A0A087XPQ6_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XPQ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 960 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
1M35.8Very low49.1Very low224 Ų224113.2 Ų113.2100%1.10361%0.608SS**  071.70-60.3164.8179.700108.8
2N34.7Very low52.5Low138 Ų138108.8 Ų108.874%0.73859%0.589SS**  trans-119.841.7-153.7-58.835.6000113.3
3S35Very low55.4Low99 Ų99100.5 Ų100.569%0.69254%0.544SS*.SBendtrans-122.95.4-174.3-50.30000114.7
4T40.4Very low57.8Low92 Ų9299.8 Ų99.856%0.56454%0.544SS*.SBendtrans-91.4-51175.637.50000111.9V6 K7 E8T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 2.98Å; T4-K7 PolarHBondContact O-N 3.32Å; T4-E8 PolarHBondContact O-N 3.38Å
5T45.5Very low59.9Low88 Ų8898 Ų9854%0.5453%0.533SS..THydrogen-bonded Turntrans-56.2-38.2-171.651.50000114.8K7 E8 S9T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.48Å; T5-E8 VanDerWaalsContact O-CB 3.25Å; T5-E8 WeakPolarHBondContact O-CB 3.31Å; T5-E8 PolarHBondContact O-N 2.91Å; T5-E8 VanDerWaalsContact O-N 3.09Å; T5-S9 PolarHBondContact O-N 2.97Å
6V44.6Very low61.8Low93 Ų9394.3 Ų94.356%0.56452%0.516SS*.Hα-helixtrans-65.4-31.7178.1-175.70000111.9T4 E8 S9T4-V6 VanDerWaalsContact C-N 3.33Å; T4-V6 PolarHBondContact O-N 2.98Å; V6-E8 VanDerWaalsContact C-N 3.25Å; V6-E8 PolarHBondContact O-N 2.82Å; V6-S9 PolarHBondContact O-OG 3.3Å
7K48.4Very low63.4Low133 Ų13395.7 Ų95.758%0.57853%0.533SS*.Hα-helixtrans-84.92.7176.2-63.8-179.9177.1177.40113.1T4 T5 K11T4-K7 PolarHBondContact O-N 3.32Å; T5-K7 VanDerWaalsContact C-N 3.28Å; T5-K7 PolarHBondContact O-N 3.48Å; K7-K11 WeakPolarHBondContact O-CD 3.4Å; K7-K11 WeakPolarHBondContact O-CE 3.19Å; K7-K11 WeakPolarHBondContact O-CG 3.4Å; K7-K11 PolarHBondContact O-NZ 3.32Å
8E51.4Low64.8Low105 Ų10596.2 Ų96.249%0.49153%0.53SS..Hα-helixtrans-92.7-49177.3-130.4113.7-115.900109.4T4 T5 V6 E10 K11T4-E8 PolarHBondContact O-N 3.38Å; T5-E8 VanDerWaalsContact O-CB 3.25Å; T5-E8 WeakPolarHBondContact O-CB 3.31Å; T5-E8 PolarHBondContact O-N 2.91Å; T5-E8 VanDerWaalsContact O-N 3.09Å; V6-E8 VanDerWaalsContact C-N 3.25Å; V6-E8 PolarHBondContact O-N 2.82Å; E8-E10 VanDerWaalsContact C-N 3.33Å; E8-E10 PolarHBondContact O-N 3.09Å; E8-K11 WeakPolarHBondContact O-CB 3.11Å; E8-K11 PolarHBondContact O-N 3.21Å
9S57Low66Low75 Ų7597.3 Ų97.352%0.52454%0.536SS..Hα-helixtrans-59.9-39.1177.255.70000113T5 V6 K11 T12T5-S9 PolarHBondContact O-N 2.97Å; V6-S9 PolarHBondContact O-OG 3.3Å; S9-K11 PolarHBondContact O-N 3.05Å; S9-K11 VanDerWaalsContact O-N 3.12Å; S9-T12 PolarHBondContact O-N 2.88Å; S9-T12 PolarHBondContact O-OG1 3.28Å
10E65.4Low67.1Low103 Ų10393 Ų9348%0.48151%0.512SS..THydrogen-bonded Turntrans-56.9-23.3174.1-71.3179.9160.300113.9E8 F23 L65E8-E10 VanDerWaalsContact C-N 3.33Å; E8-E10 PolarHBondContact O-N 3.09Å; E10-F23 WeakPolarHBondContact O-CE1 3.03Å; E10-L65 HydrophobicContact CB-CD1 4.39Å
11K81.3Confident68.1Low95 Ų9594.7 Ų94.741%0.41352%0.52SS..THydrogen-bonded Turntrans-91.5-7.7177.8-59.6170.6-171.5156.40113.3K7 E8 S9 D19 I20K7-K11 WeakPolarHBondContact O-CD 3.4Å; K7-K11 WeakPolarHBondContact O-CE 3.19Å; K7-K11 WeakPolarHBondContact O-CG 3.4Å; K7-K11 PolarHBondContact O-NZ 3.32Å; E8-K11 WeakPolarHBondContact O-CB 3.11Å; E8-K11 PolarHBondContact O-N 3.21Å; S9-K11 PolarHBondContact O-N 3.05Å; S9-K11 VanDerWaalsContact O-N 3.12Å; K11-D19 CarbonylContact O-C 3.59Å; K11-D19 WeakPolarHBondContact O-CA 3.35Å; K11-I20 VanDerWaalsContact O-CB 3.29Å; K11-I20 WeakPolarHBondContact O-CB 3.22Å; K11-I20 WeakPolarHBondContact O-CD1 3.18Å; K11-I20 WeakPolarHBondContact O-CG1 3.45Å; K11-I20 PolarHBondContact O-N 2.92Å
12T90.6Very high70.7Confident61 Ų6184.1 Ų84.137%0.37447%0.468SS..BIsolated β-bridgetrans-91.8135.2-177.563.20000111.7S9 V14S9-T12 PolarHBondContact O-N 2.88Å; S9-T12 PolarHBondContact O-OG1 3.28Å; T12-V14 PolarHBondContact O-N 3.42Å
13C90.4Very high73.3Confident1 Ų178.2 Ų78.21%0.00744%0.436CS..  trans-80114.8179.2-174.90000111.7L15 C16 C17 Q18 I20 C33C13-L15 PolarHBondContact O-N 3.44Å; C13-C16 VanDerWaalsContact CB-SG 3.56Å; C13-C16 PolarHBondContact O-N 2.79Å; C13-C16 VanDerWaalsContact O-N 3.16Å; C13-C16 VanDerWaalsContact SG-SG 3.64Å; C13-C17 WeakPolarHBondContact O-CA 2.83Å; C13-C17 PolarHBondContact O-N 2.8Å; C13-Q18 WeakPolarHBondContact CB-O 3.38Å; C13-Q18 PolarHBondContact N-O 2.87Å; C13-I20 HydrophobicContact CB-CD1 4.2Å; C13-I20 HydrophobicContact CB-CG1 3.87Å; C13-C33 HydrophobicContact CB-CB 3.88Å; C13-C33 PolarHBondContact SG-N 2.82Å; C13-C33 VanDerWaalsContact SG-N 3.37Å
14V88.8Confident76Confident90 Ų9073.8 Ų73.855%0.54541%0.405SS..THydrogen-bonded Turntrans-58.9-7.8177.6-59.50000115.6T12 V51T12-V14 PolarHBondContact O-N 3.42Å; V14-V51 HydrophobicContact CG2-CG2 3.75Å
15L89.3Confident78.4Confident73 Ų7369.5 Ų69.538%0.38238%0.378SS..THydrogen-bonded Turntrans-110.7-13.3-179.4-54.9-178.3000114.8C13 V32 C36 M40 A50C13-L15 PolarHBondContact O-N 3.44Å; L15-V32 HydrophobicContact CD1-CG1 3.57Å; L15-V32 HydrophobicContact CD1-CG2 4.43Å; L15-V32 HydrophobicContact CG-CG1 4.27Å; L15-C36 HydrophobicContact CB-CB 4.13Å; L15-C36 HydrophobicContact CD1-CB 3.88Å; L15-M40 HydrophobicContact CD1-SD 4.2Å; L15-A50 HydrophobicContact CD1-CB 3.5Å; L15-A50 HydrophobicContact CD2-CB 3.59Å; L15-A50 HydrophobicContact CG-CB 4.12Å
16C89.5Confident80.5Confident39 Ų3965.4 Ų65.426%0.26435%0.354SS..THydrogen-bonded Turntrans-144.73.4-179.168.50000114.4C13 Q18C13-C16 VanDerWaalsContact CB-SG 3.56Å; C13-C16 PolarHBondContact O-N 2.79Å; C13-C16 VanDerWaalsContact O-N 3.16Å; C13-C16 VanDerWaalsContact SG-SG 3.64Å; C16-Q18 WeakPolarHBondContact O-CG 3.17Å; C16-Q18 PolarHBondContact O-N 3.29Å
17C89.1Confident82.5Confident118 Ų11865.4 Ų65.480%0.79735%0.346SS*.SBendtrans51.829.2177.9-56.20000114.5C13C13-C17 WeakPolarHBondContact O-CA 2.83Å; C13-C17 PolarHBondContact O-N 2.8Å
18Q88.8Confident84.5Confident104 Ų10460.1 Ų60.149%0.48633%0.326SS..  trans-112.1154.6176.1-69.8165.218.700109.8C13 C16C13-Q18 WeakPolarHBondContact CB-O 3.38Å; C13-Q18 PolarHBondContact N-O 2.87Å; C16-Q18 WeakPolarHBondContact O-CG 3.17Å; C16-Q18 PolarHBondContact O-N 3.29Å
19D88.6Confident86.2Confident118 Ų11858 Ų5863%0.63132%0.318SS*.BIsolated β-bridgetrans-63151175.6-63.3-50.6000112.7K11K11-D19 CarbonylContact O-C 3.59Å; K11-D19 WeakPolarHBondContact O-CA 3.35Å
20I88.1Confident87.8Confident11 Ų1157.7 Ų57.76%0.05631%0.308CS..  trans-108.1100.4-174.4-56.4162.4000110.5K11 C13 I22 F23 C33K11-I20 VanDerWaalsContact O-CB 3.29Å; K11-I20 WeakPolarHBondContact O-CB 3.22Å; K11-I20 WeakPolarHBondContact O-CD1 3.18Å; K11-I20 WeakPolarHBondContact O-CG1 3.45Å; K11-I20 PolarHBondContact O-N 2.92Å; C13-I20 HydrophobicContact CB-CD1 4.2Å; C13-I20 HydrophobicContact CB-CG1 3.87Å; I20-I22 WeakPolarHBondContact CG2-O 3.43Å; I20-F23 HydrophobicContact CB-CD1 3.98Å; I20-F23 HydrophobicContact CB-CE1 3.69Å; I20-F23 HydrophobicContact CB-CZ 3.98Å; I20-F23 HydrophobicContact CD1-CD1 3.78Å; I20-F23 HydrophobicContact CD1-CE1 3.63Å; I20-F23 HydrophobicContact CG1-CD1 4.47Å; I20-F23 HydrophobicContact CG1-CE1 4.27Å; I20-F23 HydrophobicContact CG2-CB 4.18Å; I20-F23 HydrophobicContact CG2-CD1 3.4Å; I20-F23 VanDerWaalsContact CG2-CD1 3.4Å; I20-F23 HydrophobicContact CG2-CD2 3.95Å; I20-F23 HydrophobicContact CG2-CE1 3.62Å; I20-F23 HydrophobicContact CG2-CE2 4.12Å; I20-F23 HydrophobicContact CG2-CG 3.58Å; I20-F23 HydrophobicContact CG2-CZ 3.97Å; I20-C33 HydrophobicContact CG1-CB 3.92Å; I20-C33 HydrophobicContact CG2-CB 4.22Å
21D87.2Confident88.9Confident128 Ų12854.9 Ų54.968%0.68430%0.299SS*.SBendtrans-72.1-31.8167.8-62.4-53000112.8
22I89.9Confident89.3Confident3 Ų351 Ų512%0.01528%0.283CS..SBendtrans-138.8116.4-179.7-52.8169.9000108.7I20 Y34 F61 T91 Q94I20-I22 WeakPolarHBondContact CG2-O 3.43Å; I22-Y34 HydrophobicContact CB-CD1 3.66Å; I22-Y34 HydrophobicContact CB-CE1 4.32Å; I22-Y34 HydrophobicContact CB-CG 3.98Å; I22-Y34 HydrophobicContact CD1-CD1 4.23Å; I22-Y34 HydrophobicContact CD1-CE1 4.23Å; I22-Y34 HydrophobicContact CD1-CG 4.39Å; I22-Y34 HydrophobicContact CG1-CD1 4.28Å; I22-Y34 HydrophobicContact CG1-CE1 4.48Å; I22-Y34 HydrophobicContact CG2-CG 4.37Å; I22-Y34 PolarHBondContact O-N 3.28Å; I22-F61 HydrophobicContact CG2-CB 3.89Å; I22-F61 HydrophobicContact CG2-CG 4.46Å; I22-T91 HydrophobicContact CD1-CG2 3.82Å; I22-T91 HydrophobicContact CG1-CG2 4.21Å; I22-T91 HydrophobicContact CG2-CG2 4.18Å; I22-Q94 HydrophobicContact CD1-CB 4.33Å
23F90.9Very high89.4Confident14 Ų1448.5 Ų48.56%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-83.7135.5177.5-56.5-93.3000110E10 I20 L25 P31 F61 V62 L65E10-F23 WeakPolarHBondContact O-CE1 3.03Å; I20-F23 HydrophobicContact CB-CD1 3.98Å; I20-F23 HydrophobicContact CB-CE1 3.69Å; I20-F23 HydrophobicContact CB-CZ 3.98Å; I20-F23 HydrophobicContact CD1-CD1 3.78Å; I20-F23 HydrophobicContact CD1-CE1 3.63Å; I20-F23 HydrophobicContact CG1-CD1 4.47Å; I20-F23 HydrophobicContact CG1-CE1 4.27Å; I20-F23 HydrophobicContact CG2-CB 4.18Å; I20-F23 HydrophobicContact CG2-CD1 3.4Å; I20-F23 VanDerWaalsContact CG2-CD1 3.4Å; I20-F23 HydrophobicContact CG2-CD2 3.95Å; I20-F23 HydrophobicContact CG2-CE1 3.62Å; I20-F23 HydrophobicContact CG2-CE2 4.12Å; I20-F23 HydrophobicContact CG2-CG 3.58Å; I20-F23 HydrophobicContact CG2-CZ 3.97Å; F23-L25 HydrophobicContact CB-CG 4.42Å; F23-P31 HydrophobicContact CD1-CB 4.05Å; F23-F61 CarbonylContact O-C 3.49Å; F23-F61 WeakPolarHBondContact O-CA 3.43Å; F23-V62 HydrophobicContact CB-CG2 3.85Å; F23-V62 PolarHBondContact N-O 3.49Å; F23-V62 PolarHBondContact O-N 3.21Å; F23-L65 HydrophobicContact CB-CD2 4Å; F23-L65 HydrophobicContact CD1-CD1 4.35Å; F23-L65 HydrophobicContact CD1-CD2 3.4Å; F23-L65 VanDerWaalsContact CD1-CD2 3.4Å; F23-L65 HydrophobicContact CD1-CG 3.9Å; F23-L65 HydrophobicContact CD2-CD2 4.2Å; F23-L65 HydrophobicContact CD2-CG 4.23Å; F23-L65 HydrophobicContact CE1-CD1 3.95Å; F23-L65 HydrophobicContact CE1-CD2 3.87Å; F23-L65 HydrophobicContact CE1-CG 3.86Å; F23-L65 HydrophobicContact CE2-CG 4.22Å; F23-L65 HydrophobicContact CG-CD2 3.6Å; F23-L65 HydrophobicContact CG-CG 4.09Å; F23-L65 HydrophobicContact CZ-CD1 4.24Å; F23-L65 HydrophobicContact CZ-CD2 4.45Å; F23-L65 HydrophobicContact CZ-CG 4.04Å
24A91.4Very high89.5Confident5 Ų549.9 Ų49.94%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-100.2120.216800000108.7V32 V59 F61A24-V32 PolarHBondContact N-O 2.89Å; A24-V59 HydrophobicContact CB-CG1 3.88Å; A24-F61 HydrophobicContact CB-CD1 3.68Å; A24-F61 HydrophobicContact CB-CE1 3.52Å
25L90.1Very high89.6Confident2 Ų249.2 Ų49.21%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-124.9132.9-177.1-58.9176.6000110.5F23 P31 V59 V60 V62 L65 K66F23-L25 HydrophobicContact CB-CG 4.42Å; L25-P31 HydrophobicContact CD2-CB 4.34Å; L25-V59 CarbonylContact O-C 3.55Å; L25-V59 VanDerWaalsContact O-CA 3.32Å; L25-V59 WeakPolarHBondContact O-CA 3.49Å; L25-V60 PolarHBondContact N-O 2.69Å; L25-V60 PolarHBondContact O-N 3.22Å; L25-V62 HydrophobicContact CD1-CG2 3.7Å; L25-V62 HydrophobicContact CG-CG2 4.28Å; L25-L65 HydrophobicContact CD1-CD2 4.23Å; L25-L65 HydrophobicContact CD2-CD2 4.11Å; L25-K66 WeakPolarHBondContact CD1-O 3.26Å
26G88.7Confident89.7Confident2 Ų246.6 Ų46.62%0.02125%0.248CC..  trans-112.7-175.1166.300000110.9C28 D29G26-C28 PolarHBondContact O-N 2.78Å; G26-D29 PolarHBondContact O-N 2.86Å
27K88Confident89.8Confident93 Ų9345.4 Ų45.440%0.40424%0.24SC..THydrogen-bonded Turntrans-51.1-19.7178.753.1163.5168.6153.90115.9E54 E55 L56 F68K27-E54 WeakPolarHBondContact CD-OE1 3.39Å; K27-E54 WeakPolarHBondContact CE-OE1 3.39Å; K27-E54 IonicContact NZ-OE1 3.24Å; K27-E54 PolarHBondContact NZ-OE1 2.72Å; K27-E55 WeakPolarHBondContact CE-O 3.33Å; K27-E55 PolarHBondContact NZ-O 3.23Å; K27-L56 HydrophobicContact CD-CD2 4.4Å; K27-L56 HydrophobicContact CG-CD2 3.44Å; K27-L56 VanDerWaalsContact CG-CD2 3.44Å; K27-F68 HydrophobicContact CB-CD1 4.28Å; K27-F68 HydrophobicContact CB-CE1 4.37Å
28C89.2Confident89.9Confident22 Ų2239.8 Ų39.815%0.14920%0.202CC..THydrogen-bonded Turntrans-85-2176.769.60000114.9G26 H30 E54 L56G26-C28 PolarHBondContact O-N 2.78Å; C28-H30 PolarHBondContact O-N 2.91Å; C28-H30 PolarHBondContact O-ND1 3.13Å; C28-E54 WeakPolarHBondContact CB-OE2 3.4Å; C28-L56 HydrophobicContact CB-CD2 4.2Å
29D88.1Confident90Very high62 Ų6237.8 Ų37.833%0.33219%0.192SC..  trans55.1-0.3179.8-75.1-20.7000118.9G26 T67 F68G26-D29 PolarHBondContact O-N 2.86Å; D29-T67 WeakPolarHBondContact OD2-CA 3.47Å; D29-T67 WeakPolarHBondContact OD2-CB 3.44Å; D29-T67 VanDerWaalsContact OD2-CG2 3.28Å; D29-T67 WeakPolarHBondContact OD2-CG2 3.48Å; D29-F68 WeakPolarHBondContact OD1-CB 3.43Å; D29-F68 PolarHBondContact OD1-N 3.21Å
30H89.6Confident90.1Very high68 Ų6833.6 Ų33.632%0.31517%0.169SC..  trans-61.7124.5175.2-6980.6000112.3C28 V51C28-H30 PolarHBondContact O-N 2.91Å; C28-H30 PolarHBondContact O-ND1 3.13Å; H30-V51 HydrophobicContact CB-CB 4.25Å; H30-V51 HydrophobicContact CB-CG2 4.2Å; H30-V51 VanDerWaalsContact CD2-CG1 3.43Å; H30-V51 WeakPolarHBondContact CD2-CG1 3.32Å
31P88.7Confident90.2Very high44 Ų4433.5 Ų33.529%0.28617%0.168SC..  trans-78.8128-178.631-34.6000112.7F23 L25 L65F23-P31 HydrophobicContact CD1-CB 4.05Å; L25-P31 HydrophobicContact CD2-CB 4.34Å; P31-L65 HydrophobicContact CB-CD2 4.01Å
32V91.4Very high90.3Very high13 Ų1328.7 Ų28.78%0.07914%0.143CC..EExtended strand (participates in β ladder)trans-134.9149.6173.21800000108.6L15 A24 C36L15-V32 HydrophobicContact CD1-CG1 3.57Å; L15-V32 HydrophobicContact CD1-CG2 4.43Å; L15-V32 HydrophobicContact CG-CG1 4.27Å; A24-V32 PolarHBondContact N-O 2.89Å; V32-C36 HydrophobicContact CG1-CB 3.92Å
33C92.2Very high90.2Very high8 Ų830.7 Ų30.75%0.05415%0.154CC..EExtended strand (participates in β ladder)trans-69.2148.3174.780.50000112C13 I20 R35 C36 S37C13-C33 HydrophobicContact CB-CB 3.88Å; C13-C33 PolarHBondContact SG-N 2.82Å; C13-C33 VanDerWaalsContact SG-N 3.37Å; I20-C33 HydrophobicContact CG1-CB 3.92Å; I20-C33 HydrophobicContact CG2-CB 4.22Å; C33-R35 PolarHBondContact O-N 3.18Å; C33-C36 PolarHBondContact O-N 3.35Å; C33-C36 PolarHBondContact SG-N 2.68Å; C33-S37 PolarHBondContact O-N 3.35Å
34Y91.3Very high90Very high30 Ų3032.4 Ų32.412%0.11817%0.167CC..Hα-helixtrans-55.9-33.4178.180.7-75.6000113.3I22 T38 F61 Q94 L98I22-Y34 HydrophobicContact CB-CD1 3.66Å; I22-Y34 HydrophobicContact CB-CE1 4.32Å; I22-Y34 HydrophobicContact CB-CG 3.98Å; I22-Y34 HydrophobicContact CD1-CD1 4.23Å; I22-Y34 HydrophobicContact CD1-CE1 4.23Å; I22-Y34 HydrophobicContact CD1-CG 4.39Å; I22-Y34 HydrophobicContact CG1-CD1 4.28Å; I22-Y34 HydrophobicContact CG1-CE1 4.48Å; I22-Y34 HydrophobicContact CG2-CG 4.37Å; I22-Y34 PolarHBondContact O-N 3.28Å; Y34-T38 VanDerWaalsContact O-CB 3.23Å; Y34-T38 WeakPolarHBondContact O-CB 3.42Å; Y34-T38 PolarHBondContact O-N 2.87Å; Y34-T38 PolarHBondContact O-OG1 3.17Å; Y34-F61 HydrophobicContact CD2-CE2 4.38Å; Y34-Q94 HydrophobicContact CE2-CB 4.05Å; Y34-Q94 PolarHBondContact OH-OE1 2.87Å; Y34-L98 HydrophobicContact CD2-CD1 3.78Å; Y34-L98 HydrophobicContact CE2-CD1 3.57Å; Y34-L98 HydrophobicContact CE2-CD2 4.22Å; Y34-L98 HydrophobicContact CE2-CG 3.97Å
35R91.8Very high89.9Confident77 Ų7736.9 Ų36.929%0.29119%0.19SC..Hα-helixtrans-62.2-50.6176.6-68.7-18066.1-172.8-4.3112C33 T38 K39 L98 Y143 E144C33-R35 PolarHBondContact O-N 3.18Å; R35-T38 PolarHBondContact O-N 3.45Å; R35-K39 WeakPolarHBondContact O-CB 3.48Å; R35-K39 PolarHBondContact O-N 2.65Å; R35-L98 HydrophobicContact CB-CD1 4.38Å; R35-L98 HydrophobicContact CG-CD1 3.92Å; R35-L98 HydrophobicContact CG-CD2 3.95Å; R35-Y143 PolarHBondContact NE-OH 3.13Å; R35-Y143 PolarHBondContact NH2-OH 2.86Å; R35-E144 IonicContact CZ-OE1 3.93Å; R35-E144 IonicContact NH2-OE1 3.56Å; R35-E144 PolarHBondContact NH2-OE1 2.83Å
36C91.5Very high89.9Confident18 Ų1840.2 Ų40.212%0.12221%0.205CC..Hα-helixtrans-69.2-40.2179.4-67.80000112.2L15 V32 C33 T38 K39 M40L15-C36 HydrophobicContact CB-CB 4.13Å; L15-C36 HydrophobicContact CD1-CB 3.88Å; V32-C36 HydrophobicContact CG1-CB 3.92Å; C33-C36 PolarHBondContact O-N 3.35Å; C33-C36 PolarHBondContact SG-N 2.68Å; C36-T38 VanDerWaalsContact C-N 3.28Å; C36-T38 PolarHBondContact O-N 3.14Å; C36-K39 WeakPolarHBondContact O-CB 3.03Å; C36-K39 PolarHBondContact O-N 2.9Å; C36-M40 PolarHBondContact O-N 3.45Å
37S91.4Very high89.9Confident13 Ų1344 Ų449%0.09122%0.221CC..Hα-helixtrans-63.2-35.1173.7-177.70000112.4C33 R41C33-S37 PolarHBondContact O-N 3.35Å; S37-R41 WeakPolarHBondContact O-CB 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.41Å; S37-R41 PolarHBondContact O-N 3.48Å; S37-R41 VanDerWaalsContact O-N 3.17Å
38T91.3Very high90.1Very high0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-68.9-43.6174-58.40000110.6Y34 R35 C36 M40 R41 V42 F61 Y95 L98 L99 F141Y34-T38 VanDerWaalsContact O-CB 3.23Å; Y34-T38 WeakPolarHBondContact O-CB 3.42Å; Y34-T38 PolarHBondContact O-N 2.87Å; Y34-T38 PolarHBondContact O-OG1 3.17Å; R35-T38 PolarHBondContact O-N 3.45Å; C36-T38 VanDerWaalsContact C-N 3.28Å; C36-T38 PolarHBondContact O-N 3.14Å; T38-M40 PolarHBondContact O-N 3Å; T38-R41 PolarHBondContact O-N 2.83Å; T38-V42 HydrophobicContact CG2-CB 4.28Å; T38-V42 HydrophobicContact CG2-CG2 3.94Å; T38-V42 VanDerWaalsContact O-CB 3.26Å; T38-V42 WeakPolarHBondContact O-CB 3.42Å; T38-V42 WeakPolarHBondContact O-CG2 3.43Å; T38-V42 PolarHBondContact O-N 3.37Å; T38-F61 WeakPolarHBondContact OG1-CZ 3.46Å; T38-Y95 HydrophobicContact CG2-CD2 3.9Å; T38-Y95 HydrophobicContact CG2-CE2 3.74Å; T38-L98 HydrophobicContact CG2-CD1 4.16Å; T38-L99 HydrophobicContact CG2-CD2 4.01Å; T38-F141 HydrophobicContact CG2-CE1 3.77Å; T38-F141 HydrophobicContact CG2-CZ 3.83Å
39K90.9Very high90.2Very high62 Ų6243.6 Ų43.627%0.2722%0.216SC..Iπ-helixtrans-57.3-49.8178.4-169.6160.6-173.9161.60111.4R35 C36 L43 C44 K139 F141 E144R35-K39 WeakPolarHBondContact O-CB 3.48Å; R35-K39 PolarHBondContact O-N 2.65Å; C36-K39 WeakPolarHBondContact O-CB 3.03Å; C36-K39 PolarHBondContact O-N 2.9Å; K39-L43 HydrophobicContact CG-CD1 4.35Å; K39-L43 WeakPolarHBondContact O-CA 3.47Å; K39-L43 WeakPolarHBondContact O-CB 3.35Å; K39-L43 PolarHBondContact O-N 3.06Å; K39-C44 PolarHBondContact O-N 2.82Å; K39-K139 WeakPolarHBondContact CE-O 3.35Å; K39-F141 HydrophobicContact CB-CE2 3.86Å; K39-F141 HydrophobicContact CB-CZ 3.94Å; K39-F141 HydrophobicContact CD-CE2 4.2Å; K39-F141 HydrophobicContact CG-CE2 4.26Å; K39-E144 IonicContact NZ-OE2 2.75Å; K39-E144 PolarHBondContact NZ-OE2 3.26Å
40M90.3Very high90.2Very high30 Ų3042.2 Ų42.215%0.14821%0.213CC..Iπ-helixtrans-62.8-50.8177.8-69.4-174.971.900112.5L15 C36 T38 C44 D45 Q46 Y48 A50L15-M40 HydrophobicContact CD1-SD 4.2Å; C36-M40 PolarHBondContact O-N 3.45Å; T38-M40 PolarHBondContact O-N 3Å; M40-C44 CarbonylContact O-C 3.08Å; M40-C44 WeakPolarHBondContact O-CB 3.33Å; M40-C44 PolarHBondContact O-N 3.48Å; M40-D45 PolarHBondContact O-N 2.91Å; M40-D45 VanDerWaalsContact O-N 3.11Å; M40-Q46 HydrophobicContact CB-CB 4.28Å; M40-Q46 HydrophobicContact CE-CB 4.07Å; M40-Q46 PolarHBondContact O-N 2.82Å; M40-Y48 HydrophobicContact CE-CD2 4.04Å; M40-Y48 HydrophobicContact CE-CE2 3.52Å; M40-A50 HydrophobicContact CE-CB 4.18Å; M40-A50 HydrophobicContact SD-CB 3.8Å
41R90.6Very high90.2Very high10 Ų1042.4 Ų42.44%0.03822%0.219CC..Iπ-helixtrans-72.5-36-175.4-71.7-177.4178.3-86.1-30.2114.8S37 T38 K47 L56 V59S37-R41 WeakPolarHBondContact O-CB 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.41Å; S37-R41 PolarHBondContact O-N 3.48Å; S37-R41 VanDerWaalsContact O-N 3.17Å; T38-R41 PolarHBondContact O-N 2.83Å; R41-K47 PolarHBondContact NH2-O 3.38Å; R41-L56 VanDerWaalsContact CZ-O 3.29Å; R41-L56 PolarHBondContact NH1-O 3.1Å; R41-L56 PolarHBondContact NH2-O 2.63Å; R41-V59 VanDerWaalsContact CZ-CG2 3.5Å
42V89.4Confident90.3Very high26 Ų2643 Ų4316%0.15822%0.223CC..Iπ-helixtrans-104.5-29.2-168.3-173.90000112.4T38 Y82 I84 Y95 L99T38-V42 HydrophobicContact CG2-CB 4.28Å; T38-V42 HydrophobicContact CG2-CG2 3.94Å; T38-V42 VanDerWaalsContact O-CB 3.26Å; T38-V42 WeakPolarHBondContact O-CB 3.42Å; T38-V42 WeakPolarHBondContact O-CG2 3.43Å; T38-V42 PolarHBondContact O-N 3.37Å; V42-Y82 HydrophobicContact CB-CE1 4.42Å; V42-Y82 HydrophobicContact CG1-CE1 4.19Å; V42-Y82 HydrophobicContact CG1-CE2 3.93Å; V42-Y82 HydrophobicContact CG2-CD1 4.09Å; V42-Y82 HydrophobicContact CG2-CD2 3.9Å; V42-Y82 HydrophobicContact CG2-CE1 4.34Å; V42-Y82 HydrophobicContact CG2-CE2 4.14Å; V42-Y82 HydrophobicContact CG2-CG 3.88Å; V42-I84 HydrophobicContact CG2-CD1 4.39Å; V42-Y95 HydrophobicContact CG2-CE2 4.25Å; V42-L99 HydrophobicContact CB-CD2 4.27Å; V42-L99 HydrophobicContact CG1-CD1 4.12Å; V42-L99 HydrophobicContact CG1-CD2 3.64Å
43L87.5Confident90.2Very high46 Ų4651.2 Ų51.224%0.24125%0.253CS..Iπ-helixtrans-105.3-26180-52.6-174.4000113.6K39 K139 I140 F141K39-L43 HydrophobicContact CG-CD1 4.35Å; K39-L43 WeakPolarHBondContact O-CA 3.47Å; K39-L43 WeakPolarHBondContact O-CB 3.35Å; K39-L43 PolarHBondContact O-N 3.06Å; L43-K139 HydrophobicContact CB-CB 4.02Å; L43-K139 WeakPolarHBondContact O-CB 3.43Å; L43-K139 WeakPolarHBondContact O-CD 3.28Å; L43-K139 WeakPolarHBondContact O-CG 3.45Å; L43-I140 VanDerWaalsContact CD1-C 3.47Å; L43-F141 HydrophobicContact CD1-CB 4.45Å; L43-F141 HydrophobicContact CD1-CD1 3.67Å; L43-F141 HydrophobicContact CD1-CD2 4.23Å; L43-F141 HydrophobicContact CD1-CE1 3.89Å; L43-F141 HydrophobicContact CD1-CE2 4.43Å; L43-F141 HydrophobicContact CD1-CG 3.84Å; L43-F141 HydrophobicContact CD1-CZ 4.27Å; L43-F141 HydrophobicContact CG-CD1 4.35Å; L43-F141 HydrophobicContact CG-CE1 4.24Å
44C87Confident90.2Very high50 Ų5054.7 Ų54.734%0.33827%0.268SS..SBendtrans-109.6-6.4178.7-52.60000114.2K39 M40 Q46K39-C44 PolarHBondContact O-N 2.82Å; M40-C44 CarbonylContact O-C 3.08Å; M40-C44 WeakPolarHBondContact O-CB 3.33Å; M40-C44 PolarHBondContact O-N 3.48Å; C44-Q46 HydrophobicContact CB-CB 4.33Å; C44-Q46 HydrophobicContact CB-CG 3.97Å; C44-Q46 PolarHBondContact O-N 2.9Å; C44-Q46 VanDerWaalsContact O-N 3.16Å
45D88.2Confident90.2Very high99 Ų9959.1 Ų59.153%0.52929%0.29SS..  trans46.231.3-167-159.621.3000115.6M40 K47M40-D45 PolarHBondContact O-N 2.91Å; M40-D45 VanDerWaalsContact O-N 3.11Å; D45-K47 IonicContact OD1-NZ 2.79Å; D45-K47 PolarHBondContact OD1-NZ 3.49Å; D45-K47 IonicContact OD2-NZ 3.72Å; D45-K47 PolarHBondContact OD2-NZ 2.77Å; D45-K47 VanDerWaalsContact OD2-NZ 3.1Å
46Q90.2Very high90Very high71 Ų7155.9 Ų55.933%0.33228%0.278SS..  trans-90.1109.6179-73.4171.3-6.600110.1M40 C44 Y48M40-Q46 HydrophobicContact CB-CB 4.28Å; M40-Q46 HydrophobicContact CE-CB 4.07Å; M40-Q46 PolarHBondContact O-N 2.82Å; C44-Q46 HydrophobicContact CB-CB 4.33Å; C44-Q46 HydrophobicContact CB-CG 3.97Å; C44-Q46 PolarHBondContact O-N 2.9Å; C44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-Y48 HydrophobicContact CB-CD1 4.25Å; Q46-Y48 HydrophobicContact CB-CE1 3.83Å; Q46-Y48 HydrophobicContact CG-CE1 3.74Å; Q46-Y48 PolarHBondContact OE1-OH 2.94Å
47K90.2Very high89.9Confident81 Ų8159.5 Ų59.535%0.35230%0.296SS..  trans-90.9-2.9-177.1-60.5179.3-178.566.80113.9R41 D45 L56R41-K47 PolarHBondContact NH2-O 3.38Å; D45-K47 IonicContact OD1-NZ 2.79Å; D45-K47 PolarHBondContact OD1-NZ 3.49Å; D45-K47 IonicContact OD2-NZ 3.72Å; D45-K47 PolarHBondContact OD2-NZ 2.77Å; D45-K47 VanDerWaalsContact OD2-NZ 3.1Å; K47-L56 WeakPolarHBondContact O-CA 3.49Å; K47-L56 WeakPolarHBondContact O-CB 3.32Å; K47-L56 PolarHBondContact O-N 2.82Å
48Y92.1Very high89.8Confident102 Ų10262.6 Ų62.640%0.431%0.308SS..BIsolated β-bridgetrans-83.6156.7178.962.1-99.9000113.8M40 Q46 E54M40-Y48 HydrophobicContact CE-CD2 4.04Å; M40-Y48 HydrophobicContact CE-CE2 3.52Å; Q46-Y48 HydrophobicContact CB-CD1 4.25Å; Q46-Y48 HydrophobicContact CB-CE1 3.83Å; Q46-Y48 HydrophobicContact CG-CE1 3.74Å; Q46-Y48 PolarHBondContact OE1-OH 2.94Å; Y48-E54 CarbonylContact C-O 3.56Å; Y48-E54 WeakPolarHBondContact CA-O 3.33Å
49C90.9Very high89.7Confident6 Ų662.8 Ų62.84%0.04131%0.309CS..  trans-71.2126170.3-1790000110.8V51 C52 R53 E54 L56C49-V51 PolarHBondContact O-N 2.8Å; C49-C52 VanDerWaalsContact CB-SG 3.54Å; C49-C52 PolarHBondContact SG-SG 2.81Å; C49-R53 WeakPolarHBondContact O-CA 3.17Å; C49-R53 PolarHBondContact O-N 2.94Å; C49-E54 PolarHBondContact N-O 2.77Å; C49-L56 HydrophobicContact CB-CD1 3.69Å; C49-L56 HydrophobicContact CB-CG 4.08Å
50A87.8Confident89.7Confident33 Ų3359.8 Ų59.827%0.27330%0.296SS..THydrogen-bonded Turntrans-62.9-23.9-179.800000114.4L15 M40L15-A50 HydrophobicContact CD1-CB 3.5Å; L15-A50 HydrophobicContact CD2-CB 3.59Å; L15-A50 HydrophobicContact CG-CB 4.12Å; M40-A50 HydrophobicContact CE-CB 4.18Å; M40-A50 HydrophobicContact SD-CB 3.8Å
51V89.3Confident89.8Confident72 Ų7258.4 Ų58.444%0.43629%0.289SS..THydrogen-bonded Turntrans-88.5-54.3-175.9-168.20000112V14 H30 C49V14-V51 HydrophobicContact CG2-CG2 3.75Å; H30-V51 HydrophobicContact CB-CB 4.25Å; H30-V51 HydrophobicContact CB-CG2 4.2Å; H30-V51 VanDerWaalsContact CD2-CG1 3.43Å; H30-V51 WeakPolarHBondContact CD2-CG1 3.32Å; C49-V51 PolarHBondContact O-N 2.8Å
52C90.2Very high89.7Confident55 Ų5558 Ų5837%0.37229%0.288SS..THydrogen-bonded Turntrans-102.7-3.2-17658.40000114.7C49 E54C49-C52 VanDerWaalsContact CB-SG 3.54Å; C49-C52 PolarHBondContact SG-SG 2.81Å; C52-E54 PolarHBondContact O-N 2.97Å; C52-E54 VanDerWaalsContact O-N 3.07Å
53R91.3Very high89.6Confident187 Ų18761.5 Ų61.571%0.70630%0.301SS*.  trans60.17.7-177.2-55.4-177.1-177-179.60.7115.9C49C49-R53 WeakPolarHBondContact O-CA 3.17Å; C49-R53 PolarHBondContact O-N 2.94Å
54E91.6Very high89.4Confident80 Ų8067.2 Ų67.237%0.37432%0.324SS..  trans-62.7135.7172.1-163.3-170.2172.700110.6K27 C28 Y48 C49 C52 L56K27-E54 WeakPolarHBondContact CD-OE1 3.39Å; K27-E54 WeakPolarHBondContact CE-OE1 3.39Å; K27-E54 IonicContact NZ-OE1 3.24Å; K27-E54 PolarHBondContact NZ-OE1 2.72Å; C28-E54 WeakPolarHBondContact CB-OE2 3.4Å; Y48-E54 CarbonylContact C-O 3.56Å; Y48-E54 WeakPolarHBondContact CA-O 3.33Å; C49-E54 PolarHBondContact N-O 2.77Å; C52-E54 PolarHBondContact O-N 2.97Å; C52-E54 VanDerWaalsContact O-N 3.07Å; E54-L56 PolarHBondContact O-N 2.82Å
55E90.9Very high89.1Confident124 Ų12468.3 Ų68.358%0.57933%0.326SS*.BIsolated β-bridgetrans-66.7130.2172.4-177162-144.700110.8K27K27-E55 WeakPolarHBondContact CE-O 3.33Å; K27-E55 PolarHBondContact NZ-O 3.23Å
56L88.4Confident88.7Confident9 Ų969.5 Ų69.55%0.04733%0.327CS..  trans-119.897.9-175-68.3-178.9000110.5K27 C28 R41 K47 C49 E54 K58 V59K27-L56 HydrophobicContact CD-CD2 4.4Å; K27-L56 HydrophobicContact CG-CD2 3.44Å; K27-L56 VanDerWaalsContact CG-CD2 3.44Å; C28-L56 HydrophobicContact CB-CD2 4.2Å; R41-L56 VanDerWaalsContact CZ-O 3.29Å; R41-L56 PolarHBondContact NH1-O 3.1Å; R41-L56 PolarHBondContact NH2-O 2.63Å; K47-L56 WeakPolarHBondContact O-CA 3.49Å; K47-L56 WeakPolarHBondContact O-CB 3.32Å; K47-L56 PolarHBondContact O-N 2.82Å; C49-L56 HydrophobicContact CB-CD1 3.69Å; C49-L56 HydrophobicContact CB-CG 4.08Å; E54-L56 PolarHBondContact O-N 2.82Å; L56-K58 PolarHBondContact O-N 2.67Å; L56-V59 HydrophobicContact CB-CG2 4.43Å; L56-V59 HydrophobicContact CD1-CG2 4.17Å
57D88.2Confident88.4Confident94 Ų9469.7 Ų69.750%0.50333%0.333SS..SBendtrans-59.6-32179.3-47.6-85.4000113.2N83D57-N83 WeakPolarHBondContact O-CB 3.5Å; D57-N83 PolarHBondContact O-ND2 3.5Å
58K88.8Confident88.1Confident78 Ų7867 Ų6734%0.33932%0.321SS..  trans-139.2141.1-172.3-59.8-178.8-176.1-178.40110.2L56 F68 Y73 N83 Y85L56-K58 PolarHBondContact O-N 2.67Å; K58-F68 HydrophobicContact CB-CE2 4.49Å; K58-F68 HydrophobicContact CB-CZ 4.14Å; K58-Y73 HydrophobicContact CD-CE2 4.45Å; K58-N83 WeakPolarHBondContact CA-O 3.26Å; K58-N83 HydrophobicContact CG-CB 4.5Å; K58-Y85 HydrophobicContact CB-CD2 4.45Å; K58-Y85 HydrophobicContact CB-CE2 3.98Å; K58-Y85 HydrophobicContact CD-CE2 3.9Å; K58-Y85 HydrophobicContact CG-CE2 3.94Å
59V90.1Very high87.5Confident3 Ų371 Ų712%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-133.9140.1172.6162.60000109.9A24 L25 R41 L56 F61 N83 I84 Y85A24-V59 HydrophobicContact CB-CG1 3.88Å; L25-V59 CarbonylContact O-C 3.55Å; L25-V59 VanDerWaalsContact O-CA 3.32Å; L25-V59 WeakPolarHBondContact O-CA 3.49Å; R41-V59 VanDerWaalsContact CZ-CG2 3.5Å; L56-V59 HydrophobicContact CB-CG2 4.43Å; L56-V59 HydrophobicContact CD1-CG2 4.17Å; V59-F61 HydrophobicContact CG1-CD1 3.89Å; V59-F61 HydrophobicContact CG1-CE1 3.72Å; V59-N83 PolarHBondContact N-O 3.07Å; V59-N83 VanDerWaalsContact N-O 3.13Å; V59-I84 CarbonylContact O-C 3.52Å; V59-I84 WeakPolarHBondContact O-CA 3.43Å; V59-Y85 PolarHBondContact O-N 2.84Å
60V90.4Very high87.1Confident0 Ų073.7 Ų73.70%037%0.366CS..EExtended strand (participates in β ladder)trans-111.1133.2176.4-166.60000109.4L25 V62 F68 L71 Y73 F76 Y85 V87L25-V60 PolarHBondContact N-O 2.69Å; L25-V60 PolarHBondContact O-N 3.22Å; V60-V62 HydrophobicContact CB-CG1 4.34Å; V60-V62 HydrophobicContact CG1-CG1 3.88Å; V60-F68 HydrophobicContact CG2-CD2 4.06Å; V60-F68 HydrophobicContact CG2-CE2 3.81Å; V60-L71 HydrophobicContact CB-CD1 4.01Å; V60-L71 HydrophobicContact CG1-CD1 4.05Å; V60-L71 HydrophobicContact CG2-CD1 4.26Å; V60-Y73 HydrophobicContact CG2-CG 4.47Å; V60-F76 HydrophobicContact CG1-CD2 3.87Å; V60-F76 HydrophobicContact CG1-CE2 3.98Å; V60-Y85 CarbonylContact C-O 3.6Å; V60-Y85 WeakPolarHBondContact CA-O 3.23Å; V60-V87 HydrophobicContact CG1-CG2 4.19Å
61F91.9Very high86.8Confident0 Ų072.7 Ų72.70%036%0.356CS..EExtended strand (participates in β ladder)trans-94.9117.5174-73.66.9000110.1I22 F23 A24 Y34 T38 V59 I84 Y85 F86 V87 Y95I22-F61 HydrophobicContact CG2-CB 3.89Å; I22-F61 HydrophobicContact CG2-CG 4.46Å; F23-F61 CarbonylContact O-C 3.49Å; F23-F61 WeakPolarHBondContact O-CA 3.43Å; A24-F61 HydrophobicContact CB-CD1 3.68Å; A24-F61 HydrophobicContact CB-CE1 3.52Å; Y34-F61 HydrophobicContact CD2-CE2 4.38Å; T38-F61 WeakPolarHBondContact OG1-CZ 3.46Å; V59-F61 HydrophobicContact CG1-CD1 3.89Å; V59-F61 HydrophobicContact CG1-CE1 3.72Å; F61-I84 HydrophobicContact CD1-CG2 3.89Å; F61-I84 HydrophobicContact CD2-CG2 4.07Å; F61-I84 HydrophobicContact CE1-CG2 3.69Å; F61-I84 HydrophobicContact CE2-CG2 3.88Å; F61-I84 HydrophobicContact CG-CG2 4.07Å; F61-I84 HydrophobicContact CZ-CD1 4.26Å; F61-I84 HydrophobicContact CZ-CG2 3.68Å; F61-Y85 PolarHBondContact N-O 2.86Å; F61-F86 HydrophobicContact CB-CD1 4.11Å; F61-F86 AromaticContact CD2-CD1 3.76Å; F61-F86 HydrophobicContact CD2-CD1 3.76Å; F61-F86 AromaticContact CD2-CE1 3.5Å; F61-F86 HydrophobicContact CD2-CE1 3.5Å; F61-F86 VanDerWaalsContact CD2-CE1 3.5Å; F61-F86 AromaticContact CE2-CE1 3.84Å; F61-F86 HydrophobicContact CE2-CE1 3.84Å; F61-F86 HydrophobicContact CG-CD1 4.21Å; F61-F86 HydrophobicContact CG-CE1 4.22Å; F61-V87 VanDerWaalsContact O-CG2 3.32Å; F61-V87 WeakPolarHBondContact O-CG2 3.35Å; F61-V87 PolarHBondContact O-N 2.94Å; F61-Y95 AromaticContact CE2-CD2 3.81Å; F61-Y95 HydrophobicContact CE2-CD2 3.81Å; F61-Y95 HydrophobicContact CE2-CG 4.31Å; F61-Y95 HydrophobicContact CZ-CD2 4.42Å
62V89.6Confident86.4Confident3 Ų372.3 Ų72.32%0.01836%0.355CS..EExtended strand (participates in β ladder)trans-127.8144.4-172.3-48.50000111.6F23 L25 V60 K64 L71 V87F23-V62 HydrophobicContact CB-CG2 3.85Å; F23-V62 PolarHBondContact N-O 3.49Å; F23-V62 PolarHBondContact O-N 3.21Å; L25-V62 HydrophobicContact CD1-CG2 3.7Å; L25-V62 HydrophobicContact CG-CG2 4.28Å; V60-V62 HydrophobicContact CB-CG1 4.34Å; V60-V62 HydrophobicContact CG1-CG1 3.88Å; V62-K64 VanDerWaalsContact CG2-O 3.26Å; V62-K64 WeakPolarHBondContact CG2-O 3.46Å; V62-L71 HydrophobicContact CG1-CD1 3.63Å; V62-L71 HydrophobicContact CG1-CD2 4.07Å; V62-V87 HydrophobicContact CB-CG2 4.15Å; V62-V87 HydrophobicContact CG1-CG2 3.71Å
63K87.1Confident85.6Confident98 Ų9872.2 Ų72.243%0.42635%0.348SS..SBendtrans-84.5-13.2173.1-71.1177.3178.6157.60114.4D88 T91K63-D88 VanDerWaalsContact CD-OD2 3.26Å; K63-D88 WeakPolarHBondContact CD-OD2 3.46Å; K63-D88 WeakPolarHBondContact CE-OD2 3.34Å; K63-D88 IonicContact NZ-OD2 3.73Å; K63-D88 PolarHBondContact NZ-OD2 3.11Å; K63-T91 HydrophobicContact CG-CG2 4.16Å
64K82.9Confident84.9Confident166 Ų16671.1 Ų71.172%0.72235%0.35SS*.SBendtrans-138.5130-178.9-66.1-176.4179.7179.80108.5V62 K66V62-K64 VanDerWaalsContact CG2-O 3.26Å; V62-K64 WeakPolarHBondContact CG2-O 3.46Å; K64-K66 PolarHBondContact O-N 3.39Å
65L80.9Confident84.3Confident74 Ų7475.1 Ų75.139%0.38737%0.369SS..  trans-57.7129.5176.9-70.3173.5000111E10 F23 L25 P31E10-L65 HydrophobicContact CB-CD1 4.39Å; F23-L65 HydrophobicContact CB-CD2 4Å; F23-L65 HydrophobicContact CD1-CD1 4.35Å; F23-L65 HydrophobicContact CD1-CD2 3.4Å; F23-L65 VanDerWaalsContact CD1-CD2 3.4Å; F23-L65 HydrophobicContact CD1-CG 3.9Å; F23-L65 HydrophobicContact CD2-CD2 4.2Å; F23-L65 HydrophobicContact CD2-CG 4.23Å; F23-L65 HydrophobicContact CE1-CD1 3.95Å; F23-L65 HydrophobicContact CE1-CD2 3.87Å; F23-L65 HydrophobicContact CE1-CG 3.86Å; F23-L65 HydrophobicContact CE2-CG 4.22Å; F23-L65 HydrophobicContact CG-CD2 3.6Å; F23-L65 HydrophobicContact CG-CG 4.09Å; F23-L65 HydrophobicContact CZ-CD1 4.24Å; F23-L65 HydrophobicContact CZ-CD2 4.45Å; F23-L65 HydrophobicContact CZ-CG 4.04Å; L25-L65 HydrophobicContact CD1-CD2 4.23Å; L25-L65 HydrophobicContact CD2-CD2 4.11Å; P31-L65 HydrophobicContact CB-CD2 4.01Å
66K79.9Confident83.8Confident124 Ų12470.9 Ų70.954%0.53935%0.349SS..  trans-153.1148.4174.1-71.1-174.1174.2-173.30106.6L25 K64 L71L25-K66 WeakPolarHBondContact CD1-O 3.26Å; K64-K66 PolarHBondContact O-N 3.39Å; K66-L71 HydrophobicContact CB-CD2 3.99Å; K66-L71 HydrophobicContact CB-CG 4.41Å; K66-L71 HydrophobicContact CD-CD2 3.87Å
67T83.3Confident83.4Confident74 Ų7473.6 Ų73.645%0.45437%0.367SS..  trans-62.6144.5173.755.80000110.9D29 Q69 A70D29-T67 WeakPolarHBondContact OD2-CA 3.47Å; D29-T67 WeakPolarHBondContact OD2-CB 3.44Å; D29-T67 VanDerWaalsContact OD2-CG2 3.28Å; D29-T67 WeakPolarHBondContact OD2-CG2 3.48Å; T67-Q69 PolarHBondContact O-N 3.37Å; T67-A70 PolarHBondContact O-N 3.15Å; T67-A70 WeakPolarHBondContact OG1-CB 3.44Å
68F83.4Confident83.1Confident25 Ų2573.5 Ų73.511%0.1136%0.362CS..G310 helixtrans-56.6-36.6-177.1179.3-87.7000112K27 D29 K58 V60 A70 L71 Y73K27-F68 HydrophobicContact CB-CD1 4.28Å; K27-F68 HydrophobicContact CB-CE1 4.37Å; D29-F68 WeakPolarHBondContact OD1-CB 3.43Å; D29-F68 PolarHBondContact OD1-N 3.21Å; K58-F68 HydrophobicContact CB-CE2 4.49Å; K58-F68 HydrophobicContact CB-CZ 4.14Å; V60-F68 HydrophobicContact CG2-CD2 4.06Å; V60-F68 HydrophobicContact CG2-CE2 3.81Å; F68-A70 VanDerWaalsContact C-N 3.27Å; F68-A70 PolarHBondContact O-N 3.19Å; F68-L71 PolarHBondContact O-N 3.21Å; F68-Y73 HydrophobicContact CE1-CD1 4.43Å; F68-Y73 HydrophobicContact CE1-CE1 4.07Å; F68-Y73 HydrophobicContact CZ-CD1 4.47Å; F68-Y73 HydrophobicContact CZ-CE1 4.4Å
69Q81.4Confident82.8Confident185 Ų18571.2 Ų71.286%0.86435%0.353SS*.G310 helixtrans-66.7-24.9176.1-167.3177.614.300113.4T67T67-Q69 PolarHBondContact O-N 3.37Å
70A82Confident82.4Confident63 Ų6379 Ų7952%0.52139%0.386SS..G310 helixtrans-91.97.3179.100000113.7T67 F68T67-A70 PolarHBondContact O-N 3.15Å; T67-A70 WeakPolarHBondContact OG1-CB 3.44Å; F68-A70 VanDerWaalsContact C-N 3.27Å; F68-A70 PolarHBondContact O-N 3.19Å
71L81.5Confident82Confident12 Ų1287.6 Ų87.66%0.06342%0.419CS..SBendtrans-100.8127.6176.9-65.3171.9000110.4V60 V62 K66 F68 Y73 F76V60-L71 HydrophobicContact CB-CD1 4.01Å; V60-L71 HydrophobicContact CG1-CD1 4.05Å; V60-L71 HydrophobicContact CG2-CD1 4.26Å; V62-L71 HydrophobicContact CG1-CD1 3.63Å; V62-L71 HydrophobicContact CG1-CD2 4.07Å; K66-L71 HydrophobicContact CB-CD2 3.99Å; K66-L71 HydrophobicContact CB-CG 4.41Å; K66-L71 HydrophobicContact CD-CD2 3.87Å; F68-L71 PolarHBondContact O-N 3.21Å; L71-Y73 VanDerWaalsContact O-CD1 3.31Å; L71-Y73 WeakPolarHBondContact O-CD1 3.43Å; L71-Y73 PolarHBondContact O-N 3.2Å; L71-F76 HydrophobicContact CB-CE2 4.47Å
72P79.7Confident81.6Confident65 Ų6590.5 Ų90.542%0.42243%0.43SS..  trans-76.953.9175.333.6-36.4000111.6Q74 Q75 F76P72-Q74 PolarHBondContact O-N 3.21Å; P72-Q75 PolarHBondContact O-N 3.19Å; P72-F76 HydrophobicContact CG-CE1 4.07Å; P72-F76 HydrophobicContact CG-CZ 3.79Å
73Y73.9Confident81.5Confident53 Ų5393.5 Ų93.521%0.20845%0.446CS..G310 helixtrans-59.4-20.2-169.864.3-99.3000114.4K58 V60 F68 L71 Q75 F76 Y85K58-Y73 HydrophobicContact CD-CE2 4.45Å; V60-Y73 HydrophobicContact CG2-CG 4.47Å; F68-Y73 HydrophobicContact CE1-CD1 4.43Å; F68-Y73 HydrophobicContact CE1-CE1 4.07Å; F68-Y73 HydrophobicContact CZ-CD1 4.47Å; F68-Y73 HydrophobicContact CZ-CE1 4.4Å; L71-Y73 VanDerWaalsContact O-CD1 3.31Å; L71-Y73 WeakPolarHBondContact O-CD1 3.43Å; L71-Y73 PolarHBondContact O-N 3.2Å; Y73-Q75 PolarHBondContact O-N 3Å; Y73-F76 PolarHBondContact O-N 3.35Å; Y73-Y85 HydrophobicContact CD2-CE1 4.37Å; Y73-Y85 WeakPolarHBondContact O-CD1 3.46Å
74Q76.6Confident81.6Confident163 Ų16388.8 Ų88.876%0.76243%0.426SS*.G310 helixtrans-65.9-21175.9-61.8173.7-5.300113.3P72P72-Q74 PolarHBondContact O-N 3.21Å
75Q78.1Confident81.9Confident165 Ų16582 Ų8277%0.77140%0.396SS*.G310 helixtrans-97-4.4179.8-62.8175.8-9.200112.9P72 Y73P72-Q75 PolarHBondContact O-N 3.19Å; Y73-Q75 PolarHBondContact O-N 3Å
76F82.4Confident82.3Confident34 Ų3478.5 Ų78.515%0.14938%0.377CS..SBendtrans-89.9143.6-174.2-66-19.8000112.3V60 L71 P72 Y73 F78 F86 V87V60-F76 HydrophobicContact CG1-CD2 3.87Å; V60-F76 HydrophobicContact CG1-CE2 3.98Å; L71-F76 HydrophobicContact CB-CE2 4.47Å; P72-F76 HydrophobicContact CG-CE1 4.07Å; P72-F76 HydrophobicContact CG-CZ 3.79Å; Y73-F76 PolarHBondContact O-N 3.35Å; F76-F78 PolarHBondContact O-N 2.97Å; F76-F86 WeakPolarHBondContact CB-O 3.11Å; F76-V87 HydrophobicContact CD2-CG2 4.1Å; F76-V87 HydrophobicContact CE2-CB 4.42Å; F76-V87 HydrophobicContact CE2-CG2 3.56Å; F76-V87 HydrophobicContact CZ-CB 4.42Å; F76-V87 HydrophobicContact CZ-CG1 4.38Å; F76-V87 HydrophobicContact CZ-CG2 3.84Å
77P78.3Confident82.7Confident67 Ų6774.9 Ų74.944%0.43537%0.365SS..  trans-50.1138.7165.1-26.534.5000111.3F86P77-F86 WeakPolarHBondContact O-CD2 3.43Å; P77-F86 PolarHBondContact O-N 3.17Å
78F82.2Confident82.8Confident91 Ų9174 Ų7440%0.39936%0.358SS..EExtended strand (participates in β ladder)trans-145.1143.2-176.379.6-77.6000114F76 K80 I84 Y85F76-F78 PolarHBondContact O-N 2.97Å; F78-K80 HydrophobicContact CD2-CG 4.19Å; F78-K80 HydrophobicContact CE2-CB 4.35Å; F78-K80 HydrophobicContact CE2-CG 3.55Å; F78-K80 HydrophobicContact CZ-CG 3.84Å; F78-K80 PolarHBondContact O-N 2.97Å; F78-I84 CarbonylContact C-O 3.41Å; F78-I84 WeakPolarHBondContact CA-O 3.2Å; F78-I84 WeakPolarHBondContact CB-O 3.29Å; F78-Y85 HydrophobicContact CB-CD1 3.42Å; F78-Y85 VanDerWaalsContact CB-CD1 3.42Å; F78-Y85 HydrophobicContact CB-CD2 4.49Å; F78-Y85 HydrophobicContact CB-CE1 3.7Å; F78-Y85 HydrophobicContact CB-CG 3.86Å; F78-Y85 HydrophobicContact CD1-CE1 4.22Å; F78-Y85 HydrophobicContact CD2-CE1 4.13Å; F78-Y85 HydrophobicContact CG-CD1 4.04Å; F78-Y85 AromaticContact CG-CE1 3.79Å; F78-Y85 HydrophobicContact CG-CE1 3.79Å
79E83.5Confident82.9Confident30 Ų3079.9 Ų79.914%0.1439%0.386CS..EExtended strand (participates in β ladder)trans-87.3101.6175177.265.7-154.100109.3R81 Y82 N83 I84 F86 Y95E79-R81 PolarHBondContact O-N 3.25Å; E79-R81 IonicContact OE1-CZ 3.48Å; E79-R81 VanDerWaalsContact OE1-CZ 3.24Å; E79-R81 IonicContact OE1-NE 1.75Å; E79-R81 PolarHBondContact OE1-NE 3.3Å; E79-R81 IonicContact OE1-NH2 3.23Å; E79-R81 PolarHBondContact OE1-NH2 3.01Å; E79-Y82 HydrophobicContact CG-CD2 3.8Å; E79-Y82 PolarHBondContact O-N 3.5Å; E79-N83 PolarHBondContact O-N 3.36Å; E79-N83 VanDerWaalsContact O-N 3.09Å; E79-I84 PolarHBondContact N-O 2.9Å; E79-F86 HydrophobicContact CB-CE2 4.11Å; E79-F86 HydrophobicContact CB-CZ 4.47Å; E79-Y95 HydrophobicContact CB-CE1 4.29Å; E79-Y95 HydrophobicContact CG-CE1 4.31Å
80K81.6Confident83.2Confident166 Ų16676.8 Ų76.872%0.72237%0.373SS*.THydrogen-bonded Turntrans-52.4-29.2-175.4-70.5179.4177.4-178.90114.9F78F78-K80 HydrophobicContact CD2-CG 4.19Å; F78-K80 HydrophobicContact CE2-CB 4.35Å; F78-K80 HydrophobicContact CE2-CG 3.55Å; F78-K80 HydrophobicContact CZ-CG 3.84Å; F78-K80 PolarHBondContact O-N 2.97Å
