A0A087XZC4_POEFO Loading...

Chromosome 8 open reading frame 34

AlphaFold DB , UniProt , Accession A0A087XZC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 629 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
1M59.3Low84.2Confident238 Ų238115.7 Ų115.7100%1.17261%0.606SS**  0120.50-77.9-66.9120.200108.1
2A66.9Low85.1Confident56 Ų56117.9 Ų117.946%0.46360%0.602SS.*  trans-65.5151.7177.200000111.2Q6A2-Q6 HydrophobicContact CB-CB 4.2Å
3S83.6Confident85.7Confident43 Ų43114.7 Ų114.730%0.30159%0.586SS.*  trans-68.2151.2178.985.40000111Q5 Q6 S7S3-Q5 PolarHBondContact O-N 3.19Å; S3-Q5 PolarHBondContact OG-N 2.69Å; S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.31Å; S3-Q6 WeakPolarHBondContact OG-CG 3.17Å; S3-Q6 PolarHBondContact OG-N 3.1Å; S3-Q6 VanDerWaalsContact OG-N 3.13Å; S3-S7 PolarHBondContact O-N 2.79Å; S3-S7 PolarHBondContact O-OG 3.27Å
4P82.9Confident86.1Confident118 Ų118116.8 Ų116.877%0.76659%0.593SS**Hα-helixtrans-57.6-21.1176.5-26.635.5000114.1R8P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 2.9Å
5Q84.9Confident86.5Confident151 Ų151123.3 Ų123.371%0.70661%0.607SS**Hα-helixtrans-77.5-44.9172.3-65.7178.9-13.700111.6S3 R8 I9S3-Q5 PolarHBondContact O-N 3.19Å; S3-Q5 PolarHBondContact OG-N 2.69Å; Q5-R8 PolarHBondContact O-N 2.87Å; Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.18Å; Q5-I9 PolarHBondContact O-N 3.22Å
6Q87.3Confident86.8Confident113 Ų113120.1 Ų120.153%0.52859%0.593SS.*Hα-helixtrans-59.3-48.7174.7-75.1167.7-36.600111.2A2 S3 R8 I9 Q10A2-Q6 HydrophobicContact CB-CB 4.2Å; S3-Q6 WeakPolarHBondContact O-CB 3.43Å; S3-Q6 PolarHBondContact O-N 3.31Å; S3-Q6 WeakPolarHBondContact OG-CG 3.17Å; S3-Q6 PolarHBondContact OG-N 3.1Å; S3-Q6 VanDerWaalsContact OG-N 3.13Å; Q6-R8 VanDerWaalsContact C-N 3.27Å; Q6-R8 PolarHBondContact O-N 2.93Å; Q6-I9 PolarHBondContact O-N 2.68Å; Q6-I9 VanDerWaalsContact O-N 3.08Å; Q6-Q10 WeakPolarHBondContact O-CB 3.47Å; Q6-Q10 PolarHBondContact O-N 3.07Å
7S91.5Very high87.1Confident55 Ų55121.6 Ų121.639%0.38560%0.595SS.*Hα-helixtrans-61.1-35178.1-48.70000112.6S3 S11S3-S7 PolarHBondContact O-N 2.79Å; S3-S7 PolarHBondContact O-OG 3.27Å; S7-S11 VanDerWaalsContact O-CB 3.26Å; S7-S11 WeakPolarHBondContact O-CB 3.31Å; S7-S11 PolarHBondContact O-N 3.43Å
8R93.9Very high87.3Confident202 Ų202118.2 Ų118.276%0.76258%0.58SS**Hα-helixtrans-68.3-38.7174.3-179.5178.9175.4-174.6-1.8112.3P4 Q5 Q6 Y12P4-R8 WeakPolarHBondContact O-CB 3.4Å; P4-R8 PolarHBondContact O-N 2.9Å; Q5-R8 PolarHBondContact O-N 2.87Å; Q6-R8 VanDerWaalsContact C-N 3.27Å; Q6-R8 PolarHBondContact O-N 2.93Å; R8-Y12 WeakPolarHBondContact O-CB 3.36Å; R8-Y12 PolarHBondContact O-N 3.05Å; R8-Y12 VanDerWaalsContact O-N 3.14Å
9I93.1Very high87.5Confident105 Ų105114.2 Ų114.254%0.53857%0.572SS.*Hα-helixtrans-68.3-48.7176.3-68.5162.4000109.9Q5 Q6 S11 Y12 L13Q5-I9 VanDerWaalsContact O-CG1 3.31Å; Q5-I9 WeakPolarHBondContact O-CG1 3.18Å; Q5-I9 PolarHBondContact O-N 3.22Å; Q6-I9 PolarHBondContact O-N 2.68Å; Q6-I9 VanDerWaalsContact O-N 3.08Å; I9-S11 PolarHBondContact O-N 2.91Å; I9-Y12 WeakPolarHBondContact O-CB 3.34Å; I9-Y12 PolarHBondContact O-N 3.31Å; I9-Y12 VanDerWaalsContact O-N 3.08Å; I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 2.91Å
10Q90.6Very high87.7Confident127 Ų127112.6 Ų112.659%0.59357%0.57SS**Hα-helixtrans-58.5-48.7178.7-172.1174.35.200111.6Q6 Y12 L13 E14Q6-Q10 WeakPolarHBondContact O-CB 3.47Å; Q6-Q10 PolarHBondContact O-N 3.07Å; Q10-Y12 VanDerWaalsContact C-N 3.26Å; Q10-Y12 PolarHBondContact O-N 3.39Å; Q10-L13 PolarHBondContact O-N 3.07Å; Q10-L13 VanDerWaalsContact O-N 3.14Å; Q10-E14 WeakPolarHBondContact O-CB 3.14Å; Q10-E14 PolarHBondContact O-N 3.47Å
11S92.4Very high87.8Confident65 Ų65110.9 Ų110.946%0.45556%0.562SS.*Hα-helixtrans-61.9-31.2175.7-175.80000112.9S7 I9 R15S7-S11 VanDerWaalsContact O-CB 3.26Å; S7-S11 WeakPolarHBondContact O-CB 3.31Å; S7-S11 PolarHBondContact O-N 3.43Å; I9-S11 PolarHBondContact O-N 2.91Å; S11-R15 WeakPolarHBondContact O-CB 3.4Å; S11-R15 PolarHBondContact O-N 2.92Å
12Y94.4Very high89.4Confident142 Ų142105.7 Ų105.756%0.55753%0.533SS*.Hα-helixtrans-71.3-43172.7178.3-91.6000112.4R8 I9 Q10 N16 I18R8-Y12 WeakPolarHBondContact O-CB 3.36Å; R8-Y12 PolarHBondContact O-N 3.05Å; R8-Y12 VanDerWaalsContact O-N 3.14Å; I9-Y12 WeakPolarHBondContact O-CB 3.34Å; I9-Y12 PolarHBondContact O-N 3.31Å; I9-Y12 VanDerWaalsContact O-N 3.08Å; Q10-Y12 VanDerWaalsContact C-N 3.26Å; Q10-Y12 PolarHBondContact O-N 3.39Å; Y12-N16 WeakPolarHBondContact CD2-ND2 3.44Å; Y12-N16 VanDerWaalsContact CE2-ND2 3.29Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.44Å; Y12-N16 PolarHBondContact O-N 2.92Å; Y12-N16 PolarHBondContact O-ND2 3.49Å; Y12-I18 HydrophobicContact CD1-CD1 4.11Å; Y12-I18 HydrophobicContact CE1-CD1 3.64Å
13L93.6Very high90.6Very high76 Ų76109 Ų10940%0.39854%0.539SS..Hα-helixtrans-62.9-44.9177.2-67.6170.7000111.5I9 Q10 K17 I18I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.33Å; I9-L13 PolarHBondContact O-N 2.91Å; Q10-L13 PolarHBondContact O-N 3.07Å; Q10-L13 VanDerWaalsContact O-N 3.14Å; L13-K17 PolarHBondContact O-N 3.21Å; L13-K17 VanDerWaalsContact O-N 3.08Å; L13-I18 HydrophobicContact CD2-CB 3.87Å; L13-I18 HydrophobicContact CD2-CD1 4.01Å; L13-I18 HydrophobicContact CD2-CG2 3.7Å; L13-I18 PolarHBondContact O-N 2.94Å
14E91.6Very high91Very high144 Ų144110 Ų11067%0.67354%0.539SS*.Hα-helixtrans-62.8-53.7176.5-177.3-170.8-173.900111.7Q10 N16 K17Q10-E14 WeakPolarHBondContact O-CB 3.14Å; Q10-E14 PolarHBondContact O-N 3.47Å; E14-N16 PolarHBondContact O-N 3.46Å; E14-N16 VanDerWaalsContact O-N 3.17Å; E14-K17 PolarHBondContact O-N 2.62Å
15R91.8Very high91.4Very high215 Ų215105.6 Ų105.681%0.81151%0.509SS*.Hα-helixtrans-58-33-178.2-179.1-179.7-178.8114.54.2113.3S11S11-R15 WeakPolarHBondContact O-CB 3.4Å; S11-R15 PolarHBondContact O-N 2.92Å
16N91.4Very high91.8Very high71 Ų71102 Ų10238%0.3849%0.493SS..THydrogen-bonded Turntrans-98.55.9178.5-62.1-78.7000112.9Y12 E14 I18Y12-N16 WeakPolarHBondContact CD2-ND2 3.44Å; Y12-N16 VanDerWaalsContact CE2-ND2 3.29Å; Y12-N16 WeakPolarHBondContact CE2-ND2 3.44Å; Y12-N16 PolarHBondContact O-N 2.92Å; Y12-N16 PolarHBondContact O-ND2 3.49Å; E14-N16 PolarHBondContact O-N 3.46Å; E14-N16 VanDerWaalsContact O-N 3.17Å; N16-I18 HydrophobicContact CB-CD1 3.81Å; N16-I18 HydrophobicContact CB-CG1 3.8Å; N16-I18 PolarHBondContact O-N 3.39Å
17K91.6Very high92Very high146 Ų146100 Ų10064%0.63549%0.489SS*.THydrogen-bonded Turntrans50.236-177.5-59.3-168.1174.6-166.30114.4L13 E14 G19 P20 L21L13-K17 PolarHBondContact O-N 3.21Å; L13-K17 VanDerWaalsContact O-N 3.08Å; E14-K17 PolarHBondContact O-N 2.62Å; K17-G19 VanDerWaalsContact C-N 3.3Å; K17-G19 PolarHBondContact O-N 3.01Å; K17-P20 WeakPolarHBondContact O-CD 3.5Å; K17-L21 WeakPolarHBondContact O-CB 3.22Å; K17-L21 VanDerWaalsContact O-CG 3.31Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3Å
18I90.7Very high91.7Very high61 Ų6199.7 Ų99.731%0.31348%0.48SS..Hα-helixtrans-65.6-32-172.2-69.6169.6000112Y12 L13 N16 F22Y12-I18 HydrophobicContact CD1-CD1 4.11Å; Y12-I18 HydrophobicContact CE1-CD1 3.64Å; L13-I18 HydrophobicContact CD2-CB 3.87Å; L13-I18 HydrophobicContact CD2-CD1 4.01Å; L13-I18 HydrophobicContact CD2-CG2 3.7Å; L13-I18 PolarHBondContact O-N 2.94Å; N16-I18 HydrophobicContact CB-CD1 3.81Å; N16-I18 HydrophobicContact CB-CG1 3.8Å; N16-I18 PolarHBondContact O-N 3.39Å; I18-F22 WeakPolarHBondContact O-CB 3.45Å; I18-F22 PolarHBondContact O-N 3.09Å
19G91.2Very high91.6Very high42 Ų4291.7 Ų91.743%0.43345%0.452SS..Hα-helixtrans-60.2-64.2172.900000112.6K17 L21 F22 E23K17-G19 VanDerWaalsContact C-N 3.3Å; K17-G19 PolarHBondContact O-N 3.01Å; G19-L21 PolarHBondContact O-N 3.37Å; G19-F22 WeakPolarHBondContact O-CB 3.29Å; G19-F22 PolarHBondContact O-N 3.4Å; G19-E23 PolarHBondContact O-N 2.75Å
20P91.6Very high91.4Very high81 Ų8192.4 Ų92.453%0.52646%0.456SS..Hα-helixtrans-57.4-31.6177-29.536.4000114.7K17 E24K17-P20 WeakPolarHBondContact O-CD 3.5Å; P20-E24 PolarHBondContact O-N 2.88Å
21L89.8Confident91.4Very high77 Ų7790.9 Ų90.940%0.40346%0.455SS..Hα-helixtrans-68-43173.3-73170.6000112.1K17 G19 E23 E24 L25K17-L21 WeakPolarHBondContact O-CB 3.22Å; K17-L21 VanDerWaalsContact O-CG 3.31Å; K17-L21 WeakPolarHBondContact O-CG 3.4Å; K17-L21 PolarHBondContact O-N 3Å; G19-L21 PolarHBondContact O-N 3.37Å; L21-E23 VanDerWaalsContact C-N 3.31Å; L21-E24 PolarHBondContact O-N 2.99Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.68Å
22F91.8Very high91Very high130 Ų13092.6 Ų92.657%0.5746%0.456SS*.Hα-helixtrans-62.9-40.1174.3176.7-101.3000111.5I18 G19 L25 M26I18-F22 WeakPolarHBondContact O-CB 3.45Å; I18-F22 PolarHBondContact O-N 3.09Å; G19-F22 WeakPolarHBondContact O-CB 3.29Å; G19-F22 PolarHBondContact O-N 3.4Å; F22-L25 PolarHBondContact O-N 3.48Å; F22-M26 HydrophobicContact CD1-CG 4.11Å; F22-M26 HydrophobicContact CD2-CG 4.12Å; F22-M26 HydrophobicContact CE1-CG 3.69Å; F22-M26 HydrophobicContact CE2-CG 3.69Å; F22-M26 HydrophobicContact CE2-SD 3.96Å; F22-M26 HydrophobicContact CG-CG 4.31Å; F22-M26 HydrophobicContact CZ-CG 3.46Å; F22-M26 VanDerWaalsContact CZ-CG 3.46Å; F22-M26 HydrophobicContact CZ-SD 3.91Å; F22-M26 WeakPolarHBondContact O-CB 3.22Å; F22-M26 VanDerWaalsContact O-CG 3.3Å; F22-M26 WeakPolarHBondContact O-CG 3.4Å; F22-M26 PolarHBondContact O-N 3.1Å
23E92.6Very high90.6Very high126 Ų12691.3 Ų91.359%0.58946%0.463SS*.Hα-helixtrans-62.8-44.6176-171.6172-160.600112.6G19 L21 L25 T27G19-E23 PolarHBondContact O-N 2.75Å; L21-E23 VanDerWaalsContact C-N 3.31Å; E23-L25 PolarHBondContact O-N 3.29Å; E23-T27 VanDerWaalsContact O-CB 3.26Å; E23-T27 WeakPolarHBondContact O-CB 3.47Å; E23-T27 PolarHBondContact O-N 3Å; E23-T27 PolarHBondContact O-OG1 2.81Å
