 3.21Å; M191-Y195 VanDerWaalsContact O-CE2 3.3Å; M191-Y195 WeakPolarHBondContact O-CE2 3.47Å
192G98.5Very high98.1Very high12 Ų1250.9 Ų50.912%0.12431%0.308CS..THydrogen-bonded Turntrans-57.8-36.3-177.800000113.5E65 N194 Y195E65-G192 PolarHBondContact O-N 3.32Å; G192-N194 PolarHBondContact O-N 3.1Å; G192-Y195 PolarHBondContact O-N 3.34Å
193G98.3Very high98.1Very high49 Ų4949.9 Ų49.951%0.50531%0.314SS..Hα-helixtrans-57.2-23.717800000115.1M191 Y195M191-G193 VanDerWaalsContact C-N 3.25Å; M191-G193 PolarHBondContact O-N 3.02Å; G193-Y195 PolarHBondContact O-N 2.93Å
194N98.6Very high98.1Very high15 Ų1546.9 Ų46.98%0.0830%0.301CS..Hα-helixtrans-77.2-7177.8-63.2-31.7000113.8T186 C189 M191 G192 T198T186-N194 PolarHBondContact O-ND2 2.87Å; T186-N194 PolarHBondContact OG1-OD1 3.4Å; C189-N194 PolarHBondContact O-ND2 3Å; M191-N194 WeakPolarHBondContact O-CB 3.48Å; M191-N194 PolarHBondContact O-N 3.43Å; M191-N194 VanDerWaalsContact O-N 3.15Å; G192-N194 PolarHBondContact O-N 3.1Å; N194-T198 WeakPolarHBondContact O-CG2 3.48Å
195Y98.4Very high98.2Very high47 Ų4743.6 Ų43.618%0.18427%0.267CS..Hα-helixtrans-113.1-35.1-173.2-61.7-88.2000112.7F67 K190 M191 G192 G193 G197 T198 T228F67-Y195 AromaticContact CE1-CD2 3.55Å; F67-Y195 HydrophobicContact CE1-CD2 3.55Å; F67-Y195 AromaticContact CE1-CE2 3.29Å; F67-Y195 HydrophobicContact CE1-CE2 3.29Å; F67-Y195 HydrophobicContact CE1-CG 4.39Å; F67-Y195 AromaticContact CE1-CZ 3.96Å; F67-Y195 HydrophobicContact CZ-CD1 4.43Å; F67-Y195 AromaticContact CZ-CD2 3.79Å; F67-Y195 HydrophobicContact CZ-CD2 3.79Å; F67-Y195 HydrophobicContact CZ-CE1 4.04Å; F67-Y195 AromaticContact CZ-CE2 3.31Å; F67-Y195 HydrophobicContact CZ-CE2 3.31Å; F67-Y195 HydrophobicContact CZ-CG 4.33Å; F67-Y195 AromaticContact CZ-CZ 3.46Å; F67-Y195 VanDerWaalsContact CZ-CZ 3.46Å; K190-Y195 PolarHBondContact NZ-OH 2.89Å; M191-Y195 WeakPolarHBondContact O-CD2 3.21Å; M191-Y195 VanDerWaalsContact O-CE2 3.3Å; M191-Y195 WeakPolarHBondContact O-CE2 3.47Å; G192-Y195 PolarHBondContact O-N 3.34Å; G193-Y195 PolarHBondContact O-N 2.93Å; Y195-G197 VanDerWaalsContact C-N 3.31Å; Y195-G197 PolarHBondContact O-N 3.06Å; Y195-T198 PolarHBondContact O-N 3.22Å; Y195-T198 PolarHBondContact O-OG1 3.19Å; Y195-T228 HydrophobicContact CD1-CG2 4.09Å; Y195-T228 HydrophobicContact CE1-CG2 3.9Å
196G97.8Very high98.1Very high51 Ų5145.1 Ų45.153%0.52628%0.283SS..Hα-helixtrans-57.8-43-179.300000112.9T198 L199G196-T198 PolarHBondContact O-N 2.89Å; G196-L199 PolarHBondContact O-N 2.84Å
197G96.3Very high98Very high68 Ų6847.6 Ų47.670%0.70130%0.302SS*.THydrogen-bonded Turntrans-68.2-15.8178.300000114.7Y195Y195-G197 VanDerWaalsContact C-N 3.31Å; Y195-G197 PolarHBondContact O-N 3.06Å
198T98.1Very high97.8Very high23 Ų2353.1 Ų53.114%0.14132%0.324CS..THydrogen-bonded Turntrans-82.2-18.5-17872.90000112.9R180 N194 Y195 G196 F200 A201 Q202 W215R180-T198 HydrophobicContact CG-CG2 4.24Å; N194-T198 WeakPolarHBondContact O-CG2 3.48Å; Y195-T198 PolarHBondContact O-N 3.22Å; Y195-T198 PolarHBondContact O-OG1 3.19Å; G196-T198 PolarHBondContact O-N 2.89Å; T198-F200 VanDerWaalsContact C-N 3.29Å; T198-F200 PolarHBondContact O-N 2.92Å; T198-A201 PolarHBondContact O-N 2.69Å; T198-Q202 PolarHBondContact O-N 2.78Å; T198-W215 HydrophobicContact CG2-CH2 3.92Å; T198-W215 HydrophobicContact CG2-CZ2 3.74Å
199L98.1Very high97.7Very high120 Ų12052.6 Ų52.663%0.62833%0.332SS*.Hα-helixtrans-62.6-35-172.1-63.8177.9000112.7G196 Q202 L203G196-L199 PolarHBondContact O-N 2.84Å; L199-Q202 PolarHBondContact O-N 3.23Å; L199-L203 PolarHBondContact O-N 2.75Å
200F98.4Very high97.6Very high120 Ų12052.3 Ų52.353%0.52633%0.331SS..Hα-helixtrans-67.4-47.4179.2-169-92.2000112Y178 T198 Q202 L203 E204Y178-F200 HydrophobicContact CE1-CD1 4.1Å; Y178-F200 WeakPolarHBondContact OH-CE1 3.43Å; T198-F200 VanDerWaalsContact C-N 3.29Å; T198-F200 PolarHBondContact O-N 2.92Å; F200-Q202 VanDerWaalsContact C-N 3.27Å; F200-Q202 PolarHBondContact O-N 3.35Å; F200-L203 WeakPolarHBondContact O-CB 3.47Å; F200-L203 PolarHBondContact O-N 3.17Å; F200-L203 VanDerWaalsContact O-N 3.16Å; F200-E204 HydrophobicContact CD1-CG 4.42Å; F200-E204 VanDerWaalsContact CE1-CD 3.46Å; F200-E204 HydrophobicContact CE1-CG 4.02Å; F200-E204 PolarHBondContact O-N 3.46Å
201A98.3Very high97.4Very high2 Ų254.9 Ų54.92%0.01734%0.343CS..Hα-helixtrans-63.4-35.3175.800000111.7W173 Y178 T198 E204 A205 V213 W215W173-A201 HydrophobicContact CZ3-CB 4.48Å; Y178-A201 HydrophobicContact CD1-CB 4.2Å; Y178-A201 HydrophobicContact CD2-CB 3.93Å; Y178-A201 HydrophobicContact CE2-CB 4.4Å; Y178-A201 HydrophobicContact CG-CB 3.82Å; T198-A201 PolarHBondContact O-N 2.69Å; A201-E204 PolarHBondContact O-N 3.17Å; A201-A205 WeakPolarHBondContact O-CB 3.3Å; A201-A205 PolarHBondContact O-N 3.08Å; A201-V213 HydrophobicContact CB-CG2 4.07Å; A201-W215 HydrophobicContact CB-CH2 3.8Å; A201-W215 HydrophobicContact CB-CZ3 3.97Å
202Q98.1Very high97.3Very high55 Ų5554.8 Ų54.826%0.25734%0.342SS..Hα-helixtrans-65.5-37.9174.3179.460.756.700112.5T198 L199 F200 G206 Q211T198-Q202 PolarHBondContact O-N 2.78Å; L199-Q202 PolarHBondContact O-N 3.23Å; F200-Q202 VanDerWaalsContact C-N 3.27Å; F200-Q202 PolarHBondContact O-N 3.35Å; Q202-G206 PolarHBondContact O-N 2.65Å; Q202-Q211 PolarHBondContact NE2-O 3.08Å
203L97.8Very high97.3Very high129 Ų12954.3 Ų54.368%0.67534%0.337SS*.Hα-helixtrans-63.9-46.4173.8177.767.4000110.9L199 F200 G206 S207L199-L203 PolarHBondContact O-N 2.75Å; F200-L203 WeakPolarHBondContact O-CB 3.47Å; F200-L203 PolarHBondContact O-N 3.17Å; F200-L203 VanDerWaalsContact O-N 3.16Å; L203-G206 PolarHBondContact O-N 3.05Å; L203-S207 PolarHBondContact O-N 2.57Å
204E97.8Very high97.3Very high50 Ų5052 Ų5223%0.23431%0.313CS..Hα-helixtrans-64.4-41.6177.4-77-174.1140.200112.3W173 Y178 F200 A201 G206 S207 Y208W173-E204 HydrophobicContact CH2-CB 3.72Å; W173-E204 HydrophobicContact CZ3-CB 3.71Å; Y178-E204 WeakPolarHBondContact CE2-OE2 3.45Å; Y178-E204 VanDerWaalsContact OH-CD 3.28Å; Y178-E204 PolarHBondContact OH-OE1 3.46Å; Y178-E204 PolarHBondContact OH-OE2 2.97Å; F200-E204 HydrophobicContact CD1-CG 4.42Å; F200-E204 VanDerWaalsContact CE1-CD 3.46Å; F200-E204 HydrophobicContact CE1-CG 4.02Å; F200-E204 PolarHBondContact O-N 3.46Å; A201-E204 PolarHBondContact O-N 3.17Å; E204-G206 PolarHBondContact O-N 3Å; E204-S207 WeakPolarHBondContact O-CA 3.34Å; E204-S207 WeakPolarHBondContact O-CB 3.27Å; E204-S207 PolarHBondContact O-N 2.95Å; E204-S207 PolarHBondContact O-OG 2.95Å; E204-Y208 WeakPolarHBondContact O-CD2 3.33Å; E204-Y208 PolarHBondContact O-N 2.88Å
205A97.6Very high97.3Very high0 Ų051.7 Ų51.70%031%0.311CS..Hα-helixtrans-52-40.6173.700000111.9W173 A201 S207 Y208 G209 C210 V213W173-A205 HydrophobicContact CB-CB 3.68Å; W173-A205 HydrophobicContact CD2-CB 4.29Å; W173-A205 HydrophobicContact CE3-CB 3.89Å; W173-A205 HydrophobicContact CG-CB 4.27Å; A201-A205 WeakPolarHBondContact O-CB 3.3Å; A201-A205 PolarHBondContact O-N 3.08Å; A205-S207 VanDerWaalsContact C-N 3.28Å; A205-S207 PolarHBondContact O-N 3.32Å; A205-Y208 PolarHBondContact O-N 2.7Å; A205-Y208 VanDerWaalsContact O-N 3.07Å; A205-G209 PolarHBondContact O-N 2.75Å; A205-C210 CarbonylContact C-O 3.44Å; A205-C210 HydrophobicContact CB-CB 4.2Å; A205-C210 WeakPolarHBondContact O-CB 3.22Å; A205-C210 PolarHBondContact O-N 2.93Å; A205-V213 HydrophobicContact CB-CG2 4Å
206G96.4Very high97.3Very high45 Ų4549.6 Ų49.646%0.46430%0.303SS..Hα-helixtrans-60.7-34.4175.100000113.6Q202 L203 E204 Y208 G209Q202-G206 PolarHBondContact O-N 2.65Å; L203-G206 PolarHBondContact O-N 3.05Å; E204-G206 PolarHBondContact O-N 3Å; G206-Y208 PolarHBondContact O-N 3.47Å; G206-G209 PolarHBondContact O-N 3.05Å
207S95.6Very high97.4Very high94 Ų9449.7 Ų49.766%0.65729%0.288SS*.Hα-helixtrans-68.4-22.3175.677.60000113.6L203 E204 A205 G209L203-S207 PolarHBondContact O-N 2.57Å; E204-S207 WeakPolarHBondContact O-CA 3.34Å; E204-S207 WeakPolarHBondContact O-CB 3.27Å; E204-S207 PolarHBondContact O-N 2.95Å; E204-S207 PolarHBondContact O-OG 2.95Å; A205-S207 VanDerWaalsContact C-N 3.28Å; A205-S207 PolarHBondContact O-N 3.32Å; S207-G209 VanDerWaalsContact C-N 3.33Å
208Y95.6Very high97.4Very high117 Ų11748.3 Ų48.346%0.45927%0.273SS..THydrogen-bonded Turntrans-90.56.9171.1-69.4-86.5000113.1W173 E204 A205 G206 C210 V312W173-Y208 AromaticContact CD1-CD2 3.81Å; W173-Y208 AromaticContact CD1-CG 3.78Å; W173-Y208 HydrophobicContact CD2-CD2 4.13Å; W173-Y208 AromaticContact CE2-CD2 3.53Å; W173-Y208 AromaticContact CE2-CE2 3.58Å; W173-Y208 HydrophobicContact CG-CD2 4.27Å; W173-Y208 HydrophobicContact CG-CG 4.5Å; W173-Y208 HydrophobicContact CH2-CE2 4.35Å; W173-Y208 AromaticContact CZ2-CD2 3.88Å; W173-Y208 HydrophobicContact CZ2-CD2 3.88Å; W173-Y208 AromaticContact CZ2-CE2 3.46Å; W173-Y208 HydrophobicContact CZ2-CE2 3.46Å; W173-Y208 VanDerWaalsContact CZ2-CE2 3.46Å; W173-Y208 AromaticContact NE1-CD2 3.34Å; W173-Y208 VanDerWaalsContact NE1-CD2 3.34Å; W173-Y208 AromaticContact NE1-CE2 3.55Å; W173-Y208 AromaticContact NE1-CG 3.62Å; W173-Y208 AromaticContact NE1-CZ 3.97Å; E204-Y208 WeakPolarHBondContact O-CD2 3.33Å; E204-Y208 PolarHBondContact O-N 2.88Å; A205-Y208 PolarHBondContact O-N 2.7Å; A205-Y208 VanDerWaalsContact O-N 3.07Å; G206-Y208 PolarHBondContact O-N 3.47Å; Y208-C210 PolarHBondContact O-N 3.15Å; Y208-V312 HydrophobicContact CD1-CG1 4.34Å
209G95.2Very high97.4Very high49 Ų4956.6 Ų56.651%0.50531%0.31SS..THydrogen-bonded Turntrans72.416.7-176.500000113.9S171 A205 G206 S207 Q211S171-G209 PolarHBondContact OG-O 3.25Å; S171-G209 VanDerWaalsContact OG-O 3.11Å; A205-G209 PolarHBondContact O-N 2.75Å; G206-G209 PolarHBondContact O-N 3.05Å; S207-G209 VanDerWaalsContact C-N 3.33Å; G209-Q211 PolarHBondContact O-NE2 3.01Å
210C96.4Very high97.4Very high6 Ų654.7 Ų54.74%0.04130%0.301CS..  trans-93.2140.8178-63.40000111.8S171 L172 W173 A205 Y208 V312S171-C210 WeakPolarHBondContact OG-CA 3.39Å; L172-C210 VanDerWaalsContact C-SG 3.55Å; L172-C210 PolarHBondContact O-SG 3.37Å; W173-C210 HydrophobicContact CB-CB 3.7Å; A205-C210 CarbonylContact C-O 3.44Å; A205-C210 HydrophobicContact CB-CB 4.2Å; A205-C210 WeakPolarHBondContact O-CB 3.22Å; A205-C210 PolarHBondContact O-N 2.93Å; Y208-C210 PolarHBondContact O-N 3.15Å; C210-V312 VanDerWaalsContact SG-CG2 3.56Å
211Q95.4Very high97.4Very high76 Ų7651 Ų5136%0.35529%0.285SS..SBendtrans-83.5-24.3178-64.884.645.500112.9L170 S171 Q202 G209L170-Q211 HydrophobicContact CD2-CB 4.02Å; S171-Q211 PolarHBondContact O-N 3.49Å; S171-Q211 VanDerWaalsContact OG-CD 3.27Å; S171-Q211 PolarHBondContact OG-NE2 2.97Å; S171-Q211 VanDerWaalsContact OG-NE2 3.08Å; S171-Q211 PolarHBondContact OG-OE1 3.05Å; Q202-Q211 PolarHBondContact NE2-O 3.08Å; G209-Q211 PolarHBondContact O-NE2 3.01Å
212Q96.7Very high97.4Very high22 Ų2252.3 Ų52.310%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-144.7167.5-177.7-68-66.1-66.100111.1F166 S171 L172 W173F166-Q212 HydrophobicContact CE1-CG 4.44Å; F166-Q212 HydrophobicContact CZ-CG 3.89Å; S171-Q212 PolarHBondContact O-N 2.79Å; L172-Q212 CarbonylContact C-O 3.55Å; L172-Q212 VanDerWaalsContact CA-O 3.29Å; L172-Q212 WeakPolarHBondContact CA-O 3.26Å; L172-Q212 HydrophobicContact CD2-CB 3.49Å; L172-Q212 VanDerWaalsContact CD2-CB 3.49Å; L172-Q212 HydrophobicContact CD2-CG 4.48Å; W173-Q212 PolarHBondContact N-O 3.27Å
213V98.4Very high97.4Very high2 Ų249.9 Ų49.91%0.01228%0.28CS..EExtended strand (participates in β ladder)trans-94.1137.4174.1-176.60000109.7W173 A201 A205 W215 G226 G227W173-V213 CarbonylContact O-C 3.59Å; W173-V213 WeakPolarHBondContact O-CA 3.49Å; A201-V213 HydrophobicContact CB-CG2 4.07Å; A205-V213 HydrophobicContact CB-CG2 4Å; V213-W215 HydrophobicContact CB-CD2 4.29Å; V213-W215 HydrophobicContact CB-CE3 4.5Å; V213-W215 HydrophobicContact CB-CH2 4.16Å; V213-W215 HydrophobicContact CB-CZ2 3.91Å; V213-W215 HydrophobicContact CB-CZ3 4.44Å; V213-W215 HydrophobicContact CG1-CD2 3.76Å; V213-W215 HydrophobicContact CG1-CE3 3.62Å; V213-W215 HydrophobicContact CG1-CG 4.49Å; V213-W215 HydrophobicContact CG1-CH2 3.93Å; V213-W215 HydrophobicContact CG1-CZ2 4.04Å; V213-W215 HydrophobicContact CG1-CZ3 3.72Å; V213-W215 HydrophobicContact CG2-CH2 4.23Å; V213-W215 HydrophobicContact CG2-CZ2 4.24Å; V213-G226 CarbonylContact O-C 3.57Å; V213-G226 WeakPolarHBondContact O-CA 3.19Å; V213-G227 PolarHBondContact O-N 3.09Å
214L98.7Very high97.5Very high1 Ų144.2 Ų44.21%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-92.9112.8161.5-176.367.1000107.9L172 W173 A174 L216 I223 I231 M281 M296 I311L172-L214 HydrophobicContact CB-CB 3.94Å; L172-L214 HydrophobicContact CD1-CB 4.03Å; L172-L214 HydrophobicContact CD1-CD1 3.81Å; L172-L214 HydrophobicContact CD1-CG 4.43Å; W173-L214 PolarHBondContact O-N 3.5Å; A174-L214 HydrophobicContact CB-CB 3.93Å; A174-L214 HydrophobicContact CB-CD2 4.01Å; A174-L214 HydrophobicContact CB-CG 4.4Å; L214-L216 HydrophobicContact CD2-CD2 4.39Å; L214-L216 HydrophobicContact CG-CD2 4.38Å; L214-L216 PolarHBondContact O-N 3.41Å; L214-I223 HydrophobicContact CD1-CG2 3.74Å; L214-I223 HydrophobicContact CD2-CG1 4.34Å; L214-I223 HydrophobicContact CG-CG2 4.36Å; L214-I231 HydrophobicContact CD1-CD1 4.32Å; L214-I231 HydrophobicContact CD1-CG1 4.16Å; L214-M281 HydrophobicContact CD2-SD 3.81Å; L214-M296 HydrophobicContact CD1-CE 4.01Å; L214-I311 HydrophobicContact CD2-CD1 3.95Å; L214-I311 HydrophobicContact CD2-CG1 4.4Å; L214-I311 HydrophobicContact CD2-CG2 4.02Å