81R80.8Confident83.5Confident182 Ų18273.8 Ų73.869%0.68735%0.348SS*.THydrogen-bonded Turntrans-76.7-27.5-175.9-69.9-180-66.1174.3-0.6114.5E79E79-R81 PolarHBondContact O-N 3.25Å; E79-R81 IonicContact OE1-CZ 3.48Å; E79-R81 VanDerWaalsContact OE1-CZ 3.24Å; E79-R81 IonicContact OE1-NE 1.75Å; E79-R81 PolarHBondContact OE1-NE 3.3Å; E79-R81 IonicContact OE1-NH2 3.23Å; E79-R81 PolarHBondContact OE1-NH2 3.01Å
82Y84.1Confident83.7Confident61 Ų6174.6 Ų74.624%0.23935%0.352CS..THydrogen-bonded Turntrans-1242.5-174.2-52.7-71.4000113.3V42 E79 I84 Y95V42-Y82 HydrophobicContact CB-CE1 4.42Å; V42-Y82 HydrophobicContact CG1-CE1 4.19Å; V42-Y82 HydrophobicContact CG1-CE2 3.93Å; V42-Y82 HydrophobicContact CG2-CD1 4.09Å; V42-Y82 HydrophobicContact CG2-CD2 3.9Å; V42-Y82 HydrophobicContact CG2-CE1 4.34Å; V42-Y82 HydrophobicContact CG2-CE2 4.14Å; V42-Y82 HydrophobicContact CG2-CG 3.88Å; E79-Y82 HydrophobicContact CG-CD2 3.8Å; E79-Y82 PolarHBondContact O-N 3.5Å; Y82-I84 VanDerWaalsContact C-N 3.29Å; Y82-I84 PolarHBondContact O-N 3.18Å; Y82-Y95 WeakPolarHBondContact CD2-OH 3.38Å
83N86.8Confident84.1Confident65 Ų6574.3 Ų74.335%0.34835%0.351SS..THydrogen-bonded Turntrans52.842.3-178.1-65.3-35.1000113.7D57 K58 V59 E79D57-N83 WeakPolarHBondContact O-CB 3.5Å; D57-N83 PolarHBondContact O-ND2 3.5Å; K58-N83 WeakPolarHBondContact CA-O 3.26Å; K58-N83 HydrophobicContact CG-CB 4.5Å; V59-N83 PolarHBondContact N-O 3.07Å; V59-N83 VanDerWaalsContact N-O 3.13Å; E79-N83 PolarHBondContact O-N 3.36Å; E79-N83 VanDerWaalsContact O-N 3.09Å
84I89.7Confident84.7Confident0 Ų075.2 Ų75.20%036%0.357CS..EExtended strand (participates in β ladder)trans-100.7125.4176.2-55.1173.7000108.7V42 V59 F61 F78 E79 Y82 F86 Y95V42-I84 HydrophobicContact CG2-CD1 4.39Å; V59-I84 CarbonylContact O-C 3.52Å; V59-I84 WeakPolarHBondContact O-CA 3.43Å; F61-I84 HydrophobicContact CD1-CG2 3.89Å; F61-I84 HydrophobicContact CD2-CG2 4.07Å; F61-I84 HydrophobicContact CE1-CG2 3.69Å; F61-I84 HydrophobicContact CE2-CG2 3.88Å; F61-I84 HydrophobicContact CG-CG2 4.07Å; F61-I84 HydrophobicContact CZ-CD1 4.26Å; F61-I84 HydrophobicContact CZ-CG2 3.68Å; F78-I84 CarbonylContact C-O 3.41Å; F78-I84 WeakPolarHBondContact CA-O 3.2Å; F78-I84 WeakPolarHBondContact CB-O 3.29Å; E79-I84 PolarHBondContact N-O 2.9Å; Y82-I84 VanDerWaalsContact C-N 3.29Å; Y82-I84 PolarHBondContact O-N 3.18Å; I84-F86 HydrophobicContact CB-CE2 4.46Å; I84-F86 HydrophobicContact CB-CZ 3.96Å; I84-F86 HydrophobicContact CG2-CD1 4.31Å; I84-F86 HydrophobicContact CG2-CE1 3.53Å; I84-F86 HydrophobicContact CG2-CE2 4.23Å; I84-F86 HydrophobicContact CG2-CZ 3.47Å; I84-F86 VanDerWaalsContact CG2-CZ 3.47Å; I84-F86 WeakPolarHBondContact O-CE2 3.43Å; I84-Y95 HydrophobicContact CD1-CD2 4.44Å; I84-Y95 HydrophobicContact CD1-CE2 3.64Å
85Y89.1Confident85.3Confident23 Ų2367.6 Ų67.69%0.0932%0.321CS..EExtended strand (participates in β ladder)trans-106.5144.8178-63.6-99.4000110.2K58 V59 V60 F61 Y73 F78K58-Y85 HydrophobicContact CB-CD2 4.45Å; K58-Y85 HydrophobicContact CB-CE2 3.98Å; K58-Y85 HydrophobicContact CD-CE2 3.9Å; K58-Y85 HydrophobicContact CG-CE2 3.94Å; V59-Y85 PolarHBondContact O-N 2.84Å; V60-Y85 CarbonylContact C-O 3.6Å; V60-Y85 WeakPolarHBondContact CA-O 3.23Å; F61-Y85 PolarHBondContact N-O 2.86Å; Y73-Y85 HydrophobicContact CD2-CE1 4.37Å; Y73-Y85 WeakPolarHBondContact O-CD1 3.46Å; F78-Y85 HydrophobicContact CB-CD1 3.42Å; F78-Y85 VanDerWaalsContact CB-CD1 3.42Å; F78-Y85 HydrophobicContact CB-CD2 4.49Å; F78-Y85 HydrophobicContact CB-CE1 3.7Å; F78-Y85 HydrophobicContact CB-CG 3.86Å; F78-Y85 HydrophobicContact CD1-CE1 4.22Å; F78-Y85 HydrophobicContact CD2-CE1 4.13Å; F78-Y85 HydrophobicContact CG-CD1 4.04Å; F78-Y85 AromaticContact CG-CE1 3.79Å; F78-Y85 HydrophobicContact CG-CE1 3.79Å
86F89.9Confident85.7Confident0 Ų066.2 Ų66.20%031%0.309CS..EExtended strand (participates in β ladder)trans-124.5119.5-171.9-56.1-76.5000111.4F61 F76 P77 E79 I84 D88 H92 Y95F61-F86 HydrophobicContact CB-CD1 4.11Å; F61-F86 AromaticContact CD2-CD1 3.76Å; F61-F86 HydrophobicContact CD2-CD1 3.76Å; F61-F86 AromaticContact CD2-CE1 3.5Å; F61-F86 HydrophobicContact CD2-CE1 3.5Å; F61-F86 VanDerWaalsContact CD2-CE1 3.5Å; F61-F86 AromaticContact CE2-CE1 3.84Å; F61-F86 HydrophobicContact CE2-CE1 3.84Å; F61-F86 HydrophobicContact CG-CD1 4.21Å; F61-F86 HydrophobicContact CG-CE1 4.22Å; F76-F86 WeakPolarHBondContact CB-O 3.11Å; P77-F86 WeakPolarHBondContact O-CD2 3.43Å; P77-F86 PolarHBondContact O-N 3.17Å; E79-F86 HydrophobicContact CB-CE2 4.11Å; E79-F86 HydrophobicContact CB-CZ 4.47Å; I84-F86 HydrophobicContact CB-CE2 4.46Å; I84-F86 HydrophobicContact CB-CZ 3.96Å; I84-F86 HydrophobicContact CG2-CD1 4.31Å; I84-F86 HydrophobicContact CG2-CE1 3.53Å; I84-F86 HydrophobicContact CG2-CE2 4.23Å; I84-F86 HydrophobicContact CG2-CZ 3.47Å; I84-F86 VanDerWaalsContact CG2-CZ 3.47Å; I84-F86 WeakPolarHBondContact O-CE2 3.43Å; F86-D88 VanDerWaalsContact C-N 3.34Å; F86-D88 PolarHBondContact O-N 3.37Å; F86-H92 HydrophobicContact CB-CB 3.84Å; F86-H92 HydrophobicContact CD1-CB 4.12Å; F86-H92 HydrophobicContact CD2-CB 3.88Å; F86-H92 AromaticContact CD2-CD2 3.68Å; F86-H92 AromaticContact CE2-CD2 3.6Å; F86-H92 HydrophobicContact CG-CB 3.67Å; F86-Y95 AromaticContact CE1-CD1 3.74Å; F86-Y95 HydrophobicContact CE1-CD1 3.74Å; F86-Y95 HydrophobicContact CE1-CD2 4.07Å; F86-Y95 HydrophobicContact CE1-CE1 4.48Å; F86-Y95 AromaticContact CE1-CG 3.5Å; F86-Y95 HydrophobicContact CE1-CG 3.5Å; F86-Y95 VanDerWaalsContact CE1-CG 3.5Å; F86-Y95 HydrophobicContact CE2-CD1 4.2Å; F86-Y95 HydrophobicContact CE2-CE1 4.43Å; F86-Y95 AromaticContact CZ-CD1 3.3Å; F86-Y95 HydrophobicContact CZ-CD1 3.3Å; F86-Y95 HydrophobicContact CZ-CD2 4.09Å; F86-Y95 AromaticContact CZ-CE1 3.67Å; F86-Y95 HydrophobicContact CZ-CE1 3.67Å; F86-Y95 HydrophobicContact CZ-CE2 4.37Å; F86-Y95 AromaticContact CZ-CG 3.53Å; F86-Y95 HydrophobicContact CZ-CG 3.53Å
87V87.6Confident85.9Confident48 Ų4871.6 Ų71.629%0.29133%0.329SS..SBendtrans-61.4-42.7179.2173.10000111.8V60 F61 V62 F76V60-V87 HydrophobicContact CG1-CG2 4.19Å; F61-V87 VanDerWaalsContact O-CG2 3.32Å; F61-V87 WeakPolarHBondContact O-CG2 3.35Å; F61-V87 PolarHBondContact O-N 2.94Å; V62-V87 HydrophobicContact CB-CG2 4.15Å; V62-V87 HydrophobicContact CG1-CG2 3.71Å; F76-V87 HydrophobicContact CD2-CG2 4.1Å; F76-V87 HydrophobicContact CE2-CB 4.42Å; F76-V87 HydrophobicContact CE2-CG2 3.56Å; F76-V87 HydrophobicContact CZ-CB 4.42Å; F76-V87 HydrophobicContact CZ-CG1 4.38Å; F76-V87 HydrophobicContact CZ-CG2 3.84Å
88D86.3Confident86.3Confident55 Ų5569 Ų6929%0.29431%0.311SS..SBendtrans-121.7149.9178.6-49.4-48.8000111.5K63 F86 M90 T91 H92K63-D88 VanDerWaalsContact CD-OD2 3.26Å; K63-D88 WeakPolarHBondContact CD-OD2 3.46Å; K63-D88 WeakPolarHBondContact CE-OD2 3.34Å; K63-D88 IonicContact NZ-OD2 3.73Å; K63-D88 PolarHBondContact NZ-OD2 3.11Å; F86-D88 VanDerWaalsContact C-N 3.34Å; F86-D88 PolarHBondContact O-N 3.37Å; D88-M90 HydrophobicContact CB-CB 4.24Å; D88-M90 PolarHBondContact O-N 3.16Å; D88-T91 HydrophobicContact CB-CG2 4.22Å; D88-T91 PolarHBondContact N-OG1 2.89Å; D88-T91 WeakPolarHBondContact O-CA 3.14Å; D88-T91 PolarHBondContact O-N 3.35Å; D88-T91 PolarHBondContact O-OG1 3.39Å; D88-H92 PolarHBondContact O-N 2.86Å; D88-H92 VanDerWaalsContact O-N 3.14Å
89E86.5Confident86.5Confident149 Ų14967.5 Ų67.570%0.69631%0.307SS*.Hα-helixtrans-55.7-30.7167.4-176.6169.9-14600112.6T91 H92 S93E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 3.46Å; E89-H92 PolarHBondContact O-N 3.33Å; E89-S93 WeakPolarHBondContact O-CB 3.46Å; E89-S93 PolarHBondContact O-N 3.01Å; E89-S93 PolarHBondContact O-OG 3.41Å
90M86.1Confident86.6Confident121 Ų12169.1 Ų69.160%0.59632%0.316SS*.Hα-helixtrans-61.5-38.2171.3-70-64.8-71.600112.7D88 S93 Q94D88-M90 HydrophobicContact CB-CB 4.24Å; D88-M90 PolarHBondContact O-N 3.16Å; M90-S93 PolarHBondContact O-N 3.14Å; M90-Q94 WeakPolarHBondContact O-CG 3.29Å; M90-Q94 PolarHBondContact O-N 3.17Å
91T87.9Confident86.6Confident0 Ų061.6 Ų61.60%028%0.284CS..Hα-helixtrans-73.8-37.417864.60000111.6I22 K63 D88 E89 Q94 Y95I22-T91 HydrophobicContact CD1-CG2 3.82Å; I22-T91 HydrophobicContact CG1-CG2 4.21Å; I22-T91 HydrophobicContact CG2-CG2 4.18Å; K63-T91 HydrophobicContact CG-CG2 4.16Å; D88-T91 HydrophobicContact CB-CG2 4.22Å; D88-T91 PolarHBondContact N-OG1 2.89Å; D88-T91 WeakPolarHBondContact O-CA 3.14Å; D88-T91 PolarHBondContact O-N 3.35Å; D88-T91 PolarHBondContact O-OG1 3.39Å; E89-T91 VanDerWaalsContact C-N 3.33Å; E89-T91 PolarHBondContact O-N 3.46Å; T91-Q94 PolarHBondContact O-N 2.99Å; T91-Y95 WeakPolarHBondContact O-CB 3.49Å; T91-Y95 PolarHBondContact O-N 3.22Å
92H87.1Confident86.7Confident29 Ų2954.8 Ų54.813%0.13426%0.26CS..Hα-helixtrans-62.6-39.9171175.8-138.1000112.1F86 D88 E89 Y95 R96F86-H92 HydrophobicContact CB-CB 3.84Å; F86-H92 HydrophobicContact CD1-CB 4.12Å; F86-H92 HydrophobicContact CD2-CB 3.88Å; F86-H92 AromaticContact CD2-CD2 3.68Å; F86-H92 AromaticContact CE2-CD2 3.6Å; F86-H92 HydrophobicContact CG-CB 3.67Å; D88-H92 PolarHBondContact O-N 2.86Å; D88-H92 VanDerWaalsContact O-N 3.14Å; E89-H92 PolarHBondContact O-N 3.33Å; H92-Y95 PolarHBondContact O-N 2.88Å; H92-R96 PolarHBondContact CE1-NE 3.33Å; H92-R96 PolarHBondContact CE1-NH2 3.19Å; H92-R96 VanDerWaalsContact CE1-NH2 3.28Å; H92-R96 PolarHBondContact NE2-NE 3.17Å; H92-R96 PolarHBondContact NE2-NH2 3.21Å; H92-R96 WeakPolarHBondContact O-CG 3.42Å; H92-R96 PolarHBondContact O-N 3.04Å
93S87.2Confident86.6Confident59 Ų5952.1 Ų52.141%0.41325%0.25SS..Hα-helixtrans-67.7-42.2177.2-61.30000112.6E89 M90 R96 R97E89-S93 WeakPolarHBondContact O-CB 3.46Å; E89-S93 PolarHBondContact O-N 3.01Å; E89-S93 PolarHBondContact O-OG 3.41Å; M90-S93 PolarHBondContact O-N 3.14Å; S93-R96 PolarHBondContact O-N 2.88Å; S93-R97 PolarHBondContact O-N 3.28Å
94Q86.8Confident86.2Confident72 Ų7254.5 Ų54.534%0.33627%0.267SS..Hα-helixtrans-63.7-43.8173.2-71.6-172.125.300111.8I22 Y34 M90 T91 R96 R97 L98I22-Q94 HydrophobicContact CD1-CB 4.33Å; Y34-Q94 HydrophobicContact CE2-CB 4.05Å; Y34-Q94 PolarHBondContact OH-OE1 2.87Å; M90-Q94 WeakPolarHBondContact O-CG 3.29Å; M90-Q94 PolarHBondContact O-N 3.17Å; T91-Q94 PolarHBondContact O-N 2.99Å; Q94-R96 PolarHBondContact O-N 3.42Å; Q94-R97 PolarHBondContact O-N 3.36Å; Q94-L98 PolarHBondContact O-N 3.45Å; Q94-L98 VanDerWaalsContact O-N 3.15Å
95Y89.1Confident85.6Confident2 Ų262.3 Ų62.31%0.00830%0.296CS..Hα-helixtrans-56.2-48.9172.8162.8-98.1000112.3T38 V42 F61 E79 Y82 I84 F86 T91 H92 R97 L98 L99T38-Y95 HydrophobicContact CG2-CD2 3.9Å; T38-Y95 HydrophobicContact CG2-CE2 3.74Å; V42-Y95 HydrophobicContact CG2-CE2 4.25Å; F61-Y95 AromaticContact CE2-CD2 3.81Å; F61-Y95 HydrophobicContact CE2-CD2 3.81Å; F61-Y95 HydrophobicContact CE2-CG 4.31Å; F61-Y95 HydrophobicContact CZ-CD2 4.42Å; E79-Y95 HydrophobicContact CB-CE1 4.29Å; E79-Y95 HydrophobicContact CG-CE1 4.31Å; Y82-Y95 WeakPolarHBondContact CD2-OH 3.38Å; I84-Y95 HydrophobicContact CD1-CD2 4.44Å; I84-Y95 HydrophobicContact CD1-CE2 3.64Å; F86-Y95 AromaticContact CE1-CD1 3.74Å; F86-Y95 HydrophobicContact CE1-CD1 3.74Å; F86-Y95 HydrophobicContact CE1-CD2 4.07Å; F86-Y95 HydrophobicContact CE1-CE1 4.48Å; F86-Y95 AromaticContact CE1-CG 3.5Å; F86-Y95 HydrophobicContact CE1-CG 3.5Å; F86-Y95 VanDerWaalsContact CE1-CG 3.5Å; F86-Y95 HydrophobicContact CE2-CD1 4.2Å; F86-Y95 HydrophobicContact CE2-CE1 4.43Å; F86-Y95 AromaticContact CZ-CD1 3.3Å; F86-Y95 HydrophobicContact CZ-CD1 3.3Å; F86-Y95 HydrophobicContact CZ-CD2 4.09Å; F86-Y95 AromaticContact CZ-CE1 3.67Å; F86-Y95 HydrophobicContact CZ-CE1 3.67Å; F86-Y95 HydrophobicContact CZ-CE2 4.37Å; F86-Y95 AromaticContact CZ-CG 3.53Å; F86-Y95 HydrophobicContact CZ-CG 3.53Å; T91-Y95 WeakPolarHBondContact O-CB 3.49Å; T91-Y95 PolarHBondContact O-N 3.22Å; H92-Y95 PolarHBondContact O-N 2.88Å; Y95-R97 VanDerWaalsContact C-N 3.3Å; Y95-R97 PolarHBondContact O-N 3.29Å; Y95-L98 WeakPolarHBondContact O-CB 3.49Å; Y95-L98 PolarHBondContact O-N 2.74Å; Y95-L99 HydrophobicContact CE1-CD1 4.03Å; Y95-L99 HydrophobicContact CE2-CD1 4.09Å
96R87.8Confident85.4Confident137 Ų13762.4 Ų62.452%0.51730%0.3SS..Hα-helixtrans-57.5-43.5175.8-78-176.6177.6-155.8-3.8111.3H92 S93 Q94 L98 L99 L100H92-R96 PolarHBondContact CE1-NE 3.33Å; H92-R96 PolarHBondContact CE1-NH2 3.19Å; H92-R96 VanDerWaalsContact CE1-NH2 3.28Å; H92-R96 PolarHBondContact NE2-NE 3.17Å; H92-R96 PolarHBondContact NE2-NH2 3.21Å; H92-R96 WeakPolarHBondContact O-CG 3.42Å; H92-R96 PolarHBondContact O-N 3.04Å; S93-R96 PolarHBondContact O-N 2.88Å; Q94-R96 PolarHBondContact O-N 3.42Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.4Å; R96-L99 PolarHBondContact O-N 3.45Å; R96-L100 PolarHBondContact O-N 2.92Å
97R86.4Confident84.6Confident147 Ų14768.9 Ų68.956%0.55534%0.342SS*.Hα-helixtrans-60.9-35.2179.3-169.3170.5-177.9-163.3-6.9113.3S93 Q94 Y95 L99 L100 E102S93-R97 PolarHBondContact O-N 3.28Å; Q94-R97 PolarHBondContact O-N 3.36Å; Y95-R97 VanDerWaalsContact C-N 3.3Å; Y95-R97 PolarHBondContact O-N 3.29Å; R97-L99 PolarHBondContact O-N 3.31Å; R97-L100 PolarHBondContact O-N 2.86Å; R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact CZ-OE2 2.7Å; R97-E102 IonicContact NE-OE1 2.69Å; R97-E102 PolarHBondContact NE-OE1 2.92Å; R97-E102 IonicContact NE-OE2 2.8Å; R97-E102 PolarHBondContact NE-OE2 2.87Å; R97-E102 VanDerWaalsContact NE-OE2 3.14Å; R97-E102 IonicContact NH2-OE1 3.81Å; R97-E102 PolarHBondContact NH2-OE1 2.83Å; R97-E102 IonicContact NH2-OE2 2.69Å
98L86.6Confident84Confident13 Ų1373.1 Ų73.17%0.06836%0.359CS..Hα-helixtrans-59.2-29.9173.7-59.9-177.4000113Y34 R35 T38 Q94 Y95 R96 F141 Y143Y34-L98 HydrophobicContact CD2-CD1 3.78Å; Y34-L98 HydrophobicContact CE2-CD1 3.57Å; Y34-L98 HydrophobicContact CE2-CD2 4.22Å; Y34-L98 HydrophobicContact CE2-CG 3.97Å; R35-L98 HydrophobicContact CB-CD1 4.38Å; R35-L98 HydrophobicContact CG-CD1 3.92Å; R35-L98 HydrophobicContact CG-CD2 3.95Å; T38-L98 HydrophobicContact CG2-CD1 4.16Å; Q94-L98 PolarHBondContact O-N 3.45Å; Q94-L98 VanDerWaalsContact O-N 3.15Å; Y95-L98 WeakPolarHBondContact O-CB 3.49Å; Y95-L98 PolarHBondContact O-N 2.74Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.4Å; L98-F141 HydrophobicContact CB-CD1 4.23Å; L98-F141 HydrophobicContact CB-CE1 3.96Å; L98-F141 HydrophobicContact CB-CZ 4.38Å; L98-F141 HydrophobicContact CD1-CZ 4.27Å; L98-F141 WeakPolarHBondContact O-CD1 3.5Å; L98-Y143 HydrophobicContact CB-CE1 4.3Å; L98-Y143 HydrophobicContact CD2-CE1 4.01Å; L98-Y143 WeakPolarHBondContact O-CE1 3.5Å
99L86.4Confident83.3Confident59 Ų5974.8 Ų74.831%0.30937%0.373SS..Hα-helixtrans-92.7-10.7-177.7-55.8-178.5000113.1T38 V42 Y95 R96 R97 F141T38-L99 HydrophobicContact CG2-CD2 4.01Å; V42-L99 HydrophobicContact CB-CD2 4.27Å; V42-L99 HydrophobicContact CG1-CD1 4.12Å; V42-L99 HydrophobicContact CG1-CD2 3.64Å; Y95-L99 HydrophobicContact CE1-CD1 4.03Å; Y95-L99 HydrophobicContact CE2-CD1 4.09Å; R96-L99 PolarHBondContact O-N 3.45Å; R97-L99 PolarHBondContact O-N 3.31Å; L99-F141 HydrophobicContact CD2-CD1 4.31Å; L99-F141 HydrophobicContact CD2-CE1 3.95Å
100L84.6Confident82.9Confident64 Ų6472.1 Ų72.134%0.33536%0.359SS..  trans-69.3138176.4-66.1-175.4000110.9R96 R97 E102 V111R96-L100 PolarHBondContact O-N 2.92Å; R97-L100 PolarHBondContact O-N 2.86Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 3.31Å; L100-V111 HydrophobicContact CB-CG1 4.23Å; L100-V111 HydrophobicContact CD1-CG1 4.06Å; L100-V111 HydrophobicContact CD1-CG2 4.42Å; L100-V111 HydrophobicContact CD2-CG1 3.84Å; L100-V111 HydrophobicContact CG-CG1 4.25Å
101S81.8Confident82.7Confident8 Ų870 Ų706%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-92.473.5170-64.70000108.6F112 S142S101-F112 WeakPolarHBondContact O-CD2 3.33Å; S101-F112 PolarHBondContact O-N 3.46Å; S101-S142 WeakPolarHBondContact OG-CB 3.3Å; S101-S142 PolarHBondContact OG-OG 2.72Å
102E83.3Confident82.4Confident39 Ų3972 Ų7218%0.18236%0.361CS..EExtended strand (participates in β ladder)trans-85.5140.9179.966.7-177.6-152.200113R97 L100 V104 V111R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact CZ-OE2 2.7Å; R97-E102 IonicContact NE-OE1 2.69Å; R97-E102 PolarHBondContact NE-OE1 2.92Å; R97-E102 IonicContact NE-OE2 2.8Å; R97-E102 PolarHBondContact NE-OE2 2.87Å; R97-E102 VanDerWaalsContact NE-OE2 3.14Å; R97-E102 IonicContact NH2-OE1 3.81Å; R97-E102 PolarHBondContact NH2-OE1 2.83Å; R97-E102 IonicContact NH2-OE2 2.69Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-E102 PolarHBondContact O-N 3.31Å; E102-V104 PolarHBondContact O-N 3.47Å; E102-V111 HydrophobicContact CB-CG2 4.27Å
103C82.1Confident82Confident4 Ų476.3 Ų76.33%0.02740%0.395CS..  trans-81.3109.7176.7174.10000111.8R105 C106 K110 F112 L118 H121 M122C103-R105 VanDerWaalsContact C-N 3.26Å; C103-R105 PolarHBondContact O-N 3.49Å; C103-C106 HydrophobicContact CB-CB 4.48Å; C103-C106 VanDerWaalsContact SG-CB 3.58Å; C103-C106 PolarHBondContact SG-N 3.21Å; C103-C106 VanDerWaalsContact SG-SG 3.68Å; C103-K110 HydrophobicContact CB-CB 4.29Å; C103-K110 WeakPolarHBondContact CB-O 3.44Å; C103-K110 PolarHBondContact N-O 2.93Å; C103-F112 HydrophobicContact CB-CE2 4.21Å; C103-L118 HydrophobicContact CB-CD1 4.2Å; C103-H121 PolarHBondContact SG-NE2 2.93Å; C103-M122 HydrophobicContact CB-CE 4.09Å; C103-M122 WeakPolarHBondContact SG-CE 3.46Å
104V78.1Confident81.8Confident115 Ų11581.3 Ų81.370%0.69741%0.405SS*.THydrogen-bonded Turntrans-81.50.5178.2-159.80000113E102E102-V104 PolarHBondContact O-N 3.47Å
105R78Confident81.7Confident164 Ų16479.6 Ų79.662%0.61940%0.396SS*.THydrogen-bonded Turntrans-114.7-10.2-175.8-66.1-64.9-166159.43.4114.7C103 M122 H126 L128C103-R105 VanDerWaalsContact C-N 3.26Å; C103-R105 PolarHBondContact O-N 3.49Å; R105-M122 HydrophobicContact CB-CE 4.32Å; R105-H126 VanDerWaalsContact C-CE1 3.46Å; R105-H126 PolarHBondContact O-CE1 2.59Å; R105-L128 HydrophobicContact CG-CD1 4.15Å
106C83Confident81.7Confident25 Ų2586.3 Ų86.317%0.16943%0.428CS..SBendtrans-88.5149171.2-84.60000110.3C103 E108 H121 H126C103-C106 HydrophobicContact CB-CB 4.48Å; C103-C106 VanDerWaalsContact SG-CB 3.58Å; C103-C106 PolarHBondContact SG-N 3.21Å; C103-C106 VanDerWaalsContact SG-SG 3.68Å; C106-E108 WeakPolarHBondContact CB-O 3.35Å; C106-E108 PolarHBondContact O-N 3.23Å; C106-H121 VanDerWaalsContact SG-CE1 3.54Å; C106-H121 PolarHBondContact SG-NE2 2.97Å; C106-H126 PolarHBondContact SG-NE2 3.3Å
107P73.4Confident81.7Confident137 Ų13783.1 Ų83.189%0.8942%0.418SS*.SBendtrans-67.9-26.817528.6-34.8000112.3
108E76.5Confident81.8Confident136 Ų13676.2 Ų76.264%0.63639%0.393SS*.SBendtrans-103130.3166.4-64.7178154.200109.2C106 K110C106-E108 WeakPolarHBondContact CB-O 3.35Å; C106-E108 PolarHBondContact O-N 3.23Å; E108-K110 PolarHBondContact O-N 3.44Å
109P71.3Confident81.8Confident91 Ų9176.3 Ų76.359%0.59139%0.392SS*.  trans-73.288.1-177.829.7-34.8000110.9V111P109-V111 PolarHBondContact O-N 3.35Å
110K78.3Confident82Confident93 Ų9378.6 Ų78.640%0.40440%0.402SS..  trans-68.6113.2174-68.6-179179.8177.70109.3C103 E108 F112C103-K110 HydrophobicContact CB-CB 4.29Å; C103-K110 WeakPolarHBondContact CB-O 3.44Å; C103-K110 PolarHBondContact N-O 2.93Å; E108-K110 PolarHBondContact O-N 3.44Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.83Å; K110-F112 WeakPolarHBondContact O-CD2 3.29Å; K110-F112 WeakPolarHBondContact O-CE2 3.32Å
111V81.4Confident82.3Confident75 Ų7576.4 Ų76.446%0.45539%0.39SS..EExtended strand (participates in β ladder)trans-91.6128.4176.6179.20000108.8L100 E102 P109L100-V111 HydrophobicContact CB-CG1 4.23Å; L100-V111 HydrophobicContact CD1-CG1 4.06Å; L100-V111 HydrophobicContact CD1-CG2 4.42Å; L100-V111 HydrophobicContact CD2-CG1 3.84Å; L100-V111 HydrophobicContact CG-CG1 4.25Å; E102-V111 HydrophobicContact CB-CG2 4.27Å; P109-V111 PolarHBondContact O-N 3.35Å
112F81.8Confident82.6Confident43 Ų4376.1 Ų76.119%0.18939%0.388CS..EExtended strand (participates in β ladder)trans-108.8145.6178.1-63.1-83000111.4S101 C103 K110 E117 L118 H121S101-F112 WeakPolarHBondContact O-CD2 3.33Å; S101-F112 PolarHBondContact O-N 3.46Å; C103-F112 HydrophobicContact CB-CE2 4.21Å; K110-F112 HydrophobicContact CB-CE2 3.73Å; K110-F112 HydrophobicContact CB-CZ 3.83Å; K110-F112 WeakPolarHBondContact O-CD2 3.29Å; K110-F112 WeakPolarHBondContact O-CE2 3.32Å; F112-E117 HydrophobicContact CB-CB 3.98Å; F112-E117 HydrophobicContact CD1-CB 3.75Å; F112-E117 HydrophobicContact CG-CB 4.15Å; F112-L118 HydrophobicContact CB-CB 4.21Å; F112-L118 HydrophobicContact CD2-CB 3.94Å; F112-L118 HydrophobicContact CD2-CD1 3.83Å; F112-L118 HydrophobicContact CD2-CG 4.48Å; F112-L118 HydrophobicContact CE2-CD1 4.06Å; F112-L118 HydrophobicContact CG-CB 4.21Å; F112-H121 HydrophobicContact CE1-CB 4.01Å; F112-H121 HydrophobicContact CE2-CB 4.01Å; F112-H121 AromaticContact CE2-CD2 3.33Å; F112-H121 WeakPolarHBondContact CE2-CD2 3.41Å; F112-H121 AromaticContact CE2-CG 3.71Å; F112-H121 HydrophobicContact CZ-CB 3.55Å; F112-H121 AromaticContact CZ-CD2 3.43Å; F112-H121 VanDerWaalsContact CZ-CD2 3.43Å; F112-H121 WeakPolarHBondContact CZ-CD2 3.41Å; F112-H121 AromaticContact CZ-CG 3.31Å; F112-H121 AromaticContact CZ-ND1 3.86Å
113S79.3Confident82.9Confident119 Ų11979.8 Ų79.883%0.83240%0.4SS*.SBendtrans-75.4-28.4-179.3-660000111.8E117S113-E117 PolarHBondContact N-OE2 3.41Å
114R82.4Confident83.2Confident165 Ų16586.1 Ų86.162%0.62343%0.427SS*.SBendtrans-128.9149.6177.1-61.5176.3172.9161.3-1.9111.4E116 E117 L118R114-E116 PolarHBondContact O-N 3.09Å; R114-E117 HydrophobicContact CB-CG 4.12Å; R114-E117 WeakPolarHBondContact CB-OE1 3.1Å; R114-E117 WeakPolarHBondContact CG-OE1 3.43Å; R114-E117 PolarHBondContact N-OE2 2.99Å; R114-E117 WeakPolarHBondContact O-CB 3.19Å; R114-E117 PolarHBondContact O-N 3.38Å; R114-L118 PolarHBondContact O-N 3.42Å
115F85.3Confident83.7Confident36 Ų3686.6 Ų86.616%0.15842%0.422CS..Hα-helixtrans-63-30.2176.4177.2-108000112.8E117 L118 E119 S135 S142 R145 W147F115-E117 VanDerWaalsContact C-N 3.34Å; F115-E117 PolarHBondContact O-N 2.95Å; F115-L118 HydrophobicContact CD2-CD2 4.28Å; F115-L118 HydrophobicContact CE2-CD2 4.4Å; F115-L118 WeakPolarHBondContact O-CB 3.12Å; F115-L118 PolarHBondContact O-N 3.12Å; F115-E119 PolarHBondContact O-N 2.85Å; F115-S135 WeakPolarHBondContact CE1-OG 3.41Å; F115-S142 WeakPolarHBondContact CD2-OG 3.29Å; F115-R145 VanDerWaalsContact CE2-CD 3.49Å; F115-R145 VanDerWaalsContact CE2-NH1 3.27Å; F115-R145 VanDerWaalsContact CZ-CD 3.44Å; F115-W147 AromaticContact CE2-CH2 3.96Å; F115-W147 HydrophobicContact CE2-CH2 3.96Å; F115-W147 AromaticContact CE2-CZ2 3.76Å; F115-W147 HydrophobicContact CE2-CZ2 3.76Å; F115-W147 AromaticContact CZ-CH2 3.95Å; F115-W147 HydrophobicContact CZ-CH2 3.95Å; F115-W147 HydrophobicContact CZ-CZ2 4.12Å
116E87.3Confident84.2Confident143 Ų14381.4 Ų81.467%0.66840%0.404SS*.Hα-helixtrans-67.2-34.7178.3-59.4175.714900112.5R114 E119 Q120R114-E116 PolarHBondContact O-N 3.09Å; E116-E119 PolarHBondContact O-N 3.5Å; E116-Q120 WeakPolarHBondContact O-CB 3.33Å; E116-Q120 PolarHBondContact O-N 2.76Å
117E88.2Confident84.5Confident70 Ų7086.9 Ų86.933%0.32743%0.427SS..Hα-helixtrans-65.8-44.5173.2-62.7155.4-163.400110.2F112 S113 R114 F115 Q120 H121F112-E117 HydrophobicContact CB-CB 3.98Å; F112-E117 HydrophobicContact CD1-CB 3.75Å; F112-E117 HydrophobicContact CG-CB 4.15Å; S113-E117 PolarHBondContact N-OE2 3.41Å; R114-E117 HydrophobicContact CB-CG 4.12Å; R114-E117 WeakPolarHBondContact CB-OE1 3.1Å; R114-E117 WeakPolarHBondContact CG-OE1 3.43Å; R114-E117 PolarHBondContact N-OE2 2.99Å; R114-E117 WeakPolarHBondContact O-CB 3.19Å; R114-E117 PolarHBondContact O-N 3.38Å; F115-E117 VanDerWaalsContact C-N 3.34Å; F115-E117 PolarHBondContact O-N 2.95Å; E117-Q120 PolarHBondContact O-N 3.3Å; E117-H121 VanDerWaalsContact O-CB 3.32Å; E117-H121 WeakPolarHBondContact O-CB 3.25Å; E117-H121 PolarHBondContact O-N 3.18Å
118L87.9Confident85.4Confident2 Ų281.1 Ų81.11%0.0139%0.389CS..Hα-helixtrans-61.3-43.1173.3175.263.4000111.6C103 F112 R114 F115 H121 M122 W147C103-L118 HydrophobicContact CB-CD1 4.2Å; F112-L118 HydrophobicContact CB-CB 4.21Å; F112-L118 HydrophobicContact CD2-CB 3.94Å; F112-L118 HydrophobicContact CD2-CD1 3.83Å; F112-L118 HydrophobicContact CD2-CG 4.48Å; F112-L118 HydrophobicContact CE2-CD1 4.06Å; F112-L118 HydrophobicContact CG-CB 4.21Å; R114-L118 PolarHBondContact O-N 3.42Å; F115-L118 HydrophobicContact CD2-CD2 4.28Å; F115-L118 HydrophobicContact CE2-CD2 4.4Å; F115-L118 WeakPolarHBondContact O-CB 3.12Å; F115-L118 PolarHBondContact O-N 3.12Å; L118-H121 PolarHBondContact O-N 2.86Å; L118-M122 HydrophobicContact CD1-CE 4.14Å; L118-M122 HydrophobicContact CD1-CG 4.1Å; L118-M122 HydrophobicContact CG-CG 4.39Å; L118-M122 WeakPolarHBondContact O-CB 3.47Å; L118-M122 VanDerWaalsContact O-CG 3.29Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.01Å; L118-W147 HydrophobicContact CD2-CZ2 4.05Å; L118-W147 HydrophobicContact CG-CH2 4.4Å; L118-W147 HydrophobicContact CG-CZ2 4.06Å
119E88.4Confident86Confident14 Ų1477.3 Ų77.37%0.06537%0.37CS..Hα-helixtrans-63.1-43.2175.9-168.5-161.6128.400111.7F115 E116 H121 M122 R123 C130 K132 W147F115-E119 PolarHBondContact O-N 2.85Å; E116-E119 PolarHBondContact O-N 3.5Å; E119-H121 VanDerWaalsContact C-N 3.31Å; E119-H121 PolarHBondContact O-N 3.27Å; E119-M122 PolarHBondContact O-N 3.27Å; E119-R123 VanDerWaalsContact O-CB 3.3Å; E119-R123 WeakPolarHBondContact O-CB 3.38Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 IonicContact OE1-CZ 2.63Å; E119-R123 IonicContact OE1-NH2 3.14Å; E119-R123 PolarHBondContact OE1-NH2 3.21Å; E119-C130 PolarHBondContact OE2-SG 2.84Å; E119-K132 VanDerWaalsContact OE1-CE 3.31Å; E119-K132 WeakPolarHBondContact OE1-CE 3.25Å; E119-K132 IonicContact OE1-NZ 3.1Å; E119-K132 PolarHBondContact OE1-NZ 2.97Å; E119-K132 IonicContact OE2-NZ 2.65Å; E119-K132 PolarHBondContact OE2-NZ 3.47Å; E119-W147 HydrophobicContact CB-CH2 4.06Å; E119-W147 HydrophobicContact CB-CZ3 4.33Å; E119-W147 HydrophobicContact CG-CH2 4.21Å; E119-W147 HydrophobicContact CG-CZ3 4.02Å
120Q89.3Confident86.8Confident107 Ų10773.4 Ų73.450%0.535%0.345SS..Hα-helixtrans-64.8-38.2177.3-159.4-166.3103.200111.3E116 E117 K124E116-Q120 WeakPolarHBondContact O-CB 3.33Å; E116-Q120 PolarHBondContact O-N 2.76Å; E117-Q120 PolarHBondContact O-N 3.3Å; Q120-K124 HydrophobicContact CG-CD 4.09Å; Q120-K124 VanDerWaalsContact O-CB 3.25Å; Q120-K124 WeakPolarHBondContact O-CB 3.45Å; Q120-K124 VanDerWaalsContact O-CG 3.29Å; Q120-K124 WeakPolarHBondContact O-CG 3.26Å; Q120-K124 PolarHBondContact O-N 2.94Å; Q120-K124 VanDerWaalsContact OE1-CE 3.28Å
121H90.6Very high87.3Confident18 Ų1869.1 Ų69.18%0.08333%0.327CS..Hα-helixtrans-65.2-50.1174.7169.762.6000112.3C103 C106 F112 E117 L118 E119 R123 K124 Q125 H126C103-H121 PolarHBondContact SG-NE2 2.93Å; C106-H121 VanDerWaalsContact SG-CE1 3.54Å; C106-H121 PolarHBondContact SG-NE2 2.97Å; F112-H121 HydrophobicContact CE1-CB 4.01Å; F112-H121 HydrophobicContact CE2-CB 4.01Å; F112-H121 AromaticContact CE2-CD2 3.33Å; F112-H121 WeakPolarHBondContact CE2-CD2 3.41Å; F112-H121 AromaticContact CE2-CG 3.71Å; F112-H121 HydrophobicContact CZ-CB 3.55Å; F112-H121 AromaticContact CZ-CD2 3.43Å; F112-H121 VanDerWaalsContact CZ-CD2 3.43Å; F112-H121 WeakPolarHBondContact CZ-CD2 3.41Å; F112-H121 AromaticContact CZ-CG 3.31Å; F112-H121 AromaticContact CZ-ND1 3.86Å; E117-H121 VanDerWaalsContact O-CB 3.32Å; E117-H121 WeakPolarHBondContact O-CB 3.25Å; E117-H121 PolarHBondContact O-N 3.18Å; L118-H121 PolarHBondContact O-N 2.86Å; E119-H121 VanDerWaalsContact C-N 3.31Å; E119-H121 PolarHBondContact O-N 3.27Å; H121-R123 VanDerWaalsContact C-N 3.26Å; H121-R123 PolarHBondContact O-N 3.17Å; H121-K124 PolarHBondContact O-N 3.3Å; H121-K124 VanDerWaalsContact O-N 3.15Å; H121-Q125 WeakPolarHBondContact O-CB 3.13Å; H121-Q125 PolarHBondContact O-N 2.85Å; H121-H126 AromaticContact NE2-NE2 3.8Å
122M87.8Confident87.6Confident3 Ų370 Ų702%0.01533%0.325CS..Hα-helixtrans-52.8-45.4174-76.1-67.110500111.6C103 R105 L118 E119 H126 E127 L128 W147C103-M122 HydrophobicContact CB-CE 4.09Å; C103-M122 WeakPolarHBondContact SG-CE 3.46Å; R105-M122 HydrophobicContact CB-CE 4.32Å; L118-M122 HydrophobicContact CD1-CE 4.14Å; L118-M122 HydrophobicContact CD1-CG 4.1Å; L118-M122 HydrophobicContact CG-CG 4.39Å; L118-M122 WeakPolarHBondContact O-CB 3.47Å; L118-M122 VanDerWaalsContact O-CG 3.29Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.01Å; E119-M122 PolarHBondContact O-N 3.27Å; M122-H126 WeakPolarHBondContact CE-CD2 3.46Å; M122-H126 CarbonylContact O-C 3.52Å; M122-H126 WeakPolarHBondContact O-CA 3.33Å; M122-H126 PolarHBondContact O-N 3.06Å; M122-E127 PolarHBondContact O-N 2.94Å; M122-L128 CarbonylContact C-O 3.46Å; M122-L128 HydrophobicContact CB-CB 4.46Å; M122-L128 PolarHBondContact O-N 3.3Å; M122-L128 HydrophobicContact SD-CD1 4.45Å; M122-W147 HydrophobicContact CB-CD2 4.36Å; M122-W147 HydrophobicContact CB-CE3 3.7Å; M122-W147 HydrophobicContact CB-CH2 4.11Å; M122-W147 HydrophobicContact CB-CZ3 3.56Å; M122-W147 HydrophobicContact CG-CD2 3.81Å; M122-W147 HydrophobicContact CG-CE3 3.63Å; M122-W147 HydrophobicContact CG-CH2 3.72Å; M122-W147 HydrophobicContact CG-CZ2 3.86Å; M122-W147 HydrophobicContact CG-CZ3 3.59Å; M122-W147 HydrophobicContact SD-CD2 4.17Å; M122-W147 HydrophobicContact SD-CE3 4.42Å; M122-W147 HydrophobicContact SD-CG 4.43Å
123R90Very high87.9Confident115 Ų11569.6 Ų69.643%0.43432%0.324SS..Hα-helixtrans-65.4-43.9177.7-166.7-171.8-58.4-166.94.7112.9E119 H121 L128 F129E119-R123 VanDerWaalsContact O-CB 3.3Å; E119-R123 WeakPolarHBondContact O-CB 3.38Å; E119-R123 PolarHBondContact O-N 2.91Å; E119-R123 IonicContact OE1-CZ 2.63Å; E119-R123 IonicContact OE1-NH2 3.14Å; E119-R123 PolarHBondContact OE1-NH2 3.21Å; H121-R123 VanDerWaalsContact C-N 3.26Å; H121-R123 PolarHBondContact O-N 3.17Å; R123-L128 WeakPolarHBondContact CA-O 3.31Å; R123-L128 PolarHBondContact N-O 2.96Å; R123-F129 HydrophobicContact CG-CD1 4.11Å; R123-F129 HydrophobicContact CG-CE1 3.59Å; R123-F129 HydrophobicContact CG-CZ 3.98Å
124K89.8Confident88.3Confident137 Ų13765 Ų6560%0.59629%0.291SS*.Hα-helixtrans-81.7-21.5-174.6-78.2179.4170.2179.60115.1Q120 H121Q120-K124 HydrophobicContact CG-CD 4.09Å; Q120-K124 VanDerWaalsContact O-CB 3.25Å; Q120-K124 WeakPolarHBondContact O-CB 3.45Å; Q120-K124 VanDerWaalsContact O-CG 3.29Å; Q120-K124 WeakPolarHBondContact O-CG 3.26Å; Q120-K124 PolarHBondContact O-N 2.94Å; Q120-K124 VanDerWaalsContact OE1-CE 3.28Å; H121-K124 PolarHBondContact O-N 3.3Å; H121-K124 VanDerWaalsContact O-N 3.15Å
125Q88.8Confident88.4Confident126 Ų12658.6 Ų58.659%0.58927%0.272SS*.Hα-helixtrans-121.5-21.3-171.4-62.7-70.3-96.900114H121H121-Q125 WeakPolarHBondContact O-CB 3.13Å; H121-Q125 PolarHBondContact O-N 2.85Å
126H88.5Confident88.4Confident54 Ų5464 Ų6425%0.2530%0.295CS..SBendtrans-126.4-0.9-178-56.8-73.8000113.2R105 C106 H121 M122 L128R105-H126 VanDerWaalsContact C-CE1 3.46Å; R105-H126 PolarHBondContact O-CE1 2.59Å; C106-H126 PolarHBondContact SG-NE2 3.3Å; H121-H126 AromaticContact NE2-NE2 3.8Å; M122-H126 WeakPolarHBondContact CE-CD2 3.46Å; M122-H126 CarbonylContact O-C 3.52Å; M122-H126 WeakPolarHBondContact O-CA 3.33Å; M122-H126 PolarHBondContact O-N 3.06Å; H126-L128 HydrophobicContact CB-CB 4.39Å; H126-L128 HydrophobicContact CB-CD1 4.05Å; H126-L128 HydrophobicContact CB-CG 4Å; H126-L128 WeakPolarHBondContact O-CG 3.3Å; H126-L128 PolarHBondContact O-N 2.82Å; H126-L128 VanDerWaalsContact O-N 3.15Å
127E89.3Confident88.2Confident140 Ų14060.7 Ų60.765%0.65428%0.28SS*.  trans53.926.3-172.7-53.6-164.5132.600113.8M122 F129M122-E127 PolarHBondContact O-N 2.94Å; E127-F129 VanDerWaalsContact O-CD2 3.3Å; E127-F129 WeakPolarHBondContact O-CD2 3.36Å; E127-F129 WeakPolarHBondContact O-CE2 3.49Å
128L90.6Very high88Confident17 Ų1759.8 Ų59.89%0.08928%0.277CS..EExtended strand (participates in β ladder)trans-99.7145.4-178.7-67178.8000112R105 M122 R123 H126 W147R105-L128 HydrophobicContact CG-CD1 4.15Å; M122-L128 CarbonylContact C-O 3.46Å; M122-L128 HydrophobicContact CB-CB 4.46Å; M122-L128 PolarHBondContact O-N 3.3Å; M122-L128 HydrophobicContact SD-CD1 4.45Å; R123-L128 WeakPolarHBondContact CA-O 3.31Å; R123-L128 PolarHBondContact N-O 2.96Å; H126-L128 HydrophobicContact CB-CB 4.39Å; H126-L128 HydrophobicContact CB-CD1 4.05Å; H126-L128 HydrophobicContact CB-CG 4Å; H126-L128 WeakPolarHBondContact O-CG 3.3Å; H126-L128 PolarHBondContact O-N 2.82Å; H126-L128 VanDerWaalsContact O-N 3.15Å; L128-W147 HydrophobicContact CB-CB 4.17Å; L128-W147 HydrophobicContact CD1-CB 4.02Å
129F89.1Confident87.9Confident56 Ų5664.8 Ų64.825%0.24630%0.299CS..EExtended strand (participates in β ladder)trans-133.1136.9-174.6-58.6-100.4000110R123 E127 Y148 R150 L153R123-F129 HydrophobicContact CG-CD1 4.11Å; R123-F129 HydrophobicContact CG-CE1 3.59Å; R123-F129 HydrophobicContact CG-CZ 3.98Å; E127-F129 VanDerWaalsContact O-CD2 3.3Å; E127-F129 WeakPolarHBondContact O-CD2 3.36Å; E127-F129 WeakPolarHBondContact O-CE2 3.49Å; F129-Y148 PolarHBondContact N-O 3.48Å; F129-Y148 PolarHBondContact O-N 2.7Å; F129-R150 HydrophobicContact CE2-CB 4.21Å; F129-L153 HydrophobicContact CB-CD2 3.64Å; F129-L153 HydrophobicContact CG-CD2 4.43Å
130C89.1Confident87.8Confident8 Ų866.1 Ų66.15%0.05431%0.306CS..  trans-85.6154.916866.20000110.9E119 W147E119-C130 PolarHBondContact OE2-SG 2.84Å; C130-W147 HydrophobicContact CB-CE3 4.03Å; C130-W147 HydrophobicContact CB-CH2 4.22Å; C130-W147 HydrophobicContact CB-CZ3 3.79Å
131C89.4Confident87.7Confident3 Ų361.2 Ų61.22%0.0228%0.283CS..  trans-74.9129.2169.6-169.40000110.7C134 S135 Y148 L153 H156 H170C131-C134 HydrophobicContact CB-CB 3.97Å; C131-S135 VanDerWaalsContact O-CB 3.26Å; C131-S135 WeakPolarHBondContact O-CB 3.5Å; C131-S135 PolarHBondContact O-N 3.2Å; C131-Y148 HydrophobicContact CB-CE2 4.42Å; C131-L153 HydrophobicContact CB-CD1 3.71Å; C131-H156 WeakPolarHBondContact CB-NE2 3.4Å; C131-H170 VanDerWaalsContact SG-CD2 3.51Å; C131-H170 PolarHBondContact SG-NE2 2.76Å
132K87.4Confident87.4Confident95 Ų9561.1 Ų61.141%0.41328%0.284SS..Hα-helixtrans-71.9-28.9-175.7-71.2-68.3-174.8178.90113.5E119 K136E119-K132 VanDerWaalsContact OE1-CE 3.31Å; E119-K132 WeakPolarHBondContact OE1-CE 3.25Å; E119-K132 IonicContact OE1-NZ 3.1Å; E119-K132 PolarHBondContact OE1-NZ 2.97Å; E119-K132 IonicContact OE2-NZ 2.65Å; E119-K132 PolarHBondContact OE2-NZ 3.47Å; K132-K136 WeakPolarHBondContact O-CG 3.23Å; K132-K136 PolarHBondContact O-N 3.06Å
133L87.3Confident87.1Confident34 Ų3464.2 Ų64.218%0.17830%0.296CS..Hα-helixtrans-70.5-56.2173-66.5167.9000109.6S135 K136 H137 H170 R179L133-S135 PolarHBondContact O-N 3.21Å; L133-S135 VanDerWaalsContact O-N 3.16Å; L133-K136 PolarHBondContact O-N 2.89Å; L133-H137 PolarHBondContact O-CD2 3.2Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; L133-H137 PolarHBondContact O-N 3.18Å; L133-H170 HydrophobicContact CD1-CB 3.81Å; L133-R179 HydrophobicContact CD1-CB 3.77Å; L133-R179 WeakPolarHBondContact CD1-O 3.46Å; L133-R179 WeakPolarHBondContact CD2-O 3.4Å
134C87.1Confident86.9Confident21 Ų2161.5 Ų61.514%0.14229%0.288CS..Hα-helixtrans-50-43.3171.7-61.70000112.9C131 K136 L138 H156 H170C131-C134 HydrophobicContact CB-CB 3.97Å; C134-K136 VanDerWaalsContact C-N 3.32Å; C134-K136 PolarHBondContact O-N 3.31Å; C134-L138 HydrophobicContact CB-CD1 3.88Å; C134-L138 HydrophobicContact CB-CG 4.36Å; C134-L138 WeakPolarHBondContact O-CA 3.22Å; C134-L138 VanDerWaalsContact O-CB 3.22Å; C134-L138 WeakPolarHBondContact O-CB 3.45Å; C134-L138 PolarHBondContact O-N 3.5Å; C134-H156 PolarHBondContact SG-NE2 3.28Å; C134-H156 VanDerWaalsContact SG-NE2 3.37Å; C134-H170 PolarHBondContact SG-CE1 2.69Å; C134-H170 PolarHBondContact SG-NE2 3.28Å
135S86.3Confident86.8Confident31 Ų3157.1 Ų57.122%0.21727%0.268CS..Hα-helixtrans-66.9-26.2179.2-171.80000114.7F115 C131 L133F115-S135 WeakPolarHBondContact CE1-OG 3.41Å; C131-S135 VanDerWaalsContact O-CB 3.26Å; C131-S135 WeakPolarHBondContact O-CB 3.5Å; C131-S135 PolarHBondContact O-N 3.2Å; L133-S135 PolarHBondContact O-N 3.21Å; L133-S135 VanDerWaalsContact O-N 3.16Å
136K85Confident86.6Confident150 Ų15054.6 Ų54.665%0.65226%0.255SS*.Hα-helixtrans-84.7-50.7177.1-83.7-179.8175.1-169.50111.1K132 L133 C134 K139K132-K136 WeakPolarHBondContact O-CG 3.23Å; K132-K136 PolarHBondContact O-N 3.06Å; L133-K136 PolarHBondContact O-N 2.89Å; C134-K136 VanDerWaalsContact C-N 3.32Å; C134-K136 PolarHBondContact O-N 3.31Å; K136-K139 PolarHBondContact O-NZ 3.15Å
137H82.3Confident86.6Confident73 Ų7354.2 Ų54.234%0.33825%0.252SS..Hα-helixtrans-91.3-38.1-167.8-56.9-124000112.2L133 K139 L181 E185L133-H137 PolarHBondContact O-CD2 3.2Å; L133-H137 VanDerWaalsContact O-CD2 3.26Å; L133-H137 PolarHBondContact O-N 3.18Å; H137-K139 PolarHBondContact O-N 3.05Å; H137-L181 HydrophobicContact CB-CD1 4.06Å; H137-L181 HydrophobicContact CB-CD2 3.73Å; H137-L181 HydrophobicContact CB-CG 4.37Å; H137-E185 VanDerWaalsContact CE1-CD 3.5Å; H137-E185 IonicContact CE1-OE1 2.71Å; H137-E185 PolarHBondContact CE1-OE1 3.07Å; H137-E185 IonicContact CE1-OE2 2.73Å; H137-E185 PolarHBondContact CE1-OE2 2.75Å; H137-E185 VanDerWaalsContact CE1-OE2 3.26Å; H137-E185 IonicContact ND1-OE1 3.41Å; H137-E185 PolarHBondContact ND1-OE1 3.37Å; H137-E185 IonicContact ND1-OE2 3.9Å; H137-E185 PolarHBondContact ND1-OE2 3.24Å
138L84.8Confident86.5Confident52 Ų5248.7 Ų48.727%0.27223%0.225SC..  trans-81.5109.7-179.6-54.6-179.4000111.7C134 I140 L181C134-L138 HydrophobicContact CB-CD1 3.88Å; C134-L138 HydrophobicContact CB-CG 4.36Å; C134-L138 WeakPolarHBondContact O-CA 3.22Å; C134-L138 VanDerWaalsContact O-CB 3.22Å; C134-L138 WeakPolarHBondContact O-CB 3.45Å; C134-L138 PolarHBondContact O-N 3.5Å; L138-I140 HydrophobicContact CB-CG1 4.42Å; L138-I140 HydrophobicContact CB-CG2 4.44Å; L138-I140 PolarHBondContact O-N 3.16Å; L138-L181 HydrophobicContact CD2-CD2 4.27Å; L138-L181 HydrophobicContact CG-CD1 4.47Å
139K84.7Confident86.5Confident107 Ų10751.2 Ų51.247%0.46524%0.239SC..  trans-79.965.9177.6-54.3-48.9-175.7-167.60111.7K39 L43 K136 H137K39-K139 WeakPolarHBondContact CE-O 3.35Å; L43-K139 HydrophobicContact CB-CB 4.02Å; L43-K139 WeakPolarHBondContact O-CB 3.43Å; L43-K139 WeakPolarHBondContact O-CD 3.28Å; L43-K139 WeakPolarHBondContact O-CG 3.45Å; K136-K139 PolarHBondContact O-NZ 3.15Å; H137-K139 PolarHBondContact O-N 3.05Å
140I87.3Confident86.6Confident41 Ų4158 Ų5821%0.2126%0.263CS..  trans-112.2153177.664.3176.3000111.5L43 L138 E144 R145L43-I140 VanDerWaalsContact CD1-C 3.47Å; L138-I140 HydrophobicContact CB-CG1 4.42Å; L138-I140 HydrophobicContact CB-CG2 4.44Å; L138-I140 PolarHBondContact O-N 3.16Å; I140-E144 HydrophobicContact CB-CB 4.29Å; I140-R145 HydrophobicContact CD1-CG 3.82Å; I140-R145 HydrophobicContact CG1-CG 3.78Å; I140-R145 PolarHBondContact O-NH2 3.47Å
141F86.6Confident86.6Confident4 Ų466.3 Ų66.32%0.01830%0.298CS..  trans-67156.4-178.2-64.5-78.8000112.1T38 K39 L43 L98 L99 Y143 E144 R145T38-F141 HydrophobicContact CG2-CE1 3.77Å; T38-F141 HydrophobicContact CG2-CZ 3.83Å; K39-F141 HydrophobicContact CB-CE2 3.86Å; K39-F141 HydrophobicContact CB-CZ 3.94Å; K39-F141 HydrophobicContact CD-CE2 4.2Å; K39-F141 HydrophobicContact CG-CE2 4.26Å; L43-F141 HydrophobicContact CD1-CB 4.45Å; L43-F141 HydrophobicContact CD1-CD1 3.67Å; L43-F141 HydrophobicContact CD1-CD2 4.23Å; L43-F141 HydrophobicContact CD1-CE1 3.89Å; L43-F141 HydrophobicContact CD1-CE2 4.43Å; L43-F141 HydrophobicContact CD1-CG 3.84Å; L43-F141 HydrophobicContact CD1-CZ 4.27Å; L43-F141 HydrophobicContact CG-CD1 4.35Å; L43-F141 HydrophobicContact CG-CE1 4.24Å; L98-F141 HydrophobicContact CB-CD1 4.23Å; L98-F141 HydrophobicContact CB-CE1 3.96Å; L98-F141 HydrophobicContact CB-CZ 4.38Å; L98-F141 HydrophobicContact CD1-CZ 4.27Å; L98-F141 WeakPolarHBondContact O-CD1 3.5Å; L99-F141 HydrophobicContact CD2-CD1 4.31Å; L99-F141 HydrophobicContact CD2-CE1 3.95Å; F141-Y143 HydrophobicContact CB-CD1 3.62Å; F141-Y143 HydrophobicContact CB-CE1 3.26Å; F141-Y143 HydrophobicContact CB-CG 4.43Å; F141-Y143 HydrophobicContact CD1-CE1 4.16Å; F141-Y143 AromaticContact CD2-CE1 3.91Å; F141-Y143 HydrophobicContact CD2-CE1 3.91Å; F141-Y143 AromaticContact CD2-CZ 3.85Å; F141-Y143 VanDerWaalsContact CD2-OH 3.29Å; F141-Y143 WeakPolarHBondContact CD2-OH 3.33Å; F141-Y143 HydrophobicContact CG-CD1 4.36Å; F141-Y143 AromaticContact CG-CE1 3.54Å; F141-Y143 HydrophobicContact CG-CE1 3.54Å; F141-Y143 AromaticContact CG-CZ 3.98Å; F141-Y143 PolarHBondContact O-N 2.81Å; F141-E144 HydrophobicContact CB-CB 4.48Å; F141-E144 HydrophobicContact CB-CG 4.15Å; F141-E144 HydrophobicContact CD2-CG 4.37Å; F141-E144 PolarHBondContact O-N 3.26Å; F141-R145 PolarHBondContact O-N 2.86Å