24E92.8Very high90.2Very high63 Ų6389.3 Ų89.329%0.29446%0.455SS..Hα-helixtrans-61.7-44.1173.8-170.6-173.9179.400111.7P20 L21 T27 K28 H44 K48P20-E24 PolarHBondContact O-N 2.88Å; L21-E24 PolarHBondContact O-N 2.99Å; E24-T27 PolarHBondContact O-N 3.26Å; E24-K28 HydrophobicContact CG-CD 4.39Å; E24-K28 PolarHBondContact O-N 3.16Å; E24-K28 IonicContact OE1-NZ 2.61Å; E24-K28 PolarHBondContact OE1-NZ 3.47Å; E24-H44 IonicContact OE1-NE2 3.49Å; E24-K48 IonicContact OE1-NZ 3.82Å; E24-K48 PolarHBondContact OE1-NZ 2.89Å; E24-K48 IonicContact OE2-NZ 3.66Å; E24-K48 PolarHBondContact OE2-NZ 3.47Å
25L91.7Very high90Very high25 Ų2589.9 Ų89.913%0.13146%0.463CS..Hα-helixtrans-66.5-43.6-179-70.7164.1000112.3L21 F22 E23 L29 L41 H44 L45L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CD1 3.3Å; L21-L25 WeakPolarHBondContact O-CD1 3.46Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.68Å; F22-L25 PolarHBondContact O-N 3.48Å; E23-L25 PolarHBondContact O-N 3.29Å; L25-L29 PolarHBondContact O-N 3.39Å; L25-L29 VanDerWaalsContact O-N 3.1Å; L25-L41 HydrophobicContact CB-CD2 3.79Å; L25-L41 HydrophobicContact CD2-CD2 3.76Å; L25-L41 HydrophobicContact CG-CD2 4.27Å; L25-H44 HydrophobicContact CD2-CB 4.27Å; L25-L45 HydrophobicContact CD1-CD2 3.85Å; L25-L45 HydrophobicContact CD1-CG 4.36Å; L25-L45 HydrophobicContact CD2-CD2 4.29Å; L25-L45 HydrophobicContact CD2-CG 4.18Å
26M92Very high89.7Confident75 Ų7586.2 Ų86.237%0.36946%0.455SS..Hα-helixtrans-67.7-41.1176.1-73.3-57.7-5600111.6F22 K28 L29 I30F22-M26 HydrophobicContact CD1-CG 4.11Å; F22-M26 HydrophobicContact CD2-CG 4.12Å; F22-M26 HydrophobicContact CE1-CG 3.69Å; F22-M26 HydrophobicContact CE2-CG 3.69Å; F22-M26 HydrophobicContact CE2-SD 3.96Å; F22-M26 HydrophobicContact CG-CG 4.31Å; F22-M26 HydrophobicContact CZ-CG 3.46Å; F22-M26 VanDerWaalsContact CZ-CG 3.46Å; F22-M26 HydrophobicContact CZ-SD 3.91Å; F22-M26 WeakPolarHBondContact O-CB 3.22Å; F22-M26 VanDerWaalsContact O-CG 3.3Å; F22-M26 WeakPolarHBondContact O-CG 3.4Å; F22-M26 PolarHBondContact O-N 3.1Å; M26-K28 PolarHBondContact O-N 2.86Å; M26-L29 PolarHBondContact O-N 3.01Å; M26-L29 HydrophobicContact SD-CD1 4.46Å; M26-I30 WeakPolarHBondContact O-CD1 3.44Å; M26-I30 VanDerWaalsContact O-CG1 3.3Å; M26-I30 WeakPolarHBondContact O-CG1 3.4Å; M26-I30 PolarHBondContact O-N 2.9Å; M26-I30 VanDerWaalsContact O-N 3.12Å
27T91.1Very high89.6Confident73 Ų7385.7 Ų85.745%0.44846%0.455SS..Hα-helixtrans-57.4-50.1175.1-59.90000110.7E23 E24 L29 I30 T31E23-T27 VanDerWaalsContact O-CB 3.26Å; E23-T27 WeakPolarHBondContact O-CB 3.47Å; E23-T27 PolarHBondContact O-N 3Å; E23-T27 PolarHBondContact O-OG1 2.81Å; E24-T27 PolarHBondContact O-N 3.26Å; T27-L29 PolarHBondContact O-N 2.92Å; T27-I30 PolarHBondContact O-N 3.04Å; T27-T31 HydrophobicContact CG2-CG2 4.2Å; T27-T31 WeakPolarHBondContact O-CG2 3.39Å; T27-T31 PolarHBondContact O-N 2.65Å; T27-T31 PolarHBondContact O-OG1 3.08Å
28K87Confident89.4Confident48 Ų4884.4 Ų84.421%0.20945%0.454CS..Hα-helixtrans-63-39.6179.6-79.2173.5168.4156.10114E24 M26 I30 T31 E32 F40 H44E24-K28 HydrophobicContact CG-CD 4.39Å; E24-K28 PolarHBondContact O-N 3.16Å; E24-K28 IonicContact OE1-NZ 2.61Å; E24-K28 PolarHBondContact OE1-NZ 3.47Å; M26-K28 PolarHBondContact O-N 2.86Å; K28-I30 PolarHBondContact O-N 3.33Å; K28-T31 WeakPolarHBondContact CA-OG1 3.12Å; K28-T31 PolarHBondContact O-N 3.39Å; K28-T31 PolarHBondContact O-OG1 3.31Å; K28-E32 WeakPolarHBondContact O-CB 3.48Å; K28-E32 PolarHBondContact O-N 3.25Å; K28-F40 HydrophobicContact CB-CE1 3.96Å; K28-F40 HydrophobicContact CB-CZ 4.12Å; K28-H44 PolarHBondContact NZ-CE1 2.83Å; K28-H44 PolarHBondContact NZ-NE2 3.08Å
29L91.3Very high89.4Confident33 Ų3385.2 Ų85.217%0.17346%0.463CS..Hα-helixtrans-59.3-34.9172.4-81.6-174.8000113.2L25 M26 T27 T33 P34 P37 F40 L41L25-L29 PolarHBondContact O-N 3.39Å; L25-L29 VanDerWaalsContact O-N 3.1Å; M26-L29 PolarHBondContact O-N 3.01Å; M26-L29 HydrophobicContact SD-CD1 4.46Å; T27-L29 PolarHBondContact O-N 2.92Å; L29-T33 PolarHBondContact O-N 2.97Å; L29-P34 HydrophobicContact CD2-CG 3.74Å; L29-P34 WeakPolarHBondContact O-CD 3.46Å; L29-P37 HydrophobicContact CD1-CB 4.36Å; L29-P37 HydrophobicContact CD2-CB 3.42Å; L29-P37 VanDerWaalsContact CD2-CB 3.42Å; L29-F40 HydrophobicContact CD2-CD1 3.72Å; L29-F40 HydrophobicContact CD2-CE1 4.3Å; L29-L41 HydrophobicContact CD1-CD1 3.84Å; L29-L41 HydrophobicContact CD1-CD2 3.88Å; L29-L41 HydrophobicContact CD1-CG 3.88Å; L29-L41 HydrophobicContact CD2-CD2 4.44Å; L29-L41 HydrophobicContact CD2-CG 4.19Å; L29-L41 HydrophobicContact CG-CD2 3.95Å; L29-L41 HydrophobicContact CG-CG 4.14Å
30I89.3Confident89.3Confident120 Ų12085.2 Ų85.262%0.61545%0.451SS*.Hα-helixtrans-79.4-41.2179.4-66164.5000110.9M26 T27 K28 T33M26-I30 WeakPolarHBondContact O-CD1 3.44Å; M26-I30 VanDerWaalsContact O-CG1 3.3Å; M26-I30 WeakPolarHBondContact O-CG1 3.4Å; M26-I30 PolarHBondContact O-N 2.9Å; M26-I30 VanDerWaalsContact O-N 3.12Å; T27-I30 PolarHBondContact O-N 3.04Å; K28-I30 PolarHBondContact O-N 3.33Å; I30-T33 WeakPolarHBondContact O-CG2 3.5Å
31T89.1Confident89.2Confident95 Ų9583.6 Ų83.658%0.58344%0.438SS*.Hα-helixtrans-78.3-34.9-176.655.50000114.1T27 K28T27-T31 HydrophobicContact CG2-CG2 4.2Å; T27-T31 WeakPolarHBondContact O-CG2 3.39Å; T27-T31 PolarHBondContact O-N 2.65Å; T27-T31 PolarHBondContact O-OG1 3.08Å; K28-T31 WeakPolarHBondContact CA-OG1 3.12Å; K28-T31 PolarHBondContact O-N 3.39Å; K28-T31 PolarHBondContact O-OG1 3.31Å
32E84.8Confident89.2Confident101 Ų10183.8 Ų83.847%0.47244%0.438SS..SBendtrans-93-9.2-177.1-60-178.2-131.700112.5K28 P34 F40K28-E32 WeakPolarHBondContact O-CB 3.48Å; K28-E32 PolarHBondContact O-N 3.25Å; E32-P34 VanDerWaalsContact C-CD 3.44Å; E32-P34 VanDerWaalsContact C-N 3.33Å; E32-P34 VanDerWaalsContact O-N 3.16Å; E32-F40 HydrophobicContact CB-CZ 4.44Å; E32-F40 VanDerWaalsContact CD-CZ 3.49Å; E32-F40 HydrophobicContact CG-CZ 4.46Å; E32-F40 WeakPolarHBondContact OE1-CZ 3.38Å; E32-F40 VanDerWaalsContact OE2-CE2 3.22Å; E32-F40 WeakPolarHBondContact OE2-CE2 3.38Å; E32-F40 WeakPolarHBondContact OE2-CZ 3.48Å
33T86.8Confident89Confident115 Ų11582.1 Ų82.171%0.70644%0.436SS*.  trans41.447.4178.158.50000114.7L29 I30 D35L29-T33 PolarHBondContact O-N 2.97Å; I30-T33 WeakPolarHBondContact O-CG2 3.5Å; T33-D35 PolarHBondContact O-N 3.39Å
34P84.7Confident88.8Confident34 Ų3477.5 Ų77.522%0.22141%0.414CS..  trans-69.7134-168.729-35.2000112.1L29 E32 H36 P37 F40L29-P34 HydrophobicContact CD2-CG 3.74Å; L29-P34 WeakPolarHBondContact O-CD 3.46Å; E32-P34 VanDerWaalsContact C-CD 3.44Å; E32-P34 VanDerWaalsContact C-N 3.33Å; E32-P34 VanDerWaalsContact O-N 3.16Å; P34-H36 PolarHBondContact O-N 3.2Å; P34-P37 HydrophobicContact CG-CB 4.38Å; P34-F40 HydrophobicContact CB-CB 4.19Å; P34-F40 HydrophobicContact CB-CD2 4.44Å; P34-F40 HydrophobicContact CB-CG 4.25Å; P34-F40 HydrophobicContact CG-CB 4.12Å; P34-F40 HydrophobicContact CG-CD1 4.13Å; P34-F40 HydrophobicContact CG-CG 4Å
35D86.3Confident88.5Confident157 Ų15778.3 Ų78.384%0.8442%0.42SS*.SBendtrans-50-31.6175.2-69.6-55.3000112.9T33T33-D35 PolarHBondContact O-N 3.39Å
36H87.1Confident88.1Confident138 Ų13882.5 Ų82.564%0.63944%0.439SS*.SBendtrans-128.483.1-176.6-65.2-8.3000110.2P34 I38 P39 F40P34-H36 PolarHBondContact O-N 3.2Å; H36-I38 VanDerWaalsContact C-N 3.35Å; H36-I38 PolarHBondContact O-N 2.88Å; H36-P39 HydrophobicContact CB-CG 4.06Å; H36-P39 WeakPolarHBondContact O-CD 3.36Å; H36-F40 PolarHBondContact O-N 2.91Å
37P88.1Confident87.6Confident59 Ų5982.6 Ų82.638%0.38344%0.443SS..Hα-helixtrans-67.4-30.5-171.525.7-35.6000113.8L29 P34 L41L29-P37 HydrophobicContact CD1-CB 4.36Å; L29-P37 HydrophobicContact CD2-CB 3.42Å; L29-P37 VanDerWaalsContact CD2-CB 3.42Å; P34-P37 HydrophobicContact CG-CB 4.38Å; P37-L41 WeakPolarHBondContact O-CG 3.39Å; P37-L41 PolarHBondContact O-N 3.48Å
38I88.1Confident86.6Confident119 Ų11983 Ų8361%0.6144%0.439SS*.Hα-helixtrans-71.6-50.2-178.1-63.2171.5000111.8H36 F40 L41 I42H36-I38 VanDerWaalsContact C-N 3.35Å; H36-I38 PolarHBondContact O-N 2.88Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.24Å; I38-L41 PolarHBondContact O-N 2.86Å; I38-I42 HydrophobicContact CG2-CD1 3.95Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.47Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.08Å
39P90.8Very high85.5Confident78 Ų7888 Ų8851%0.50646%0.463SS..Hα-helixtrans-54.7-41.7170.1-29.836.6000113.7H36 I42 D43H36-P39 HydrophobicContact CB-CG 4.06Å; H36-P39 WeakPolarHBondContact O-CD 3.36Å; P39-I42 PolarHBondContact O-N 2.85Å; P39-D43 PolarHBondContact O-N 3.19Å
40F89.8Confident83.4Confident43 Ų4393.3 Ų93.319%0.18949%0.492CS..Hα-helixtrans-60.8-47.7177.2175.3-92.1000112.4K28 L29 E32 P34 H36 I38 I42 D43 H44K28-F40 HydrophobicContact CB-CE1 3.96Å; K28-F40 HydrophobicContact CB-CZ 4.12Å; L29-F40 HydrophobicContact CD2-CD1 3.72Å; L29-F40 HydrophobicContact CD2-CE1 4.3Å; E32-F40 HydrophobicContact CB-CZ 4.44Å; E32-F40 VanDerWaalsContact CD-CZ 3.49Å; E32-F40 HydrophobicContact CG-CZ 4.46Å; E32-F40 WeakPolarHBondContact OE1-CZ 3.38Å; E32-F40 VanDerWaalsContact OE2-CE2 3.22Å; E32-F40 WeakPolarHBondContact OE2-CE2 3.38Å; E32-F40 WeakPolarHBondContact OE2-CZ 3.48Å; P34-F40 HydrophobicContact CB-CB 4.19Å; P34-F40 HydrophobicContact CB-CD2 4.44Å; P34-F40 HydrophobicContact CB-CG 4.25Å; P34-F40 HydrophobicContact CG-CB 4.12Å; P34-F40 HydrophobicContact CG-CD1 4.13Å; P34-F40 HydrophobicContact CG-CG 4Å; H36-F40 PolarHBondContact O-N 2.91Å; I38-F40 VanDerWaalsContact C-N 3.29Å; I38-F40 PolarHBondContact O-N 3.24Å; F40-I42 VanDerWaalsContact C-N 3.28Å; F40-I42 PolarHBondContact O-N 3.11Å; F40-D43 PolarHBondContact O-N 3.34Å; F40-H44 WeakPolarHBondContact O-CB 3.29Å; F40-H44 PolarHBondContact O-N 3.07Å