215W98.8Very high97.5Very high8 Ų842.2 Ų42.23%0.0324%0.241CC..EExtended strand (participates in β ladder)trans-77.6122.7-176.6-60.5112.4000110.9R180 T198 A201 V213 T224 E225 G227R180-W215 HydrophobicContact CB-CB 4.11Å; R180-W215 HydrophobicContact CB-CD2 3.6Å; R180-W215 HydrophobicContact CB-CE3 3.77Å; R180-W215 HydrophobicContact CB-CG 3.75Å; R180-W215 HydrophobicContact CB-CZ3 4.41Å; R180-W215 HydrophobicContact CG-CD2 3.95Å; R180-W215 HydrophobicContact CG-CE3 4.42Å; R180-W215 HydrophobicContact CG-CG 4.14Å; R180-W215 HydrophobicContact CG-CZ2 4.41Å; T198-W215 HydrophobicContact CG2-CH2 3.92Å; T198-W215 HydrophobicContact CG2-CZ2 3.74Å; A201-W215 HydrophobicContact CB-CH2 3.8Å; A201-W215 HydrophobicContact CB-CZ3 3.97Å; V213-W215 HydrophobicContact CB-CD2 4.29Å; V213-W215 HydrophobicContact CB-CE3 4.5Å; V213-W215 HydrophobicContact CB-CH2 4.16Å; V213-W215 HydrophobicContact CB-CZ2 3.91Å; V213-W215 HydrophobicContact CB-CZ3 4.44Å; V213-W215 HydrophobicContact CG1-CD2 3.76Å; V213-W215 HydrophobicContact CG1-CE3 3.62Å; V213-W215 HydrophobicContact CG1-CG 4.49Å; V213-W215 HydrophobicContact CG1-CH2 3.93Å; V213-W215 HydrophobicContact CG1-CZ2 4.04Å; V213-W215 HydrophobicContact CG1-CZ3 3.72Å; V213-W215 HydrophobicContact CG2-CH2 4.23Å; V213-W215 HydrophobicContact CG2-CZ2 4.24Å; W215-T224 WeakPolarHBondContact CB-OG1 3.46Å; W215-T224 PolarHBondContact O-N 2.78Å; W215-T224 PolarHBondContact O-OG1 3.4Å; W215-E225 WeakPolarHBondContact CB-O 3.44Å; W215-E225 VanDerWaalsContact CD1-O 3.29Å; W215-E225 PolarHBondContact N-O 3.19Å; W215-G227 PolarHBondContact NE1-O 3.39Å
216L98.7Very high97.5Very high4 Ų442.2 Ų42.22%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-102.6150.5176.4-56.1-178.1000110.5A174 P176 L214 H221 Q222 I223 M281 Y313A174-L216 HydrophobicContact CB-CD1 4.11Å; A174-L216 HydrophobicContact CB-CG 4.39Å; P176-L216 HydrophobicContact CB-CD1 4.27Å; L214-L216 HydrophobicContact CD2-CD2 4.39Å; L214-L216 HydrophobicContact CG-CD2 4.38Å; L214-L216 PolarHBondContact O-N 3.41Å; L216-H221 HydrophobicContact CD1-CB 4.22Å; L216-Q222 CarbonylContact C-O 3.51Å; L216-Q222 VanDerWaalsContact CA-O 3.26Å; L216-Q222 WeakPolarHBondContact CA-O 3.35Å; L216-I223 HydrophobicContact CD2-CG1 4.29Å; L216-M281 HydrophobicContact CD1-CG 4.17Å; L216-M281 HydrophobicContact CD2-CG 3.6Å; L216-M281 HydrophobicContact CD2-SD 4.06Å; L216-Y313 HydrophobicContact CD1-CD2 4.13Å; L216-Y313 HydrophobicContact CD1-CE2 3.85Å
217Y98.6Very high97.4Very high53 Ų5340.4 Ų40.421%0.20822%0.222CC..EExtended strand (participates in β ladder)trans-140.3144.4177-178.3-103.8000111.5T179 A181 W182 Q222T179-Y217 HydrophobicContact CG2-CD2 3.95Å; T179-Y217 HydrophobicContact CG2-CE2 4.38Å; A181-Y217 WeakPolarHBondContact O-CD2 3.33Å; W182-Y217 HydrophobicContact CB-CE2 4Å; Y217-Q222 PolarHBondContact N-O 3.48Å; Y217-Q222 WeakPolarHBondContact O-CB 3.16Å; Y217-Q222 PolarHBondContact O-N 3.46Å
218G97.7Very high97.4Very high39 Ų3939.1 Ų39.140%0.40221%0.211SC..THydrogen-bonded Turntrans74.3172.8175.900000114.4D220 H221G218-D220 VanDerWaalsContact C-N 3.26Å; G218-D220 PolarHBondContact O-N 3.34Å; G218-H221 PolarHBondContact O-N 2.89Å
219E97.1Very high97.5Very high196 Ų19633.8 Ų33.892%0.91619%0.19SC*.THydrogen-bonded Turntrans-69.3-25-178.7-62.5-178.2171.500112.8H221E219-H221 VanDerWaalsContact C-N 3.3Å
220D97.6Very high97.7Very high81 Ų8131.7 Ų31.743%0.43317%0.167SC..THydrogen-bonded Turntrans-88.55.2177.760.1-24.1000113.2G218 Q222 T280G218-D220 VanDerWaalsContact C-N 3.26Å; G218-D220 PolarHBondContact O-N 3.34Å; D220-Q222 PolarHBondContact O-N 3.34Å; D220-Q222 WeakPolarHBondContact OD1-CG 3.46Å; D220-Q222 PolarHBondContact OD1-NE2 2.89Å; D220-Q222 VanDerWaalsContact OD1-NE2 3.14Å; D220-Q222 WeakPolarHBondContact OD2-CG 3.49Å; D220-Q222 PolarHBondContact OD2-NE2 2.87Å; D220-T280 HydrophobicContact CB-CG2 4.29Å; D220-T280 WeakPolarHBondContact O-CB 3.46Å
221H98.5Very high97.7Very high43 Ų4331.5 Ų31.520%0.19917%0.166CC..THydrogen-bonded Turntrans53.555.2176.9-59.9174.9000111.9L216 G218 E219 I223 M281 Y313L216-H221 HydrophobicContact CD1-CB 4.22Å; G218-H221 PolarHBondContact O-N 2.89Å; E219-H221 VanDerWaalsContact C-N 3.3Å; H221-I223 PolarHBondContact O-N 2.93Å; H221-M281 HydrophobicContact CB-CB 4.18Å; H221-M281 HydrophobicContact CB-CG 4.2Å; H221-M281 PolarHBondContact O-N 3.01Å; H221-Y313 PolarHBondContact CE1-OH 3.29Å; H221-Y313 AromaticContact ND1-CE2 3.8Å; H221-Y313 AromaticContact ND1-CZ 3.67Å; H221-Y313 PolarHBondContact ND1-OH 2.89Å
222Q98.8Very high97.9Very high29 Ų2927.9 Ų27.914%0.13615%0.149CC..EExtended strand (participates in β ladder)trans-61.5130174.1-68.7168.721.300110.2L216 Y217 D220 Y278 L279 T280L216-Q222 CarbonylContact C-O 3.51Å; L216-Q222 VanDerWaalsContact CA-O 3.26Å; L216-Q222 WeakPolarHBondContact CA-O 3.35Å; Y217-Q222 PolarHBondContact N-O 3.48Å; Y217-Q222 WeakPolarHBondContact O-CB 3.16Å; Y217-Q222 PolarHBondContact O-N 3.46Å; D220-Q222 PolarHBondContact O-N 3.34Å; D220-Q222 WeakPolarHBondContact OD1-CG 3.46Å; D220-Q222 PolarHBondContact OD1-NE2 2.89Å; D220-Q222 VanDerWaalsContact OD1-NE2 3.14Å; D220-Q222 WeakPolarHBondContact OD2-CG 3.49Å; D220-Q222 PolarHBondContact OD2-NE2 2.87Å; Q222-Y278 VanDerWaalsContact OE1-CD1 3.26Å; Q222-L279 CarbonylContact C-O 3.59Å; Q222-L279 VanDerWaalsContact CA-O 3.25Å; Q222-L279 WeakPolarHBondContact CA-O 3.45Å; Q222-T280 HydrophobicContact CG-CG2 4.04Å
223I98.8Very high98Very high4 Ų427 Ų272%0.02115%0.145CC..EExtended strand (participates in β ladder)trans-74.4123.6172.7-62.5169.3000107.9L214 L216 H221 I231 P247 L279 M281 L284 M296L214-I223 HydrophobicContact CD1-CG2 3.74Å; L214-I223 HydrophobicContact CD2-CG1 4.34Å; L214-I223 HydrophobicContact CG-CG2 4.36Å; L216-I223 HydrophobicContact CD2-CG1 4.29Å; H221-I223 PolarHBondContact O-N 2.93Å; I223-I231 HydrophobicContact CG2-CB 4.43Å; I223-I231 HydrophobicContact CG2-CG2 3.98Å; I223-P247 WeakPolarHBondContact O-CG 3.17Å; I223-L279 HydrophobicContact CB-CB 4.4Å; I223-L279 PolarHBondContact N-O 2.83Å; I223-M281 HydrophobicContact CD1-SD 3.82Å; I223-M281 HydrophobicContact CG1-CG 4.29Å; I223-M281 HydrophobicContact CG1-SD 3.82Å; I223-L284 HydrophobicContact CD1-CB 4.19Å; I223-L284 HydrophobicContact CD1-CD2 3.88Å; I223-M296 HydrophobicContact CG2-CE 4.21Å
224T98.7Very high97.9Very high9 Ų927.5 Ų27.56%0.05515%0.147CC..EExtended strand (participates in β ladder)trans-109.7-68.9-178.456.80000112W215 I253W215-T224 WeakPolarHBondContact CB-OG1 3.46Å; W215-T224 PolarHBondContact O-N 2.78Å; W215-T224 PolarHBondContact O-OG1 3.4Å; T224-I253 VanDerWaalsContact CB-CD1 3.42Å; T224-I253 HydrophobicContact CG2-CD1 3.94Å
225E98.6Very high97.9Very high8 Ų827.4 Ų27.44%0.03715%0.147CC..EExtended strand (participates in β ladder)trans-140.8158.9-175.6-70-170.2139.200111.2R180 W215 M229 N230 I253 L254R180-E225 WeakPolarHBondContact CD-OE2 3.16Å; R180-E225 IonicContact CZ-OE2 2.76Å; R180-E225 IonicContact NE-OE2 3.74Å; R180-E225 PolarHBondContact NE-OE2 2.89Å; R180-E225 IonicContact NH1-OE2 2.75Å; R180-E225 IonicContact NH2-OE2 3.27Å; R180-E225 PolarHBondContact NH2-OE2 3.43Å; R180-E225 VanDerWaalsContact NH2-OE2 3.09Å; W215-E225 WeakPolarHBondContact CB-O 3.44Å; W215-E225 VanDerWaalsContact CD1-O 3.29Å; W215-E225 PolarHBondContact N-O 3.19Å; E225-M229 WeakPolarHBondContact CA-O 3.39Å; E225-M229 VanDerWaalsContact CB-O 3.31Å; E225-M229 WeakPolarHBondContact CB-O 3.47Å; E225-N230 PolarHBondContact OE1-ND2 3Å; E225-I253 HydrophobicContact CG-CD1 4.13Å; E225-I253 HydrophobicContact CG-CG2 4.35Å; E225-L254 WeakPolarHBondContact OE1-CB 3.41Å; E225-L254 PolarHBondContact OE1-N 3.27Å
226G96.8Very high97.9Very high0 Ų029.2 Ų29.20%016%0.156CC..EExtended strand (participates in β ladder)trans-110.7101.6174.700000109.6V213 T228 M229V213-G226 CarbonylContact O-C 3.57Å; V213-G226 WeakPolarHBondContact O-CA 3.19Å; G226-T228 PolarHBondContact O-N 3.42Å; G226-M229 PolarHBondContact N-O 2.87Å; G226-M229 VanDerWaalsContact O-CB 3.26Å; G226-M229 WeakPolarHBondContact O-CB 3.46Å; G226-M229 WeakPolarHBondContact O-CE 3.5Å; G226-M229 PolarHBondContact O-N 3.14Å
227G95.9Very high97.8Very high7 Ų729.2 Ų29.27%0.07216%0.156CC..THydrogen-bonded Turntrans62.6-108.4-174.900000110.9V213 W215V213-G227 PolarHBondContact O-N 3.09Å; W215-G227 PolarHBondContact NE1-O 3.39Å
228T95.3Very high97.7Very high67 Ų6730.6 Ų30.641%0.41117%0.165SC..THydrogen-bonded Turntrans-112.725175.459.40000112.9Y195 G226Y195-T228 HydrophobicContact CD1-CG2 4.09Å; Y195-T228 HydrophobicContact CE1-CG2 3.9Å; G226-T228 PolarHBondContact O-N 3.42Å
229M96.8Very high97.6Very high5 Ų535 Ų353%0.02518%0.179CC..EExtended strand (participates in β ladder)trans-120.8145.2-175.7-53.5174.8-6800111.1F166 L170 E225 G226 S299 C303 C306F166-M229 HydrophobicContact CE2-CE 4.39Å; F166-M229 HydrophobicContact CE2-SD 4.13Å; L170-M229 HydrophobicContact CD1-CE 3.69Å; L170-M229 HydrophobicContact CD1-SD 4.46Å; E225-M229 WeakPolarHBondContact CA-O 3.39Å; E225-M229 VanDerWaalsContact CB-O 3.31Å; E225-M229 WeakPolarHBondContact CB-O 3.47Å; G226-M229 PolarHBondContact N-O 2.87Å; G226-M229 VanDerWaalsContact O-CB 3.26Å; G226-M229 WeakPolarHBondContact O-CB 3.46Å; G226-M229 WeakPolarHBondContact O-CE 3.5Å; G226-M229 PolarHBondContact O-N 3.14Å; M229-S299 CarbonylContact C-O 3.48Å; M229-S299 VanDerWaalsContact CA-O 3.27Å; M229-S299 WeakPolarHBondContact CA-O 3.23Å; M229-S299 WeakPolarHBondContact CB-O 3.43Å; M229-C303 HydrophobicContact SD-CB 4.5Å; M229-C303 PolarHBondContact SD-SG 3.41Å; M229-C306 HydrophobicContact SD-CB 4Å
230N98.7Very high97.6Very high6 Ų628.2 Ų28.23%0.03216%0.161CC..EExtended strand (participates in β ladder)trans-71.2148.1165.9-58.9117.7000110E225 I253 L254 G256 R259 G298 S299E225-N230 PolarHBondContact OE1-ND2 3Å; N230-I253 WeakPolarHBondContact ND2-CG2 3.47Å; N230-L254 PolarHBondContact ND2-O 3.45Å; N230-G256 VanDerWaalsContact OD1-CA 3.26Å; N230-G256 WeakPolarHBondContact OD1-CA 3.37Å; N230-G256 PolarHBondContact OD1-N 2.96Å; N230-R259 HydrophobicContact CB-CB 3.96Å; N230-R259 HydrophobicContact CB-CG 4.16Å; N230-R259 WeakPolarHBondContact OD1-CB 3.23Å; N230-G298 CarbonylContact O-C 3.5Å; N230-G298 VanDerWaalsContact O-CA 3.28Å; N230-G298 WeakPolarHBondContact O-CA 3.39Å; N230-S299 PolarHBondContact N-O 2.85Å; N230-S299 PolarHBondContact O-N 2.81Å
231I98.3Very high97.6Very high1 Ų127.2 Ų27.21%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-102.6142.8-179.4-70.8-64.8000111.4L172 L214 I223 T246 P247 M296 I308L172-I231 HydrophobicContact CD1-CD1 4.47Å; L214-I231 HydrophobicContact CD1-CD1 4.32Å; L214-I231 HydrophobicContact CD1-CG1 4.16Å; I223-I231 HydrophobicContact CG2-CB 4.43Å; I223-I231 HydrophobicContact CG2-CG2 3.98Å; I231-T246 WeakPolarHBondContact O-CB 3.48Å; I231-T246 PolarHBondContact O-OG1 3.08Å; I231-P247 WeakPolarHBondContact O-CD 3.48Å; I231-M296 HydrophobicContact CD1-CE 4.2Å; I231-M296 HydrophobicContact CG1-CE 4.47Å; I231-M296 HydrophobicContact CG2-CE 3.4Å; I231-M296 HydrophobicContact CG2-CG 4.39Å; I231-I308 HydrophobicContact CD1-CD1 3.44Å; I231-I308 VanDerWaalsContact CD1-CD1 3.44Å
232F98.6Very high97.6Very high0 Ų028.3 Ų28.30%016%0.161CC..EExtended strand (participates in β ladder)trans-125.6144.3169.9-75.1-94.3000110.6L244 A245 T246 R259 I262 L263 M296 F297 S299F232-L244 HydrophobicContact CB-CD1 4.08Å; F232-L244 HydrophobicContact CD1-CD1 3.89Å; F232-L244 HydrophobicContact CD1-CD2 4.12Å; F232-L244 HydrophobicContact CD1-CG 3.96Å; F232-L244 HydrophobicContact CE1-CD2 4.41Å; F232-L244 HydrophobicContact CG-CD1 4.43Å; F232-A245 CarbonylContact C-O 3.51Å; F232-A245 WeakPolarHBondContact CA-O 3.33Å; F232-T246 HydrophobicContact CD1-CG2 4.34Å; F232-T246 HydrophobicContact CE1-CG2 3.83Å; F232-T246 HydrophobicContact CZ-CG2 4.24Å; F232-R259 HydrophobicContact CE2-CB 4.13Å; F232-R259 HydrophobicContact CE2-CG 3.94Å; F232-R259 HydrophobicContact CZ-CB 4.18Å; F232-R259 HydrophobicContact CZ-CG 3.67Å; F232-I262 HydrophobicContact CD1-CG2 4.09Å; F232-I262 HydrophobicContact CD2-CD1 4.42Å; F232-I262 HydrophobicContact CE1-CB 4.26Å; F232-I262 HydrophobicContact CE1-CG2 3.63Å; F232-I262 HydrophobicContact CE2-CB 4.33Å; F232-I262 HydrophobicContact CE2-CD1 4.04Å; F232-I262 HydrophobicContact CE2-CG2 4.25Å; F232-I262 HydrophobicContact CZ-CB 3.86Å; F232-I262 HydrophobicContact CZ-CD1 4.44Å; F232-I262 HydrophobicContact CZ-CG2 3.72Å; F232-L263 HydrophobicContact CE1-CD2 3.98Å; F232-L263 HydrophobicContact CE1-CG 4.15Å; F232-L263 HydrophobicContact CZ-CG 4.3Å; F232-M296 WeakPolarHBondContact O-CA 3.45Å; F232-M296 WeakPolarHBondContact O-CG 3.37Å; F232-F297 HydrophobicContact CB-CD1 4.34Å; F232-F297 HydrophobicContact CB-CD2 3.88Å; F232-F297 HydrophobicContact CB-CE1 3.94Å; F232-F297 HydrophobicContact CB-CE2 3.41Å; F232-F297 VanDerWaalsContact CB-CE2 3.41Å; F232-F297 HydrophobicContact CB-CG 4.33Å; F232-F297 HydrophobicContact CB-CZ 3.45Å; F232-F297 VanDerWaalsContact CB-CZ 3.45Å; F232-F297 HydrophobicContact CD1-CE2 4.5Å; F232-F297 HydrophobicContact CD1-CZ 4.46Å; F232-F297 HydrophobicContact CD2-CD2 4.32Å; F232-F297 AromaticContact CD2-CE2 3.79Å; F232-F297 HydrophobicContact CD2-CE2 3.79Å; F232-F297 HydrophobicContact CD2-CZ 4.5Å; F232-F297 HydrophobicContact CG-CD2 4.39Å; F232-F297 AromaticContact CG-CE2 3.66Å; F232-F297 HydrophobicContact CG-CE2 3.66Å; F232-F297 AromaticContact CG-CZ 3.92Å; F232-F297 HydrophobicContact CG-CZ 3.92Å; F232-F297 PolarHBondContact N-O 3.1Å; F232-F297 PolarHBondContact O-N 3.32Å; F232-F297 VanDerWaalsContact O-N 3.09Å; F232-S299 WeakPolarHBondContact CE2-OG 3.31Å