142S84.6Confident86.6Confident16 Ų1669.9 Ų69.911%0.11231%0.314CS..THydrogen-bonded Turntrans-56.3-33.7179.7-65.60000113.7S101 F115 R145S101-S142 WeakPolarHBondContact OG-CB 3.3Å; S101-S142 PolarHBondContact OG-OG 2.72Å; F115-S142 WeakPolarHBondContact CD2-OG 3.29Å; S142-R145 PolarHBondContact OG-NH1 3.37Å
143Y81.5Confident86.8Confident68 Ų6866.1 Ų66.127%0.26730%0.299SS..THydrogen-bonded Turntrans-80.6-17.2176.671.8-93000113.9R35 L98 F141R35-Y143 PolarHBondContact NE-OH 3.13Å; R35-Y143 PolarHBondContact NH2-OH 2.86Å; L98-Y143 HydrophobicContact CB-CE1 4.3Å; L98-Y143 HydrophobicContact CD2-CE1 4.01Å; L98-Y143 WeakPolarHBondContact O-CE1 3.5Å; F141-Y143 HydrophobicContact CB-CD1 3.62Å; F141-Y143 HydrophobicContact CB-CE1 3.26Å; F141-Y143 HydrophobicContact CB-CG 4.43Å; F141-Y143 HydrophobicContact CD1-CE1 4.16Å; F141-Y143 AromaticContact CD2-CE1 3.91Å; F141-Y143 HydrophobicContact CD2-CE1 3.91Å; F141-Y143 AromaticContact CD2-CZ 3.85Å; F141-Y143 VanDerWaalsContact CD2-OH 3.29Å; F141-Y143 WeakPolarHBondContact CD2-OH 3.33Å; F141-Y143 HydrophobicContact CG-CD1 4.36Å; F141-Y143 AromaticContact CG-CE1 3.54Å; F141-Y143 HydrophobicContact CG-CE1 3.54Å; F141-Y143 AromaticContact CG-CZ 3.98Å; F141-Y143 PolarHBondContact O-N 2.81Å
144E85.4Confident86.9Confident59 Ų5967.3 Ų67.328%0.27631%0.313SS..THydrogen-bonded Turntrans-88.1-8.7175.2-62.8-176.3167.700112R35 K39 I140 F141 K146R35-E144 IonicContact CZ-OE1 3.93Å; R35-E144 IonicContact NH2-OE1 3.56Å; R35-E144 PolarHBondContact NH2-OE1 2.83Å; K39-E144 IonicContact NZ-OE2 2.75Å; K39-E144 PolarHBondContact NZ-OE2 3.26Å; I140-E144 HydrophobicContact CB-CB 4.29Å; F141-E144 HydrophobicContact CB-CB 4.48Å; F141-E144 HydrophobicContact CB-CG 4.15Å; F141-E144 HydrophobicContact CD2-CG 4.37Å; F141-E144 PolarHBondContact O-N 3.26Å; E144-K146 PolarHBondContact O-N 3.48Å
145R87.1Confident87Confident44 Ų4472 Ų7217%0.16633%0.328CS..  trans-75.9123.1179.8-73.2177.3179.2128.28.4111.2F115 I140 F141 S142 W147F115-R145 VanDerWaalsContact CE2-CD 3.49Å; F115-R145 VanDerWaalsContact CE2-NH1 3.27Å; F115-R145 VanDerWaalsContact CZ-CD 3.44Å; I140-R145 HydrophobicContact CD1-CG 3.82Å; I140-R145 HydrophobicContact CG1-CG 3.78Å; I140-R145 PolarHBondContact O-NH2 3.47Å; F141-R145 PolarHBondContact O-N 2.86Å; S142-R145 PolarHBondContact OG-NH1 3.37Å; R145-W147 PolarHBondContact O-NE1 2.92Å
146K85.4Confident87.2Confident74 Ų7471 Ų7132%0.32232%0.32SS..  trans-64.7142.9165.9-71179.9172.91770111.3E144 Y148 D161 D164E144-K146 PolarHBondContact O-N 3.48Å; K146-Y148 HydrophobicContact CB-CE1 3.99Å; K146-Y148 HydrophobicContact CB-CE2 4.15Å; K146-Y148 WeakPolarHBondContact CB-OH 3.37Å; K146-Y148 HydrophobicContact CD-CE1 4.31Å; K146-Y148 WeakPolarHBondContact CD-OH 3.49Å; K146-D161 WeakPolarHBondContact CD-OD2 3.22Å; K146-D161 IonicContact NZ-OD2 3.36Å; K146-D161 PolarHBondContact NZ-OD2 2.67Å; K146-D164 IonicContact NZ-OD1 2.71Å; K146-D164 PolarHBondContact NZ-OD1 3.31Å; K146-D164 IonicContact NZ-OD2 2.81Å; K146-D164 PolarHBondContact NZ-OD2 3.33Å
147W87.8Confident87.3Confident46 Ų4668.2 Ų68.217%0.17431%0.305CS..  trans-125125.6-179.2-68.494.2000109.3F115 L118 E119 M122 L128 C130 R145F115-W147 AromaticContact CE2-CH2 3.96Å; F115-W147 HydrophobicContact CE2-CH2 3.96Å; F115-W147 AromaticContact CE2-CZ2 3.76Å; F115-W147 HydrophobicContact CE2-CZ2 3.76Å; F115-W147 AromaticContact CZ-CH2 3.95Å; F115-W147 HydrophobicContact CZ-CH2 3.95Å; F115-W147 HydrophobicContact CZ-CZ2 4.12Å; L118-W147 HydrophobicContact CD2-CZ2 4.05Å; L118-W147 HydrophobicContact CG-CH2 4.4Å; L118-W147 HydrophobicContact CG-CZ2 4.06Å; E119-W147 HydrophobicContact CB-CH2 4.06Å; E119-W147 HydrophobicContact CB-CZ3 4.33Å; E119-W147 HydrophobicContact CG-CH2 4.21Å; E119-W147 HydrophobicContact CG-CZ3 4.02Å; M122-W147 HydrophobicContact CB-CD2 4.36Å; M122-W147 HydrophobicContact CB-CE3 3.7Å; M122-W147 HydrophobicContact CB-CH2 4.11Å; M122-W147 HydrophobicContact CB-CZ3 3.56Å; M122-W147 HydrophobicContact CG-CD2 3.81Å; M122-W147 HydrophobicContact CG-CE3 3.63Å; M122-W147 HydrophobicContact CG-CH2 3.72Å; M122-W147 HydrophobicContact CG-CZ2 3.86Å; M122-W147 HydrophobicContact CG-CZ3 3.59Å; M122-W147 HydrophobicContact SD-CD2 4.17Å; M122-W147 HydrophobicContact SD-CE3 4.42Å; M122-W147 HydrophobicContact SD-CG 4.43Å; L128-W147 HydrophobicContact CB-CB 4.17Å; L128-W147 HydrophobicContact CD1-CB 4.02Å; C130-W147 HydrophobicContact CB-CE3 4.03Å; C130-W147 HydrophobicContact CB-CH2 4.22Å; C130-W147 HydrophobicContact CB-CZ3 3.79Å; R145-W147 PolarHBondContact O-NE1 2.92Å
148Y88.3Confident87.5Confident23 Ų2367 Ų679%0.0931%0.307CS..EExtended strand (participates in β ladder)trans-116143.5-168.2-50.8-78.4000111.4F129 C131 K146 E152 L153 H156 D161F129-Y148 PolarHBondContact N-O 3.48Å; F129-Y148 PolarHBondContact O-N 2.7Å; C131-Y148 HydrophobicContact CB-CE2 4.42Å; K146-Y148 HydrophobicContact CB-CE1 3.99Å; K146-Y148 HydrophobicContact CB-CE2 4.15Å; K146-Y148 WeakPolarHBondContact CB-OH 3.37Å; K146-Y148 HydrophobicContact CD-CE1 4.31Å; K146-Y148 WeakPolarHBondContact CD-OH 3.49Å; Y148-E152 HydrophobicContact CD1-CB 4.41Å; Y148-L153 HydrophobicContact CD2-CD1 4.1Å; Y148-H156 HydrophobicContact CE1-CB 4.49Å; Y148-H156 AromaticContact CE1-ND1 3.9Å; Y148-H156 AromaticContact CZ-CE1 3.65Å; Y148-H156 AromaticContact CZ-CG 3.9Å; Y148-H156 AromaticContact CZ-ND1 3.48Å; Y148-H156 PolarHBondContact OH-CE1 3.08Å; Y148-H156 PolarHBondContact OH-ND1 3.23Å; Y148-D161 VanDerWaalsContact CE1-OD1 3.31Å; Y148-D161 WeakPolarHBondContact CE1-OD1 3.5Å; Y148-D161 WeakPolarHBondContact CE1-OD2 3.18Å; Y148-D161 PolarHBondContact OH-OD2 3.16Å
149N90.9Very high87.3Confident71 Ų7171.7 Ų71.738%0.3833%0.328SS..EExtended strand (participates in β ladder)trans-65.6157.9162.4-165.2-45.9000109.5K151 E152 L153N149-K151 PolarHBondContact O-N 2.86Å; N149-K151 VanDerWaalsContact O-N 3.09Å; N149-E152 HydrophobicContact CB-CG 4.32Å; N149-E152 VanDerWaalsContact CB-OE2 3.25Å; N149-E152 WeakPolarHBondContact CB-OE2 3.32Å; N149-E152 PolarHBondContact N-OE2 3.15Å; N149-E152 WeakPolarHBondContact O-CB 3.49Å; N149-E152 PolarHBondContact O-N 3.29Å; N149-L153 PolarHBondContact O-N 3.21Å
150R89.9Confident87.3Confident199 Ų19966.8 Ų66.875%0.75131%0.307SS*.Hα-helixtrans-51.8-36.1-177.8-173.9175.7179.9172.80.9114F129 A154F129-R150 HydrophobicContact CE2-CB 4.21Å; R150-A154 PolarHBondContact O-N 2.93Å
151K89.9Confident87.1Confident181 Ų18165.6 Ų65.679%0.78730%0.301SS*.Hα-helixtrans-71.8-41.7175.6-66.7-178.1-179.7177.80112.4N149 A154 R155N149-K151 PolarHBondContact O-N 2.86Å; N149-K151 VanDerWaalsContact O-N 3.09Å; K151-A154 WeakPolarHBondContact O-CB 3.18Å; K151-A154 PolarHBondContact O-N 3.14Å; K151-R155 PolarHBondContact O-N 2.97Å; K151-R155 VanDerWaalsContact O-N 3.15Å
152E89.8Confident86.4Confident79 Ų7969.6 Ų69.637%0.36933%0.328SS..Hα-helixtrans-68.7-39.6-179.6-65.8160.517300110.8Y148 N149 A154 R155 H156Y148-E152 HydrophobicContact CD1-CB 4.41Å; N149-E152 HydrophobicContact CB-CG 4.32Å; N149-E152 VanDerWaalsContact CB-OE2 3.25Å; N149-E152 WeakPolarHBondContact CB-OE2 3.32Å; N149-E152 PolarHBondContact N-OE2 3.15Å; N149-E152 WeakPolarHBondContact O-CB 3.49Å; N149-E152 PolarHBondContact O-N 3.29Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.83Å; E152-R155 WeakPolarHBondContact O-CB 3.11Å; E152-R155 PolarHBondContact O-N 3.35Å; E152-R155 VanDerWaalsContact O-N 3.16Å; E152-H156 WeakPolarHBondContact O-CB 3.42Å; E152-H156 PolarHBondContact O-N 3.11Å
153L90.4Very high85.7Confident16 Ų1674.8 Ų74.88%0.08435%0.354CS..Hα-helixtrans-62.2-33.7174.2-178.956.7000112.4F129 C131 Y148 N149 R157F129-L153 HydrophobicContact CB-CD2 3.64Å; F129-L153 HydrophobicContact CG-CD2 4.43Å; C131-L153 HydrophobicContact CB-CD1 3.71Å; Y148-L153 HydrophobicContact CD2-CD1 4.1Å; N149-L153 PolarHBondContact O-N 3.21Å; L153-R157 HydrophobicContact CD1-CG 4.36Å; L153-R157 VanDerWaalsContact O-CG 3.25Å; L153-R157 WeakPolarHBondContact O-CG 3.36Å; L153-R157 PolarHBondContact O-N 2.93Å; L153-R157 VanDerWaalsContact O-N 3.14Å
154A89.3Confident85.2Confident59 Ų5974.1 Ų74.149%0.48836%0.355SS..Hα-helixtrans-68.7-43.2174.100000111.4R150 K151 E152 R157 A158R150-A154 PolarHBondContact O-N 2.93Å; K151-A154 WeakPolarHBondContact O-CB 3.18Å; K151-A154 PolarHBondContact O-N 3.14Å; E152-A154 VanDerWaalsContact C-N 3.27Å; E152-A154 PolarHBondContact O-N 2.83Å; A154-R157 PolarHBondContact O-N 2.87Å; A154-A158 WeakPolarHBondContact O-CB 3.2Å; A154-A158 PolarHBondContact O-N 3.34Å
155R89.5Confident84Confident118 Ų11878 Ų7845%0.44538%0.383SS..Hα-helixtrans-60.5-50.7173.2-178.1-178.366.4-167.6-1.3111.5K151 E152 R157 A158 H159 G160K151-R155 PolarHBondContact O-N 2.97Å; K151-R155 VanDerWaalsContact O-N 3.15Å; E152-R155 WeakPolarHBondContact O-CB 3.11Å; E152-R155 PolarHBondContact O-N 3.35Å; E152-R155 VanDerWaalsContact O-N 3.16Å; R155-R157 VanDerWaalsContact C-N 3.31Å; R155-R157 PolarHBondContact O-N 3.09Å; R155-A158 PolarHBondContact O-N 3.23Å; R155-H159 PolarHBondContact O-N 3.08Å; R155-G160 PolarHBondContact O-N 3.45Å
156H90.2Very high82.8Confident12 Ų1280.1 Ų80.16%0.05641%0.405CS..Hα-helixtrans-50.1-49.3176.8177.681.4000111.8C131 C134 Y148 E152 A158 G160 D161 G169 H170C131-H156 WeakPolarHBondContact CB-NE2 3.4Å; C134-H156 PolarHBondContact SG-NE2 3.28Å; C134-H156 VanDerWaalsContact SG-NE2 3.37Å; Y148-H156 HydrophobicContact CE1-CB 4.49Å; Y148-H156 AromaticContact CE1-ND1 3.9Å; Y148-H156 AromaticContact CZ-CE1 3.65Å; Y148-H156 AromaticContact CZ-CG 3.9Å; Y148-H156 AromaticContact CZ-ND1 3.48Å; Y148-H156 PolarHBondContact OH-CE1 3.08Å; Y148-H156 PolarHBondContact OH-ND1 3.23Å; E152-H156 WeakPolarHBondContact O-CB 3.42Å; E152-H156 PolarHBondContact O-N 3.11Å; H156-A158 VanDerWaalsContact C-N 3.32Å; H156-A158 PolarHBondContact O-N 3.1Å; H156-G160 WeakPolarHBondContact CA-O 3.44Å; H156-G160 WeakPolarHBondContact O-CA 3.19Å; H156-G160 PolarHBondContact O-N 3.05Å; H156-G160 VanDerWaalsContact O-N 3.09Å; H156-D161 IonicContact CE1-OD1 3.75Å; H156-D161 IonicContact CG-OD1 2.74Å; H156-D161 IonicContact ND1-OD1 3.52Å; H156-D161 PolarHBondContact ND1-OD1 1.75Å; H156-D161 IonicContact ND1-OD2 3.48Å; H156-G169 VanDerWaalsContact O-CA 3.25Å; H156-G169 WeakPolarHBondContact O-CA 3.34Å; H156-H170 AromaticContact NE2-NE2 3.77Å
157R88.2Confident81.9Confident91 Ų9180.1 Ų80.134%0.34341%0.406SS..Hα-helixtrans-66.8-27.3178.2-71.2173-176.7-157.43.8114.2L153 A154 R155 H170 R179L153-R157 HydrophobicContact CD1-CG 4.36Å; L153-R157 VanDerWaalsContact O-CG 3.25Å; L153-R157 WeakPolarHBondContact O-CG 3.36Å; L153-R157 PolarHBondContact O-N 2.93Å; L153-R157 VanDerWaalsContact O-N 3.14Å; A154-R157 PolarHBondContact O-N 2.87Å; R155-R157 VanDerWaalsContact C-N 3.31Å; R155-R157 PolarHBondContact O-N 3.09Å; R157-H170 PolarHBondContact O-N 2.9Å; R157-H170 VanDerWaalsContact O-N 3.08Å; R157-H170 VanDerWaalsContact O-O 3.08Å; R157-R179 PolarHBondContact O-NH1 3.34Å
158A86.8Confident81.1Confident46 Ų4688.4 Ų88.438%0.3844%0.437SS..Hα-helixtrans-99.4-34.8-171.800000114.5A154 R155 H156A154-A158 WeakPolarHBondContact O-CB 3.2Å; A154-A158 PolarHBondContact O-N 3.34Å; R155-A158 PolarHBondContact O-N 3.23Å; H156-A158 VanDerWaalsContact C-N 3.32Å; H156-A158 PolarHBondContact O-N 3.1Å
159H79.2Confident80.9Confident152 Ų15288 Ų8870%0.70444%0.44SS*.Hα-helixtrans-138.3-5.6-172.9-60.7-62000113.9R155 R168R155-H159 PolarHBondContact O-N 3.08Å; H159-R168 CarbonylContact C-O 3.48Å; H159-R168 CarbonylContact O-C 3.23Å
160G84.7Confident80.8Confident3 Ų385.1 Ų85.13%0.03142%0.424CS..  trans94.1-174.1-175.900000114.6R155 H156 H167 G169R155-G160 PolarHBondContact O-N 3.45Å; H156-G160 WeakPolarHBondContact CA-O 3.44Å; H156-G160 WeakPolarHBondContact O-CA 3.19Å; H156-G160 PolarHBondContact O-N 3.05Å; H156-G160 VanDerWaalsContact O-N 3.09Å; G160-H167 WeakPolarHBondContact CA-O 3.43Å; G160-G169 VanDerWaalsContact CA-N 3.35Å
161D82.8Confident80.8Confident16 Ų1676.7 Ų76.79%0.08640%0.395CS..  trans-87.7141.6169.9-83.46.4000110K146 Y148 H156 D163 D164K146-D161 WeakPolarHBondContact CD-OD2 3.22Å; K146-D161 IonicContact NZ-OD2 3.36Å; K146-D161 PolarHBondContact NZ-OD2 2.67Å; Y148-D161 VanDerWaalsContact CE1-OD1 3.31Å; Y148-D161 WeakPolarHBondContact CE1-OD1 3.5Å; Y148-D161 WeakPolarHBondContact CE1-OD2 3.18Å; Y148-D161 PolarHBondContact OH-OD2 3.16Å; H156-D161 IonicContact CE1-OD1 3.75Å; H156-D161 IonicContact CG-OD1 2.74Å; H156-D161 IonicContact ND1-OD1 3.52Å; H156-D161 PolarHBondContact ND1-OD1 1.75Å; H156-D161 IonicContact ND1-OD2 3.48Å; D161-D163 PolarHBondContact O-N 2.92Å; D161-D164 HydrophobicContact CB-CB 4.19Å; D161-D164 PolarHBondContact O-N 2.84Å
162P73.3Confident80.8Confident88 Ų8871.2 Ų71.257%0.57137%0.374SS*.THydrogen-bonded Turntrans-67.1-20.3175.630.5-35.1000112.6
163D70.1Confident80.8Confident126 Ų12667.5 Ų67.567%0.67436%0.357SS*.THydrogen-bonded Turntrans-91.1-18.2-176.2-41.6-70.6000113D161D161-D163 PolarHBondContact O-N 2.92Å
164D69.6Low80.5Confident54 Ų5475.8 Ų75.829%0.28939%0.392SS..  trans-116.384.1-174.6-63.81.2000111.2K146 D161 S166 H167K146-D164 IonicContact NZ-OD1 2.71Å; K146-D164 PolarHBondContact NZ-OD1 3.31Å; K146-D164 IonicContact NZ-OD2 2.81Å; K146-D164 PolarHBondContact NZ-OD2 3.33Å; D161-D164 HydrophobicContact CB-CB 4.19Å; D161-D164 PolarHBondContact O-N 2.84Å; D164-S166 PolarHBondContact O-N 3.1Å; D164-H167 PolarHBondContact O-N 3.01Å
165T61.7Low80.4Confident139 Ų13976.6 Ų76.685%0.85339%0.385SS*.THydrogen-bonded Turntrans-54.8-21.3-179.7-40.70000114.2
166S60.7Low80.2Confident90 Ų9073.4 Ų73.463%0.62938%0.38SS*.THydrogen-bonded Turntrans-72.3-27.6176.653.80000114.4D164D164-S166 PolarHBondContact O-N 3.1Å
167H65.9Low80Confident74 Ų7478.8 Ų78.834%0.34341%0.409SS..  trans-113.590.1-169.7-66.5-58.1000111.7G160 D164 G169G160-H167 WeakPolarHBondContact CA-O 3.43Å; D164-H167 PolarHBondContact O-N 3.01Å; H167-G169 PolarHBondContact O-N 3.11Å
168R72.9Confident79.9Confident219 Ų21979.9 Ų79.983%0.82642%0.418SS*.  trans-70.918.6179.6-65.6-175.3171.9-165.5-2.3115.4H159H159-R168 CarbonylContact C-O 3.48Å; H159-R168 CarbonylContact O-C 3.23Å
169G83.3Confident80Confident14 Ų1482 Ų8214%0.14442%0.416CS..  trans82.7177.4-17500000113.8H156 G160 H167 P171H156-G169 VanDerWaalsContact O-CA 3.25Å; H156-G169 WeakPolarHBondContact O-CA 3.34Å; G160-G169 VanDerWaalsContact CA-N 3.35Å; H167-G169 PolarHBondContact O-N 3.11Å; G169-P171 WeakPolarHBondContact O-CD 3.36Å
170H89.6Confident80.5Confident11 Ų1175.9 Ų75.95%0.05139%0.387CS..  trans-93.6108.3-172.2-65.3-36000111.1C131 L133 C134 H156 R157 R179 Y180 L181C131-H170 VanDerWaalsContact SG-CD2 3.51Å; C131-H170 PolarHBondContact SG-NE2 2.76Å; L133-H170 HydrophobicContact CD1-CB 3.81Å; C134-H170 PolarHBondContact SG-CE1 2.69Å; C134-H170 PolarHBondContact SG-NE2 3.28Å; H156-H170 AromaticContact NE2-NE2 3.77Å; R157-H170 PolarHBondContact O-N 2.9Å; R157-H170 VanDerWaalsContact O-N 3.08Å; R157-H170 VanDerWaalsContact O-O 3.08Å; H170-R179 HydrophobicContact CB-CB 4.31Å; H170-R179 PolarHBondContact O-NH1 2.7Å; H170-Y180 WeakPolarHBondContact CA-O 3.14Å; H170-Y180 VanDerWaalsContact CB-O 3.23Å; H170-Y180 WeakPolarHBondContact CB-O 3.14Å; H170-L181 PolarHBondContact ND1-O 3.13Å
171P88.3Confident80.6Confident23 Ų2376.9 Ų76.915%0.14939%0.392CS..PPolyproline II helixtrans-66.6143.6-174.830.1-37.1000111.3G169 R179 Y180 N183 L186G169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-R179 WeakPolarHBondContact O-CA 3.31Å; P171-Y180 WeakPolarHBondContact CD-O 3.41Å; P171-Y180 PolarHBondContact O-N 3.33Å; P171-Y180 VanDerWaalsContact O-N 3.13Å; P171-N183 WeakPolarHBondContact CB-OD1 3.34Å; P171-L186 HydrophobicContact CB-CD2 3.84Å; P171-L186 HydrophobicContact CG-CB 4.2Å; P171-L186 HydrophobicContact CG-CD2 4.22Å
172L90.1Very high80.8Confident65 Ų6579.1 Ų79.134%0.3440%0.404SS..BIsolated β-bridgetrans-96.2132.1-178.6-17376.7000109.2D177 E178 R179L172-D177 WeakPolarHBondContact CD1-O 3.43Å; L172-E178 CarbonylContact C-O 3.53Å; L172-E178 WeakPolarHBondContact CA-O 3.48Å; L172-R179 HydrophobicContact CB-CG 4.35Å; L172-R179 HydrophobicContact CD1-CG 3.54Å
173C89.9Confident81.4Confident1 Ų179.6 Ų79.61%0.00740%0.402CS..PPolyproline II helixtrans-72.7133.3167.1179.90000110.1F175 C176 D177 E178 Y180 L186 H189C173-F175 PolarHBondContact O-N 3.37Å; C173-C176 WeakPolarHBondContact CB-SG 3.23Å; C173-C176 VanDerWaalsContact SG-SG 3.61Å; C173-D177 PolarHBondContact O-N 3.46Å; C173-E178 PolarHBondContact N-O 3.26Å; C173-Y180 HydrophobicContact CB-CE2 3.93Å; C173-L186 HydrophobicContact CB-CD1 3.6Å; C173-H189 PolarHBondContact SG-NE2 3.42Å
174K84.8Confident82.3Confident190 Ų19078.7 Ų78.783%0.82640%0.397SS*.THydrogen-bonded Turntrans-73.7-7.9-176.9-60.6178.7-177174.10114.3
175F85.9Confident83.2Confident76 Ų7678.7 Ų78.733%0.33340%0.395SS..THydrogen-bonded Turntrans-115.1-27.3-169.7-51.4-63.1000113.3C173 L190 H194 Y208C173-F175 PolarHBondContact O-N 3.37Å; F175-L190 HydrophobicContact CD2-CD2 3.74Å; F175-L190 HydrophobicContact CE2-CD2 3.72Å; F175-H194 WeakPolarHBondContact CB-CE1 3.49Å; F175-H194 HydrophobicContact CD2-CB 4.4Å; F175-H194 AromaticContact CD2-CD2 3.84Å; F175-H194 AromaticContact CD2-CG 3.82Å; F175-Y208 VanDerWaalsContact CZ-O 3.22Å; F175-Y208 WeakPolarHBondContact CZ-O 3.42Å
176C86.8Confident84.5Confident51 Ų5173.1 Ų73.135%0.34536%0.36SS..THydrogen-bonded Turntrans-124.2-1.5-178.466.50000114.3C173 E178 H189C173-C176 WeakPolarHBondContact CB-SG 3.23Å; C173-C176 VanDerWaalsContact SG-SG 3.61Å; C176-E178 HydrophobicContact CB-CG 4.49Å; C176-E178 PolarHBondContact O-N 3.32Å; C176-H189 PolarHBondContact SG-NE2 3.3Å
177D84.7Confident85.8Confident125 Ų12571.5 Ų71.567%0.66834%0.344SS*.  trans54.814-175.1-81.2-41.8000115.8L172 C173L172-D177 WeakPolarHBondContact CD1-O 3.43Å; C173-D177 PolarHBondContact O-N 3.46Å
178E86.1Confident86.9Confident114 Ų11473.4 Ų73.453%0.53335%0.351SS..  trans-75.4153.7170.3-65.6-153.9149.900112.2L172 C173 C176 Y180L172-E178 CarbonylContact C-O 3.53Å; L172-E178 WeakPolarHBondContact CA-O 3.48Å; C173-E178 PolarHBondContact N-O 3.26Å; C176-E178 HydrophobicContact CB-CG 4.49Å; C176-E178 PolarHBondContact O-N 3.32Å; E178-Y180 HydrophobicContact CB-CE2 3.9Å; E178-Y180 WeakPolarHBondContact CB-OH 3.25Å; E178-Y180 PolarHBondContact OE2-OH 3.42Å
179R89.1Confident87.8Confident90 Ų9063.7 Ų63.734%0.3432%0.315SS..BIsolated β-bridgetrans-116.3133.3176-69.4-175.3-178.7-93.1-7.9111L133 R157 H170 P171 L172L133-R179 HydrophobicContact CD1-CB 3.77Å; L133-R179 WeakPolarHBondContact CD1-O 3.46Å; L133-R179 WeakPolarHBondContact CD2-O 3.4Å; R157-R179 PolarHBondContact O-NH1 3.34Å; H170-R179 HydrophobicContact CB-CB 4.31Å; H170-R179 PolarHBondContact O-NH1 2.7Å; P171-R179 WeakPolarHBondContact O-CA 3.31Å; L172-R179 HydrophobicContact CB-CG 4.35Å; L172-R179 HydrophobicContact CD1-CG 3.54Å
180Y89.4Confident88.1Confident25 Ų2564 Ų6410%0.09831%0.313CS..  trans-107.1167.1179.5-58.3-79000110.3H170 P171 C173 E178 E185 L186 H189H170-Y180 WeakPolarHBondContact CA-O 3.14Å; H170-Y180 VanDerWaalsContact CB-O 3.23Å; H170-Y180 WeakPolarHBondContact CB-O 3.14Å; P171-Y180 WeakPolarHBondContact CD-O 3.41Å; P171-Y180 PolarHBondContact O-N 3.33Å; P171-Y180 VanDerWaalsContact O-N 3.13Å; C173-Y180 HydrophobicContact CB-CE2 3.93Å; E178-Y180 HydrophobicContact CB-CE2 3.9Å; E178-Y180 WeakPolarHBondContact CB-OH 3.25Å; E178-Y180 PolarHBondContact OE2-OH 3.42Å; Y180-E185 HydrophobicContact CD1-CG 4.36Å; Y180-L186 HydrophobicContact CD2-CB 3.99Å; Y180-L186 HydrophobicContact CD2-CD1 3.73Å; Y180-L186 HydrophobicContact CD2-CG 4.46Å; Y180-L186 HydrophobicContact CE2-CD1 4Å; Y180-L186 HydrophobicContact CG-CB 4.33Å; Y180-H189 HydrophobicContact CD1-CB 4.38Å; Y180-H189 HydrophobicContact CE1-CB 3.91Å; Y180-H189 HydrophobicContact CE2-CB 4.16Å; Y180-H189 AromaticContact CE2-CD2 3.36Å; Y180-H189 WeakPolarHBondContact CE2-CD2 3.32Å; Y180-H189 AromaticContact CE2-CG 3.78Å; Y180-H189 AromaticContact CE2-NE2 3.99Å; Y180-H189 AromaticContact CZ-CD2 3.45Å; Y180-H189 VanDerWaalsContact CZ-CD2 3.45Å; Y180-H189 AromaticContact CZ-CG 3.42Å; Y180-H189 VanDerWaalsContact CZ-CG 3.42Å; Y180-H189 AromaticContact CZ-ND1 3.9Å; Y180-H189 AromaticContact CZ-NE2 3.96Å; Y180-H189 PolarHBondContact OH-CD2 3.48Å; Y180-H189 PolarHBondContact OH-CE1 3.03Å; Y180-H189 VanDerWaalsContact OH-CG 3.31Å; Y180-H189 PolarHBondContact OH-ND1 3.05Å; Y180-H189 PolarHBondContact OH-NE2 3.25Å
181L87Confident87.9Confident23 Ų2369.3 Ų69.312%0.1233%0.333CS..SBendtrans-61.1-53.6-178.2-171.772.7000111.1H137 L138 H170 E185H137-L181 HydrophobicContact CB-CD1 4.06Å; H137-L181 HydrophobicContact CB-CD2 3.73Å; H137-L181 HydrophobicContact CB-CG 4.37Å; L138-L181 HydrophobicContact CD2-CD2 4.27Å; L138-L181 HydrophobicContact CG-CD1 4.47Å; H170-L181 PolarHBondContact ND1-O 3.13Å; L181-E185 VanDerWaalsContact CB-OE2 3.23Å; L181-E185 WeakPolarHBondContact CB-OE2 3.25Å; L181-E185 PolarHBondContact N-OE2 3.21Å
182D87.1Confident87.8Confident64 Ų6477 Ų7734%0.34236%0.359SS..SBendtrans-140.8169.2-173.5-63.1-64.5000111D184 E185 L186D182-D184 VanDerWaalsContact C-N 3.26Å; D182-D184 PolarHBondContact O-N 3.3Å; D182-E185 PolarHBondContact O-N 3.25Å; D182-L186 PolarHBondContact O-N 3.01Å; D182-L186 VanDerWaalsContact O-N 3.11Å
183N86.9Confident87.7Confident98 Ų9878.6 Ų78.652%0.52437%0.368SS..Hα-helixtrans-60.4-32.2-179-70.1-54.5000113.4P171 E185 L186 L187P171-N183 WeakPolarHBondContact CB-OD1 3.34Å; N183-E185 VanDerWaalsContact C-N 3.3Å; N183-E185 PolarHBondContact O-N 3.46Å; N183-L186 PolarHBondContact O-N 2.87Å; N183-L187 WeakPolarHBondContact O-CB 3.43Å; N183-L187 WeakPolarHBondContact O-CG 3.44Å; N183-L187 PolarHBondContact O-N 3.14Å
184D88.1Confident87.7Confident106 Ų10679.7 Ų79.757%0.56737%0.373SS*.Hα-helixtrans-66.6-32176.1-72.9-5.4000112.7D182 K188D182-D184 VanDerWaalsContact C-N 3.26Å; D182-D184 PolarHBondContact O-N 3.3Å; D184-K188 WeakPolarHBondContact O-CB 3.39Å; D184-K188 WeakPolarHBondContact O-CD 3.39Å; D184-K188 WeakPolarHBondContact O-CE 3.41Å; D184-K188 WeakPolarHBondContact O-CG 3.38Å; D184-K188 PolarHBondContact O-N 2.88Å; D184-K188 VanDerWaalsContact O-N 3.08Å
185E88.4Confident87.8Confident55 Ų5575.3 Ų75.326%0.25735%0.352SS..Hα-helixtrans-77.7-38.6177.9-162.4175-109.700110.2H137 Y180 L181 D182 N183 K188 H189H137-E185 VanDerWaalsContact CE1-CD 3.5Å; H137-E185 IonicContact CE1-OE1 2.71Å; H137-E185 PolarHBondContact CE1-OE1 3.07Å; H137-E185 IonicContact CE1-OE2 2.73Å; H137-E185 PolarHBondContact CE1-OE2 2.75Å; H137-E185 VanDerWaalsContact CE1-OE2 3.26Å; H137-E185 IonicContact ND1-OE1 3.41Å; H137-E185 PolarHBondContact ND1-OE1 3.37Å; H137-E185 IonicContact ND1-OE2 3.9Å; H137-E185 PolarHBondContact ND1-OE2 3.24Å; Y180-E185 HydrophobicContact CD1-CG 4.36Å; L181-E185 VanDerWaalsContact CB-OE2 3.23Å; L181-E185 WeakPolarHBondContact CB-OE2 3.25Å; L181-E185 PolarHBondContact N-OE2 3.21Å; D182-E185 PolarHBondContact O-N 3.25Å; N183-E185 VanDerWaalsContact C-N 3.3Å; N183-E185 PolarHBondContact O-N 3.46Å; E185-K188 PolarHBondContact O-N 3.43Å; E185-H189 PolarHBondContact O-N 3.09Å
186L90.5Very high87.9Confident21 Ų2174 Ų7411%0.1135%0.346CS..Hα-helixtrans-58.5-46.7167171.960.2000111.9P171 C173 Y180 D182 N183 K188 H189 L190P171-L186 HydrophobicContact CB-CD2 3.84Å; P171-L186 HydrophobicContact CG-CB 4.2Å; P171-L186 HydrophobicContact CG-CD2 4.22Å; C173-L186 HydrophobicContact CB-CD1 3.6Å; Y180-L186 HydrophobicContact CD2-CB 3.99Å; Y180-L186 HydrophobicContact CD2-CD1 3.73Å; Y180-L186 HydrophobicContact CD2-CG 4.46Å; Y180-L186 HydrophobicContact CE2-CD1 4Å; Y180-L186 HydrophobicContact CG-CB 4.33Å; D182-L186 PolarHBondContact O-N 3.01Å; D182-L186 VanDerWaalsContact O-N 3.11Å; N183-L186 PolarHBondContact O-N 2.87Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.95Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 2.79Å; L186-H189 VanDerWaalsContact O-N 3.1Å; L186-L190 HydrophobicContact CD1-CD1 3.96Å; L186-L190 HydrophobicContact CD1-CD2 4.34Å; L186-L190 HydrophobicContact CD1-CG 3.85Å; L186-L190 HydrophobicContact CG-CD1 3.89Å; L186-L190 HydrophobicContact CG-CG 4.25Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.28Å
187L87.9Confident87.9Confident56 Ų5671.7 Ų71.729%0.29333%0.33SS..Hα-helixtrans-64.7-28.9177.4-75.4167.2000112.8N183 L190 R191 Y208N183-L187 WeakPolarHBondContact O-CB 3.43Å; N183-L187 WeakPolarHBondContact O-CG 3.44Å; N183-L187 PolarHBondContact O-N 3.14Å; L187-L190 HydrophobicContact CD2-CD1 4.39Å; L187-R191 WeakPolarHBondContact O-CG 3.35Å; L187-R191 PolarHBondContact O-N 3.33Å; L187-Y208 HydrophobicContact CD2-CE2 4.29Å
188K89.3Confident87.9Confident115 Ų11571.3 Ų71.350%0.532%0.324SS..Hα-helixtrans-75.8-25.2173.1-74.5161.5-164.5157.90113D184 E185 L186 R192D184-K188 WeakPolarHBondContact O-CB 3.39Å; D184-K188 WeakPolarHBondContact O-CD 3.39Å; D184-K188 WeakPolarHBondContact O-CE 3.41Å; D184-K188 WeakPolarHBondContact O-CG 3.38Å; D184-K188 PolarHBondContact O-N 2.88Å; D184-K188 VanDerWaalsContact O-N 3.08Å; E185-K188 PolarHBondContact O-N 3.43Å; L186-K188 VanDerWaalsContact C-N 3.26Å; L186-K188 PolarHBondContact O-N 2.95Å; K188-R192 WeakPolarHBondContact O-CG 3.32Å; K188-R192 PolarHBondContact O-NH1 3.26Å
189H90.6Very high88Confident15 Ų1568.7 Ų68.77%0.06931%0.311CS..Hα-helixtrans-77.3-51.3169.6156.764000110.6C173 C176 Y180 E185 L186 R191 R192 D193 H194C173-H189 PolarHBondContact SG-NE2 3.42Å; C176-H189 PolarHBondContact SG-NE2 3.3Å; Y180-H189 HydrophobicContact CD1-CB 4.38Å; Y180-H189 HydrophobicContact CE1-CB 3.91Å; Y180-H189 HydrophobicContact CE2-CB 4.16Å; Y180-H189 AromaticContact CE2-CD2 3.36Å; Y180-H189 WeakPolarHBondContact CE2-CD2 3.32Å; Y180-H189 AromaticContact CE2-CG 3.78Å; Y180-H189 AromaticContact CE2-NE2 3.99Å; Y180-H189 AromaticContact CZ-CD2 3.45Å; Y180-H189 VanDerWaalsContact CZ-CD2 3.45Å; Y180-H189 AromaticContact CZ-CG 3.42Å; Y180-H189 VanDerWaalsContact CZ-CG 3.42Å; Y180-H189 AromaticContact CZ-ND1 3.9Å; Y180-H189 AromaticContact CZ-NE2 3.96Å; Y180-H189 PolarHBondContact OH-CD2 3.48Å; Y180-H189 PolarHBondContact OH-CE1 3.03Å; Y180-H189 VanDerWaalsContact OH-CG 3.31Å; Y180-H189 PolarHBondContact OH-ND1 3.05Å; Y180-H189 PolarHBondContact OH-NE2 3.25Å; E185-H189 PolarHBondContact O-N 3.09Å; L186-H189 WeakPolarHBondContact O-CB 3.42Å; L186-H189 PolarHBondContact O-N 2.79Å; L186-H189 VanDerWaalsContact O-N 3.1Å; H189-R191 PolarHBondContact O-N 2.67Å; H189-R191 VanDerWaalsContact O-N 3.09Å; H189-R192 PolarHBondContact O-N 3.28Å; H189-D193 IonicContact CE1-OD2 2.75Å; H189-D193 IonicContact CG-OD2 3.1Å; H189-D193 IonicContact ND1-OD2 3.15Å; H189-D193 PolarHBondContact ND1-OD2 3.13Å; H189-D193 PolarHBondContact O-N 2.87Å; H189-H194 AromaticContact CE1-CD2 3.68Å; H189-H194 AromaticContact CE1-NE2 3.46Å; H189-H194 PolarHBondContact CE1-NE2 2.99Å; H189-H194 AromaticContact NE2-CD2 3.42Å; H189-H194 PolarHBondContact NE2-CD2 3.5Å; H189-H194 AromaticContact NE2-NE2 3.28Å; H189-H194 PolarHBondContact NE2-NE2 3.33Å
190L88.9Confident87.9Confident19 Ų1965 Ų6510%0.09930%0.299CS..Hα-helixtrans-54.7-33-179.2-72.2173.1000113.8F175 L186 L187 H194 Y208F175-L190 HydrophobicContact CD2-CD2 3.74Å; F175-L190 HydrophobicContact CE2-CD2 3.72Å; L186-L190 HydrophobicContact CD1-CD1 3.96Å; L186-L190 HydrophobicContact CD1-CD2 4.34Å; L186-L190 HydrophobicContact CD1-CG 3.85Å; L186-L190 HydrophobicContact CG-CD1 3.89Å; L186-L190 HydrophobicContact CG-CG 4.25Å; L186-L190 WeakPolarHBondContact O-CB 3.44Å; L186-L190 VanDerWaalsContact O-CG 3.32Å; L186-L190 WeakPolarHBondContact O-CG 3.47Å; L186-L190 PolarHBondContact O-N 3.28Å; L187-L190 HydrophobicContact CD2-CD1 4.39Å; L190-H194 VanDerWaalsContact O-O 3.12Å; L190-Y208 HydrophobicContact CB-CD1 3.8Å; L190-Y208 HydrophobicContact CB-CD2 4.23Å; L190-Y208 HydrophobicContact CB-CE1 3.62Å; L190-Y208 HydrophobicContact CB-CE2 4.04Å; L190-Y208 HydrophobicContact CB-CG 4.11Å; L190-Y208 HydrophobicContact CD1-CD2 4.04Å; L190-Y208 HydrophobicContact CD1-CE2 3.94Å; L190-Y208 HydrophobicContact CD2-CG 4.43Å; L190-Y208 VanDerWaalsContact O-CD1 3.26Å; L190-Y208 WeakPolarHBondContact O-CD1 3.4Å; L190-Y208 WeakPolarHBondContact O-CE1 3.46Å
191R86.1Confident87.7Confident123 Ų12366.6 Ų66.646%0.46431%0.309SS..Hα-helixtrans-83.7-9.2175.9-65.9-178-152.8-135.59.2115.5L187 H189 Q206 Y208L187-R191 WeakPolarHBondContact O-CG 3.35Å; L187-R191 PolarHBondContact O-N 3.33Å; H189-R191 PolarHBondContact O-N 2.67Å; H189-R191 VanDerWaalsContact O-N 3.09Å; R191-Q206 VanDerWaalsContact CZ-NE2 3.35Å; R191-Y208 HydrophobicContact CG-CE1 3.81Å; R191-Y208 WeakPolarHBondContact CG-OH 3.26Å
192R87.3Confident87.6Confident185 Ų18569 Ų6970%0.69833%0.333SS*.Hα-helixtrans-104.1-46178.3-73.5-171.2-174.2104.8-11.6112K188 H189K188-R192 WeakPolarHBondContact O-CG 3.32Å; K188-R192 PolarHBondContact O-NH1 3.26Å; H189-R192 PolarHBondContact O-N 3.28Å
193D86.9Confident87.4Confident99 Ų9970.5 Ų70.553%0.52934%0.341SS..Hα-helixtrans-108.8-5.4-163.5-48-51.1000112.2H189H189-D193 IonicContact CE1-OD2 2.75Å; H189-D193 IonicContact CG-OD2 3.1Å; H189-D193 IonicContact ND1-OD2 3.15Å; H189-D193 PolarHBondContact ND1-OD2 3.13Å; H189-D193 PolarHBondContact O-N 2.87Å
194H90Very high87.1Confident24 Ų2469 Ų6911%0.11135%0.348CS..SBendtrans-129.4153.1175.4-66.7-58.5000112.2F175 H189 L190F175-H194 WeakPolarHBondContact CB-CE1 3.49Å; F175-H194 HydrophobicContact CD2-CB 4.4Å; F175-H194 AromaticContact CD2-CD2 3.84Å; F175-H194 AromaticContact CD2-CG 3.82Å; H189-H194 AromaticContact CE1-CD2 3.68Å; H189-H194 AromaticContact CE1-NE2 3.46Å; H189-H194 PolarHBondContact CE1-NE2 2.99Å; H189-H194 AromaticContact NE2-CD2 3.42Å; H189-H194 PolarHBondContact NE2-CD2 3.5Å; H189-H194 AromaticContact NE2-NE2 3.28Å; H189-H194 PolarHBondContact NE2-NE2 3.33Å; L190-H194 VanDerWaalsContact O-O 3.12Å
195Y87.3Confident86.7Confident98 Ų9866.3 Ų66.338%0.38434%0.338SS..EExtended strand (participates in β ladder)trans-83.8141.6-173.5-60.2-79.2000110.7Y208 Y209 S210 F236Y195-Y208 CarbonylContact O-C 3.44Å; Y195-Y208 WeakPolarHBondContact O-CA 3.46Å; Y195-Y209 PolarHBondContact N-O 3.26Å; Y195-Y209 PolarHBondContact O-N 2.83Å; Y195-S210 WeakPolarHBondContact CD2-O 3.46Å; Y195-F236 AromaticContact CD1-CE1 3.81Å; Y195-F236 HydrophobicContact CD1-CE1 3.81Å; Y195-F236 AromaticContact CD1-CZ 3.7Å; Y195-F236 HydrophobicContact CD1-CZ 3.7Å; Y195-F236 HydrophobicContact CE1-CE1 4.24Å; Y195-F236 AromaticContact CE1-CZ 3.64Å; Y195-F236 HydrophobicContact CE1-CZ 3.64Å
196F88Confident86Confident49 Ų4967.3 Ų67.322%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-135.7147.7178.365.7-86.7000111.2H198 D201 Y208F196-H198 AromaticContact CD2-ND1 3.74Å; F196-H198 AromaticContact CE2-CE1 3.56Å; F196-H198 AromaticContact CE2-CG 3.91Å; F196-H198 AromaticContact CE2-ND1 3.43Å; F196-H198 WeakPolarHBondContact CE2-ND1 3.38Å; F196-H198 AromaticContact CZ-CE1 3.51Å; F196-H198 AromaticContact CZ-ND1 3.9Å; F196-H198 AromaticContact CZ-NE2 3.91Å; F196-H198 PolarHBondContact O-N 3.25Å; F196-H198 PolarHBondContact O-ND1 3.26Å; F196-D201 HydrophobicContact CD2-CB 4.24Å; F196-Y208 HydrophobicContact CB-CD1 3.94Å; F196-Y208 HydrophobicContact CB-CE1 4.24Å
197C87.4Confident85.5Confident1 Ų171.2 Ų71.21%0.00736%0.36CS..  trans-76.4116.9176.2176.20000110.6F199 C200 D201 Y209 L215 H218 F219 H223C197-F199 VanDerWaalsContact C-N 3.27Å; C197-F199 PolarHBondContact O-N 2.76Å; C197-C200 HydrophobicContact CB-CB 3.89Å; C197-C200 PolarHBondContact O-N 3.08Å; C197-C200 PolarHBondContact SG-N 3.35Å; C197-D201 PolarHBondContact O-N 3.48Å; C197-Y209 HydrophobicContact CB-CE2 4.41Å; C197-L215 HydrophobicContact CB-CD1 3.91Å; C197-H218 WeakPolarHBondContact CB-NE2 3.12Å; C197-H218 PolarHBondContact SG-NE2 3.4Å; C197-F219 HydrophobicContact CB-CE1 4.32Å; C197-H223 VanDerWaalsContact SG-CD2 3.52Å; C197-H223 PolarHBondContact SG-NE2 2.94Å
198H84.8Confident85.4Confident117 Ų11769.9 Ų69.954%0.54235%0.351SS..Hα-helixtrans-69.8-23.7-176.7-67.139.5000112.9F196 A202F196-H198 AromaticContact CD2-ND1 3.74Å; F196-H198 AromaticContact CE2-CE1 3.56Å; F196-H198 AromaticContact CE2-CG 3.91Å; F196-H198 AromaticContact CE2-ND1 3.43Å; F196-H198 WeakPolarHBondContact CE2-ND1 3.38Å; F196-H198 AromaticContact CZ-CE1 3.51Å; F196-H198 AromaticContact CZ-ND1 3.9Å; F196-H198 AromaticContact CZ-NE2 3.91Å; F196-H198 PolarHBondContact O-N 3.25Å; F196-H198 PolarHBondContact O-ND1 3.26Å; H198-A202 PolarHBondContact O-N 3.02Å
199F86.5Confident85.3Confident59 Ų5965.7 Ų65.726%0.25933%0.332SS..Hα-helixtrans-77.7-40174.3-53.7-61.1000111.6C197 A202 D203 F219 H223 A239 R241C197-F199 VanDerWaalsContact C-N 3.27Å; C197-F199 PolarHBondContact O-N 2.76Å; F199-A202 PolarHBondContact O-N 2.91Å; F199-D203 PolarHBondContact O-N 3.44Å; F199-F219 HydrophobicContact CD2-CE1 4.17Å; F199-F219 HydrophobicContact CE2-CE1 4.25Å; F199-H223 AromaticContact CD2-CD2 3.95Å; F199-A239 HydrophobicContact CE2-CB 3.99Å; F199-A239 WeakPolarHBondContact CE2-O 3.35Å; F199-A239 VanDerWaalsContact CZ-O 3.22Å; F199-A239 WeakPolarHBondContact CZ-O 3.5Å; F199-R241 HydrophobicContact CD1-CB 3.87Å; F199-R241 HydrophobicContact CE1-CB 4.23Å; F199-R241 HydrophobicContact CG-CB 4.21Å
200C86.6Confident85Confident13 Ų1366.5 Ų66.59%0.08834%0.34CS..Hα-helixtrans-68.6-42.3175.8-75.60000113.1C197 A202 D203 G204 S205 H218C197-C200 HydrophobicContact CB-CB 3.89Å; C197-C200 PolarHBondContact O-N 3.08Å; C197-C200 PolarHBondContact SG-N 3.35Å; C200-A202 PolarHBondContact O-N 2.99Å; C200-D203 CarbonylContact O-C 3.57Å; C200-D203 WeakPolarHBondContact O-CA 3.25Å; C200-D203 PolarHBondContact O-N 3.19Å; C200-G204 PolarHBondContact O-N 3.43Å; C200-S205 CarbonylContact C-O 3.53Å; C200-S205 VanDerWaalsContact C-O 3.24Å; C200-S205 WeakPolarHBondContact CA-OG 3.5Å; C200-S205 VanDerWaalsContact CB-O 3.3Å; C200-S205 WeakPolarHBondContact CB-O 3.35Å; C200-S205 VanDerWaalsContact CB-OG 3.24Å; C200-S205 WeakPolarHBondContact CB-OG 3.34Å; C200-S205 PolarHBondContact O-N 3.36Å; C200-S205 PolarHBondContact O-OG 3.13Å; C200-H218 VanDerWaalsContact SG-CE1 3.56Å
201D86.3Confident84.9Confident58 Ų5869.6 Ų69.631%0.3136%0.356SS..Hα-helixtrans-61.3-35.4175.9-168.465.2000111.4F196 C197 D203 G204 Q206F196-D201 HydrophobicContact CD2-CB 4.24Å; C197-D201 PolarHBondContact O-N 3.48Å; D201-D203 VanDerWaalsContact C-N 3.31Å; D201-D203 PolarHBondContact O-N 3.34Å; D201-G204 PolarHBondContact O-N 2.8Å; D201-Q206 PolarHBondContact OD1-NE2 3.49Å
202A84.5Confident84.8Confident75 Ų7566 Ų6662%0.6234%0.343SS*.Hα-helixtrans-68.5-24.9173.200000114.2H198 F199 C200H198-A202 PolarHBondContact O-N 3.02Å; F199-A202 PolarHBondContact O-N 2.91Å; C200-A202 PolarHBondContact O-N 2.99Å
203D83.3Confident84.8Confident95 Ų9564.1 Ų64.151%0.50834%0.342SS..Hα-helixtrans-94.4-1.3173.8-76.4-13.9000113.2F199 C200 D201 R241F199-D203 PolarHBondContact O-N 3.44Å; C200-D203 CarbonylContact O-C 3.57Å; C200-D203 WeakPolarHBondContact O-CA 3.25Å; C200-D203 PolarHBondContact O-N 3.19Å; D201-D203 VanDerWaalsContact C-N 3.31Å; D201-D203 PolarHBondContact O-N 3.34Å; D203-R241 IonicContact OD1-CZ 3.92Å; D203-R241 IonicContact OD1-NH1 3.8Å; D203-R241 PolarHBondContact OD1-NH1 2.83Å; D203-R241 IonicContact OD1-NH2 2.59Å; D203-R241 PolarHBondContact OD1-NH2 3.39Å; D203-R241 IonicContact OD2-CZ 2.94Å; D203-R241 IonicContact OD2-NE 2.7Å; D203-R241 IonicContact OD2-NH1 2.82Å; D203-R241 PolarHBondContact OD2-NH1 2.84Å; D203-R241 IonicContact OD2-NH2 2.86Å; D203-R241 PolarHBondContact OD2-NH2 3.41Å
204G79.9Confident84.8Confident65 Ų6565.7 Ų65.767%0.6734%0.342SS*.THydrogen-bonded Turntrans88.32.1177.200000115.6C200 D201C200-G204 PolarHBondContact O-N 3.43Å; D201-G204 PolarHBondContact O-N 2.8Å
205S79.8Confident84.7Confident51 Ų5164.6 Ų64.636%0.35734%0.337SS..  trans-88.4103.1171.746.30000110.3C200 E207C200-S205 CarbonylContact C-O 3.53Å; C200-S205 VanDerWaalsContact C-O 3.24Å; C200-S205 WeakPolarHBondContact CA-OG 3.5Å; C200-S205 VanDerWaalsContact CB-O 3.3Å; C200-S205 WeakPolarHBondContact CB-O 3.35Å; C200-S205 VanDerWaalsContact CB-OG 3.24Å; C200-S205 WeakPolarHBondContact CB-OG 3.34Å; C200-S205 PolarHBondContact O-N 3.36Å; C200-S205 PolarHBondContact O-OG 3.13Å; S205-E207 PolarHBondContact O-N 3.27Å
206Q73.8Confident84.6Confident75 Ų7560.8 Ų60.835%0.3533%0.325SS..  trans-9670.6-172-164.6159.98900112.2R191 D201 Y208R191-Q206 VanDerWaalsContact CZ-NE2 3.35Å; D201-Q206 PolarHBondContact OD1-NE2 3.49Å; Q206-Y208 VanDerWaalsContact CD-OH 3.29Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 WeakPolarHBondContact CG-OH 3.48Å; Q206-Y208 PolarHBondContact OE1-OH 3.25Å
207E79.9Confident84.6Confident104 Ų10462.7 Ų62.749%0.48633%0.334SS..  trans-88.8141.3173.2-68.2-175.4-162.300111.9S205 Y209S205-E207 PolarHBondContact O-N 3.27Å; E207-Y209 HydrophobicContact CB-CE1 4.46Å; E207-Y209 HydrophobicContact CB-CE2 4.28Å; E207-Y209 WeakPolarHBondContact CB-OH 3.49Å; E207-Y209 PolarHBondContact OE2-OH 2.91Å
208Y87Confident84.7Confident27 Ų2763.7 Ų63.711%0.10634%0.339CS..EExtended strand (participates in β ladder)trans-125.4149.7179-59.7-87.8000109.6F175 L187 L190 R191 Y195 F196 Q206F175-Y208 VanDerWaalsContact CZ-O 3.22Å; F175-Y208 WeakPolarHBondContact CZ-O 3.42Å; L187-Y208 HydrophobicContact CD2-CE2 4.29Å; L190-Y208 HydrophobicContact CB-CD1 3.8Å; L190-Y208 HydrophobicContact CB-CD2 4.23Å; L190-Y208 HydrophobicContact CB-CE1 3.62Å; L190-Y208 HydrophobicContact CB-CE2 4.04Å; L190-Y208 HydrophobicContact CB-CG 4.11Å; L190-Y208 HydrophobicContact CD1-CD2 4.04Å; L190-Y208 HydrophobicContact CD1-CE2 3.94Å; L190-Y208 HydrophobicContact CD2-CG 4.43Å; L190-Y208 VanDerWaalsContact O-CD1 3.26Å; L190-Y208 WeakPolarHBondContact O-CD1 3.4Å; L190-Y208 WeakPolarHBondContact O-CE1 3.46Å; R191-Y208 HydrophobicContact CG-CE1 3.81Å; R191-Y208 WeakPolarHBondContact CG-OH 3.26Å; Y195-Y208 CarbonylContact O-C 3.44Å; Y195-Y208 WeakPolarHBondContact O-CA 3.46Å; F196-Y208 HydrophobicContact CB-CD1 3.94Å; F196-Y208 HydrophobicContact CB-CE1 4.24Å; Q206-Y208 VanDerWaalsContact CD-OH 3.29Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 WeakPolarHBondContact CG-OH 3.48Å; Q206-Y208 PolarHBondContact OE1-OH 3.25Å
209Y86.4Confident84.9Confident27 Ų2758.5 Ų58.511%0.10631%0.314CS..EExtended strand (participates in β ladder)trans-132.3142.2-177-47-79.9000109.4Y195 C197 E207 D211 L215 H218Y195-Y209 PolarHBondContact N-O 3.26Å; Y195-Y209 PolarHBondContact O-N 2.83Å; C197-Y209 HydrophobicContact CB-CE2 4.41Å; E207-Y209 HydrophobicContact CB-CE1 4.46Å; E207-Y209 HydrophobicContact CB-CE2 4.28Å; E207-Y209 WeakPolarHBondContact CB-OH 3.49Å; E207-Y209 PolarHBondContact OE2-OH 2.91Å; Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.08Å; Y209-L215 HydrophobicContact CD2-CB 3.97Å; Y209-L215 HydrophobicContact CD2-CD1 3.66Å; Y209-L215 HydrophobicContact CD2-CG 4.36Å; Y209-L215 HydrophobicContact CE2-CD1 3.68Å; Y209-L215 HydrophobicContact CG-CB 4.28Å; Y209-H218 HydrophobicContact CE1-CB 4.15Å; Y209-H218 HydrophobicContact CE2-CB 4.46Å; Y209-H218 AromaticContact CZ-CG 3.71Å; Y209-H218 AromaticContact CZ-ND1 3.83Å; Y209-H218 PolarHBondContact OH-CE1 3.02Å; Y209-H218 VanDerWaalsContact OH-CE1 3.26Å; Y209-H218 PolarHBondContact OH-ND1 3.04Å
210S85Confident84.9Confident32 Ų3261.5 Ų61.522%0.22432%0.324CS..SBendtrans-63.1-41.5179.252.80000112.1Y195 Y214Y195-S210 WeakPolarHBondContact CD2-O 3.46Å; S210-Y214 WeakPolarHBondContact OG-CD2 3.46Å
211D85.9Confident84.9Confident84 Ų8469.2 Ų69.245%0.44936%0.359SS..SBendtrans-134.2156.4-166.9-59.6-84.7000112.2Y209 Q213 Y214 L215Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.08Å; D211-Q213 PolarHBondContact O-N 3.09Å; D211-Y214 HydrophobicContact CB-CD2 4.24Å; D211-Y214 PolarHBondContact O-N 2.97Å; D211-L215 PolarHBondContact O-N 3.27Å