41L89Confident81.5Confident46 Ų4691.1 Ų91.124%0.24149%0.487CS..Hα-helixtrans-58.6-38.5174.1-77.3177.3000112.6L25 L29 P37 I38 H44 L45L25-L41 HydrophobicContact CB-CD2 3.79Å; L25-L41 HydrophobicContact CD2-CD2 3.76Å; L25-L41 HydrophobicContact CG-CD2 4.27Å; L29-L41 HydrophobicContact CD1-CD1 3.84Å; L29-L41 HydrophobicContact CD1-CD2 3.88Å; L29-L41 HydrophobicContact CD1-CG 3.88Å; L29-L41 HydrophobicContact CD2-CD2 4.44Å; L29-L41 HydrophobicContact CD2-CG 4.19Å; L29-L41 HydrophobicContact CG-CD2 3.95Å; L29-L41 HydrophobicContact CG-CG 4.14Å; P37-L41 WeakPolarHBondContact O-CG 3.39Å; P37-L41 PolarHBondContact O-N 3.48Å; I38-L41 PolarHBondContact O-N 2.86Å; L41-H44 PolarHBondContact O-N 2.8Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.03Å
42I90Very high79.5Confident82 Ų8292.6 Ų92.642%0.42150%0.498SS..Hα-helixtrans-67-47.1-179.1-69.5165.2000110.5I38 P39 F40 L45 Q46I38-I42 HydrophobicContact CG2-CD1 3.95Å; I38-I42 VanDerWaalsContact O-CG1 3.31Å; I38-I42 WeakPolarHBondContact O-CG1 3.47Å; I38-I42 PolarHBondContact O-N 3.13Å; I38-I42 VanDerWaalsContact O-N 3.08Å; P39-I42 PolarHBondContact O-N 2.85Å; F40-I42 VanDerWaalsContact C-N 3.28Å; F40-I42 PolarHBondContact O-N 3.11Å; I42-L45 PolarHBondContact O-N 3.37Å; I42-Q46 WeakPolarHBondContact O-CB 3.11Å; I42-Q46 VanDerWaalsContact O-CG 3.27Å; I42-Q46 WeakPolarHBondContact O-CG 3.46Å; I42-Q46 PolarHBondContact O-N 3.4Å
43D87.2Confident77.6Confident95 Ų9591.3 Ų91.351%0.50851%0.512SS..Hα-helixtrans-62-43.1175-173.279.3000111.3P39 F40 L45 Q46 T47P39-D43 PolarHBondContact O-N 3.19Å; F40-D43 PolarHBondContact O-N 3.34Å; D43-L45 VanDerWaalsContact C-N 3.33Å; D43-L45 PolarHBondContact O-N 3.02Å; D43-Q46 PolarHBondContact O-N 3.43Å; D43-T47 WeakPolarHBondContact O-CB 3.43Å; D43-T47 WeakPolarHBondContact O-CG2 3.35Å; D43-T47 PolarHBondContact O-N 2.69Å; D43-T47 PolarHBondContact O-OG1 2.96Å
44H87.8Confident75.6Confident29 Ų2993.8 Ų93.813%0.13451%0.513CS..Hα-helixtrans-64.7-34.9177.7-15267.3000113.5E24 L25 K28 F40 L41 T47 K48E24-H44 IonicContact OE1-NE2 3.49Å; L25-H44 HydrophobicContact CD2-CB 4.27Å; K28-H44 PolarHBondContact NZ-CE1 2.83Å; K28-H44 PolarHBondContact NZ-NE2 3.08Å; F40-H44 WeakPolarHBondContact O-CB 3.29Å; F40-H44 PolarHBondContact O-N 3.07Å; L41-H44 PolarHBondContact O-N 2.8Å; H44-T47 WeakPolarHBondContact CA-OG1 3.33Å; H44-T47 PolarHBondContact O-OG1 2.64Å; H44-K48 VanDerWaalsContact NE2-CE 3.3Å; H44-K48 WeakPolarHBondContact NE2-CE 3.46Å; H44-K48 WeakPolarHBondContact O-CB 3.4Å; H44-K48 WeakPolarHBondContact O-CG 3.48Å; H44-K48 PolarHBondContact O-N 3.42Å
45L85.9Confident73.6Confident79 Ų79100.5 Ų100.541%0.41455%0.546SS..Hα-helixtrans-72.5-36.5173.8-76.9168.1000112.3L25 L41 I42 D43 Q49L25-L45 HydrophobicContact CD1-CD2 3.85Å; L25-L45 HydrophobicContact CD1-CG 4.36Å; L25-L45 HydrophobicContact CD2-CD2 4.29Å; L25-L45 HydrophobicContact CD2-CG 4.18Å; L41-L45 WeakPolarHBondContact O-CB 3.39Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.34Å; L41-L45 PolarHBondContact O-N 3.03Å; I42-L45 PolarHBondContact O-N 3.37Å; D43-L45 VanDerWaalsContact C-N 3.33Å; D43-L45 PolarHBondContact O-N 3.02Å; L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 3.49Å
46Q83.9Confident71.6Confident114 Ų114101.2 Ų101.253%0.53354%0.544SS..Hα-helixtrans-71.3-49.5179.8-75173.30.300111.5I42 D43 K48 Q49 D50I42-Q46 WeakPolarHBondContact O-CB 3.11Å; I42-Q46 VanDerWaalsContact O-CG 3.27Å; I42-Q46 WeakPolarHBondContact O-CG 3.46Å; I42-Q46 PolarHBondContact O-N 3.4Å; D43-Q46 PolarHBondContact O-N 3.43Å; Q46-K48 PolarHBondContact O-N 2.86Å; Q46-Q49 PolarHBondContact O-N 3.38Å; Q46-D50 PolarHBondContact O-N 2.96Å
47T80.9Confident69.5Low76 Ų76105 Ų10547%0.46655%0.552SS.*Hα-helixtrans-56.4-33.2175.251.30000112.6D43 H44D43-T47 WeakPolarHBondContact O-CB 3.43Å; D43-T47 WeakPolarHBondContact O-CG2 3.35Å; D43-T47 PolarHBondContact O-N 2.69Å; D43-T47 PolarHBondContact O-OG1 2.96Å; H44-T47 WeakPolarHBondContact CA-OG1 3.33Å; H44-T47 PolarHBondContact O-OG1 2.64Å
48K70.6Confident67.3Low81 Ų81107 Ų10735%0.35258%0.575SS.*Hα-helixtrans-71.6-44.5170.3-66.7-89.4-179.4155.70112.4E24 H44 Q46 D50 S51E24-K48 IonicContact OE1-NZ 3.82Å; E24-K48 PolarHBondContact OE1-NZ 2.89Å; E24-K48 IonicContact OE2-NZ 3.66Å; E24-K48 PolarHBondContact OE2-NZ 3.47Å; H44-K48 VanDerWaalsContact NE2-CE 3.3Å; H44-K48 WeakPolarHBondContact NE2-CE 3.46Å; H44-K48 WeakPolarHBondContact O-CB 3.4Å; H44-K48 WeakPolarHBondContact O-CG 3.48Å; H44-K48 PolarHBondContact O-N 3.42Å; Q46-K48 PolarHBondContact O-N 2.86Å; K48-D50 PolarHBondContact O-N 3.43Å; K48-S51 PolarHBondContact O-N 2.92Å; K48-S51 VanDerWaalsContact O-N 3.17Å; K48-S51 PolarHBondContact O-OG 3.36Å
49Q63.9Low65.1Low153 Ų153111.4 Ų111.472%0.71559%0.589SS**Hα-helixtrans-70.5-22.5-177.5-77.7-164.625.800115L45 Q46 S51 P52L45-Q49 WeakPolarHBondContact O-CB 3.38Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 3.49Å; Q46-Q49 PolarHBondContact O-N 3.38Å; Q49-S51 PolarHBondContact O-N 3.31Å; Q49-P52 VanDerWaalsContact O-CD 3.32Å; Q49-P52 WeakPolarHBondContact O-CD 3.36Å
50D46.7Very low63Low146 Ų146112 Ų11278%0.78160%0.596SS**THydrogen-bonded Turntrans-73.11.3170.8-78.4-38000113.6Q46 K48Q46-D50 PolarHBondContact O-N 2.96Å; K48-D50 PolarHBondContact O-N 3.43Å
51S49.5Very low60.4Low73 Ų73112.8 Ų112.851%0.5162%0.615SS.*  trans-116.534.1-179.975.10000117.2K48 Q49 G53K48-S51 PolarHBondContact O-N 2.92Å; K48-S51 VanDerWaalsContact O-N 3.17Å; K48-S51 PolarHBondContact O-OG 3.36Å; Q49-S51 PolarHBondContact O-N 3.31Å; S51-G53 PolarHBondContact O-N 2.97Å
52P47.1Very low58.2Low127 Ų127116.2 Ų116.283%0.82564%0.644SS**THydrogen-bonded Turntrans-78.626.8-165.839.1-37.5000113.9Q49Q49-P52 VanDerWaalsContact O-CD 3.32Å; Q49-P52 WeakPolarHBondContact O-CD 3.36Å
53G45.7Very low56Low73 Ų73116.5 Ų116.575%0.75366%0.658SS**THydrogen-bonded Turntrans-148.49.6-167.900000116.7S51S51-G53 PolarHBondContact O-N 2.97Å
54K43.8Very low54.1Low168 Ų168115.3 Ų115.373%0.7366%0.662SS**  trans-145.535.6-178.1-135.6174.5-173.7179.60117.6H56K54-H56 PolarHBondContact O-N 3.06Å
55L43Very low52.2Low174 Ų174120.7 Ų120.791%0.91169%0.69SS**  trans-73.755.6161.9-78.5178.7000112.4
56H43.6Very low50.2Low172 Ų172128.4 Ų128.480%0.79671%0.714SS**SBendtrans-147.9123.9163.1-93.5-70.8000110.5K54K54-H56 PolarHBondContact O-N 3.06Å
57R43.9Very low48Very low217 Ų217127 Ų12782%0.81972%0.722SS**  trans6476.3164.6-161.1174.2-62.7-157.2-2.1116
58A41.6Very low45.8Very low103 Ų103131 Ų13185%0.85174%0.736SS**  trans-101.312.4159.300000113.5
59F42.8Very low44.2Very low210 Ų210132.6 Ų132.692%0.92176%0.757SS**  trans-97.583.1157.6-68.8-63.5000108.3
60S45.7Very low42.7Very low91 Ų91130.3 Ų130.364%0.63676%0.758SS**SBendtrans-161.4123.8172.8-1620000107.9
61G36.2Very low42.5Very low59 Ų59129.1 Ų129.161%0.60876%0.758SS**  trans-67.5172.3-159.800000117A63G61-A63 PolarHBondContact O-N 3.38Å
62S42.3Very low41.8Very low119 Ų119134 Ų13483%0.83277%0.772SS**THydrogen-bonded Turntrans-58.5-0-164.9-44.10000117.9
63A44.8Very low41.3Very low87 Ų87135.4 Ų135.472%0.71977%0.773SS**THydrogen-bonded Turntrans-77.4-23.1-178.700000114.3G61 L65G61-A63 PolarHBondContact O-N 3.38Å; A63-L65 VanDerWaalsContact C-N 3.3Å; A63-L65 PolarHBondContact O-N 2.89Å
64A45.4Very low41Very low71 Ų71139.5 Ų139.559%0.58777%0.77SS**G310 helixtrans-73.5-8.2-164.900000116.3W66A64-W66 VanDerWaalsContact C-N 3.35Å; A64-W66 PolarHBondContact O-N 2.89Å
65L48.6Very low40.5Very low141 Ų141138.6 Ų138.674%0.73877%0.774SS**G310 helixtrans-72.7-20.6-170.8-71.8172.2000114.9A63A63-L65 VanDerWaalsContact C-N 3.3Å; A63-L65 PolarHBondContact O-N 2.89Å
66W43.4Very low40Very low242 Ų242136.7 Ų136.792%0.91777%0.769SS**G310 helixtrans-86.7-3.3-172.2-6093.6000115A64A64-W66 VanDerWaalsContact C-N 3.35Å; A64-W66 PolarHBondContact O-N 2.89Å
67A39.5Very low39.5Very low85 Ų85138.9 Ų138.970%0.70277%0.77SS**  trans-115.618.8-163.500000116S69A67-S69 PolarHBondContact O-N 3.32Å
68Q33.5Very low39.5Very low160 Ų160138.5 Ų138.575%0.74877%0.769SS**  trans-94.888.2177.1-71.7-170.2101.600112.5
69S36.6Very low39Very low113 Ų113142.9 Ų142.979%0.7977%0.772SS**PPolyproline II helixtrans-76.5141.9167.855.90000112A67A67-S69 PolarHBondContact O-N 3.32Å
70S32.6Very low38.6Very low105 Ų105143.3 Ų143.373%0.73477%0.769SS**PPolyproline II helixtrans-58.9137.3-174-177.30000114.8
71P42Very low38.1Very low121 Ų121143.9 Ų143.979%0.78677%0.773SS**PPolyproline II helixtrans-82.3119.916532.2-31.2000111
72E36Very low37.9Very low175 Ų175148.1 Ų148.182%0.81878%0.782SS**PPolyproline II helixtrans-74.5126.3175.1-63.9173.996.200111.6
73N36.4Very low37.5Very low157 Ų157152.3 Ų152.384%0.8479%0.785SS**  trans-113.7138167.4-164-4.2000110.4
74K39.8Very low37.2Very low160 Ų160156.8 Ų156.870%0.69679%0.792SS**  trans-110.3130.5-172.4-71.3177-179.8168.90111.1
75N33.2Very low37.2Very low149 Ų149159.5 Ų159.580%0.79779%0.79SS**  trans77.3138.1-177.5-43.4-38.7000112.7
76T32.4Very low37Very low133 Ų133157.2 Ų157.282%0.81678%0.784SS**  cis-13513129.840.80000116.4R78T76-R78 PolarHBondContact O-N 2.92Å
77R33.3Very low36.9Very low218 Ų218155.6 Ų155.682%0.82378%0.777SS**  trans30.884.3136.8-164.2-179.6-175.2-101.811120
78R42.9Very low37.1Very low209 Ų209158.6 Ų158.679%0.78978%0.777SS**  trans47.8103.9148.4-63.9-166-61.7-1441.6118.7T76T76-R78 PolarHBondContact O-N 2.92Å
79E30.7Very low37.3Very low195 Ų195158.2 Ų158.291%0.91178%0.778SS**  -120161.5127.9-69.5-163.3140.600109.3
80Y35Very low37.5Very low219 Ų219157.2 Ų157.286%0.85977%0.768SS**  trans-14782.7-165.6-144.4-84.8000111.3
81S35.3Very low38.1Very low104 Ų104158.4 Ų158.473%0.72777%0.773SS**  trans-161.4130.6169-85.50000113.3
82N32.8Very low38.3Very low148 Ų148161.2 Ų161.279%0.79177%0.773SS**  trans51.578.9141-48.4-26.9000118.6E84N82-E84 PolarHBondContact O-N 3.42Å
83F32.7Very low39Very low206 Ų206162.1 Ų162.190%0.90477%0.774SS**  trans-76101.1142.5-81.6-78000108.7
84E39.5Very low39.3Very low182 Ų182160.9 Ų160.985%0.8577%0.774SS**  trans-68135171.8-170.6161.8-178.900109.9N82 P86N82-E84 PolarHBondContact O-N 3.42Å; E84-P86 WeakPolarHBondContact O-CD 3.44Å
85K44.5Very low39.7Very low127 Ų127163 Ų16355%0.55278%0.784SS**  trans-103.5108.2-174.8-68.9178.2-179.1177.10109.6W87 Q88K85-W87 PolarHBondContact O-N 3.23Å; K85-Q88 PolarHBondContact O-N 2.92Å