233L98.3Very high97.6Very high3 Ų327 Ų272%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-125.3117.4176.5-167.875000109W235 A245 L279 L284 L293 M296L233-W235 HydrophobicContact CD2-CD2 3.78Å; L233-W235 HydrophobicContact CD2-CE3 4.08Å; L233-W235 HydrophobicContact CD2-CG 4.01Å; L233-W235 HydrophobicContact CG-CB 4.46Å; L233-W235 HydrophobicContact CG-CD2 4.49Å; L233-W235 HydrophobicContact CG-CG 4.22Å; L233-A245 HydrophobicContact CB-CB 4.5Å; L233-A245 PolarHBondContact N-O 2.98Å; L233-A245 PolarHBondContact O-N 2.93Å; L233-L279 HydrophobicContact CB-CD1 3.78Å; L233-L279 HydrophobicContact CD2-CD1 4.24Å; L233-L279 HydrophobicContact CD2-CD2 3.99Å; L233-L284 HydrophobicContact CD1-CD1 3.82Å; L233-L293 HydrophobicContact CD1-CD1 3.32Å; L233-L293 HydrophobicContact CG-CD1 3.95Å; L233-M296 HydrophobicContact CD1-CB 4.09Å; L233-M296 HydrophobicContact CD1-CG 3.94Å; L233-M296 HydrophobicContact CD1-SD 4.27Å
234H98Very high97.6Very high13 Ų1326.8 Ų26.86%0.0615%0.154CC..EExtended strand (participates in β ladder)trans-105.5119172.5179.2-146.2000108.8E242 E243 L244 K294 E295 L328H234-E242 IonicContact CD2-OE1 3.54Å; H234-E242 IonicContact CE1-OE1 3.55Å; H234-E242 PolarHBondContact CE1-OE1 3.13Å; H234-E242 VanDerWaalsContact CE1-OE1 3.3Å; H234-E242 IonicContact NE2-OE1 3.39Å; H234-E242 PolarHBondContact NE2-OE1 2.74Å; H234-E243 WeakPolarHBondContact CA-O 3.31Å; H234-E243 PolarHBondContact CD2-O 3.08Å; H234-L244 HydrophobicContact CB-CD1 4.09Å; H234-K294 WeakPolarHBondContact O-CA 3.44Å; H234-K294 WeakPolarHBondContact O-CB 3.49Å; H234-K294 PolarHBondContact O-N 3.34Å; H234-E295 HydrophobicContact CB-CG 3.61Å; H234-E295 PolarHBondContact N-O 2.97Å; H234-E295 PolarHBondContact O-N 3.41Å; H234-E295 VanDerWaalsContact O-N 3.09Å; H234-L328 HydrophobicContact CB-CD2 4.18Å
235W97.9Very high97.6Very high0 Ų026.3 Ų26.30%015%0.151CC..EExtended strand (participates in β ladder)trans-158.7168.8-168.170.3-31.4000111.8L233 N237 E238 E243 L279 Q283 A287 R292 L293L233-W235 HydrophobicContact CD2-CD2 3.78Å; L233-W235 HydrophobicContact CD2-CE3 4.08Å; L233-W235 HydrophobicContact CD2-CG 4.01Å; L233-W235 HydrophobicContact CG-CB 4.46Å; L233-W235 HydrophobicContact CG-CD2 4.49Å; L233-W235 HydrophobicContact CG-CG 4.22Å; W235-N237 HydrophobicContact CZ2-CB 4.06Å; W235-E238 HydrophobicContact CH2-CG 4.5Å; W235-E238 WeakPolarHBondContact CH2-OE1 3.42Å; W235-E243 PolarHBondContact N-O 3.05Å; W235-E243 PolarHBondContact O-N 3.1Å; W235-L279 HydrophobicContact CZ2-CD2 4.39Å; W235-Q283 HydrophobicContact CH2-CB 4.18Å; W235-Q283 HydrophobicContact CZ3-CB 4.4Å; W235-A287 HydrophobicContact CE3-CB 3.55Å; W235-A287 HydrophobicContact CZ3-CB 3.77Å; W235-R292 CarbonylContact C-O 3.53Å; W235-R292 WeakPolarHBondContact CA-O 3.39Å; W235-R292 WeakPolarHBondContact CB-O 3.48Å; W235-R292 VanDerWaalsContact CE3-NH1 3.28Å; W235-L293 HydrophobicContact CB-CD1 4.25Å
236I98.4Very high97.6Very high46 Ų4626 Ų2624%0.23615%0.15CC..EExtended strand (participates in β ladder)trans-85.6118.7159.5-54.1-55.6000107.1G240 D241 E242 R292I236-G240 VanDerWaalsContact CG2-C 3.49Å; I236-G240 WeakPolarHBondContact CG2-O 3.46Å; I236-D241 CarbonylContact C-O 3.48Å; I236-D241 WeakPolarHBondContact CA-O 3.22Å; I236-E242 HydrophobicContact CD1-CB 3.84Å; I236-E242 HydrophobicContact CD1-CG 4.26Å; I236-R292 HydrophobicContact CB-CB 4.16Å; I236-R292 HydrophobicContact CB-CG 4.21Å; I236-R292 PolarHBondContact N-O 3.05Å; I236-R292 WeakPolarHBondContact O-CB 3.38Å; I236-R292 WeakPolarHBondContact O-CD 3.47Å; I236-R292 PolarHBondContact O-NH1 3.13Å
237N96.9Very high97.7Very high3 Ų326.1 Ų26.12%0.01615%0.151CC..  trans-72.4-175.8-176.773.512.5000112.3W235 D239 G240 D241 E243W235-N237 HydrophobicContact CZ2-CB 4.06Å; N237-D239 PolarHBondContact O-N 2.87Å; N237-D239 WeakPolarHBondContact OD1-CA 3.37Å; N237-D239 WeakPolarHBondContact OD1-CB 3.48Å; N237-D239 PolarHBondContact OD1-N 3.28Å; N237-G240 PolarHBondContact O-N 3.36Å; N237-G240 PolarHBondContact OD1-N 2.98Å; N237-G240 VanDerWaalsContact OD1-N 3.09Å; N237-D241 PolarHBondContact N-O 3.37Å; N237-D241 PolarHBondContact OD1-N 2.88Å; N237-D241 PolarHBondContact OD1-O 3.37Å; N237-E243 HydrophobicContact CB-CB 4.34Å; N237-E243 WeakPolarHBondContact CB-OE2 3.34Å; N237-E243 PolarHBondContact ND2-OE2 3.33Å
238E96.1Very high97.8Very high83 Ų8327 Ų2739%0.38816%0.155SC..THydrogen-bonded Turntrans-67.2-24.3-178.4-5693.2160.400114W235 G240 R277 Q283W235-E238 HydrophobicContact CH2-CG 4.5Å; W235-E238 WeakPolarHBondContact CH2-OE1 3.42Å; E238-G240 VanDerWaalsContact C-N 3.31Å; E238-R277 IonicContact OE1-NH2 3.1Å; E238-R277 IonicContact OE2-CZ 2.6Å; E238-R277 IonicContact OE2-NH1 3.29Å; E238-R277 IonicContact OE2-NH2 3.72Å; E238-R277 PolarHBondContact OE2-NH2 2.87Å; E238-R277 VanDerWaalsContact OE2-NH2 3.1Å; E238-Q283 WeakPolarHBondContact OE1-CG 3.27Å; E238-Q283 PolarHBondContact OE1-NE2 2.89Å
239D96.7Very high98Very high132 Ų13227.7 Ų27.771%0.70616%0.156SC*.THydrogen-bonded Turntrans-85.2-6.2178.1-59.3-42.5000112.5N237N237-D239 PolarHBondContact O-N 2.87Å; N237-D239 WeakPolarHBondContact OD1-CA 3.37Å; N237-D239 WeakPolarHBondContact OD1-CB 3.48Å; N237-D239 PolarHBondContact OD1-N 3.28Å
240G96.9Very high98Very high52 Ų5229.3 Ų29.354%0.53616%0.164SC..SBendtrans91.47.3-179.500000114.8I236 N237 E238I236-G240 VanDerWaalsContact CG2-C 3.49Å; I236-G240 WeakPolarHBondContact CG2-O 3.46Å; N237-G240 PolarHBondContact O-N 3.36Å; N237-G240 PolarHBondContact OD1-N 2.98Å; N237-G240 VanDerWaalsContact OD1-N 3.09Å; E238-G240 VanDerWaalsContact C-N 3.31Å
241D97.7Very high97.9Very high60 Ų6029.8 Ų29.832%0.32117%0.171SC..  trans-90.1144.9178.9-62-58.9000112.2I236 N237 K273I236-D241 CarbonylContact C-O 3.48Å; I236-D241 WeakPolarHBondContact CA-O 3.22Å; N237-D241 PolarHBondContact N-O 3.37Å; N237-D241 PolarHBondContact OD1-N 2.88Å; N237-D241 PolarHBondContact OD1-O 3.37Å; D241-K273 HydrophobicContact CB-CD 3.91Å; D241-K273 WeakPolarHBondContact OD2-CE 3.14Å; D241-K273 IonicContact OD2-NZ 3.48Å; D241-K273 PolarHBondContact OD2-NZ 2.88Å
242E98.3Very high97.9Very high67 Ų6730 Ų3031%0.31317%0.172SC..EExtended strand (participates in β ladder)trans-72128.1168.7-174.5164.5179.900111.2H234 I236 F272 K273 K294H234-E242 IonicContact CD2-OE1 3.54Å; H234-E242 IonicContact CE1-OE1 3.55Å; H234-E242 PolarHBondContact CE1-OE1 3.13Å; H234-E242 VanDerWaalsContact CE1-OE1 3.3Å; H234-E242 IonicContact NE2-OE1 3.39Å; H234-E242 PolarHBondContact NE2-OE1 2.74Å; I236-E242 HydrophobicContact CD1-CB 3.84Å; I236-E242 HydrophobicContact CD1-CG 4.26Å; E242-F272 HydrophobicContact CB-CB 4.15Å; E242-F272 HydrophobicContact CG-CB 3.79Å; E242-F272 HydrophobicContact CG-CG 4.45Å; E242-K273 PolarHBondContact O-N 3.19Å; E242-K294 IonicContact OE1-NZ 3.75Å; E242-K294 PolarHBondContact OE1-NZ 3.27Å; E242-K294 IonicContact OE2-NZ 3.86Å; E242-K294 PolarHBondContact OE2-NZ 3.1Å
243E98.2Very high97.9Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-143.4136.5-170-172.6-175.7136.100111.9H234 W235 N237 A245 K273 L275 R277H234-E243 WeakPolarHBondContact CA-O 3.31Å; H234-E243 PolarHBondContact CD2-O 3.08Å; W235-E243 PolarHBondContact N-O 3.05Å; W235-E243 PolarHBondContact O-N 3.1Å; N237-E243 HydrophobicContact CB-CB 4.34Å; N237-E243 WeakPolarHBondContact CB-OE2 3.34Å; N237-E243 PolarHBondContact ND2-OE2 3.33Å; E243-A245 HydrophobicContact CG-CB 4.43Å; E243-A245 WeakPolarHBondContact OE1-CB 3.37Å; E243-K273 CarbonylContact C-O 3.48Å; E243-K273 VanDerWaalsContact CA-O 3.28Å; E243-K273 WeakPolarHBondContact CA-O 3.35Å; E243-K273 HydrophobicContact CB-CB 4.21Å; E243-K273 HydrophobicContact CG-CB 4.07Å; E243-L275 HydrophobicContact CG-CB 4.41Å; E243-L275 HydrophobicContact CG-CD1 4.32Å; E243-L275 HydrophobicContact CG-CG 4.28Å; E243-R277 WeakPolarHBondContact OE1-CD 3.36Å; E243-R277 IonicContact OE1-NH1 3.75Å; E243-R277 IonicContact OE2-NH1 3.65Å; E243-R277 PolarHBondContact OE2-NH1 3.05Å
244L98.8Very high97.9Very high0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-100112.5159.6179.968.2000108.8F232 H234 I262 A266 F272 K273 V274 L275 F297 L328F232-L244 HydrophobicContact CB-CD1 4.08Å; F232-L244 HydrophobicContact CD1-CD1 3.89Å; F232-L244 HydrophobicContact CD1-CD2 4.12Å; F232-L244 HydrophobicContact CD1-CG 3.96Å; F232-L244 HydrophobicContact CE1-CD2 4.41Å; F232-L244 HydrophobicContact CG-CD1 4.43Å; H234-L244 HydrophobicContact CB-CD1 4.09Å; L244-I262 HydrophobicContact CD2-CG2 4.11Å; L244-A266 HydrophobicContact CD2-CB 3.71Å; L244-F272 HydrophobicContact CB-CD2 3.94Å; L244-F272 HydrophobicContact CB-CE2 3.54Å; L244-F272 HydrophobicContact CD2-CE2 4.21Å; L244-F272 HydrophobicContact CG-CE2 4.5Å; L244-K273 PolarHBondContact N-O 3.34Å; L244-V274 WeakPolarHBondContact O-CA 3.39Å; L244-L275 PolarHBondContact O-N 2.97Å; L244-F297 HydrophobicContact CD1-CE1 4.19Å; L244-F297 HydrophobicContact CD1-CZ 3.99Å; L244-L328 HydrophobicContact CD1-CD2 3.99Å; L244-L328 HydrophobicContact CD2-CD2 4.27Å; L244-L328 HydrophobicContact CG-CD2 4.49Å
245A98.8Very high97.9Very high0 Ų032.4 Ų32.40%019%0.188CC..EExtended strand (participates in β ladder)trans-110.3145.7-177.500000112F232 L233 E243 L275 R277 L279F232-A245 CarbonylContact C-O 3.51Å; F232-A245 WeakPolarHBondContact CA-O 3.33Å; L233-A245 HydrophobicContact CB-CB 4.5Å; L233-A245 PolarHBondContact N-O 2.98Å; L233-A245 PolarHBondContact O-N 2.93Å; E243-A245 HydrophobicContact CG-CB 4.43Å; E243-A245 WeakPolarHBondContact OE1-CB 3.37Å; A245-L275 WeakPolarHBondContact CA-O 3.07Å; A245-R277 HydrophobicContact CB-CG 4.24Å; A245-L279 HydrophobicContact CB-CD1 4.06Å; A245-L279 HydrophobicContact CB-CD2 3.85Å; A245-L279 HydrophobicContact CB-CG 4.37Å
246T98.9Very high98Very high1 Ų132.9 Ų32.91%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-144.3149.2168.6-173.70000109.9I231 F232 L263 L275 E276 R277I231-T246 WeakPolarHBondContact O-CB 3.48Å; I231-T246 PolarHBondContact O-OG1 3.08Å; F232-T246 HydrophobicContact CD1-CG2 4.34Å; F232-T246 HydrophobicContact CE1-CG2 3.83Å; F232-T246 HydrophobicContact CZ-CG2 4.24Å; T246-L263 HydrophobicContact CG2-CD1 4.2Å; T246-L263 HydrophobicContact CG2-CD2 3.91Å; T246-L263 HydrophobicContact CG2-CG 4.43Å; T246-L275 PolarHBondContact N-O 3.23Å; T246-L275 VanDerWaalsContact N-O 3.08Å; T246-E276 HydrophobicContact CG2-CG 4.02Å; T246-E276 CarbonylContact O-C 3.51Å; T246-E276 VanDerWaalsContact O-CA 3.26Å; T246-E276 WeakPolarHBondContact O-CA 3.29Å; T246-R277 PolarHBondContact O-N 3.02Å
247P98.8Very high98Very high3 Ų331 Ų312%0.01918%0.184CC..  trans-56.2142.6177-29.239000112.9I223 I231 I253 R259 R277I223-P247 WeakPolarHBondContact O-CG 3.17Å; I231-P247 WeakPolarHBondContact O-CD 3.48Å; P247-I253 HydrophobicContact CB-CD1 4Å; P247-I253 HydrophobicContact CB-CG1 4.07Å; P247-R259 PolarHBondContact O-NH2 2.79Å; P247-R277 WeakPolarHBondContact CA-O 3.48Å
248P98.6Very high98Very high24 Ų2431.4 Ų31.416%0.15619%0.186CC..  trans-73.1159.9-17932.4-36.4000112D250 I253 E276 Y278P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 PolarHBondContact O-N 3.49Å; P248-I253 WeakPolarHBondContact O-CG1 3.35Å; P248-E276 HydrophobicContact CB-CB 4.49Å; P248-Y278 HydrophobicContact CG-CD1 3.98Å; P248-Y278 HydrophobicContact CG-CD2 4.41Å; P248-Y278 HydrophobicContact CG-CE1 3.68Å; P248-Y278 HydrophobicContact CG-CE2 4.15Å; P248-Y278 HydrophobicContact CG-CG 4.34Å
249L98.5Very high98.1Very high83 Ų8327.6 Ų27.644%0.43517%0.168SC..  trans-80.976.4176-59.8-179.7000111.1I253 P255L249-I253 HydrophobicContact CD2-CB 4.19Å; L249-I253 HydrophobicContact CD2-CG2 4.07Å; L249-P255 HydrophobicContact CD1-CB 3.96Å; L249-P255 HydrophobicContact CD2-CB 4.1Å
250D97.4Very high98.2Very high38 Ų3824.1 Ų24.120%0.20315%0.148CC..SBendtrans-98.711.8-176.478.8-12.5000114.9K183 P248 T252 Y278K183-D250 WeakPolarHBondContact CE-OD2 3.27Å; K183-D250 IonicContact NZ-OD2 3.53Å; P248-D250 VanDerWaalsContact C-N 3.32Å; P248-D250 PolarHBondContact O-N 3.49Å; D250-T252 WeakPolarHBondContact OD1-CB 3.48Å; D250-T252 PolarHBondContact OD1-N 2.98Å; D250-T252 PolarHBondContact OD1-OG1 2.91Å; D250-Y278 WeakPolarHBondContact OD2-CE1 3.37Å; D250-Y278 PolarHBondContact OD2-OH 3.31Å