212Y84.4Confident84.8Confident47 Ų4769.2 Ų69.218%0.18436%0.363CS..Hα-helixtrans-58-29.1174.1-176.9-105.5000113.3L215 S216 Q235 F236Y212-L215 PolarHBondContact O-N 2.98Å; Y212-S216 WeakPolarHBondContact O-CB 3.48Å; Y212-S216 PolarHBondContact O-N 3.15Å; Y212-S216 PolarHBondContact O-OG 3.3Å; Y212-Q235 HydrophobicContact CD1-CG 4.25Å; Y212-Q235 HydrophobicContact CE1-CB 4.24Å; Y212-Q235 HydrophobicContact CE1-CG 3.85Å; Y212-Q235 HydrophobicContact CE2-CB 3.97Å; Y212-Q235 HydrophobicContact CE2-CG 4.43Å; Y212-Q235 WeakPolarHBondContact OH-CA 3.49Å; Y212-F236 HydrophobicContact CD2-CD1 4.07Å; Y212-F236 HydrophobicContact CD2-CD2 4.46Å; Y212-F236 AromaticContact CD2-CE1 3.49Å; Y212-F236 HydrophobicContact CD2-CE1 3.49Å; Y212-F236 VanDerWaalsContact CD2-CE1 3.49Å; Y212-F236 AromaticContact CD2-CE2 3.91Å; Y212-F236 HydrophobicContact CD2-CE2 3.91Å; Y212-F236 AromaticContact CD2-CZ 3.38Å; Y212-F236 HydrophobicContact CD2-CZ 3.38Å; Y212-F236 AromaticContact CE2-CD1 3.76Å; Y212-F236 HydrophobicContact CE2-CD1 3.76Å; Y212-F236 HydrophobicContact CE2-CD2 4.1Å; Y212-F236 AromaticContact CE2-CE1 3.7Å; Y212-F236 HydrophobicContact CE2-CE1 3.7Å; Y212-F236 HydrophobicContact CE2-CE2 4.01Å; Y212-F236 AromaticContact CE2-CG 3.95Å; Y212-F236 HydrophobicContact CE2-CG 3.95Å; Y212-F236 AromaticContact CE2-CZ 3.8Å; Y212-F236 HydrophobicContact CE2-CZ 3.8Å; Y212-F236 HydrophobicContact CG-CZ 4.37Å; Y212-F236 PolarHBondContact OH-N 3.28Å; Y212-F236 VanDerWaalsContact OH-N 3.13Å
213Q87Confident85.1Confident146 Ų14666.6 Ų66.668%0.68234%0.338SS*.Hα-helixtrans-61.1-53.2178.9-68.8-174.5-5.700111.2D211 L215 S216 E217D211-Q213 PolarHBondContact O-N 3.09Å; Q213-L215 VanDerWaalsContact C-N 3.34Å; Q213-L215 PolarHBondContact O-N 3.21Å; Q213-S216 WeakPolarHBondContact O-CA 3.12Å; Q213-S216 WeakPolarHBondContact O-CB 3.45Å; Q213-S216 PolarHBondContact O-N 3.16Å; Q213-S216 PolarHBondContact O-OG 3.41Å; Q213-E217 PolarHBondContact O-N 3.37Å
214Y87.1Confident85.3Confident132 Ų13266.9 Ų66.952%0.51833%0.333SS..Hα-helixtrans-63-37.3177.3-65.7-60.6000112.9S210 D211 S216 E217 H218S210-Y214 WeakPolarHBondContact OG-CD2 3.46Å; D211-Y214 HydrophobicContact CB-CD2 4.24Å; D211-Y214 PolarHBondContact O-N 2.97Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 2.8Å; Y214-E217 WeakPolarHBondContact CD1-OE2 3.41Å; Y214-E217 PolarHBondContact O-N 3.37Å; Y214-H218 PolarHBondContact O-N 3.35Å
215L88.1Confident85.7Confident1 Ų165.2 Ų65.21%0.00531%0.309CS..Hα-helixtrans-65-36.5172.3177.463.2000111.9C197 Y209 D211 Y212 Q213 H218 F219 F236C197-L215 HydrophobicContact CB-CD1 3.91Å; Y209-L215 HydrophobicContact CD2-CB 3.97Å; Y209-L215 HydrophobicContact CD2-CD1 3.66Å; Y209-L215 HydrophobicContact CD2-CG 4.36Å; Y209-L215 HydrophobicContact CE2-CD1 3.68Å; Y209-L215 HydrophobicContact CG-CB 4.28Å; D211-L215 PolarHBondContact O-N 3.27Å; Y212-L215 PolarHBondContact O-N 2.98Å; Q213-L215 VanDerWaalsContact C-N 3.34Å; Q213-L215 PolarHBondContact O-N 3.21Å; L215-H218 PolarHBondContact O-N 3.31Å; L215-F219 HydrophobicContact CD1-CD1 4.38Å; L215-F219 HydrophobicContact CD1-CD2 4.37Å; L215-F219 HydrophobicContact CD1-CE1 4Å; L215-F219 HydrophobicContact CD1-CE2 4Å; L215-F219 HydrophobicContact CD1-CZ 3.79Å; L215-F219 HydrophobicContact CD2-CE2 3.74Å; L215-F219 HydrophobicContact CD2-CZ 3.91Å; L215-F219 HydrophobicContact CG-CD2 3.96Å; L215-F219 HydrophobicContact CG-CE1 4.48Å; L215-F219 HydrophobicContact CG-CE2 3.56Å; L215-F219 HydrophobicContact CG-CZ 3.85Å; L215-F219 WeakPolarHBondContact O-CB 3.45Å; L215-F219 WeakPolarHBondContact O-CD2 3.22Å; L215-F219 WeakPolarHBondContact O-CG 3.43Å; L215-F219 PolarHBondContact O-N 3.47Å; L215-F236 HydrophobicContact CD2-CD1 4.04Å; L215-F236 HydrophobicContact CD2-CE1 3.74Å
216S85.9Confident86Confident19 Ų1962.8 Ų62.813%0.13329%0.292CS..Hα-helixtrans-70-31.517778.40000112.9Y212 Q213 Y214 F219 R220Y212-S216 WeakPolarHBondContact O-CB 3.48Å; Y212-S216 PolarHBondContact O-N 3.15Å; Y212-S216 PolarHBondContact O-OG 3.3Å; Q213-S216 WeakPolarHBondContact O-CA 3.12Å; Q213-S216 WeakPolarHBondContact O-CB 3.45Å; Q213-S216 PolarHBondContact O-N 3.16Å; Q213-S216 PolarHBondContact O-OG 3.41Å; Y214-S216 VanDerWaalsContact C-N 3.33Å; Y214-S216 PolarHBondContact O-N 2.8Å; S216-F219 PolarHBondContact O-N 3.35Å; S216-R220 PolarHBondContact O-N 2.86Å; S216-R220 VanDerWaalsContact O-N 3.14Å
217E87.4Confident86.4Confident89 Ų8964.2 Ų64.242%0.41630%0.298SS..Hα-helixtrans-67.8-47170.7-69176.3154.800110.6Q213 Y214 F219 R220 E221Q213-E217 PolarHBondContact O-N 3.37Å; Y214-E217 WeakPolarHBondContact CD1-OE2 3.41Å; Y214-E217 PolarHBondContact O-N 3.37Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 3.08Å; E217-R220 CarbonylContact O-C 3.39Å; E217-R220 WeakPolarHBondContact O-CA 3.47Å; E217-R220 WeakPolarHBondContact O-CB 3.34Å; E217-R220 PolarHBondContact O-N 2.97Å; E217-E221 PolarHBondContact O-N 3.1Å
218H89.6Confident86.5Confident22 Ų2261.3 Ų61.310%0.10229%0.285CS..Hα-helixtrans-56.7-41.5171.2167.687.2000112.5C197 C200 Y209 Y214 L215 R220 E221 S222 H223C197-H218 WeakPolarHBondContact CB-NE2 3.12Å; C197-H218 PolarHBondContact SG-NE2 3.4Å; C200-H218 VanDerWaalsContact SG-CE1 3.56Å; Y209-H218 HydrophobicContact CE1-CB 4.15Å; Y209-H218 HydrophobicContact CE2-CB 4.46Å; Y209-H218 AromaticContact CZ-CG 3.71Å; Y209-H218 AromaticContact CZ-ND1 3.83Å; Y209-H218 PolarHBondContact OH-CE1 3.02Å; Y209-H218 VanDerWaalsContact OH-CE1 3.26Å; Y209-H218 PolarHBondContact OH-ND1 3.04Å; Y214-H218 PolarHBondContact O-N 3.35Å; L215-H218 PolarHBondContact O-N 3.31Å; H218-R220 PolarHBondContact O-N 3.29Å; H218-E221 PolarHBondContact O-N 3.42Å; H218-S222 PolarHBondContact CE1-OG 2.94Å; H218-S222 PolarHBondContact ND1-OG 3.41Å; H218-S222 PolarHBondContact NE2-OG 2.89Å; H218-S222 PolarHBondContact O-N 3.17Å; H218-S222 PolarHBondContact O-OG 2.79Å; H218-H223 AromaticContact NE2-CD2 3.76Å; H218-H223 AromaticContact NE2-NE2 3.83Å
219F88.5Confident86Confident7 Ų763.1 Ų63.13%0.03131%0.311CS..Hα-helixtrans-65.8-17.3173.8-73.2-37000114C197 F199 L215 S216 E217 H223 L225 A239C197-F219 HydrophobicContact CB-CE1 4.32Å; F199-F219 HydrophobicContact CD2-CE1 4.17Å; F199-F219 HydrophobicContact CE2-CE1 4.25Å; L215-F219 HydrophobicContact CD1-CD1 4.38Å; L215-F219 HydrophobicContact CD1-CD2 4.37Å; L215-F219 HydrophobicContact CD1-CE1 4Å; L215-F219 HydrophobicContact CD1-CE2 4Å; L215-F219 HydrophobicContact CD1-CZ 3.79Å; L215-F219 HydrophobicContact CD2-CE2 3.74Å; L215-F219 HydrophobicContact CD2-CZ 3.91Å; L215-F219 HydrophobicContact CG-CD2 3.96Å; L215-F219 HydrophobicContact CG-CE1 4.48Å; L215-F219 HydrophobicContact CG-CE2 3.56Å; L215-F219 HydrophobicContact CG-CZ 3.85Å; L215-F219 WeakPolarHBondContact O-CB 3.45Å; L215-F219 WeakPolarHBondContact O-CD2 3.22Å; L215-F219 WeakPolarHBondContact O-CG 3.43Å; L215-F219 PolarHBondContact O-N 3.47Å; S216-F219 PolarHBondContact O-N 3.35Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 3.08Å; F219-H223 CarbonylContact O-C 3.54Å; F219-L225 HydrophobicContact CB-CB 4.26Å; F219-L225 HydrophobicContact CB-CD1 4.28Å; F219-L225 HydrophobicContact CB-CD2 4.49Å; F219-L225 PolarHBondContact O-N 3.21Å; F219-A239 HydrophobicContact CB-CB 4.11Å; F219-A239 HydrophobicContact CD1-CB 3.75Å; F219-A239 HydrophobicContact CD2-CB 3.93Å; F219-A239 HydrophobicContact CE1-CB 4.05Å; F219-A239 HydrophobicContact CE2-CB 4.21Å; F219-A239 HydrophobicContact CG-CB 3.71Å; F219-A239 HydrophobicContact CZ-CB 4.27Å
220R86.9Confident85.4Confident122 Ų12271.3 Ų71.346%0.4634%0.342SS..Hα-helixtrans-92.9-30.5175.8-166.4-170.5-62.5112.33.2112.5S216 E217 H218 E227S216-R220 PolarHBondContact O-N 2.86Å; S216-R220 VanDerWaalsContact O-N 3.14Å; E217-R220 CarbonylContact O-C 3.39Å; E217-R220 WeakPolarHBondContact O-CA 3.47Å; E217-R220 WeakPolarHBondContact O-CB 3.34Å; E217-R220 PolarHBondContact O-N 2.97Å; H218-R220 PolarHBondContact O-N 3.29Å; R220-E227 IonicContact CZ-OE1 3.2Å; R220-E227 IonicContact NE-OE1 2.77Å; R220-E227 PolarHBondContact NE-OE1 2.87Å; R220-E227 IonicContact NH2-OE1 2.83Å; R220-E227 PolarHBondContact NH2-OE1 3.26Å
221E87.3Confident85.1Confident175 Ų17570.3 Ų70.382%0.81834%0.335SS*.Hα-helixtrans-90.4-40-177.9-67.9-171.5165.700113.8E217 H218E217-E221 PolarHBondContact O-N 3.1Å; H218-E221 PolarHBondContact O-N 3.42Å
222S83.9Confident84.6Confident58 Ų5869.3 Ų69.341%0.40634%0.338SS..THydrogen-bonded Turntrans-104.8-17.6-175.170.50000114.2H218H218-S222 PolarHBondContact CE1-OG 2.94Å; H218-S222 PolarHBondContact ND1-OG 3.41Å; H218-S222 PolarHBondContact NE2-OG 2.89Å; H218-S222 PolarHBondContact O-N 3.17Å; H218-S222 PolarHBondContact O-OG 2.79Å
223H89.3Confident84Confident20 Ų2072.5 Ų72.59%0.09336%0.363CS..SBendtrans-135-175-176.8-64.3-47000110.1C197 F199 H218 F219C197-H223 VanDerWaalsContact SG-CD2 3.52Å; C197-H223 PolarHBondContact SG-NE2 2.94Å; F199-H223 AromaticContact CD2-CD2 3.95Å; H218-H223 AromaticContact NE2-CD2 3.76Å; H218-H223 AromaticContact NE2-NE2 3.83Å; F219-H223 CarbonylContact O-C 3.54Å
224Y88Confident83.6Confident101 Ų10169.8 Ų69.840%0.39635%0.35SS..EExtended strand (participates in β ladder)trans-113.691.9-177.4-62-88000110.5F240 S242 E243 Y246Y224-F240 PolarHBondContact N-O 3.04Å; Y224-F240 WeakPolarHBondContact O-CD2 3.22Å; Y224-F240 PolarHBondContact O-N 3.49Å; Y224-S242 VanDerWaalsContact CD2-C 3.42Å; Y224-E243 HydrophobicContact CD1-CB 4.33Å; Y224-E243 HydrophobicContact CD1-CG 4.14Å; Y224-E243 HydrophobicContact CD2-CB 4.43Å; Y224-E243 HydrophobicContact CE1-CB 3.81Å; Y224-E243 HydrophobicContact CE1-CG 3.64Å; Y224-E243 HydrophobicContact CE2-CB 3.92Å; Y224-Y246 HydrophobicContact CG-CG 4.49Å
225L87.8Confident82.8Confident31 Ų3169.1 Ų69.116%0.16235%0.352CS..EExtended strand (participates in β ladder)trans-79.5137.7174.8-172.365.8000111.9F219 E227 A239 Y246F219-L225 HydrophobicContact CB-CB 4.26Å; F219-L225 HydrophobicContact CB-CD1 4.28Å; F219-L225 HydrophobicContact CB-CD2 4.49Å; F219-L225 PolarHBondContact O-N 3.21Å; L225-E227 HydrophobicContact CD2-CG 4.15Å; L225-E227 HydrophobicContact CG-CG 4.25Å; L225-A239 HydrophobicContact CD1-CB 4.04Å; L225-Y246 WeakPolarHBondContact O-CE2 3.45Å
226C86.6Confident81.8Confident0 Ų073 Ų730%037%0.369CS..  trans-102.297.4176.8-151.30000113.2E228 C231 H238 F240 Y246 H249 H254C226-E228 PolarHBondContact O-N 2.91Å; C226-C231 HydrophobicContact CB-CB 4.34Å; C226-C231 CarbonylContact O-C 3.47Å; C226-C231 VanDerWaalsContact O-CB 3.27Å; C226-C231 WeakPolarHBondContact O-CB 3.27Å; C226-H238 HydrophobicContact CB-CB 4.11Å; C226-H238 PolarHBondContact N-O 3.23Å; C226-F240 HydrophobicContact CB-CE2 4.35Å; C226-Y246 HydrophobicContact CB-CD2 4.29Å; C226-Y246 HydrophobicContact CB-CE2 3.93Å; C226-H249 PolarHBondContact SG-NE2 3.36Å; C226-H249 VanDerWaalsContact SG-NE2 3.4Å; C226-H254 PolarHBondContact SG-CD2 2.9Å; C226-H254 PolarHBondContact SG-NE2 3.37Å
227E82.8Confident80.9Confident104 Ų10476 Ų7649%0.48639%0.386SS..  trans-85.920.9-178.8-56.1-179.8153.400113.4R220 L225R220-E227 IonicContact CZ-OE1 3.2Å; R220-E227 IonicContact NE-OE1 2.77Å; R220-E227 PolarHBondContact NE-OE1 2.87Å; R220-E227 IonicContact NH2-OE1 2.83Å; R220-E227 PolarHBondContact NH2-OE1 3.26Å; L225-E227 HydrophobicContact CD2-CG 4.15Å; L225-E227 HydrophobicContact CG-CG 4.25Å
228E80.8Confident80.6Confident44 Ų4473.2 Ų73.221%0.20637%0.373CS..SBendtrans-97117.5-173.7-74.8-172.6-132.800113.8C226 R230 C231 K250 H254 K256C226-E228 PolarHBondContact O-N 2.91Å; E228-R230 PolarHBondContact O-N 3.49Å; E228-C231 WeakPolarHBondContact O-CB 3.39Å; E228-C231 PolarHBondContact O-N 3.48Å; E228-C231 VanDerWaalsContact O-N 3.13Å; E228-K250 WeakPolarHBondContact OE1-CE 3.32Å; E228-K250 IonicContact OE1-NZ 2.72Å; E228-K250 PolarHBondContact OE1-NZ 3.36Å; E228-H254 PolarHBondContact O-CE1 3.48Å; E228-K256 IonicContact OE2-NZ 3.89Å
229G77.1Confident80.4Confident64 Ų6472.5 Ų72.566%0.6637%0.371SS*.G310 helixtrans61.1-122171.500000112.9C231 A232G229-C231 PolarHBondContact O-N 2.98Å; G229-A232 PolarHBondContact O-N 2.65Å
230R73.6Confident80.4Confident200 Ų20074 Ų7476%0.75538%0.378SS*.G310 helixtrans-67.1-23.5179.2-67.9-166.1-64-107.30.9113.4E228 A232 T233 E234E228-R230 PolarHBondContact O-N 3.49Å; R230-A232 PolarHBondContact O-N 3.47Å; R230-T233 PolarHBondContact O-N 2.99Å; R230-T233 VanDerWaalsContact O-N 3.08Å; R230-T233 PolarHBondContact O-OG1 3.46Å; R230-E234 PolarHBondContact O-N 3.31Å
231C79.4Confident80.5Confident10 Ų1074.2 Ų74.27%0.06838%0.378CS..G310 helixtrans-70.8-22.2-178.7-65.80000112.8C226 E228 G229 T233 H238 H249 H254C226-C231 HydrophobicContact CB-CB 4.34Å; C226-C231 CarbonylContact O-C 3.47Å; C226-C231 VanDerWaalsContact O-CB 3.27Å; C226-C231 WeakPolarHBondContact O-CB 3.27Å; E228-C231 WeakPolarHBondContact O-CB 3.39Å; E228-C231 PolarHBondContact O-N 3.48Å; E228-C231 VanDerWaalsContact O-N 3.13Å; G229-C231 PolarHBondContact O-N 2.98Å; C231-T233 VanDerWaalsContact C-N 3.33Å; C231-H238 VanDerWaalsContact CA-CD2 3.44Å; C231-H238 WeakPolarHBondContact CA-CD2 3.42Å; C231-H238 HydrophobicContact CB-CB 3.97Å; C231-H238 VanDerWaalsContact CB-CG 3.46Å; C231-H238 PolarHBondContact O-CD2 3.28Å; C231-H238 VanDerWaalsContact O-CD2 3.26Å; C231-H238 PolarHBondContact SG-ND1 3.31Å; C231-H249 VanDerWaalsContact CB-NE2 3.34Å; C231-H249 WeakPolarHBondContact CB-NE2 3.34Å; C231-H249 PolarHBondContact SG-CE1 3.17Å; C231-H249 PolarHBondContact SG-NE2 3.47Å; C231-H254 PolarHBondContact SG-CE1 2.74Å; C231-H254 PolarHBondContact SG-NE2 3.22Å
232A75.9Confident80.5Confident64 Ų6467.6 Ų67.653%0.52935%0.351SS..G310 helixtrans-75.1-18.8170.600000114.1G229 R230G229-A232 PolarHBondContact O-N 2.65Å; R230-A232 PolarHBondContact O-N 3.47Å
233T71.9Confident80.7Confident113 Ų11368.9 Ų68.969%0.69335%0.351SS*.THydrogen-bonded Turntrans-97.1-14.5-175.948.30000114.3R230 C231R230-T233 PolarHBondContact O-N 2.99Å; R230-T233 VanDerWaalsContact O-N 3.08Å; R230-T233 PolarHBondContact O-OG1 3.46Å; C231-T233 VanDerWaalsContact C-N 3.33Å
234E78.1Confident80.6Confident89 Ų8972 Ų7242%0.41637%0.368SS..SBendtrans-95.9128.1173.4-63.7172.7-160.200109.5R230 T237 H238R230-E234 PolarHBondContact O-N 3.31Å; E234-T237 WeakPolarHBondContact CB-OG1 3.33Å; E234-T237 PolarHBondContact OE2-OG1 3.4Å; E234-T237 VanDerWaalsContact OE2-OG1 3.08Å; E234-H238 WeakPolarHBondContact CB-NE2 3.14Å; E234-H238 VanDerWaalsContact CG-NE2 3.32Å; E234-H238 WeakPolarHBondContact CG-NE2 3.49Å; E234-H238 IonicContact OE1-NE2 3.61Å; E234-H238 PolarHBondContact OE1-NE2 3.48Å; E234-H238 IonicContact OE2-CD2 3.2Å; E234-H238 IonicContact OE2-CE1 2.72Å; E234-H238 CovalentContact OE2-NE2 1.75Å; E234-H238 IonicContact OE2-NE2 2.62Å; E234-H238 PolarHBondContact OE2-NE2 2.88Å
235Q71.3Confident80.6Confident118 Ų11871 Ų7155%0.55137%0.369SS*.SBendtrans-80.4146178.7-63.7-179.4-19.600110.7Y212 T237Y212-Q235 HydrophobicContact CD1-CG 4.25Å; Y212-Q235 HydrophobicContact CE1-CB 4.24Å; Y212-Q235 HydrophobicContact CE1-CG 3.85Å; Y212-Q235 HydrophobicContact CE2-CB 3.97Å; Y212-Q235 HydrophobicContact CE2-CG 4.43Å; Y212-Q235 WeakPolarHBondContact OH-CA 3.49Å; Q235-T237 PolarHBondContact O-N 3.24Å
236F67Low80.7Confident83 Ų8371.7 Ų71.736%0.36437%0.37SS..SBendtrans63.7-22.4176.2-45.9-89000117.5Y195 Y212 L215Y195-F236 AromaticContact CD1-CE1 3.81Å; Y195-F236 HydrophobicContact CD1-CE1 3.81Å; Y195-F236 AromaticContact CD1-CZ 3.7Å; Y195-F236 HydrophobicContact CD1-CZ 3.7Å; Y195-F236 HydrophobicContact CE1-CE1 4.24Å; Y195-F236 AromaticContact CE1-CZ 3.64Å; Y195-F236 HydrophobicContact CE1-CZ 3.64Å; Y212-F236 HydrophobicContact CD2-CD1 4.07Å; Y212-F236 HydrophobicContact CD2-CD2 4.46Å; Y212-F236 AromaticContact CD2-CE1 3.49Å; Y212-F236 HydrophobicContact CD2-CE1 3.49Å; Y212-F236 VanDerWaalsContact CD2-CE1 3.49Å; Y212-F236 AromaticContact CD2-CE2 3.91Å; Y212-F236 HydrophobicContact CD2-CE2 3.91Å; Y212-F236 AromaticContact CD2-CZ 3.38Å; Y212-F236 HydrophobicContact CD2-CZ 3.38Å; Y212-F236 AromaticContact CE2-CD1 3.76Å; Y212-F236 HydrophobicContact CE2-CD1 3.76Å; Y212-F236 HydrophobicContact CE2-CD2 4.1Å; Y212-F236 AromaticContact CE2-CE1 3.7Å; Y212-F236 HydrophobicContact CE2-CE1 3.7Å; Y212-F236 HydrophobicContact CE2-CE2 4.01Å; Y212-F236 AromaticContact CE2-CG 3.95Å; Y212-F236 HydrophobicContact CE2-CG 3.95Å; Y212-F236 AromaticContact CE2-CZ 3.8Å; Y212-F236 HydrophobicContact CE2-CZ 3.8Å; Y212-F236 HydrophobicContact CG-CZ 4.37Å; Y212-F236 PolarHBondContact OH-N 3.28Å; Y212-F236 VanDerWaalsContact OH-N 3.13Å; L215-F236 HydrophobicContact CD2-CD1 4.04Å; L215-F236 HydrophobicContact CD2-CE1 3.74Å
237T66.9Low80.7Confident81 Ų8175.3 Ų75.350%0.49739%0.386SS..THydrogen-bonded Turntrans-79.9-18.2-168.9490000115.8E234 Q235E234-T237 WeakPolarHBondContact CB-OG1 3.33Å; E234-T237 PolarHBondContact OE2-OG1 3.4Å; E234-T237 VanDerWaalsContact OE2-OG1 3.08Å; Q235-T237 PolarHBondContact O-N 3.24Å
238H79.3Confident80.9Confident32 Ų3273.1 Ų73.115%0.14839%0.385CS..THydrogen-bonded Turntrans-116.725.9-170.9-60.6-70.1000115C226 C231 E234 F240 H249C226-H238 HydrophobicContact CB-CB 4.11Å; C226-H238 PolarHBondContact N-O 3.23Å; C231-H238 VanDerWaalsContact CA-CD2 3.44Å; C231-H238 WeakPolarHBondContact CA-CD2 3.42Å; C231-H238 HydrophobicContact CB-CB 3.97Å; C231-H238 VanDerWaalsContact CB-CG 3.46Å; C231-H238 PolarHBondContact O-CD2 3.28Å; C231-H238 VanDerWaalsContact O-CD2 3.26Å; C231-H238 PolarHBondContact SG-ND1 3.31Å; E234-H238 WeakPolarHBondContact CB-NE2 3.14Å; E234-H238 VanDerWaalsContact CG-NE2 3.32Å; E234-H238 WeakPolarHBondContact CG-NE2 3.49Å; E234-H238 IonicContact OE1-NE2 3.61Å; E234-H238 PolarHBondContact OE1-NE2 3.48Å; E234-H238 IonicContact OE2-CD2 3.2Å; E234-H238 IonicContact OE2-CE1 2.72Å; E234-H238 CovalentContact OE2-NE2 1.75Å; E234-H238 IonicContact OE2-NE2 2.62Å; E234-H238 PolarHBondContact OE2-NE2 2.88Å; H238-F240 WeakPolarHBondContact O-CE2 3.47Å; H238-H249 AromaticContact CE1-CE1 2.89Å; H238-H249 PolarHBondContact CE1-CE1 3.39Å; H238-H249 AromaticContact ND1-CE1 2.87Å; H238-H249 PolarHBondContact ND1-CE1 3.04Å; H238-H249 AromaticContact ND1-NE2 3.56Å
239A85.9Confident81.3Confident7 Ų772.7 Ų72.76%0.05838%0.383CS..EExtended strand (participates in β ladder)trans-97.9135.5169.800000110.6F199 F219 L225F199-A239 HydrophobicContact CE2-CB 3.99Å; F199-A239 WeakPolarHBondContact CE2-O 3.35Å; F199-A239 VanDerWaalsContact CZ-O 3.22Å; F199-A239 WeakPolarHBondContact CZ-O 3.5Å; F219-A239 HydrophobicContact CB-CB 4.11Å; F219-A239 HydrophobicContact CD1-CB 3.75Å; F219-A239 HydrophobicContact CD2-CB 3.93Å; F219-A239 HydrophobicContact CE1-CB 4.05Å; F219-A239 HydrophobicContact CE2-CB 4.21Å; F219-A239 HydrophobicContact CG-CB 3.71Å; F219-A239 HydrophobicContact CZ-CB 4.27Å; L225-A239 HydrophobicContact CD1-CB 4.04Å
240F88.1Confident81.6Confident39 Ų3972 Ų7217%0.17136%0.362CS..EExtended strand (participates in β ladder)trans-123.8136.9-175.5-62.3-84.3000112.3Y224 C226 H238 S242 D245 Y246 H249Y224-F240 PolarHBondContact N-O 3.04Å; Y224-F240 WeakPolarHBondContact O-CD2 3.22Å; Y224-F240 PolarHBondContact O-N 3.49Å; C226-F240 HydrophobicContact CB-CE2 4.35Å; H238-F240 WeakPolarHBondContact O-CE2 3.47Å; F240-S242 VanDerWaalsContact C-N 3.34Å; F240-S242 PolarHBondContact O-N 3.41Å; F240-D245 HydrophobicContact CB-CB 4.19Å; F240-D245 HydrophobicContact CD1-CB 3.86Å; F240-D245 HydrophobicContact CG-CB 4.36Å; F240-Y246 HydrophobicContact CD2-CD2 4.17Å; F240-H249 HydrophobicContact CE1-CB 3.95Å; F240-H249 HydrophobicContact CE2-CB 3.86Å; F240-H249 AromaticContact CE2-CD2 3.71Å; F240-H249 AromaticContact CE2-CG 3.66Å; F240-H249 HydrophobicContact CZ-CB 3.45Å; F240-H249 VanDerWaalsContact CZ-CB 3.45Å; F240-H249 AromaticContact CZ-CD2 3.87Å; F240-H249 AromaticContact CZ-CG 3.35Å; F240-H249 AromaticContact CZ-ND1 3.62Å
241R88.8Confident82.1Confident125 Ų12562.4 Ų62.447%0.47233%0.326SS..SBendtrans-66.6-30.6178.9-178.4175.8169.4144.66.9113.3F199 D203F199-R241 HydrophobicContact CD1-CB 3.87Å; F199-R241 HydrophobicContact CE1-CB 4.23Å; F199-R241 HydrophobicContact CG-CB 4.21Å; D203-R241 IonicContact OD1-CZ 3.92Å; D203-R241 IonicContact OD1-NH1 3.8Å; D203-R241 PolarHBondContact OD1-NH1 2.83Å; D203-R241 IonicContact OD1-NH2 2.59Å; D203-R241 PolarHBondContact OD1-NH2 3.39Å; D203-R241 IonicContact OD2-CZ 2.94Å; D203-R241 IonicContact OD2-NE 2.7Å; D203-R241 IonicContact OD2-NH1 2.82Å; D203-R241 PolarHBondContact OD2-NH1 2.84Å; D203-R241 IonicContact OD2-NH2 2.86Å; D203-R241 PolarHBondContact OD2-NH2 3.41Å
242S87.8Confident82.3Confident36 Ų3665.6 Ų65.625%0.25235%0.353SS..SBendtrans-129.6153.8179.490.80000113.3Y224 F240 I244 D245 Y246Y224-S242 VanDerWaalsContact CD2-C 3.42Å; F240-S242 VanDerWaalsContact C-N 3.34Å; F240-S242 PolarHBondContact O-N 3.41Å; S242-I244 PolarHBondContact O-N 2.69Å; S242-I244 PolarHBondContact OG-N 3.29Å; S242-D245 VanDerWaalsContact CB-OD2 3.32Å; S242-D245 WeakPolarHBondContact CB-OD2 3.46Å; S242-D245 PolarHBondContact O-N 3.37Å; S242-D245 VanDerWaalsContact OG-CG 3.25Å; S242-D245 PolarHBondContact OG-N 2.97Å; S242-D245 PolarHBondContact OG-OD2 3.27Å; S242-Y246 PolarHBondContact O-N 3.47Å; S242-Y246 VanDerWaalsContact O-N 3.13Å
243E88.2Confident82.6Confident85 Ų8565.1 Ų65.140%0.39735%0.349SS..Hα-helixtrans-60.9-27175-157.2-158.6-168.100112Y224 K247Y224-E243 HydrophobicContact CD1-CB 4.33Å; Y224-E243 HydrophobicContact CD1-CG 4.14Å; Y224-E243 HydrophobicContact CD2-CB 4.43Å; Y224-E243 HydrophobicContact CE1-CB 3.81Å; Y224-E243 HydrophobicContact CE1-CG 3.64Å; Y224-E243 HydrophobicContact CE2-CB 3.92Å; E243-K247 HydrophobicContact CG-CD 4.22Å; E243-K247 VanDerWaalsContact O-CB 3.27Å; E243-K247 WeakPolarHBondContact O-CB 3.35Å; E243-K247 WeakPolarHBondContact O-CD 3.12Å; E243-K247 WeakPolarHBondContact O-CG 3.2Å; E243-K247 PolarHBondContact O-N 3.09Å; E243-K247 WeakPolarHBondContact OE1-CE 3.39Å; E243-K247 IonicContact OE1-NZ 3.62Å; E243-K247 PolarHBondContact OE1-NZ 2.96Å; E243-K247 IonicContact OE2-NZ 3.68Å; E243-K247 PolarHBondContact OE2-NZ 3.27Å
244I87.6Confident83.2Confident87 Ų8761 Ų6145%0.44632%0.322SS..Hα-helixtrans-70.8-45.2179.7-57.8175000109.8S242 K247 A248 I267S242-I244 PolarHBondContact O-N 2.69Å; S242-I244 PolarHBondContact OG-N 3.29Å; I244-K247 PolarHBondContact O-N 3.49Å; I244-A248 WeakPolarHBondContact O-CB 3.21Å; I244-A248 PolarHBondContact O-N 2.89Å; I244-I267 HydrophobicContact CG2-CD1 3.73Å
245D88.9Confident83Confident79 Ų7958.4 Ų58.442%0.42231%0.314SS..Hα-helixtrans-66.3-42178.6-51.9-54.4000110.6F240 S242 A248 H249F240-D245 HydrophobicContact CB-CB 4.19Å; F240-D245 HydrophobicContact CD1-CB 3.86Å; F240-D245 HydrophobicContact CG-CB 4.36Å; S242-D245 VanDerWaalsContact CB-OD2 3.32Å; S242-D245 WeakPolarHBondContact CB-OD2 3.46Å; S242-D245 PolarHBondContact O-N 3.37Å; S242-D245 VanDerWaalsContact OG-CG 3.25Å; S242-D245 PolarHBondContact OG-N 2.97Å; S242-D245 PolarHBondContact OG-OD2 3.27Å; D245-A248 PolarHBondContact O-N 3.42Å; D245-H249 WeakPolarHBondContact O-CB 3.19Å; D245-H249 PolarHBondContact O-N 2.83Å
246Y88.6Confident83Confident45 Ų4560.4 Ų60.418%0.17632%0.321CS..Hα-helixtrans-60.1-45.8172.3171.6-93.2000112.6Y224 L225 C226 F240 S242 A248 H249 K250Y224-Y246 HydrophobicContact CG-CG 4.49Å; L225-Y246 WeakPolarHBondContact O-CE2 3.45Å; C226-Y246 HydrophobicContact CB-CD2 4.29Å; C226-Y246 HydrophobicContact CB-CE2 3.93Å; F240-Y246 HydrophobicContact CD2-CD2 4.17Å; S242-Y246 PolarHBondContact O-N 3.47Å; S242-Y246 VanDerWaalsContact O-N 3.13Å; Y246-A248 VanDerWaalsContact C-N 3.35Å; Y246-A248 PolarHBondContact O-N 3.46Å; Y246-H249 PolarHBondContact O-N 2.79Å; Y246-K250 HydrophobicContact CE1-CD 4.11Å; Y246-K250 VanDerWaalsContact O-CB 3.31Å; Y246-K250 WeakPolarHBondContact O-CB 3.45Å; Y246-K250 PolarHBondContact O-N 3.49Å
247K85.9Confident83.2Confident77 Ų7761.7 Ų61.734%0.33533%0.331SS..Hα-helixtrans-64.1-39.1176.2-78.9168.8179169.80111.6E243 I244 K250 A251E243-K247 HydrophobicContact CG-CD 4.22Å; E243-K247 VanDerWaalsContact O-CB 3.27Å; E243-K247 WeakPolarHBondContact O-CB 3.35Å; E243-K247 WeakPolarHBondContact O-CD 3.12Å; E243-K247 WeakPolarHBondContact O-CG 3.2Å; E243-K247 PolarHBondContact O-N 3.09Å; E243-K247 WeakPolarHBondContact OE1-CE 3.39Å; E243-K247 IonicContact OE1-NZ 3.62Å; E243-K247 PolarHBondContact OE1-NZ 2.96Å; E243-K247 IonicContact OE2-NZ 3.68Å; E243-K247 PolarHBondContact OE2-NZ 3.27Å; I244-K247 PolarHBondContact O-N 3.49Å; K247-K250 PolarHBondContact O-N 3.22Å; K247-A251 WeakPolarHBondContact O-CB 3.46Å; K247-A251 PolarHBondContact O-N 3.29Å
248A87.8Confident83.3Confident58 Ų5867.5 Ų67.548%0.47934%0.344SS..Hα-helixtrans-64.5-46.6175.500000111.9I244 D245 Y246 A251 A252I244-A248 WeakPolarHBondContact O-CB 3.21Å; I244-A248 PolarHBondContact O-N 2.89Å; D245-A248 PolarHBondContact O-N 3.42Å; Y246-A248 VanDerWaalsContact C-N 3.35Å; Y246-A248 PolarHBondContact O-N 3.46Å; A248-A251 CarbonylContact O-C 3.58Å; A248-A251 PolarHBondContact O-N 3.45Å; A248-A252 WeakPolarHBondContact O-CB 3.45Å; A248-A252 PolarHBondContact O-N 3.27Å; A248-A252 VanDerWaalsContact O-N 3.14Å
249H88.4Confident82.7Confident34 Ų3468.9 Ų68.916%0.15736%0.361CS..Hα-helixtrans-57.5-51.8172.6172.978.2000111.4C226 C231 H238 F240 D245 Y246 A251 A252 A253 H254C226-H249 PolarHBondContact SG-NE2 3.36Å; C226-H249 VanDerWaalsContact SG-NE2 3.4Å; C231-H249 VanDerWaalsContact CB-NE2 3.34Å; C231-H249 WeakPolarHBondContact CB-NE2 3.34Å; C231-H249 PolarHBondContact SG-CE1 3.17Å; C231-H249 PolarHBondContact SG-NE2 3.47Å; H238-H249 AromaticContact CE1-CE1 2.89Å; H238-H249 PolarHBondContact CE1-CE1 3.39Å; H238-H249 AromaticContact ND1-CE1 2.87Å; H238-H249 PolarHBondContact ND1-CE1 3.04Å; H238-H249 AromaticContact ND1-NE2 3.56Å; F240-H249 HydrophobicContact CE1-CB 3.95Å; F240-H249 HydrophobicContact CE2-CB 3.86Å; F240-H249 AromaticContact CE2-CD2 3.71Å; F240-H249 AromaticContact CE2-CG 3.66Å; F240-H249 HydrophobicContact CZ-CB 3.45Å; F240-H249 VanDerWaalsContact CZ-CB 3.45Å; F240-H249 AromaticContact CZ-CD2 3.87Å; F240-H249 AromaticContact CZ-CG 3.35Å; F240-H249 AromaticContact CZ-ND1 3.62Å; D245-H249 WeakPolarHBondContact O-CB 3.19Å; D245-H249 PolarHBondContact O-N 2.83Å; Y246-H249 PolarHBondContact O-N 2.79Å; H249-A251 VanDerWaalsContact C-N 3.26Å; H249-A251 PolarHBondContact O-N 3.42Å; H249-A252 CarbonylContact O-C 3.54Å; H249-A252 PolarHBondContact O-N 3.2Å; H249-A253 PolarHBondContact O-N 2.99Å; H249-H254 AromaticContact NE2-CD2 3.46Å; H249-H254 PolarHBondContact NE2-CD2 3.44Å; H249-H254 AromaticContact NE2-CE1 3.64Å; H249-H254 AromaticContact NE2-NE2 2.65Å; H249-H254 PolarHBondContact NE2-NE2 3.26Å
250K84.6Confident82Confident49 Ų4971.2 Ų71.221%0.21337%0.37CS..Iπ-helixtrans-59.4-35.3177.6-174.5162.5175.2158.40112.5E228 Y246 K247 A252 H254 S255E228-K250 WeakPolarHBondContact OE1-CE 3.32Å; E228-K250 IonicContact OE1-NZ 2.72Å; E228-K250 PolarHBondContact OE1-NZ 3.36Å; Y246-K250 HydrophobicContact CE1-CD 4.11Å; Y246-K250 VanDerWaalsContact O-CB 3.31Å; Y246-K250 WeakPolarHBondContact O-CB 3.45Å; Y246-K250 PolarHBondContact O-N 3.49Å; K247-K250 PolarHBondContact O-N 3.22Å; K250-A252 VanDerWaalsContact C-N 3.28Å; K250-A252 PolarHBondContact O-N 3.42Å; K250-H254 HydrophobicContact CG-CB 4.25Å; K250-H254 CarbonylContact O-C 3.54Å; K250-H254 PolarHBondContact O-N 3.21Å; K250-H254 VanDerWaalsContact O-N 3.17Å; K250-S255 PolarHBondContact O-N 3.14Å
251A84.6Confident80.9Confident0 Ų069.9 Ų69.90%037%0.367CS..Iπ-helixtrans-78.5-1.4174.700000115.6K247 A248 H249 N264 R265K247-A251 WeakPolarHBondContact O-CB 3.46Å; K247-A251 PolarHBondContact O-N 3.29Å; A248-A251 CarbonylContact O-C 3.58Å; A248-A251 PolarHBondContact O-N 3.45Å; H249-A251 VanDerWaalsContact C-N 3.26Å; H249-A251 PolarHBondContact O-N 3.42Å; A251-N264 HydrophobicContact CB-CB 3.67Å; A251-R265 HydrophobicContact CB-CG 3.84Å; A251-R265 PolarHBondContact O-NE 3.14Å; A251-R265 PolarHBondContact O-NH2 3.03Å
252A83.4Confident80.1Confident76 Ų7672.1 Ų72.163%0.62838%0.375SS*.Iπ-helixtrans-115.9-43.7177.400000112.2A248 H249 K250A248-A252 WeakPolarHBondContact O-CB 3.45Å; A248-A252 PolarHBondContact O-N 3.27Å; A248-A252 VanDerWaalsContact O-N 3.14Å; H249-A252 CarbonylContact O-C 3.54Å; H249-A252 PolarHBondContact O-N 3.2Å; K250-A252 VanDerWaalsContact C-N 3.28Å; K250-A252 PolarHBondContact O-N 3.42Å
253A81.7Confident79.1Confident55 Ų5576.6 Ų76.646%0.45539%0.392SS..Iπ-helixtrans-97-26-174.700000114.6H249H249-A253 PolarHBondContact O-N 2.99Å
254H83.5Confident78Confident26 Ų2674.6 Ų74.612%0.1238%0.384CS..Iπ-helixtrans-126.8-6-168.7-58.4-44.5000115.8C226 E228 C231 H249 K250 K256C226-H254 PolarHBondContact SG-CD2 2.9Å; C226-H254 PolarHBondContact SG-NE2 3.37Å; E228-H254 PolarHBondContact O-CE1 3.48Å; C231-H254 PolarHBondContact SG-CE1 2.74Å; C231-H254 PolarHBondContact SG-NE2 3.22Å; H249-H254 AromaticContact NE2-CD2 3.46Å; H249-H254 PolarHBondContact NE2-CD2 3.44Å; H249-H254 AromaticContact NE2-CE1 3.64Å; H249-H254 AromaticContact NE2-NE2 2.65Å; H249-H254 PolarHBondContact NE2-NE2 3.26Å; K250-H254 HydrophobicContact CG-CB 4.25Å; K250-H254 CarbonylContact O-C 3.54Å; K250-H254 PolarHBondContact O-N 3.21Å; K250-H254 VanDerWaalsContact O-N 3.17Å; H254-K256 PolarHBondContact O-N 3.5Å
255S75.3Confident77Confident35 Ų3578.5 Ų78.525%0.24539%0.393CS..  trans-65.5102.5179.4610000110.9K250K250-S255 PolarHBondContact O-N 3.14Å
256K71Confident75.9Confident160 Ų16080.6 Ų80.670%0.69640%0.4SS*.  trans-72.9-34.4-178.4-69.9139-171.1156.40110.3E228 H254 E260E228-K256 IonicContact OE2-NZ 3.89Å; H254-K256 PolarHBondContact O-N 3.5Å; K256-E260 PolarHBondContact N-OE2 3.32Å
257N71.3Confident74.7Confident110 Ų11082.6 Ų82.659%0.58841%0.413SS*.SBendtrans-114.7142.7179.4-74.518.8000112.9A259 E260 A261N257-A259 PolarHBondContact O-N 2.86Å; N257-A259 VanDerWaalsContact O-N 3.14Å; N257-E260 HydrophobicContact CB-CB 4.19Å; N257-E260 PolarHBondContact N-OE2 3.3Å; N257-E260 WeakPolarHBondContact O-CB 3.31Å; N257-E260 PolarHBondContact O-N 2.86Å; N257-E260 VanDerWaalsContact O-N 3.13Å; N257-A261 PolarHBondContact O-N 2.58Å
258R68.6Low73.3Confident203 Ų20383.8 Ų83.877%0.76642%0.423SS*.Hα-helixtrans-61.1-21.6175.5-170.2176.1179.293-9.2113.7R262R258-R262 WeakPolarHBondContact O-CD 3.3Å; R258-R262 WeakPolarHBondContact O-CG 3.49Å; R258-R262 PolarHBondContact O-N 3.25Å
259A67.1Low72.1Confident60 Ų6086.4 Ų86.450%0.49643%0.428SS..Hα-helixtrans-77.8-46.8172.900000112N257 A261 R262 Q263N257-A259 PolarHBondContact O-N 2.86Å; N257-A259 VanDerWaalsContact O-N 3.14Å; A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 3.26Å; A259-R262 WeakPolarHBondContact O-CA 3.08Å; A259-R262 WeakPolarHBondContact O-CB 3.46Å; A259-R262 PolarHBondContact O-N 2.75Å; A259-Q263 PolarHBondContact O-N 3.41Å
260E71.8Confident70.5Confident56 Ų5691.7 Ų91.726%0.26245%0.453SS..Hα-helixtrans-59.3-42173.6177.7-173-146.100111.1K256 N257 R262 Q263 N264K256-E260 PolarHBondContact N-OE2 3.32Å; N257-E260 HydrophobicContact CB-CB 4.19Å; N257-E260 PolarHBondContact N-OE2 3.3Å; N257-E260 WeakPolarHBondContact O-CB 3.31Å; N257-E260 PolarHBondContact O-N 2.86Å; N257-E260 VanDerWaalsContact O-N 3.13Å; E260-R262 PolarHBondContact O-N 2.71Å; E260-Q263 PolarHBondContact O-N 2.73Å; E260-Q263 VanDerWaalsContact O-N 3.14Å; E260-N264 PolarHBondContact O-N 3.25Å
261A65Low68.8Low12 Ų1296 Ų9610%0.09947%0.473CS..Hα-helixtrans-57.1-33.9172.200000113.1N257 A259 R265N257-A261 PolarHBondContact O-N 2.58Å; A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 3.26Å; A261-R265 WeakPolarHBondContact O-CB 3.24Å; A261-R265 WeakPolarHBondContact O-CD 3.14Å; A261-R265 WeakPolarHBondContact O-CG 3.42Å; A261-R265 PolarHBondContact O-N 3.29Å; A261-R265 PolarHBondContact O-NE 3.32Å
262R70.3Confident67.5Low172 Ų172101.2 Ų101.265%0.64950%0.5SS*.Hα-helixtrans-78.3-36.6176.5-73.7168.2168.3-173.5-7.1111.8R258 A259 E260 R265 H266R258-R262 WeakPolarHBondContact O-CD 3.3Å; R258-R262 WeakPolarHBondContact O-CG 3.49Å; R258-R262 PolarHBondContact O-N 3.25Å; A259-R262 WeakPolarHBondContact O-CA 3.08Å; A259-R262 WeakPolarHBondContact O-CB 3.46Å; A259-R262 PolarHBondContact O-N 2.75Å; E260-R262 PolarHBondContact O-N 2.71Å; R262-R265 PolarHBondContact O-N 3.44Å; R262-H266 PolarHBondContact O-N 2.88Å; R262-H266 VanDerWaalsContact O-N 3.16Å
263Q67.7Low65.9Low130 Ų130106.8 Ų106.861%0.60751%0.506SS*.Hα-helixtrans-69-43.2176.7-72.4171.9-37.100112.1A259 E260 R265 H266A259-Q263 PolarHBondContact O-N 3.41Å; E260-Q263 PolarHBondContact O-N 2.73Å; E260-Q263 VanDerWaalsContact O-N 3.14Å; Q263-R265 VanDerWaalsContact C-N 3.25Å; Q263-R265 PolarHBondContact O-N 2.91Å; Q263-H266 WeakPolarHBondContact O-CB 3.37Å; Q263-H266 PolarHBondContact O-N 3.49Å; Q263-H266 VanDerWaalsContact O-N 3.07Å; Q263-H266 PolarHBondContact O-ND1 2.98Å
264N65.9Low64.2Low43 Ų43108.1 Ų108.123%0.2352%0.517CS..Hα-helixtrans-73-17.6177.4-66.1-14.5000113A251 E260A251-N264 HydrophobicContact CB-CB 3.67Å; E260-N264 PolarHBondContact O-N 3.25Å
265R66.4Low62.5Low168 Ų168112.8 Ų112.863%0.63455%0.55SS*.THydrogen-bonded Turntrans-87.6-8.9168.6-70.9171-161.4-153.81.2113.6A251 A261 R262 Q263 I267A251-R265 HydrophobicContact CB-CG 3.84Å; A251-R265 PolarHBondContact O-NE 3.14Å; A251-R265 PolarHBondContact O-NH2 3.03Å; A261-R265 WeakPolarHBondContact O-CB 3.24Å; A261-R265 WeakPolarHBondContact O-CD 3.14Å; A261-R265 WeakPolarHBondContact O-CG 3.42Å; A261-R265 PolarHBondContact O-N 3.29Å; A261-R265 PolarHBondContact O-NE 3.32Å; R262-R265 PolarHBondContact O-N 3.44Å; Q263-R265 VanDerWaalsContact C-N 3.25Å; Q263-R265 PolarHBondContact O-N 2.91Å; R265-I267 PolarHBondContact O-N 3.13Å
266H65.4Low60.9Low123 Ų123122.9 Ų122.957%0.56958%0.583SS**  trans-76.9113.2168.8114.9-76.8000107.6R262 Q263R262-H266 PolarHBondContact O-N 2.88Å; R262-H266 VanDerWaalsContact O-N 3.16Å; Q263-H266 WeakPolarHBondContact O-CB 3.37Å; Q263-H266 PolarHBondContact O-N 3.49Å; Q263-H266 VanDerWaalsContact O-N 3.07Å; Q263-H266 PolarHBondContact O-ND1 2.98Å
267I63.4Low59.7Low88 Ų88124.2 Ų124.245%0.45159%0.591SS.*  trans-101115.5165.7-53.8171.4000104I244 R265 L269I244-I267 HydrophobicContact CG2-CD1 3.73Å; R265-I267 PolarHBondContact O-N 3.13Å; I267-L269 HydrophobicContact CB-CG 4.31Å; I267-L269 HydrophobicContact CG2-CD2 4.13Å; I267-L269 HydrophobicContact CG2-CG 3.91Å; I267-L269 PolarHBondContact O-N 3.41Å
268D56.9Low58.2Low102 Ų102127.6 Ų127.655%0.54560%0.603SS.*  trans-74.275.3-178.4-17120.8000111.1Q270D268-Q270 VanDerWaalsContact C-N 3.27Å; D268-Q270 PolarHBondContact O-N 3.13Å; D268-Q270 WeakPolarHBondContact OD1-CG 3.31Å; D268-Q270 WeakPolarHBondContact OD2-CG 3.49Å; D268-Q270 PolarHBondContact OD2-NE2 2.87Å
269L62.6Low56.8Low112 Ų112129.2 Ų129.259%0.58661%0.61SS**  trans-76.478.8176.9-70.5169.3000109.1I267 F271I267-L269 HydrophobicContact CB-CG 4.31Å; I267-L269 HydrophobicContact CG2-CD2 4.13Å; I267-L269 HydrophobicContact CG2-CG 3.91Å; I267-L269 PolarHBondContact O-N 3.41Å; L269-F271 HydrophobicContact CB-CD2 3.88Å; L269-F271 HydrophobicContact CB-CE2 3.71Å; L269-F271 HydrophobicContact CD1-CE2 4.22Å; L269-F271 HydrophobicContact CD2-CE2 4.27Å; L269-F271 HydrophobicContact CD2-CZ 4.48Å; L269-F271 HydrophobicContact CG-CE2 4.29Å; L269-F271 WeakPolarHBondContact O-CD2 3.37Å; L269-F271 PolarHBondContact O-N 2.89Å
270Q54.8Low55.5Low145 Ų145138.2 Ų138.268%0.67863%0.631SS**  trans-67.563.9179.6-63.2-169.91.700113.2D268 N272D268-Q270 VanDerWaalsContact C-N 3.27Å; D268-Q270 PolarHBondContact O-N 3.13Å; D268-Q270 WeakPolarHBondContact OD1-CG 3.31Å; D268-Q270 WeakPolarHBondContact OD2-CG 3.49Å; D268-Q270 PolarHBondContact OD2-NE2 2.87Å; Q270-N272 VanDerWaalsContact C-N 3.33Å; Q270-N272 PolarHBondContact O-N 3.45Å
271F48.9Very low53.9Low141 Ų141143.2 Ų143.262%0.61866%0.659SS**  trans-7287.5171.8-69.7-65.3000110.1L269 Y273L269-F271 HydrophobicContact CB-CD2 3.88Å; L269-F271 HydrophobicContact CB-CE2 3.71Å; L269-F271 HydrophobicContact CD1-CE2 4.22Å; L269-F271 HydrophobicContact CD2-CE2 4.27Å; L269-F271 HydrophobicContact CD2-CZ 4.48Å; L269-F271 HydrophobicContact CG-CE2 4.29Å; L269-F271 WeakPolarHBondContact O-CD2 3.37Å; L269-F271 PolarHBondContact O-N 2.89Å; F271-Y273 HydrophobicContact CB-CD2 3.86Å; F271-Y273 HydrophobicContact CB-CE2 3.56Å; F271-Y273 HydrophobicContact CG-CE2 4.31Å; F271-Y273 VanDerWaalsContact O-CD2 3.26Å; F271-Y273 WeakPolarHBondContact O-CD2 3.36Å; F271-Y273 PolarHBondContact O-N 3.26Å
272N56.1Low52.6Low109 Ų109150.3 Ų150.358%0.58370%0.695SS**  trans-76.465.3-177.4-129.9-18.6000111.6Q270 K308Q270-N272 VanDerWaalsContact C-N 3.33Å; Q270-N272 PolarHBondContact O-N 3.45Å; N272-K308 PolarHBondContact O-NZ 2.96Å
273Y50.3Low50.9Low193 Ų193145.5 Ų145.576%0.75770%0.699SS**PPolyproline II helixtrans-55.2132.6174.9-75.5-79.8000110.5F271F271-Y273 HydrophobicContact CB-CD2 3.86Å; F271-Y273 HydrophobicContact CB-CE2 3.56Å; F271-Y273 HydrophobicContact CG-CE2 4.31Å; F271-Y273 VanDerWaalsContact O-CD2 3.26Å; F271-Y273 WeakPolarHBondContact O-CD2 3.36Å; F271-Y273 PolarHBondContact O-N 3.26Å
274A47Very low49.5Very low82 Ų82148 Ų14868%0.67871%0.714SS**PPolyproline II helixtrans-74.7129.6179.300000110.6R276A274-R276 PolarHBondContact O-N 2.97Å
275P46.8Very low47.9Very low124 Ų124153 Ų15381%0.80575%0.745SS**PPolyproline II helixtrans-58.1123.4174-25.735.2000111.3Q277P275-Q277 PolarHBondContact O-N 2.94Å
276R42.7Very low46.3Very low248 Ų248148.4 Ų148.494%0.93675%0.75SS**  trans-67.6113.6178.5-165.5179.9-155.7-121.76.5108.8A274 Q278A274-R276 PolarHBondContact O-N 2.97Å; R276-Q278 PolarHBondContact O-N 2.91Å; R276-Q278 VanDerWaalsContact O-N 3.15Å
277Q43.7Very low44.9Very low188 Ų188145.6 Ų145.688%0.87976%0.755SS**  trans-67.3117.7-179.6-72.9-156.1-7.900111.3P275 R279P275-Q277 PolarHBondContact O-N 2.94Å; Q277-R279 PolarHBondContact O-N 2.94Å
278Q40.9Very low43.3Very low180 Ų180150.2 Ų150.284%0.84177%0.774SS**  trans-61.1111.1164.6-16582.8-25.500107.9R276 R280R276-Q278 PolarHBondContact O-N 2.91Å; R276-Q278 VanDerWaalsContact O-N 3.15Å; Q278-R280 PolarHBondContact O-N 2.62Å
279R38.5Very low42Very low238 Ų238152.8 Ų152.890%0.89879%0.788SS**  trans-65.3129.7169.1-87.5-163.7175.3-1431.9108.4Q277Q277-R279 PolarHBondContact O-N 2.94Å
280R41.4Very low40.7Very low248 Ų248157.4 Ų157.494%0.93680%0.799SS**  trans-61.1134.4155.9-69.9-177.3175.5-173.2-3.2108Q278Q278-R280 PolarHBondContact O-N 2.62Å
281N37.6Very low39.6Very low161 Ų161157 Ų15786%0.86180%0.797SS**  trans-124.2145.9151.3-163.754.4000106.8
282D38.3Very low38.8Very low161 Ų161158.2 Ų158.286%0.86181%0.805SS**  trans-85.9146.7-172.4-155.833.2000111.1
283G32.9Very low37.7Very low71 Ų71157.3 Ų157.373%0.73280%0.803SS**  trans-178.3121.5-173.200000113
284M38.4Very low37Very low184 Ų184158.5 Ų158.591%0.90681%0.806SS**  trans-83.9167.7-172.4-149.279.4156.800112.9
285V32.7Very low36.3Very low146 Ų146162.8 Ų162.889%0.88581%0.812SS**  trans75.9130.9173.2-166.40000114.6
286G33Very low35.5Very low73 Ų73163.1 Ų163.175%0.75381%0.807SS**  cis156.1148.9-7.800000112.3
287G35.2Very low35Very low64 Ų64162.3 Ų162.366%0.6680%0.804SS**  trans107.5108.9168.800000117
288E29.9Very low34.3Very low184 Ų184157.1 Ų157.186%0.8680%0.8SS**  48133.1129.5-65.7142.5-102.100123.2
289D31.4Very low33.7Very low156 Ų156152.4 Ų152.483%0.83480%0.801SS**  trans54.3146.9157.1-61.7-4.4000120.3
290Y35Very low33.2Very low209 Ų209153.4 Ų153.482%0.8280%0.804SS**  cis-145.5164.225.2-177.5-104.5000113.4
291E31.1Very low32.5Very low138 Ų138145.1 Ų145.165%0.64580%0.796SS**  trans-81137.6-175175177.5-163.900114.3
292E32.3Very low32.3Very low166 Ų166148.9 Ų148.978%0.77680%0.798SS**  -162.4100128.2-173.6150.6-151.300113.4
293T33.7Very low31.8Very low89 Ų89149.3 Ų149.355%0.54680%0.8SS.*  trans-18.8126.5144.4-47.80000114.4
294R35.3Very low32.1Very low219 Ų219154.1 Ų154.183%0.82680%0.803SS**  -161114.685-89172.3-1751277.7113.6
295H31.2Very low31.7Very low172 Ų172154.1 Ų154.180%0.79680%0.803SS**  trans-73.1-178.2145-60.358.2000108.3
296N31.4Very low31.7Very low130 Ų130150 Ų15070%0.69579%0.791SS**  cis-165.2157.511.1-142.8-33.8000105.1