86P45Very low40.5Very low94 Ų94166.1 Ų166.161%0.6179%0.79SS**THydrogen-bonded Turntrans-57.7-25.6-173.4-27.635.3000115E84E84-P86 WeakPolarHBondContact O-CD 3.44Å
87W40.5Very low40.8Very low207 Ų207165.3 Ų165.378%0.78479%0.79SS**THydrogen-bonded Turntrans-88.79.5-172.641.287.5000115.9K85K85-W87 PolarHBondContact O-N 3.23Å
88Q44.8Very low41.5Very low148 Ų148164.1 Ų164.169%0.69279%0.791SS**  trans-105.948.3175.4-69.1-156.6-65.100114.4K85 T90K85-Q88 PolarHBondContact O-N 2.92Å; Q88-T90 PolarHBondContact O-N 2.9Å; Q88-T90 VanDerWaalsContact O-N 3.08Å
89I38.3Very low41.9Very low152 Ų152158.6 Ų158.678%0.77978%0.784SS**  trans-78.588.6174.3-51.5177.8000110.3
90T40.6Very low42.3Very low93 Ų93156.1 Ų156.157%0.57178%0.777SS**  trans-81.7124.717167.60000110.9Q88 K92Q88-T90 PolarHBondContact O-N 2.9Å; Q88-T90 VanDerWaalsContact O-N 3.08Å; T90-K92 PolarHBondContact O-N 3.35Å
91P43.8Very low42.3Very low129 Ų129152.7 Ų152.784%0.83877%0.773SS**  trans-73.890.5179.829.1-34.7000111.5
92K47.1Very low42.6Very low180 Ų180152.3 Ų152.378%0.78378%0.776SS**PPolyproline II helixtrans-90.7125.5173.3-72-170.6179.1177.20111.2T90T90-K92 PolarHBondContact O-N 3.35Å
93K49.8Very low42.7Very low195 Ų195150.5 Ų150.585%0.84877%0.77SS**PPolyproline II helixtrans-55.3126.6-170.9-56.1177.1-176.9-178.20111.7K95K93-K95 PolarHBondContact O-N 3.14Å
94P42.8Very low42.8Very low130 Ų130146.6 Ų146.684%0.84477%0.768SS**PPolyproline II helixtrans-66.9128.2177.126.8-33.4000110.8
95K48.9Very low42.5Very low204 Ų204142.3 Ų142.389%0.88776%0.759SS**PPolyproline II helixtrans-80144.9165.9-78.1-175.6175.6179.30109.3K93 S97K93-K95 PolarHBondContact O-N 3.14Å; K95-S97 PolarHBondContact O-N 3.33Å
96K50.9Low42.2Very low216 Ų216144.2 Ų144.294%0.93977%0.773SS**PPolyproline II helixtrans-60.4122.9-172.7-58.2-175.2179.1-173.20111.6
97S38.8Very low41.9Very low116 Ų116145 Ų14581%0.81178%0.781SS**PPolyproline II helixtrans-96.8157.2156.7-1680000109.5K95K95-S97 PolarHBondContact O-N 3.33Å
98K47.1Very low42.3Very low192 Ų192140.6 Ų140.684%0.83578%0.779SS**  trans-141.1106.3-175-179.6-169168.4-178.20111.6
99S50.4Low42.5Very low94 Ų94139.4 Ų139.466%0.65778%0.784SS**  trans-169.1108.9158.7500000105.2
100D39.6Very low42.1Very low143 Ų143137.8 Ų137.877%0.76579%0.786SS**  65133.193.3-60.8-44.7000113.1
101L36Very low42.5Very low147 Ų147138.8 Ų138.877%0.7779%0.794SS**  cis172.290.6-21.9169.768.9000104.2V103L101-V103 HydrophobicContact CD1-CG2 3.67Å; L101-V103 HydrophobicContact CG-CG2 4.21Å
102A40.7Very low41.9Very low96 Ų96141.4 Ų141.479%0.79380%0.795SS**  trans-16393164.800000105.8
103V34.8Very low41.4Very low109 Ų109138.3 Ų138.366%0.66180%0.796SS**  6065.359.5-162.30000112.4L101L101-V103 HydrophobicContact CD1-CG2 3.67Å; L101-V103 HydrophobicContact CG-CG2 4.21Å
104S35.5Very low40.7Very low124 Ų124137.7 Ų137.787%0.86779%0.793SS**  trans-118.463143.4-73.20000108.5I106S104-I106 PolarHBondContact O-N 3.18Å
105S33.2Very low40.3Very low92 Ų92136.5 Ų136.564%0.64379%0.789SS**  trans-78.3103.9176.551.50000110.3
106I38.7Very low39.5Very low167 Ų167135 Ų13586%0.85679%0.789SS**  trans-70.2128.1157.7-56176.5000106.7S104S104-I106 PolarHBondContact O-N 3.18Å
107S38Very low39.3Very low110 Ų110129.8 Ų129.877%0.76978%0.778SS**  trans-70.4143.2-164.4-47.40000114.6
108P49.5Very low39Very low115 Ų115134.1 Ų134.175%0.74778%0.776SS**  -109.4170125.636.3-33.2000110.2
109P47.9Very low38.6Very low123 Ų123129.6 Ų129.680%0.79977%0.769SS**  cis-129.3179.73.742.5-28.4000114.5
110S29.4Very low37.9Very low118 Ų118131.7 Ų131.783%0.82578%0.777SS**  trans-152.5140134.2-163.70000110.2
111P49.8Very low37.5Very low114 Ų114133.2 Ų133.274%0.7478%0.78SS**  trans-119118.4-169.937.2-23.3000115.3
112E30.2Very low37.8Very low185 Ų185131.4 Ų131.486%0.86478%0.778SS**  trans-158.2130.4152.9-109.9170.5159.600107.1
113S36.8Very low37.6Very low114 Ų114131.9 Ų131.980%0.79777%0.773SS**  cis-155.7-177.846.252.20000113.1
114K36.6Very low37.5Very low182 Ų182131.2 Ų131.279%0.79177%0.773SS**  trans-78143.5-175-55.3121.2-177.21710110.4
115S33.2Very low37.8Very low106 Ų106135.8 Ų135.874%0.74177%0.772SS**  177140.569.943.70000115.1
116L32.9Very low38Very low172 Ų172136.2 Ų136.290%0.90177%0.767SS**  trans61.8156.4149.2-64.1173.6000122.3
117P45.1Very low38.2Very low107 Ų107139.3 Ų139.370%0.69577%0.768SS**  trans-123.6159.9-165.942.1-28.1000116.4
118R34.4Very low38.4Very low206 Ų206142.9 Ų142.978%0.77777%0.765SS**  trans-174.1109.1140.7-103.8-171.9-179.294.3-5.3108
119S37.7Very low38.6Very low98 Ų98146.7 Ų146.769%0.68577%0.772SS**  67.490.795.172.60000114
120V35.9Very low38.7Very low138 Ų138143.5 Ų143.584%0.83675%0.753SS**  trans-92120148.7176.90000105.7C122V120-C122 PolarHBondContact O-N 2.81Å
121E31.6Very low40.1Very low175 Ų175147.6 Ų147.682%0.81875%0.75SS**  trans-82.6102.4-179.4-165.7152.814500109.6P123E121-P123 WeakPolarHBondContact O-CD 3.47Å
122C40.8Very low40.6Very low108 Ų108146.7 Ų146.773%0.7374%0.739SS**PPolyproline II helixtrans-65124.1166.1-61.20000107.9V120 S124V120-C122 PolarHBondContact O-N 2.81Å; C122-S124 PolarHBondContact O-N 3Å; C122-S124 VanDerWaalsContact O-N 3.1Å
123P37Very low42.3Very low106 Ų106145.4 Ų145.469%0.68873%0.731SS**PPolyproline II helixtrans-54.4121.7178-27.135.3000110.5E121 W125E121-P123 WeakPolarHBondContact O-CD 3.47Å; P123-W125 VanDerWaalsContact O-CD1 3.3Å; P123-W125 PolarHBondContact O-N 2.97Å
124S32.8Very low44.4Very low96 Ų96146 Ų14667%0.67173%0.725SS**PPolyproline II helixtrans-67118.5172.858.70000108.6C122 D126C122-S124 PolarHBondContact O-N 3Å; C122-S124 VanDerWaalsContact O-N 3.1Å; S124-D126 PolarHBondContact O-N 2.88Å
125W42Very low46.5Very low219 Ų219143.4 Ų143.483%0.8372%0.716SS**  trans-74.284.3175.5-74.467.3000108.2P123 W127P123-W125 VanDerWaalsContact O-CD1 3.3Å; P123-W125 PolarHBondContact O-N 2.97Å; W125-W127 PolarHBondContact O-N 3.02Å
126D37.1Very low48.8Very low101 Ų101143.2 Ų143.254%0.5471%0.706SS.*  trans-58.693172.4-103.310000109.4S124 R128S124-D126 PolarHBondContact O-N 2.88Å; D126-R128 PolarHBondContact O-N 3.26Å; D126-R128 IonicContact OD2-CZ 3.81Å; D126-R128 IonicContact OD2-NH1 2.68Å; D126-R128 PolarHBondContact OD2-NH1 3.21Å; D126-R128 IonicContact OD2-NH2 2.76Å; D126-R128 PolarHBondContact OD2-NH2 2.9Å
127W42.8Very low51Low232 Ų232138 Ų13888%0.87968%0.684SS**  trans-69.569.2166-65.895.7000109.7W125W125-W127 PolarHBondContact O-N 3.02Å
128R43.4Very low52.9Low186 Ų186137.8 Ų137.870%0.70267%0.673SS**  trans-62.4134.3164-103.7-176.5-75.8-68.7-2.3108.1D126 S130D126-R128 PolarHBondContact O-N 3.26Å; D126-R128 IonicContact OD2-CZ 3.81Å; D126-R128 IonicContact OD2-NH1 2.68Å; D126-R128 PolarHBondContact OD2-NH1 3.21Å; D126-R128 IonicContact OD2-NH2 2.76Å; D126-R128 PolarHBondContact OD2-NH2 2.9Å; R128-S130 PolarHBondContact O-N 3.12Å
129E53.8Low55.4Low195 Ų195132.8 Ų132.891%0.91166%0.661SS**  trans-70.995.7-174.8-70163.4122.700110.2
130S50.4Low57.7Low56 Ų56133.5 Ų133.539%0.39266%0.657SS.*  trans-56.3129.1178.9-91.30000113R128 D132R128-S130 PolarHBondContact O-N 3.12Å; S130-D132 WeakPolarHBondContact CB-OD1 3.36Å; S130-D132 WeakPolarHBondContact CB-OD2 3.43Å; S130-D132 PolarHBondContact O-N 3.48Å; S130-D132 VanDerWaalsContact OG-CG 3.24Å; S130-D132 PolarHBondContact OG-OD1 3.13Å; S130-D132 PolarHBondContact OG-OD2 2.92Å
131R58Low60.1Low204 Ų204133 Ų13377%0.7765%0.645SS**THydrogen-bonded Turntrans-68.4-15.8168-83.9173.8-85.3-90.9-2.1112.4F133 D134R131-F133 PolarHBondContact O-N 2.87Å; R131-D134 PolarHBondContact O-N 2.94Å
132D59.6Low62.6Low94 Ų94128.7 Ų128.750%0.50363%0.625SS.*Hα-helixtrans-57-23.1-174.8-26.3-10.2000112.4S130 E135 L136S130-D132 WeakPolarHBondContact CB-OD1 3.36Å; S130-D132 WeakPolarHBondContact CB-OD2 3.43Å; S130-D132 PolarHBondContact O-N 3.48Å; S130-D132 VanDerWaalsContact OG-CG 3.24Å; S130-D132 PolarHBondContact OG-OD1 3.13Å; S130-D132 PolarHBondContact OG-OD2 2.92Å; D132-E135 PolarHBondContact O-N 3.37Å; D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 PolarHBondContact O-N 3.02Å
133F67.3Low64.4Low159 Ų159126.6 Ų126.670%0.69761%0.611SS**Hα-helixtrans-65.4-35.9171.6-81-78.3000113.6R131 S137R131-F133 PolarHBondContact O-N 2.87Å; F133-S137 VanDerWaalsContact O-CB 3.22Å; F133-S137 WeakPolarHBondContact O-CB 3.42Å; F133-S137 PolarHBondContact O-N 3.39Å
134D79.4Confident66.7Low125 Ų125128.6 Ų128.667%0.66861%0.609SS**Hα-helixtrans-72.8-36.6177.1-74.9-36.2000110.9R131 S137 H138R131-D134 PolarHBondContact O-N 2.94Å; D134-S137 WeakPolarHBondContact O-CB 3.25Å; D134-S137 PolarHBondContact O-N 3.39Å; D134-H138 WeakPolarHBondContact O-CB 3.41Å; D134-H138 PolarHBondContact O-N 2.96Å
135E80.8Confident69.4Low129 Ų129129.6 Ų129.660%0.60360%0.602SS**Hα-helixtrans-65.6-46.3174-64.2-176.3-171.800111.5D132 S137 H138 I139D132-E135 PolarHBondContact O-N 3.37Å; E135-S137 VanDerWaalsContact C-N 3.29Å; E135-S137 PolarHBondContact O-N 3.43Å; E135-H138 WeakPolarHBondContact O-CB 3.22Å; E135-H138 PolarHBondContact O-N 3.07Å; E135-H138 VanDerWaalsContact O-N 3.13Å; E135-I139 WeakPolarHBondContact O-CG1 3.45Å; E135-I139 PolarHBondContact O-N 3.48Å
136L81.7Confident71.6Confident101 Ų101125.1 Ų125.153%0.52959%0.593SS.*Hα-helixtrans-63.2-36.8175.4-164.373000111.8D132 I139 L140D132-L136 WeakPolarHBondContact O-CB 3.45Å; D132-L136 PolarHBondContact O-N 3.02Å; L136-I139 PolarHBondContact O-N 3.36Å; L136-L140 HydrophobicContact CG-CD1 4.42Å; L136-L140 WeakPolarHBondContact O-CB 3.38Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.41Å; L136-L140 PolarHBondContact O-N 2.98Å
137S78.5Confident74Confident62 Ų62122.1 Ų122.143%0.43459%0.586SS.*Hα-helixtrans-63.6-41.9172.6-168.60000111.8F133 D134 E135 L140 Q141F133-S137 VanDerWaalsContact O-CB 3.22Å; F133-S137 WeakPolarHBondContact O-CB 3.42Å; F133-S137 PolarHBondContact O-N 3.39Å; D134-S137 WeakPolarHBondContact O-CB 3.25Å; D134-S137 PolarHBondContact O-N 3.39Å; E135-S137 VanDerWaalsContact C-N 3.29Å; E135-S137 PolarHBondContact O-N 3.43Å; S137-L140 PolarHBondContact O-N 3.3Å; S137-Q141 WeakPolarHBondContact O-CB 3.33Å; S137-Q141 PolarHBondContact O-N 3.29Å