251G97Very high98.3Very high17 Ų1721.6 Ų21.618%0.17512%0.122CC..SBendtrans98.5-13-176.100000114.4D188D188-G251 PolarHBondContact N-O 3.24Å
252T97.4Very high98.3Very high5 Ų518.8 Ų18.83%0.03111%0.107CC..SBendtrans-97.8-10.6177.568.40000114R180 K183 D250R180-T252 PolarHBondContact NH2-O 2.88Å; K183-T252 HydrophobicContact CG-CG2 3.96Å; D250-T252 WeakPolarHBondContact OD1-CB 3.48Å; D250-T252 PolarHBondContact OD1-N 2.98Å; D250-T252 PolarHBondContact OD1-OG1 2.91Å
253I98.6Very high98.4Very high2 Ų215.6 Ų15.61%0.019%0.092CC..SBendtrans-111.1134-177.1-51.9-58.4000110D188 T224 E225 N230 P247 P248 L249D188-I253 WeakPolarHBondContact CA-O 3.45Å; T224-I253 VanDerWaalsContact CB-CD1 3.42Å; T224-I253 HydrophobicContact CG2-CD1 3.94Å; E225-I253 HydrophobicContact CG-CD1 4.13Å; E225-I253 HydrophobicContact CG-CG2 4.35Å; N230-I253 WeakPolarHBondContact ND2-CG2 3.47Å; P247-I253 HydrophobicContact CB-CD1 4Å; P247-I253 HydrophobicContact CB-CG1 4.07Å; P248-I253 WeakPolarHBondContact O-CG1 3.35Å; L249-I253 HydrophobicContact CD2-CB 4.19Å; L249-I253 HydrophobicContact CD2-CG2 4.07Å
254L98.6Very high98.4Very high15 Ų1517.6 Ų17.68%0.07910%0.103CC..  trans-73.3127.8174-171.975000109.4K190 E225 N230 G256K190-L254 HydrophobicContact CB-CD1 4.16Å; K190-L254 HydrophobicContact CD-CD2 4.31Å; K190-L254 HydrophobicContact CG-CD2 4.37Å; E225-L254 WeakPolarHBondContact OE1-CB 3.41Å; E225-L254 PolarHBondContact OE1-N 3.27Å; N230-L254 PolarHBondContact ND2-O 3.45Å; L254-G256 VanDerWaalsContact C-N 3.31Å; L254-G256 PolarHBondContact O-N 2.86Å
255P98.5Very high98.4Very high49 Ų4917.9 Ų17.932%0.31810%0.104SC..  trans-71.784.6177.428.1-33000110.7R91 D188 L249R91-P255 PolarHBondContact NH1-O 2.82Å; D188-P255 WeakPolarHBondContact O-CD 3.45Å; L249-P255 HydrophobicContact CD1-CB 3.96Å; L249-P255 HydrophobicContact CD2-CB 4.1Å
256G98.4Very high98.3Very high10 Ų1017.9 Ų17.910%0.10310%0.104CC..  trans-67139.6-178.800000113.1N230 L254 R259 Q260N230-G256 VanDerWaalsContact OD1-CA 3.26Å; N230-G256 WeakPolarHBondContact OD1-CA 3.37Å; N230-G256 PolarHBondContact OD1-N 2.96Å; L254-G256 VanDerWaalsContact C-N 3.31Å; L254-G256 PolarHBondContact O-N 2.86Å; G256-R259 WeakPolarHBondContact O-CB 3.48Å; G256-R259 PolarHBondContact O-N 2.95Å; G256-Q260 PolarHBondContact O-N 2.77Å
257V98.4Very high98.3Very high8 Ų822.8 Ų22.85%0.04812%0.123CC..Hα-helixtrans-67.5-42176.4174.30000110F83 R84 L87 Q260 S261F83-V257 HydrophobicContact CD1-CG1 4.44Å; F83-V257 HydrophobicContact CE1-CG1 4.33Å; R84-V257 HydrophobicContact CB-CG1 3.84Å; L87-V257 HydrophobicContact CB-CG1 4.48Å; L87-V257 HydrophobicContact CB-CG2 3.79Å; L87-V257 HydrophobicContact CD1-CG1 4.18Å; V257-Q260 PolarHBondContact O-N 3.28Å; V257-S261 PolarHBondContact O-N 2.8Å; V257-S261 PolarHBondContact O-OG 3.45Å; V257-S261 VanDerWaalsContact O-OG 3.1Å
258T97.9Very high98.3Very high11 Ų1130.6 Ų30.67%0.06716%0.156CC..Hα-helixtrans-63.2-42174.5-43.30000111.5Q260 S261 I262 L336T258-Q260 VanDerWaalsContact C-N 3.35Å; T258-Q260 PolarHBondContact O-N 2.04Å; T258-S261 PolarHBondContact O-N 3.03Å; T258-I262 HydrophobicContact CG2-CD1 4.13Å; T258-I262 HydrophobicContact CG2-CG1 4.46Å; T258-I262 VanDerWaalsContact O-CG1 3.26Å; T258-I262 WeakPolarHBondContact O-CG1 3.44Å; T258-I262 PolarHBondContact O-N 2.89Å; T258-L336 HydrophobicContact CG2-CD1 4.04Å
259R98.6Very high98.3Very high2 Ų231.7 Ų31.71%0.00816%0.157CC..Hα-helixtrans-54.4-50.5173.7177.1-165.4-178.4-87.25111.2N230 F232 P247 G256 S261 I262 L263 E276N230-R259 HydrophobicContact CB-CB 3.96Å; N230-R259 HydrophobicContact CB-CG 4.16Å; N230-R259 WeakPolarHBondContact OD1-CB 3.23Å; F232-R259 HydrophobicContact CE2-CB 4.13Å; F232-R259 HydrophobicContact CE2-CG 3.94Å; F232-R259 HydrophobicContact CZ-CB 4.18Å; F232-R259 HydrophobicContact CZ-CG 3.67Å; P247-R259 PolarHBondContact O-NH2 2.79Å; G256-R259 WeakPolarHBondContact O-CB 3.48Å; G256-R259 PolarHBondContact O-N 2.95Å; R259-S261 PolarHBondContact O-N 3.41Å; R259-I262 PolarHBondContact O-N 3.27Å; R259-L263 HydrophobicContact CG-CD1 4.37Å; R259-L263 WeakPolarHBondContact O-CG 3.31Å; R259-L263 PolarHBondContact O-N 3.47Å; R259-L263 VanDerWaalsContact O-N 3.08Å; R259-E276 IonicContact CZ-OE2 3.57Å; R259-E276 VanDerWaalsContact CZ-OE2 3.27Å; R259-E276 IonicContact NH1-OE2 2.69Å; R259-E276 PolarHBondContact NH1-OE2 2.87Å; R259-E276 IonicContact NH2-OE2 3.52Å; R259-E276 PolarHBondContact NH2-OE2 3.43Å
260Q98.7Very high98.2Very high59 Ų5934.3 Ų34.328%0.27617%0.172SC..Hα-helixtrans-59.9-45.9178.4-172.260.55200111.7G256 V257 T258 I262 L263 D264G256-Q260 PolarHBondContact O-N 2.77Å; V257-Q260 PolarHBondContact O-N 3.28Å; T258-Q260 VanDerWaalsContact C-N 3.35Å; T258-Q260 PolarHBondContact O-N 2.04Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 3.03Å; Q260-L263 PolarHBondContact O-N 3.47Å; Q260-D264 PolarHBondContact NE2-OD1 3.26Å; Q260-D264 PolarHBondContact O-N 3.24Å
261S98.4Very high98.2Very high0 Ų037.9 Ų37.90%019%0.188CC..Hα-helixtrans-62.1-35.8178.4-59.80000113.2F83 R84 V257 T258 R259 D264 L265 W348F83-S261 WeakPolarHBondContact CZ-OG 2.87Å; R84-S261 WeakPolarHBondContact CD-OG 3.39Å; R84-S261 PolarHBondContact NH1-OG 2.69Å; V257-S261 PolarHBondContact O-N 2.8Å; V257-S261 PolarHBondContact O-OG 3.45Å; V257-S261 VanDerWaalsContact O-OG 3.1Å; T258-S261 PolarHBondContact O-N 3.03Å; R259-S261 PolarHBondContact O-N 3.41Å; S261-D264 PolarHBondContact O-N 3.46Å; S261-L265 WeakPolarHBondContact O-CB 3.32Å; S261-L265 WeakPolarHBondContact O-CG 3.15Å; S261-L265 PolarHBondContact O-N 3.1Å; S261-W348 WeakPolarHBondContact O-CH2 3.03Å
262I98.6Very high98.3Very high0 Ų038.3 Ų38.30%019%0.185CC..Hα-helixtrans-66.7-45.5176.2-68.8175.2000110.9F232 L244 T258 R259 Q260 D264 L265 A266 F297 V305 I332 L336F232-I262 HydrophobicContact CD1-CG2 4.09Å; F232-I262 HydrophobicContact CD2-CD1 4.42Å; F232-I262 HydrophobicContact CE1-CB 4.26Å; F232-I262 HydrophobicContact CE1-CG2 3.63Å; F232-I262 HydrophobicContact CE2-CB 4.33Å; F232-I262 HydrophobicContact CE2-CD1 4.04Å; F232-I262 HydrophobicContact CE2-CG2 4.25Å; F232-I262 HydrophobicContact CZ-CB 3.86Å; F232-I262 HydrophobicContact CZ-CD1 4.44Å; F232-I262 HydrophobicContact CZ-CG2 3.72Å; L244-I262 HydrophobicContact CD2-CG2 4.11Å; T258-I262 HydrophobicContact CG2-CD1 4.13Å; T258-I262 HydrophobicContact CG2-CG1 4.46Å; T258-I262 VanDerWaalsContact O-CG1 3.26Å; T258-I262 WeakPolarHBondContact O-CG1 3.44Å; T258-I262 PolarHBondContact O-N 2.89Å; R259-I262 PolarHBondContact O-N 3.27Å; Q260-I262 VanDerWaalsContact C-N 3.3Å; Q260-I262 PolarHBondContact O-N 3.03Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.35Å; I262-L265 PolarHBondContact O-N 3.07Å; I262-A266 VanDerWaalsContact O-CB 3.32Å; I262-A266 WeakPolarHBondContact O-CB 3.37Å; I262-A266 PolarHBondContact O-N 2.8Å; I262-F297 HydrophobicContact CD1-CE2 4.08Å; I262-V305 HydrophobicContact CD1-CG2 4.19Å; I262-I332 HydrophobicContact CD1-CG2 3.96Å; I262-I332 HydrophobicContact CG1-CG2 3.62Å; I262-I332 HydrophobicContact CG2-CD1 3.85Å; I262-L336 HydrophobicContact CG1-CD1 4.43Å
263L98.8Very high98.3Very high0 Ų042.5 Ų42.50%020%0.202CC..Hα-helixtrans-60.9-43.7175.5-69.9171.5000111.4F232 T246 R259 Q260 A266 R267 V274 E276F232-L263 HydrophobicContact CE1-CD2 3.98Å; F232-L263 HydrophobicContact CE1-CG 4.15Å; F232-L263 HydrophobicContact CZ-CG 4.3Å; T246-L263 HydrophobicContact CG2-CD1 4.2Å; T246-L263 HydrophobicContact CG2-CD2 3.91Å; T246-L263 HydrophobicContact CG2-CG 4.43Å; R259-L263 HydrophobicContact CG-CD1 4.37Å; R259-L263 WeakPolarHBondContact O-CG 3.31Å; R259-L263 PolarHBondContact O-N 3.47Å; R259-L263 VanDerWaalsContact O-N 3.08Å; Q260-L263 PolarHBondContact O-N 3.47Å; L263-A266 PolarHBondContact O-N 2.61Å; L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.4Å; L263-R267 WeakPolarHBondContact O-CD 3.38Å; L263-R267 WeakPolarHBondContact O-CG 3.07Å; L263-R267 PolarHBondContact O-N 3.06Å; L263-V274 HydrophobicContact CD2-CG1 3.5Å; L263-E276 HydrophobicContact CD1-CG 4.01Å; L263-E276 HydrophobicContact CD2-CG 4.38Å
264D98.6Very high98.3Very high42 Ų4243.5 Ų43.523%0.22521%0.209CC..Hα-helixtrans-62.3-44.4178.3-64.1-15.7000111.5R84 Q260 S261 I262 K268 W348R84-D264 IonicContact CZ-OD2 3.83Å; R84-D264 VanDerWaalsContact CZ-OD2 3.29Å; R84-D264 IonicContact NH1-OD2 2.78Å; R84-D264 PolarHBondContact NH1-OD2 3.48Å; R84-D264 IonicContact NH2-OD2 3.71Å; R84-D264 PolarHBondContact NH2-OD2 3.43Å; Q260-D264 PolarHBondContact NE2-OD1 3.26Å; Q260-D264 PolarHBondContact O-N 3.24Å; S261-D264 PolarHBondContact O-N 3.46Å; I262-D264 VanDerWaalsContact C-N 3.33Å; I262-D264 PolarHBondContact O-N 3.35Å; D264-K268 VanDerWaalsContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CB 3.33Å; D264-K268 PolarHBondContact O-N 3.4Å; D264-W348 HydrophobicContact CB-CH2 3.82Å; D264-W348 HydrophobicContact CB-CZ2 3.61Å
265L98.3Very high98.3Very high6 Ų646.1 Ų46.13%0.03122%0.222CC..Hα-helixtrans-64.1-50.3176.2-75.2178.4000112S261 I262 R267 K268 W269 E335 L336 W348S261-L265 WeakPolarHBondContact O-CB 3.32Å; S261-L265 WeakPolarHBondContact O-CG 3.15Å; S261-L265 PolarHBondContact O-N 3.1Å; I262-L265 PolarHBondContact O-N 3.07Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 3.39Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 3.44Å; L265-K268 VanDerWaalsContact O-N 3.11Å; L265-W269 HydrophobicContact CB-CH2 4.26Å; L265-W269 HydrophobicContact CB-CZ2 4.17Å; L265-W269 HydrophobicContact CD1-CZ2 4.44Å; L265-W269 PolarHBondContact O-N 3.06Å; L265-E335 HydrophobicContact CD1-CB 4.12Å; L265-E335 HydrophobicContact CD1-CG 3.82Å; L265-E335 HydrophobicContact CD2-CG 3.85Å; L265-E335 HydrophobicContact CG-CG 4.5Å; L265-L336 HydrophobicContact CD1-CD2 3.94Å; L265-L336 HydrophobicContact CD1-CG 4.19Å; L265-W348 HydrophobicContact CD1-CZ3 4.41Å; L265-W348 HydrophobicContact CD2-CH2 3.97Å; L265-W348 HydrophobicContact CD2-CZ3 4.14Å; L265-W348 HydrophobicContact CG-CH2 3.81Å; L265-W348 HydrophobicContact CG-CZ3 4Å
266A98.3Very high98.3Very high0 Ų047.2 Ų47.20%022%0.223CC..Hα-helixtrans-62.3-41.9-177.200000111.6L244 I262 L263 K268 W269 D270 F272 V274L244-A266 HydrophobicContact CD2-CB 3.71Å; I262-A266 VanDerWaalsContact O-CB 3.32Å; I262-A266 WeakPolarHBondContact O-CB 3.37Å; I262-A266 PolarHBondContact O-N 2.8Å; L263-A266 PolarHBondContact O-N 2.61Å; A266-K268 VanDerWaalsContact C-N 3.32Å; A266-K268 PolarHBondContact O-N 3.08Å; A266-W269 PolarHBondContact O-N 2.78Å; A266-D270 PolarHBondContact O-N 2.98Å; A266-F272 HydrophobicContact CB-CE2 4.09Å; A266-F272 HydrophobicContact CB-CZ 4.34Å; A266-V274 HydrophobicContact CB-CG1 4.3Å; A266-V274 HydrophobicContact CB-CG2 3.64Å
267R98.6Very high98.3Very high104 Ų10449.8 Ų49.839%0.39223%0.23SC..Hα-helixtrans-65-35.2174.4-72.1169.2-179.9158.91.4112.4L263 L265 D270 V274 E276L263-R267 VanDerWaalsContact O-CB 3.28Å; L263-R267 WeakPolarHBondContact O-CB 3.4Å; L263-R267 WeakPolarHBondContact O-CD 3.38Å; L263-R267 WeakPolarHBondContact O-CG 3.07Å; L263-R267 PolarHBondContact O-N 3.06Å; L265-R267 VanDerWaalsContact C-N 3.34Å; L265-R267 PolarHBondContact O-N 3.39Å; R267-D270 PolarHBondContact O-N 2.86Å; R267-V274 HydrophobicContact CG-CB 3.91Å; R267-V274 HydrophobicContact CG-CG1 3.96Å; R267-V274 HydrophobicContact CG-CG2 4.24Å; R267-E276 IonicContact CZ-OE1 3.76Å; R267-E276 IonicContact NH1-OE1 2.75Å; R267-E276 IonicContact NH2-OE1 2.98Å; R267-E276 PolarHBondContact NH2-OE1 3.32Å
268K97.9Very high98.3Very high167 Ų16753.8 Ų53.873%0.72624%0.244SC*.Hα-helixtrans-69.1-35.3176.4-179.3-178.3176.7-173.60112.3D264 L265 A266D264-K268 VanDerWaalsContact O-CB 3.28Å; D264-K268 WeakPolarHBondContact O-CB 3.33Å; D264-K268 PolarHBondContact O-N 3.4Å; L265-K268 WeakPolarHBondContact O-CB 3.34Å; L265-K268 PolarHBondContact O-N 3.44Å; L265-K268 VanDerWaalsContact O-N 3.11Å; A266-K268 VanDerWaalsContact C-N 3.32Å; A266-K268 PolarHBondContact O-N 3.08Å
269W98.1Very high98.4Very high47 Ų4753.4 Ų53.418%0.17824%0.242CC..Hα-helixtrans-69.2-35.9176.2-64.1-29.7000111.9L265 A266 E271 L328 R331 I332 E335L265-W269 HydrophobicContact CB-CH2 4.26Å; L265-W269 HydrophobicContact CB-CZ2 4.17Å; L265-W269 HydrophobicContact CD1-CZ2 4.44Å; L265-W269 PolarHBondContact O-N 3.06Å; A266-W269 PolarHBondContact O-N 2.78Å; W269-E271 HydrophobicContact CB-CG 4.21Å; W269-E271 PolarHBondContact O-N 2.93Å; W269-L328 HydrophobicContact CE3-CD1 4.28Å; W269-L328 HydrophobicContact CZ3-CD1 3.7Å; W269-R331 VanDerWaalsContact CD1-NH2 3.34Å; W269-R331 VanDerWaalsContact CG-NH2 3.29Å; W269-R331 HydrophobicContact CH2-CG 3.77Å; W269-R331 HydrophobicContact CZ2-CG 4.09Å; W269-R331 HydrophobicContact CZ3-CG 4.35Å; W269-I332 HydrophobicContact CH2-CG1 3.81Å; W269-I332 HydrophobicContact CZ3-CG1 3.88Å; W269-E335 HydrophobicContact CZ2-CB 4.38Å; W269-E335 HydrophobicContact CZ2-CG 4.28Å