297R31.9Very low31.9Very low232 Ų232152.1 Ų152.188%0.87578%0.781SS**  cis-150.417224.5-62.5166.5179.4137.51.7107.6
298G27.6Very low32.1Very low78 Ų78156.6 Ų156.680%0.80478%0.782SS**  cis151.2138.3-4.500000111
299G28.4Very low32.8Very low82 Ų82150 Ų15085%0.84576%0.756SS**  trans-159.285.3-171.400000114.1G301G299-G301 PolarHBondContact O-N 3.26Å
300R28.7Very low33Very low258 Ų258149.3 Ų149.397%0.97474%0.742SS**  trans-54.9119.3-168.1-55172-173.1-128.34.2116.1
301G27.4Very low33.3Very low74 Ų74150 Ų15076%0.76374%0.743SS**  102.1165.3111.100000120.9G299G299-G301 PolarHBondContact O-N 3.26Å
302R31.9Very low33.7Very low240 Ų240150.4 Ų150.491%0.90674%0.74SS**  trans77102178.2-161174.5-63.6-93.81.5116.6Q304R302-Q304 PolarHBondContact O-N 2.73Å
303L28.1Very low34.5Very low170 Ų170144 Ų14489%0.8971%0.713SS**  trans-61.4128.1162.9-70.4160.4000110.4
304Q39.3Very low35.2Very low172 Ų172147.9 Ų147.980%0.80472%0.718SS**  trans-117.1103.2162.1-173.1179.832.100107.6R302R302-Q304 PolarHBondContact O-N 2.73Å
305M30.2Very low35.8Very low185 Ų185143.2 Ų143.291%0.91171%0.705SS**  trans-132.3107.5176.4-97.5-68.4176.500109.3
306G34Very low36.8Very low60 Ų60140.8 Ų140.862%0.61969%0.689SS**  trans-169.8-5.5-176.400000114.9K308G306-K308 VanDerWaalsContact C-N 3.28Å; G306-K308 PolarHBondContact O-N 3.41Å
307Q37.1Very low38.3Very low116 Ų116139.1 Ų139.154%0.54268%0.677SS.*THydrogen-bonded Turntrans-85.963.8-177.6-66.8-169.515.900113W310Q307-W310 VanDerWaalsContact CD-NE1 3.31Å; Q307-W310 HydrophobicContact CG-CZ2 4.18Å
308K37.6Very low39.9Very low159 Ų159133.1 Ų133.169%0.69166%0.659SS**THydrogen-bonded Turntrans-116.46.9148.1-70.7-164.7172.8-171.30112.6N272 G306N272-K308 PolarHBondContact O-NZ 2.96Å; G306-K308 VanDerWaalsContact C-N 3.28Å; G306-K308 PolarHBondContact O-N 3.41Å
309S44.7Very low41.8Very low46 Ų46134.5 Ų134.532%0.32265%0.645SS.*  trans-105105.9165-158.40000109.3S313S309-S313 VanDerWaalsContact CB-OG 3.28Å; S309-S313 WeakPolarHBondContact CB-OG 3.2Å; S309-S313 WeakPolarHBondContact OG-CB 3.15Å; S309-S313 PolarHBondContact OG-N 3.26Å; S309-S313 PolarHBondContact OG-OG 3.11Å
310W35.3Very low44Very low141 Ų141135.1 Ų135.153%0.53463%0.629SS.*SBendtrans-146.9-28.1173.8-85.9136.4000113.7Q307 R314Q307-W310 VanDerWaalsContact CD-NE1 3.31Å; Q307-W310 HydrophobicContact CG-CZ2 4.18Å; W310-R314 VanDerWaalsContact O-CB 3.26Å; W310-R314 WeakPolarHBondContact O-CB 3.14Å; W310-R314 PolarHBondContact O-N 3.26Å
311R42.4Very low46.5Very low222 Ų222129 Ų12984%0.83861%0.605SS**SBendtrans-83.4-58.8164.5-68.1-172-170.8-106.91.4110.4S313 R314 E315R311-S313 VanDerWaalsContact C-N 3.26Å; R311-S313 PolarHBondContact O-N 2.72Å; R311-R314 WeakPolarHBondContact O-CA 3.46Å; R311-R314 PolarHBondContact O-N 2.81Å; R311-E315 PolarHBondContact O-N 3.14Å
312Y39.2Very low48.9Very low148 Ų148132.4 Ų132.458%0.5860%0.601SS**Hα-helixtrans-63.7-29.1175.3-156.8-113000113R316Y312-R316 WeakPolarHBondContact O-CB 3.34Å; Y312-R316 PolarHBondContact O-N 2.92Å
313S48.3Very low51.1Low30 Ų30125 Ų12521%0.2158%0.583CS.*Hα-helixtrans-74.1-25.4166.7-94.60000114.1S309 R311 E317S309-S313 VanDerWaalsContact CB-OG 3.28Å; S309-S313 WeakPolarHBondContact CB-OG 3.2Å; S309-S313 WeakPolarHBondContact OG-CB 3.15Å; S309-S313 PolarHBondContact OG-N 3.26Å; S309-S313 PolarHBondContact OG-OG 3.11Å; R311-S313 VanDerWaalsContact C-N 3.26Å; R311-S313 PolarHBondContact O-N 2.72Å; S313-E317 WeakPolarHBondContact O-CA 3.39Å; S313-E317 WeakPolarHBondContact O-CB 3.47Å; S313-E317 WeakPolarHBondContact O-CG 3.46Å; S313-E317 PolarHBondContact O-N 3.28Å
314R50.3Low53.7Low172 Ų172121.8 Ų121.865%0.64956%0.563SS**Hα-helixtrans-75.6-44.7174.7-178.9174.2-68.6-171.8-2.5110.7W310 R311 R316 E317 E318W310-R314 VanDerWaalsContact O-CB 3.26Å; W310-R314 WeakPolarHBondContact O-CB 3.14Å; W310-R314 PolarHBondContact O-N 3.26Å; R311-R314 WeakPolarHBondContact O-CA 3.46Å; R311-R314 PolarHBondContact O-N 2.81Å; R314-R316 VanDerWaalsContact C-N 3.34Å; R314-E317 PolarHBondContact O-N 3.45Å; R314-E318 VanDerWaalsContact O-CB 3.3Å; R314-E318 WeakPolarHBondContact O-CB 3.14Å; R314-E318 PolarHBondContact O-N 3Å
315E47.4Very low55.7Low121 Ų121115.9 Ų115.957%0.56554%0.544SS*.Hα-helixtrans-57.5-49.6170.8-73.9166.3133.700109.6R311 E317 E318 E319R311-E315 PolarHBondContact O-N 3.14Å; E315-E317 PolarHBondContact O-N 3.35Å; E315-E318 WeakPolarHBondContact O-CB 3.48Å; E315-E318 PolarHBondContact O-N 2.68Å; E315-E318 VanDerWaalsContact O-N 3.1Å; E315-E319 WeakPolarHBondContact O-CB 3.5Å; E315-E319 WeakPolarHBondContact O-CG 3.2Å; E315-E319 PolarHBondContact O-N 2.9Å
316R51.4Low58.1Low120 Ų120109.8 Ų109.845%0.45352%0.523SS..Hα-helixtrans-65-35.6176.2-174.1168.3-64.6-151.7-2.7114.6Y312 R314 E318 D320Y312-R316 WeakPolarHBondContact O-CB 3.34Å; Y312-R316 PolarHBondContact O-N 2.92Å; R314-R316 VanDerWaalsContact C-N 3.34Å; R316-E318 VanDerWaalsContact C-N 3.26Å; R316-E318 PolarHBondContact O-N 2.66Å; R316-D320 WeakPolarHBondContact CG-OD2 3.27Å; R316-D320 WeakPolarHBondContact O-CA 3.31Å; R316-D320 WeakPolarHBondContact O-CB 3.4Å; R316-D320 VanDerWaalsContact O-CG 3.26Å; R316-D320 PolarHBondContact O-N 3.26Å
317E62.3Low60.5Low95 Ų95112.1 Ų112.144%0.44452%0.521SS..Hα-helixtrans-73.4-17.6174-80.2173.2175.200112.7S313 R314 E315 R321S313-E317 WeakPolarHBondContact O-CA 3.39Å; S313-E317 WeakPolarHBondContact O-CB 3.47Å; S313-E317 WeakPolarHBondContact O-CG 3.46Å; S313-E317 PolarHBondContact O-N 3.28Å; R314-E317 PolarHBondContact O-N 3.45Å; E315-E317 PolarHBondContact O-N 3.35Å; E317-R321 WeakPolarHBondContact O-CB 3.4Å; E317-R321 PolarHBondContact O-N 3.34Å; E317-R321 PolarHBondContact O-NE 2.98Å; E317-R321 PolarHBondContact O-NH2 2.95Å; E317-R321 VanDerWaalsContact O-NH2 3.11Å
318E66.9Low62.8Low106 Ų106113.5 Ų113.550%0.49552%0.521SS..Hα-helixtrans-84.5-45.4172.6-157.6112.7-103.700109.6R314 E315 R316 R321 Q322R314-E318 VanDerWaalsContact O-CB 3.3Å; R314-E318 WeakPolarHBondContact O-CB 3.14Å; R314-E318 PolarHBondContact O-N 3Å; E315-E318 WeakPolarHBondContact O-CB 3.48Å; E315-E318 PolarHBondContact O-N 2.68Å; E315-E318 VanDerWaalsContact O-N 3.1Å; R316-E318 VanDerWaalsContact C-N 3.26Å; R316-E318 PolarHBondContact O-N 2.66Å; E318-R321 PolarHBondContact O-N 3.32Å; E318-R321 IonicContact OE1-CZ 2.82Å; E318-R321 IonicContact OE1-NH1 2.58Å; E318-R321 PolarHBondContact OE1-NH1 2.71Å; E318-Q322 VanDerWaalsContact O-CB 3.29Å; E318-Q322 WeakPolarHBondContact O-CB 3.33Å; E318-Q322 PolarHBondContact O-N 3.03Å
319E66.2Low65Low108 Ų108108.7 Ų108.751%0.50551%0.511SS..Hα-helixtrans-60.7-52.4171.5-70173.2156.700111.6E315 R321 Q322 V323E315-E319 WeakPolarHBondContact O-CB 3.5Å; E315-E319 WeakPolarHBondContact O-CG 3.2Å; E315-E319 PolarHBondContact O-N 2.9Å; E319-R321 VanDerWaalsContact C-N 3.28Å; E319-R321 PolarHBondContact O-N 3.15Å; E319-Q322 CarbonylContact O-C 3.52Å; E319-Q322 WeakPolarHBondContact O-CA 3.47Å; E319-Q322 WeakPolarHBondContact O-CB 3.4Å; E319-Q322 PolarHBondContact O-N 3.44Å; E319-V323 WeakPolarHBondContact O-CB 3.4Å; E319-V323 WeakPolarHBondContact O-CG2 3.35Å; E319-V323 PolarHBondContact O-N 3.01Å
320D74.9Confident67.1Low95 Ų95110 Ų11051%0.50852%0.52SS..Hα-helixtrans-62.1-35.1177.3-77.5-26.6000111R316 E324R316-D320 WeakPolarHBondContact CG-OD2 3.27Å; R316-D320 WeakPolarHBondContact O-CA 3.31Å; R316-D320 WeakPolarHBondContact O-CB 3.4Å; R316-D320 VanDerWaalsContact O-CG 3.26Å; R316-D320 PolarHBondContact O-N 3.26Å; D320-E324 WeakPolarHBondContact O-CB 3.45Å; D320-E324 PolarHBondContact O-N 2.98Å
321R81.5Confident69.6Low128 Ų128108.1 Ų108.148%0.48352%0.519SS..Hα-helixtrans-70.6-34.2173.7-174.8-168.6-45.3141.616111.8E317 E318 E319 A325E317-R321 WeakPolarHBondContact O-CB 3.4Å; E317-R321 PolarHBondContact O-N 3.34Å; E317-R321 PolarHBondContact O-NE 2.98Å; E317-R321 PolarHBondContact O-NH2 2.95Å; E317-R321 VanDerWaalsContact O-NH2 3.11Å; E318-R321 PolarHBondContact O-N 3.32Å; E318-R321 IonicContact OE1-CZ 2.82Å; E318-R321 IonicContact OE1-NH1 2.58Å; E318-R321 PolarHBondContact OE1-NH1 2.71Å; E319-R321 VanDerWaalsContact C-N 3.28Å; E319-R321 PolarHBondContact O-N 3.15Å; R321-A325 WeakPolarHBondContact O-CB 3.29Å; R321-A325 PolarHBondContact O-N 2.89Å
322Q76.9Confident71.6Confident146 Ų14699.8 Ų99.868%0.68250%0.497SS*.Hα-helixtrans-73.3-38.5175.1-166.4170.630.600111.5E318 E319 A325 A326E318-Q322 VanDerWaalsContact O-CB 3.29Å; E318-Q322 WeakPolarHBondContact O-CB 3.33Å; E318-Q322 PolarHBondContact O-N 3.03Å; E319-Q322 CarbonylContact O-C 3.52Å; E319-Q322 WeakPolarHBondContact O-CA 3.47Å; E319-Q322 WeakPolarHBondContact O-CB 3.4Å; E319-Q322 PolarHBondContact O-N 3.44Å; Q322-A325 PolarHBondContact O-N 3.21Å; Q322-A326 VanDerWaalsContact O-CB 3.32Å; Q322-A326 WeakPolarHBondContact O-CB 3.41Å; Q322-A326 PolarHBondContact O-N 2.86Å
323V79.9Confident73.7Confident86 Ų8699.2 Ų99.252%0.52150%0.501SS..Hα-helixtrans-67.4-43.9172.11700000110.7E319 A326 L327E319-V323 WeakPolarHBondContact O-CB 3.4Å; E319-V323 WeakPolarHBondContact O-CG2 3.35Å; E319-V323 PolarHBondContact O-N 3.01Å; V323-A326 CarbonylContact O-C 3.49Å; V323-A326 PolarHBondContact O-N 2.9Å; V323-L327 WeakPolarHBondContact O-CB 3.48Å; V323-L327 PolarHBondContact O-N 3.31Å
324E82.7Confident75.4Confident102 Ų102102.2 Ų102.248%0.47751%0.512SS..Hα-helixtrans-67.3-37.4175.9-161-154.5-162.800111.1D320 L327 R328D320-E324 WeakPolarHBondContact O-CB 3.45Å; D320-E324 PolarHBondContact O-N 2.98Å; E324-L327 PolarHBondContact O-N 3.29Å; E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 PolarHBondContact O-N 2.67Å; E324-R328 IonicContact OE1-NH2 2.92Å; E324-R328 PolarHBondContact OE1-NH2 2.9Å; E324-R328 IonicContact OE2-CZ 3.49Å; E324-R328 IonicContact OE2-NH1 3.57Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 3.35Å
325A81Confident77Confident47 Ų47102 Ų10239%0.38851%0.511SS..Hα-helixtrans-63.3-41170.700000111.9R321 Q322 R328 A329R321-A325 WeakPolarHBondContact O-CB 3.29Å; R321-A325 PolarHBondContact O-N 2.89Å; Q322-A325 PolarHBondContact O-N 3.21Å; A325-R328 PolarHBondContact O-N 3.38Å; A325-A329 VanDerWaalsContact O-CB 3.28Å; A325-A329 WeakPolarHBondContact O-CB 3.03Å; A325-A329 PolarHBondContact O-N 3.34Å
326A79.2Confident78.5Confident58 Ų58100.6 Ų100.648%0.47951%0.505SS..Hα-helixtrans-66.8-39.9174.500000112.2Q322 V323 A329 S330Q322-A326 VanDerWaalsContact O-CB 3.32Å; Q322-A326 WeakPolarHBondContact O-CB 3.41Å; Q322-A326 PolarHBondContact O-N 2.86Å; V323-A326 CarbonylContact O-C 3.49Å; V323-A326 PolarHBondContact O-N 2.9Å; A326-A329 PolarHBondContact O-N 3.21Å; A326-S330 VanDerWaalsContact O-CB 3.28Å; A326-S330 WeakPolarHBondContact O-CB 3.37Å; A326-S330 PolarHBondContact O-N 3.14Å
327L86.1Confident79.7Confident108 Ų10898.8 Ų98.857%0.56551%0.507SS*.Hα-helixtrans-64.9-42174.1-129.174.7000111V323 E324 S330 M331V323-L327 WeakPolarHBondContact O-CB 3.48Å; V323-L327 PolarHBondContact O-N 3.31Å; E324-L327 PolarHBondContact O-N 3.29Å; L327-S330 PolarHBondContact O-N 3.39Å; L327-M331 VanDerWaalsContact O-CB 3.27Å; L327-M331 WeakPolarHBondContact O-CB 3.41Å; L327-M331 WeakPolarHBondContact O-CG 3.48Å; L327-M331 PolarHBondContact O-N 2.94Å
328R85.1Confident80.6Confident145 Ų14599 Ų9955%0.54751%0.508SS..Hα-helixtrans-66.9-38.1176.5-170.4178.5-66.5136.61.2111.5E324 A325 A332E324-R328 WeakPolarHBondContact O-CB 3.47Å; E324-R328 PolarHBondContact O-N 2.67Å; E324-R328 IonicContact OE1-NH2 2.92Å; E324-R328 PolarHBondContact OE1-NH2 2.9Å; E324-R328 IonicContact OE2-CZ 3.49Å; E324-R328 IonicContact OE2-NH1 3.57Å; E324-R328 IonicContact OE2-NH2 2.69Å; E324-R328 PolarHBondContact OE2-NH2 3.35Å; A325-R328 PolarHBondContact O-N 3.38Å; R328-A332 VanDerWaalsContact O-CB 3.23Å; R328-A332 WeakPolarHBondContact O-CB 3.39Å; R328-A332 PolarHBondContact O-N 3.36Å
329A82.3Confident81.2Confident59 Ų59102.2 Ų102.249%0.48852%0.516SS..Hα-helixtrans-66.6-46.2172.200000111.6A325 A326 A332 M333A325-A329 VanDerWaalsContact O-CB 3.28Å; A325-A329 WeakPolarHBondContact O-CB 3.03Å; A325-A329 PolarHBondContact O-N 3.34Å; A326-A329 PolarHBondContact O-N 3.21Å; A329-A332 CarbonylContact O-C 3.6Å; A329-A332 PolarHBondContact O-N 3.49Å; A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 PolarHBondContact O-N 2.97Å
330S89.8Confident81.5Confident73 Ų7398 Ų9851%0.5150%0.499SS..Hα-helixtrans-61.8-45.7176.6-1710000111.5A326 L327 A332 M333 Q334A326-S330 VanDerWaalsContact O-CB 3.28Å; A326-S330 WeakPolarHBondContact O-CB 3.37Å; A326-S330 PolarHBondContact O-N 3.14Å; L327-S330 PolarHBondContact O-N 3.39Å; S330-A332 VanDerWaalsContact C-N 3.33Å; S330-A332 PolarHBondContact O-N 3Å; S330-M333 CarbonylContact O-C 3.24Å; S330-M333 WeakPolarHBondContact O-CB 3.49Å; S330-M333 PolarHBondContact O-N 3.25Å; S330-M333 VanDerWaalsContact O-N 3.08Å; S330-Q334 WeakPolarHBondContact O-CB 3.42Å; S330-Q334 PolarHBondContact O-N 3.44Å
331M88.1Confident81.4Confident102 Ų10296 Ų9650%0.50250%0.497SS..Hα-helixtrans-62.9-35.3172.8-74-76.5170.200112.8L327 M333 R335L327-M331 VanDerWaalsContact O-CB 3.27Å; L327-M331 WeakPolarHBondContact O-CB 3.41Å; L327-M331 WeakPolarHBondContact O-CG 3.48Å; L327-M331 PolarHBondContact O-N 2.94Å; M331-M333 VanDerWaalsContact C-N 3.34Å; M331-R335 VanDerWaalsContact O-CB 3.31Å; M331-R335 WeakPolarHBondContact O-CB 3.44Å; M331-R335 VanDerWaalsContact O-CG 3.23Å; M331-R335 WeakPolarHBondContact O-CG 3.25Å; M331-R335 PolarHBondContact O-N 3.07Å
332A84.3Confident80.9Confident47 Ų4795.5 Ų95.539%0.38850%0.501SS..Hα-helixtrans-73-26.2173.300000112.9R328 A329 S330 Q336R328-A332 VanDerWaalsContact O-CB 3.23Å; R328-A332 WeakPolarHBondContact O-CB 3.39Å; R328-A332 PolarHBondContact O-N 3.36Å; A329-A332 CarbonylContact O-C 3.6Å; A329-A332 PolarHBondContact O-N 3.49Å; S330-A332 VanDerWaalsContact C-N 3.33Å; S330-A332 PolarHBondContact O-N 3Å; A332-Q336 VanDerWaalsContact O-CG 3.32Å; A332-Q336 WeakPolarHBondContact O-CG 3.45Å; A332-Q336 PolarHBondContact O-N 3.16Å; A332-Q336 PolarHBondContact O-NE2 3.37Å
333M83.5Confident80.6Confident136 Ų13689.4 Ų89.467%0.6747%0.473SS*.Hα-helixtrans-79.2-42.5174.7-156.8162.8-170.800110.5A329 S330 M331 Q336 T337A329-M333 WeakPolarHBondContact O-CB 3.33Å; A329-M333 PolarHBondContact O-N 2.97Å; S330-M333 CarbonylContact O-C 3.24Å; S330-M333 WeakPolarHBondContact O-CB 3.49Å; S330-M333 PolarHBondContact O-N 3.25Å; S330-M333 VanDerWaalsContact O-N 3.08Å; M331-M333 VanDerWaalsContact C-N 3.34Å; M333-Q336 CarbonylContact O-C 3.36Å; M333-Q336 WeakPolarHBondContact O-CA 3.25Å; M333-Q336 WeakPolarHBondContact O-CB 3.32Å; M333-Q336 PolarHBondContact O-N 3.47Å; M333-T337 PolarHBondContact O-N 2.86Å
334Q83.3Confident79.9Confident92 Ų9293.7 Ų93.743%0.4348%0.48SS..Hα-helixtrans-62.4-44.3171.7-178.5169.9-20.600111.5S330 Q336 T337 E338S330-Q334 WeakPolarHBondContact O-CB 3.42Å; S330-Q334 PolarHBondContact O-N 3.44Å; Q334-Q336 PolarHBondContact O-N 2.83Å; Q334-Q336 VanDerWaalsContact O-N 3.15Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.25Å; Q334-T337 PolarHBondContact O-N 3.23Å; Q334-T337 VanDerWaalsContact O-N 3.11Å; Q334-T337 PolarHBondContact O-OG1 2.94Å; Q334-E338 HydrophobicContact CG-CG 4.18Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.47Å; Q334-E338 PolarHBondContact NE2-OE1 2.83Å; Q334-E338 VanDerWaalsContact O-CB 3.32Å; Q334-E338 WeakPolarHBondContact O-CB 3.37Å; Q334-E338 VanDerWaalsContact O-CG 3.31Å; Q334-E338 WeakPolarHBondContact O-CG 3.39Å; Q334-E338 PolarHBondContact O-N 2.72Å
335R84.1Confident78.9Confident169 Ų16995.8 Ų95.864%0.63849%0.489SS*.Hα-helixtrans-64.1-18.4171.9-73.7174179.4-160.1-0.5113.6M331 R339M331-R335 VanDerWaalsContact O-CB 3.31Å; M331-R335 WeakPolarHBondContact O-CB 3.44Å; M331-R335 VanDerWaalsContact O-CG 3.23Å; M331-R335 WeakPolarHBondContact O-CG 3.25Å; M331-R335 PolarHBondContact O-N 3.07Å; R335-R339 WeakPolarHBondContact O-CB 3.46Å; R335-R339 WeakPolarHBondContact O-CD 3.26Å; R335-R339 VanDerWaalsContact O-CG 3.25Å; R335-R339 WeakPolarHBondContact O-CG 3.18Å; R335-R339 PolarHBondContact O-N 2.97Å
336Q78.7Confident77.7Confident90 Ų90100.2 Ų100.242%0.42150%0.504SS..Hα-helixtrans-86-35170.9-80176.682.500112.8A332 M333 Q334 A340A332-Q336 VanDerWaalsContact O-CG 3.32Å; A332-Q336 WeakPolarHBondContact O-CG 3.45Å; A332-Q336 PolarHBondContact O-N 3.16Å; A332-Q336 PolarHBondContact O-NE2 3.37Å; M333-Q336 CarbonylContact O-C 3.36Å; M333-Q336 WeakPolarHBondContact O-CA 3.25Å; M333-Q336 WeakPolarHBondContact O-CB 3.32Å; M333-Q336 PolarHBondContact O-N 3.47Å; Q334-Q336 PolarHBondContact O-N 2.83Å; Q334-Q336 VanDerWaalsContact O-N 3.15Å; Q336-A340 WeakPolarHBondContact O-CB 3.3Å; Q336-A340 PolarHBondContact O-N 2.94Å
337T77.7Confident76.6Confident83 Ų83104.1 Ų104.151%0.50951%0.512SS..Hα-helixtrans-73.9-3817356.40000111.8M333 Q334 A340 A341M333-T337 PolarHBondContact O-N 2.86Å; Q334-T337 WeakPolarHBondContact CA-OG1 3.25Å; Q334-T337 PolarHBondContact O-N 3.23Å; Q334-T337 VanDerWaalsContact O-N 3.11Å; Q334-T337 PolarHBondContact O-OG1 2.94Å; T337-A340 CarbonylContact O-C 3.54Å; T337-A340 PolarHBondContact O-N 2.77Å; T337-A341 VanDerWaalsContact O-CB 3.22Å; T337-A341 WeakPolarHBondContact O-CB 3.49Å; T337-A341 PolarHBondContact O-N 2.98Å
338E79.7Confident75Confident99 Ų99108.8 Ų108.846%0.46352%0.522SS..Hα-helixtrans-61.5-44.1171.2-74.2169.2178.600111.3Q334 A341 M342Q334-E338 HydrophobicContact CG-CG 4.18Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.47Å; Q334-E338 PolarHBondContact NE2-OE1 2.83Å; Q334-E338 VanDerWaalsContact O-CB 3.32Å; Q334-E338 WeakPolarHBondContact O-CB 3.37Å; Q334-E338 VanDerWaalsContact O-CG 3.31Å; Q334-E338 WeakPolarHBondContact O-CG 3.39Å; Q334-E338 PolarHBondContact O-N 2.72Å; E338-A341 PolarHBondContact O-N 3.09Å; E338-M342 VanDerWaalsContact O-CB 3.3Å; E338-M342 WeakPolarHBondContact O-CB 3.46Å; E338-M342 PolarHBondContact O-N 3.48Å
339R79.3Confident73.3Confident173 Ų173107.5 Ų107.565%0.65353%0.533SS*.Hα-helixtrans-58.8-54.2169.4-81.6174.7170.9164.2-2.8110.7R335 A341 M342 L343R335-R339 WeakPolarHBondContact O-CB 3.46Å; R335-R339 WeakPolarHBondContact O-CD 3.26Å; R335-R339 VanDerWaalsContact O-CG 3.25Å; R335-R339 WeakPolarHBondContact O-CG 3.18Å; R335-R339 PolarHBondContact O-N 2.97Å; R339-A341 PolarHBondContact O-N 3.38Å; R339-M342 PolarHBondContact O-N 3.45Å; R339-L343 HydrophobicContact CB-CD1 4.42Å; R339-L343 WeakPolarHBondContact O-CB 3.32Å; R339-L343 WeakPolarHBondContact O-CD1 3.17Å; R339-L343 WeakPolarHBondContact O-CG 3.48Å; R339-L343 PolarHBondContact O-N 3.24Å
340A74.4Confident71.4Confident19 Ų19113.5 Ų113.516%0.15755%0.553CS.*Hα-helixtrans-58.8-30.117900000113.7Q336 T337 R344Q336-A340 WeakPolarHBondContact O-CB 3.3Å; Q336-A340 PolarHBondContact O-N 2.94Å; T337-A340 CarbonylContact O-C 3.54Å; T337-A340 PolarHBondContact O-N 2.77Å; A340-R344 WeakPolarHBondContact O-CB 3.48Å; A340-R344 VanDerWaalsContact O-CG 3.23Å; A340-R344 WeakPolarHBondContact O-CG 3.47Å; A340-R344 PolarHBondContact O-N 3.39Å
341A72.8Confident68.9Low55 Ų55116.6 Ų116.646%0.45557%0.569SS.*Hα-helixtrans-76.3-47.9176.800000112.2T337 E338 R339 L343 R344 Q345T337-A341 VanDerWaalsContact O-CB 3.22Å; T337-A341 WeakPolarHBondContact O-CB 3.49Å; T337-A341 PolarHBondContact O-N 2.98Å; E338-A341 PolarHBondContact O-N 3.09Å; R339-A341 PolarHBondContact O-N 3.38Å; A341-L343 PolarHBondContact O-N 3.29Å; A341-R344 CarbonylContact O-C 3.55Å; A341-R344 PolarHBondContact O-N 3Å; A341-Q345 WeakPolarHBondContact O-CB 3.27Å; A341-Q345 PolarHBondContact O-N 3.05Å
342M71.1Confident66.6Low117 Ų117120.6 Ų120.658%0.57659%0.586SS**Hα-helixtrans-59.6-29.4176.7-168177.7-161.500111.9E338 R339 Q345 M346E338-M342 VanDerWaalsContact O-CB 3.3Å; E338-M342 WeakPolarHBondContact O-CB 3.46Å; E338-M342 PolarHBondContact O-N 3.48Å; R339-M342 PolarHBondContact O-N 3.45Å; M342-Q345 VanDerWaalsContact O-CB 3.24Å; M342-Q345 WeakPolarHBondContact O-CB 3.42Å; M342-Q345 PolarHBondContact O-N 3.17Å; M342-M346 PolarHBondContact O-N 2.93Å
343L70.6Confident64.3Low17 Ų17128 Ų1289%0.08961%0.61CS.*Hα-helixtrans-86.6-37.7-179.5-63.2167.5000112.3R339 A341 Q345 M346 E347 N391 T392R339-L343 HydrophobicContact CB-CD1 4.42Å; R339-L343 WeakPolarHBondContact O-CB 3.32Å; R339-L343 WeakPolarHBondContact O-CD1 3.17Å; R339-L343 WeakPolarHBondContact O-CG 3.48Å; R339-L343 PolarHBondContact O-N 3.24Å; A341-L343 PolarHBondContact O-N 3.29Å; L343-Q345 PolarHBondContact O-N 3.18Å; L343-Q345 VanDerWaalsContact O-N 3.17Å; L343-M346 HydrophobicContact CD2-SD 3.78Å; L343-M346 WeakPolarHBondContact O-CA 3.09Å; L343-M346 WeakPolarHBondContact O-CB 3.09Å; L343-M346 PolarHBondContact O-N 3.03Å; L343-E347 PolarHBondContact O-N 3.42Å; L343-N391 WeakPolarHBondContact CB-O 3.38Å; L343-N391 HydrophobicContact CD1-CB 3.5Å; L343-N391 HydrophobicContact CD2-CB 3.43Å; L343-N391 VanDerWaalsContact CD2-CB 3.43Å; L343-N391 WeakPolarHBondContact CD2-O 3.4Å; L343-N391 HydrophobicContact CG-CB 4.06Å; L343-T392 WeakPolarHBondContact CB-O 3.32Å; L343-T392 WeakPolarHBondContact CD1-O 3.48Å; L343-T392 WeakPolarHBondContact CD1-OG1 3.39Å
344R64.4Low62.1Low176 Ų176129.9 Ų129.966%0.66462%0.617SS**Hα-helixtrans-58.7-20.3160.4-78.5173.4165.8-141.2-3.6113.3A340 A341A340-R344 WeakPolarHBondContact O-CB 3.48Å; A340-R344 VanDerWaalsContact O-CG 3.23Å; A340-R344 WeakPolarHBondContact O-CG 3.47Å; A340-R344 PolarHBondContact O-N 3.39Å; A341-R344 CarbonylContact O-C 3.55Å; A341-R344 PolarHBondContact O-N 3Å
345Q60.9Low59.7Low146 Ų146130.8 Ų130.868%0.68263%0.628SS**Hα-helixtrans-81.4-30.6173.5-151.4172.81200111.9A341 M342 L343A341-Q345 WeakPolarHBondContact O-CB 3.27Å; A341-Q345 PolarHBondContact O-N 3.05Å; M342-Q345 VanDerWaalsContact O-CB 3.24Å; M342-Q345 WeakPolarHBondContact O-CB 3.42Å; M342-Q345 PolarHBondContact O-N 3.17Å; L343-Q345 PolarHBondContact O-N 3.18Å; L343-Q345 VanDerWaalsContact O-N 3.17Å
346M55.8Low57.2Low140 Ų140129.8 Ų129.869%0.6963%0.631SS**Hα-helixtrans-75-28.9170.2-66.2175.5-179.400112.5M342 L343 R348M342-M346 PolarHBondContact O-N 2.93Å; L343-M346 HydrophobicContact CD2-SD 3.78Å; L343-M346 WeakPolarHBondContact O-CA 3.09Å; L343-M346 WeakPolarHBondContact O-CB 3.09Å; L343-M346 PolarHBondContact O-N 3.03Å; M346-R348 VanDerWaalsContact C-N 3.3Å; M346-R348 PolarHBondContact O-N 3.29Å
347E56.4Low54.8Low140 Ų140135.1 Ų135.165%0.65465%0.648SS**THydrogen-bonded Turntrans-82.39177.2-68.8-177.4150.500114.5L343 P349L343-E347 PolarHBondContact O-N 3.42Å; E347-P349 WeakPolarHBondContact O-CD 3.42Å
348R53.5Low53.3Low207 Ų207136.2 Ų136.278%0.78166%0.656SS**  trans-90117.7178-91.6-172.7167.3-162.1-3.6112.7M346M346-R348 VanDerWaalsContact C-N 3.3Å; M346-R348 PolarHBondContact O-N 3.29Å
349P48.1Very low51Low118 Ų118137.1 Ų137.177%0.76667%0.668SS**  trans-71138.4173-1631.2000112.1E347 T351E347-P349 WeakPolarHBondContact O-CD 3.42Å; P349-T351 PolarHBondContact O-N 3.21Å
350M43.1Very low48.5Very low185 Ų185134 Ų13491%0.91167%0.668SS**  trans-78112.4165.3-84.8-165.5172.200110.8Q352M350-Q352 PolarHBondContact O-N 3.19Å
351T38.1Very low46.7Very low137 Ų137140.4 Ų140.484%0.8470%0.695SS**  trans-84.1104.6158.750.40000109.3P349P349-T351 PolarHBondContact O-N 3.21Å
352Q39.7Very low45Very low186 Ų186146.3 Ų146.387%0.86971%0.705SS**  trans-61.6146.8172.7-68.8176.6-42.200111.4M350M350-Q352 PolarHBondContact O-N 3.19Å
353K35.3Very low43.4Very low203 Ų203147.2 Ų147.288%0.88371%0.708SS**  trans-127140.9149-158171.7-175.6-178.30108.5
354Q36.5Very low41.8Very low176 Ų176151.4 Ų151.482%0.82274%0.735SS**  trans-76.3168-171.8-58.8154.8-16.300111.4
355T32.7Very low40.4Very low110 Ų110149.7 Ų149.768%0.67573%0.734SS**  cis-108.9-150.21.558.20000110.2
356E32.9Very low39.4Very low148 Ų148153 Ų15369%0.69274%0.74SS**  cis-153.7-165.28.4-155.532.788.900112.5
357R28.9Very low39.6Very low203 Ų203151.7 Ų151.777%0.76674%0.743SS**  trans-131.7179.8178-49.6-177.179.4-164.65.7108.2
358P44.7Very low38.6Very low106 Ų106151.4 Ų151.469%0.68875%0.75SS**  cis-140.8164.66.244.4-27000117.6
359V31.5Very low37.8Very low118 Ų118146.9 Ų146.972%0.71575%0.746SS**  trans59.1141132.3174.60000119
360T27.8Very low37.5Very low107 Ų107147.9 Ų147.966%0.65674%0.74SS**  cis-155139.238.6-6.60000109.2
361Q36Very low37.4Very low153 Ų153148.2 Ų148.272%0.71573%0.731SS**  65.4147.799.9-66.8-168.65.600117.7
362R36.4Very low37.6Very low179 Ų179148.2 Ų148.268%0.67572%0.722SS**  cis-168.61610.9-119.5178.3164.4-1499.4114.4
363Q39.1Very low37.5Very low137 Ų137144.3 Ų144.364%0.6471%0.711SS**  trans65.8142.1143.9-71.1-178.4-7700122.6
364T35.9Very low37.6Very low105 Ų105141.2 Ų141.264%0.64470%0.699SS**  cis-146.9-121.2-32.7-21.40000110.7
365E36.2Very low37.2Very low140 Ų140142.3 Ų142.365%0.65470%0.696SS**  cis-154-151-5.5-153.245.785.600113.2
366R39.3Very low38.4Very low214 Ų214142.3 Ų142.381%0.80870%0.698SS**  trans-152.6-159-161-49.5178.5103.6-162.17.4109.9
367P59.5Low38.3Very low114 Ų114140.9 Ų140.974%0.7470%0.699SS**  cis-139.7178.2-10.742.4-24.9000116.6
368V36.2Very low38.4Very low133 Ų133137.3 Ų137.381%0.80670%0.7SS**  trans178.9146.8149.4134.10000108
369T36.7Very low37.6Very low113 Ų113140.2 Ų140.269%0.69370%0.704SS**  cis-132.3-60.4-3.5-0.40000114
370Q41.3Very low37.3Very low139 Ų139144.2 Ų144.265%0.6571%0.706SS**  trans-171.8176.3-157-99.1156.78000108.3
371R40.3Very low37.2Very low192 Ų192146.3 Ų146.373%0.72571%0.709SS**  cis-160.2166.85.3-121.7175.3-145.9-112.52.5107
372Q42.4Very low36.7Very low136 Ų136144.1 Ų144.164%0.63671%0.706SS**  cis-148.3-84-7.7-158.4178.7-83.300113.4
373T37.6Very low36.1Very low104 Ų104144.5 Ų144.564%0.63872%0.715SS**  trans-165.7158.5-155.542.70000111
374E37Very low35.7Very low138 Ų138149.1 Ų149.165%0.64573%0.727SS**  cis-172.8176.1-23.7-153.8-156.7-20.600107.8
375R29.1Very low35.3Very low199 Ų199149.9 Ų149.975%0.75173%0.734SS**  trans85.7146.2151.5-80174.2-167.8-110.5-18.9121.3
376P57.4Low34.9Very low110 Ų110147 Ų14771%0.71473%0.734SS**  -146.4-162.3-119.536.6-11.1000117.2
377V31.5Very low34.2Very low118 Ų118145.5 Ų145.572%0.71574%0.738SS**  trans107.8130.3153-168.30000118.7
378T30Very low32.7Very low128 Ų128149.1 Ų149.179%0.78575%0.745SS**  trans76.6132.716036.90000125.3
379Q28.4Very low32Very low168 Ų168152.2 Ų152.279%0.78575%0.751SS**  trans82.4120.5144.1-81.9-168.4-2.100124.4
380R25.6Very low31.6Very low201 Ų201156.8 Ų156.876%0.75876%0.756SS**  trans50.4118.7136.2-75.5-165.5148.1153.9-1120.2
381Q24.6Very low30.9Very low152 Ų152154.8 Ų154.871%0.7175%0.749SS**  69.913383.8-70.5175.9-29.700113
382T26.2Very low30.5Very low107 Ų107148.9 Ų148.966%0.65674%0.735SS**  cis-148.2147.917.6-20.70000113.9
383E24.5Very low30Very low186 Ų186144.4 Ų144.487%0.86972%0.718SS**  trans52.9118.8154-79.8156.6-125.800123
384R29.8Very low29.6Very low234 Ų234146.9 Ų146.988%0.88372%0.72SS**  trans-154.2142.7163.8-179.6-176.1-176.9-176.42.6108.5
385P28.1Very low29.3Very low121 Ų121148.6 Ų148.679%0.78673%0.728SS**  trans-134.8163.3140.837.4-26.9000113.8
386A27.6Very low29.2Very low80 Ų80143.4 Ų143.466%0.66172%0.721SS**  trans-86.1159.9161.700000109
387M25.5Very low27.9Very low183 Ų183148.2 Ų148.290%0.90173%0.725SS**  cis6369.735.9-73.5-74.6-175.300114.4
388Q26.8Very low27.8Very low189 Ų189147.9 Ų147.988%0.88372%0.719SS**  171.3111106.5176.6164.7-30.500112.8
389E21.8Very low27.7Very low198 Ų198148.8 Ų148.893%0.92572%0.715SS**  trans-151.3160.9130.6-131.5178.4-177.100110.5
390R28.8Very low27.9Very low210 Ų210150.2 Ų150.279%0.79271%0.713SS**  trans-157.9128.7-172.4167.5-169.7-74.7-178.9-1.7110.8
391N26.1Very low28.1Very low97 Ų97147.3 Ų147.352%0.51971%0.711SS.*  -166.1115.7122.8-84.8-38000107.1L343L343-N391 WeakPolarHBondContact CB-O 3.38Å; L343-N391 HydrophobicContact CD1-CB 3.5Å; L343-N391 HydrophobicContact CD2-CB 3.43Å; L343-N391 VanDerWaalsContact CD2-CB 3.43Å; L343-N391 WeakPolarHBondContact CD2-O 3.4Å; L343-N391 HydrophobicContact CG-CB 4.06Å
392T32.4Very low28.8Very low68 Ų68146.6 Ų146.642%0.41771%0.707SS.*  76.3150.998.588.60000115.4L343L343-T392 WeakPolarHBondContact CB-O 3.32Å; L343-T392 WeakPolarHBondContact CD1-O 3.48Å; L343-T392 WeakPolarHBondContact CD1-OG1 3.39Å
393S31.3Very low29.2Very low41 Ų41150.5 Ų150.529%0.28771%0.71SS.*  cis-164.4149.319.9-6.80000114.2
394K29.8Very low29.4Very low157 Ų157149.2 Ų149.268%0.68371%0.708SS**  trans62.3135.8145.3-58.7177.1-178.2-168.30119.1
395H29.5Very low29.6Very low173 Ų173146.2 Ų146.280%0.80170%0.704SS**  cis81.1123.722.6-160.8-74.3000114
396C27.7Very low29.6Very low91 Ų91147.8 Ų147.862%0.61571%0.705SS**  cis-152.9167.2-7.8-97.20000108.2
397R29.8Very low29.4Very low210 Ų210151.6 Ų151.679%0.79271%0.709SS**  cis69135.346.9-85.5-159.1109.8172.62.3115.1
398D29.5Very low29.6Very low111 Ų111148.5 Ų148.559%0.59469%0.692SS**  cis-163.9-175-6.7-141.414.4000116.7
399E28.5Very low29.9Very low147 Ų147145.6 Ų145.669%0.68769%0.69SS**  trans-57.2-171.3171.8-76.7-160.4112.600119.7
400R31.2Very low30.1Very low198 Ų198144.7 Ų144.775%0.74768%0.678SS**  cis170.4145.2-38.5-168-179.7-174.8-1752.2111.9
401I31.2Very low29.9Very low140 Ų140142.7 Ų142.772%0.71868%0.677SS**  trans73.4174160.1-82.3162.6000119.8
402E38.6Very low29.8Very low137 Ų137146.2 Ų146.264%0.6469%0.693SS**  trans-132.7-160.7-153.4-53.4160.77200112.9
403R34.5Very low29.5Very low190 Ų190149.7 Ų149.772%0.71771%0.714SS**  cis-167.9-178.18-151.1-179.9-75147.21.9112
404I29.3Very low29Very low158 Ų158151 Ų15181%0.8173%0.734SS**  trans88.7158.5158.8-67.2169.6000118.9
405E33.1Very low29.5Very low171 Ų171149.2 Ų149.280%0.79974%0.738SS**  trans-118.8161.7-155.1-52.9165.510400116
406L28.6Very low29.4Very low154 Ų154148.9 Ų148.981%0.80674%0.741SS**  159146.4120.9-87.5165.3000117.6
407E23.3Very low29.2Very low161 Ų161153.7 Ų153.775%0.75275%0.751SS**  trans73.5156.5151.3-81.1-55.7132.600127.1
408E30.7Very low29.6Very low118 Ų118149.4 Ų149.455%0.55175%0.75SS**  trans-78.3169.6-173-53.3-165.3104.400115.8R410E408-R410 IonicContact OE1-NE 2.72Å; E408-R410 IonicContact OE2-CZ 3.32Å; E408-R410 IonicContact OE2-NE 2.75Å; E408-R410 PolarHBondContact OE2-NE 3.43Å; E408-R410 IonicContact OE2-NH2 2.72Å; E408-R410 PolarHBondContact OE2-NH2 2.94Å
409P31.3Very low29.4Very low128 Ų128148.5 Ų148.583%0.83175%0.753SS**  -145175.888.436.4-17.6000117.3
410R26Very low29.3Very low178 Ų178147.3 Ų147.367%0.67275%0.751SS**  trans-88.5-178.6-171-57.1152.7-162.4174.56.1111.6E408E408-R410 IonicContact OE1-NE 2.72Å; E408-R410 IonicContact OE2-CZ 3.32Å; E408-R410 IonicContact OE2-NE 2.75Å; E408-R410 PolarHBondContact OE2-NE 3.43Å; E408-R410 IonicContact OE2-NH2 2.72Å; E408-R410 PolarHBondContact OE2-NH2 2.94Å
411H25.7Very low29.1Very low168 Ų168146.7 Ų146.778%0.77875%0.754SS**  cis-163.616437.8-67.8-101.2000114.4
412M24.8Very low29.7Very low172 Ų172145.5 Ų145.585%0.84776%0.755SS**  trans5.4154150.2-53.9-59.2175.100121.6
413T24.3Very low30.5Very low141 Ų141144.3 Ų144.387%0.86576%0.759SS**  cis-162.4170.943.4-39.50000112.8
414G22.4Very low30.2Very low68 Ų68141.5 Ų141.570%0.70176%0.763SS**  trans-82.7-149-178.300000116.9
415P39.3Very low30.4Very low119 Ų119143 Ų14377%0.77376%0.763SS**  cis-149.6176.316.145.7-25.7000120.4
416I26.7Very low30.3Very low167 Ų167139.9 Ų139.986%0.85676%0.757SS**  trans80.7156.4145.5-74.7158.5000123.2
417K24.4Very low30.4Very low192 Ų192141.2 Ų141.284%0.83576%0.761SS**  trans-90.4-169.3-170.1-62178.9175.6174.70112.8
418P37.5Very low30.5Very low120 Ų120142.5 Ų142.578%0.77976%0.764SS**  cis-154.3-178.913.447.3-25.3000122.1
419S25.5Very low30.4Very low92 Ų92140.2 Ų140.264%0.64376%0.761SS**  trans84.6108.5133.7-175.70000126.3
420N26.3Very low30.3Very low122 Ų122139.5 Ų139.565%0.65276%0.759SS**  trans71.7125.4130-74.5-72.6000127.2
421K28.6Very low30.6Very low185 Ų185138.5 Ų138.580%0.80477%0.767SS**  trans69.1167.6130.5-67.7172.6-179.6175.50120.8
422P43.2Very low31.5Very low114 Ų114136.1 Ų136.174%0.7477%0.767SS**  cis-117.2-138.6-15.630.9-8.3000110.1
423P55Low31.6Very low113 Ų113131 Ų13173%0.73476%0.758SS**  cis-103.7-137.8-39.511.714.1000111.3
424V28.2Very low31.9Very low130 Ų130131.3 Ų131.379%0.78875%0.754SS**  cis-145-150.84.3-147.10000112
425K34.3Very low32.2Very low189 Ų189136 Ų13682%0.82276%0.758SS**  trans-156.2177.6-169.7-53.3-178.5-177.9175.90111.5
426T29.8Very low31.7Very low107 Ų107138 Ų13866%0.65676%0.762SS**  cis-158.7141.320.639.70000114.8
427M30.5Very low31.7Very low181 Ų181137.1 Ų137.189%0.89276%0.759SS**  trans60.6157.7131.1-66.3175.9179.500122.3
428K26.4Very low32Very low188 Ų188136.7 Ų136.782%0.81776%0.757SS**  cis-163.7166.2-8.2161.172.8171.6152.90110.9
429S28.5Very low32.1Very low71 Ų71136.6 Ų136.650%0.49776%0.756SS.*  trans-64.6160.5-168.258.70000121.3
430S28.7Very low32.2Very low112 Ų112135.8 Ų135.878%0.78376%0.755SS**  165.8158.5110.2-80.50000116.4
431N32.4Very low32.2Very low158 Ų158138.8 Ų138.885%0.84577%0.77SS**  trans-121.3-178.5165.6-109.534.1000107.8
432P45Very low32Very low118 Ų118133.7 Ų133.777%0.76677%0.771SS**  cis-142.1-169.216.445.4-26000117
433G26.1Very low31.2Very low64 Ų64132.9 Ų132.966%0.6677%0.774SS**  trans74161.4153.800000119.3
434D31.1Very low29.8Very low147 Ų147133.1 Ų133.179%0.78678%0.778SS**  cis-165.4172.7-21-120.6-52.4000111.5
435E28.2Very low29.7Very low168 Ų168131.4 Ų131.479%0.78578%0.777SS**  trans63.7122.9153.6-70.9165.4-176.700124.3
436D28.8Very low29.4Very low159 Ų159129.3 Ų129.385%0.8578%0.78SS**  trans86.1158.5130-98.7-52.9000129.5
437D28.2Very low29.3Very low150 Ų150128.3 Ų128.380%0.80278%0.783SS**  trans91.9144.2157.7-129.6-32.5000122.9
438F29.8Very low30Very low183 Ų183124.9 Ų124.980%0.80377%0.774SS**  trans-160.2116.7-167.6-160.1-59000113.1
439P38.9Very low30.1Very low117 Ų117123.8 Ų123.876%0.7678%0.775SS**  trans-136.1148.4148.435.3-22.3000113.3
440A27.6Very low30Very low75 Ų75124.9 Ų124.962%0.6279%0.789SS**  cis97.5120.218.300000116.9
441L27.1Very low30.1Very low185 Ų185129.2 Ų129.297%0.96979%0.793SS**  trans72149.6161.3-52177.9000119.6
442G24.2Very low30.7Very low79 Ų79127.8 Ų127.881%0.81479%0.793SS**  trans147.8131.8171.800000114.8
443A26.1Very low29.8Very low97 Ų97125.2 Ų125.280%0.80279%0.788SS**  trans-151.4171.2-144.200000115
444S26Very low31.1Very low117 Ų117128.7 Ų128.782%0.81880%0.799SS**  trans74.5111.9157.4-61.40000121.9
445A25.9Very low31Very low94 Ų94126.1 Ų126.178%0.77780%0.798SS**  60.5136.2125.700000123.4
446V28.1Very low31.1Very low145 Ų145122.7 Ų122.788%0.87980%0.798SS**  173.3151.8118.8152.30000110.4
447A28.6Very low32Very low86 Ų86120.7 Ų120.771%0.71179%0.794SS**  trans-130.3165.1172.100000109.8
448P43.3Very low32.1Very low109 Ų109118.1 Ų118.171%0.70879%0.794SS**  -162167.3102.341.6-22.7000118.9
449I28.4Very low32.1Very low166 Ų166114.4 Ų114.485%0.85180%0.796SS**  trans66.8145.5141.9-73.8165.3000118
450A27.9Very low31.7Very low94 Ų94113.9 Ų113.978%0.77780%0.802SS**  cis-141.9-166.218.800000115.6
451K30.5Very low31.7Very low202 Ų202114.5 Ų114.588%0.87881%0.807SS**  trans-127-180-179.8-100.4179.5-178.1178.30109.6
452P44Very low31.7Very low128 Ų128113.3 Ų113.383%0.83180%0.801SS**  cis-142.4-170.626.842.2-20.2000118.1
453G26.8Very low31.9Very low64 Ų64116.4 Ų116.466%0.6679%0.792SS**  trans-99.2-147178.200000114.8
454P53.6Low31.9Very low137 Ų137118.5 Ų118.589%0.8979%0.785SS**  cis-113.4-135.137.423.20.4000112.8
455A29.3Very low32.1Very low94 Ų94120.5 Ų120.578%0.77778%0.782SS**  cis-159.8-175.67.300000113.3
456A30.5Very low32.2Very low95 Ų95124.5 Ų124.579%0.78578%0.784SS**  trans-153.7-171.2179.900000110.2
457P47.3Very low32Very low118 Ų118127.2 Ų127.277%0.76679%0.785SS**  cis-151.1-175.142.944.4-22.7000119.4
458A31.2Very low32.7Very low96 Ų96128.3 Ų128.379%0.79379%0.785SS**  trans71.5149.6151.100000120.5
459A28.3Very low31.7Very low104 Ų104128 Ų12886%0.8679%0.785SS**  cis-161.1-175.8-14.400000110.7
460A30.2Very low31.7Very low107 Ų107127.9 Ų127.988%0.88479%0.785SS**  trans-147.2157.6-170.500000116.8
461A27.6Very low31.6Very low88 Ų88128.8 Ų128.873%0.72779%0.786SS**  trans-168.5137.1165.300000109.4
462L28.1Very low31.4Very low159 Ų159123.6 Ų123.683%0.83278%0.775SS**  64.814476.8-55.3178000114.3
463K27.1Very low30.6Very low144 Ų144124.2 Ų124.263%0.62678%0.777SS**  cis-167.2150.910.9-131.7167.6159.2-101.20112
464E27.3Very low30.6Very low141 Ų141124.8 Ų124.866%0.65978%0.775SS**  trans62.5162.4147.6-69.8159170.600120.2
465E29.7Very low29.3Very low160 Ų160125 Ų12575%0.74877%0.774SS**  cis-161.9170.5-12.7-104.2-74.2176.300112.1
466E27.6Very low29.2Very low178 Ų178125.8 Ų125.883%0.83277%0.773SS**  trans64.3163.3160.5-80.6-164.7113.100126
467F24.4Very low29.2Very low202 Ų202126.8 Ų126.889%0.88677%0.774SS**  trans-120.3-157.8-172.6-83.6-101.3000110.1
468P42.7Very low29.1Very low109 Ų109127 Ų12771%0.70878%0.776SS**  cis-131.4-170.5-27.622.72.4000114.7
469S24.2Very low29.1Very low103 Ų103131.1 Ų131.172%0.7278%0.781SS**  trans74141151.5-67.30000119.5
470L28.5Very low29.3Very low162 Ų162131.9 Ų131.985%0.84878%0.775SS**  cis116152.415.5-82.1175.8000112.3
471S25.4Very low30Very low113 Ų113133.2 Ų133.279%0.7978%0.775SS**  trans82.5151.7175.2-55.60000117.5
472S26.3Very low29.9Very low94 Ų94133.8 Ų133.866%0.65778%0.779SS**  cis-172.8159.7-20.6-93.70000111.2
473T26.5Very low29.8Very low140 Ų140137 Ų13786%0.85978%0.782SS**  trans64.4156153.344.80000120
474A26.9Very low30.3Very low76 Ų76134.8 Ų134.863%0.62878%0.784SS**  cis-169.9158.6-15.900000113.5
475V25.9Very low30.2Very low143 Ų143131.7 Ų131.787%0.86779%0.791SS**  trans55.7165.2158.6-59.10000119
476S26.8Very low30.3Very low109 Ų109132.1 Ų132.176%0.76279%0.793SS**  cis-145.1172.610.5-62.20000112.4
477S30.7Very low30.8Very low116 Ų116129.5 Ų129.581%0.81179%0.791SS**  trans-109.2173.1167.6-50.10000112.4
478P45.9Very low31.1Very low122 Ų122128.6 Ų128.679%0.79279%0.787SS**  -154.9144.8110.737.5-19000119.4
479M31.2Very low30.5Very low183 Ų183132.5 Ų132.590%0.90179%0.793SS**  trans53.7159.8137.4-58.4-14677.300125.4
480T32.1Very low30.6Very low121 Ų121134.9 Ų134.974%0.74280%0.797SS**  trans-117.5173.8179.951.80000112.1
481P44.7Very low30.6Very low134 Ų134132.5 Ų132.587%0.8780%0.795SS**  trans-138.6176.1133.839.1-27.9000113.8
482A27Very low30.6Very low100 Ų100133.1 Ų133.183%0.82680%0.799SS**  trans-140.7153.6-179.800000112.7
483Y25Very low30.4Very low228 Ų228134.1 Ų134.189%0.89479%0.791SS**  trans-155.3169.8162.7-151.4-103000112.4
484S37.7Very low30.7Very low96 Ų96136.5 Ų136.567%0.67179%0.793SS**  trans-109.4165.2-169.657.20000114.3
485G26.1Very low31.3Very low77 Ų77137.6 Ų137.679%0.79479%0.785SS**  trans177.7144.7172.500000115.2
486Q31.6Very low31.8Very low168 Ų168139.1 Ų139.179%0.78578%0.782SS**  trans-134.8145.4174.5-97.1-85.7-35.500108.5
487P38.2Very low32Very low124 Ų124140.3 Ų140.381%0.80578%0.78SS**  -145.5167.7126.136.2-20.6000115.4
488K30.3Very low32Very low183 Ų183138 Ų13880%0.79676%0.756SS**  trans-93.2155.1-178.3-51.7171.7-179178.40112.8
489K29.8Very low31.6Very low191 Ų191137.2 Ų137.283%0.8375%0.751SS**  170.1137.1118.8-94.2169.5-178.8-177.80113.3
490N25.3Very low31.7Very low152 Ų152131.7 Ų131.781%0.81373%0.734SS**  trans43.4159.9146.4-59.432.5000121.7
491S29.3Very low31.8Very low113 Ų113127.8 Ų127.879%0.7971%0.709SS**  cis-174.8125.4-35.9-172.30000107.1
492S25.4Very low31.3Very low125 Ų125126.3 Ų126.387%0.87470%0.697SS**  trans-161147.1159.8-165.70000109.5
493F23.1Very low31.5Very low116 Ų116125.7 Ų125.751%0.50968%0.684SS.*  trans-107.6133.4-164.3176.5-91000111.6E495 E821F493-E495 HydrophobicContact CE1-CB 3.82Å; F493-E495 HydrophobicContact CE1-CG 4.44Å; F493-E495 HydrophobicContact CZ-CB 3.72Å; F493-E495 HydrophobicContact CZ-CG 3.85Å; F493-E821 WeakPolarHBondContact CE2-OE1 3.32Å
494Q30.8Very low32Very low189 Ų189125 Ų12588%0.88369%0.686SS**  trans-132.5128.9149.3-72.2-168.6-18.100107.4
495E39.7Very low31.8Very low100 Ų100126.1 Ų126.147%0.46769%0.688SS.*  trans-74171.9167.1-140.3165.4171.500109.6F493 K814F493-E495 HydrophobicContact CE1-CB 3.82Å; F493-E495 HydrophobicContact CE1-CG 4.44Å; F493-E495 HydrophobicContact CZ-CB 3.72Å; F493-E495 HydrophobicContact CZ-CG 3.85Å; E495-K814 IonicContact OE1-NZ 3.26Å; E495-K814 PolarHBondContact OE1-NZ 3.24Å
496E36.4Very low31.9Very low174 Ų174133.5 Ų133.581%0.81369%0.692SS**  trans7632.8-178.3-49.3-56.9154.300118.2