138H85.6Confident76.2Confident103 Ų103117.5 Ų117.548%0.47757%0.572SS.*Hα-helixtrans-60.1-50.5174.8-163-94000111.1D134 E135 L140 Q141 E142D134-H138 WeakPolarHBondContact O-CB 3.41Å; D134-H138 PolarHBondContact O-N 2.96Å; E135-H138 WeakPolarHBondContact O-CB 3.22Å; E135-H138 PolarHBondContact O-N 3.07Å; E135-H138 VanDerWaalsContact O-N 3.13Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 3.48Å; H138-Q141 CarbonylContact O-C 3.6Å; H138-Q141 WeakPolarHBondContact O-CA 3.3Å; H138-Q141 PolarHBondContact O-N 2.61Å; H138-E142 IonicContact CE1-OE1 2.69Å; H138-E142 PolarHBondContact CE1-OE1 2.92Å; H138-E142 VanDerWaalsContact CE1-OE1 3.26Å; H138-E142 IonicContact CE1-OE2 3.83Å; H138-E142 PolarHBondContact CE1-OE2 3.46Å; H138-E142 VanDerWaalsContact ND1-CD 3.27Å; H138-E142 IonicContact ND1-OE1 2.64Å; H138-E142 IonicContact ND1-OE2 3.26Å; H138-E142 PolarHBondContact ND1-OE2 3.27Å; H138-E142 WeakPolarHBondContact O-CG 3.46Å; H138-E142 PolarHBondContact O-N 2.92Å
139I86.9Confident78.3Confident101 Ų101111.4 Ų111.452%0.51856%0.562SS.*Hα-helixtrans-59.7-42.1178.3-66.3162.3000111.5E135 L136 Q141 E142 S143E135-I139 WeakPolarHBondContact O-CG1 3.45Å; E135-I139 PolarHBondContact O-N 3.48Å; L136-I139 PolarHBondContact O-N 3.36Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.48Å; I139-E142 PolarHBondContact O-N 2.81Å; I139-S143 WeakPolarHBondContact O-CB 3.47Å; I139-S143 PolarHBondContact O-N 2.95Å; I139-S143 PolarHBondContact O-OG 3.3Å
140L86.7Confident79.9Confident114 Ų114107.4 Ų107.460%0.59755%0.546SS*.Hα-helixtrans-66.2-31174.3-75.5168.5000112.8L136 S137 H138 S143 K144L136-L140 HydrophobicContact CG-CD1 4.42Å; L136-L140 WeakPolarHBondContact O-CB 3.38Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.41Å; L136-L140 PolarHBondContact O-N 2.98Å; S137-L140 PolarHBondContact O-N 3.3Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 3.48Å; L140-S143 WeakPolarHBondContact CA-OG 3.49Å; L140-S143 PolarHBondContact O-OG 2.99Å; L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 PolarHBondContact O-N 3.49Å
141Q85.5Confident81.5Confident127 Ų127109.5 Ų109.559%0.59355%0.55SS*.Hα-helixtrans-80.9-28.4175.5-171.2155.2-18.800112.6S137 H138 I139 K145S137-Q141 WeakPolarHBondContact O-CB 3.33Å; S137-Q141 PolarHBondContact O-N 3.29Å; H138-Q141 CarbonylContact O-C 3.6Å; H138-Q141 WeakPolarHBondContact O-CA 3.3Å; H138-Q141 PolarHBondContact O-N 2.61Å; I139-Q141 VanDerWaalsContact C-N 3.31Å; I139-Q141 PolarHBondContact O-N 3.48Å; Q141-K145 WeakPolarHBondContact O-CG 3.39Å; Q141-K145 PolarHBondContact O-N 3.49Å
142E84.2Confident82.9Confident85 Ų85103.2 Ų103.240%0.39754%0.537SS..Hα-helixtrans-79-44.3176.7-71.8-166.5123.800113.5H138 I139 K144 K145 L146H138-E142 IonicContact CE1-OE1 2.69Å; H138-E142 PolarHBondContact CE1-OE1 2.92Å; H138-E142 VanDerWaalsContact CE1-OE1 3.26Å; H138-E142 IonicContact CE1-OE2 3.83Å; H138-E142 PolarHBondContact CE1-OE2 3.46Å; H138-E142 VanDerWaalsContact ND1-CD 3.27Å; H138-E142 IonicContact ND1-OE1 2.64Å; H138-E142 IonicContact ND1-OE2 3.26Å; H138-E142 PolarHBondContact ND1-OE2 3.27Å; H138-E142 WeakPolarHBondContact O-CG 3.46Å; H138-E142 PolarHBondContact O-N 2.92Å; I139-E142 PolarHBondContact O-N 2.81Å; E142-K144 PolarHBondContact O-N 3.19Å; E142-K145 HydrophobicContact CG-CD 4.35Å; E142-K145 CarbonylContact O-C 3.59Å; E142-K145 WeakPolarHBondContact O-CA 3.37Å; E142-K145 WeakPolarHBondContact O-CB 3.47Å; E142-K145 PolarHBondContact O-N 3.01Å; E142-K145 IonicContact OE1-NZ 2.87Å; E142-L146 PolarHBondContact O-N 3.46Å
143S80Confident84.2Confident63 Ų63103.2 Ų103.244%0.44154%0.536SS..Hα-helixtrans-55.2-34.8168.251.80000111.6I139 L140 L146 G147I139-S143 WeakPolarHBondContact O-CB 3.47Å; I139-S143 PolarHBondContact O-N 2.95Å; I139-S143 PolarHBondContact O-OG 3.3Å; L140-S143 WeakPolarHBondContact CA-OG 3.49Å; L140-S143 PolarHBondContact O-OG 2.99Å; S143-L146 PolarHBondContact O-N 3.39Å; S143-G147 PolarHBondContact O-N 3.35Å
144K84.7Confident85.1Confident148 Ų14899.1 Ų99.164%0.64353%0.528SS*.Hα-helixtrans-72.4-21.5172-168.6172.4-174.6173.20114.8L140 E142 K148L140-K144 WeakPolarHBondContact O-CB 3.46Å; L140-K144 PolarHBondContact O-N 3.49Å; E142-K144 PolarHBondContact O-N 3.19Å; K144-K148 WeakPolarHBondContact O-CG 3.44Å
145K89.6Confident85.2Confident118 Ų11899.3 Ų99.351%0.51352%0.519SS..Hα-helixtrans-75.4-47.9166.2-62.6166.1-162.2165.90109.7Q141 E142 G147 K148 A149Q141-K145 WeakPolarHBondContact O-CG 3.39Å; Q141-K145 PolarHBondContact O-N 3.49Å; E142-K145 HydrophobicContact CG-CD 4.35Å; E142-K145 CarbonylContact O-C 3.59Å; E142-K145 WeakPolarHBondContact O-CA 3.37Å; E142-K145 WeakPolarHBondContact O-CB 3.47Å; E142-K145 PolarHBondContact O-N 3.01Å; E142-K145 IonicContact OE1-NZ 2.87Å; K145-G147 PolarHBondContact O-N 3.45Å; K145-K148 WeakPolarHBondContact O-CB 3.33Å; K145-K148 PolarHBondContact O-N 3.32Å; K145-A149 PolarHBondContact O-N 3.47Å; K145-A149 VanDerWaalsContact O-N 3.07Å
146L87.4Confident85Confident124 Ų12495.9 Ų95.965%0.64951%0.509SS*.Hα-helixtrans-60.4-44.7-179-178.861.1000112E142 S143 K148 A149 L150E142-L146 PolarHBondContact O-N 3.46Å; S143-L146 PolarHBondContact O-N 3.39Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.25Å; L146-A149 WeakPolarHBondContact O-CB 3.31Å; L146-A149 PolarHBondContact O-N 3.41Å; L146-L150 PolarHBondContact O-N 3.16Å
147G88Confident84.6Confident38 Ų3895.3 Ų95.339%0.39251%0.506SS..Hα-helixtrans-56.7-40.1175.700000112.9S143 K145 L150 E151S143-G147 PolarHBondContact O-N 3.35Å; K145-G147 PolarHBondContact O-N 3.45Å; G147-L150 PolarHBondContact O-N 2.93Å; G147-E151 VanDerWaalsContact O-CB 3.31Å; G147-E151 WeakPolarHBondContact O-CB 3.25Å; G147-E151 PolarHBondContact O-N 2.79Å
148K88.9Confident84.1Confident135 Ų13595 Ų9559%0.58751%0.507SS*.Hα-helixtrans-69-36.4174.7-69.7177.9175.9-172.20113K144 K145 L146 S152K144-K148 WeakPolarHBondContact O-CG 3.44Å; K145-K148 WeakPolarHBondContact O-CB 3.33Å; K145-K148 PolarHBondContact O-N 3.32Å; L146-K148 VanDerWaalsContact C-N 3.28Å; L146-K148 PolarHBondContact O-N 3.25Å; K148-S152 VanDerWaalsContact O-CB 3.31Å; K148-S152 WeakPolarHBondContact O-CB 3.43Å; K148-S152 PolarHBondContact O-N 3.2Å
149A87.5Confident82.9Confident58 Ų5895.5 Ų95.548%0.47951%0.512SS..Hα-helixtrans-65.1-42.3174.800000110.8K145 L146 S152 L153K145-A149 PolarHBondContact O-N 3.47Å; K145-A149 VanDerWaalsContact O-N 3.07Å; L146-A149 WeakPolarHBondContact O-CB 3.31Å; L146-A149 PolarHBondContact O-N 3.41Å; A149-S152 WeakPolarHBondContact O-CB 3.3Å; A149-S152 PolarHBondContact O-N 2.91Å; A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 PolarHBondContact O-N 3.35Å
150L87.3Confident81.5Confident112 Ų11294.1 Ų94.159%0.58651%0.511SS*.Hα-helixtrans-65.6-42.3175-17562.2000112.3L146 G147 S152 L153 S154L146-L150 PolarHBondContact O-N 3.16Å; G147-L150 PolarHBondContact O-N 2.93Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3.33Å; L150-L153 PolarHBondContact O-N 2.96Å; L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 3.3Å; L150-S154 PolarHBondContact O-N 3Å
151E84.9Confident80.1Confident100 Ų10093.9 Ų93.947%0.46751%0.511SS..Hα-helixtrans-65.9-30.5174.7-157.6-161.9140.500111.9G147 R155G147-E151 VanDerWaalsContact O-CB 3.31Å; G147-E151 WeakPolarHBondContact O-CB 3.25Å; G147-E151 PolarHBondContact O-N 2.79Å; E151-R155 VanDerWaalsContact CG-NH2 3.35Å; E151-R155 WeakPolarHBondContact O-CB 3.26Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 PolarHBondContact O-NE 3.43Å; E151-R155 IonicContact OE1-CZ 2.69Å; E151-R155 IonicContact OE1-NH1 3.14Å; E151-R155 PolarHBondContact OE1-NH1 3.37Å; E151-R155 IonicContact OE1-NH2 2.67Å; E151-R155 PolarHBondContact OE1-NH2 3.1Å; E151-R155 IonicContact OE2-NH2 2.67Å
152S87.4Confident78.8Confident72 Ų7295.1 Ų95.150%0.50352%0.516SS..Hα-helixtrans-73.3-41.8171.4-165.70000112.1K148 A149 L150 R155 S156K148-S152 VanDerWaalsContact O-CB 3.31Å; K148-S152 WeakPolarHBondContact O-CB 3.43Å; K148-S152 PolarHBondContact O-N 3.2Å; A149-S152 WeakPolarHBondContact O-CB 3.3Å; A149-S152 PolarHBondContact O-N 2.91Å; L150-S152 VanDerWaalsContact C-N 3.28Å; L150-S152 PolarHBondContact O-N 3.33Å; S152-R155 PolarHBondContact O-N 3.33Å; S152-S156 PolarHBondContact O-N 3.37Å; S152-S156 PolarHBondContact O-OG 3.38Å
153L86.9Confident77.4Confident93 Ų9395.9 Ų95.949%0.48752%0.523SS..Hα-helixtrans-64.3-47.9177178.760.8000110.8A149 L150 R155 S156 I157A149-L153 WeakPolarHBondContact O-CB 3.36Å; A149-L153 PolarHBondContact O-N 3.35Å; L150-L153 PolarHBondContact O-N 2.96Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.05Å; L153-S156 WeakPolarHBondContact CA-OG 3.44Å; L153-S156 PolarHBondContact O-N 3.48Å; L153-S156 PolarHBondContact O-OG 2.86Å; L153-I157 HydrophobicContact CD1-CD1 4.12Å; L153-I157 HydrophobicContact CD1-CG1 4.35Å; L153-I157 HydrophobicContact CG-CD1 3.95Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 3.4Å
154S85.1Confident76.1Confident74 Ų7498.8 Ų98.852%0.51753%0.533SS..Hα-helixtrans-56.8-43.6175175.80000111.9L150 I157 A158L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 3.3Å; L150-S154 PolarHBondContact O-N 3Å; S154-I157 PolarHBondContact O-N 3.19Å; S154-A158 PolarHBondContact O-N 3.39Å
155R81.4Confident74.7Confident129 Ų12999 Ų9949%0.48754%0.536SS..Hα-helixtrans-62.8-40.9171.3-83.9-174.5-76.9-107.6-1.9113.2E151 S152 L153 A158 I159E151-R155 VanDerWaalsContact CG-NH2 3.35Å; E151-R155 WeakPolarHBondContact O-CB 3.26Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 2.88Å; E151-R155 PolarHBondContact O-NE 3.43Å; E151-R155 IonicContact OE1-CZ 2.69Å; E151-R155 IonicContact OE1-NH1 3.14Å; E151-R155 PolarHBondContact OE1-NH1 3.37Å; E151-R155 IonicContact OE1-NH2 2.67Å; E151-R155 PolarHBondContact OE1-NH2 3.1Å; E151-R155 IonicContact OE2-NH2 2.67Å; S152-R155 PolarHBondContact O-N 3.33Å; L153-R155 VanDerWaalsContact C-N 3.32Å; L153-R155 PolarHBondContact O-N 3.05Å; R155-A158 PolarHBondContact O-N 3.12Å; R155-I159 WeakPolarHBondContact O-CD1 3.11Å; R155-I159 VanDerWaalsContact O-CG1 3.24Å; R155-I159 WeakPolarHBondContact O-CG1 3.31Å; R155-I159 PolarHBondContact O-N 3.36Å; R155-I159 VanDerWaalsContact O-N 3.1Å