270D97.8Very high98.4Very high139 Ų13954.3 Ų54.374%0.74325%0.248SC*.THydrogen-bonded Turntrans55.735.9175.5-161.336.4000113.3A266 R267A266-D270 PolarHBondContact O-N 2.98Å; R267-D270 PolarHBondContact O-N 2.86Å
271E97.9Very high98.4Very high113 Ų11351.6 Ų51.653%0.52824%0.235SC..SBendtrans-96-17.7-177.1-68.6167.8-155.700112.7W269 R331W269-E271 HydrophobicContact CB-CG 4.21Å; W269-E271 PolarHBondContact O-N 2.93Å; E271-R331 VanDerWaalsContact CD-NH1 3.28Å; E271-R331 IonicContact OE1-CZ 2.72Å; E271-R331 IonicContact OE1-NH1 3.09Å; E271-R331 PolarHBondContact OE1-NH1 3.15Å; E271-R331 IonicContact OE1-NH2 3.3Å; E271-R331 PolarHBondContact OE1-NH2 2.88Å; E271-R331 IonicContact OE2-CZ 2.7Å; E271-R331 IonicContact OE2-NH1 2.97Å; E271-R331 PolarHBondContact OE2-NH1 3.39Å; E271-R331 IonicContact OE2-NH2 2.76Å
272F97.8Very high98.4Very high26 Ų2654 Ų5411%0.11426%0.26CS..SBendtrans-158.9167.8-177.646.4-99.4000110.4E242 L244 A266 V274 L328E242-F272 HydrophobicContact CB-CB 4.15Å; E242-F272 HydrophobicContact CG-CB 3.79Å; E242-F272 HydrophobicContact CG-CG 4.45Å; L244-F272 HydrophobicContact CB-CD2 3.94Å; L244-F272 HydrophobicContact CB-CE2 3.54Å; L244-F272 HydrophobicContact CD2-CE2 4.21Å; L244-F272 HydrophobicContact CG-CE2 4.5Å; A266-F272 HydrophobicContact CB-CE2 4.09Å; A266-F272 HydrophobicContact CB-CZ 4.34Å; F272-V274 HydrophobicContact CD2-CG2 4.18Å; F272-V274 HydrophobicContact CE2-CG2 4.07Å; F272-L328 HydrophobicContact CE1-CD1 4.07Å; F272-L328 HydrophobicContact CE1-CD2 4.2Å; F272-L328 HydrophobicContact CE2-CD2 4.07Å; F272-L328 HydrophobicContact CZ-CD1 3.71Å; F272-L328 HydrophobicContact CZ-CD2 3.56Å; F272-L328 HydrophobicContact CZ-CG 4.3Å
273K98.3Very high98.3Very high93 Ų9355.9 Ų55.940%0.40427%0.269SS..EExtended strand (participates in β ladder)trans-66.7137.3179-69.5-174.2175.6-178.60110.9D241 E242 E243 L244D241-K273 HydrophobicContact CB-CD 3.91Å; D241-K273 WeakPolarHBondContact OD2-CE 3.14Å; D241-K273 IonicContact OD2-NZ 3.48Å; D241-K273 PolarHBondContact OD2-NZ 2.88Å; E242-K273 PolarHBondContact O-N 3.19Å; E243-K273 CarbonylContact C-O 3.48Å; E243-K273 VanDerWaalsContact CA-O 3.28Å; E243-K273 WeakPolarHBondContact CA-O 3.35Å; E243-K273 HydrophobicContact CB-CB 4.21Å; E243-K273 HydrophobicContact CG-CB 4.07Å; L244-K273 PolarHBondContact N-O 3.34Å
274V98.7Very high98.3Very high23 Ų2356 Ų5614%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-121.2104.7175.7-175.80000109.3L244 L263 A266 R267 F272L244-V274 WeakPolarHBondContact O-CA 3.39Å; L263-V274 HydrophobicContact CD2-CG1 3.5Å; A266-V274 HydrophobicContact CB-CG1 4.3Å; A266-V274 HydrophobicContact CB-CG2 3.64Å; R267-V274 HydrophobicContact CG-CB 3.91Å; R267-V274 HydrophobicContact CG-CG1 3.96Å; R267-V274 HydrophobicContact CG-CG2 4.24Å; F272-V274 HydrophobicContact CD2-CG2 4.18Å; F272-V274 HydrophobicContact CE2-CG2 4.07Å
275L98.3Very high98.3Very high69 Ų6955.2 Ų55.236%0.36127%0.267SS..EExtended strand (participates in β ladder)trans-120.3137.5-172.2-63.1-174.8000112.8E243 L244 A245 T246 R277E243-L275 HydrophobicContact CG-CB 4.41Å; E243-L275 HydrophobicContact CG-CD1 4.32Å; E243-L275 HydrophobicContact CG-CG 4.28Å; L244-L275 PolarHBondContact O-N 2.97Å; A245-L275 WeakPolarHBondContact CA-O 3.07Å; T246-L275 PolarHBondContact N-O 3.23Å; T246-L275 VanDerWaalsContact N-O 3.08Å; L275-R277 HydrophobicContact CB-CG 4.41Å
276E98.8Very high98.3Very high72 Ų7257 Ų5734%0.33628%0.28SS..EExtended strand (participates in β ladder)trans-95.796.1165.6-65.6178.4-109.200107.3T246 P248 R259 L263 R267T246-E276 HydrophobicContact CG2-CG 4.02Å; T246-E276 CarbonylContact O-C 3.51Å; T246-E276 VanDerWaalsContact O-CA 3.26Å; T246-E276 WeakPolarHBondContact O-CA 3.29Å; P248-E276 HydrophobicContact CB-CB 4.49Å; R259-E276 IonicContact CZ-OE2 3.57Å; R259-E276 VanDerWaalsContact CZ-OE2 3.27Å; R259-E276 IonicContact NH1-OE2 2.69Å; R259-E276 PolarHBondContact NH1-OE2 2.87Å; R259-E276 IonicContact NH2-OE2 3.52Å; R259-E276 PolarHBondContact NH2-OE2 3.43Å; L263-E276 HydrophobicContact CD1-CG 4.01Å; L263-E276 HydrophobicContact CD2-CG 4.38Å; R267-E276 IonicContact CZ-OE1 3.76Å; R267-E276 IonicContact NH1-OE1 2.75Å; R267-E276 IonicContact NH2-OE1 2.98Å; R267-E276 PolarHBondContact NH2-OE1 3.32Å
277R98.4Very high98.3Very high65 Ų6557 Ų5725%0.24528%0.28CS..  trans-140.7156.4-173.872.1-179.5-70.2-172.2-10.2111.7E238 E243 A245 T246 P247 L275 L279E238-R277 IonicContact OE1-NH2 3.1Å; E238-R277 IonicContact OE2-CZ 2.6Å; E238-R277 IonicContact OE2-NH1 3.29Å; E238-R277 IonicContact OE2-NH2 3.72Å; E238-R277 PolarHBondContact OE2-NH2 2.87Å; E238-R277 VanDerWaalsContact OE2-NH2 3.1Å; E243-R277 WeakPolarHBondContact OE1-CD 3.36Å; E243-R277 IonicContact OE1-NH1 3.75Å; E243-R277 IonicContact OE2-NH1 3.65Å; E243-R277 PolarHBondContact OE2-NH1 3.05Å; A245-R277 HydrophobicContact CB-CG 4.24Å; T246-R277 PolarHBondContact O-N 3.02Å; P247-R277 WeakPolarHBondContact CA-O 3.48Å; L275-R277 HydrophobicContact CB-CG 4.41Å; R277-L279 HydrophobicContact CG-CD2 4.32Å
278Y98.6Very high98.2Very high91 Ų9153.9 Ų53.936%0.35727%0.271SS..  trans-64.2138172.7-65.4-67.5000110.7K183 Q222 P248 D250K183-Y278 PolarHBondContact NZ-OH 2.92Å; Q222-Y278 VanDerWaalsContact OE1-CD1 3.26Å; P248-Y278 HydrophobicContact CG-CD1 3.98Å; P248-Y278 HydrophobicContact CG-CD2 4.41Å; P248-Y278 HydrophobicContact CG-CE1 3.68Å; P248-Y278 HydrophobicContact CG-CE2 4.15Å; P248-Y278 HydrophobicContact CG-CG 4.34Å; D250-Y278 WeakPolarHBondContact OD2-CE1 3.37Å; D250-Y278 PolarHBondContact OD2-OH 3.31Å
279L98.4Very high98.2Very high3 Ų354.6 Ų54.62%0.01627%0.274CS..  trans-125135.4177.1-62.7173.7000107.5Q222 I223 L233 W235 A245 R277Q222-L279 CarbonylContact C-O 3.59Å; Q222-L279 VanDerWaalsContact CA-O 3.25Å; Q222-L279 WeakPolarHBondContact CA-O 3.45Å; I223-L279 HydrophobicContact CB-CB 4.4Å; I223-L279 PolarHBondContact N-O 2.83Å; L233-L279 HydrophobicContact CB-CD1 3.78Å; L233-L279 HydrophobicContact CD2-CD1 4.24Å; L233-L279 HydrophobicContact CD2-CD2 3.99Å; W235-L279 HydrophobicContact CZ2-CD2 4.39Å; A245-L279 HydrophobicContact CB-CD1 4.06Å; A245-L279 HydrophobicContact CB-CD2 3.85Å; A245-L279 HydrophobicContact CB-CG 4.37Å; R277-L279 HydrophobicContact CG-CD2 4.32Å
280T98.7Very high98.2Very high22 Ų2257.7 Ų57.714%0.13529%0.29CS..BIsolated β-bridgetrans-118.4156.2-179.160.80000111.5D220 Q222 G282 Q283 L284D220-T280 HydrophobicContact CB-CG2 4.29Å; D220-T280 WeakPolarHBondContact O-CB 3.46Å; Q222-T280 HydrophobicContact CG-CG2 4.04Å; T280-G282 PolarHBondContact O-N 2.85Å; T280-Q283 PolarHBondContact O-N 2.66Å; T280-Q283 VanDerWaalsContact OG1-CG 3.29Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.42Å; T280-Q283 PolarHBondContact OG1-N 2.73Å; T280-Q283 VanDerWaalsContact OG1-N 3.15Å; T280-Q283 PolarHBondContact OG1-OE1 2.8Å; T280-L284 PolarHBondContact O-N 2.91Å
281M98.6Very high98.2Very high1 Ų159.5 Ų59.51%0.00530%0.295CS..Hα-helixtrans-58.8-31.7171-74-55.5-60.800112.4L214 L216 H221 I223 L284 C285 I311 Y313 L318L214-M281 HydrophobicContact CD2-SD 3.81Å; L216-M281 HydrophobicContact CD1-CG 4.17Å; L216-M281 HydrophobicContact CD2-CG 3.6Å; L216-M281 HydrophobicContact CD2-SD 4.06Å; H221-M281 HydrophobicContact CB-CB 4.18Å; H221-M281 HydrophobicContact CB-CG 4.2Å; H221-M281 PolarHBondContact O-N 3.01Å; I223-M281 HydrophobicContact CD1-SD 3.82Å; I223-M281 HydrophobicContact CG1-CG 4.29Å; I223-M281 HydrophobicContact CG1-SD 3.82Å; M281-L284 HydrophobicContact CE-CD2 4.19Å; M281-L284 PolarHBondContact O-N 3.17Å; M281-L284 HydrophobicContact SD-CD2 4.11Å; M281-C285 VanDerWaalsContact O-CB 3.29Å; M281-C285 WeakPolarHBondContact O-CB 3.46Å; M281-C285 PolarHBondContact O-N 2.84Å; M281-C285 PolarHBondContact O-SG 3.28Å; M281-I311 HydrophobicContact CE-CG2 4.21Å; M281-Y313 HydrophobicContact CB-CE1 4.24Å; M281-Y313 HydrophobicContact CB-CE2 4.26Å; M281-Y313 HydrophobicContact CE-CD1 3.77Å; M281-Y313 HydrophobicContact CE-CD2 3.91Å; M281-Y313 HydrophobicContact CE-CE1 4.39Å; M281-Y313 HydrophobicContact CE-CE2 4.5Å; M281-Y313 HydrophobicContact CE-CG 3.52Å; M281-Y313 HydrophobicContact CG-CD2 4.2Å; M281-Y313 HydrophobicContact CG-CE2 3.99Å; M281-L318 HydrophobicContact CE-CD1 3.88Å
282G98.2Very high98.1Very high50 Ų5055.9 Ų55.952%0.51528%0.276SS..Hα-helixtrans-61.9-47.917400000112.7T280 C285 S286T280-G282 PolarHBondContact O-N 2.85Å; G282-C285 PolarHBondContact O-N 3.29Å; G282-S286 WeakPolarHBondContact O-CB 3.32Å; G282-S286 PolarHBondContact O-N 2.8Å
283Q98.3Very high98.1Very high41 Ų4155.2 Ų55.219%0.19227%0.273CS..Hα-helixtrans-62.3-44.9176.1-74.1165.4-56.500111.8W235 E238 T280 S286 A287W235-Q283 HydrophobicContact CH2-CB 4.18Å; W235-Q283 HydrophobicContact CZ3-CB 4.4Å; E238-Q283 WeakPolarHBondContact OE1-CG 3.27Å; E238-Q283 PolarHBondContact OE1-NE2 2.89Å; T280-Q283 PolarHBondContact O-N 2.66Å; T280-Q283 VanDerWaalsContact OG1-CG 3.29Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.42Å; T280-Q283 PolarHBondContact OG1-N 2.73Å; T280-Q283 VanDerWaalsContact OG1-N 3.15Å; T280-Q283 PolarHBondContact OG1-OE1 2.8Å; Q283-S286 PolarHBondContact O-N 2.85Å; Q283-A287 WeakPolarHBondContact O-CB 3.3Å; Q283-A287 PolarHBondContact O-N 3.43Å
284L98.3Very high98.1Very high1 Ų154.6 Ų54.61%0.00527%0.271CS..Hα-helixtrans-60.8-49178.1179.463000111.6I223 L233 T280 M281 S286 A287 L288 L293 M296 I311I223-L284 HydrophobicContact CD1-CB 4.19Å; I223-L284 HydrophobicContact CD1-CD2 3.88Å; L233-L284 HydrophobicContact CD1-CD1 3.82Å; T280-L284 PolarHBondContact O-N 2.91Å; M281-L284 HydrophobicContact CE-CD2 4.19Å; M281-L284 PolarHBondContact O-N 3.17Å; M281-L284 HydrophobicContact SD-CD2 4.11Å; L284-S286 VanDerWaalsContact C-N 3.3Å; L284-S286 PolarHBondContact O-N 3.25Å; L284-A287 PolarHBondContact O-N 3.45Å; L284-L288 HydrophobicContact CG-CD1 4.31Å; L284-L288 WeakPolarHBondContact O-CG 3.36Å; L284-L288 PolarHBondContact O-N 3.29Å; L284-L293 HydrophobicContact CD1-CD1 4.41Å; L284-L293 HydrophobicContact CD1-CD2 3.87Å; L284-M296 HydrophobicContact CD2-SD 4.33Å; L284-I311 HydrophobicContact CD2-CD1 3.58Å
285C98.2Very high97.9Very high27 Ų2753.9 Ų53.918%0.18227%0.266CS..Hα-helixtrans-59.1-41176.5-73.60000112M281 G282 K289M281-C285 VanDerWaalsContact O-CB 3.29Å; M281-C285 WeakPolarHBondContact O-CB 3.46Å; M281-C285 PolarHBondContact O-N 2.84Å; M281-C285 PolarHBondContact O-SG 3.28Å; G282-C285 PolarHBondContact O-N 3.29Å; C285-K289 WeakPolarHBondContact O-CG 3.39Å; C285-K289 PolarHBondContact O-N 2.85Å
286S98.1Very high97.9Very high44 Ų4450.7 Ų50.731%0.30825%0.249SC..Hα-helixtrans-65.9-42.7176.8-169.90000111.8G282 Q283 L284 K289 Q290G282-S286 WeakPolarHBondContact O-CB 3.32Å; G282-S286 PolarHBondContact O-N 2.8Å; Q283-S286 PolarHBondContact O-N 2.85Å; L284-S286 VanDerWaalsContact C-N 3.3Å; L284-S286 PolarHBondContact O-N 3.25Å; S286-K289 PolarHBondContact O-N 3.33Å; S286-Q290 WeakPolarHBondContact O-CB 3.26Å; S286-Q290 VanDerWaalsContact O-CG 3.28Å; S286-Q290 WeakPolarHBondContact O-CG 3.08Å; S286-Q290 PolarHBondContact O-N 3.43Å; S286-Q290 PolarHBondContact OG-NE2 2.61Å
287A98Very high97.8Very high0 Ų047.2 Ų47.20%023%0.233CC..Hα-helixtrans-64.7-40.317900000112.4W235 Q283 L284 Q290 Q291 R292W235-A287 HydrophobicContact CE3-CB 3.55Å; W235-A287 HydrophobicContact CZ3-CB 3.77Å; Q283-A287 WeakPolarHBondContact O-CB 3.3Å; Q283-A287 PolarHBondContact O-N 3.43Å; L284-A287 PolarHBondContact O-N 3.45Å; A287-Q290 CarbonylContact O-C 3.46Å; A287-Q290 PolarHBondContact O-N 2.73Å; A287-Q291 PolarHBondContact O-N 2.59Å; A287-R292 HydrophobicContact CB-CB 4.25Å; A287-R292 PolarHBondContact O-N 2.84Å
288L97.6Very high97.7Very high38 Ų3844.1 Ų44.120%0.19922%0.221CC..Hα-helixtrans-60.2-49.3174-78.3169.6000111.6L284 Q290 Q291 L293 L318L284-L288 HydrophobicContact CG-CD1 4.31Å; L284-L288 WeakPolarHBondContact O-CG 3.36Å; L284-L288 PolarHBondContact O-N 3.29Å; L288-Q290 PolarHBondContact O-N 2.9Å; L288-Q291 PolarHBondContact O-N 3.41Å; L288-Q291 VanDerWaalsContact O-N 3.14Å; L288-L293 HydrophobicContact CD2-CB 4.26Å; L288-L293 HydrophobicContact CD2-CD2 3.49Å; L288-L293 VanDerWaalsContact CD2-CD2 3.49Å; L288-L293 HydrophobicContact CD2-CG 4.48Å; L288-L293 HydrophobicContact CG-CD2 4Å; L288-L318 HydrophobicContact CD1-CB 4.12Å; L288-L318 HydrophobicContact CD1-CD1 4.43Å
289K97.3Very high97.6Very high181 Ų18139.8 Ų39.879%0.78720%0.204SC*.Hα-helixtrans-60.8-34.9178-72.2174.6-176.4177.40112.8C285 S286 Q291C285-K289 WeakPolarHBondContact O-CG 3.39Å; C285-K289 PolarHBondContact O-N 2.85Å; S286-K289 PolarHBondContact O-N 3.33Å; K289-Q291 VanDerWaalsContact C-N 3.34Å
290Q97.8Very high97.3Very high112 Ų11240.2 Ų40.252%0.52321%0.21SC..THydrogen-bonded Turntrans-90.74.2-178.9-66.51680.700113.1S286 A287 L288 R292S286-Q290 WeakPolarHBondContact O-CB 3.26Å; S286-Q290 VanDerWaalsContact O-CG 3.28Å; S286-Q290 WeakPolarHBondContact O-CG 3.08Å; S286-Q290 PolarHBondContact O-N 3.43Å; S286-Q290 PolarHBondContact OG-NE2 2.61Å; A287-Q290 CarbonylContact O-C 3.46Å; A287-Q290 PolarHBondContact O-N 2.73Å; L288-Q290 PolarHBondContact O-N 2.9Å; Q290-R292 HydrophobicContact CB-CG 4.12Å; Q290-R292 PolarHBondContact O-N 2.89Å; Q290-R292 VanDerWaalsContact OE1-CZ 3.26Å