497D32.3Very low31.7Very low134 Ų134133.5 Ų133.572%0.71770%0.697SS**  trans-128.8134.2151.2-163.8-4.2000111.8
498F31.3Very low31.4Very low69 Ų69133.1 Ų133.130%0.30369%0.694SS.*  trans-136.7104.7-179.5-136.7-82.8000109.9A500 I810 F824F498-A500 PolarHBondContact O-N 3.43Å; F498-I810 HydrophobicContact CB-CD1 4.42Å; F498-I810 HydrophobicContact CD1-CD1 3.47Å; F498-I810 VanDerWaalsContact CD1-CD1 3.47Å; F498-I810 HydrophobicContact CD1-CG1 4.22Å; F498-I810 HydrophobicContact CD2-CD1 4.02Å; F498-I810 HydrophobicContact CD2-CG2 3.97Å; F498-I810 HydrophobicContact CE1-CD1 3.57Å; F498-I810 HydrophobicContact CE1-CG1 3.79Å; F498-I810 HydrophobicContact CE2-CB 4.48Å; F498-I810 HydrophobicContact CE2-CD1 4.11Å; F498-I810 HydrophobicContact CE2-CG1 4.11Å; F498-I810 HydrophobicContact CE2-CG2 3.55Å; F498-I810 HydrophobicContact CG-CD1 3.69Å; F498-I810 HydrophobicContact CZ-CB 4.47Å; F498-I810 HydrophobicContact CZ-CD1 3.89Å; F498-I810 HydrophobicContact CZ-CG1 3.72Å; F498-I810 HydrophobicContact CZ-CG2 3.98Å; F498-F824 AromaticContact CE2-CE1 3.69Å; F498-F824 HydrophobicContact CE2-CE1 3.69Å; F498-F824 AromaticContact CE2-CZ 3.45Å; F498-F824 HydrophobicContact CE2-CZ 3.45Å; F498-F824 VanDerWaalsContact CE2-CZ 3.45Å; F498-F824 HydrophobicContact CZ-CE1 4.06Å; F498-F824 HydrophobicContact CZ-CE2 4.32Å; F498-F824 AromaticContact CZ-CZ 3.5Å; F498-F824 HydrophobicContact CZ-CZ 3.5Å; F498-F824 VanDerWaalsContact CZ-CZ 3.5Å
499P36.9Very low31.3Very low105 Ų105134.1 Ų134.168%0.68270%0.699SS**  trans-57.4105-176.5-28.836.6000112.5
500A32.7Very low31.6Very low67 Ų67130.7 Ų130.755%0.55470%0.696SS**  trans-69.1154.8-163.800000114.3F498 V502F498-A500 PolarHBondContact O-N 3.43Å; A500-V502 HydrophobicContact CB-CG2 4.29Å; A500-V502 PolarHBondContact O-N 3.27Å
501L34.9Very low31.6Very low39 Ų39128.4 Ų128.420%0.20470%0.698CS.*SBendtrans-75.138.1179.9-71.3168.7000113.6F802 P868L501-F802 HydrophobicContact CB-CZ 4.08Å; L501-F802 HydrophobicContact CD1-CZ 4.41Å; L501-P868 HydrophobicContact CB-CG 4.08Å; L501-P868 HydrophobicContact CD2-CG 4.33Å; L501-P868 WeakPolarHBondContact O-CG 3.41Å
502V32.8Very low31.6Very low102 Ų102127.7 Ų127.762%0.61870%0.699SS**  trans-123.6109.6-169.3-174.50000113A500A500-V502 HydrophobicContact CB-CG2 4.29Å; A500-V502 PolarHBondContact O-N 3.27Å
503P32.5Very low31.6Very low87 Ų87128 Ų12857%0.56570%0.701SS**  trans-72.9122.8164.3-16.332.2000111.3V505P503-V505 HydrophobicContact CB-CG2 4.01Å; P503-V505 PolarHBondContact O-N 3.34Å; P503-V505 VanDerWaalsContact O-N 3.11Å
504K35.6Very low31.9Very low214 Ų214126.4 Ų126.493%0.9371%0.71SS**  trans-87.274.2179-157.3162.5-170.8166.80110.9
505V32.1Very low31.8Very low119 Ų119124.8 Ų124.872%0.72171%0.707SS**PPolyproline II helixtrans-85.1130.6-173.7178.40000111.8P503P503-V505 HydrophobicContact CB-CG2 4.01Å; P503-V505 PolarHBondContact O-N 3.34Å; P503-V505 VanDerWaalsContact O-N 3.11Å
506R29.6Very low31.2Very low232 Ų232125.6 Ų125.688%0.87572%0.724SS**PPolyproline II helixtrans-93.5139.8163.7-70.7176171.2143.1-6.1109.2
507L27.6Very low30.7Very low168 Ų168121.9 Ų121.988%0.8872%0.723SS**PPolyproline II helixtrans-83.1129.1173.2-132.875.1000110.7
508P31.9Very low30.4Very low117 Ų117127.3 Ų127.376%0.7673%0.733SS**PPolyproline II helixtrans-94.2141.8169.434.3-30.6000112
509K28.2Very low30.2Very low203 Ų203128.8 Ų128.888%0.88375%0.752SS**PPolyproline II helixtrans-86.8159.1163.2-118.8-154.5169.573.80110.2
510P34.9Very low29.7Very low120 Ų120130.8 Ų130.878%0.77976%0.757SS**PPolyproline II helixtrans-87.2158.2-167.535.3-36000114
511A25.4Very low29.4Very low104 Ų104133.4 Ų133.486%0.8677%0.771SS**  trans-133.6142.6160.200000109.1
512A29.2Very low28.9Very low98 Ų98137.5 Ų137.581%0.8180%0.798SS**  trans-92.3151.3177.400000111.4
513S25.7Very low28.8Very low130 Ų130138.6 Ų138.691%0.90981%0.807SS**  trans-161.1155.8162.6-82.50000110.2
514A30.1Very low28.6Very low84 Ų84140.9 Ų140.969%0.69482%0.82SS**  trans-115.6-177.8-172.600000112.7
515N27.8Very low28.3Very low155 Ų155135.3 Ų135.383%0.82981%0.813SS**  trans77.293.2161.6-55.7-17.2000118.8
516S28.5Very low28.1Very low117 Ų117139 Ų13982%0.81882%0.819SS**  23.2121.3117.3169.70000119.7
517A25.7Very low28.8Very low95 Ų95134 Ų13479%0.78582%0.817SS**  -165.1165.612300000112.8
518W25.1Very low28.8Very low249 Ų249133.2 Ų133.294%0.94381%0.814SS**  trans-61.3168.8-179.5-59.3-42000114.4
519S27.7Very low29.8Very low99 Ų99132.3 Ų132.369%0.69281%0.808SS**  cis-166.9155.339.361.30000118.2
520N26.1Very low29.7Very low147 Ų147131 Ų13179%0.78681%0.805SS**  trans53.7121.8142.2-60-2.2000122.9
521S25.5Very low29.3Very low122 Ų122132.5 Ų132.585%0.85381%0.806SS**  -150.2156124510000110.3
522T25.1Very low30.7Very low125 Ų125132.9 Ų132.977%0.76780%0.799SS**  trans-139.3134.2-170.3-47.40000110.9
523P31.1Very low32Very low125 Ų125133.5 Ų133.581%0.81280%0.795SS**  trans-83.2155.6174.633.9-34.1000112.5
524V27Very low32.4Very low136 Ų136132.2 Ų132.282%0.82479%0.786SS**  trans-111.5146-1751710000111.6
525A30.3Very low32.6Very low96 Ų96133.5 Ų133.579%0.79379%0.79SS**  trans-134.1163.6171.100000112
526K27.6Very low32.6Very low196 Ų196137.9 Ų137.985%0.85280%0.795SS**  trans-157.6160.7-178.5-80.8-173.4178.3179.90109.7
527P45Very low32.6Very low129 Ų129136.2 Ų136.284%0.83879%0.789SS**  cis-132.2-170.5-16.534.3-13.2000114.9
528N26.1Very low34.2Very low150 Ų150137.5 Ų137.580%0.80279%0.789SS**  trans-76.3-168.8-177.8-139.821.7000113.4
529P53.9Low35.6Very low98 Ų98131 Ų13164%0.63678%0.779SS**  cis-144.3173.52.843.2-23.7000119.8
530Q25.5Very low37.2Very low175 Ų175131.5 Ų131.582%0.81878%0.779SS**  trans172.9168.5131.2-89.3-75.8-2200112.3
531L26.8Very low37.3Very low153 Ų153131.8 Ų131.880%0.80178%0.78SS**  trans-156.4-166.5-162.6-95.6172.9000111.5
532P54.7Low37.6Very low111 Ų111131 Ų13172%0.72177%0.774SS**  cis-113.5-75.9-19.719.7-5.1000124.2
533P57.7Low37.8Very low111 Ų111130.2 Ų130.272%0.72178%0.781SS**  -135.3168.9-128.940.7-22.8000119.8
534S32.2Very low37.7Very low103 Ų103128.8 Ų128.872%0.7278%0.78SS**  151.3107.4107.8-164.40000119.1
535S35.5Very low38.5Very low112 Ų112128.6 Ų128.678%0.78378%0.781SS**  trans63.6159.5150.9800000120.4
536R28.2Very low38.4Very low246 Ų246129.9 Ų129.993%0.92879%0.785SS**  cis-154.6172.38.2-158.5-179.7177.4-170.3-0111.4
537A28.5Very low38.2Very low83 Ų83124.2 Ų124.269%0.68678%0.781SS**  trans-145.3-168.9177.100000110.7
538P58.5Low38.5Very low122 Ų122123.9 Ų123.979%0.79278%0.779SS**  cis-119.6-123.9-9.831.1-4.7000110.8
539P54.7Low38.6Very low112 Ų112124.2 Ų124.273%0.72778%0.776SS**  cis-138.7-147.2-2.354.4-32.8000113.9
540P60.8Low37.3Very low109 Ų109126.1 Ų126.171%0.70878%0.78SS**  trans-146.7-169.7-137.538.1-9.4000121.1
541L29.4Very low37.3Very low154 Ų154124.8 Ų124.881%0.80678%0.778SS**  trans88.8118.9147.1-67.4-166.6000127.3
542S31Very low37.5Very low104 Ų104122.2 Ų122.273%0.72777%0.773SS**  96134118.3-69.70000127.6
543A29.2Very low36.4Very low109 Ų109122 Ų12290%0.90177%0.774SS**  trans84.916314300000124
544A29.7Very low35Very low95 Ų95121.8 Ų121.879%0.78578%0.775SS**  trans-144161-175.100000112.6
545P42.2Very low34.8Very low133 Ų133124.5 Ų124.586%0.86478%0.782SS**  -149-144.7122.238.3-18.4000115.4
546S30.2Very low34.4Very low123 Ų123124.8 Ų124.886%0.8678%0.783SS**  trans-134.2148.8-142.5-43.90000120.2
547G23.1Very low34.4Very low76 Ų76118.1 Ų118.178%0.78477%0.774SS**  trans90.8172.8151.700000119
548P51.1Low34.5Very low123 Ų123119 Ų11980%0.79978%0.775SS**  cis-143.1-173-17.540.1-19.6000116.9
549Q28.3Very low33.2Very low157 Ų157119 Ų11973%0.73478%0.779SS**  trans88.1126.4156.7-61.7-71.132.500124.8
550L26.4Very low32Very low137 Ų137125 Ų12572%0.71779%0.787SS**  trans55.1147.5142.7-54.3179.2000121.8
551L25.8Very low30.5Very low147 Ų147128.9 Ų128.977%0.7779%0.792SS**  cis-149.61742.8-123.6168.3000112.1
552S30.2Very low30.6Very low100 Ų100130.5 Ų130.570%0.69979%0.793SS**  trans-65.4162.1-164.8-41.70000116.8
553S31.1Very low30.5Very low107 Ų107134.4 Ų134.475%0.74880%0.797SS**  cis-144.5-163.428.2-64.60000111.3
554S29.2Very low30.3Very low105 Ų105138.3 Ų138.373%0.73479%0.794SS**  cis-160.3168.720.2-600000113.8
555N27.5Very low30.3Very low161 Ų161140 Ų14086%0.86179%0.794SS**  trans48.195.5156.6-67.815000121.3
556S27.8Very low29.5Very low117 Ų117136.4 Ų136.482%0.81878%0.781SS**  trans-78.7-162.4164.9-35.10000112.3
557S27.8Very low29.4Very low106 Ų106137.8 Ų137.874%0.74177%0.774SS**  cis-174.5166.53.525.90000109.5
558S29.8Very low29.6Very low101 Ų101142.3 Ų142.371%0.70677%0.768SS**  cis177.3142.6-42.851.60000112.2
559S31.4Very low28.6Very low124 Ų124142.1 Ų142.187%0.86776%0.756SS**  trans79.9-174.5151.486.60000121.5
560R30.1Very low28.7Very low238 Ų238142.7 Ų142.790%0.89876%0.756SS**  trans-116.7161.5-167.7-65.3170.7162.4166.4-8.1112.3
561K30.2Very low28.6Very low189 Ų189141 Ų14182%0.82276%0.761SS**  trans96.1117.3134.9-140.7180-172.7-1790120.5
562K30Very low28.6Very low188 Ų188140.2 Ų140.282%0.81776%0.763SS**  trans63.8120.3143-90.9-171.1173.3-178.70123.5
563K28.7Very low29.4Very low187 Ų187140.9 Ų140.981%0.81377%0.765SS**  100.1104114.9-168-174.2175.7-169.80121.4
564K26.3Very low30Very low191 Ų191140.7 Ų140.783%0.8376%0.761SS**  trans73.4147.2137.7-161.7167.2-178.8178.50120
565V28.6Very low29.9Very low129 Ų129140.2 Ų140.278%0.78276%0.758SS**  trans-115.1154.2-171.2172.70000111.8
566G25.8Very low29.8Very low59 Ų59139.7 Ų139.761%0.60875%0.754SS**  trans-134.7132.4145.900000107.7
567E29.2Very low29.8Very low151 Ų151139.2 Ų139.271%0.70675%0.751SS**  72.4122.593.9-73.5-118.8117.700111.7
568R27.2Very low29.7Very low172 Ų172140.4 Ų140.465%0.64975%0.749SS**  cis-157.6175.715.1-87.6160.7-177.3-81.9-12.8107.7
569E29.2Very low29.7Very low118 Ų118143.9 Ų143.955%0.55176%0.76SS**  cis-171.3167.8-13.1-102.8177.9107.800104.9
570K29.8Very low29.8Very low170 Ų170145 Ų14574%0.73976%0.756SS**  cis170.2123.9-9.7163.1177.5167.2-168.70110.5
571A24.2Very low29.8Very low100 Ų100141.1 Ų141.183%0.82675%0.753SS**  trans-161.2161.3166.300000112.5
572T26.5Very low29.6Very low132 Ų132134.8 Ų134.881%0.8174%0.741SS**  trans-153.9-178.3-169.89.10000108.5
573P46.3Very low29.5Very low114 Ų114129.8 Ų129.874%0.7474%0.743SS**  cis-126.3-117.4-11.524.82.3000114.5
574P45.3Very low29.4Very low103 Ų103125.1 Ų125.167%0.66975%0.748SS**  -134-178.3-107.142.4-23.9000119.2
575S25.5Very low29.4Very low95 Ų95119.4 Ų119.466%0.66474%0.743SS**  trans78.9136134.8640000125.8
576L26.5Very low29.4Very low149 Ų149122.3 Ų122.378%0.7875%0.751SS**  trans87163.7138.2-76.3164.8000123.1
577S27Very low29.6Very low107 Ų107126.3 Ų126.375%0.74876%0.764SS**  trans73.1117.7-164.461.90000114.5
578D27Very low29.5Very low131 Ų131128.4 Ų128.470%0.70177%0.773SS**  cis77.4106.530.7-50.6-73.1000114.1
579D29.5Very low29.6Very low174 Ų174129.2 Ų129.293%0.9379%0.785SS**  -178.9176.3105-106.7-50.8000113.2
580D32.4Very low29.6Very low149 Ų149131 Ų13180%0.79779%0.793SS**  trans-87.9150.1-159.5-170.5-112.7000118.3
581D30.1Very low29.8Very low155 Ų155130.9 Ų130.983%0.82979%0.793SS**  trans-178.5155.2134.1-176.1-127.3000112.1
582G27.2Very low29.8Very low56 Ų56132.7 Ų132.758%0.57780%0.798SS**  110.225.4127.400000124
583G26.8Very low29.9Very low83 Ų83131.4 Ų131.486%0.85679%0.794SS**  trans68.6-169.7151.600000120.7
584G26.4Very low29.3Very low89 Ų89131.8 Ų131.892%0.91879%0.794SS**  trans81.4172.3-16500000112.8
585G26Very low28.7Very low71 Ų71133 Ų13373%0.73280%0.802SS**  cis-176.8149.2-4.500000109
586M29.5Very low28.9Very low191 Ų191134.1 Ų134.194%0.94181%0.805SS**  trans-57.2136.4-168.8-61.7-173.369.700114.4
587T29.8Very low29.2Very low142 Ų142134.9 Ų134.987%0.87181%0.807SS**  trans-73.3140.8162.343.50000110.9
588Q28Very low29.6Very low195 Ų195137.4 Ų137.491%0.91181%0.811SS**  trans-125.1124.1176.7174.8-172.8-3.500108.1
589E29.2Very low29.6Very low190 Ų190138.1 Ų138.189%0.88881%0.814SS**  trans-150.7112.8173.2-166.1171.5-170.100111.1
590E29.7Very low29.7Very low156 Ų156137.5 Ų137.573%0.72981%0.81SS**  trans-147.9155.1159.2-80.2-157.311700109.9
591F31.9Very low29.5Very low167 Ų167135.7 Ų135.773%0.73281%0.809SS**  trans68107.6167.5-53.3-64.5000119.8
592C26.3Very low29.3Very low137 Ų137133.4 Ų133.493%0.92681%0.805SS**  -140.6158.6113.9-98.80000110.9
593S28.2Very low29.4Very low105 Ų105137.7 Ų137.773%0.73481%0.814SS**  trans-103.9147.9-171.8-55.20000113.8
594V32.8Very low29.3Very low122 Ų122139.7 Ų139.774%0.73980%0.804SS**  trans7.3128.8152.2-171.90000118.4
595P33Very low29.4Very low129 Ų129142.7 Ų142.784%0.83881%0.805SS**  trans-112.2156.2139.436-29.7000112.6
596T30.3Very low29.5Very low118 Ų118145.5 Ų145.572%0.72480%0.802SS**  trans-119.1135.4-170.7-56.70000111
597M32.2Very low29.3Very low166 Ų166144.2 Ų144.282%0.81880%0.799SS**  trans45.6132.7158.3-64.7-79.3-7200120.2
598L34.4Very low29.1Very low159 Ų159141.1 Ų141.183%0.83280%0.795SS**  -175.2169.4122.6-103.4166.7000114.2
599D28.3Very low29Very low146 Ų146135.9 Ų135.978%0.78179%0.785SS**  trans-68161.8-169.6-71.8-74000117.6
600I30.8Very low28.8Very low162 Ų162133.8 Ų133.883%0.83178%0.78SS**  trans-103.1134.2167.2-61.1172.3000109.7
601S28.1Very low28.6Very low111 Ų111133.6 Ų133.678%0.77678%0.784SS**  trans-159.1119.6155.3-89.70000113.5
602S27.4Very low28.2Very low107 Ų107134.9 Ų134.975%0.74879%0.789SS**  trans67.1147.2155.8-67.50000120
603L28.5Very low28.9Very low146 Ų146134.1 Ų134.176%0.76478%0.783SS**  cis-170.3165.5-30.7-123.3175.4000109
604L24.3Very low28.6Very low125 Ų125133.5 Ų133.565%0.65478%0.778SS**  trans63.4107.5162.1-61.8172.2000119.9I606L604-I606 HydrophobicContact CD2-CD1 4.06Å; L604-I606 HydrophobicContact CD2-CG1 4.4Å
605T28.7Very low28.2Very low152 Ų152134.1 Ų134.193%0.93378%0.782SS**  -149.2161.1107.2-5.60000109.9
606I27.6Very low27.8Very low130 Ų130133.7 Ų133.767%0.66778%0.778SS**  trans-126.6139.9-158.3-66.3169.6000112.2L604L604-I606 HydrophobicContact CD2-CD1 4.06Å; L604-I606 HydrophobicContact CD2-CG1 4.4Å
607N25.6Very low28Very low164 Ų164133.6 Ų133.688%0.87778%0.779SS**  trans175.5138142.4-84.2-21.7000106.7
608G25.4Very low27.8Very low76 Ų76131 Ų13178%0.78478%0.777SS**  cis115.2126.91100000110.3
609A26.3Very low27.5Very low86 Ų86129.2 Ų129.271%0.71178%0.778SS**  cis-166.3165.7-4.600000111.3
610N24.3Very low27.2Very low145 Ų145126.6 Ų126.678%0.77578%0.777SS**  trans59.6152151-67-1.7000119.9
611N25.8Very low27.1Very low153 Ų153126.6 Ų126.682%0.81878%0.778SS**  cis-147.6170.129.5-99.8-44.9000114.7
612K24.1Very low27.9Very low194 Ų194127.2 Ų127.284%0.84378%0.779SS**  trans-124.8-177.7162.9-106-174.6-179.1-179.40108.1
613P40.2Very low29.1Very low121 Ų121127.7 Ų127.779%0.78678%0.78SS**  cis-118-123.18.721.26.9000112.7
614S23.4Very low29.8Very low91 Ų91126.1 Ų126.164%0.63678%0.779SS**  cis-167.7143.33.361.90000116.8
615T23.1Very low29.9Very low136 Ų136127.2 Ų127.283%0.83479%0.785SS**  trans73.6143.9148.4-16.20000123.1
616T24.8Very low29.8Very low120 Ų120126.5 Ų126.574%0.73678%0.775SS**  trans-117.8164.6173.5550000110.9
617P35.6Very low29.6Very low115 Ų115127.2 Ų127.275%0.74778%0.78SS**  -138.2164.389.213.911.2000113.5
618S27.4Very low29.7Very low113 Ų113127.1 Ų127.179%0.7978%0.779SS**  68.8144.361.3-36.40000113.9
619S26.9Very low30.2Very low120 Ų120128.7 Ų128.784%0.83978%0.775SS**  cis-167.116210.3-166.70000112.3
620A23.1Very low30Very low92 Ų92133.9 Ų133.976%0.7678%0.782SS**  trans-171.9146150.500000114.5
621N29.1Very low30Very low162 Ų162131.8 Ų131.887%0.86678%0.779SS**  trans-158.5153.8170.9-91.2-37.6000109.1
622P43.8Very low29.9Very low123 Ų123134 Ų13480%0.79978%0.781SS**  -155171.9105.437.4-17.2000117.7
623P53.6Low29.8Very low117 Ų117130 Ų13076%0.7678%0.784SS**  trans-110-172.5-177.844.5-36.1000114.3
624P43.7Very low29Very low113 Ų113127.3 Ų127.373%0.73478%0.778SS**  -161.6158.388.742.8-21.7000121.3
625N25.5Very low29.2Very low149 Ų149132.3 Ų132.380%0.79779%0.789SS**  trans69.4134.5136.2-78.6-18.3000129.2
626L27.3Very low29.3Very low137 Ų137134.2 Ų134.272%0.71779%0.785SS**  trans95.2128.4133.5-104.167.2000126.3
627D23.4Very low29.4Very low145 Ų145136.1 Ų136.178%0.77578%0.783SS**  trans79.5144.9143.3-71.5-25.9000127.5
628L27.7Very low28.9Very low161 Ų161138.2 Ų138.284%0.84378%0.781SS**  trans-97.3164.6168.3-8995.4000109.6
629P34.8Very low29Very low109 Ų109139 Ų13971%0.70877%0.772SS**  -163.8-173.852.546.4-22.8000120.1
630F23Very low28.9Very low196 Ų196141.4 Ų141.486%0.8677%0.767SS**  trans34.4135.1143.7-96.2-90000124.5
631S24.4Very low29.1Very low101 Ų101141.8 Ų141.871%0.70676%0.757SS**  trans121.4112.6131.6-65.80000121.8
632K22.2Very low29Very low199 Ų199138.3 Ų138.387%0.86575%0.745SS**  trans26.4130131.6-70.3176177.1168.90122.9
633A22.7Very low28.1Very low109 Ų109137 Ų13790%0.90175%0.745SS**  trans72.5150.4142.100000118.8
634G24.4Very low26.8Very low65 Ų65135.4 Ų135.467%0.6774%0.741SS**  cis146.3-178.2-4.500000112.7
635K25.9Very low26Very low197 Ų197135.8 Ų135.886%0.85775%0.747SS**  trans70.7155.8179.7-70.7158.9-176.7164.80113.2
636K26.7Very low26.2Very low175 Ų175133.6 Ų133.676%0.76174%0.743SS**  cis-160.5175.310.8-121.7163.2-172.7172.10106.7
637K26.3Very low26.2Very low160 Ų160131.5 Ų131.570%0.69675%0.746SS**  cis-168.9153.218.9-147.6-171.5-174.9174.10111.5
638K24.6Very low26.4Very low159 Ų159129.6 Ų129.669%0.69174%0.744SS**  trans60151.8149.4-89.4-171.6174.3-1230119.5
639Q29.2Very low26.1Very low129 Ų129126.5 Ų126.560%0.60374%0.741SS**  cis-151.9-148.3-22.5-140-177-56.300106.8N641Q639-N641 PolarHBondContact NE2-OD1 2.93Å
640K26.2Very low26.5Very low172 Ų172127 Ų12775%0.74874%0.744SS**  cis-151.3127.68.4173.8-100.5164.5-160.90110.5
641N27.5Very low26.6Very low100 Ų100122.4 Ų122.454%0.53574%0.742SS.*  trans8.5154.1146-69.557.2000122.5Q639Q639-N641 PolarHBondContact NE2-OD1 2.93Å
642S26.1Very low26.7Very low89 Ų89125.4 Ų125.462%0.62275%0.749SS**  cis174.9155.8-6.5500000112.8
643A24.8Very low27Very low96 Ų96120.7 Ų120.779%0.79374%0.741SS**  trans69.7155.2142.300000120.8
644A27Very low27.1Very low83 Ų83122 Ų12269%0.68673%0.733SS**  cis-174.6156.8-26.500000111.8
645S27.2Very low27.2Very low121 Ų121124.5 Ų124.585%0.84674%0.735SS**  trans69.8154150.7-690000119.3
646S28.4Very low27.2Very low102 Ų102120.1 Ų120.171%0.71374%0.736SS**  cis-173.5149.5-9.245.50000113.8
647A28Very low27.2Very low94 Ų94116.2 Ų116.278%0.77774%0.736SS**  trans61.6157.7139.800000121.6
648S26.8Very low27.7Very low105 Ų105114.1 Ų114.173%0.73474%0.739SS**  cis-176.5136.6-25.755.80000113.5
649A22.6Very low27.8Very low96 Ų96112.3 Ų112.379%0.79374%0.741SS**  trans61.6-179.8153.600000117.7
650P42.1Very low27.7Very low119 Ų119113.7 Ų113.777%0.77375%0.752SS**  cis-139.1171.6-2.844.1-27.1000118.4
651A25.4Very low27.6Very low99 Ų99109.3 Ų109.382%0.81875%0.748SS**  trans68.4153.9140.700000124.6
652I26.8Very low27.5Very low164 Ų164112 Ų11284%0.84176%0.761SS**  trans-108.5175.5179.362.6179.5000109.3
653S28.8Very low27.3Very low100 Ų100112.9 Ų112.970%0.69977%0.767SS**  cis-162.7-166.817.847.90000107.5
654D25Very low27.3Very low137 Ų137113.7 Ų113.773%0.73376%0.762SS**  cis-163.3-174.27-156.5-0.6000111.7
655T26.5Very low27.1Very low117 Ų117117.6 Ų117.672%0.71877%0.766SS**  trans78.4115.8153.6400000123.4
656A24.9Very low27Very low106 Ų106117.6 Ų117.688%0.87676%0.761SS**  trans82.7148.8132.800000123.2
657A27.3Very low26.9Very low93 Ų93117.5 Ų117.577%0.76977%0.766SS**  trans-84178.8-169.700000113.6
658P36.5Very low27Very low115 Ų115117 Ų11775%0.74776%0.762SS**  cis-151.215838.343.3-21.6000121.4
659V26.7Very low27.2Very low122 Ų122120 Ų12074%0.73977%0.765SS**  trans40.1124.8130.3-172.70000123
660N27.6Very low27.4Very low157 Ų157122.6 Ų122.684%0.8476%0.758SS**  trans90.8132.1146.5-83-4.8000125.2
661A23.7Very low26.6Very low80 Ų80123.4 Ų123.466%0.66175%0.752SS**  99.2111.7129.800000124.5
662I25.4Very low26.6Very low156 Ų156125.2 Ų125.280%0.875%0.747SS**  73.1129.2121.1-63.2169.3000121.9
663S22.4Very low26.8Very low108 Ų108123.4 Ų123.476%0.75574%0.744SS**  trans64.7172.7155.1-74.40000120.2
664V24.3Very low27.3Very low114 Ų114124 Ų12469%0.69175%0.745SS**  -176.6146.1-52.2133.60000108
665E22.4Very low27.4Very low165 Ų165126.3 Ų126.377%0.77175%0.752SS**  trans69.4129.8163.1-87.8178.3115.800124.7
666T24.7Very low27.4Very low121 Ų121130.3 Ų130.374%0.74276%0.759SS**  trans79127.5139.652.10000125
667A26.7Very low27.5Very low99 Ų99131.3 Ų131.382%0.81876%0.755SS**  trans74.4146.3136.900000121
668A30.9Very low27.2Very low83 Ų83138.2 Ų138.269%0.68676%0.761SS**  cis-169.8173.4-1900000111.5
669Q29.5Very low26.6Very low168 Ų168136.9 Ų136.979%0.78575%0.754SS**  trans78.3145.5166.5-43.9-168.333.900115.9
670K26.9Very low26.6Very low151 Ų151140.3 Ų140.366%0.65776%0.759SS**  cis-159.31452.4-139.2167177-90.50111.7
671E26.6Very low26.3Very low137 Ų137137.8 Ų137.864%0.6475%0.754SS**  trans57148.9156.8-80.9169.577.900120.1
672N25.3Very low26.4Very low136 Ų136141.2 Ų141.273%0.72776%0.76SS**  cis-136.9-174.48.6-122.1-54.5000112.5
673V30.7Very low26.5Very low127 Ų127138.5 Ų138.577%0.7776%0.755SS**  trans-140.6171.5-155.394.90000111.9
674P38.7Very low26.7Very low111 Ų111139 Ų13972%0.72176%0.759SS**  cis-134.7-179.9-9.742.1-25.2000116.4
675E28.7Very low26.8Very low187 Ų187137.6 Ų137.687%0.87476%0.759SS**  trans-95.8178.3158.6-50.4171.810400112.2
676K25.5Very low27Very low201 Ų201135.6 Ų135.687%0.87476%0.758SS**  trans-159.5131.5138.5-131.7167.2-173.11710117.3
677T27.3Very low27Very low127 Ų127136.1 Ų136.178%0.77976%0.761SS**  trans-136.3150.1153.858.20000108.7
678W20.6Very low27Very low237 Ų237135 Ų13590%0.89875%0.751SS**  trans-166.8169.5160.5-150.3-97.4000112.9
679S24Very low26.7Very low87 Ų87137.5 Ų137.561%0.60876%0.758SS**  trans-148.3146.2173.467.40000114.1
680K26.5Very low26.8Very low195 Ų195133.9 Ų133.985%0.84875%0.752SS**  trans65.4153.1176.4-52.4174.3-179173.80114.2
681S22.4Very low26.8Very low103 Ų103134.5 Ų134.572%0.7276%0.759SS**  cis-161.4167.514.5-150.70000113.2
682L26.2Very low26.9Very low152 Ų152132.9 Ų132.980%0.79676%0.763SS**  trans58.2104.3153.1-71.7162.2000123.5
683S27Very low26.9Very low99 Ų99130.2 Ų130.269%0.69276%0.759SS**  69127120.1-56.40000125.8
684S26.2Very low26.7Very low120 Ų120130 Ų13084%0.83976%0.763SS**  trans68.2134.1145.9-60.20000120.7
685A26.5Very low26Very low84 Ų84128.1 Ų128.169%0.69476%0.764SS**  cis173.7-176.7-1.500000108.4
686V26.3Very low26.6Very low123 Ų123124.7 Ų124.775%0.74576%0.758SS**  trans87.6110.4153.9-153.80000120.4
687T25.3Very low26.7Very low132 Ų132120.9 Ų120.981%0.8175%0.752SS**  trans65.1150.5150.5560000122
688A26.1Very low26.6Very low74 Ų74122.3 Ų122.361%0.61276%0.755SS**  cis-171.6-179.6-17.600000112.4
689T25.3Very low27Very low136 Ų136114.7 Ų114.783%0.83474%0.742SS**  trans71135.3158.8390000118.2
690S31Very low27Very low92 Ų92116.6 Ų116.664%0.64375%0.75SS**  cis-169.1178.1-2.3390000114
691M27.5Very low26.8Very low164 Ų164112.5 Ų112.581%0.80875%0.746SS**  trans86.2148.6178.8-52.4-70.492.200114.1
692S27.8Very low27Very low103 Ų103112.1 Ų112.172%0.7275%0.749SS**  cis-172.4159.1-20.1-97.20000108.6
693A25.4Very low27.1Very low80 Ų80110.9 Ų110.966%0.66175%0.748SS**  cis-157.8158.7-1500000109.2
694S25.6Very low26.9Very low122 Ų122111.2 Ų111.285%0.85375%0.749SS**  trans37.9131.1158.954.30000120.7
695G25.6Very low27Very low72 Ų72115.1 Ų115.174%0.74275%0.746SS**  cis109.4164.223.500000111.2
696P41.5Very low26.9Very low115 Ų115116 Ų11675%0.74774%0.739SS**  cis-143.1-164.1-3.943-21.8000115.8
697T27.1Very low27.1Very low121 Ų121114.7 Ų114.774%0.74274%0.735SS**  trans62.5113.5153.250.30000124.4
698D25.7Very low28.2Very low158 Ų158113.7 Ų113.785%0.84573%0.731SS**  56.6143.9117.8-95.2-55.8000127.7
699A27.7Very low28.5Very low76 Ų76120.1 Ų120.163%0.62874%0.739SS**  trans66.2128.8144.600000125.2
700T23.5Very low28.7Very low127 Ų127119.3 Ų119.378%0.77973%0.734SS**  trans61.6101.9141.249.90000123.5
701S22.5Very low28.8Very low109 Ų109120.5 Ų120.576%0.76273%0.732SS**  55.7117.7126.663.50000124.3
702A27.2Very low28.7Very low95 Ų95118.4 Ų118.479%0.78573%0.728SS**  trans70160.3148.200000117
703V27.9Very low29.5Very low127 Ų127119 Ų11977%0.7773%0.73SS**  cis-161.2134.143.5153.40000112.3
704C23.6Very low30.8Very low106 Ų106120.6 Ų120.672%0.71673%0.734SS**  trans61.8166.5151.1-73.50000120.8
705R27.9Very low30.9Very low202 Ų202121.4 Ų121.476%0.76273%0.733SS**  cis-158.6170.3-3.6-119.3168-172.9-120.912.6109.2
706D25.6Very low31.2Very low103 Ų103123.8 Ų123.855%0.55173%0.733SS**  cis-149.1155.40.8-131.2-27.4000105.2
707S28.8Very low30.8Very low95 Ų95124.6 Ų124.666%0.66474%0.735SS**  cis69.6148.920.3-69.30000116.4
708P49.1Very low31.2Very low111 Ų111125 Ų12572%0.72174%0.74SS**  cis-72.7-156.6-16.139.4-39.3000110.1
709R32.9Very low31.1Very low208 Ų208121.7 Ų121.779%0.78573%0.734SS**  cis-149.1166.67.9-131.9176.1179153.9-1.1105.1I711R709-I711 HydrophobicContact CG-CD1 4.19Å
710V28.1Very low31.8Very low119 Ų119123.3 Ų123.372%0.72174%0.739SS**  cis-140.1150.416.8-113.90000107.4
711I33.5Very low31.9Very low117 Ų117125.4 Ų125.460%0.674%0.74SS**  cis74.2110.124.8-61.3171.5000112.4R709R709-I711 HydrophobicContact CG-CD1 4.19Å
712T26Very low32.8Very low120 Ų120124.6 Ų124.674%0.73673%0.732SS**  cis-175.6165.65.221.50000109
713P43.4Very low32.7Very low116 Ų116128.6 Ų128.675%0.75373%0.734SS**  cis-138.8-136.1-2846.1-25.1000111.8
714P53.7Low32.7Very low114 Ų114130.7 Ų130.774%0.7474%0.736SS**  trans-135.3-162.3-140.837.7-10.3000115.8
715V27.1Very low32.8Very low138 Ų138131.8 Ų131.884%0.83673%0.73SS**  trans167.6168.1137.4153.30000111.1
716V33.6Very low32.7Very low123 Ų123131 Ų13175%0.74573%0.733SS**  trans-131.7132.3-167.6173.10000112
717V32.3Very low33.3Very low132 Ų132131 Ų13180%0.874%0.739SS**  trans51.6121.4159.6175.30000119
718P34.8Very low33.4Very low128 Ų128130.6 Ų130.683%0.83174%0.741SS**  -145.5-162.6112.340.4-24.6000115.3
719A24.5Very low32.5Very low89 Ų89132.5 Ų132.574%0.73674%0.744SS**  trans-85.9172.8-171.800000114.6
720P41.5Very low32.2Very low111 Ų111130.1 Ų130.172%0.72174%0.744SS**  trans-90.3-176.3-179.337.8-36.4000114.7
721E25.7Very low32.4Very low171 Ų171129.6 Ų129.680%0.79974%0.741SS**  trans79.8142.5-174.6-52-56.2142.700115.4
722P42Very low32.3Very low92 Ų92132.6 Ų132.660%0.59775%0.75SS**  cis-141.2-171.8-22.441.2-22.8000115
723E25.2Very low32.7Very low179 Ų179136.3 Ų136.384%0.83676%0.756SS**  trans62.6157155.8-72.2163.3-46.500120.2
724E27.4Very low33Very low171 Ų171136.6 Ų136.680%0.79976%0.758SS**  cis-108.4-121.5-10.1-153.6-160.6109.800110.4
725E26.6Very low32.4Very low128 Ų128137 Ų13760%0.59876%0.76SS**  cis-147153.4-7.7-174.7-90.4-7.800108.4
726F24.8Very low33.4Very low185 Ų185136.3 Ų136.381%0.81176%0.759SS**  trans-153.2141.9158.8-115.2-87.1000111.7
727P37.4Very low33.3Very low105 Ų105134 Ų13468%0.68276%0.759SS**  trans-71.1148.4-172.7-22.434.6000115.8
728A31.9Very low33.3Very low85 Ų85135.7 Ų135.770%0.70276%0.756SS**  trans-111.4-175.7178.900000113.8
729L29.6Very low33.4Very low152 Ų152136.9 Ų136.980%0.79675%0.748SS**  trans83.5136.2168.9-47178.5000117
730M27Very low33.8Very low157 Ų157138.7 Ų138.777%0.77375%0.75SS**  cis-159.3156.9-24.4-84-157.1157.400108
731T32Very low33.1Very low109 Ų109138.5 Ų138.567%0.66975%0.752SS**  169.9165.177.451.60000111.8
732K32.1Very low33.6Very low179 Ų179139.6 Ų139.678%0.77875%0.754SS**  trans92.1104.9153.7-63.7168-165.91730123
733K33.5Very low33.7Very low199 Ų199141.1 Ų141.187%0.86576%0.764SS**  69.2127.1127.9-61.1-174.3177.3-172.90123.1
734P50.8Low34.7Very low122 Ų122138.5 Ų138.579%0.79276%0.76SS**  trans-101168.5160.340-33.7000113.4
735P41.2Very low34.6Very low122 Ų122140 Ų14079%0.79276%0.764SS**  -152.6-166.3107.741.6-21.6000113.9
736P47.4Very low34.9Very low124 Ų124139.8 Ų139.881%0.80577%0.772SS**  -137.8156.3-70.441.6-25.3000117.7
737G31.7Very low35Very low74 Ų74137.5 Ų137.576%0.76377%0.773SS**  trans84.2148.2141.200000119.7
738F32.6Very low34.7Very low167 Ų167136.6 Ų136.673%0.73277%0.774SS**  cis-138.4133.13.3-115-140000108.9
739K36.1Very low35.7Very low154 Ų154138.3 Ų138.367%0.6778%0.778SS**  60.2137.2107.3-59.3-169.3-164.6172.30116.5
740T33.1Very low35.6Very low126 Ų126136.5 Ų136.577%0.77378%0.778SS**  cis-172.5163.1-2.3190000107.2
741S26.6Very low36.7Very low108 Ų108134.7 Ų134.776%0.75578%0.778SS**  cis-165.8166.4-4.341.70000111.1
742F36.6Very low38.2Very low193 Ų193135 Ų13585%0.84678%0.782SS**  trans-93.6177.6170.8-82.4-70.6000110.9
743P43.8Very low39.3Very low125 Ų125131.7 Ų131.781%0.81278%0.779SS**  cis-149.1-175.233.544.3-21.9000120.2
744V45.4Very low39.1Very low124 Ų124128.9 Ų128.975%0.75278%0.778SS**  trans-99.6154.6-178.9176.70000111.4
745K27.1Very low38.2Very low203 Ų203131.2 Ų131.288%0.88378%0.781SS**  trans-151.7157.4150.5-151158.8-174.8175.30114.7
746T31.5Very low39Very low123 Ų123130.6 Ų130.676%0.75578%0.777SS**  trans-106.9-178.4-168.9-29.10000112.8
747T26.9Very low39Very low136 Ų136130.1 Ų130.183%0.83477%0.774SS**  trans112.3151154.3-45.70000116.7
748A32.8Very low39.7Very low86 Ų86132.7 Ų132.771%0.71178%0.777SS**  trans-161.5-171.6-17600000108.9
749P51.4Low39.6Very low122 Ų122127.8 Ų127.879%0.79277%0.773SS**  cis-137.9-1231.642.5-19.6000113.4
750S28.5Very low39.4Very low113 Ų113129.5 Ų129.579%0.7979%0.788SS**  trans92.6151.4173.675.10000119
751P50.1Low39.2Very low119 Ų119126.4 Ų126.477%0.77378%0.782SS**  trans-133.1-154.7-154.541.3-21.2000115.3
752P63.3Low39.3Very low116 Ų116127.6 Ų127.675%0.75379%0.79SS**  -112.9-121.7-54.729.6-6.5000110.5
753P54Low39Very low109 Ų109124.2 Ų124.271%0.70879%0.791SS**  cis-133.6-154.1-36.733-8.7000115.3
754V30.9Very low38.3Very low140 Ų140122.6 Ų122.685%0.84879%0.787SS**  trans97.9150.6162.2-166.60000119.2
755M30.9Very low37.7Very low172 Ų172123.8 Ų123.885%0.84780%0.795SS**  trans-138-146.2-160.7-54.8171.951.500116.8
756P58.4Low37.9Very low109 Ų109123.9 Ų123.971%0.70880%0.796SS**  trans-116.7-147.7-138.238.9-13.1000113
757P47.8Very low38.1Very low114 Ų114123.6 Ų123.674%0.7480%0.796SS**  cis-125.2-141.6-8.142.4-20.3000111.6
758P47Very low38.4Very low128 Ų128122.8 Ų122.883%0.83179%0.793SS**  cis-124.4-142.8-14.346.8-27.9000112
759G29.5Very low38.4Very low63 Ų63125.1 Ų125.165%0.64980%0.801SS**  cis167.6153.5-5.900000115.4
760L31.6Very low37.4Very low190 Ų190122.8 Ų122.8100%0.99580%0.799SS**  trans61.3138.9169.2-59.7169.8000119.4
761G28.8Very low37.5Very low62 Ų62127 Ų12764%0.63980%0.804SS**  cis171.3151.8-12.900000114.9
762S29.1Very low36.7Very low132 Ų132127.8 Ų127.892%0.92381%0.806SS**  trans64154.3170.5300000119.5
763S30.4Very low35.2Very low123 Ų123125.4 Ų125.486%0.8680%0.803SS**  cis-152.5173.8-0.458.10000113.7
764A29.7Very low34.3Very low90 Ų90128.1 Ų128.174%0.74481%0.81SS**  trans-69.3158.3-159.500000121.9
765T31.2Very low34.4Very low149 Ų149127.2 Ų127.291%0.91481%0.806SS**  trans-162.9170132.410.10000111.8
766K32.5Very low34.3Very low206 Ų206126.7 Ų126.790%0.89681%0.806SS**  trans-104.7144.3-163.6-56.7176-177175.90115.2
767P36Very low32.9Very low117 Ų117128.1 Ų128.176%0.7681%0.808SS**PPolyproline II helixtrans-99.8162.9159.437.6-31.9000113.4
768P31.9Very low32Very low119 Ų119126.5 Ų126.577%0.77380%0.8SS**PPolyproline II helixtrans-82159.8173.933.7-34.9000113.6
769P34.3Very low31.2Very low134 Ų134127.9 Ų127.987%0.8780%0.8SS**PPolyproline II helixtrans-90.9159.8-169.436.3-36.6000114.6
770G28.9Very low31.2Very low74 Ų74131.7 Ų131.776%0.76381%0.81SS**  trans-175-19.7173.600000121.4
771F31.2Very low31.3Very low202 Ų202128.9 Ų128.989%0.88680%0.801SS**  trans-158.7172-179.4-141.2-107000114.6
772T33.5Very low31.2Very low134 Ų134134.7 Ų134.782%0.82281%0.811SS**  trans68.9153.4-167.973.80000113.3
773G31.8Very low31.3Very low66 Ų66133.9 Ų133.968%0.6880%0.803SS**  cis12114213.100000110.2
774I34.5Very low31.2Very low167 Ų167132.8 Ų132.886%0.85680%0.801SS**  cis-143.7-59.15.7-48.7176.6000115.7
775P32.7Very low31Very low120 Ų120135.6 Ų135.678%0.77981%0.809SS**  trans-126.2-178.9-143.636-17.5000119.5
776L28.8Very low30.9Very low161 Ų161133.9 Ų133.984%0.84380%0.803SS**  trans-57.4162.4173.3-57.7164.1000113.8
777N28.7Very low30.5Very low140 Ų140131.7 Ų131.775%0.74980%0.8SS**  cis-158.2155.229.4-162.711.2000115.2
778S30Very low30.3Very low80 Ų80131.9 Ų131.956%0.55980%0.801SS**  trans31.4107.9157.965.60000122.5
779N30.4Very low30.2Very low156 Ų156134.2 Ų134.283%0.83480%0.802SS**  173168.799.1-98-38.7000113.6
780V28.6Very low29.9Very low144 Ų144138 Ų13887%0.87381%0.805SS**  trans79.3148.9-179.4-170.50000114.6
781V35.3Very low29.9Very low130 Ų130141.1 Ų141.179%0.78880%0.801SS**  trans-125.6134-166.8170.10000110.1
782E25.8Very low30Very low185 Ų185136.9 Ų136.986%0.86479%0.794SS**  trans-171.1166.4138-103.8-155.1117.100111
783P31.7Very low30.2Very low115 Ų115137.2 Ų137.275%0.74780%0.796SS**PPolyproline II helixtrans-92152.1-151.334.8-37.4000116.6
784A26.8Very low30.8Very low100 Ų100138.7 Ų138.783%0.82679%0.788SS**PPolyproline II helixtrans-94.6142177.600000113.5
785V27.2Very low31.9Very low149 Ų149133.2 Ų133.290%0.90377%0.773SS**PPolyproline II helixtrans-80.5130.2170.4178.20000109.7
786S28.3Very low33.8Very low112 Ų112129.3 Ų129.378%0.78374%0.743SS**PPolyproline II helixtrans-102130.1-178.848.20000113.1
787L25.2Very low35.8Very low161 Ų161124 Ų12484%0.84372%0.716SS**PPolyproline II helixtrans-84.8140.8173.2-161.468.4000109.4Q789L787-Q789 PolarHBondContact O-N 2.92Å
788P31.2Very low38Very low121 Ų121122 Ų12279%0.78671%0.708SS**PPolyproline II helixtrans-66.7133.3-168.523.5-34.6000114.2
789Q29.6Very low40Very low168 Ų168118.7 Ų118.779%0.78569%0.685SS**PPolyproline II helixtrans-85.6145.1171.4-62.6-178.7-57.900110.9L787L787-Q789 PolarHBondContact O-N 2.92Å
790K27.8Very low41.6Very low214 Ų214118.2 Ų118.293%0.9368%0.682SS**PPolyproline II helixtrans-65.8130.7167.3-86.6-175.9172-1790109.9
791M28.9Very low43.6Very low139 Ų139116 Ų11669%0.68567%0.666SS**PPolyproline II helixtrans-93.3152.1176.6-76.1-169.9162.500113
792P33.2Very low45.7Very low112 Ų112110.9 Ų110.973%0.72763%0.632SS**PPolyproline II helixtrans-73.3151.8166.832.9-34.9000111.3N794P792-N794 PolarHBondContact O-N 3.37Å
793T37.5Very low47.9Very low142 Ų142109.6 Ų109.687%0.87163%0.626SS**  trans-99.771.8-171.8-42.90000112.2
794N44.7Very low50.2Low96 Ų96110.5 Ų110.551%0.51362%0.621SS.*PPolyproline II helixtrans-76.8139.2166.3-76.344.6000109.9P792P792-N794 PolarHBondContact O-N 3.37Å
795G56.6Low52.8Low53 Ų53107.2 Ų107.255%0.54659%0.587SS.*PPolyproline II helixtrans-75.7161.8-174.200000114.4L797G795-L797 PolarHBondContact O-N 3.03Å
796Y72.7Confident55.4Low37 Ų37101.4 Ų101.415%0.14555%0.551CS.*PPolyproline II helixtrans-62.2122.9168.3174.8-94.5000110.1V798 V865 L867 P868 T870 Q928Y796-V798 HydrophobicContact CD1-CG2 4.04Å; Y796-V798 HydrophobicContact CE1-CB 4.42Å; Y796-V798 HydrophobicContact CE1-CG2 4.01Å; Y796-V865 PolarHBondContact OH-O 3.31Å; Y796-L867 WeakPolarHBondContact CE2-O 3.33Å; Y796-P868 HydrophobicContact CD1-CB 4.25Å; Y796-P868 HydrophobicContact CE1-CB 4.28Å; Y796-T870 HydrophobicContact CD2-CG2 4.14Å; Y796-Q928 HydrophobicContact CD2-CG 4.22Å; Y796-Q928 HydrophobicContact CE2-CG 4.3Å
797L71.2Confident58Low51 Ų51100.3 Ų100.327%0.26754%0.536SS..  trans-88.7115.2175.2-62.8-179.2000108.9G795 P799 Q928 L941G795-L797 PolarHBondContact O-N 3.03Å; L797-P799 WeakPolarHBondContact O-CD 3.39Å; L797-Q928 PolarHBondContact O-NE2 2.77Å; L797-L941 HydrophobicContact CD1-CB 4.22Å; L797-L941 HydrophobicContact CD1-CD1 3.97Å
798V74.6Confident60.8Low96 Ų9698.3 Ų98.358%0.58252%0.522SS*.  trans-69.2123.6-179.1-175.50000109.5Y796 F802Y796-V798 HydrophobicContact CD1-CG2 4.04Å; Y796-V798 HydrophobicContact CE1-CB 4.42Å; Y796-V798 HydrophobicContact CE1-CG2 4.01Å; V798-F802 HydrophobicContact CG1-CB 3.53Å; V798-F802 HydrophobicContact CG1-CD1 4.1Å; V798-F802 HydrophobicContact CG1-CD2 4.08Å; V798-F802 HydrophobicContact CG1-CG 3.65Å
799P73.4Confident63.3Low12 Ų1293.2 Ų93.28%0.07849%0.488CS..  trans-65.9149.2174.3-20.833.4000112.3L797 D801 F802L797-P799 WeakPolarHBondContact O-CD 3.39Å; P799-D801 VanDerWaalsContact C-N 3.33Å; P799-D801 PolarHBondContact O-N 2.92Å; P799-F802 WeakPolarHBondContact O-CB 3.33Å; P799-F802 PolarHBondContact O-N 3.17Å
800D63.1Low65.9Low146 Ų14686 Ų8678%0.78146%0.455SS*.THydrogen-bonded Turntrans-57.2-41.4-171.8-54.4-75.5000113.4F802D800-F802 VanDerWaalsContact C-N 3.31Å; D800-F802 PolarHBondContact O-N 3.03Å
801D71.7Confident68.5Low98 Ų9882.6 Ų82.652%0.52444%0.44SS..THydrogen-bonded Turntrans-8512.9179.8-67-43.3000114.8P799 Q803 Q804 R805P799-D801 VanDerWaalsContact C-N 3.33Å; P799-D801 PolarHBondContact O-N 2.92Å; D801-Q803 VanDerWaalsContact C-N 3.32Å; D801-Q803 PolarHBondContact O-N 2.96Å; D801-Q803 VanDerWaalsContact O-N 3.16Å; D801-Q804 PolarHBondContact O-N 2.94Å; D801-Q804 VanDerWaalsContact O-N 3.1Å; D801-R805 HydrophobicContact CB-CG 4.35Å; D801-R805 PolarHBondContact O-N 2.87Å
802F78.6Confident71.2Confident21 Ų2177.9 Ų77.99%0.09242%0.421CS..Hα-helixtrans-51.7-43.5-169.2177.5-93.7000114.3L501 V798 P799 D800 N806 L866L501-F802 HydrophobicContact CB-CZ 4.08Å; L501-F802 HydrophobicContact CD1-CZ 4.41Å; V798-F802 HydrophobicContact CG1-CB 3.53Å; V798-F802 HydrophobicContact CG1-CD1 4.1Å; V798-F802 HydrophobicContact CG1-CD2 4.08Å; V798-F802 HydrophobicContact CG1-CG 3.65Å; P799-F802 WeakPolarHBondContact O-CB 3.33Å; P799-F802 PolarHBondContact O-N 3.17Å; D800-F802 VanDerWaalsContact C-N 3.31Å; D800-F802 PolarHBondContact O-N 3.03Å; F802-N806 WeakPolarHBondContact O-CB 3.41Å; F802-N806 PolarHBondContact O-N 3.44Å; F802-L866 HydrophobicContact CD2-CD2 3.51Å; F802-L866 HydrophobicContact CE2-CB 4.17Å; F802-L866 HydrophobicContact CE2-CD2 3.88Å; F802-L866 HydrophobicContact CG-CD2 4.37Å
803Q71.4Confident73.6Confident158 Ų15872.7 Ų72.774%0.73839%0.387SS*.Hα-helixtrans-65.7-42.2-178.6-65.8-1730.300112.2D801 L807D801-Q803 VanDerWaalsContact C-N 3.32Å; D801-Q803 PolarHBondContact O-N 2.96Å; D801-Q803 VanDerWaalsContact O-N 3.16Å; Q803-L807 WeakPolarHBondContact O-CG 3.34Å; Q803-L807 PolarHBondContact O-N 3.36Å; Q803-L807 VanDerWaalsContact O-N 3.13Å
804Q80.6Confident75.8Confident135 Ų13567.9 Ų67.963%0.63135%0.354SS*.Hα-helixtrans-69.5-46.1-179.3-178.4168-32.300111.1D801 N806 L807 E808D801-Q804 PolarHBondContact O-N 2.94Å; D801-Q804 VanDerWaalsContact O-N 3.1Å; Q804-N806 PolarHBondContact O-N 3.13Å; Q804-L807 PolarHBondContact O-N 2.78Å; Q804-E808 PolarHBondContact O-N 3.08Å
805R81.4Confident77.7Confident30 Ų3070.2 Ų70.211%0.11336%0.359CS..Hα-helixtrans-65.2-37.2177.4-69.3-163.3-71.9152.1-20.5112.8D801 L807 E808 L809 E862 L866 D934D801-R805 HydrophobicContact CB-CG 4.35Å; D801-R805 PolarHBondContact O-N 2.87Å; R805-L807 PolarHBondContact O-N 3.11Å; R805-E808 PolarHBondContact O-N 2.8Å; R805-L809 VanDerWaalsContact O-CB 3.31Å; R805-L809 WeakPolarHBondContact O-CB 3.26Å; R805-L809 PolarHBondContact O-N 3.22Å; R805-E862 WeakPolarHBondContact CD-OE2 3.48Å; R805-E862 IonicContact CZ-OE2 2.78Å; R805-E862 IonicContact NE-OE2 3.79Å; R805-E862 IonicContact NH1-OE1 2.86Å; R805-E862 PolarHBondContact NH1-OE1 3.1Å; R805-E862 IonicContact NH1-OE2 3.92Å; R805-E862 PolarHBondContact NH1-OE2 3.29Å; R805-L866 HydrophobicContact CB-CD1 4.02Å; R805-L866 HydrophobicContact CB-CD2 4.21Å; R805-D934 IonicContact CZ-OD1 3.5Å; R805-D934 IonicContact CZ-OD2 3.57Å; R805-D934 IonicContact NH1-OD2 3.04Å; R805-D934 IonicContact NH2-OD1 2.72Å; R805-D934 PolarHBondContact NH2-OD1 3.33Å; R805-D934 IonicContact NH2-OD2 3.89Å; R805-D934 PolarHBondContact NH2-OD2 2.86Å
806N82.4Confident78.9Confident28 Ų2871.5 Ų71.515%0.1535%0.348CS..Hα-helixtrans-62.2-42.1173.2178.967.6000112F802 Q804 I810 L866F802-N806 WeakPolarHBondContact O-CB 3.41Å; F802-N806 PolarHBondContact O-N 3.44Å; Q804-N806 PolarHBondContact O-N 3.13Å; N806-I810 WeakPolarHBondContact O-CB 3.46Å; N806-I810 VanDerWaalsContact O-CD1 3.32Å; N806-I810 WeakPolarHBondContact O-CD1 3.32Å; N806-I810 WeakPolarHBondContact O-CG1 3.48Å; N806-I810 PolarHBondContact O-N 3.2Å; N806-L866 HydrophobicContact CB-CD1 4.38Å