156S76.3Confident72.7Confident57 Ų57100.9 Ų100.940%0.39955%0.547SS..Hα-helixtrans-66.7-36.3177.761.20000113.1S152 L153 I159 S160S152-S156 PolarHBondContact O-N 3.37Å; S152-S156 PolarHBondContact O-OG 3.38Å; L153-S156 WeakPolarHBondContact CA-OG 3.44Å; L153-S156 PolarHBondContact O-N 3.48Å; L153-S156 PolarHBondContact O-OG 2.86Å; S156-I159 PolarHBondContact O-N 2.88Å; S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.17Å
157I74.1Confident70.6Confident89 Ų89101 Ų10146%0.45654%0.542SS..Hα-helixtrans-65.3-48.1175.5-67.1164.5000110L153 S154 I159 S160 D161L153-I157 HydrophobicContact CD1-CD1 4.12Å; L153-I157 HydrophobicContact CD1-CG1 4.35Å; L153-I157 HydrophobicContact CG-CD1 3.95Å; L153-I157 WeakPolarHBondContact O-CG1 3.48Å; L153-I157 PolarHBondContact O-N 3.4Å; S154-I157 PolarHBondContact O-N 3.19Å; I157-I159 PolarHBondContact O-N 2.87Å; I157-S160 WeakPolarHBondContact O-CB 3.27Å; I157-S160 PolarHBondContact O-N 3.21Å; I157-D161 PolarHBondContact O-N 3.33Å
158A67.5Low68.8Low56 Ų56106.5 Ų106.546%0.46356%0.562SS.*Hα-helixtrans-59.5-31.6176.900000113.5S154 R155S154-A158 PolarHBondContact O-N 3.39Å; R155-A158 PolarHBondContact O-N 3.12Å
159I60.7Low66.8Low113 Ų113102.7 Ų102.758%0.57956%0.561SS**Hα-helixtrans-78.6-31.3175.2-67165.1000111.6R155 S156 I157 L163R155-I159 WeakPolarHBondContact O-CD1 3.11Å; R155-I159 VanDerWaalsContact O-CG1 3.24Å; R155-I159 WeakPolarHBondContact O-CG1 3.31Å; R155-I159 PolarHBondContact O-N 3.36Å; R155-I159 VanDerWaalsContact O-N 3.1Å; S156-I159 PolarHBondContact O-N 2.88Å; I157-I159 PolarHBondContact O-N 2.87Å; I159-L163 PolarHBondContact O-N 3.22Å
160S57.4Low64.7Low71 Ų71109.4 Ų109.450%0.49758%0.575SS.*Hα-helixtrans-66.9-39.1172.3-78.30000112.5S156 I157 E162 L163 D164S156-S160 PolarHBondContact O-N 2.87Å; S156-S160 PolarHBondContact O-OG 3.17Å; I157-S160 WeakPolarHBondContact O-CB 3.27Å; I157-S160 PolarHBondContact O-N 3.21Å; S160-E162 PolarHBondContact O-N 3.4Å; S160-L163 WeakPolarHBondContact O-CB 3.43Å; S160-L163 PolarHBondContact O-N 3.19Å; S160-D164 PolarHBondContact O-N 2.85Å
161D57.8Low62.9Low110 Ų110111.5 Ų111.559%0.58859%0.587SS**Hα-helixtrans-62.9-39177.6-72.8-14.6000112.2I157 L163 Q165I157-D161 PolarHBondContact O-N 3.33Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 3.38Å; D161-Q165 PolarHBondContact O-N 2.88Å
162E57.3Low60.6Low152 Ų152111.4 Ų111.471%0.7160%0.603SS**Hα-helixtrans-66.1-29.9172-76.4-165.4129.700112.8S160S160-E162 PolarHBondContact O-N 3.4Å
163L55.8Low58.9Low101 Ų101114.2 Ų114.253%0.52962%0.617SS.*Hα-helixtrans-75.4-41.6179.2-171.162.3000112.2I159 S160 D161 Q165 H166 F167I159-L163 PolarHBondContact O-N 3.22Å; S160-L163 WeakPolarHBondContact O-CB 3.43Å; S160-L163 PolarHBondContact O-N 3.19Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 3.38Å; L163-Q165 VanDerWaalsContact C-N 3.28Å; L163-Q165 PolarHBondContact O-N 3.38Å; L163-H166 CarbonylContact O-C 3.54Å; L163-H166 WeakPolarHBondContact O-CA 3.41Å; L163-H166 WeakPolarHBondContact O-CB 3.48Å; L163-H166 PolarHBondContact O-N 3.01Å; L163-F167 HydrophobicContact CD1-CD2 4Å; L163-F167 HydrophobicContact CD1-CE2 3.92Å; L163-F167 HydrophobicContact CG-CD2 4.17Å; L163-F167 HydrophobicContact CG-CE2 4.42Å; L163-F167 PolarHBondContact O-N 3.48Å
164D51.6Low56.9Low124 Ų124118.5 Ų118.566%0.66364%0.635SS**Hα-helixtrans-64-34.7176.7-111.721.1000111.5S160 H166 F167S160-D164 PolarHBondContact O-N 2.85Å; D164-H166 PolarHBondContact O-N 2.94Å; D164-F167 PolarHBondContact O-N 2.92Å
165Q56Low55.1Low152 Ų152125.4 Ų125.471%0.7165%0.65SS**Hα-helixtrans-58.5-27.3171.1-155.593.1132.800112.9D161 L163D161-Q165 PolarHBondContact O-N 2.88Å; L163-Q165 VanDerWaalsContact C-N 3.28Å; L163-Q165 PolarHBondContact O-N 3.38Å
166H47.1Very low53.3Low159 Ų159125.4 Ų125.474%0.73667%0.666SS**THydrogen-bonded Turntrans-94.5-2.5179-154.7-63000113.5L163 D164L163-H166 CarbonylContact O-C 3.54Å; L163-H166 WeakPolarHBondContact O-CA 3.41Å; L163-H166 WeakPolarHBondContact O-CB 3.48Å; L163-H166 PolarHBondContact O-N 3.01Å; D164-H166 PolarHBondContact O-N 2.94Å
167F43.9Very low52Low126 Ų126133.8 Ų133.855%0.55369%0.689SS**  trans-11616.9-176-94.1-82000115.6L163 D164 G169L163-F167 HydrophobicContact CD1-CD2 4Å; L163-F167 HydrophobicContact CD1-CE2 3.92Å; L163-F167 HydrophobicContact CG-CD2 4.17Å; L163-F167 HydrophobicContact CG-CE2 4.42Å; L163-F167 PolarHBondContact O-N 3.48Å; D164-F167 PolarHBondContact O-N 2.92Å; F167-G169 PolarHBondContact O-N 3.34Å
168L50.4Low50.8Low154 Ų154135.6 Ų135.681%0.80670%0.704SS**THydrogen-bonded Turntrans-62.532.2174-77.7165.7000116
169G46.3Very low49.9Very low55 Ų55139.5 Ų139.557%0.56772%0.722SS**THydrogen-bonded Turntrans-134.1-19-178.500000116.8F167F167-G169 PolarHBondContact O-N 3.34Å
170Y43.8Very low49.3Very low198 Ų198136.6 Ų136.678%0.77672%0.72SS**SBendtrans-140.997.1-170.6-66.3-73.1000115.3
171N48.5Very low48.6Very low157 Ų157141.6 Ų141.684%0.8474%0.735SS**  trans16.598.5155.4-58.2-58.1000119
172A36.8Very low48.1Very low97 Ų97147.9 Ų147.980%0.80275%0.751SS**  trans-107.268.717000000112.8Q174A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 2.92Å
173V52.1Low47.8Very low131 Ų131146.5 Ų146.579%0.79475%0.752SS**  trans-83.474.8172.7-1730000110.3
174Q46.2Very low47.6Very low184 Ų184145 Ų14586%0.8676%0.761SS**  trans-133.592.1170.3-68.9-164.877.400110.6A172A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 2.92Å
175R46.8Very low47.1Very low219 Ų219149.6 Ų149.683%0.82677%0.769SS**  trans-69148.6166.2-69.8-177173109.7-4109.8R177R175-R177 PolarHBondContact O-N 3.34Å
176P43.2Very low46.8Very low128 Ų128149.5 Ų149.583%0.83177%0.769SS**  trans-54.5128.8165.5-22.733.5000110.3V178P176-V178 PolarHBondContact O-N 3.22Å
177R48Very low47.2Very low234 Ų234150.2 Ų150.288%0.88378%0.778SS**  trans-85105.1172.8-73.4-176.3176.4-121.12.3109.2R175R175-R177 PolarHBondContact O-N 3.34Å
178V49.9Very low47.8Very low126 Ų126149.5 Ų149.576%0.76478%0.784SS**  trans-65.4130.1157.9177.60000107.4P176P176-V178 PolarHBondContact O-N 3.22Å
179V47.8Very low47.9Very low139 Ų139148.2 Ų148.284%0.84278%0.778SS**  trans-118.5104.4175.3178.10000107.5
180G49.1Very low48.5Very low52 Ų52150.2 Ų150.254%0.53679%0.789SS.*  trans174.4132.8-179.300000109.4
181E43.3Very low49.7Very low175 Ų175144.4 Ų144.482%0.81877%0.771SS**  trans-93.9108.1177.9-167.3179.515700108.6V183E181-V183 VanDerWaalsContact C-N 3.27Å; E181-V183 HydrophobicContact CB-CG2 4.49Å; E181-V183 HydrophobicContact CG-CG2 3.82Å; E181-V183 PolarHBondContact O-N 3.08Å
182W46.5Very low50.4Low243 Ų243142.1 Ų142.192%0.9277%0.765SS**  trans-8076.5177.3-72.391.5000110.2G184W182-G184 PolarHBondContact O-N 3.32Å
183V50.3Low51.1Low123 Ų123142.7 Ų142.775%0.74575%0.754SS**  trans-75.1118.7171.3-176.70000109E181E181-V183 VanDerWaalsContact C-N 3.27Å; E181-V183 HydrophobicContact CB-CG2 4.49Å; E181-V183 HydrophobicContact CG-CG2 3.82Å; E181-V183 PolarHBondContact O-N 3.08Å
184G51.3Low51.4Low69 Ų69138.7 Ų138.771%0.71174%0.735SS**  trans124.866.6164.800000117.4W182W182-G184 PolarHBondContact O-N 3.32Å
185R41.8Very low52Low221 Ų221132.6 Ų132.683%0.83472%0.716SS**  trans-144.5153.3135.4-85.1-140.3-87.5-94.613.5108.3
186E50.8Low52.5Low150 Ų150129.1 Ų129.170%0.70171%0.709SS**  trans-87.7151.7162.870.2162.1-103.600110.1T188E186-T188 PolarHBondContact O-N 2.96Å; E186-T188 VanDerWaalsContact OE1-CB 3.24Å; E186-T188 WeakPolarHBondContact OE1-CB 3.04Å; E186-T188 PolarHBondContact OE1-OG1 3.18Å
187D55.6Low53Low174 Ų174130.6 Ų130.693%0.9371%0.707SS**SBendtrans-80.538.6-171.7-60-64.1000113.4
188T56.4Low53.3Low110 Ų110126.4 Ų126.468%0.67570%0.701SS**  trans-130.426.1-173.7-25.20000114.3E186E186-T188 PolarHBondContact O-N 2.96Å; E186-T188 VanDerWaalsContact OE1-CB 3.24Å; E186-T188 WeakPolarHBondContact OE1-CB 3.04Å; E186-T188 PolarHBondContact OE1-OG1 3.18Å
189D52.6Low53.2Low128 Ų128126.6 Ų126.668%0.68469%0.694SS**  trans-107.4103.3165.5-170.59.1000110D191D189-D191 PolarHBondContact O-N 2.67Å
190A58.9Low53.2Low96 Ų96124.8 Ų124.879%0.79369%0.685SS**  trans-99.255.4-17200000111.9P192A190-P192 VanDerWaalsContact O-CD 3.29Å; A190-P192 WeakPolarHBondContact O-CD 3.41Å
191D68.8Low53Low76 Ų76128.3 Ų128.341%0.40670%0.698SS.*  trans-57.6114.9169.2171.522.2000110.2D189 L193 A194D189-D191 PolarHBondContact O-N 2.67Å; D191-L193 PolarHBondContact O-N 3.03Å; D191-L193 VanDerWaalsContact OD1-CB 3.29Å; D191-L193 WeakPolarHBondContact OD1-CB 3.48Å; D191-L193 PolarHBondContact OD1-N 3.48Å; D191-A194 HydrophobicContact CB-CB 4.14Å; D191-A194 PolarHBondContact O-N 3.06Å; D191-A194 WeakPolarHBondContact OD2-CB 3.21Å; D191-A194 PolarHBondContact OD2-N 2.9Å; D191-A194 VanDerWaalsContact OD2-N 3.12Å
192P61.6Low53.1Low109 Ų109128.3 Ų128.371%0.70870%0.696SS**Hα-helixtrans-66.4-22.5-179.928.5-35.3000112.8A190A190-P192 VanDerWaalsContact O-CD 3.29Å; A190-P192 WeakPolarHBondContact O-CD 3.41Å
193L51.5Low52.9Low110 Ų110122.3 Ų122.358%0.57669%0.688SS**Hα-helixtrans-76.1-41.5-178.9-16767.9000111.7D191 A195 E196 M197D191-L193 PolarHBondContact O-N 3.03Å; D191-L193 VanDerWaalsContact OD1-CB 3.29Å; D191-L193 WeakPolarHBondContact OD1-CB 3.48Å; D191-L193 PolarHBondContact OD1-N 3.48Å; L193-A195 PolarHBondContact O-N 3.49Å; L193-E196 PolarHBondContact O-N 3.35Å; L193-E196 VanDerWaalsContact O-N 3.14Å; L193-M197 PolarHBondContact O-N 2.86Å