291Q97.1Very high96.8Very high178 Ų17840.7 Ų40.783%0.83221%0.212SC*.THydrogen-bonded Turntrans54.533.7-177.7-55.1179.711.200113.5A287 L288 K289A287-Q291 PolarHBondContact O-N 2.59Å; L288-Q291 PolarHBondContact O-N 3.41Å; L288-Q291 VanDerWaalsContact O-N 3.14Å; K289-Q291 VanDerWaalsContact C-N 3.34Å
292R97.7Very high95.9Very high36 Ų3641.5 Ų41.514%0.13622%0.219CC..  trans-92-19.1177.7-72.8-168.8-66.8103.7-4.5113.8W235 I236 A287 Q290W235-R292 CarbonylContact C-O 3.53Å; W235-R292 WeakPolarHBondContact CA-O 3.39Å; W235-R292 WeakPolarHBondContact CB-O 3.48Å; W235-R292 VanDerWaalsContact CE3-NH1 3.28Å; I236-R292 HydrophobicContact CB-CB 4.16Å; I236-R292 HydrophobicContact CB-CG 4.21Å; I236-R292 PolarHBondContact N-O 3.05Å; I236-R292 WeakPolarHBondContact O-CB 3.38Å; I236-R292 WeakPolarHBondContact O-CD 3.47Å; I236-R292 PolarHBondContact O-NH1 3.13Å; A287-R292 HydrophobicContact CB-CB 4.25Å; A287-R292 PolarHBondContact O-N 2.84Å; Q290-R292 HydrophobicContact CB-CG 4.12Å; Q290-R292 PolarHBondContact O-N 2.89Å; Q290-R292 VanDerWaalsContact OE1-CZ 3.26Å
293L97.6Very high94.9Very high12 Ų1240 Ų406%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-72.4129.3176.8-17760.7000109.8L233 W235 L284 L288 L320 P321L233-L293 HydrophobicContact CD1-CD1 3.32Å; L233-L293 HydrophobicContact CG-CD1 3.95Å; W235-L293 HydrophobicContact CB-CD1 4.25Å; L284-L293 HydrophobicContact CD1-CD1 4.41Å; L284-L293 HydrophobicContact CD1-CD2 3.87Å; L288-L293 HydrophobicContact CD2-CB 4.26Å; L288-L293 HydrophobicContact CD2-CD2 3.49Å; L288-L293 VanDerWaalsContact CD2-CD2 3.49Å; L288-L293 HydrophobicContact CD2-CG 4.48Å; L288-L293 HydrophobicContact CG-CD2 4Å; L293-L320 HydrophobicContact CD2-CB 4.42Å; L293-L320 HydrophobicContact CD2-CD2 4Å; L293-L320 HydrophobicContact CD2-CG 4.02Å; L293-P321 HydrophobicContact CB-CG 4.39Å; L293-P321 HydrophobicContact CD2-CG 4.44Å; L293-P321 HydrophobicContact CG-CG 4.2Å; L293-P321 WeakPolarHBondContact O-CG 3.42Å
294K96.4Very high94.2Very high81 Ų8140.9 Ų40.935%0.35220%0.202SC..EExtended strand (participates in β ladder)trans-97.5-51.2172.8-61.4-171.7178.1-165.30111.1H234 E242 P321H234-K294 WeakPolarHBondContact O-CA 3.44Å; H234-K294 WeakPolarHBondContact O-CB 3.49Å; H234-K294 PolarHBondContact O-N 3.34Å; E242-K294 IonicContact OE1-NZ 3.75Å; E242-K294 PolarHBondContact OE1-NZ 3.27Å; E242-K294 IonicContact OE2-NZ 3.86Å; E242-K294 PolarHBondContact OE2-NZ 3.1Å; K294-P321 WeakPolarHBondContact O-CB 3.28Å
295E95.9Very high93.9Very high8 Ų842 Ų424%0.03721%0.209CC..EExtended strand (participates in β ladder)trans-159.3160.7176.957.4178.7-118.100111.7H234 F297 S327 L328 S329H234-E295 HydrophobicContact CB-CG 3.61Å; H234-E295 PolarHBondContact N-O 2.97Å; H234-E295 PolarHBondContact O-N 3.41Å; H234-E295 VanDerWaalsContact O-N 3.09Å; E295-F297 HydrophobicContact CG-CD1 4.33Å; E295-F297 HydrophobicContact CG-CE1 4.44Å; E295-F297 VanDerWaalsContact OE1-CD1 3.31Å; E295-F297 WeakPolarHBondContact OE1-CD1 3.03Å; E295-F297 WeakPolarHBondContact OE1-CE1 3.49Å; E295-S327 WeakPolarHBondContact OE2-CA 3.23Å; E295-S327 WeakPolarHBondContact OE2-CB 3.2Å; E295-L328 WeakPolarHBondContact OE1-CB 3.34Å; E295-L328 PolarHBondContact OE2-N 3.36Å; E295-S329 WeakPolarHBondContact OE1-CA 3.43Å; E295-S329 VanDerWaalsContact OE1-CB 3.22Å; E295-S329 WeakPolarHBondContact OE1-CB 3.13Å; E295-S329 PolarHBondContact OE1-N 2.8Å; E295-S329 PolarHBondContact OE1-OG 3.45Å
296M97.3Very high93.6Very high1 Ų141.4 Ų41.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-136.5137.3170.8-168.4-176.217500108.8L214 I223 I231 F232 L233 L284 I308 I311 L320L214-M296 HydrophobicContact CD1-CE 4.01Å; I223-M296 HydrophobicContact CG2-CE 4.21Å; I231-M296 HydrophobicContact CD1-CE 4.2Å; I231-M296 HydrophobicContact CG1-CE 4.47Å; I231-M296 HydrophobicContact CG2-CE 3.4Å; I231-M296 HydrophobicContact CG2-CG 4.39Å; F232-M296 WeakPolarHBondContact O-CA 3.45Å; F232-M296 WeakPolarHBondContact O-CG 3.37Å; L233-M296 HydrophobicContact CD1-CB 4.09Å; L233-M296 HydrophobicContact CD1-CG 3.94Å; L233-M296 HydrophobicContact CD1-SD 4.27Å; L284-M296 HydrophobicContact CD2-SD 4.33Å; M296-I308 HydrophobicContact CB-CB 4.44Å; M296-I308 HydrophobicContact CE-CD1 4.21Å; M296-I308 HydrophobicContact CG-CD1 3.9Å; M296-I308 PolarHBondContact O-N 3.19Å; M296-I308 HydrophobicContact SD-CD1 4.25Å; M296-I311 HydrophobicContact CE-CD1 4.22Å; M296-I311 HydrophobicContact SD-CD1 3.76Å; M296-L320 HydrophobicContact CB-CD2 3.46Å; M296-L320 VanDerWaalsContact CB-CD2 3.46Å; M296-L320 HydrophobicContact CG-CD2 4.2Å; M296-L320 HydrophobicContact SD-CD2 3.7Å
297F96.8Very high93.3Very high0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-149151.4-178.757.4-91.7000112.6F232 L244 I262 E295 V305 C306 I332F232-F297 HydrophobicContact CB-CD1 4.34Å; F232-F297 HydrophobicContact CB-CD2 3.88Å; F232-F297 HydrophobicContact CB-CE1 3.94Å; F232-F297 HydrophobicContact CB-CE2 3.41Å; F232-F297 VanDerWaalsContact CB-CE2 3.41Å; F232-F297 HydrophobicContact CB-CG 4.33Å; F232-F297 HydrophobicContact CB-CZ 3.45Å; F232-F297 VanDerWaalsContact CB-CZ 3.45Å; F232-F297 HydrophobicContact CD1-CE2 4.5Å; F232-F297 HydrophobicContact CD1-CZ 4.46Å; F232-F297 HydrophobicContact CD2-CD2 4.32Å; F232-F297 AromaticContact CD2-CE2 3.79Å; F232-F297 HydrophobicContact CD2-CE2 3.79Å; F232-F297 HydrophobicContact CD2-CZ 4.5Å; F232-F297 HydrophobicContact CG-CD2 4.39Å; F232-F297 AromaticContact CG-CE2 3.66Å; F232-F297 HydrophobicContact CG-CE2 3.66Å; F232-F297 AromaticContact CG-CZ 3.92Å; F232-F297 HydrophobicContact CG-CZ 3.92Å; F232-F297 PolarHBondContact N-O 3.1Å; F232-F297 PolarHBondContact O-N 3.32Å; F232-F297 VanDerWaalsContact O-N 3.09Å; L244-F297 HydrophobicContact CD1-CE1 4.19Å; L244-F297 HydrophobicContact CD1-CZ 3.99Å; I262-F297 HydrophobicContact CD1-CE2 4.08Å; E295-F297 HydrophobicContact CG-CD1 4.33Å; E295-F297 HydrophobicContact CG-CE1 4.44Å; E295-F297 VanDerWaalsContact OE1-CD1 3.31Å; E295-F297 WeakPolarHBondContact OE1-CD1 3.03Å; E295-F297 WeakPolarHBondContact OE1-CE1 3.49Å; F297-V305 HydrophobicContact CB-CG1 4.24Å; F297-V305 HydrophobicContact CD2-CG1 3.76Å; F297-V305 HydrophobicContact CE2-CG1 4.37Å; F297-V305 HydrophobicContact CG-CG1 4.11Å; F297-C306 CarbonylContact C-O 3.57Å; F297-C306 VanDerWaalsContact CA-O 3.23Å; F297-C306 WeakPolarHBondContact CA-O 2.85Å; F297-C306 WeakPolarHBondContact CB-O 3.07Å; F297-I332 HydrophobicContact CE2-CD1 4.34Å; F297-I332 HydrophobicContact CZ-CD1 3.83Å
298G96.4Very high93.2Very high0 Ų039.8 Ų39.80%019%0.193CC..EExtended strand (participates in β ladder)trans-88151.7169.100000111.6N230 V305 C306N230-G298 CarbonylContact O-C 3.5Å; N230-G298 VanDerWaalsContact O-CA 3.28Å; N230-G298 WeakPolarHBondContact O-CA 3.39Å; G298-V305 WeakPolarHBondContact O-CA 3.4Å; G298-C306 PolarHBondContact N-O 3.01Å; G298-C306 PolarHBondContact O-N 3.01Å
299S96.4Very high93.1Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-132.7140.8172.272.10000112.8M229 N230 F232 R304M229-S299 CarbonylContact C-O 3.48Å; M229-S299 VanDerWaalsContact CA-O 3.27Å; M229-S299 WeakPolarHBondContact CA-O 3.23Å; M229-S299 WeakPolarHBondContact CB-O 3.43Å; N230-S299 PolarHBondContact N-O 2.85Å; N230-S299 PolarHBondContact O-N 2.81Å; F232-S299 WeakPolarHBondContact CE2-OG 3.31Å; S299-R304 VanDerWaalsContact CA-O 3.22Å; S299-R304 WeakPolarHBondContact CA-O 3.47Å
300G92.6Very high93.1Very high12 Ų1230.4 Ų30.412%0.12415%0.153CC..EExtended strand (participates in β ladder)trans179.6162.4177.300000112.9A302 C303 R304G300-A302 VanDerWaalsContact C-N 3.28Å; G300-A302 PolarHBondContact O-N 3.07Å; G300-C303 PolarHBondContact O-N 3.42Å; G300-R304 PolarHBondContact N-O 2.92Å; G300-R304 WeakPolarHBondContact O-CA 3.31Å; G300-R304 PolarHBondContact O-N 3.18Å
301T87.6Confident93.1Very high31 Ų3125 Ų2519%0.1913%0.128CC..THydrogen-bonded Turntrans-57.5-41.4-176.5-53.40000112.2G69 K71 Y133G69-T301 WeakPolarHBondContact O-CG2 3.43Å; G69-T301 PolarHBondContact O-OG1 2.76Å; G69-T301 VanDerWaalsContact O-OG1 3.08Å; K71-T301 HydrophobicContact CD-CG2 3.93Å; K71-T301 WeakPolarHBondContact CD-O 3.47Å; K71-T301 WeakPolarHBondContact CE-O 3.24Å; K71-T301 HydrophobicContact CG-CG2 3.86Å; K71-T301 PolarHBondContact NZ-O 3.43Å; Y133-T301 HydrophobicContact CD2-CG2 4.39Å; Y133-T301 HydrophobicContact CE2-CG2 4Å
302A80.8Confident93.2Very high19 Ų1917.5 Ų17.516%0.1579%0.094CC..THydrogen-bonded Turntrans-63.3-49.4-17500000112K71 Y165 G300K71-A302 PolarHBondContact NZ-O 2.68Å; Y165-A302 HydrophobicContact CD1-CB 4.33Å; Y165-A302 HydrophobicContact CD2-CB 3.74Å; Y165-A302 HydrophobicContact CE1-CB 4.4Å; Y165-A302 HydrophobicContact CE2-CB 3.8Å; Y165-A302 HydrophobicContact CG-CB 4.02Å; G300-A302 VanDerWaalsContact C-N 3.28Å; G300-A302 PolarHBondContact O-N 3.07Å
303C77.1Confident93.2Very high18 Ų1816.7 Ų16.712%0.1229%0.091CC..THydrogen-bonded Turntrans-106.7-6.9-171.799.50000114.5Y165 F166 M229 G300 V305 C306Y165-C303 HydrophobicContact CD1-CB 3.85Å; Y165-C303 HydrophobicContact CG-CB 4.26Å; F166-C303 HydrophobicContact CD2-CB 3.86Å; F166-C303 HydrophobicContact CE2-CB 4.1Å; M229-C303 HydrophobicContact SD-CB 4.5Å; M229-C303 PolarHBondContact SD-SG 3.41Å; G300-C303 PolarHBondContact O-N 3.42Å; C303-V305 PolarHBondContact O-N 2.86Å; C303-C306 HydrophobicContact CB-CB 4.47Å; C303-C306 WeakPolarHBondContact CB-SG 3.31Å; C303-C306 WeakPolarHBondContact SG-CB 3.34Å; C303-C306 CovalentContact SG-SG 2.04Å; C303-C306 PolarHBondContact SG-SG 2.97Å
304R84.1Confident93Very high60 Ų6021.4 Ų21.423%0.22611%0.113CC..EExtended strand (participates in β ladder)trans62.3-88.8-170.1-60.1-179.6-67.2177.66112.2S299 G300 T337S299-R304 VanDerWaalsContact CA-O 3.22Å; S299-R304 WeakPolarHBondContact CA-O 3.47Å; G300-R304 PolarHBondContact N-O 2.92Å; G300-R304 WeakPolarHBondContact O-CA 3.31Å; G300-R304 PolarHBondContact O-N 3.18Å; R304-T337 PolarHBondContact NH1-OG1 3.17Å
305V91.3Very high92.7Very high25 Ų2526.4 Ų26.415%0.15214%0.137CC..EExtended strand (participates in β ladder)trans-130.2128179.5178.40000107.2I262 F297 G298 C303 I332 A333 L336I262-V305 HydrophobicContact CD1-CG2 4.19Å; F297-V305 HydrophobicContact CB-CG1 4.24Å; F297-V305 HydrophobicContact CD2-CG1 3.76Å; F297-V305 HydrophobicContact CE2-CG1 4.37Å; F297-V305 HydrophobicContact CG-CG1 4.11Å; G298-V305 WeakPolarHBondContact O-CA 3.4Å; C303-V305 PolarHBondContact O-N 2.86Å; V305-I332 HydrophobicContact CG2-CG2 3.75Å; V305-A333 HydrophobicContact CB-CB 4.31Å; V305-A333 HydrophobicContact CG2-CB 4.44Å; V305-L336 HydrophobicContact CG2-CD1 4.46Å
306C90.9Very high92.7Very high14 Ų1432.1 Ų32.110%0.09516%0.162CC..EExtended strand (participates in β ladder)trans-132.3113.1-171.9-69.10000110.5F166 L170 M229 F297 G298 C303F166-C306 HydrophobicContact CD2-CB 4.41Å; L170-C306 HydrophobicContact CD1-CB 3.79Å; M229-C306 HydrophobicContact SD-CB 4Å; F297-C306 CarbonylContact C-O 3.57Å; F297-C306 VanDerWaalsContact CA-O 3.23Å; F297-C306 WeakPolarHBondContact CA-O 2.85Å; F297-C306 WeakPolarHBondContact CB-O 3.07Å; G298-C306 PolarHBondContact N-O 3.01Å; G298-C306 PolarHBondContact O-N 3.01Å; C303-C306 HydrophobicContact CB-CB 4.47Å; C303-C306 WeakPolarHBondContact CB-SG 3.31Å; C303-C306 WeakPolarHBondContact SG-CB 3.34Å; C303-C306 CovalentContact SG-SG 2.04Å; C303-C306 PolarHBondContact SG-SG 2.97Å
307H92.6Very high92.7Very high10 Ų1036.6 Ų36.65%0.04619%0.186CC..EExtended strand (participates in β ladder)trans-65.2141.4-180-170-90.1000111.6E169 L170 P321E169-H307 IonicContact OE1-CE1 3.97Å; E169-H307 PolarHBondContact OE1-CE1 3.33Å; E169-H307 IonicContact OE1-ND1 2.81Å; E169-H307 PolarHBondContact OE1-ND1 2.83Å; L170-H307 WeakPolarHBondContact CB-O 3.45Å; L170-H307 PolarHBondContact N-O 2.88Å; H307-P321 PolarHBondContact CE1-O 2.94Å; H307-P321 VanDerWaalsContact CE1-O 3.26Å; H307-P321 PolarHBondContact NE2-O 3.48Å
308I95.6Very high92.7Very high0 Ų038.1 Ų38.10%019%0.194CC..EExtended strand (participates in β ladder)trans-110.1112.8175.7-62.6158.1000108.3L170 L172 I231 M296 I311 L320L170-I308 WeakPolarHBondContact O-CA 3.3Å; L172-I308 HydrophobicContact CD1-CD1 3.63Å; L172-I308 HydrophobicContact CD1-CG1 3.91Å; L172-I308 HydrophobicContact CD1-CG2 3.86Å; L172-I308 HydrophobicContact CG-CG1 4.29Å; L172-I308 HydrophobicContact CG-CG2 3.86Å; I231-I308 HydrophobicContact CD1-CD1 3.44Å; I231-I308 VanDerWaalsContact CD1-CD1 3.44Å; M296-I308 HydrophobicContact CB-CB 4.44Å; M296-I308 HydrophobicContact CE-CD1 4.21Å; M296-I308 HydrophobicContact CG-CD1 3.9Å; M296-I308 PolarHBondContact O-N 3.19Å; M296-I308 HydrophobicContact SD-CD1 4.25Å; I308-I311 HydrophobicContact CG2-CG1 4.09Å; I308-L320 HydrophobicContact CB-CD2 4.48Å; I308-L320 HydrophobicContact CG2-CD2 4.08Å; I308-L320 WeakPolarHBondContact O-CB 3.1Å
309G95.5Very high92.8Very high3 Ų343.7 Ų43.73%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-93.7-25.8-178.600000114.6E169 L170 L320E169-G309 VanDerWaalsContact CG-CA 3.49Å; E169-G309 WeakPolarHBondContact OE1-CA 3.37Å; E169-G309 PolarHBondContact OE1-N 2.75Å; L170-G309 PolarHBondContact O-N 2.98Å; G309-L320 PolarHBondContact O-N 3.35Å