807L82.4Confident79.3Confident89 Ų8970.4 Ų70.447%0.46635%0.345SS..Hα-helixtrans-64.7-37.8174.5-73.2168.6000112.7Q803 Q804 R805 K811Q803-L807 WeakPolarHBondContact O-CG 3.34Å; Q803-L807 PolarHBondContact O-N 3.36Å; Q803-L807 VanDerWaalsContact O-N 3.13Å; Q804-L807 PolarHBondContact O-N 2.78Å; R805-L807 PolarHBondContact O-N 3.11Å; L807-K811 WeakPolarHBondContact O-CB 3.48Å; L807-K811 VanDerWaalsContact O-CG 3.25Å; L807-K811 WeakPolarHBondContact O-CG 3.2Å; L807-K811 PolarHBondContact O-N 3.48Å
808E83.2Confident79.6Confident118 Ų11876.2 Ų76.255%0.55137%0.37SS*.Hα-helixtrans-71.8-39.5177.6-172.6160.8-155.400112.6Q804 R805 K811 S812Q804-E808 PolarHBondContact O-N 3.08Å; R805-E808 PolarHBondContact O-N 2.8Å; E808-K811 PolarHBondContact O-N 2.7Å; E808-S812 WeakPolarHBondContact O-CB 3.38Å; E808-S812 PolarHBondContact O-N 2.72Å; E808-S812 PolarHBondContact O-OG 3.11Å
809L84.8Confident79.7Confident15 Ų1577.7 Ų77.78%0.07937%0.371CS..Hα-helixtrans-58.7-47.4170.3175.962.5000111R805 K811 S812 I813 I859 E862 L863 L866R805-L809 VanDerWaalsContact O-CB 3.31Å; R805-L809 WeakPolarHBondContact O-CB 3.26Å; R805-L809 PolarHBondContact O-N 3.22Å; L809-K811 PolarHBondContact O-N 3.27Å; L809-S812 PolarHBondContact O-N 3.06Å; L809-I813 HydrophobicContact CD1-CD1 3.76Å; L809-I813 HydrophobicContact CD1-CG1 4.2Å; L809-I813 HydrophobicContact CG-CD1 3.82Å; L809-I813 WeakPolarHBondContact O-CG1 3.48Å; L809-I813 PolarHBondContact O-N 3.4Å; L809-I859 HydrophobicContact CD1-CG2 3.57Å; L809-E862 HydrophobicContact CD1-CB 4.25Å; L809-L863 HydrophobicContact CD1-CB 4.42Å; L809-L863 HydrophobicContact CD2-CB 4.33Å; L809-L863 HydrophobicContact CD2-CD1 4.22Å; L809-L866 HydrophobicContact CB-CD1 4.27Å; L809-L866 HydrophobicContact CD2-CD1 3.84Å
810I83.8Confident80Confident16 Ų1680.1 Ų80.18%0.08238%0.383CS..Hα-helixtrans-60.3-45.8177.5-74.5163.8000111.6F498 N806 S812 I813 K814 F824F498-I810 HydrophobicContact CB-CD1 4.42Å; F498-I810 HydrophobicContact CD1-CD1 3.47Å; F498-I810 VanDerWaalsContact CD1-CD1 3.47Å; F498-I810 HydrophobicContact CD1-CG1 4.22Å; F498-I810 HydrophobicContact CD2-CD1 4.02Å; F498-I810 HydrophobicContact CD2-CG2 3.97Å; F498-I810 HydrophobicContact CE1-CD1 3.57Å; F498-I810 HydrophobicContact CE1-CG1 3.79Å; F498-I810 HydrophobicContact CE2-CB 4.48Å; F498-I810 HydrophobicContact CE2-CD1 4.11Å; F498-I810 HydrophobicContact CE2-CG1 4.11Å; F498-I810 HydrophobicContact CE2-CG2 3.55Å; F498-I810 HydrophobicContact CG-CD1 3.69Å; F498-I810 HydrophobicContact CZ-CB 4.47Å; F498-I810 HydrophobicContact CZ-CD1 3.89Å; F498-I810 HydrophobicContact CZ-CG1 3.72Å; F498-I810 HydrophobicContact CZ-CG2 3.98Å; N806-I810 WeakPolarHBondContact O-CB 3.46Å; N806-I810 VanDerWaalsContact O-CD1 3.32Å; N806-I810 WeakPolarHBondContact O-CD1 3.32Å; N806-I810 WeakPolarHBondContact O-CG1 3.48Å; N806-I810 PolarHBondContact O-N 3.2Å; I810-S812 VanDerWaalsContact C-N 3.33Å; I810-I813 PolarHBondContact O-N 3.01Å; I810-K814 PolarHBondContact O-N 3.31Å; I810-F824 HydrophobicContact CG2-CZ 4.32Å
811K83.2Confident80.9Confident143 Ų14378.3 Ų78.362%0.62237%0.37SS*.Hα-helixtrans-63-40176.3-74.4167.9-177.5177.50111.7L807 E808 L809 K815L807-K811 WeakPolarHBondContact O-CB 3.48Å; L807-K811 VanDerWaalsContact O-CG 3.25Å; L807-K811 WeakPolarHBondContact O-CG 3.2Å; L807-K811 PolarHBondContact O-N 3.48Å; E808-K811 PolarHBondContact O-N 2.7Å; L809-K811 PolarHBondContact O-N 3.27Å; K811-K815 WeakPolarHBondContact O-CB 3.4Å; K811-K815 PolarHBondContact O-N 3.01Å
812S84.4Confident81.4Confident39 Ų3976.9 Ų76.927%0.27337%0.367SS..Hα-helixtrans-64.2-49.8176.9-60.10000111.4E808 L809 I810 K814 K815 Y816E808-S812 WeakPolarHBondContact O-CB 3.38Å; E808-S812 PolarHBondContact O-N 2.72Å; E808-S812 PolarHBondContact O-OG 3.11Å; L809-S812 PolarHBondContact O-N 3.06Å; I810-S812 VanDerWaalsContact C-N 3.33Å; S812-K814 PolarHBondContact O-N 3.15Å; S812-K815 WeakPolarHBondContact O-CB 3.18Å; S812-K815 PolarHBondContact O-N 2.93Å; S812-K815 VanDerWaalsContact O-N 3.1Å; S812-Y816 WeakPolarHBondContact O-CD2 3.29Å; S812-Y816 PolarHBondContact O-N 2.69Å
813I84.3Confident81.5Confident4 Ų477.2 Ų77.22%0.02137%0.373CS..Hα-helixtrans-59.6-44.5177.6-66.2162.6000111.1L809 I810 K815 Y816 L817 F824 F827 L852 I859L809-I813 HydrophobicContact CD1-CD1 3.76Å; L809-I813 HydrophobicContact CD1-CG1 4.2Å; L809-I813 HydrophobicContact CG-CD1 3.82Å; L809-I813 WeakPolarHBondContact O-CG1 3.48Å; L809-I813 PolarHBondContact O-N 3.4Å; I810-I813 PolarHBondContact O-N 3.01Å; I813-K815 VanDerWaalsContact C-N 3.33Å; I813-K815 PolarHBondContact O-N 3.45Å; I813-Y816 PolarHBondContact O-N 3.43Å; I813-L817 HydrophobicContact CG2-CD1 3.8Å; I813-L817 HydrophobicContact CG2-CG 4.42Å; I813-L817 WeakPolarHBondContact O-CB 3.34Å; I813-L817 WeakPolarHBondContact O-CG 3.44Å; I813-L817 PolarHBondContact O-N 3.04Å; I813-F824 HydrophobicContact CB-CE2 4.26Å; I813-F824 HydrophobicContact CG2-CD2 3.79Å; I813-F824 HydrophobicContact CG2-CE2 3.67Å; I813-F827 HydrophobicContact CD1-CE1 3.76Å; I813-F827 HydrophobicContact CD1-CZ 3.74Å; I813-F827 HydrophobicContact CG2-CD1 4.27Å; I813-F827 HydrophobicContact CG2-CE1 4.42Å; I813-F827 HydrophobicContact CG2-CG 4.5Å; I813-L852 HydrophobicContact CG2-CD2 4.45Å; I813-I859 HydrophobicContact CD1-CG2 4.11Å; I813-I859 HydrophobicContact CG1-CD1 4.49Å; I813-I859 HydrophobicContact CG1-CG2 3.71Å
814K82.6Confident82.2Confident40 Ų4070.4 Ų70.417%0.17434%0.341CS..Hα-helixtrans-56-46173.2-80.6-174.1174.2-179.10112.1E495 I810 S812 L817 H818 H819 F824E495-K814 IonicContact OE1-NZ 3.26Å; E495-K814 PolarHBondContact OE1-NZ 3.24Å; I810-K814 PolarHBondContact O-N 3.31Å; S812-K814 PolarHBondContact O-N 3.15Å; K814-L817 CarbonylContact O-C 3.54Å; K814-L817 PolarHBondContact O-N 3.35Å; K814-H818 PolarHBondContact O-N 3.18Å; K814-H819 PolarHBondContact O-N 3.23Å; K814-F824 HydrophobicContact CD-CE1 4.38Å; K814-F824 HydrophobicContact CD-CZ 4.46Å; K814-F824 HydrophobicContact CG-CD1 4.34Å; K814-F824 HydrophobicContact CG-CE1 3.87Å; K814-F824 HydrophobicContact CG-CE2 4.08Å; K814-F824 HydrophobicContact CG-CZ 3.7Å
815K84.3Confident82.5Confident146 Ų14668 Ų6864%0.63533%0.332SS*.Hα-helixtrans-63.4-45.1179.9-178.4-175.2176.5-173.10112.3K811 S812 I813 H818K811-K815 WeakPolarHBondContact O-CB 3.4Å; K811-K815 PolarHBondContact O-N 3.01Å; S812-K815 WeakPolarHBondContact O-CB 3.18Å; S812-K815 PolarHBondContact O-N 2.93Å; S812-K815 VanDerWaalsContact O-N 3.1Å; I813-K815 VanDerWaalsContact C-N 3.33Å; I813-K815 PolarHBondContact O-N 3.45Å; K815-H818 PolarHBondContact O-N 2.85Å; K815-H818 VanDerWaalsContact O-N 3.15Å
816Y81.9Confident82.6Confident80 Ų8070.4 Ų70.431%0.31434%0.344SS..Hα-helixtrans-71.6-27.1179.6-71.4-65.5000113.3S812 I813 H818 N855 I859S812-Y816 WeakPolarHBondContact O-CD2 3.29Å; S812-Y816 PolarHBondContact O-N 2.69Å; I813-Y816 PolarHBondContact O-N 3.43Å; Y816-H818 PolarHBondContact O-N 3.38Å; Y816-N855 HydrophobicContact CD1-CB 3.47Å; Y816-N855 VanDerWaalsContact CD1-CB 3.47Å; Y816-N855 WeakPolarHBondContact CD1-OD1 3.05Å; Y816-N855 HydrophobicContact CE1-CB 3.76Å; Y816-N855 VanDerWaalsContact CE1-OD1 3.22Å; Y816-N855 WeakPolarHBondContact CE1-OD1 3.38Å; Y816-N855 HydrophobicContact CG-CB 3.88Å; Y816-I859 HydrophobicContact CD2-CD1 3.44Å; Y816-I859 VanDerWaalsContact CD2-CD1 3.44Å; Y816-I859 HydrophobicContact CD2-CG1 3.84Å; Y816-I859 HydrophobicContact CE2-CD1 4.02Å; Y816-I859 HydrophobicContact CE2-CG1 3.91Å; Y816-I859 HydrophobicContact CG-CD1 4Å
817L82.1Confident82.8Confident13 Ų1369.7 Ų69.77%0.06834%0.34CS..THydrogen-bonded Turntrans-85.515.9169.8-64174.9000113I813 K814 H819 D820 F824 L851 L852I813-L817 HydrophobicContact CG2-CD1 3.8Å; I813-L817 HydrophobicContact CG2-CG 4.42Å; I813-L817 WeakPolarHBondContact O-CB 3.34Å; I813-L817 WeakPolarHBondContact O-CG 3.44Å; I813-L817 PolarHBondContact O-N 3.04Å; K814-L817 CarbonylContact O-C 3.54Å; K814-L817 PolarHBondContact O-N 3.35Å; L817-H819 PolarHBondContact O-N 3.45Å; L817-D820 WeakPolarHBondContact O-CB 3.35Å; L817-D820 PolarHBondContact O-N 2.94Å; L817-F824 HydrophobicContact CD1-CB 4.04Å; L817-F824 HydrophobicContact CD1-CD2 3.97Å; L817-L851 VanDerWaalsContact CD2-O 3.31Å; L817-L851 WeakPolarHBondContact CD2-O 3.22Å; L817-L852 HydrophobicContact CD1-CD2 4.33Å; L817-L852 HydrophobicContact CD2-CD2 3.62Å; L817-L852 HydrophobicContact CD2-CG 4.26Å; L817-L852 HydrophobicContact CG-CD2 3.7Å
818H77.5Confident82.9Confident173 Ų17368.7 Ų68.780%0.80133%0.332SS*.THydrogen-bonded Turntrans51.130.2-179.4-63.5-85.3000114.6K814 K815 Y816 D820K814-H818 PolarHBondContact O-N 3.18Å; K815-H818 PolarHBondContact O-N 2.85Å; K815-H818 VanDerWaalsContact O-N 3.15Å; Y816-H818 PolarHBondContact O-N 3.38Å; H818-D820 PolarHBondContact O-N 2.9Å
819H75.7Confident83.2Confident128 Ų12867.1 Ų67.159%0.59333%0.327SS*.THydrogen-bonded Turntrans61.518.2-174-62.1-111.6000115.6K814 L817 E821K814-H819 PolarHBondContact O-N 3.23Å; L817-H819 PolarHBondContact O-N 3.45Å; H819-E821 PolarHBondContact O-N 3.23Å; H819-E821 VanDerWaalsContact O-N 3.11Å
820D81.8Confident83.4Confident62 Ų6269.3 Ų69.333%0.33234%0.335SS..  trans-67.8107.9171.5171.431.9000111.6L817 H818 S822 S823 F824L817-D820 WeakPolarHBondContact O-CB 3.35Å; L817-D820 PolarHBondContact O-N 2.94Å; H818-D820 PolarHBondContact O-N 2.9Å; D820-S822 VanDerWaalsContact CG-OG 3.24Å; D820-S822 PolarHBondContact O-N 3.45Å; D820-S822 WeakPolarHBondContact OD1-CB 3.38Å; D820-S822 PolarHBondContact OD1-N 2.89Å; D820-S822 PolarHBondContact OD1-OG 2.93Å; D820-S822 PolarHBondContact OD2-OG 3.32Å; D820-S823 WeakPolarHBondContact OD2-CB 3.31Å; D820-S823 PolarHBondContact OD2-N 3.02Å; D820-S823 PolarHBondContact OD2-OG 3.33Å; D820-F824 VanDerWaalsContact O-CB 3.26Å; D820-F824 WeakPolarHBondContact O-CB 3.15Å; D820-F824 PolarHBondContact O-N 3.39Å
821E81.3Confident83.5Confident108 Ų10869.5 Ų69.551%0.50534%0.338SS..Hα-helixtrans-56.5-31.3174-66.2-174.7-16600113.1F493 H819 N825F493-E821 WeakPolarHBondContact CE2-OE1 3.32Å; H819-E821 PolarHBondContact O-N 3.23Å; H819-E821 VanDerWaalsContact O-N 3.11Å; E821-N825 VanDerWaalsContact O-CB 3.26Å; E821-N825 WeakPolarHBondContact O-CB 3.18Å; E821-N825 VanDerWaalsContact O-CG 3.24Å; E821-N825 PolarHBondContact O-N 3.17Å; E821-N825 PolarHBondContact O-ND2 2.89Å
822S82.6Confident83.6Confident68 Ų6864.5 Ų64.548%0.47632%0.323SS..Hα-helixtrans-74-48.6-173.978.40000111.6D820 F824 N825 Q826D820-S822 VanDerWaalsContact CG-OG 3.24Å; D820-S822 PolarHBondContact O-N 3.45Å; D820-S822 WeakPolarHBondContact OD1-CB 3.38Å; D820-S822 PolarHBondContact OD1-N 2.89Å; D820-S822 PolarHBondContact OD1-OG 2.93Å; D820-S822 PolarHBondContact OD2-OG 3.32Å; S822-F824 VanDerWaalsContact C-N 3.32Å; S822-F824 PolarHBondContact O-N 3Å; S822-N825 PolarHBondContact O-N 3.49Å; S822-Q826 WeakPolarHBondContact O-CG 3.31Å; S822-Q826 PolarHBondContact O-N 2.75Å
823S81Confident83.7Confident29 Ų2964.8 Ų64.820%0.20332%0.32CS..Hα-helixtrans-64.3-36.2171-60.50000111.9D820 Q826 F827D820-S823 WeakPolarHBondContact OD2-CB 3.31Å; D820-S823 PolarHBondContact OD2-N 3.02Å; D820-S823 PolarHBondContact OD2-OG 3.33Å; S823-Q826 WeakPolarHBondContact O-CB 3.38Å; S823-Q826 PolarHBondContact O-N 3.11Å; S823-F827 PolarHBondContact O-N 3.45Å
824F85.8Confident83.9Confident15 Ų1564.6 Ų64.67%0.06632%0.319CS..Hα-helixtrans-67.7-37.2177-170.9-130.5000113F498 I810 I813 K814 L817 D820 S822 F827 K828F498-F824 AromaticContact CE2-CE1 3.69Å; F498-F824 HydrophobicContact CE2-CE1 3.69Å; F498-F824 AromaticContact CE2-CZ 3.45Å; F498-F824 HydrophobicContact CE2-CZ 3.45Å; F498-F824 VanDerWaalsContact CE2-CZ 3.45Å; F498-F824 HydrophobicContact CZ-CE1 4.06Å; F498-F824 HydrophobicContact CZ-CE2 4.32Å; F498-F824 AromaticContact CZ-CZ 3.5Å; F498-F824 HydrophobicContact CZ-CZ 3.5Å; F498-F824 VanDerWaalsContact CZ-CZ 3.5Å; I810-F824 HydrophobicContact CG2-CZ 4.32Å; I813-F824 HydrophobicContact CB-CE2 4.26Å; I813-F824 HydrophobicContact CG2-CD2 3.79Å; I813-F824 HydrophobicContact CG2-CE2 3.67Å; K814-F824 HydrophobicContact CD-CE1 4.38Å; K814-F824 HydrophobicContact CD-CZ 4.46Å; K814-F824 HydrophobicContact CG-CD1 4.34Å; K814-F824 HydrophobicContact CG-CE1 3.87Å; K814-F824 HydrophobicContact CG-CE2 4.08Å; K814-F824 HydrophobicContact CG-CZ 3.7Å; L817-F824 HydrophobicContact CD1-CB 4.04Å; L817-F824 HydrophobicContact CD1-CD2 3.97Å; D820-F824 VanDerWaalsContact O-CB 3.26Å; D820-F824 WeakPolarHBondContact O-CB 3.15Å; D820-F824 PolarHBondContact O-N 3.39Å; S822-F824 VanDerWaalsContact C-N 3.32Å; S822-F824 PolarHBondContact O-N 3Å; F824-F827 PolarHBondContact O-N 3.48Å; F824-K828 WeakPolarHBondContact O-CG 3.32Å; F824-K828 PolarHBondContact O-N 2.9Å
825N85.4Confident84Confident83 Ų8367.3 Ų67.344%0.44433%0.328SS..Hα-helixtrans-72.3-30.2173-75.5-48.2000112.3E821 S822 N829E821-N825 VanDerWaalsContact O-CB 3.26Å; E821-N825 WeakPolarHBondContact O-CB 3.18Å; E821-N825 VanDerWaalsContact O-CG 3.24Å; E821-N825 PolarHBondContact O-N 3.17Å; E821-N825 PolarHBondContact O-ND2 2.89Å; S822-N825 PolarHBondContact O-N 3.49Å; N825-N829 VanDerWaalsContact O-CB 3.32Å; N825-N829 WeakPolarHBondContact O-CB 3.34Å; N825-N829 PolarHBondContact O-N 3.29Å
826Q85Confident84.1Confident81 Ų8167 Ų6738%0.37933%0.329SS..Hα-helixtrans-63.6-47168.2-72.2178.569.500111.5S822 S823 K828 N829 Y830 L851S822-Q826 WeakPolarHBondContact O-CG 3.31Å; S822-Q826 PolarHBondContact O-N 2.75Å; S823-Q826 WeakPolarHBondContact O-CB 3.38Å; S823-Q826 PolarHBondContact O-N 3.11Å; Q826-K828 PolarHBondContact O-N 2.83Å; Q826-N829 WeakPolarHBondContact O-CB 3.25Å; Q826-N829 PolarHBondContact O-N 3.2Å; Q826-N829 VanDerWaalsContact O-N 3.15Å; Q826-Y830 HydrophobicContact CB-CE2 4.18Å; Q826-Y830 WeakPolarHBondContact O-CD2 3.48Å; Q826-Y830 PolarHBondContact O-N 3.01Å; Q826-L851 HydrophobicContact CB-CD1 4.09Å
827F86.9Confident84.2Confident14 Ų1466.8 Ų66.86%0.06134%0.339CS..Hα-helixtrans-55.4-51.8173.9177.4-91.5000111.6I813 S823 F824 N829 Y830 S831 C848 L851 L852 L863I813-F827 HydrophobicContact CD1-CE1 3.76Å; I813-F827 HydrophobicContact CD1-CZ 3.74Å; I813-F827 HydrophobicContact CG2-CD1 4.27Å; I813-F827 HydrophobicContact CG2-CE1 4.42Å; I813-F827 HydrophobicContact CG2-CG 4.5Å; S823-F827 PolarHBondContact O-N 3.45Å; F824-F827 PolarHBondContact O-N 3.48Å; F827-N829 VanDerWaalsContact C-N 3.27Å; F827-N829 PolarHBondContact O-N 3.49Å; F827-Y830 PolarHBondContact O-N 3.02Å; F827-Y830 VanDerWaalsContact O-N 3.16Å; F827-S831 PolarHBondContact O-N 2.9Å; F827-S831 PolarHBondContact O-OG 3.46Å; F827-S831 VanDerWaalsContact O-OG 3.13Å; F827-C848 HydrophobicContact CE2-CB 4.46Å; F827-L851 HydrophobicContact CB-CD1 4.18Å; F827-L852 HydrophobicContact CD2-CD1 4.22Å; F827-L852 HydrophobicContact CE2-CD1 4.09Å; F827-L863 HydrophobicContact CE2-CD2 4.09Å; F827-L863 HydrophobicContact CZ-CD1 3.91Å; F827-L863 HydrophobicContact CZ-CD2 3.91Å
828K84.1Confident84.4Confident67 Ų6770.6 Ų70.629%0.29136%0.363SS..Hα-helixtrans-53.4-42.7175-76177.2175-179.30112.6F824 Q826 S831 A832F824-K828 WeakPolarHBondContact O-CG 3.32Å; F824-K828 PolarHBondContact O-N 2.9Å; Q826-K828 PolarHBondContact O-N 2.83Å; K828-S831 PolarHBondContact O-N 3.3Å; K828-A832 WeakPolarHBondContact O-CB 3.19Å; K828-A832 PolarHBondContact O-N 2.98Å
829N89.3Confident85Confident85 Ų8563.6 Ų63.646%0.45533%0.331SS..Hα-helixtrans-64.9-45.7179.1-173.223.6000111.6N825 Q826 F827 A832 Q833N825-N829 VanDerWaalsContact O-CB 3.32Å; N825-N829 WeakPolarHBondContact O-CB 3.34Å; N825-N829 PolarHBondContact O-N 3.29Å; Q826-N829 WeakPolarHBondContact O-CB 3.25Å; Q826-N829 PolarHBondContact O-N 3.2Å; Q826-N829 VanDerWaalsContact O-N 3.15Å; F827-N829 VanDerWaalsContact C-N 3.27Å; F827-N829 PolarHBondContact O-N 3.49Å; N829-A832 PolarHBondContact O-N 3Å; N829-Q833 PolarHBondContact ND2-NE2 3.04Å; N829-Q833 WeakPolarHBondContact O-CB 3.1Å; N829-Q833 WeakPolarHBondContact O-CG 3.47Å; N829-Q833 PolarHBondContact O-N 2.72Å; N829-Q833 PolarHBondContact OD1-NE2 3.5Å
830Y87.9Confident85.6Confident61 Ų6160.2 Ų60.224%0.23932%0.322CS..Hα-helixtrans-63.6-42.1175.5-63.4-47.4000112.1Q826 F827 A832 Q833 F834 I839 L851Q826-Y830 HydrophobicContact CB-CE2 4.18Å; Q826-Y830 WeakPolarHBondContact O-CD2 3.48Å; Q826-Y830 PolarHBondContact O-N 3.01Å; F827-Y830 PolarHBondContact O-N 3.02Å; F827-Y830 VanDerWaalsContact O-N 3.16Å; Y830-A832 VanDerWaalsContact C-N 3.34Å; Y830-A832 PolarHBondContact O-N 3.37Å; Y830-Q833 PolarHBondContact O-N 2.93Å; Y830-F834 WeakPolarHBondContact O-CB 3.08Å; Y830-F834 PolarHBondContact O-N 2.97Å; Y830-I839 HydrophobicContact CD1-CD1 4.3Å; Y830-L851 HydrophobicContact CD2-CD1 3.85Å; Y830-L851 HydrophobicContact CE2-CD1 3.82Å
831S86.9Confident85.9Confident21 Ų2157.7 Ų57.715%0.14731%0.31CS..Hα-helixtrans-63.9-37.2176-53.90000112.5F827 K828 R835 Y844F827-S831 PolarHBondContact O-N 2.9Å; F827-S831 PolarHBondContact O-OG 3.46Å; F827-S831 VanDerWaalsContact O-OG 3.13Å; K828-S831 PolarHBondContact O-N 3.3Å; S831-R835 WeakPolarHBondContact O-CG 3.28Å; S831-R835 PolarHBondContact O-N 3.04Å; S831-R835 VanDerWaalsContact O-N 3.17Å; S831-Y844 PolarHBondContact OG-OH 3.33Å
832A86.1Confident86.2Confident38 Ų3854 Ų5431%0.31430%0.297SS..Hα-helixtrans-66.5-45.6174.200000111.8K828 N829 Y830 F834 R835 Q836K828-A832 WeakPolarHBondContact O-CB 3.19Å; K828-A832 PolarHBondContact O-N 2.98Å; N829-A832 PolarHBondContact O-N 3Å; Y830-A832 VanDerWaalsContact C-N 3.34Å; Y830-A832 PolarHBondContact O-N 3.37Å; A832-F834 PolarHBondContact O-N 3.35Å; A832-R835 PolarHBondContact O-N 3.23Å; A832-Q836 WeakPolarHBondContact O-CB 3.13Å; A832-Q836 VanDerWaalsContact O-CG 3.3Å; A832-Q836 WeakPolarHBondContact O-CG 3.29Å; A832-Q836 PolarHBondContact O-N 2.74Å
833Q85.7Confident86.3Confident45 Ų4555.5 Ų55.521%0.2130%0.297CS..Hα-helixtrans-62.5-40.3176.7-74175.24000112.4N829 Y830 Q836 S837 V838 I839N829-Q833 PolarHBondContact ND2-NE2 3.04Å; N829-Q833 WeakPolarHBondContact O-CB 3.1Å; N829-Q833 WeakPolarHBondContact O-CG 3.47Å; N829-Q833 PolarHBondContact O-N 2.72Å; N829-Q833 PolarHBondContact OD1-NE2 3.5Å; Y830-Q833 PolarHBondContact O-N 2.93Å; Q833-Q836 CarbonylContact O-C 3.55Å; Q833-Q836 PolarHBondContact O-N 2.72Å; Q833-S837 PolarHBondContact O-N 2.77Å; Q833-S837 VanDerWaalsContact O-N 3.09Å; Q833-V838 HydrophobicContact CB-CB 4.01Å; Q833-V838 HydrophobicContact CB-CG1 4.34Å; Q833-V838 HydrophobicContact CG-CB 4.3Å; Q833-V838 HydrophobicContact CG-CG1 4.21Å; Q833-V838 PolarHBondContact O-N 2.89Å; Q833-I839 HydrophobicContact CB-CD1 4.11Å; Q833-I839 HydrophobicContact CB-CG1 3.98Å; Q833-I839 HydrophobicContact CB-CG2 4.32Å
834F87.7Confident86.7Confident0 Ų054.2 Ų54.20%029%0.288CS..Hα-helixtrans-64.4-44.8177176.5-122.2000111.9Y830 A832 Q836 S837 I839 A841 Y844 L867 K872 L876Y830-F834 WeakPolarHBondContact O-CB 3.08Å; Y830-F834 PolarHBondContact O-N 2.97Å; A832-F834 PolarHBondContact O-N 3.35Å; F834-Q836 PolarHBondContact O-N 3.01Å; F834-S837 PolarHBondContact O-N 3.08Å; F834-I839 HydrophobicContact CB-CD1 4.33Å; F834-I839 HydrophobicContact CB-CG1 4.06Å; F834-A841 HydrophobicContact CE2-CB 3.74Å; F834-A841 HydrophobicContact CZ-CB 4.16Å; F834-Y844 HydrophobicContact CB-CD1 4.1Å; F834-Y844 HydrophobicContact CB-CD2 3.87Å; F834-Y844 HydrophobicContact CB-CE2 4.32Å; F834-Y844 HydrophobicContact CB-CG 3.75Å; F834-Y844 AromaticContact CD1-CD1 3.54Å; F834-Y844 HydrophobicContact CD1-CD1 3.54Å; F834-Y844 AromaticContact CD1-CE1 3.71Å; F834-Y844 HydrophobicContact CD1-CE1 3.71Å; F834-Y844 HydrophobicContact CD1-CG 4.09Å; F834-Y844 HydrophobicContact CD2-CD1 4.33Å; F834-Y844 HydrophobicContact CD2-CG 4.33Å; F834-Y844 HydrophobicContact CE1-CD1 4.04Å; F834-Y844 HydrophobicContact CE1-CE1 4.26Å; F834-Y844 AromaticContact CG-CD1 3.71Å; F834-Y844 HydrophobicContact CG-CD1 3.71Å; F834-Y844 HydrophobicContact CG-CD2 4.38Å; F834-Y844 HydrophobicContact CG-CE1 4.25Å; F834-Y844 AromaticContact CG-CG 3.78Å; F834-Y844 HydrophobicContact CG-CG 3.78Å; F834-L867 HydrophobicContact CE1-CD1 4.12Å; F834-K872 HydrophobicContact CD2-CD 4.36Å; F834-K872 HydrophobicContact CE1-CB 3.99Å; F834-K872 HydrophobicContact CE1-CD 4.12Å; F834-K872 HydrophobicContact CE2-CD 3.73Å; F834-K872 HydrophobicContact CZ-CB 3.96Å; F834-K872 HydrophobicContact CZ-CD 3.6Å; F834-K872 HydrophobicContact CZ-CG 4.35Å; F834-L876 HydrophobicContact CE1-CB 4.26Å; F834-L876 HydrophobicContact CE1-CD2 4.14Å; F834-L876 HydrophobicContact CZ-CB 4.04Å
835R85.2Confident86.7Confident97 Ų9753.8 Ų53.837%0.36629%0.286SS..Hα-helixtrans-61.4-32.6173.5-71.7176.368.4-149.83.4112.7S831 A832 S837 L867S831-R835 WeakPolarHBondContact O-CG 3.28Å; S831-R835 PolarHBondContact O-N 3.04Å; S831-R835 VanDerWaalsContact O-N 3.17Å; A832-R835 PolarHBondContact O-N 3.23Å; R835-S837 VanDerWaalsContact C-N 3.26Å; R835-S837 PolarHBondContact O-N 3.06Å; R835-L867 HydrophobicContact CG-CD2 4.31Å
836Q85.9Confident86.7Confident139 Ų13956.2 Ų56.265%0.6529%0.289SS*.THydrogen-bonded Turntrans-82.11.3174.6-67.4172.210.400113.5A832 Q833 F834 V838A832-Q836 WeakPolarHBondContact O-CB 3.13Å; A832-Q836 VanDerWaalsContact O-CG 3.3Å; A832-Q836 WeakPolarHBondContact O-CG 3.29Å; A832-Q836 PolarHBondContact O-N 2.74Å; Q833-Q836 CarbonylContact O-C 3.55Å; Q833-Q836 PolarHBondContact O-N 2.72Å; F834-Q836 PolarHBondContact O-N 3.01Å; Q836-V838 HydrophobicContact CB-CG2 3.8Å; Q836-V838 PolarHBondContact O-N 3.11Å
837S84.4Confident86.7Confident76 Ų7653.7 Ų53.753%0.53128%0.28SS..THydrogen-bonded Turntrans56.824.3-173.1-53.10000114.9Q833 F834 R835 K872Q833-S837 PolarHBondContact O-N 2.77Å; Q833-S837 VanDerWaalsContact O-N 3.09Å; F834-S837 PolarHBondContact O-N 3.08Å; R835-S837 VanDerWaalsContact C-N 3.26Å; R835-S837 PolarHBondContact O-N 3.06Å; S837-K872 WeakPolarHBondContact OG-CE 3.41Å; S837-K872 PolarHBondContact OG-NZ 3.24Å
838V87.3Confident86.6Confident92 Ų9253 Ų5356%0.55828%0.277SS*.SBendtrans-76.4-28.1177.2175.10000111.5Q833 Q836Q833-V838 HydrophobicContact CB-CB 4.01Å; Q833-V838 HydrophobicContact CB-CG1 4.34Å; Q833-V838 HydrophobicContact CG-CB 4.3Å; Q833-V838 HydrophobicContact CG-CG1 4.21Å; Q833-V838 PolarHBondContact O-N 2.89Å; Q836-V838 HydrophobicContact CB-CG2 3.8Å; Q836-V838 PolarHBondContact O-N 3.11Å
839I88.3Confident86.6Confident26 Ų2651.9 Ų51.913%0.13327%0.272CS..SBendtrans-123.9146.9171.961.6177.4000110.2Y830 Q833 F834 Q843 Y844Y830-I839 HydrophobicContact CD1-CD1 4.3Å; Q833-I839 HydrophobicContact CB-CD1 4.11Å; Q833-I839 HydrophobicContact CB-CG1 3.98Å; Q833-I839 HydrophobicContact CB-CG2 4.32Å; F834-I839 HydrophobicContact CB-CD1 4.33Å; F834-I839 HydrophobicContact CB-CG1 4.06Å; I839-Q843 HydrophobicContact CB-CB 4.43Å; I839-Y844 HydrophobicContact CD1-CD2 4.06Å; I839-Y844 HydrophobicContact CD1-CG 4.43Å
840S89.4Confident86.4Confident57 Ų5754 Ų5440%0.39928%0.284SS..  trans-73155.9176.266.40000112A842 Q843 Y844S840-A842 PolarHBondContact O-N 3.17Å; S840-Q843 WeakPolarHBondContact O-CB 3.32Å; S840-Q843 PolarHBondContact O-N 3.44Å; S840-Q843 VanDerWaalsContact OG-CD 3.27Å; S840-Q843 WeakPolarHBondContact OG-CG 3.41Å; S840-Q843 PolarHBondContact OG-N 3.45Å; S840-Q843 PolarHBondContact OG-OE1 3.03Å; S840-Y844 PolarHBondContact O-N 3.39Å
841A88.2Confident86.2Confident9 Ų953 Ų537%0.07428%0.282CS..Hα-helixtrans-55-37.6176.800000113.5F834 Y844 H845 E875 A879F834-A841 HydrophobicContact CE2-CB 3.74Å; F834-A841 HydrophobicContact CZ-CB 4.16Å; A841-Y844 PolarHBondContact O-N 2.77Å; A841-H845 VanDerWaalsContact O-CB 3.25Å; A841-H845 WeakPolarHBondContact O-CB 3.3Å; A841-H845 PolarHBondContact O-N 2.72Å; A841-E875 HydrophobicContact CB-CB 3.95Å; A841-A879 HydrophobicContact CB-CB 3.61Å
842A86.4Confident85.9Confident30 Ų3052.3 Ų52.325%0.24828%0.277CS..Hα-helixtrans-71.1-27.8177.100000113.5S840 R846 A879S840-A842 PolarHBondContact O-N 3.17Å; A842-R846 WeakPolarHBondContact O-CD 3.46Å; A842-R846 VanDerWaalsContact O-CG 3.25Å; A842-R846 WeakPolarHBondContact O-CG 3.03Å; A842-R846 PolarHBondContact O-N 2.86Å; A842-R846 PolarHBondContact O-NE 3.27Å; A842-A879 HydrophobicContact CB-CB 4.2Å
843Q86.1Confident85.6Confident100 Ų10052 Ų5247%0.46728%0.277SS..Hα-helixtrans-75.4-47.6170.5-72.8160.8-45.500110.6I839 S840 H845 R846 S847I839-Q843 HydrophobicContact CB-CB 4.43Å; S840-Q843 WeakPolarHBondContact O-CB 3.32Å; S840-Q843 PolarHBondContact O-N 3.44Å; S840-Q843 VanDerWaalsContact OG-CD 3.27Å; S840-Q843 WeakPolarHBondContact OG-CG 3.41Å; S840-Q843 PolarHBondContact OG-N 3.45Å; S840-Q843 PolarHBondContact OG-OE1 3.03Å; Q843-H845 VanDerWaalsContact C-N 3.34Å; Q843-H845 PolarHBondContact O-N 2.95Å; Q843-R846 PolarHBondContact O-N 3.33Å; Q843-R846 VanDerWaalsContact O-N 3.17Å; Q843-S847 PolarHBondContact O-N 3.18Å; Q843-S847 PolarHBondContact O-OG 3.13Å
844Y87.9Confident84.9Confident3 Ų356.3 Ų56.31%0.01230%0.302CS..Hα-helixtrans-56.5-46177.1178.9-119.8000112.2S831 F834 I839 S840 A841 R846 S847 C848 L876S831-Y844 PolarHBondContact OG-OH 3.33Å; F834-Y844 HydrophobicContact CB-CD1 4.1Å; F834-Y844 HydrophobicContact CB-CD2 3.87Å; F834-Y844 HydrophobicContact CB-CE2 4.32Å; F834-Y844 HydrophobicContact CB-CG 3.75Å; F834-Y844 AromaticContact CD1-CD1 3.54Å; F834-Y844 HydrophobicContact CD1-CD1 3.54Å; F834-Y844 AromaticContact CD1-CE1 3.71Å; F834-Y844 HydrophobicContact CD1-CE1 3.71Å; F834-Y844 HydrophobicContact CD1-CG 4.09Å; F834-Y844 HydrophobicContact CD2-CD1 4.33Å; F834-Y844 HydrophobicContact CD2-CG 4.33Å; F834-Y844 HydrophobicContact CE1-CD1 4.04Å; F834-Y844 HydrophobicContact CE1-CE1 4.26Å; F834-Y844 AromaticContact CG-CD1 3.71Å; F834-Y844 HydrophobicContact CG-CD1 3.71Å; F834-Y844 HydrophobicContact CG-CD2 4.38Å; F834-Y844 HydrophobicContact CG-CE1 4.25Å; F834-Y844 AromaticContact CG-CG 3.78Å; F834-Y844 HydrophobicContact CG-CG 3.78Å; I839-Y844 HydrophobicContact CD1-CD2 4.06Å; I839-Y844 HydrophobicContact CD1-CG 4.43Å; S840-Y844 PolarHBondContact O-N 3.39Å; A841-Y844 PolarHBondContact O-N 2.77Å; Y844-R846 PolarHBondContact O-N 3.16Å; Y844-S847 PolarHBondContact O-N 2.85Å; Y844-C848 WeakPolarHBondContact CE2-SG 3.31Å; Y844-C848 WeakPolarHBondContact O-CB 3.45Å; Y844-C848 PolarHBondContact O-N 2.93Å; Y844-C848 PolarHBondContact O-SG 3.31Å; Y844-C848 VanDerWaalsContact O-SG 3.33Å; Y844-L876 HydrophobicContact CD1-CD1 3.82Å; Y844-L876 HydrophobicContact CD1-CD2 4.03Å; Y844-L876 HydrophobicContact CE1-CD1 4.38Å; Y844-L876 HydrophobicContact CE1-CD2 3.79Å
845H87.2Confident84.3Confident6 Ų659.4 Ų59.43%0.02832%0.319CS..Hα-helixtrans-57.6-45.9175.9-179.7-79000112.4A841 Q843 K849 F856 L876 H880A841-H845 VanDerWaalsContact O-CB 3.25Å; A841-H845 WeakPolarHBondContact O-CB 3.3Å; A841-H845 PolarHBondContact O-N 2.72Å; Q843-H845 VanDerWaalsContact C-N 3.34Å; Q843-H845 PolarHBondContact O-N 2.95Å; H845-K849 WeakPolarHBondContact O-CB 3.26Å; H845-K849 PolarHBondContact O-N 2.97Å; H845-F856 AromaticContact CD2-CE1 3.78Å; H845-F856 AromaticContact CE1-CE1 3.99Å; H845-F856 AromaticContact NE2-CE1 3.62Å; H845-L876 HydrophobicContact CB-CD1 4.24Å; H845-H880 AromaticContact CD2-CD2 3.94Å; H845-H880 AromaticContact NE2-CD2 3.18Å; H845-H880 PolarHBondContact NE2-CD2 3.44Å; H845-H880 AromaticContact NE2-CG 3.6Å
846R85.4Confident84Confident133 Ų13354.9 Ų54.950%0.50230%0.302SS..Hα-helixtrans-64.4-54.6176.8-69.1170.9-153.6174.16.4110.9A842 Q843 Y844 C848 K849 D850A842-R846 WeakPolarHBondContact O-CD 3.46Å; A842-R846 VanDerWaalsContact O-CG 3.25Å; A842-R846 WeakPolarHBondContact O-CG 3.03Å; A842-R846 PolarHBondContact O-N 2.86Å; A842-R846 PolarHBondContact O-NE 3.27Å; Q843-R846 PolarHBondContact O-N 3.33Å; Q843-R846 VanDerWaalsContact O-N 3.17Å; Y844-R846 PolarHBondContact O-N 3.16Å; R846-C848 PolarHBondContact O-N 2.92Å; R846-C848 VanDerWaalsContact O-N 3.13Å; R846-K849 CarbonylContact O-C 3.38Å; R846-K849 WeakPolarHBondContact O-CA 3.44Å; R846-K849 PolarHBondContact O-N 2.94Å; R846-D850 WeakPolarHBondContact O-CB 3.44Å; R846-D850 PolarHBondContact O-N 3.48Å; R846-D850 VanDerWaalsContact O-OD2 3.11Å
847S85.5Confident83.5Confident28 Ų2851.3 Ų51.320%0.19629%0.287CS..Hα-helixtrans-59.2-30.2-178.9-58.60000113.7Q843 Y844 L851Q843-S847 PolarHBondContact O-N 3.18Å; Q843-S847 PolarHBondContact O-OG 3.13Å; Y844-S847 PolarHBondContact O-N 2.85Å; S847-L851 WeakPolarHBondContact O-CB 3.46Å; S847-L851 VanDerWaalsContact O-CG 3.29Å; S847-L851 WeakPolarHBondContact O-CG 3.34Å; S847-L851 PolarHBondContact O-N 3.4Å
848C83.6Confident83Confident0 Ų051.1 Ų51.10%029%0.286CS..Hα-helixtrans-75.8-37.9171.7-69.90000113.1F827 Y844 R846 L851 L852 F856F827-C848 HydrophobicContact CE2-CB 4.46Å; Y844-C848 WeakPolarHBondContact CE2-SG 3.31Å; Y844-C848 WeakPolarHBondContact O-CB 3.45Å; Y844-C848 PolarHBondContact O-N 2.93Å; Y844-C848 PolarHBondContact O-SG 3.31Å; Y844-C848 VanDerWaalsContact O-SG 3.33Å; R846-C848 PolarHBondContact O-N 2.92Å; R846-C848 VanDerWaalsContact O-N 3.13Å; C848-L851 PolarHBondContact O-N 2.81Å; C848-L852 WeakPolarHBondContact O-CB 3.1Å; C848-L852 PolarHBondContact O-N 3.38Å; C848-F856 HydrophobicContact CB-CD2 3.87Å; C848-F856 HydrophobicContact CB-CE2 3.34Å; C848-F856 HydrophobicContact CB-CZ 4.02Å
849K84.3Confident82.7Confident44 Ų4447 Ų4719%0.19126%0.261CS..Hα-helixtrans-67.5-38.8173.8-173.8168.4179.4169.30112.1H845 R846 L851 L852 G853 F856 E887H845-K849 WeakPolarHBondContact O-CB 3.26Å; H845-K849 PolarHBondContact O-N 2.97Å; R846-K849 CarbonylContact O-C 3.38Å; R846-K849 WeakPolarHBondContact O-CA 3.44Å; R846-K849 PolarHBondContact O-N 2.94Å; K849-L851 VanDerWaalsContact C-N 3.28Å; K849-L851 PolarHBondContact O-N 2.9Å; K849-L852 PolarHBondContact O-N 3.05Å; K849-G853 WeakPolarHBondContact O-CA 3.38Å; K849-G853 PolarHBondContact O-N 3.21Å; K849-F856 HydrophobicContact CB-CD1 3.87Å; K849-F856 HydrophobicContact CB-CE1 4.28Å; K849-F856 HydrophobicContact CB-CG 4.18Å; K849-F856 HydrophobicContact CD-CD1 4.48Å; K849-F856 HydrophobicContact CG-CD1 4.23Å; K849-E887 IonicContact NZ-OE1 2.77Å; K849-E887 PolarHBondContact NZ-OE1 3.26Å; K849-E887 IonicContact NZ-OE2 3.71Å; K849-E887 PolarHBondContact NZ-OE2 2.83Å
850D84.8Confident82.4Confident130 Ų13045.8 Ų45.870%0.69525%0.254SS*.Hα-helixtrans-64.6-31.5175.8-59.3-31.4000111.8R846R846-D850 WeakPolarHBondContact O-CB 3.44Å; R846-D850 PolarHBondContact O-N 3.48Å; R846-D850 VanDerWaalsContact O-OD2 3.11Å
851L83.6Confident82.1Confident38 Ų3844.8 Ų44.820%0.19924%0.244CC..Hα-helixtrans-84-34.8176.4-77.5176.3000114.4L817 Q826 F827 Y830 S847 C848 K849L817-L851 VanDerWaalsContact CD2-O 3.31Å; L817-L851 WeakPolarHBondContact CD2-O 3.22Å; Q826-L851 HydrophobicContact CB-CD1 4.09Å; F827-L851 HydrophobicContact CB-CD1 4.18Å; Y830-L851 HydrophobicContact CD2-CD1 3.85Å; Y830-L851 HydrophobicContact CE2-CD1 3.82Å; S847-L851 WeakPolarHBondContact O-CB 3.46Å; S847-L851 VanDerWaalsContact O-CG 3.29Å; S847-L851 WeakPolarHBondContact O-CG 3.34Å; S847-L851 PolarHBondContact O-N 3.4Å; C848-L851 PolarHBondContact O-N 2.81Å; K849-L851 VanDerWaalsContact C-N 3.28Å; K849-L851 PolarHBondContact O-N 2.9Å
852L80.2Confident81.9Confident7 Ų747.5 Ų47.54%0.03726%0.255CS..Hα-helixtrans-106.3-11-170.8-70.5161.5000114.1I813 L817 F827 C848 K849 N855 F856 I859I813-L852 HydrophobicContact CG2-CD2 4.45Å; L817-L852 HydrophobicContact CD1-CD2 4.33Å; L817-L852 HydrophobicContact CD2-CD2 3.62Å; L817-L852 HydrophobicContact CD2-CG 4.26Å; L817-L852 HydrophobicContact CG-CD2 3.7Å; F827-L852 HydrophobicContact CD2-CD1 4.22Å; F827-L852 HydrophobicContact CE2-CD1 4.09Å; C848-L852 WeakPolarHBondContact O-CB 3.1Å; C848-L852 PolarHBondContact O-N 3.38Å; K849-L852 PolarHBondContact O-N 3.05Å; L852-N855 WeakPolarHBondContact O-CB 3.42Å; L852-N855 PolarHBondContact O-N 2.78Å; L852-N855 PolarHBondContact O-ND2 3.47Å; L852-F856 HydrophobicContact CB-CB 4Å; L852-F856 HydrophobicContact CD1-CD2 4Å; L852-I859 HydrophobicContact CD1-CD1 4.12Å; L852-I859 HydrophobicContact CD2-CD1 3.91Å; L852-I859 HydrophobicContact CG-CD1 4.45Å
853G79.7Confident81.8Confident32 Ų3246.8 Ų46.833%0.3325%0.248SC..G310 helixtrans59.5-146.5-176.500000112.5K849 N855 F856K849-G853 WeakPolarHBondContact O-CA 3.38Å; K849-G853 PolarHBondContact O-N 3.21Å; G853-N855 PolarHBondContact O-N 2.86Å; G853-N855 VanDerWaalsContact O-N 3.17Å; G853-F856 WeakPolarHBondContact O-CB 3.38Å; G853-F856 PolarHBondContact O-N 3.27Å
854D72.8Confident81.7Confident135 Ų13542 Ų4272%0.72223%0.225SC*.G310 helixtrans-62.9-23.6-178.6-59.6-57.7000113.5F856 N857D854-F856 PolarHBondContact O-N 3.49Å; D854-N857 PolarHBondContact O-N 2.85Å; D854-N857 PolarHBondContact O-ND2 2.99Å
855N75.4Confident81.5Confident66 Ų6642 Ų4235%0.35323%0.225SC..G310 helixtrans-64.7-19.3174.7-50.8-72.8000112.8Y816 L852 G853 N857 S858 I859Y816-N855 HydrophobicContact CD1-CB 3.47Å; Y816-N855 VanDerWaalsContact CD1-CB 3.47Å; Y816-N855 WeakPolarHBondContact CD1-OD1 3.05Å; Y816-N855 HydrophobicContact CE1-CB 3.76Å; Y816-N855 VanDerWaalsContact CE1-OD1 3.22Å; Y816-N855 WeakPolarHBondContact CE1-OD1 3.38Å; Y816-N855 HydrophobicContact CG-CB 3.88Å; L852-N855 WeakPolarHBondContact O-CB 3.42Å; L852-N855 PolarHBondContact O-N 2.78Å; L852-N855 PolarHBondContact O-ND2 3.47Å; G853-N855 PolarHBondContact O-N 2.86Å; G853-N855 VanDerWaalsContact O-N 3.17Å; N855-N857 PolarHBondContact O-N 3.29Å; N855-S858 PolarHBondContact O-N 3.13Å; N855-S858 PolarHBondContact O-OG 2.97Å; N855-I859 HydrophobicContact CB-CD1 4.43Å; N855-I859 WeakPolarHBondContact O-CD1 3.47Å; N855-I859 VanDerWaalsContact O-CG1 3.31Å; N855-I859 WeakPolarHBondContact O-CG1 3.12Å; N855-I859 PolarHBondContact O-N 3.32Å
856F78.1Confident81.3Confident2 Ų241.8 Ų41.81%0.00922%0.224CC..Hα-helixtrans-52.5-42.2175.5179.3-114.3000111.7H845 C848 K849 L852 G853 D854 S858 I859 F860 L863H845-F856 AromaticContact CD2-CE1 3.78Å; H845-F856 AromaticContact CE1-CE1 3.99Å; H845-F856 AromaticContact NE2-CE1 3.62Å; C848-F856 HydrophobicContact CB-CD2 3.87Å; C848-F856 HydrophobicContact CB-CE2 3.34Å; C848-F856 HydrophobicContact CB-CZ 4.02Å; K849-F856 HydrophobicContact CB-CD1 3.87Å; K849-F856 HydrophobicContact CB-CE1 4.28Å; K849-F856 HydrophobicContact CB-CG 4.18Å; K849-F856 HydrophobicContact CD-CD1 4.48Å; K849-F856 HydrophobicContact CG-CD1 4.23Å; L852-F856 HydrophobicContact CB-CB 4Å; L852-F856 HydrophobicContact CD1-CD2 4Å; G853-F856 WeakPolarHBondContact O-CB 3.38Å; G853-F856 PolarHBondContact O-N 3.27Å; D854-F856 PolarHBondContact O-N 3.49Å; F856-S858 VanDerWaalsContact C-N 3.32Å; F856-S858 PolarHBondContact O-N 3.04Å; F856-I859 PolarHBondContact O-N 3.16Å; F856-F860 HydrophobicContact CE1-CB 4.45Å; F856-F860 AromaticContact CE1-CD2 3.84Å; F856-F860 HydrophobicContact CE1-CD2 3.84Å; F856-F860 HydrophobicContact CE1-CE2 4.42Å; F856-F860 HydrophobicContact CE1-CG 4.3Å; F856-F860 AromaticContact CE2-CD2 3.95Å; F856-F860 HydrophobicContact CE2-CD2 3.95Å; F856-F860 HydrophobicContact CZ-CB 4.4Å; F856-F860 AromaticContact CZ-CD2 3.33Å; F856-F860 HydrophobicContact CZ-CD2 3.33Å; F856-F860 AromaticContact CZ-CE2 3.9Å; F856-F860 HydrophobicContact CZ-CE2 3.9Å; F856-F860 HydrophobicContact CZ-CG 4.16Å; F856-F860 WeakPolarHBondContact O-CB 3.33Å; F856-F860 PolarHBondContact O-N 3.1Å; F856-L863 HydrophobicContact CE2-CD2 4.5Å
857N75.9Confident81.1Confident63 Ų6335.9 Ų35.934%0.33720%0.203SC..Hα-helixtrans-62.2-36.6-176.7-53.6-75.8000112.7D854 N855 I859D854-N857 PolarHBondContact O-N 2.85Å; D854-N857 PolarHBondContact O-ND2 2.99Å; N855-N857 PolarHBondContact O-N 3.29Å; N857-I859 VanDerWaalsContact C-N 3.33Å
858S73.3Confident80.5Confident73 Ų7335.8 Ų35.851%0.5120%0.201SC..Hα-helixtrans-74.8-19.417637.50000114.3N855 F856N855-S858 PolarHBondContact O-N 3.13Å; N855-S858 PolarHBondContact O-OG 2.97Å; F856-S858 VanDerWaalsContact C-N 3.32Å; F856-S858 PolarHBondContact O-N 3.04Å
859I80.6Confident80.2Confident6 Ų639.1 Ų39.13%0.03122%0.219CC..Hα-helixtrans-96-31.4-178.7-60.1163.7000110.6L809 I813 Y816 L852 N855 F856 N857 N861 E862 L863L809-I859 HydrophobicContact CD1-CG2 3.57Å; I813-I859 HydrophobicContact CD1-CG2 4.11Å; I813-I859 HydrophobicContact CG1-CD1 4.49Å; I813-I859 HydrophobicContact CG1-CG2 3.71Å; Y816-I859 HydrophobicContact CD2-CD1 3.44Å; Y816-I859 VanDerWaalsContact CD2-CD1 3.44Å; Y816-I859 HydrophobicContact CD2-CG1 3.84Å; Y816-I859 HydrophobicContact CE2-CD1 4.02Å; Y816-I859 HydrophobicContact CE2-CG1 3.91Å; Y816-I859 HydrophobicContact CG-CD1 4Å; L852-I859 HydrophobicContact CD1-CD1 4.12Å; L852-I859 HydrophobicContact CD2-CD1 3.91Å; L852-I859 HydrophobicContact CG-CD1 4.45Å; N855-I859 HydrophobicContact CB-CD1 4.43Å; N855-I859 WeakPolarHBondContact O-CD1 3.47Å; N855-I859 VanDerWaalsContact O-CG1 3.31Å; N855-I859 WeakPolarHBondContact O-CG1 3.12Å; N855-I859 PolarHBondContact O-N 3.32Å; F856-I859 PolarHBondContact O-N 3.16Å; N857-I859 VanDerWaalsContact C-N 3.33Å; I859-N861 VanDerWaalsContact C-N 3.28Å; I859-N861 PolarHBondContact O-N 3.41Å; I859-E862 PolarHBondContact O-N 2.82Å; I859-L863 WeakPolarHBondContact O-CB 3.46Å; I859-L863 PolarHBondContact O-N 3.41Å
860F82.1Confident80.1Confident0 Ų038.6 Ų38.60%022%0.22CC..Hα-helixtrans-56.9-37.4-169.8-176.2-109.7000113.5F856 L863 L864 L876 H880 L918F856-F860 HydrophobicContact CE1-CB 4.45Å; F856-F860 AromaticContact CE1-CD2 3.84Å; F856-F860 HydrophobicContact CE1-CD2 3.84Å; F856-F860 HydrophobicContact CE1-CE2 4.42Å; F856-F860 HydrophobicContact CE1-CG 4.3Å; F856-F860 AromaticContact CE2-CD2 3.95Å; F856-F860 HydrophobicContact CE2-CD2 3.95Å; F856-F860 HydrophobicContact CZ-CB 4.4Å; F856-F860 AromaticContact CZ-CD2 3.33Å; F856-F860 HydrophobicContact CZ-CD2 3.33Å; F856-F860 AromaticContact CZ-CE2 3.9Å; F856-F860 HydrophobicContact CZ-CE2 3.9Å; F856-F860 HydrophobicContact CZ-CG 4.16Å; F856-F860 WeakPolarHBondContact O-CB 3.33Å; F856-F860 PolarHBondContact O-N 3.1Å; F860-L863 PolarHBondContact O-N 2.98Å; F860-L864 HydrophobicContact CE1-CD2 4.07Å; F860-L864 HydrophobicContact CZ-CD2 4.41Å; F860-L864 WeakPolarHBondContact O-CB 3.15Å; F860-L864 PolarHBondContact O-N 3.13Å; F860-L876 HydrophobicContact CE2-CD1 3.96Å; F860-L876 HydrophobicContact CE2-CD2 3.96Å; F860-L876 HydrophobicContact CE2-CG 3.71Å; F860-L876 HydrophobicContact CZ-CD1 4.33Å; F860-L876 HydrophobicContact CZ-CD2 4.47Å; F860-L876 HydrophobicContact CZ-CG 3.87Å; F860-H880 AromaticContact CD1-CD2 3.63Å; F860-H880 HydrophobicContact CE1-CB 3.69Å; F860-H880 AromaticContact CE1-CD2 3.39Å; F860-H880 WeakPolarHBondContact CE1-CD2 3.43Å; F860-H880 AromaticContact CE1-CG 3.56Å; F860-H880 HydrophobicContact CZ-CB 3.55Å; F860-H880 AromaticContact CZ-CD2 3.86Å; F860-H880 AromaticContact CZ-CG 3.92Å; F860-L918 HydrophobicContact CD1-CD1 3.98Å; F860-L918 HydrophobicContact CD1-CD2 4.4Å; F860-L918 HydrophobicContact CE1-CD1 3.78Å
861N83.1Confident79.9Confident36 Ų3634.1 Ų34.119%0.19320%0.204CC..Hα-helixtrans-65.1-50-175.5-55.5-8.9000111.6I859 L864 V865 L918I859-N861 VanDerWaalsContact C-N 3.28Å; I859-N861 PolarHBondContact O-N 3.41Å; N861-L864 PolarHBondContact O-N 2.77Å; N861-V865 WeakPolarHBondContact O-CG2 3.18Å; N861-V865 PolarHBondContact O-N 3.26Å; N861-L918 PolarHBondContact ND2-O 2.88Å; N861-L918 WeakPolarHBondContact OD1-CD2 3.39Å; N861-L918 PolarHBondContact OD1-O 2.76Å
862E84.3Confident79.9Confident65 Ų6533 Ų3330%0.30420%0.198SC..Hα-helixtrans-70-36.5175.2-71.3-63.8152.300111.8R805 L809 I859 L864 V865 L866R805-E862 WeakPolarHBondContact CD-OE2 3.48Å; R805-E862 IonicContact CZ-OE2 2.78Å; R805-E862 IonicContact NE-OE2 3.79Å; R805-E862 IonicContact NH1-OE1 2.86Å; R805-E862 PolarHBondContact NH1-OE1 3.1Å; R805-E862 IonicContact NH1-OE2 3.92Å; R805-E862 PolarHBondContact NH1-OE2 3.29Å; L809-E862 HydrophobicContact CD1-CB 4.25Å; I859-E862 PolarHBondContact O-N 2.82Å; E862-L864 PolarHBondContact O-N 2.92Å; E862-V865 PolarHBondContact O-N 3.15Å; E862-L866 VanDerWaalsContact O-CB 3.32Å; E862-L866 WeakPolarHBondContact O-CB 3.32Å; E862-L866 VanDerWaalsContact O-CG 3.27Å; E862-L866 WeakPolarHBondContact O-CG 3.28Å; E862-L866 PolarHBondContact O-N 3.47Å
863L84.3Confident80.1Confident16 Ų1632.7 Ų32.78%0.08420%0.196CC..Hα-helixtrans-60.4-32.2173.3-178.361.7000112.5L809 F827 F856 I859 F860 L867L809-L863 HydrophobicContact CD1-CB 4.42Å; L809-L863 HydrophobicContact CD2-CB 4.33Å; L809-L863 HydrophobicContact CD2-CD1 4.22Å; F827-L863 HydrophobicContact CE2-CD2 4.09Å; F827-L863 HydrophobicContact CZ-CD1 3.91Å; F827-L863 HydrophobicContact CZ-CD2 3.91Å; F856-L863 HydrophobicContact CE2-CD2 4.5Å; I859-L863 WeakPolarHBondContact O-CB 3.46Å; I859-L863 PolarHBondContact O-N 3.41Å; F860-L863 PolarHBondContact O-N 2.98Å; L863-L867 WeakPolarHBondContact O-CG 3.26Å