194A58.9Low52.5Low46 Ų46128.3 Ų128.338%0.3870%0.697SS.*Hα-helixtrans-57.9-33.1174.600000113.1D191D191-A194 HydrophobicContact CB-CB 4.14Å; D191-A194 PolarHBondContact O-N 3.06Å; D191-A194 WeakPolarHBondContact OD2-CB 3.21Å; D191-A194 PolarHBondContact OD2-N 2.9Å; D191-A194 VanDerWaalsContact OD2-N 3.12Å
195A58.2Low51.8Low57 Ų57129 Ų12947%0.47170%0.696SS.*Hα-helixtrans-67.9-34.7177.300000112.9L193 H199L193-A195 PolarHBondContact O-N 3.49Å; A195-H199 PolarHBondContact O-CE1 3.07Å; A195-H199 PolarHBondContact O-ND1 3.22Å
196E57.3Low51.7Low146 Ų146126.5 Ų126.568%0.68269%0.692SS**Hα-helixtrans-69.4-46.3177.7-170.9172.2174.600111.1L193 L198 H199L193-E196 PolarHBondContact O-N 3.35Å; L193-E196 VanDerWaalsContact O-N 3.14Å; E196-L198 PolarHBondContact O-N 2.7Å; E196-H199 PolarHBondContact O-N 3.45Å
197M54.8Low50.8Low159 Ų159126 Ų12678%0.78370%0.699SS**Hα-helixtrans-62.8-16.6-175.3-67-16472.400115.2L193L193-M197 PolarHBondContact O-N 2.86Å
198L53.9Low50Low146 Ų146124.5 Ų124.576%0.76469%0.686SS**THydrogen-bonded Turntrans-92-0.7-179.7-67.2176.9000114.5E196 P200E196-L198 PolarHBondContact O-N 2.7Å; L198-P200 WeakPolarHBondContact O-CD 3.32Å
199H48.7Very low48.8Very low130 Ų130125.7 Ų125.760%0.60269%0.693SS**PPolyproline II helixtrans-82.3117.5179.2-76.287.2000112.9A195 E196A195-H199 PolarHBondContact O-CE1 3.07Å; A195-H199 PolarHBondContact O-ND1 3.22Å; E196-H199 PolarHBondContact O-N 3.45Å
200P47.5Very low47.6Very low101 Ų101123.8 Ų123.866%0.65669%0.689SS**PPolyproline II helixtrans-70.8147.5171-13.730.3000110.9L198 F202L198-P200 WeakPolarHBondContact O-CD 3.32Å; P200-F202 PolarHBondContact O-N 3.06Å; P200-F202 VanDerWaalsContact O-N 3.13Å
201P45.5Very low46.1Very low126 Ų126131.6 Ų131.682%0.81870%0.698SS**PPolyproline II helixtrans-63.3116.917925-33.8000111.5P203P201-P203 VanDerWaalsContact O-CD 3.32Å; P201-P203 WeakPolarHBondContact O-CD 3.43Å
202F44.3Very low44.3Very low174 Ų174133 Ų13376%0.76371%0.714SS**PPolyproline II helixtrans-58.5116.9-175.1-83.6-92.4000113.3P200 R204P200-F202 PolarHBondContact O-N 3.06Å; P200-F202 VanDerWaalsContact O-N 3.13Å; F202-R204 PolarHBondContact O-N 3.19Å; F202-R204 VanDerWaalsContact O-N 3.1Å
203P42.2Very low42.7Very low118 Ų118131.5 Ų131.577%0.76672%0.718SS**  trans-74.8101.8171.230.4-32.3000109.7P201 A205P201-P203 VanDerWaalsContact O-CD 3.32Å; P201-P203 WeakPolarHBondContact O-CD 3.43Å; P203-A205 VanDerWaalsContact C-N 3.28Å; P203-A205 PolarHBondContact O-N 3.3Å
204R42.1Very low41.6Very low248 Ų248134.9 Ų134.994%0.93673%0.731SS**  trans-70.977179.5-66.8-168.1-175-1663112.6F202F202-R204 PolarHBondContact O-N 3.19Å; F202-R204 VanDerWaalsContact O-N 3.1Å
205A36.6Very low40.1Very low84 Ų84140.9 Ų140.969%0.69476%0.757SS**  trans-86.6114167.400000110.7P203P203-A205 VanDerWaalsContact C-N 3.28Å; P203-A205 PolarHBondContact O-N 3.3Å
206K39.6Very low39.2Very low169 Ų169143.5 Ų143.574%0.73577%0.772SS**  trans30.4103.6154.9-69.9164.9151.1-94.60117.9E208K206-E208 WeakPolarHBondContact CG-OE1 3.3Å; K206-E208 IonicContact NZ-OE1 2.67Å; K206-E208 PolarHBondContact NZ-OE1 2.88Å
207T32.2Very low39Very low138 Ų138141.8 Ų141.885%0.84777%0.773SS**  trans-115116.7148.7-51.50000107.9V209T207-V209 HydrophobicContact CG2-CG2 4.49Å
208E37.6Very low37.7Very low143 Ų143141 Ų14167%0.66878%0.777SS**  trans-121.5101.5-177.133.6-158.6124.700109.5K206K206-E208 WeakPolarHBondContact CG-OE1 3.3Å; K206-E208 IonicContact NZ-OE1 2.67Å; K206-E208 PolarHBondContact NZ-OE1 2.88Å
209V31.1Very low36.6Very low136 Ų136145 Ų14582%0.82478%0.782SS**  trans-129.1135.7176.1176.40000109.2T207T207-V209 HydrophobicContact CG2-CG2 4.49Å
210C29.2Very low35.9Very low88 Ų88145 Ų14560%0.59580%0.796SS**  trans-82.1148.9-163.4-1710000114.2S212C210-S212 PolarHBondContact SG-OG 3.42Å
211W27.4Very low35.7Very low259 Ų259148.1 Ų148.198%0.98181%0.807SS**  trans-129130.1137.5-82.8105.2000108.7
212S30.2Very low35.3Very low106 Ų106151.5 Ų151.574%0.74181%0.808SS**  trans-86.1148.2-176.5-63.70000112.5C210C210-S212 PolarHBondContact SG-OG 3.42Å
213G28.3Very low35.6Very low78 Ų78152.1 Ų152.180%0.80482%0.816SS**  trans-162.996169.700000109.5
214E27.6Very low35.2Very low180 Ų180152.9 Ų152.984%0.84181%0.809SS**  trans-84.6139.3-171.9-62.4173.4109.600112.4
215N27.5Very low35.3Very low173 Ų173146.7 Ų146.793%0.92580%0.799SS**  trans-169.1161.9135.3-100-49.8000111.1
216S39Very low36Very low111 Ų111153.3 Ų153.378%0.77681%0.812SS**  trans-120.5-160.1-151-149.40000114
217P53.3Low36.8Very low110 Ų110149 Ų14971%0.71480%0.803SS**  -129.8148-112.139.8-22.2000117.1
218V28Very low37.9Very low142 Ų142148.1 Ų148.186%0.86179%0.788SS**  trans-142.1111158.9-179.40000113.3
219R31.3Very low39Very low232 Ų232143.5 Ų143.588%0.87578%0.779SS**  trans16.8111.1140.7-173.2-173.5-168.4163.93.1118.9
220S32.8Very low40.7Very low128 Ų128143.3 Ų143.390%0.89577%0.772SS**  trans-158.8144.5132.3-91.70000114
221L43.7Very low43.1Very low168 Ų168145.7 Ų145.788%0.8877%0.772SS**  trans-95.9110.9-176.9177.889.3000110.3
222K37.9Very low45.7Very low197 Ų197139.8 Ų139.886%0.85776%0.756SS**  trans-154.7131.7157.9-143.7169.2-174.7177.40111.6E224K222-E224 PolarHBondContact O-N 3.47Å
223M51Low48.1Very low187 Ų187141.1 Ų141.192%0.92175%0.75SS**  trans-80.7105.1172.4-59.8175.7-171.500108.1
224E33.9Very low51Low134 Ų134144.1 Ų144.163%0.62674%0.743SS**  trans-108.5127.5174.7-165179.7-160.700109.9K222 K228K222-E224 PolarHBondContact O-N 3.47Å; E224-K228 WeakPolarHBondContact OE1-CE 3.15Å; E224-K228 IonicContact OE1-NZ 2.77Å; E224-K228 PolarHBondContact OE1-NZ 2.88Å; E224-K228 IonicContact OE2-NZ 2.65Å; E224-K228 PolarHBondContact OE2-NZ 3.4Å
225T42.8Very low53.9Low118 Ų118141.2 Ų141.272%0.72473%0.73SS**  trans-70.7133.6-177.644.20000111.3S227T225-S227 PolarHBondContact O-N 3.31Å
226K52.5Low56.8Low223 Ų223139.4 Ų139.497%0.9772%0.715SS**SBendtrans-69.884.8179.2-70.9-178.7175.6-179.70111.6
227S55.9Low59.2Low77 Ų77139.3 Ų139.354%0.53870%0.703SS.*  trans-125.4-11.8173.360.50000114.4T225 G229 L230T225-S227 PolarHBondContact O-N 3.31Å; S227-G229 PolarHBondContact O-N 3.23Å; S227-L230 PolarHBondContact O-N 3.21Å
228K55.1Low61.1Low121 Ų121141.6 Ų141.653%0.52670%0.701SS.*Hα-helixtrans-54.4-52.4-175.1-69.8178.5173.2169.70113.1E224 L230 K231 E232E224-K228 WeakPolarHBondContact OE1-CE 3.15Å; E224-K228 IonicContact OE1-NZ 2.77Å; E224-K228 PolarHBondContact OE1-NZ 2.88Å; E224-K228 IonicContact OE2-NZ 2.65Å; E224-K228 PolarHBondContact OE2-NZ 3.4Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.39Å; K228-K231 PolarHBondContact O-N 2.99Å; K228-K231 VanDerWaalsContact O-N 3.16Å; K228-E232 WeakPolarHBondContact O-CB 3.33Å; K228-E232 PolarHBondContact O-N 2.94Å
229G60.9Low64.2Low46 Ų46142.4 Ų142.447%0.47469%0.693SS.*Hα-helixtrans-59.2-33-175.500000115S227 Q233S227-G229 PolarHBondContact O-N 3.23Å; G229-Q233 WeakPolarHBondContact O-CB 3.45Å; G229-Q233 PolarHBondContact O-N 2.99Å
230L65.8Low67.1Low132 Ų132135.9 Ų135.969%0.69168%0.675SS**Hα-helixtrans-68.7-42.9178.4-174.271.2000111.5S227 K228 Q234S227-L230 PolarHBondContact O-N 3.21Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.39Å; L230-Q234 WeakPolarHBondContact O-CB 3.46Å; L230-Q234 PolarHBondContact O-N 3.38Å
231K80.4Confident69.8Low138 Ų138133.6 Ų133.660%0.665%0.653SS**Hα-helixtrans-68.9-37.9178.1-172.3176-179.2179.70111.4K228 Q234 Q235K228-K231 PolarHBondContact O-N 2.99Å; K228-K231 VanDerWaalsContact O-N 3.16Å; K231-Q234 PolarHBondContact O-N 3Å; K231-Q235 WeakPolarHBondContact O-CB 3.42Å; K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.26Å
232E81.1Confident71.9Confident135 Ų135127.9 Ų127.963%0.63163%0.63SS**Hα-helixtrans-68.8-42.6177.3-166.6160.6-147.300111.6K228 Q234 Q235 H236K228-E232 WeakPolarHBondContact O-CB 3.33Å; K228-E232 PolarHBondContact O-N 2.94Å; E232-Q234 PolarHBondContact O-N 3.49Å; E232-Q235 PolarHBondContact O-N 3.19Å; E232-H236 WeakPolarHBondContact O-CB 3.31Å; E232-H236 PolarHBondContact O-N 3.27Å
233Q82.4Confident74Confident134 Ų134120.7 Ų120.763%0.62661%0.607SS**Hα-helixtrans-60.7-42.7170.4-176.3-176.84.600111.9G229 H236 H237G229-Q233 WeakPolarHBondContact O-CB 3.45Å; G229-Q233 PolarHBondContact O-N 2.99Å; Q233-H236 PolarHBondContact O-N 3.18Å; Q233-H237 WeakPolarHBondContact O-CB 3.39Å; Q233-H237 PolarHBondContact O-N 3.38Å
234Q87.6Confident75.4Confident140 Ų140117.1 Ų117.165%0.65459%0.589SS**Hα-helixtrans-66.4-36.3177.1-170.9177.863.800112L230 K231 E232 K238L230-Q234 WeakPolarHBondContact O-CB 3.46Å; L230-Q234 PolarHBondContact O-N 3.38Å; K231-Q234 PolarHBondContact O-N 3Å; E232-Q234 PolarHBondContact O-N 3.49Å; Q234-K238 WeakPolarHBondContact O-CB 3.2Å; Q234-K238 PolarHBondContact O-N 2.87Å
235Q89.1Confident77.5Confident120 Ų120116.9 Ų116.956%0.56159%0.591SS**Hα-helixtrans-69.6-39.4172.6-76.1179.6-20.400112.3K231 E232 K238 K239K231-Q235 WeakPolarHBondContact O-CB 3.42Å; K231-Q235 WeakPolarHBondContact O-CG 3.31Å; K231-Q235 PolarHBondContact O-N 3.26Å; E232-Q235 PolarHBondContact O-N 3.19Å; Q235-K238 PolarHBondContact O-N 3.17Å; Q235-K239 WeakPolarHBondContact O-CB 3.29Å; Q235-K239 PolarHBondContact O-N 3.27Å
236H88.5Confident78.7Confident135 Ų135115.2 Ų115.263%0.62559%0.585SS**Hα-helixtrans-62.9-46.1173.8-174.6-88.9000111.6E232 Q233 K239 L240E232-H236 WeakPolarHBondContact O-CB 3.31Å; E232-H236 PolarHBondContact O-N 3.27Å; Q233-H236 PolarHBondContact O-N 3.18Å; H236-K239 PolarHBondContact O-N 2.8Å; H236-L240 PolarHBondContact O-N 2.67Å
237H89.2Confident78.9Confident109 Ų109112.4 Ų112.451%0.50558%0.575SS.*Hα-helixtrans-61.7-44.9175.1177.755000111.9Q233 K239 L240 L241Q233-H237 WeakPolarHBondContact O-CB 3.39Å; Q233-H237 PolarHBondContact O-N 3.38Å; H237-K239 VanDerWaalsContact C-N 3.3Å; H237-K239 PolarHBondContact O-N 2.67Å; H237-L240 PolarHBondContact O-N 2.89Å; H237-L241 WeakPolarHBondContact O-CG 3.34Å; H237-L241 PolarHBondContact O-N 3.33Å