310S97.1Very high92.7Very high18 Ų1844.1 Ų44.113%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-151.4153.2178.555.20000113.4L170 S171 L172 N317 L318L170-S310 PolarHBondContact O-N 2.91Å; S171-S310 CarbonylContact C-O 3.55Å; S171-S310 WeakPolarHBondContact CA-O 3.39Å; S171-S310 WeakPolarHBondContact CB-OG 3.36Å; L172-S310 PolarHBondContact N-O 2.9Å; S310-N317 WeakPolarHBondContact CB-OD1 3.45Å; S310-L318 CarbonylContact C-O 3.53Å; S310-L318 WeakPolarHBondContact CA-O 3.3Å; S310-L318 WeakPolarHBondContact CB-O 3.15Å
311I98.4Very high92.7Very high0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-130.5123.5173.5-62163.9000108.4L172 A174 L214 M281 L284 M296 I308 L318 L320L172-I311 HydrophobicContact CB-CG1 4.26Å; L172-I311 CarbonylContact O-C 3.6Å; L172-I311 VanDerWaalsContact O-CA 3.26Å; L172-I311 WeakPolarHBondContact O-CA 3.39Å; A174-I311 HydrophobicContact CB-CG2 3.81Å; L214-I311 HydrophobicContact CD2-CD1 3.95Å; L214-I311 HydrophobicContact CD2-CG1 4.4Å; L214-I311 HydrophobicContact CD2-CG2 4.02Å; M281-I311 HydrophobicContact CE-CG2 4.21Å; L284-I311 HydrophobicContact CD2-CD1 3.58Å; M296-I311 HydrophobicContact CE-CD1 4.22Å; M296-I311 HydrophobicContact SD-CD1 3.76Å; I308-I311 HydrophobicContact CG2-CG1 4.09Å; I311-L318 HydrophobicContact CB-CB 4.42Å; I311-L318 PolarHBondContact N-O 3.17Å; I311-L318 WeakPolarHBondContact O-CB 3.32Å; I311-L318 PolarHBondContact O-N 3.47Å; I311-L320 HydrophobicContact CB-CD1 4.36Å; I311-L320 HydrophobicContact CD1-CD1 3.94Å; I311-L320 HydrophobicContact CD1-CD2 4.22Å; I311-L320 HydrophobicContact CG1-CD1 3.86Å
312V98.4Very high92.3Very high19 Ų1950.4 Ų50.412%0.11526%0.255CS..EExtended strand (participates in β ladder)trans-88.2114.7168.6177.60000108.2L172 A174 Y208 C210 K316L172-V312 PolarHBondContact O-N 2.78Å; A174-V312 PolarHBondContact N-O 2.9Å; Y208-V312 HydrophobicContact CD1-CG1 4.34Å; C210-V312 VanDerWaalsContact SG-CG2 3.56Å; V312-K316 WeakPolarHBondContact CA-O 3.27Å
313Y98.3Very high92Very high20 Ų2054.2 Ų54.28%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-141.2128.5-177.6174.9-108000110A174 L216 H221 M281 E315 K316A174-Y313 HydrophobicContact CB-CD2 3.91Å; A174-Y313 HydrophobicContact CB-CG 4.49Å; A174-Y313 WeakPolarHBondContact O-CD2 3.48Å; L216-Y313 HydrophobicContact CD1-CD2 4.13Å; L216-Y313 HydrophobicContact CD1-CE2 3.85Å; H221-Y313 PolarHBondContact CE1-OH 3.29Å; H221-Y313 AromaticContact ND1-CE2 3.8Å; H221-Y313 AromaticContact ND1-CZ 3.67Å; H221-Y313 PolarHBondContact ND1-OH 2.89Å; M281-Y313 HydrophobicContact CB-CE1 4.24Å; M281-Y313 HydrophobicContact CB-CE2 4.26Å; M281-Y313 HydrophobicContact CE-CD1 3.77Å; M281-Y313 HydrophobicContact CE-CD2 3.91Å; M281-Y313 HydrophobicContact CE-CE1 4.39Å; M281-Y313 HydrophobicContact CE-CE2 4.5Å; M281-Y313 HydrophobicContact CE-CG 3.52Å; M281-Y313 HydrophobicContact CG-CD2 4.2Å; M281-Y313 HydrophobicContact CG-CE2 3.99Å; Y313-E315 VanDerWaalsContact C-N 3.27Å; Y313-E315 PolarHBondContact O-N 2.86Å; Y313-K316 PolarHBondContact N-O 2.95Å; Y313-K316 WeakPolarHBondContact O-CB 3.35Å; Y313-K316 PolarHBondContact O-N 3.15Å
314E93.9Very high92Very high111 Ų11157.8 Ų57.852%0.51929%0.287SS..THydrogen-bonded Turntrans48.747.9-175.5-65.3175.6-176.800112.6K316E314-K316 PolarHBondContact O-N 2.97Å
315E89.9Confident91.6Very high185 Ų18564 Ų6486%0.86432%0.316SS*.THydrogen-bonded Turntrans61.34.3-177.2-53.8179.7170.600115.2Y313Y313-E315 VanDerWaalsContact C-N 3.27Å; Y313-E315 PolarHBondContact O-N 2.86Å
316K95.4Very high91.2Very high128 Ų12871 Ų7156%0.55735%0.346SS*.EExtended strand (participates in β ladder)trans-98.1133.7175.6-64.4167.5-170.1154.50109.8V312 Y313 E314 L318V312-K316 WeakPolarHBondContact CA-O 3.27Å; Y313-K316 PolarHBondContact N-O 2.95Å; Y313-K316 WeakPolarHBondContact O-CB 3.35Å; Y313-K316 PolarHBondContact O-N 3.15Å; E314-K316 PolarHBondContact O-N 2.97Å; K316-L318 PolarHBondContact O-N 2.94Å
317N97.1Very high91.3Very high96 Ų9670.8 Ų70.851%0.51335%0.345SS..EExtended strand (participates in β ladder)trans-89.1103.4171.3-172.6-2.9000109.6S310 Q319S310-N317 WeakPolarHBondContact CB-OD1 3.45Å; N317-Q319 VanDerWaalsContact CG-NE2 3.29Å; N317-Q319 PolarHBondContact ND2-NE2 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 3Å
318L97.7Very high91.4Very high31 Ų3170.9 Ų70.916%0.16235%0.346CS..EExtended strand (participates in β ladder)trans-82.2115.5174.5-53.1178.3000108.4M281 L288 S310 I311 K316 L320M281-L318 HydrophobicContact CE-CD1 3.88Å; L288-L318 HydrophobicContact CD1-CB 4.12Å; L288-L318 HydrophobicContact CD1-CD1 4.43Å; S310-L318 CarbonylContact C-O 3.53Å; S310-L318 WeakPolarHBondContact CA-O 3.3Å; S310-L318 WeakPolarHBondContact CB-O 3.15Å; I311-L318 HydrophobicContact CB-CB 4.42Å; I311-L318 PolarHBondContact N-O 3.17Å; I311-L318 WeakPolarHBondContact O-CB 3.32Å; I311-L318 PolarHBondContact O-N 3.47Å; K316-L318 PolarHBondContact O-N 2.94Å; L318-L320 WeakPolarHBondContact O-CD1 3.11Å
319Q97.1Very high91.3Very high118 Ų11871 Ų7155%0.55135%0.346SS*.EExtended strand (participates in β ladder)trans-86.6128.7173.4-63.4-64.9-62.400109.4N317N317-Q319 VanDerWaalsContact CG-NE2 3.29Å; N317-Q319 PolarHBondContact ND2-NE2 3.02Å; N317-Q319 PolarHBondContact OD1-NE2 3Å
320L95.9Very high91.2Very high8 Ų871.8 Ų71.84%0.04235%0.352CS..PPolyproline II helixtrans-94.9156.3176.7-72.681.1000109.2L293 M296 I308 G309 I311 L318 N322L293-L320 HydrophobicContact CD2-CB 4.42Å; L293-L320 HydrophobicContact CD2-CD2 4Å; L293-L320 HydrophobicContact CD2-CG 4.02Å; M296-L320 HydrophobicContact CB-CD2 3.46Å; M296-L320 VanDerWaalsContact CB-CD2 3.46Å; M296-L320 HydrophobicContact CG-CD2 4.2Å; M296-L320 HydrophobicContact SD-CD2 3.7Å; I308-L320 HydrophobicContact CB-CD2 4.48Å; I308-L320 HydrophobicContact CG2-CD2 4.08Å; I308-L320 WeakPolarHBondContact O-CB 3.1Å; G309-L320 PolarHBondContact O-N 3.35Å; I311-L320 HydrophobicContact CB-CD1 4.36Å; I311-L320 HydrophobicContact CD1-CD1 3.94Å; I311-L320 HydrophobicContact CD1-CD2 4.22Å; I311-L320 HydrophobicContact CG1-CD1 3.86Å; L318-L320 WeakPolarHBondContact O-CD1 3.11Å; L320-N322 PolarHBondContact O-N 2.76Å
321P92.5Very high91.1Very high46 Ų4675.4 Ų75.430%0.29936%0.363SS..PPolyproline II helixtrans-56.5137.5175.5-21.230.5000111.3L293 K294 H307L293-P321 HydrophobicContact CB-CG 4.39Å; L293-P321 HydrophobicContact CD2-CG 4.44Å; L293-P321 HydrophobicContact CG-CG 4.2Å; L293-P321 WeakPolarHBondContact O-CG 3.42Å; K294-P321 WeakPolarHBondContact O-CB 3.28Å; H307-P321 PolarHBondContact CE1-O 2.94Å; H307-P321 VanDerWaalsContact CE1-O 3.26Å; H307-P321 PolarHBondContact NE2-O 3.48Å
322N78.3Confident91Very high130 Ų13075.4 Ų75.470%0.69536%0.363SS*.PPolyproline II helixtrans-65.9149.6179.4-72.2-24.9000111.8L320 D324L320-N322 PolarHBondContact O-N 2.76Å; N322-D324 PolarHBondContact O-N 3.29Å
323Q75.6Confident90.7Very high99 Ų9975.7 Ų75.746%0.46337%0.367SS..PPolyproline II helixtrans-66128.8169-168-179.61.800111S327 S330Q323-S327 WeakPolarHBondContact CG-OG 3.37Å; Q323-S330 PolarHBondContact NE2-OG 2.94Å
324D76.3Confident90.5Very high92 Ų9278.5 Ų78.549%0.49239%0.386SS..  trans-104.8170.7161.376.224.8000111.1N322 H326 S327 S330N322-D324 PolarHBondContact O-N 3.29Å; D324-H326 PolarHBondContact O-N 3.12Å; D324-H326 WeakPolarHBondContact OD1-CA 3.44Å; D324-H326 WeakPolarHBondContact OD1-CB 3.04Å; D324-H326 PolarHBondContact OD1-N 3.42Å; D324-S327 VanDerWaalsContact O-CB 3.29Å; D324-S327 WeakPolarHBondContact O-CB 3.41Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 2.75Å; D324-S327 PolarHBondContact OD1-N 2.69Å; D324-S330 PolarHBondContact O-OG 3.49Å
325K75.1Confident90.6Very high191 Ų19175.9 Ų75.983%0.8337%0.374SS*.THydrogen-bonded Turntrans-69.3-13.7179.1-66.4-177.6178.9179.90113.8
326H83.3Confident90.8Very high172 Ų17267.1 Ų67.180%0.79633%0.333SS*.THydrogen-bonded Turntrans-101.50.5-178.3-58.8-65.3000112.5D324D324-H326 PolarHBondContact O-N 3.12Å; D324-H326 WeakPolarHBondContact OD1-CA 3.44Å; D324-H326 WeakPolarHBondContact OD1-CB 3.04Å; D324-H326 PolarHBondContact OD1-N 3.42Å
327S92.6Very high90.7Very high9 Ų962 Ų626%0.06331%0.313CS..  trans-53.9149.217550.70000112.6E295 Q323 D324 S329 S330 R331E295-S327 WeakPolarHBondContact OE2-CA 3.23Å; E295-S327 WeakPolarHBondContact OE2-CB 3.2Å; Q323-S327 WeakPolarHBondContact CG-OG 3.37Å; D324-S327 VanDerWaalsContact O-CB 3.29Å; D324-S327 WeakPolarHBondContact O-CB 3.41Å; D324-S327 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-OG 2.75Å; D324-S327 PolarHBondContact OD1-N 2.69Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.2Å; S327-S330 PolarHBondContact O-N 3.27Å; S327-S330 VanDerWaalsContact O-N 3.17Å; S327-S330 VanDerWaalsContact OG-CB 3.3Å; S327-S330 WeakPolarHBondContact OG-CB 3.49Å; S327-S330 PolarHBondContact OG-OG 3.22Å; S327-R331 PolarHBondContact O-N 3.39Å; S327-R331 VanDerWaalsContact O-N 3.08Å
328L94.8Very high90.6Very high12 Ų1259.1 Ų59.16%0.06330%0.297CS..Hα-helixtrans-63.6-42.4179.5173.961.6000110.3H234 L244 W269 F272 E295 S330 R331 I332H234-L328 HydrophobicContact CB-CD2 4.18Å; L244-L328 HydrophobicContact CD1-CD2 3.99Å; L244-L328 HydrophobicContact CD2-CD2 4.27Å; L244-L328 HydrophobicContact CG-CD2 4.49Å; W269-L328 HydrophobicContact CE3-CD1 4.28Å; W269-L328 HydrophobicContact CZ3-CD1 3.7Å; F272-L328 HydrophobicContact CE1-CD1 4.07Å; F272-L328 HydrophobicContact CE1-CD2 4.2Å; F272-L328 HydrophobicContact CE2-CD2 4.07Å; F272-L328 HydrophobicContact CZ-CD1 3.71Å; F272-L328 HydrophobicContact CZ-CD2 3.56Å; F272-L328 HydrophobicContact CZ-CG 4.3Å; E295-L328 WeakPolarHBondContact OE1-CB 3.34Å; E295-L328 PolarHBondContact OE2-N 3.36Å; L328-S330 VanDerWaalsContact C-N 3.3Å; L328-S330 PolarHBondContact O-N 2.95Å; L328-R331 WeakPolarHBondContact O-CB 3.31Å; L328-R331 PolarHBondContact O-N 3.04Å; L328-I332 HydrophobicContact CD1-CD1 4.05Å; L328-I332 HydrophobicContact CD1-CG1 4.24Å; L328-I332 HydrophobicContact CG-CD1 3.81Å; L328-I332 HydrophobicContact CG-CG1 4.45Å; L328-I332 WeakPolarHBondContact O-CB 3.37Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.83Å
329S93.6Very high90.5Very high2 Ų257.9 Ų57.91%0.01429%0.291CS..Hα-helixtrans-55.7-39.8173.355.30000113.1E295 S327 A333E295-S329 WeakPolarHBondContact OE1-CA 3.43Å; E295-S329 VanDerWaalsContact OE1-CB 3.22Å; E295-S329 WeakPolarHBondContact OE1-CB 3.13Å; E295-S329 PolarHBondContact OE1-N 2.8Å; E295-S329 PolarHBondContact OE1-OG 3.45Å; S327-S329 VanDerWaalsContact C-N 3.32Å; S327-S329 PolarHBondContact O-N 3.2Å; S329-A333 VanDerWaalsContact O-CB 3.31Å; S329-A333 WeakPolarHBondContact O-CB 3.38Å; S329-A333 PolarHBondContact O-N 2.89Å
330S93Very high90.3Very high21 Ų2152.6 Ų52.615%0.14727%0.266CS..Hα-helixtrans-68.9-42.6175.2-60.80000112.4Q323 D324 S327 L328 A333 T334Q323-S330 PolarHBondContact NE2-OG 2.94Å; D324-S330 PolarHBondContact O-OG 3.49Å; S327-S330 PolarHBondContact O-N 3.27Å; S327-S330 VanDerWaalsContact O-N 3.17Å; S327-S330 VanDerWaalsContact OG-CB 3.3Å; S327-S330 WeakPolarHBondContact OG-CB 3.49Å; S327-S330 PolarHBondContact OG-OG 3.22Å; L328-S330 VanDerWaalsContact C-N 3.3Å; L328-S330 PolarHBondContact O-N 2.95Å; S330-A333 PolarHBondContact O-N 3.44Å; S330-T334 PolarHBondContact O-N 2.83Å; S330-T334 PolarHBondContact O-OG1 3.41Å; S330-T334 VanDerWaalsContact O-OG1 3.08Å
331R95.3Very high90.2Very high93 Ų9352.4 Ų52.435%0.35127%0.265SS..Hα-helixtrans-59.5-47.4174.7180-177.4173.8175.4-3.4111.1W269 E271 S327 L328 T334 E335W269-R331 VanDerWaalsContact CD1-NH2 3.34Å; W269-R331 VanDerWaalsContact CG-NH2 3.29Å; W269-R331 HydrophobicContact CH2-CG 3.77Å; W269-R331 HydrophobicContact CZ2-CG 4.09Å; W269-R331 HydrophobicContact CZ3-CG 4.35Å; E271-R331 VanDerWaalsContact CD-NH1 3.28Å; E271-R331 IonicContact OE1-CZ 2.72Å; E271-R331 IonicContact OE1-NH1 3.09Å; E271-R331 PolarHBondContact OE1-NH1 3.15Å; E271-R331 IonicContact OE1-NH2 3.3Å; E271-R331 PolarHBondContact OE1-NH2 2.88Å; E271-R331 IonicContact OE2-CZ 2.7Å; E271-R331 IonicContact OE2-NH1 2.97Å; E271-R331 PolarHBondContact OE2-NH1 3.39Å; E271-R331 IonicContact OE2-NH2 2.76Å; S327-R331 PolarHBondContact O-N 3.39Å; S327-R331 VanDerWaalsContact O-N 3.08Å; L328-R331 WeakPolarHBondContact O-CB 3.31Å; L328-R331 PolarHBondContact O-N 3.04Å; R331-T334 PolarHBondContact O-N 3.18Å; R331-E335 PolarHBondContact O-N 3.07Å