864L84.1Confident80.2Confident0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-78-46.1177-176.464.4000111.7F860 N861 E862 L866 L867 Q873 L876 L877 V929F860-L864 HydrophobicContact CE1-CD2 4.07Å; F860-L864 HydrophobicContact CZ-CD2 4.41Å; F860-L864 WeakPolarHBondContact O-CB 3.15Å; F860-L864 PolarHBondContact O-N 3.13Å; N861-L864 PolarHBondContact O-N 2.77Å; E862-L864 PolarHBondContact O-N 2.92Å; L864-L866 PolarHBondContact O-N 2.85Å; L864-L867 PolarHBondContact O-N 3.47Å; L864-Q873 HydrophobicContact CD1-CB 4.37Å; L864-Q873 WeakPolarHBondContact CD1-O 3.27Å; L864-Q873 WeakPolarHBondContact O-CG 3.28Å; L864-Q873 PolarHBondContact O-NE2 2.99Å; L864-L876 HydrophobicContact CD1-CB 3.94Å; L864-L876 HydrophobicContact CD1-CD2 4.11Å; L864-L876 HydrophobicContact CD1-CG 4.11Å; L864-L877 HydrophobicContact CD1-CB 4.49Å; L864-L877 HydrophobicContact CD2-CB 4.18Å; L864-L877 HydrophobicContact CD2-CD1 4.11Å; L864-V929 HydrophobicContact CD2-CG1 3.92Å; L864-V929 HydrophobicContact CG-CB 4.48Å; L864-V929 HydrophobicContact CG-CG1 4.12Å
865V84.3Confident80.9Confident1 Ų130.6 Ų30.61%0.00617%0.173CC..Hα-helixtrans-68-34.2-178.8173.30000112.3Y796 N861 E862 L867 Q873Y796-V865 PolarHBondContact OH-O 3.31Å; N861-V865 WeakPolarHBondContact O-CG2 3.18Å; N861-V865 PolarHBondContact O-N 3.26Å; E862-V865 PolarHBondContact O-N 3.15Å; V865-L867 VanDerWaalsContact C-N 3.34Å; V865-L867 PolarHBondContact O-N 2.99Å; V865-Q873 PolarHBondContact O-NE2 3.36Å
866L81.5Confident81.4Confident2 Ų227.4 Ų27.41%0.0116%0.156CC..THydrogen-bonded Turntrans-85.42.8-178.7-60.1173.4000114.5F802 R805 N806 L809 E862 L864 P868F802-L866 HydrophobicContact CD2-CD2 3.51Å; F802-L866 HydrophobicContact CE2-CB 4.17Å; F802-L866 HydrophobicContact CE2-CD2 3.88Å; F802-L866 HydrophobicContact CG-CD2 4.37Å; R805-L866 HydrophobicContact CB-CD1 4.02Å; R805-L866 HydrophobicContact CB-CD2 4.21Å; N806-L866 HydrophobicContact CB-CD1 4.38Å; L809-L866 HydrophobicContact CB-CD1 4.27Å; L809-L866 HydrophobicContact CD2-CD1 3.84Å; E862-L866 VanDerWaalsContact O-CB 3.32Å; E862-L866 WeakPolarHBondContact O-CB 3.32Å; E862-L866 VanDerWaalsContact O-CG 3.27Å; E862-L866 WeakPolarHBondContact O-CG 3.28Å; E862-L866 PolarHBondContact O-N 3.47Å; L864-L866 PolarHBondContact O-N 2.85Å; L866-P868 WeakPolarHBondContact O-CD 3.45Å
867L81.7Confident81.8Confident9 Ų927.3 Ų27.35%0.04716%0.156CC..  trans-72.6119.1172-91.2163.6000110.9Y796 F834 R835 L863 L864 V865 D869 Q873 L876Y796-L867 WeakPolarHBondContact CE2-O 3.33Å; F834-L867 HydrophobicContact CE1-CD1 4.12Å; R835-L867 HydrophobicContact CG-CD2 4.31Å; L863-L867 WeakPolarHBondContact O-CG 3.26Å; L864-L867 PolarHBondContact O-N 3.47Å; V865-L867 VanDerWaalsContact C-N 3.34Å; V865-L867 PolarHBondContact O-N 2.99Å; L867-D869 PolarHBondContact O-N 3.43Å; L867-Q873 HydrophobicContact CB-CG 3.91Å; L867-L876 HydrophobicContact CD1-CD2 3.65Å
868P72.6Confident82.1Confident26 Ų2627 Ų2717%0.16916%0.156CC..SBendtrans-79.125.5-171.336.8-42000114.4L501 Y796 L866L501-P868 HydrophobicContact CB-CG 4.08Å; L501-P868 HydrophobicContact CD2-CG 4.33Å; L501-P868 WeakPolarHBondContact O-CG 3.41Å; Y796-P868 HydrophobicContact CD1-CB 4.25Å; Y796-P868 HydrophobicContact CE1-CB 4.28Å; L866-P868 WeakPolarHBondContact O-CD 3.45Å
869D78.3Confident82.7Confident71 Ų7123.8 Ų23.838%0.3813%0.134SC..  trans-143.9109.1-175.1177.7-29.6000108.5L867 G871 K872 Q873L867-D869 PolarHBondContact O-N 3.43Å; D869-G871 VanDerWaalsContact C-N 3.26Å; D869-G871 PolarHBondContact O-N 2.84Å; D869-G871 WeakPolarHBondContact OD1-CA 3.42Å; D869-G871 PolarHBondContact OD1-N 3.05Å; D869-K872 HydrophobicContact CB-CB 3.98Å; D869-K872 HydrophobicContact CB-CG 4.08Å; D869-K872 PolarHBondContact O-N 3.17Å; D869-K872 PolarHBondContact OD1-N 2.85Å; D869-K872 WeakPolarHBondContact OD2-CG 3.2Å; D869-Q873 WeakPolarHBondContact O-CG 3.2Å; D869-Q873 PolarHBondContact O-N 2.91Å
870T81.3Confident82.8Confident33 Ų3323.7 Ų23.720%0.20213%0.134CC..Hα-helixtrans-66.2-26.9-175.953.90000113Y796 Q874 Q928Y796-T870 HydrophobicContact CD2-CG2 4.14Å; T870-Q874 PolarHBondContact O-N 3.2Å; T870-Q928 HydrophobicContact CG2-CB 3.7Å; T870-Q928 HydrophobicContact CG2-CG 3.94Å
871G80.4Confident82.8Confident35 Ų3524 Ų2436%0.36114%0.136SC..Hα-helixtrans-68.3-48171.400000111.1D869 Q873 Q874 E875D869-G871 VanDerWaalsContact C-N 3.26Å; D869-G871 PolarHBondContact O-N 2.84Å; D869-G871 WeakPolarHBondContact OD1-CA 3.42Å; D869-G871 PolarHBondContact OD1-N 3.05Å; G871-Q873 VanDerWaalsContact C-N 3.34Å; G871-Q873 PolarHBondContact O-N 3.32Å; G871-Q874 PolarHBondContact O-N 3.01Å; G871-Q874 VanDerWaalsContact O-N 3.15Å; G871-E875 PolarHBondContact O-N 3.22Å
872K83.4Confident82.8Confident16 Ų1627 Ų277%0.0715%0.152CC..Hα-helixtrans-66-32.7177.4-67.8-68.9169.3-1400113.3F834 S837 D869 E875 L876F834-K872 HydrophobicContact CD2-CD 4.36Å; F834-K872 HydrophobicContact CE1-CB 3.99Å; F834-K872 HydrophobicContact CE1-CD 4.12Å; F834-K872 HydrophobicContact CE2-CD 3.73Å; F834-K872 HydrophobicContact CZ-CB 3.96Å; F834-K872 HydrophobicContact CZ-CD 3.6Å; F834-K872 HydrophobicContact CZ-CG 4.35Å; S837-K872 WeakPolarHBondContact OG-CE 3.41Å; S837-K872 PolarHBondContact OG-NZ 3.24Å; D869-K872 HydrophobicContact CB-CB 3.98Å; D869-K872 HydrophobicContact CB-CG 4.08Å; D869-K872 PolarHBondContact O-N 3.17Å; D869-K872 PolarHBondContact OD1-N 2.85Å; D869-K872 WeakPolarHBondContact OD2-CG 3.2Å; K872-E875 IonicContact NZ-OE1 2.7Å; K872-E875 PolarHBondContact NZ-OE1 2.76Å; K872-E875 IonicContact NZ-OE2 3.11Å; K872-E875 PolarHBondContact NZ-OE2 3.21Å; K872-L876 VanDerWaalsContact O-CB 3.31Å; K872-L876 WeakPolarHBondContact O-CB 3.14Å; K872-L876 PolarHBondContact O-N 2.98Å
873Q85Confident82.6Confident0 Ų024.5 Ų24.50%014%0.141CC..Hα-helixtrans-59-50168.6-69.9-172.8-42.400111.6L864 V865 L867 D869 G871 L876 L877 V929L864-Q873 HydrophobicContact CD1-CB 4.37Å; L864-Q873 WeakPolarHBondContact CD1-O 3.27Å; L864-Q873 WeakPolarHBondContact O-CG 3.28Å; L864-Q873 PolarHBondContact O-NE2 2.99Å; V865-Q873 PolarHBondContact O-NE2 3.36Å; L867-Q873 HydrophobicContact CB-CG 3.91Å; D869-Q873 WeakPolarHBondContact O-CG 3.2Å; D869-Q873 PolarHBondContact O-N 2.91Å; G871-Q873 VanDerWaalsContact C-N 3.34Å; G871-Q873 PolarHBondContact O-N 3.32Å; Q873-L876 PolarHBondContact O-N 3.25Å; Q873-L877 WeakPolarHBondContact O-CB 3.38Å; Q873-L877 PolarHBondContact O-N 3.5Å; Q873-V929 HydrophobicContact CB-CB 4.25Å; Q873-V929 HydrophobicContact CB-CG2 3.84Å; Q873-V929 PolarHBondContact NE2-O 3.25Å
874Q82.2Confident82.4Confident39 Ų3926.1 Ų26.118%0.18215%0.148CC..Hα-helixtrans-68.1-36.7-178.7-174.961.58900112.5T870 G871 T878T870-Q874 PolarHBondContact O-N 3.2Å; G871-Q874 PolarHBondContact O-N 3.01Å; G871-Q874 VanDerWaalsContact O-N 3.15Å; Q874-T878 PolarHBondContact NE2-OG1 2.98Å; Q874-T878 WeakPolarHBondContact O-CB 3.43Å; Q874-T878 PolarHBondContact O-N 2.83Å; Q874-T878 PolarHBondContact O-OG1 2.98Å
875E86.9Confident82.1Confident83 Ų8328 Ų2839%0.38816%0.163SC..Hα-helixtrans-57.9-48.2170.9-74.6178.2-149.100111.5A841 G871 K872 T878 A879A841-E875 HydrophobicContact CB-CB 3.95Å; G871-E875 PolarHBondContact O-N 3.22Å; K872-E875 IonicContact NZ-OE1 2.7Å; K872-E875 PolarHBondContact NZ-OE1 2.76Å; K872-E875 IonicContact NZ-OE2 3.11Å; K872-E875 PolarHBondContact NZ-OE2 3.21Å; E875-T878 PolarHBondContact O-N 3.23Å; E875-A879 WeakPolarHBondContact O-CB 3.23Å; E875-A879 PolarHBondContact O-N 3.38Å
876L86.9Confident81.7Confident0 Ų033 Ų330%019%0.189CC..Hα-helixtrans-72.3-39.2-174.9-173.455.2000113.3F834 Y844 H845 F860 L864 L867 K872 Q873 T878 A879 H880F834-L876 HydrophobicContact CE1-CB 4.26Å; F834-L876 HydrophobicContact CE1-CD2 4.14Å; F834-L876 HydrophobicContact CZ-CB 4.04Å; Y844-L876 HydrophobicContact CD1-CD1 3.82Å; Y844-L876 HydrophobicContact CD1-CD2 4.03Å; Y844-L876 HydrophobicContact CE1-CD1 4.38Å; Y844-L876 HydrophobicContact CE1-CD2 3.79Å; H845-L876 HydrophobicContact CB-CD1 4.24Å; F860-L876 HydrophobicContact CE2-CD1 3.96Å; F860-L876 HydrophobicContact CE2-CD2 3.96Å; F860-L876 HydrophobicContact CE2-CG 3.71Å; F860-L876 HydrophobicContact CZ-CD1 4.33Å; F860-L876 HydrophobicContact CZ-CD2 4.47Å; F860-L876 HydrophobicContact CZ-CG 3.87Å; L864-L876 HydrophobicContact CD1-CB 3.94Å; L864-L876 HydrophobicContact CD1-CD2 4.11Å; L864-L876 HydrophobicContact CD1-CG 4.11Å; L867-L876 HydrophobicContact CD1-CD2 3.65Å; K872-L876 VanDerWaalsContact O-CB 3.31Å; K872-L876 WeakPolarHBondContact O-CB 3.14Å; K872-L876 PolarHBondContact O-N 2.98Å; Q873-L876 PolarHBondContact O-N 3.25Å; L876-T878 VanDerWaalsContact C-N 3.29Å; L876-T878 PolarHBondContact O-N 2.87Å; L876-A879 PolarHBondContact O-N 2.68Å; L876-H880 PolarHBondContact O-N 3.23Å
877L84.8Confident81.2Confident0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-60.2-39.5172.7178.159.2000111.8L864 Q873 A881 P911 A915 L918 V922 V929L864-L877 HydrophobicContact CD1-CB 4.49Å; L864-L877 HydrophobicContact CD2-CB 4.18Å; L864-L877 HydrophobicContact CD2-CD1 4.11Å; Q873-L877 WeakPolarHBondContact O-CB 3.38Å; Q873-L877 PolarHBondContact O-N 3.5Å; L877-A881 PolarHBondContact O-N 2.74Å; L877-A881 VanDerWaalsContact O-N 3.17Å; L877-P911 HydrophobicContact CD2-CB 4.2Å; L877-P911 HydrophobicContact CG-CB 4.46Å; L877-A915 HydrophobicContact CD2-CB 4.29Å; L877-L918 HydrophobicContact CD1-CD1 4.06Å; L877-V922 HydrophobicContact CD2-CG2 3.82Å; L877-V929 HydrophobicContact CD2-CG2 4.08Å
878T83.8Confident80.7Confident56 Ų5642.9 Ų42.934%0.34423%0.233SC..Hα-helixtrans-69.7-45.7177.9-47.50000110.9Q874 E875 L876 H880 A881 D882Q874-T878 PolarHBondContact NE2-OG1 2.98Å; Q874-T878 WeakPolarHBondContact O-CB 3.43Å; Q874-T878 PolarHBondContact O-N 2.83Å; Q874-T878 PolarHBondContact O-OG1 2.98Å; E875-T878 PolarHBondContact O-N 3.23Å; L876-T878 VanDerWaalsContact C-N 3.29Å; L876-T878 PolarHBondContact O-N 2.87Å; T878-H880 VanDerWaalsContact C-N 3.28Å; T878-H880 PolarHBondContact O-N 3.37Å; T878-A881 WeakPolarHBondContact O-CB 3.45Å; T878-A881 PolarHBondContact O-N 2.79Å; T878-D882 PolarHBondContact O-N 3.22Å
879A85.8Confident80.3Confident6 Ų648 Ų485%0.0526%0.255CS..Hα-helixtrans-60.5-34.9177.100000113.5A841 A842 E875 L876 C883A841-A879 HydrophobicContact CB-CB 3.61Å; A842-A879 HydrophobicContact CB-CB 4.2Å; E875-A879 WeakPolarHBondContact O-CB 3.23Å; E875-A879 PolarHBondContact O-N 3.38Å; L876-A879 PolarHBondContact O-N 2.68Å; A879-C883 WeakPolarHBondContact O-CB 3.31Å; A879-C883 PolarHBondContact O-N 3.39Å; A879-C883 PolarHBondContact O-SG 3.36Å
880H82.4Confident79.3Confident4 Ų448.7 Ų48.72%0.01927%0.265CS..Hα-helixtrans-65.8-44.4171.9174.4-75.9000111.9H845 F860 L876 T878 D882 C883 K884H845-H880 AromaticContact CD2-CD2 3.94Å; H845-H880 AromaticContact NE2-CD2 3.18Å; H845-H880 PolarHBondContact NE2-CD2 3.44Å; H845-H880 AromaticContact NE2-CG 3.6Å; F860-H880 AromaticContact CD1-CD2 3.63Å; F860-H880 HydrophobicContact CE1-CB 3.69Å; F860-H880 AromaticContact CE1-CD2 3.39Å; F860-H880 WeakPolarHBondContact CE1-CD2 3.43Å; F860-H880 AromaticContact CE1-CG 3.56Å; F860-H880 HydrophobicContact CZ-CB 3.55Å; F860-H880 AromaticContact CZ-CD2 3.86Å; F860-H880 AromaticContact CZ-CG 3.92Å; L876-H880 PolarHBondContact O-N 3.23Å; T878-H880 VanDerWaalsContact C-N 3.28Å; T878-H880 PolarHBondContact O-N 3.37Å; H880-D882 VanDerWaalsContact C-N 3.34Å; H880-D882 PolarHBondContact O-N 2.83Å; H880-C883 PolarHBondContact O-N 3.1Å; H880-K884 VanDerWaalsContact O-CB 3.32Å; H880-K884 WeakPolarHBondContact O-CB 3.4Å; H880-K884 PolarHBondContact O-N 3.11Å
881A82.5Confident77.7Confident5 Ų550.4 Ų50.44%0.04129%0.29CS..Hα-helixtrans-56.7-47.6176.100000111.7L877 T878 K884 A885 T914L877-A881 PolarHBondContact O-N 2.74Å; L877-A881 VanDerWaalsContact O-N 3.17Å; T878-A881 WeakPolarHBondContact O-CB 3.45Å; T878-A881 PolarHBondContact O-N 2.79Å; A881-K884 PolarHBondContact O-N 2.94Å; A881-A885 WeakPolarHBondContact O-CB 3.32Å; A881-A885 PolarHBondContact O-N 3.44Å; A881-T914 HydrophobicContact CB-CG2 3.67Å
882D81.7Confident76.1Confident101 Ų10152.7 Ų52.754%0.5431%0.305SS..Hα-helixtrans-64.8-44.2179.1-65.9-30.1000112.4T878 H880 A885 L886T878-D882 PolarHBondContact O-N 3.22Å; H880-D882 VanDerWaalsContact C-N 3.34Å; H880-D882 PolarHBondContact O-N 2.83Å; D882-A885 PolarHBondContact O-N 2.84Å; D882-L886 PolarHBondContact O-N 3.04Å
883C81.5Confident74.3Confident11 Ų1157.8 Ų57.87%0.07434%0.343CS..Hα-helixtrans-63.5-43.2176.9-67.20000111.5A879 H880 A885 L886 E887A879-C883 WeakPolarHBondContact O-CB 3.31Å; A879-C883 PolarHBondContact O-N 3.39Å; A879-C883 PolarHBondContact O-SG 3.36Å; H880-C883 PolarHBondContact O-N 3.1Å; C883-A885 VanDerWaalsContact C-N 3.33Å; C883-A885 PolarHBondContact O-N 2.92Å; C883-L886 PolarHBondContact O-N 3.19Å; C883-E887 WeakPolarHBondContact O-CG 3.23Å; C883-E887 PolarHBondContact O-N 3.46Å
884K78.5Confident72.2Confident50 Ų5061.7 Ų61.722%0.21738%0.383CS..Hα-helixtrans-67.8-31.2178.1-165.3169.5-172.5-178.60112.6H880 A881 K888 E917H880-K884 VanDerWaalsContact O-CB 3.32Å; H880-K884 WeakPolarHBondContact O-CB 3.4Å; H880-K884 PolarHBondContact O-N 3.11Å; A881-K884 PolarHBondContact O-N 2.94Å; K884-K888 WeakPolarHBondContact O-CG 3.36Å; K884-K888 PolarHBondContact O-N 3.43Å; K884-E917 WeakPolarHBondContact CE-OE1 3.36Å; K884-E917 VanDerWaalsContact CE-OE2 3.25Å; K884-E917 WeakPolarHBondContact CE-OE2 3.41Å; K884-E917 IonicContact NZ-OE1 2.72Å; K884-E917 PolarHBondContact NZ-OE1 3.06Å; K884-E917 VanDerWaalsContact NZ-OE1 3.11Å; K884-E917 IonicContact NZ-OE2 3.55Å; K884-E917 PolarHBondContact NZ-OE2 3.35Å
885A78.1Confident70Confident40 Ų4063.3 Ų63.333%0.33141%0.41SS..Hα-helixtrans-67.6-42.3171.600000112A881 D882 C883 K888 Q889A881-A885 WeakPolarHBondContact O-CB 3.32Å; A881-A885 PolarHBondContact O-N 3.44Å; D882-A885 PolarHBondContact O-N 2.84Å; C883-A885 VanDerWaalsContact C-N 3.33Å; C883-A885 PolarHBondContact O-N 2.92Å; A885-K888 PolarHBondContact O-N 3.34Å; A885-Q889 WeakPolarHBondContact O-CG 3.32Å; A885-Q889 PolarHBondContact O-N 2.87Å
886L76.8Confident67.8Low106 Ų10669.6 Ų69.656%0.55544%0.436SS*.Hα-helixtrans-66.3-41.3176.9-172.564.5000112.1D882 C883 K888 Q889 S890D882-L886 PolarHBondContact O-N 3.04Å; C883-L886 PolarHBondContact O-N 3.19Å; L886-K888 PolarHBondContact O-N 3.15Å; L886-Q889 WeakPolarHBondContact O-CB 3.09Å; L886-Q889 PolarHBondContact O-N 3.5Å; L886-Q889 VanDerWaalsContact O-N 3.11Å; L886-S890 PolarHBondContact O-N 3.02Å
887E70.8Confident65.8Low83 Ų8379.6 Ų79.639%0.38848%0.48SS..Hα-helixtrans-60.2-45.1175.2-75173-158.800111.6K849 C883 Q889 S890 G891K849-E887 IonicContact NZ-OE1 2.77Å; K849-E887 PolarHBondContact NZ-OE1 3.26Å; K849-E887 IonicContact NZ-OE2 3.71Å; K849-E887 PolarHBondContact NZ-OE2 2.83Å; C883-E887 WeakPolarHBondContact O-CG 3.23Å; C883-E887 PolarHBondContact O-N 3.46Å; E887-Q889 PolarHBondContact O-N 3.04Å; E887-S890 PolarHBondContact O-N 2.87Å; E887-S890 PolarHBondContact O-OG 3.5Å; E887-G891 PolarHBondContact O-N 2.99Å; E887-G891 VanDerWaalsContact O-N 3.11Å
888K71.4Confident63.3Low135 Ų13587.6 Ų87.659%0.58752%0.522SS*.Hα-helixtrans-60.9-24.4174.8-74.7173.2-179.5176.20113.5K884 A885 L886 E917K884-K888 WeakPolarHBondContact O-CG 3.36Å; K884-K888 PolarHBondContact O-N 3.43Å; A885-K888 PolarHBondContact O-N 3.34Å; L886-K888 PolarHBondContact O-N 3.15Å; K888-E917 IonicContact NZ-OE1 3.13Å; K888-E917 PolarHBondContact NZ-OE1 3.39Å
889Q63.3Low62Low134 Ų13494.3 Ų94.363%0.62655%0.547SS*.Hα-helixtrans-80.7-36.7172.2-66.7173.92100112.4A885 L886 E887A885-Q889 WeakPolarHBondContact O-CG 3.32Å; A885-Q889 PolarHBondContact O-N 2.87Å; L886-Q889 WeakPolarHBondContact O-CB 3.09Å; L886-Q889 PolarHBondContact O-N 3.5Å; L886-Q889 VanDerWaalsContact O-N 3.11Å; E887-Q889 PolarHBondContact O-N 3.04Å
890S57.2Low59.7Low85 Ų85101.3 Ų101.359%0.59458%0.583SS**Hα-helixtrans-70.1-34.7-179.372.80000113.6L886 E887 A892L886-S890 PolarHBondContact O-N 3.02Å; E887-S890 PolarHBondContact O-N 2.87Å; E887-S890 PolarHBondContact O-OG 3.5Å; S890-A892 PolarHBondContact O-N 3.25Å; S890-A892 VanDerWaalsContact O-N 3.08Å
891G49.2Very low57.9Low70 Ų70109.4 Ų109.472%0.72262%0.618SS**THydrogen-bonded Turntrans-68.5-3-176.600000116.5E887E887-G891 PolarHBondContact O-N 2.99Å; E887-G891 VanDerWaalsContact O-N 3.11Å
892A45.4Very low56.2Low82 Ų82118 Ų11868%0.67866%0.655SS**THydrogen-bonded Turntrans-91.20-174.400000115S890 G894S890-A892 PolarHBondContact O-N 3.25Å; S890-A892 VanDerWaalsContact O-N 3.08Å; A892-G894 VanDerWaalsContact C-N 3.32Å; A892-G894 PolarHBondContact O-N 3.44Å
893S45.5Very low54.1Low124 Ų124121.1 Ų121.187%0.86767%0.672SS**  trans-83.462.5-175.9-175.90000113.6
894G41.5Very low51.7Low81 Ų81125.1 Ų125.184%0.83571%0.705SS**SBendtrans-155.523.4-172.700000117.5A892A892-G894 VanDerWaalsContact C-N 3.32Å; A892-G894 PolarHBondContact O-N 3.44Å
895G35.7Very low49.5Very low73 Ų73135 Ų13575%0.75374%0.741SS**SBendtrans-150.5153.5-175.700000114.6
896K40.2Very low47.7Very low216 Ų216141.9 Ų141.994%0.93977%0.767SS**  trans-79.2148.1-176.2-72.8177-179.71720112.6
897K44.9Very low45.8Very low210 Ų210143.1 Ų143.191%0.91378%0.779SS**  trans-52.4135.9-179.5-60.5170.4-179171.90112.4
898N34.2Very low44.4Very low167 Ų167144.6 Ų144.689%0.89380%0.795SS**  trans-142.5144.4148.8-148.3-11.7000110.4
899K54.8Low43.4Very low198 Ų198140.8 Ų140.886%0.86179%0.789SS**  trans-103.2114.5-172.5-72.4-179.3177.5178.80111.1
900N39.1Very low43.2Very low152 Ų152138.1 Ų138.181%0.81378%0.782SS**  trans-155169.5147.8-133.6-27.4000115.2
901K44.3Very low43.2Very low175 Ų175136 Ų13676%0.76177%0.767SS**  trans-57.9146.5-163-71.7159.7-179.8172.80117.8
902K46.2Very low43.5Very low184 Ų184135.5 Ų135.580%0.876%0.756SS**  trans52.7101.2138.4-64.1-178.1176.3-1680118.5
903N37.4Very low44.1Very low168 Ų168137 Ų13790%0.89875%0.752SS**  -174126.5111.1-89.5-13000109.1
904A31.9Very low44.8Very low94 Ų94131.6 Ų131.678%0.77771%0.714SS**  trans-14756.3-169.300000113.4
905W32.3Very low45.7Very low257 Ų257127.9 Ų127.997%0.97368%0.675SS**  trans-12993.3158.3-77.276.3000106.9
906Q40Very low46.8Very low185 Ų185128 Ų12886%0.86467%0.67SS**PPolyproline II helixtrans-81.4128.6167.1-72.2-173.2-4.400108
907T36.9Very low48Very low133 Ų133122.1 Ų122.182%0.81665%0.645SS**PPolyproline II helixtrans-68.4144.4175.140.10000110.6
908P42.1Very low49Very low113 Ų113112.7 Ų112.773%0.73461%0.605SS**PPolyproline II helixtrans-63.9149.7176.627.6-34.9000111.3T910P908-T910 PolarHBondContact O-N 3.41Å
909A50.4Low50.6Low55 Ų55110.5 Ų110.546%0.45559%0.593SS.*  trans-74.195.1-179.200000111.3T914A909-T914 HydrophobicContact CB-CG2 4.45Å
910T58.2Low51.8Low78 Ų78101.4 Ų101.448%0.47955%0.554SS.*  trans-58.5133.9173.2-50.10000110.5P908 A912 N913P908-T910 PolarHBondContact O-N 3.41Å; T910-A912 HydrophobicContact CG2-CB 4.3Å; T910-A912 PolarHBondContact O-N 3.41Å; T910-N913 WeakPolarHBondContact O-CB 3.32Å; T910-N913 PolarHBondContact O-N 3.38Å
911P56.1Low53.7Low42 Ų4297.8 Ų97.827%0.27353%0.532SS..Hα-helixtrans-60.1-20.4-176.120.6-33.1000114.6L877 T914 A915L877-P911 HydrophobicContact CD2-CB 4.2Å; L877-P911 HydrophobicContact CG-CB 4.46Å; P911-T914 PolarHBondContact O-OG1 3.1Å; P911-A915 VanDerWaalsContact O-CB 3.31Å; P911-A915 WeakPolarHBondContact O-CB 3.31Å; P911-A915 PolarHBondContact O-N 3Å
912A56Low55.5Low59 Ų5991.1 Ų91.149%0.48851%0.506SS..Hα-helixtrans-64.8-37.4171.600000112.9T910 A916T910-A912 HydrophobicContact CG2-CB 4.3Å; T910-A912 PolarHBondContact O-N 3.41Å; A912-A916 PolarHBondContact O-N 3.01Å
913N58.7Low57.3Low112 Ų11282.5 Ų82.560%0.59947%0.469SS*.Hα-helixtrans-73.1-34.8-179.5-67.13.6000111.4T910 E917T910-N913 WeakPolarHBondContact O-CB 3.32Å; T910-N913 PolarHBondContact O-N 3.38Å; N913-E917 PolarHBondContact O-N 3.47Å
914T60.8Low59.1Low11 Ų1179 Ų797%0.06746%0.455CS..Hα-helixtrans-81.4-27.217751.80000113A881 A909 P911 A916 E917 L918A881-T914 HydrophobicContact CB-CG2 3.67Å; A909-T914 HydrophobicContact CB-CG2 4.45Å; P911-T914 PolarHBondContact O-OG1 3.1Å; T914-A916 VanDerWaalsContact C-N 3.34Å; T914-E917 PolarHBondContact O-N 2.88Å; T914-L918 VanDerWaalsContact O-CG 3.29Å; T914-L918 WeakPolarHBondContact O-CG 3.46Å; T914-L918 PolarHBondContact O-N 2.91Å
915A60Low61.3Low3 Ų379.2 Ų79.23%0.02545%0.447CS..Hα-helixtrans-62.5-42.5168.100000111.2L877 P911 E917 L918 D919 C920 V922L877-A915 HydrophobicContact CD2-CB 4.29Å; P911-A915 VanDerWaalsContact O-CB 3.31Å; P911-A915 WeakPolarHBondContact O-CB 3.31Å; P911-A915 PolarHBondContact O-N 3Å; A915-E917 VanDerWaalsContact C-N 3.25Å; A915-E917 PolarHBondContact O-N 2.58Å; A915-L918 CarbonylContact O-C 3.59Å; A915-L918 PolarHBondContact O-N 3.01Å; A915-D919 PolarHBondContact O-N 2.72Å; A915-C920 CarbonylContact C-O 3.53Å; A915-C920 VanDerWaalsContact C-O 3.23Å; A915-C920 HydrophobicContact CB-CB 4.21Å; A915-C920 WeakPolarHBondContact CB-O 3.25Å; A915-C920 PolarHBondContact O-N 2.74Å; A915-C920 VanDerWaalsContact O-O 3.09Å; A915-V922 HydrophobicContact CB-CG2 4.02Å
916A58.9Low63.6Low77 Ų7768 Ų6864%0.63641%0.408SS*.Hα-helixtrans-66.4-20.6174.800000114.4A912 T914 L918A912-A916 PolarHBondContact O-N 3.01Å; T914-A916 VanDerWaalsContact C-N 3.34Å; A916-L918 VanDerWaalsContact C-N 3.3Å
917E64.5Low65.5Low92 Ų9264.9 Ų64.943%0.4339%0.388SS..THydrogen-bonded Turntrans-88.33.2173.1-150.4-168.1-172.800112.3K884 K888 N913 T914 A915K884-E917 WeakPolarHBondContact CE-OE1 3.36Å; K884-E917 VanDerWaalsContact CE-OE2 3.25Å; K884-E917 WeakPolarHBondContact CE-OE2 3.41Å; K884-E917 IonicContact NZ-OE1 2.72Å; K884-E917 PolarHBondContact NZ-OE1 3.06Å; K884-E917 VanDerWaalsContact NZ-OE1 3.11Å; K884-E917 IonicContact NZ-OE2 3.55Å; K884-E917 PolarHBondContact NZ-OE2 3.35Å; K888-E917 IonicContact NZ-OE1 3.13Å; K888-E917 PolarHBondContact NZ-OE1 3.39Å; N913-E917 PolarHBondContact O-N 3.47Å; T914-E917 PolarHBondContact O-N 2.88Å; A915-E917 VanDerWaalsContact C-N 3.25Å; A915-E917 PolarHBondContact O-N 2.58Å
918L65.6Low67.8Low11 Ų1158.5 Ų58.56%0.05835%0.349CS..THydrogen-bonded Turntrans-133.319.5-175.4-67.8177.1000112.7F860 N861 L877 T914 A915 A916 C920F860-L918 HydrophobicContact CD1-CD1 3.98Å; F860-L918 HydrophobicContact CD1-CD2 4.4Å; F860-L918 HydrophobicContact CE1-CD1 3.78Å; N861-L918 PolarHBondContact ND2-O 2.88Å; N861-L918 WeakPolarHBondContact OD1-CD2 3.39Å; N861-L918 PolarHBondContact OD1-O 2.76Å; L877-L918 HydrophobicContact CD1-CD1 4.06Å; T914-L918 VanDerWaalsContact O-CG 3.29Å; T914-L918 WeakPolarHBondContact O-CG 3.46Å; T914-L918 PolarHBondContact O-N 2.91Å; A915-L918 CarbonylContact O-C 3.59Å; A915-L918 PolarHBondContact O-N 3.01Å; A916-L918 VanDerWaalsContact C-N 3.3Å; L918-C920 PolarHBondContact O-N 2.85Å; L918-C920 PolarHBondContact O-SG 3.22Å
919D67.8Low69.8Low122 Ų12253.1 Ų53.165%0.65232%0.315SS*.THydrogen-bonded Turntrans47.732.8-173.8-66.7-40.1000113.8A915 P932A915-D919 PolarHBondContact O-N 2.72Å; D919-P932 HydrophobicContact CB-CG 4.47Å; D919-P932 WeakPolarHBondContact O-CD 3.22Å; D919-P932 WeakPolarHBondContact O-CG 3.3Å
920C80.6Confident71.3Confident6 Ų650.6 Ų50.64%0.04129%0.293CS..  trans-115.1150-178-73.30000111A915 L918 V929 L930A915-C920 CarbonylContact C-O 3.53Å; A915-C920 VanDerWaalsContact C-O 3.23Å; A915-C920 HydrophobicContact CB-CB 4.21Å; A915-C920 WeakPolarHBondContact CB-O 3.25Å; A915-C920 PolarHBondContact O-N 2.74Å; A915-C920 VanDerWaalsContact O-O 3.09Å; L918-C920 PolarHBondContact O-N 2.85Å; L918-C920 PolarHBondContact O-SG 3.22Å; C920-V929 HydrophobicContact CB-CG1 3.9Å; C920-L930 WeakPolarHBondContact CA-O 3.08Å
921Q78.9Confident72.5Confident76 Ų7647.3 Ų47.336%0.35527%0.274SS..EExtended strand (participates in β ladder)trans-126.3131.3174.2-60.3-170.220.100110.3L930 F935Q921-L930 PolarHBondContact N-O 3.11Å; Q921-L930 PolarHBondContact O-N 3.23Å; Q921-F935 HydrophobicContact CB-CB 4.42Å; Q921-F935 HydrophobicContact CB-CD2 3.55Å; Q921-F935 HydrophobicContact CB-CE2 3.99Å; Q921-F935 HydrophobicContact CB-CG 4.09Å; Q921-F935 VanDerWaalsContact OE1-CD1 3.28Å; Q921-F935 VanDerWaalsContact OE1-CG 3.25Å
922V82.2Confident73.6Confident35 Ų3548 Ų4821%0.21228%0.279CS..EExtended strand (participates in β ladder)trans-91.6120.6178-172.80000108.6L877 A915 V929L877-V922 HydrophobicContact CD2-CG2 3.82Å; A915-V922 HydrophobicContact CB-CG2 4.02Å; V922-V929 HydrophobicContact CG2-CG2 4.37Å
923C83.1Confident74.7Confident4 Ų454 Ų543%0.02729%0.294CS..  trans-61.6123.3177.5-178.10000110.3T925 R927 Q928 L930C923-T925 PolarHBondContact O-N 3.5Å; C923-R927 WeakPolarHBondContact O-CA 3.41Å; C923-R927 PolarHBondContact O-N 2.59Å; C923-Q928 PolarHBondContact N-O 2.89Å; C923-L930 HydrophobicContact CB-CD1 4.15Å
924P77Confident75.7Confident93 Ų9349.6 Ų49.660%0.60427%0.27SS*.THydrogen-bonded Turntrans-67.1-23.8-178.327.3-34.8000112.9
925T76.8Confident76.6Confident99 Ų9950.6 Ų50.661%0.60727%0.273SS*.THydrogen-bonded Turntrans-83-60.6-177.4-43.50000112C923 H942C923-T925 PolarHBondContact O-N 3.5Å; T925-H942 WeakPolarHBondContact CG2-ND1 3.49Å
926C81.3Confident77.6Confident22 Ų2255.7 Ų55.715%0.14930%0.3CS..THydrogen-bonded Turntrans-103.4-0.2-175.167.50000115.4Q928 H938 H942C926-Q928 PolarHBondContact O-N 2.82Å; C926-Q928 VanDerWaalsContact O-N 3.09Å; C926-Q928 VanDerWaalsContact SG-CB 3.55Å; C926-H938 PolarHBondContact SG-NE2 3.42Å; C926-H942 PolarHBondContact SG-NE2 3.37Å
927R79.9Confident78.5Confident119 Ų11954.4 Ų54.445%0.44929%0.287SS..  trans60.97.1-176.4-54.9-54.7-168.297.64.3116.7C923C923-R927 WeakPolarHBondContact O-CA 3.41Å; C923-R927 PolarHBondContact O-N 2.59Å
928Q85Confident79.3Confident0 Ų050.5 Ų50.50%027%0.268CS..  trans-58.7138.4170.7-171.8168.2-22.600111.1Y796 L797 T870 C923 C926 L930 H938Y796-Q928 HydrophobicContact CD2-CG 4.22Å; Y796-Q928 HydrophobicContact CE2-CG 4.3Å; L797-Q928 PolarHBondContact O-NE2 2.77Å; T870-Q928 HydrophobicContact CG2-CB 3.7Å; T870-Q928 HydrophobicContact CG2-CG 3.94Å; C923-Q928 PolarHBondContact N-O 2.89Å; C926-Q928 PolarHBondContact O-N 2.82Å; C926-Q928 VanDerWaalsContact O-N 3.09Å; C926-Q928 VanDerWaalsContact SG-CB 3.55Å; Q928-L930 HydrophobicContact CG-CD2 3.97Å; Q928-L930 HydrophobicContact CG-CG 4.24Å; Q928-H938 PolarHBondContact OE1-CE1 2.83Å
929V83.8Confident80Confident0 Ų055.3 Ų55.30%029%0.289CS..EExtended strand (participates in β ladder)trans-91.9130173.8-173.40000108.9L864 Q873 L877 C920 V922L864-V929 HydrophobicContact CD2-CG1 3.92Å; L864-V929 HydrophobicContact CG-CB 4.48Å; L864-V929 HydrophobicContact CG-CG1 4.12Å; Q873-V929 HydrophobicContact CB-CB 4.25Å; Q873-V929 HydrophobicContact CB-CG2 3.84Å; Q873-V929 PolarHBondContact NE2-O 3.25Å; L877-V929 HydrophobicContact CD2-CG2 4.08Å; C920-V929 HydrophobicContact CB-CG1 3.9Å; V922-V929 HydrophobicContact CG2-CG2 4.37Å
930L83.1Confident80.4Confident1 Ų153.2 Ų53.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-134.9152.4-167.8-63.4164000111.2C920 Q921 C923 Q928 D934 F935 H938C920-L930 WeakPolarHBondContact CA-O 3.08Å; Q921-L930 PolarHBondContact N-O 3.11Å; Q921-L930 PolarHBondContact O-N 3.23Å; C923-L930 HydrophobicContact CB-CD1 4.15Å; Q928-L930 HydrophobicContact CG-CD2 3.97Å; Q928-L930 HydrophobicContact CG-CG 4.24Å; L930-D934 HydrophobicContact CB-CB 4.39Å; L930-D934 HydrophobicContact CD2-CB 4.33Å; L930-F935 HydrophobicContact CD1-CD2 4.18Å; L930-H938 HydrophobicContact CD1-CB 3.78Å; L930-H938 WeakPolarHBondContact CD1-CD2 3.4Å; L930-H938 HydrophobicContact CD2-CB 4.47Å
931A83.2Confident80.1Confident10 Ų1056.9 Ų56.98%0.08330%0.3CS..  trans-72.8159.6166.800000110.3K933 D934 F935A931-K933 PolarHBondContact O-N 2.93Å; A931-D934 WeakPolarHBondContact CB-OD2 3.17Å; A931-D934 PolarHBondContact N-OD2 3.03Å; A931-D934 PolarHBondContact O-N 3.43Å; A931-D934 VanDerWaalsContact O-N 3.13Å; A931-F935 PolarHBondContact O-N 3.36Å; A931-F935 VanDerWaalsContact O-N 3.1Å
932P78.9Confident79.8Confident56 Ų5654 Ų5436%0.36429%0.286SS..THydrogen-bonded Turntrans-69.3-22.7-172.7-18.534.9000112.6D919D919-P932 HydrophobicContact CB-CG 4.47Å; D919-P932 WeakPolarHBondContact O-CD 3.22Å; D919-P932 WeakPolarHBondContact O-CG 3.3Å
933K77.8Confident79Confident186 Ų18656.1 Ų56.181%0.80930%0.295SS*.THydrogen-bonded Turntrans-69.6-48.1173.1-60175.3-176.6172.50110.8A931 F935A931-K933 PolarHBondContact O-N 2.93Å; K933-F935 VanDerWaalsContact C-N 3.32Å; K933-F935 PolarHBondContact O-N 3.15Å
934D80.4Confident77.7Confident18 Ų1860.9 Ų60.910%0.09633%0.325CS..Hα-helixtrans-68.8-29.1-178.4-46.6-26.9000112.7R805 L930 A931 N936 S937 H938R805-D934 IonicContact CZ-OD1 3.5Å; R805-D934 IonicContact CZ-OD2 3.57Å; R805-D934 IonicContact NH1-OD2 3.04Å; R805-D934 IonicContact NH2-OD1 2.72Å; R805-D934 PolarHBondContact NH2-OD1 3.33Å; R805-D934 IonicContact NH2-OD2 3.89Å; R805-D934 PolarHBondContact NH2-OD2 2.86Å; L930-D934 HydrophobicContact CB-CB 4.39Å; L930-D934 HydrophobicContact CD2-CB 4.33Å; A931-D934 WeakPolarHBondContact CB-OD2 3.17Å; A931-D934 PolarHBondContact N-OD2 3.03Å; A931-D934 PolarHBondContact O-N 3.43Å; A931-D934 VanDerWaalsContact O-N 3.13Å; D934-N936 VanDerWaalsContact C-N 3.26Å; D934-N936 PolarHBondContact O-N 3.39Å; D934-S937 PolarHBondContact O-N 2.69Å; D934-S937 PolarHBondContact O-OG 2.76Å; D934-S937 VanDerWaalsContact O-OG 3.08Å; D934-H938 WeakPolarHBondContact O-CB 3.34Å; D934-H938 PolarHBondContact O-N 3.39Å
935F80.7Confident76.4Confident32 Ų3261.7 Ų61.714%0.1432%0.32CS..Hα-helixtrans-57.9-37-172-174.9-94000113Q921 L930 A931 K933 K939Q921-F935 HydrophobicContact CB-CB 4.42Å; Q921-F935 HydrophobicContact CB-CD2 3.55Å; Q921-F935 HydrophobicContact CB-CE2 3.99Å; Q921-F935 HydrophobicContact CB-CG 4.09Å; Q921-F935 VanDerWaalsContact OE1-CD1 3.28Å; Q921-F935 VanDerWaalsContact OE1-CG 3.25Å; L930-F935 HydrophobicContact CD1-CD2 4.18Å; A931-F935 PolarHBondContact O-N 3.36Å; A931-F935 VanDerWaalsContact O-N 3.1Å; K933-F935 VanDerWaalsContact C-N 3.32Å; K933-F935 PolarHBondContact O-N 3.15Å; F935-K939 HydrophobicContact CE1-CD 4.29Å; F935-K939 WeakPolarHBondContact O-CB 3.05Å; F935-K939 PolarHBondContact O-N 3.5Å
936N79.4Confident74.9Confident110 Ų11060.1 Ų60.159%0.58831%0.313SS*.Hα-helixtrans-73.6-44.2-178.2-72.8-39.7000112.8D934 K939 T940D934-N936 VanDerWaalsContact C-N 3.26Å; D934-N936 PolarHBondContact O-N 3.39Å; N936-K939 PolarHBondContact O-N 3.39Å; N936-T940 PolarHBondContact O-N 2.8Å
937S79.1Confident73.2Confident51 Ų5167 Ų6736%0.35734%0.343SS..Hα-helixtrans-65.8-46.6174.951.90000110.7D934 K939 T940 L941D934-S937 PolarHBondContact O-N 2.69Å; D934-S937 PolarHBondContact O-OG 2.76Å; D934-S937 VanDerWaalsContact O-OG 3.08Å; S937-K939 VanDerWaalsContact C-N 3.28Å; S937-K939 PolarHBondContact O-N 2.81Å; S937-T940 PolarHBondContact O-N 3.39Å; S937-T940 PolarHBondContact O-OG1 2.92Å; S937-L941 PolarHBondContact O-N 2.82Å
938H81.8Confident71.6Confident9 Ų969.5 Ų69.54%0.04236%0.36CS..Hα-helixtrans-57.2-39.8175-175.9101.8000112.5C926 Q928 L930 D934 T940 L941 H942C926-H938 PolarHBondContact SG-NE2 3.42Å; Q928-H938 PolarHBondContact OE1-CE1 2.83Å; L930-H938 HydrophobicContact CD1-CB 3.78Å; L930-H938 WeakPolarHBondContact CD1-CD2 3.4Å; L930-H938 HydrophobicContact CD2-CB 4.47Å; D934-H938 WeakPolarHBondContact O-CB 3.34Å; D934-H938 PolarHBondContact O-N 3.39Å; H938-T940 VanDerWaalsContact C-N 3.31Å; H938-T940 PolarHBondContact O-N 2.8Å; H938-L941 WeakPolarHBondContact O-CB 3.45Å; H938-L941 PolarHBondContact O-N 3.17Å; H938-H942 AromaticContact CD2-CD2 3.45Å; H938-H942 PolarHBondContact CD2-CD2 3.31Å; H938-H942 VanDerWaalsContact CD2-CD2 3.45Å; H938-H942 AromaticContact CD2-NE2 3.42Å; H938-H942 PolarHBondContact CD2-NE2 2.92Å; H938-H942 AromaticContact CE1-NE2 3.68Å; H938-H942 AromaticContact NE2-CD2 3.46Å; H938-H942 PolarHBondContact NE2-CD2 3.04Å; H938-H942 AromaticContact NE2-NE2 2.89Å; H938-H942 PolarHBondContact NE2-NE2 2.81Å; H938-H942 PolarHBondContact O-CD2 2.87Å; H938-H942 VanDerWaalsContact O-CD2 3.27Å; H938-H942 PolarHBondContact O-N 2.89Å
939K78.9Confident69.1Low112 Ų11277.3 Ų77.349%0.48739%0.394SS..Hα-helixtrans-62.9-35.1175-176.9-179.7176.3-171.90112.3F935 N936 S937 L941 H942 I943F935-K939 HydrophobicContact CE1-CD 4.29Å; F935-K939 WeakPolarHBondContact O-CB 3.05Å; F935-K939 PolarHBondContact O-N 3.5Å; N936-K939 PolarHBondContact O-N 3.39Å; S937-K939 VanDerWaalsContact C-N 3.28Å; S937-K939 PolarHBondContact O-N 2.81Å; K939-L941 VanDerWaalsContact C-N 3.32Å; K939-L941 PolarHBondContact O-N 2.75Å; K939-H942 PolarHBondContact O-N 3.02Å; K939-I943 HydrophobicContact CG-CD1 4.19Å; K939-I943 WeakPolarHBondContact O-CG1 3.36Å; K939-I943 PolarHBondContact O-N 3.15Å
940T77.3Confident67Low78 Ų7881.7 Ų81.748%0.47942%0.422SS..Hα-helixtrans-66.8-32.2175.5610000113.1N936 S937 H938 I943 T944N936-T940 PolarHBondContact O-N 2.8Å; S937-T940 PolarHBondContact O-N 3.39Å; S937-T940 PolarHBondContact O-OG1 2.92Å; H938-T940 VanDerWaalsContact C-N 3.31Å; H938-T940 PolarHBondContact O-N 2.8Å; T940-I943 WeakPolarHBondContact O-CB 3.24Å; T940-I943 PolarHBondContact O-N 3.11Å; T940-T944 PolarHBondContact O-N 2.76Å; T940-T944 PolarHBondContact O-OG1 2.93Å
941L74.5Confident65.4Low84 Ų8485.3 Ų85.344%0.4445%0.448SS..Hα-helixtrans-63.1-44.9174.3-59.1176.1000111.5L797 S937 H938 K939 I943 T944 E945L797-L941 HydrophobicContact CD1-CB 4.22Å; L797-L941 HydrophobicContact CD1-CD1 3.97Å; S937-L941 PolarHBondContact O-N 2.82Å; H938-L941 WeakPolarHBondContact O-CB 3.45Å; H938-L941 PolarHBondContact O-N 3.17Å; K939-L941 VanDerWaalsContact C-N 3.32Å; K939-L941 PolarHBondContact O-N 2.75Å; L941-I943 VanDerWaalsContact C-N 3.31Å; L941-I943 PolarHBondContact O-N 3.08Å; L941-T944 WeakPolarHBondContact CA-OG1 3.23Å; L941-T944 PolarHBondContact O-N 2.99Å; L941-T944 PolarHBondContact O-OG1 3.4Å; L941-E945 PolarHBondContact O-N 3.33Å; L941-E945 VanDerWaalsContact O-N 3.1Å
942H72.1Confident63.4Low14 Ų1492 Ų927%0.06548%0.482CS..Hα-helixtrans-63.6-35.2172.7-71-70.4000112.6T925 C926 H938 K939 E945 S946T925-H942 WeakPolarHBondContact CG2-ND1 3.49Å; C926-H942 PolarHBondContact SG-NE2 3.37Å; H938-H942 AromaticContact CD2-CD2 3.45Å; H938-H942 PolarHBondContact CD2-CD2 3.31Å; H938-H942 VanDerWaalsContact CD2-CD2 3.45Å; H938-H942 AromaticContact CD2-NE2 3.42Å; H938-H942 PolarHBondContact CD2-NE2 2.92Å; H938-H942 AromaticContact CE1-NE2 3.68Å; H938-H942 AromaticContact NE2-CD2 3.46Å; H938-H942 PolarHBondContact NE2-CD2 3.04Å; H938-H942 AromaticContact NE2-NE2 2.89Å; H938-H942 PolarHBondContact NE2-NE2 2.81Å; H938-H942 PolarHBondContact O-CD2 2.87Å; H938-H942 VanDerWaalsContact O-CD2 3.27Å; H938-H942 PolarHBondContact O-N 2.89Å; K939-H942 PolarHBondContact O-N 3.02Å; H942-E945 PolarHBondContact O-N 2.85Å; H942-S946 WeakPolarHBondContact O-CB 3.47Å; H942-S946 PolarHBondContact O-N 2.74Å; H942-S946 PolarHBondContact O-OG 3.25Å
943I64.9Low61.7Low81 Ų8195.9 Ų95.942%0.41550%0.495SS..Hα-helixtrans-62.3-48.1175.5-70.4164.9000109.9K939 T940 L941 E945 S946 E947K939-I943 HydrophobicContact CG-CD1 4.19Å; K939-I943 WeakPolarHBondContact O-CG1 3.36Å; K939-I943 PolarHBondContact O-N 3.15Å; T940-I943 WeakPolarHBondContact O-CB 3.24Å; T940-I943 PolarHBondContact O-N 3.11Å; L941-I943 VanDerWaalsContact C-N 3.31Å; L941-I943 PolarHBondContact O-N 3.08Å; I943-E945 VanDerWaalsContact C-N 3.31Å; I943-E945 PolarHBondContact O-N 3.32Å; I943-S946 WeakPolarHBondContact CA-OG 3.49Å; I943-S946 PolarHBondContact O-N 3.17Å; I943-S946 VanDerWaalsContact O-N 3.08Å; I943-S946 PolarHBondContact O-OG 3.06Å; I943-E947 PolarHBondContact O-N 3.06Å
944T56.4Low59.8Low104 Ų10489.6 Ų89.664%0.63848%0.475SS*.Hα-helixtrans-64.6-28.1178.846.10000114.5T940 L941T940-T944 PolarHBondContact O-N 2.76Å; T940-T944 PolarHBondContact O-OG1 2.93Å; L941-T944 WeakPolarHBondContact CA-OG1 3.23Å; L941-T944 PolarHBondContact O-N 2.99Å; L941-T944 PolarHBondContact O-OG1 3.4Å
945E50.3Low58.1Low110 Ų11092.5 Ų92.551%0.51449%0.489SS..Hα-helixtrans-80.8-31.3170.6-67.8-174.4166.600112.3L941 H942 I943 E947 E948L941-E945 PolarHBondContact O-N 3.33Å; L941-E945 VanDerWaalsContact O-N 3.1Å; H942-E945 PolarHBondContact O-N 2.85Å; I943-E945 VanDerWaalsContact C-N 3.31Å; I943-E945 PolarHBondContact O-N 3.32Å; E945-E947 PolarHBondContact O-N 3.28Å; E945-E948 PolarHBondContact O-N 2.89Å
946S44.6Very low56.1Low66 Ų6694.7 Ų94.746%0.46251%0.509SS..Hα-helixtrans-83-6.7-174.272.20000116.1H942 I943 E948H942-S946 WeakPolarHBondContact O-CB 3.47Å; H942-S946 PolarHBondContact O-N 2.74Å; H942-S946 PolarHBondContact O-OG 3.25Å; I943-S946 WeakPolarHBondContact CA-OG 3.49Å; I943-S946 PolarHBondContact O-N 3.17Å; I943-S946 VanDerWaalsContact O-N 3.08Å; I943-S946 PolarHBondContact O-OG 3.06Å; S946-E948 PolarHBondContact O-N 3.28Å
947E44.6Very low54.4Low167 Ų16799 Ų9978%0.7852%0.517SS*.THydrogen-bonded Turntrans-60.3-24.1166.5-69.8-86.9119.900110.8I943 E945 F949I943-E947 PolarHBondContact O-N 3.06Å; E945-E947 PolarHBondContact O-N 3.28Å; E947-F949 VanDerWaalsContact C-N 3.29Å; E947-F949 PolarHBondContact O-N 3.2Å
948E46.9Very low52.9Low171 Ų171103.5 Ų103.580%0.79954%0.535SS*.SBendtrans-82.471170.3-161.9162.7-146.700112E945 S946E945-E948 PolarHBondContact O-N 2.89Å; S946-E948 PolarHBondContact O-N 3.28Å
949F33.7Very low51Low164 Ų164109.5 Ų109.572%0.71957%0.566SS**  trans71.9116.5175-73.8-94.3000118.4E947E947-F949 VanDerWaalsContact C-N 3.29Å; E947-F949 PolarHBondContact O-N 3.2Å
950P38.5Very low48.9Very low91 Ų91112 Ų11259%0.59160%0.597SS**  trans-74.1128.3169.730.4-33.7000112
951S50.2Low47.4Very low78 Ų78113.7 Ų113.755%0.54560%0.603SS.*  trans-69.7148.3176.181.50000112.8Q953 S954S951-Q953 PolarHBondContact O-N 3.17Å; S951-S954 PolarHBondContact O-N 3Å; S951-S954 VanDerWaalsContact O-N 3.14Å; S951-S954 PolarHBondContact O-OG 3.19Å
952L40.8Very low46Very low150 Ų150115.2 Ų115.279%0.78561%0.612SS**Hα-helixtrans-57.3-18.6-175.7-64173.3000115.1I955L952-I955 HydrophobicContact CD2-CD1 4.29Å
953Q42.9Very low44.6Very low137 Ų137120.8 Ų120.864%0.6464%0.642SS**Hα-helixtrans-76.4-23.6179.9-69.2-171.5-7.300114.2S951S951-Q953 PolarHBondContact O-N 3.17Å
954S38.8Very low43.4Very low55 Ų55123.2 Ų123.239%0.38566%0.656SS.*Hα-helixtrans-74.8-38.617556.90000111.4S951 S956 R957S951-S954 PolarHBondContact O-N 3Å; S951-S954 VanDerWaalsContact O-N 3.14Å; S951-S954 PolarHBondContact O-OG 3.19Å; S954-S956 VanDerWaalsContact C-N 3.29Å; S954-S956 PolarHBondContact O-N 3.39Å; S954-R957 PolarHBondContact O-N 3.43Å
955I44.8Very low42.6Very low79 Ų79124.4 Ų124.441%0.40566%0.657SS.*Hα-helixtrans-56.5-44176.2-57.8177000110.7L952 R957 I958 I959L952-I955 HydrophobicContact CD2-CD1 4.29Å; I955-R957 PolarHBondContact O-N 3.38Å; I955-R957 VanDerWaalsContact O-N 3.1Å; I955-I958 PolarHBondContact O-N 2.96Å; I955-I958 VanDerWaalsContact O-N 3.11Å; I955-I959 HydrophobicContact CG2-CD1 3.75Å; I955-I959 WeakPolarHBondContact O-CG1 3.42Å
956S36.9Very low42Very low78 Ų78125.3 Ų125.355%0.54567%0.666SS.*THydrogen-bonded Turntrans-60.1-21.3178.3-173.70000114.6S954 S960S954-S956 VanDerWaalsContact C-N 3.29Å; S954-S956 PolarHBondContact O-N 3.39Å; S956-S960 PolarHBondContact O-OG 3.48Å
957R44.4Very low41.9Very low200 Ų200129.6 Ų129.676%0.75568%0.681SS**THydrogen-bonded Turntrans-93.5-6.5180-65.3-174.8-178.1172.13.1114.1S954 I955S954-R957 PolarHBondContact O-N 3.43Å; I955-R957 PolarHBondContact O-N 3.38Å; I955-R957 VanDerWaalsContact O-N 3.1Å
958I46.9Very low41.6Very low145 Ų145126.7 Ų126.774%0.74467%0.673SS**THydrogen-bonded Turntrans-98.1-11.6176.6-61.8170.1000110.4I955I955-I958 PolarHBondContact O-N 2.96Å; I955-I958 VanDerWaalsContact O-N 3.11Å
959I41.7Very low41.2Very low135 Ų135123 Ų12369%0.69266%0.663SS**  trans-11527.4-176.1-48.4174.2000110.2I955I955-I959 HydrophobicContact CG2-CD1 3.75Å; I955-I959 WeakPolarHBondContact O-CG1 3.42Å
960S34.8Very low41.9Very low164 Ų164119.3 Ų119.3100%1.14766%0.658SS**  trans-127.10175.9-64.90000110.8S956S956-S960 PolarHBondContact O-OG 3.48Å

Retrieved 960 of 960 residues in 904.7 ms (Link to these results)

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