332I95.9Very high90.2Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-59-48.2176.2-70164.3000110.7I262 W269 F297 V305 L328 T334 E335 L336I262-I332 HydrophobicContact CD1-CG2 3.96Å; I262-I332 HydrophobicContact CG1-CG2 3.62Å; I262-I332 HydrophobicContact CG2-CD1 3.85Å; W269-I332 HydrophobicContact CH2-CG1 3.81Å; W269-I332 HydrophobicContact CZ3-CG1 3.88Å; F297-I332 HydrophobicContact CE2-CD1 4.34Å; F297-I332 HydrophobicContact CZ-CD1 3.83Å; V305-I332 HydrophobicContact CG2-CG2 3.75Å; L328-I332 HydrophobicContact CD1-CD1 4.05Å; L328-I332 HydrophobicContact CD1-CG1 4.24Å; L328-I332 HydrophobicContact CG-CD1 3.81Å; L328-I332 HydrophobicContact CG-CG1 4.45Å; L328-I332 WeakPolarHBondContact O-CB 3.37Å; L328-I332 VanDerWaalsContact O-CG1 3.27Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.83Å; I332-T334 VanDerWaalsContact C-N 3.31Å; I332-T334 PolarHBondContact O-N 3.4Å; I332-E335 PolarHBondContact O-N 2.79Å; I332-L336 HydrophobicContact CG2-CD1 3.83Å; I332-L336 HydrophobicContact CG2-CG 4.31Å; I332-L336 WeakPolarHBondContact O-CB 3.45Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.46Å; I332-L336 PolarHBondContact O-N 3.3Å
333A93.1Very high91Very high26 Ų2651.4 Ų51.422%0.21526%0.255CS..Hα-helixtrans-60.9-41.4-178.900000111.9V305 S329 S330 T337V305-A333 HydrophobicContact CB-CB 4.31Å; V305-A333 HydrophobicContact CG2-CB 4.44Å; S329-A333 VanDerWaalsContact O-CB 3.31Å; S329-A333 WeakPolarHBondContact O-CB 3.38Å; S329-A333 PolarHBondContact O-N 2.89Å; S330-A333 PolarHBondContact O-N 3.44Å; A333-T337 WeakPolarHBondContact O-CB 3.25Å; A333-T337 PolarHBondContact O-N 3.38Å; A333-T337 PolarHBondContact O-OG1 2.98Å
334T93.6Very high92Very high78 Ų7848.2 Ų48.248%0.47924%0.244SC..Hα-helixtrans-63-53.3175.3-61.70000111.1S330 R331 I332 L336 T337 D338S330-T334 PolarHBondContact O-N 2.83Å; S330-T334 PolarHBondContact O-OG1 3.41Å; S330-T334 VanDerWaalsContact O-OG1 3.08Å; R331-T334 PolarHBondContact O-N 3.18Å; I332-T334 VanDerWaalsContact C-N 3.31Å; I332-T334 PolarHBondContact O-N 3.4Å; T334-L336 VanDerWaalsContact C-N 3.35Å; T334-L336 PolarHBondContact O-N 2.86Å; T334-T337 WeakPolarHBondContact O-CA 3.44Å; T334-T337 WeakPolarHBondContact O-CB 3.14Å; T334-T337 PolarHBondContact O-N 3.42Å; T334-D338 PolarHBondContact O-N 2.88Å
335E95.8Very high92.8Very high57 Ų5750.2 Ų50.227%0.26626%0.261SS..Hα-helixtrans-58.2-45.6-178.2-171.269.6-168.100111.9L265 W269 R331 I332 T337 D338 I339L265-E335 HydrophobicContact CD1-CB 4.12Å; L265-E335 HydrophobicContact CD1-CG 3.82Å; L265-E335 HydrophobicContact CD2-CG 3.85Å; L265-E335 HydrophobicContact CG-CG 4.5Å; W269-E335 HydrophobicContact CZ2-CB 4.38Å; W269-E335 HydrophobicContact CZ2-CG 4.28Å; R331-E335 PolarHBondContact O-N 3.07Å; I332-E335 PolarHBondContact O-N 2.79Å; E335-T337 VanDerWaalsContact C-N 3.32Å; E335-T337 PolarHBondContact O-N 3.41Å; E335-D338 PolarHBondContact O-N 3.48Å; E335-I339 HydrophobicContact CG-CD1 4.25Å; E335-I339 WeakPolarHBondContact O-CG1 3.1Å; E335-I339 PolarHBondContact O-N 3.37Å
336L95Very high93.8Very high1 Ų142.7 Ų42.71%0.00523%0.233CC..Hα-helixtrans-62.9-39.3176.1-69.2177.4000111.9F83 T258 I262 L265 V305 I332 T334 Q340 W348F83-L336 HydrophobicContact CE2-CD2 4.48Å; F83-L336 HydrophobicContact CZ-CD2 3.85Å; T258-L336 HydrophobicContact CG2-CD1 4.04Å; I262-L336 HydrophobicContact CG1-CD1 4.43Å; L265-L336 HydrophobicContact CD1-CD2 3.94Å; L265-L336 HydrophobicContact CD1-CG 4.19Å; V305-L336 HydrophobicContact CG2-CD1 4.46Å; I332-L336 HydrophobicContact CG2-CD1 3.83Å; I332-L336 HydrophobicContact CG2-CG 4.31Å; I332-L336 WeakPolarHBondContact O-CB 3.45Å; I332-L336 VanDerWaalsContact O-CG 3.31Å; I332-L336 WeakPolarHBondContact O-CG 3.46Å; I332-L336 PolarHBondContact O-N 3.3Å; T334-L336 VanDerWaalsContact C-N 3.35Å; T334-L336 PolarHBondContact O-N 2.86Å; L336-Q340 VanDerWaalsContact O-CB 3.29Å; L336-Q340 WeakPolarHBondContact O-CB 3.28Å; L336-Q340 WeakPolarHBondContact O-CG 3.43Å; L336-Q340 PolarHBondContact O-N 3.07Å; L336-W348 HydrophobicContact CD2-CZ3 4.18Å
337T92.7Very high94.4Very high21 Ų2140.9 Ų40.913%0.12923%0.229CC..Hα-helixtrans-64.1-45.2177-58.40000110.9R304 A333 T334 E335 Q340 H341R304-T337 PolarHBondContact NH1-OG1 3.17Å; A333-T337 WeakPolarHBondContact O-CB 3.25Å; A333-T337 PolarHBondContact O-N 3.38Å; A333-T337 PolarHBondContact O-OG1 2.98Å; T334-T337 WeakPolarHBondContact O-CA 3.44Å; T334-T337 WeakPolarHBondContact O-CB 3.14Å; T334-T337 PolarHBondContact O-N 3.42Å; E335-T337 VanDerWaalsContact C-N 3.32Å; E335-T337 PolarHBondContact O-N 3.41Å; T337-Q340 PolarHBondContact O-N 2.67Å; T337-H341 PolarHBondContact O-N 2.84Å; T337-H341 PolarHBondContact O-ND1 3.15Å
338D94.9Very high94.6Very high34 Ų3442 Ų4218%0.18223%0.232CC..Hα-helixtrans-67.2-37.9-177.3-71.4-14.7000111.4T334 E335 G342 R343 S344T334-D338 PolarHBondContact O-N 2.88Å; E335-D338 PolarHBondContact O-N 3.48Å; D338-G342 PolarHBondContact O-N 3.38Å; D338-G342 VanDerWaalsContact O-N 3.13Å; D338-R343 HydrophobicContact CB-CB 4Å; D338-R343 PolarHBondContact O-N 2.78Å; D338-R343 VanDerWaalsContact OD1-CD 3.3Å; D338-R343 WeakPolarHBondContact OD1-CD 3.49Å; D338-R343 IonicContact OD1-CZ 3.29Å; D338-R343 IonicContact OD1-NH1 3.85Å; D338-R343 PolarHBondContact OD1-NH1 3.07Å; D338-S344 PolarHBondContact O-N 3.07Å; D338-S344 VanDerWaalsContact O-N 3.1Å
339I95.9Very high94.7Very high6 Ų642.8 Ų42.83%0.03124%0.237CC..Hα-helixtrans-62.2-51.6169.7-68.8167.3000110.6F83 E335 H341 G342 W348 T349F83-I339 HydrophobicContact CD2-CG2 4.28Å; F83-I339 HydrophobicContact CE2-CG2 3.91Å; E335-I339 HydrophobicContact CG-CD1 4.25Å; E335-I339 WeakPolarHBondContact O-CG1 3.1Å; E335-I339 PolarHBondContact O-N 3.37Å; I339-H341 VanDerWaalsContact C-N 3.28Å; I339-H341 PolarHBondContact O-N 3.49Å; I339-G342 PolarHBondContact O-N 3.13Å; I339-W348 HydrophobicContact CD1-CE3 3.98Å; I339-W348 HydrophobicContact CD1-CZ3 4.13Å; I339-W348 HydrophobicContact CG2-CB 4.33Å; I339-T349 HydrophobicContact CG2-CG2 3.74Å; I339-T349 WeakPolarHBondContact O-CG2 3.49Å
340Q93.8Very high94.9Very high6 Ų646.8 Ų46.83%0.02825%0.253CS..Hα-helixtrans-58.9-36.6-176.9-75.8163.31.500113.1Y73 F83 L336 T337Y73-Q340 WeakPolarHBondContact CB-O 3.11Å; Y73-Q340 HydrophobicContact CD1-CB 4.02Å; Y73-Q340 HydrophobicContact CD2-CB 3.91Å; Y73-Q340 HydrophobicContact CD2-CG 4.06Å; Y73-Q340 HydrophobicContact CE1-CB 4.13Å; Y73-Q340 HydrophobicContact CE1-CG 4.27Å; Y73-Q340 HydrophobicContact CE2-CB 4.06Å; Y73-Q340 HydrophobicContact CE2-CG 3.73Å; Y73-Q340 HydrophobicContact CG-CB 3.89Å; Y73-Q340 HydrophobicContact CG-CG 4.48Å; Y73-Q340 VanDerWaalsContact CZ-CD 3.43Å; Y73-Q340 PolarHBondContact OH-NE2 3.43Å; Y73-Q340 PolarHBondContact OH-OE1 2.77Å; F83-Q340 HydrophobicContact CB-CG 4.17Å; F83-Q340 HydrophobicContact CD2-CG 3.67Å; F83-Q340 HydrophobicContact CE2-CG 4.25Å; F83-Q340 HydrophobicContact CG-CG 3.98Å; L336-Q340 VanDerWaalsContact O-CB 3.29Å; L336-Q340 WeakPolarHBondContact O-CB 3.28Å; L336-Q340 WeakPolarHBondContact O-CG 3.43Å; L336-Q340 PolarHBondContact O-N 3.07Å; T337-Q340 PolarHBondContact O-N 2.67Å
341H92.9Very high95.1Very high5 Ų549.6 Ų49.62%0.02327%0.266CS..THydrogen-bonded Turntrans-93.24.1179.4-62.878.8000113.3Y73 R74 G75 D76 T337 I339 R343Y73-H341 AromaticContact CD1-CE1 3.87Å; R74-H341 PolarHBondContact O-CD2 3.08Å; G75-H341 WeakPolarHBondContact CA-O 3.26Å; D76-H341 PolarHBondContact N-O 2.77Å; T337-H341 PolarHBondContact O-N 2.84Å; T337-H341 PolarHBondContact O-ND1 3.15Å; I339-H341 VanDerWaalsContact C-N 3.28Å; I339-H341 PolarHBondContact O-N 3.49Å; H341-R343 VanDerWaalsContact C-N 3.32Å; H341-R343 PolarHBondContact O-N 2.87Å
342G93.6Very high95Very high30 Ų3047.1 Ų47.131%0.30926%0.261SS..THydrogen-bonded Turntrans7318.6176.200000115.3D338 I339D338-G342 PolarHBondContact O-N 3.38Å; D338-G342 VanDerWaalsContact O-N 3.13Å; I339-G342 PolarHBondContact O-N 3.13Å
343R95.2Very high94.9Very high125 Ų12549.5 Ų49.547%0.47227%0.274SS..SBendtrans-75.5-34.7172.4-61175.8-167.5150.64.1111.2D76 D338 H341D76-R343 IonicContact OD1-NE 3.36Å; D76-R343 IonicContact OD1-NH2 2.76Å; D76-R343 PolarHBondContact OD1-NH2 3.26Å; D76-R343 WeakPolarHBondContact OD2-CG 3.38Å; D76-R343 IonicContact OD2-CZ 3.18Å; D76-R343 IonicContact OD2-NE 3.71Å; D76-R343 PolarHBondContact OD2-NE 3.36Å; D76-R343 IonicContact OD2-NH2 2.89Å; D338-R343 HydrophobicContact CB-CB 4Å; D338-R343 PolarHBondContact O-N 2.78Å; D338-R343 VanDerWaalsContact OD1-CD 3.3Å; D338-R343 WeakPolarHBondContact OD1-CD 3.49Å; D338-R343 IonicContact OD1-CZ 3.29Å; D338-R343 IonicContact OD1-NH1 3.85Å; D338-R343 PolarHBondContact OD1-NH1 3.07Å; H341-R343 VanDerWaalsContact C-N 3.32Å; H341-R343 PolarHBondContact O-N 2.87Å
344S95.3Very high95Very high32 Ų3250.7 Ų50.722%0.22428%0.277CS..SBendtrans-110.3117.8173.4-65.90000109.6D338 S346D338-S344 PolarHBondContact O-N 3.07Å; D338-S344 VanDerWaalsContact O-N 3.1Å; S344-S346 PolarHBondContact O-N 2.8Å
345P92.9Very high95.1Very high133 Ų13349.2 Ų49.286%0.86427%0.266SS*.  trans-60.3132.3175.3-23.833.8000112.1
346S96.4Very high95.1Very high34 Ų3448.8 Ų48.824%0.23827%0.266CS..  trans-158.3145175.2170.70000110.8S344 W348 T349S344-S346 PolarHBondContact O-N 2.8Å; S346-W348 PolarHBondContact O-N 3.44Å; S346-W348 VanDerWaalsContact OG-CB 3.31Å; S346-W348 WeakPolarHBondContact OG-CB 3.14Å; S346-W348 VanDerWaalsContact OG-CG 3.31Å; S346-W348 PolarHBondContact OG-N 2.91Å; S346-T349 PolarHBondContact O-N 2.9Å; S346-T349 PolarHBondContact O-OG1 2.9Å
347D96.3Very high95.1Very high133 Ų13351.8 Ų51.871%0.71128%0.282SS*.THydrogen-bonded Turntrans-66.7-6.1170.463.9-26.9000113.6T349D347-T349 VanDerWaalsContact C-N 3.27Å; D347-T349 PolarHBondContact O-N 3.26Å
348W97.7Very high95.2Very high32 Ų3253.8 Ų53.812%0.12129%0.293CS..THydrogen-bonded Turntrans-75.4-16.1176.8-67.43000113.3F83 R84 S261 D264 L265 L336 I339 S346F83-W348 HydrophobicContact CD2-CB 4.44Å; F83-W348 HydrophobicContact CE2-CB 4.04Å; F83-W348 AromaticContact CE2-CE3 3.8Å; F83-W348 HydrophobicContact CE2-CE3 3.8Å; F83-W348 AromaticContact CZ-CE3 3.76Å; F83-W348 HydrophobicContact CZ-CE3 3.76Å; F83-W348 HydrophobicContact CZ-CZ3 4.35Å; R84-W348 WeakPolarHBondContact CA-O 3.33Å; R84-W348 HydrophobicContact CG-CB 3.64Å; R84-W348 HydrophobicContact CG-CD2 4.4Å; R84-W348 HydrophobicContact CG-CG 3.88Å; R84-W348 PolarHBondContact N-O 2.71Å; S261-W348 WeakPolarHBondContact O-CH2 3.03Å; D264-W348 HydrophobicContact CB-CH2 3.82Å; D264-W348 HydrophobicContact CB-CZ2 3.61Å; L265-W348 HydrophobicContact CD1-CZ3 4.41Å; L265-W348 HydrophobicContact CD2-CH2 3.97Å; L265-W348 HydrophobicContact CD2-CZ3 4.14Å; L265-W348 HydrophobicContact CG-CH2 3.81Å; L265-W348 HydrophobicContact CG-CZ3 4Å; L336-W348 HydrophobicContact CD2-CZ3 4.18Å; I339-W348 HydrophobicContact CD1-CE3 3.98Å; I339-W348 HydrophobicContact CD1-CZ3 4.13Å; I339-W348 HydrophobicContact CG2-CB 4.33Å; S346-W348 PolarHBondContact O-N 3.44Å; S346-W348 VanDerWaalsContact OG-CB 3.31Å; S346-W348 WeakPolarHBondContact OG-CB 3.14Å; S346-W348 VanDerWaalsContact OG-CG 3.31Å; S346-W348 PolarHBondContact OG-N 2.91Å
349T96.8Very high95.3Very high29 Ų2955.2 Ų55.218%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-101.5135.9-179.463.20000112.3L82 F83 I339 S346 D347L82-T349 WeakPolarHBondContact O-CA 3.37Å; F83-T349 HydrophobicContact CD2-CG2 4.5Å; I339-T349 HydrophobicContact CG2-CG2 3.74Å; I339-T349 WeakPolarHBondContact O-CG2 3.49Å; S346-T349 PolarHBondContact O-N 2.9Å; S346-T349 PolarHBondContact O-OG1 2.9Å; D347-T349 VanDerWaalsContact C-N 3.27Å; D347-T349 PolarHBondContact O-N 3.26Å
350Y97Very high95.2Very high86 Ų8659 Ų5934%0.33732%0.321SS..EExtended strand (participates in β ladder)trans-113.5118.5178.1-72-112.7000107.2R81 L82 P85 L86 V352R81-Y350 CarbonylContact C-O 3.6Å; R81-Y350 WeakPolarHBondContact CA-O 3.32Å; L82-Y350 PolarHBondContact N-O 2.67Å; L82-Y350 PolarHBondContact O-N 2.72Å; P85-Y350 HydrophobicContact CG-CD1 4.23Å; P85-Y350 HydrophobicContact CG-CD2 3.66Å; P85-Y350 HydrophobicContact CG-CE2 4.27Å; P85-Y350 HydrophobicContact CG-CG 3.65Å; L86-Y350 HydrophobicContact CD1-CE1 3.97Å; L86-Y350 WeakPolarHBondContact CD1-OH 3.37Å; L86-Y350 HydrophobicContact CG-CE1 4.05Å; Y350-V352 PolarHBondContact O-N 3.28Å
351L96.1Very high95.3Very high80 Ų8063.4 Ų63.442%0.41935%0.346SS..EExtended strand (participates in β ladder)trans-64.2132.3174.4-68.1173.8000109R79 L80 R81 K114R79-L351 HydrophobicContact CB-CD2 4.03Å; L80-L351 WeakPolarHBondContact O-CA 3.49Å; R81-L351 HydrophobicContact CG-CD2 3.9Å; K114-L351 WeakPolarHBondContact CE-O 3.28Å; K114-L351 PolarHBondContact NZ-O 3.14Å
352V93.8Very high95.6Very high42 Ų4268.7 Ų68.726%0.25538%0.375SS..  trans-69.70169.4-178.10000107.9V72 L80 L82 K114 I117 E118 Y350V72-V352 HydrophobicContact CG2-CG2 4Å; L80-V352 HydrophobicContact CB-CB 3.82Å; L80-V352 HydrophobicContact CB-CG2 3.87Å; L80-V352 PolarHBondContact O-N 2.8Å; L82-V352 HydrophobicContact CD1-CG2 4.39Å; L82-V352 HydrophobicContact CG-CG2 4.05Å; K114-V352 HydrophobicContact CB-CG1 4.39Å; K114-V352 VanDerWaalsContact CE-CA 3.43Å; K114-V352 WeakPolarHBondContact CE-OXT 3.25Å; K114-V352 PolarHBondContact NZ-OXT 3.25Å; I117-V352 HydrophobicContact CB-CG1 3.93Å; I117-V352 HydrophobicContact CD1-CG2 4.19Å; I117-V352 HydrophobicContact CG2-CB 4.46Å; I117-V352 HydrophobicContact CG2-CG1 3.8Å; I117-V352 HydrophobicContact CG2-CG2 4.11Å; E118-V352 HydrophobicContact CG-CG1 3.91Å; Y350-V352 PolarHBondContact O-N 3.28Å

Retrieved 352 of 352 residues in 362.9 ms (Link to these results)

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