238K93.8Very high78.9Confident158 Ų158114.6 Ų114.669%0.68758%0.58SS**Hα-helixtrans-59.2-40.1172.8-178.7176.7177.3178.70112.1Q234 Q235 A242Q234-K238 WeakPolarHBondContact O-CB 3.2Å; Q234-K238 PolarHBondContact O-N 2.87Å; Q235-K238 PolarHBondContact O-N 3.17Å; K238-A242 WeakPolarHBondContact O-CB 3.4Å; K238-A242 PolarHBondContact O-N 3.21Å
239K92.5Very high78.5Confident159 Ų159113 Ų11369%0.69159%0.585SS**Hα-helixtrans-66.7-39.5177.4-171.9-178.2178-173.60111.8Q235 H236 H237 A242 A243Q235-K239 WeakPolarHBondContact O-CB 3.29Å; Q235-K239 PolarHBondContact O-N 3.27Å; H236-K239 PolarHBondContact O-N 2.8Å; H237-K239 VanDerWaalsContact C-N 3.3Å; H237-K239 PolarHBondContact O-N 2.67Å; K239-A242 PolarHBondContact O-N 3.39Å; K239-A243 WeakPolarHBondContact O-CB 3.32Å; K239-A243 PolarHBondContact O-N 2.95Å
240L91.8Very high78Confident94 Ų94120.7 Ų120.749%0.49261%0.606SS.*Hα-helixtrans-63.9-47.8175.9-179.362.6000111.5H236 H237 A242 A243 M244H236-L240 PolarHBondContact O-N 2.67Å; H237-L240 PolarHBondContact O-N 2.89Å; L240-A242 VanDerWaalsContact C-N 3.34Å; L240-A242 PolarHBondContact O-N 3.45Å; L240-A243 PolarHBondContact O-N 3.03Å; L240-A243 VanDerWaalsContact O-N 3.15Å; L240-M244 PolarHBondContact O-N 2.96Å
241L89.4Confident77Confident81 Ų81121.3 Ų121.342%0.42461%0.61SS.*Hα-helixtrans-59.3-44175.2-69.6174.1000111.9H237 A243 M244 L245H237-L241 WeakPolarHBondContact O-CG 3.34Å; H237-L241 PolarHBondContact O-N 3.33Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.45Å; L241-M244 PolarHBondContact O-N 3.41Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.01Å
242A87.8Confident74.8Confident48 Ų48120.7 Ų120.740%0.39762%0.623SS.*Hα-helixtrans-63.6-3617600000112.5K238 K239 L240 S246K238-A242 WeakPolarHBondContact O-CB 3.4Å; K238-A242 PolarHBondContact O-N 3.21Å; K239-A242 PolarHBondContact O-N 3.39Å; L240-A242 VanDerWaalsContact C-N 3.34Å; L240-A242 PolarHBondContact O-N 3.45Å; A242-S246 WeakPolarHBondContact O-CB 3.39Å; A242-S246 PolarHBondContact O-N 2.92Å; A242-S246 PolarHBondContact O-OG 2.98Å
243A83.4Confident73.1Confident46 Ų46120 Ų12038%0.3863%0.627SS.*Hα-helixtrans-69.5-38.5177.500000112.6K239 L240 L241 S246K239-A243 WeakPolarHBondContact O-CB 3.32Å; K239-A243 PolarHBondContact O-N 2.95Å; L240-A243 PolarHBondContact O-N 3.03Å; L240-A243 VanDerWaalsContact O-N 3.15Å; L241-A243 VanDerWaalsContact C-N 3.31Å; L241-A243 PolarHBondContact O-N 3.45Å; A243-S246 PolarHBondContact O-N 3.06Å
244M79.1Confident71.1Confident112 Ų112120.6 Ų120.655%0.55264%0.635SS**Hα-helixtrans-61.1-53.8171.3-68.5173.96500110.5L240 L241 S246 Q247L240-M244 PolarHBondContact O-N 2.96Å; L241-M244 PolarHBondContact O-N 3.41Å; M244-S246 PolarHBondContact O-N 2.76Å; M244-Q247 WeakPolarHBondContact O-CB 3.31Å; M244-Q247 PolarHBondContact O-N 2.99Å
245L77.9Confident68.3Low128 Ų128119.2 Ų119.267%0.6764%0.641SS**Hα-helixtrans-63.7-12178.8-65.6169.4000114.3L241L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.01Å
246S68.7Low66.2Low83 Ų83119.1 Ų119.158%0.5865%0.65SS**THydrogen-bonded Turntrans-89.8-9.1173.9-57.70000113.2A242 A243 M244A242-S246 WeakPolarHBondContact O-CB 3.39Å; A242-S246 PolarHBondContact O-N 2.92Å; A242-S246 PolarHBondContact O-OG 2.98Å; A243-S246 PolarHBondContact O-N 3.06Å; M244-S246 PolarHBondContact O-N 2.76Å
247Q56.7Low63.7Low165 Ų165117.7 Ų117.777%0.77166%0.662SS**THydrogen-bonded Turntrans-85.1-24.4174.3-68177.71.200111.9M244 S249M244-Q247 WeakPolarHBondContact O-CB 3.31Å; M244-Q247 PolarHBondContact O-N 2.99Å; Q247-S249 VanDerWaalsContact C-N 3.29Å; Q247-S249 PolarHBondContact O-N 3.26Å
248D55.8Low60.9Low122 Ų122118.4 Ų118.465%0.65268%0.679SS**SBendtrans-87.27.4175.6-50.9-47.1000113.3F250D248-F250 PolarHBondContact O-N 2.68Å
249S46.9Very low58.2Low89 Ų89115.8 Ų115.862%0.62268%0.681SS**  trans-88.195-177.2-175.20000111.4Q247 D251Q247-S249 VanDerWaalsContact C-N 3.29Å; Q247-S249 PolarHBondContact O-N 3.26Å; S249-D251 PolarHBondContact O-N 2.83Å; S249-D251 VanDerWaalsContact O-N 3.1Å
250F50.9Low55.9Low206 Ų206114.4 Ų114.490%0.90469%0.685SS**  trans-58.5106.5174.7-76.3-104.8000112.6D248D248-F250 PolarHBondContact O-N 2.68Å
251D43.8Very low53.7Low146 Ų146115.5 Ų115.578%0.78170%0.696SS**  trans-156.385.8160.5-148.7-9.4000111.8S249S249-D251 PolarHBondContact O-N 2.83Å; S249-D251 VanDerWaalsContact O-N 3.1Å
252S35.1Very low51.6Low125 Ų125121 Ų12187%0.87472%0.72SS**  trans-157.567.8175-161.40000111.9
253V44.2Very low49.8Very low120 Ų120127 Ų12773%0.72774%0.739SS**  trans-84.3139179.8-79.10000113.6
254N40.4Very low48.3Very low147 Ų147132.9 Ų132.979%0.78676%0.759SS**  trans65.8109.4165.2-56.5-10.2000116.7
255S30.2Very low47.1Very low111 Ų111134.6 Ų134.678%0.77677%0.769SS**  175.5168.275.6-61.90000110.5
256P44.1Very low46.3Very low117 Ų117137.1 Ų137.176%0.7678%0.777SS**  cis-130.5160.3-47.637.9-23.9000112.7
257A35.2Very low46.2Very low106 Ų106139.2 Ų139.288%0.87678%0.782SS**  trans49.793.8158.300000118.9
258S30.5Very low46.3Very low123 Ų123140.5 Ų140.586%0.8679%0.788SS**  trans-130.1126.2142.3-173.90000108.6
259S38.3Very low46.6Very low104 Ų104142.2 Ų142.273%0.72780%0.797SS**  trans-78.7143.1171.554.40000111.1
260V43.2Very low47.5Very low129 Ų129146 Ų14678%0.78281%0.81SS**  trans170.2127.1133.5147.60000107.8
261V45.5Very low48Very low117 Ų117140.3 Ų140.371%0.70980%0.801SS**  trans41106.1163.4179.90000116.3E263V261-E263 HydrophobicContact CG1-CB 4.25Å; V261-E263 PolarHBondContact O-N 2.9Å
262E46.6Very low48.7Very low198 Ų198141.8 Ų141.893%0.92581%0.806SS**  trans-70.6120.3145.1-65.8-170.615400106.7
263E49.8Very low50.1Low172 Ų172145 Ų14580%0.80481%0.807SS**  trans-87.3110.1173.7-168.7161.4-140.500107.2V261 I265V261-E263 HydrophobicContact CG1-CB 4.25Å; V261-E263 PolarHBondContact O-N 2.9Å; E263-I265 PolarHBondContact O-N 3.43Å
264E50.5Low50.8Low171 Ų171147.6 Ų147.680%0.79982%0.816SS**  trans-6799.6-176.6-171.2162.9-149.100109.1E266E264-E266 PolarHBondContact O-N 3.28Å
265I55.8Low52.2Low148 Ų148148.8 Ų148.876%0.75982%0.821SS**  trans-73.383.617243171.8000109.4E263 D267E263-I265 PolarHBondContact O-N 3.43Å; I265-D267 VanDerWaalsContact C-N 3.33Å; I265-D267 PolarHBondContact O-N 2.83Å
266E60.3Low54.2Low180 Ų180150.6 Ų150.684%0.84182%0.817SS**  trans-82.671174-169.3176.1-131.900109.4E264E264-E266 PolarHBondContact O-N 3.28Å
267D65.4Low55.9Low127 Ų127150.2 Ų150.268%0.67981%0.809SS**  trans-110.317.6178.870.8-32.2000114.3I265 D269I265-D267 VanDerWaalsContact C-N 3.33Å; I265-D267 PolarHBondContact O-N 2.83Å; D267-D269 PolarHBondContact O-N 3.39Å
268E60.3Low58.1Low193 Ų193150.9 Ų150.990%0.90280%0.797SS**THydrogen-bonded Turntrans-92.514.7-171.8-154.8151.7-13800114.9
269D62.3Low60.6Low157 Ų157149.2 Ų149.284%0.8478%0.778SS**THydrogen-bonded Turntrans-118.5-5.4-178-127.40.4000114.6D267 A271D267-D269 PolarHBondContact O-N 3.39Å; D269-A271 PolarHBondContact O-N 3.23Å
270D65.1Low62.9Low168 Ų168148.3 Ų148.390%0.89877%0.766SS**  trans-71.218.3-178.2-104.27.2000114.3
271A62.2Low64.8Low87 Ų87143.7 Ų143.772%0.71974%0.736SS**  trans-106.726.6-163.800000115.8D269D269-A271 PolarHBondContact O-N 3.23Å
272M58.8Low66.7Low178 Ų178144.8 Ų144.888%0.87773%0.728SS**  trans-150.885.3172.9-86.1-165-64.300115.2
273E63.1Low68.3Low192 Ų192142.4 Ų142.490%0.89772%0.719SS**  trans-155.283.4151.7-125.9169.4-139.300112
274L58.6Low70.1Confident175 Ų175141.8 Ų141.892%0.91672%0.715SS**  trans-141.346.7176.4-73.9178.9000111.7
275L71.2Confident71.5Confident172 Ų172135.9 Ų135.990%0.90170%0.701SS**  trans-118.5105.7165.6-68177.5000107.8
276E70.8Confident72.6Confident149 Ų149132 Ų13270%0.69668%0.684SS**  trans-58.8135.3177.3-66.8160.1169.300110.3L281E276-L281 HydrophobicContact CB-CD1 4.27Å; E276-L281 HydrophobicContact CB-CD2 4.35Å; E276-L281 HydrophobicContact CB-CG 4.14Å
277D81.5Confident73.4Confident109 Ų109129.6 Ų129.658%0.58368%0.682SS**  trans-65.6141.1-172.9-118.2-29.1000111.2D279 D280 L281D277-D279 PolarHBondContact O-N 3.49Å; D277-D280 HydrophobicContact CB-CB 4.35Å; D277-D280 PolarHBondContact O-N 3.08Å; D277-L281 PolarHBondContact O-N 3.19Å
278L80.6Confident73.6Confident120 Ų120127.3 Ų127.363%0.62869%0.688SS**Hα-helixtrans-62.8-17.7177.1-67177.2000112.5R282 L289L278-R282 VanDerWaalsContact O-CB 3.29Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 PolarHBondContact O-N 3.36Å; L278-L289 HydrophobicContact CD2-CD1 3.97Å
279D82.8Confident73.9Confident87 Ų87122.8 Ų122.847%0.46567%0.669SS.*Hα-helixtrans-81.2-38.8174-85.736.6000111.9D277 R282 M283D277-D279 PolarHBondContact O-N 3.49Å; D279-R282 WeakPolarHBondContact O-CB 3.31Å; D279-R282 PolarHBondContact O-N 3.44Å; D279-R282 IonicContact OD1-CZ 2.62Å; D279-R282 IonicContact OD1-NH1 2.69Å; D279-R282 PolarHBondContact OD1-NH1 3.27Å; D279-R282 IonicContact OD1-NH2 3.48Å; D279-R282 PolarHBondContact OD1-NH2 2.61Å; D279-R282 IonicContact OD2-CZ 2.68Å; D279-R282 IonicContact OD2-NH1 3.84Å; D279-R282 PolarHBondContact OD2-NH1 3.36Å; D279-R282 IonicContact OD2-NH2 3.45Å; D279-R282 PolarHBondContact OD2-NH2 3.28Å; D279-M283 WeakPolarHBondContact O-CG 3.24Å; D279-M283 PolarHBondContact O-N 3.28Å
280D87.4Confident73.9Confident86 Ų86119.2 Ų119.246%0.4666%0.662SS.*Hα-helixtrans-70.9-47.7175.5-75-24.4000111.4D277 R282 M283 E284D277-D280 HydrophobicContact CB-CB 4.35Å; D277-D280 PolarHBondContact O-N 3.08Å; D280-R282 PolarHBondContact O-N 3.01Å; D280-R282 VanDerWaalsContact O-N 3.13Å; D280-M283 CarbonylContact O-C 3.51Å; D280-M283 WeakPolarHBondContact O-CA 3.47Å; D280-M283 WeakPolarHBondContact O-CB 3.42Å; D280-M283 PolarHBondContact O-N 2.93Å; D280-E284 PolarHBondContact O-N 2.91Å
281L81.7Confident73.7Confident32 Ų32117.5 Ų117.517%0.16866%0.66CS.*Hα-helixtrans-55.3-33172.5-70.8170000111.9E276 D277 G285 V286 L289E276-L281 HydrophobicContact CB-CD1 4.27Å; E276-L281 HydrophobicContact CB-CD2 4.35Å; E276-L281 HydrophobicContact CB-CG 4.14Å; D277-L281 PolarHBondContact O-N 3.19Å; L281-G285 PolarHBondContact O-N 3.44Å; L281-V286 HydrophobicContact CB-CB 4.37Å; L281-V286 HydrophobicContact CB-CG2 4.5Å; L281-V286 HydrophobicContact CD2-CG2 4.34Å; L281-V286 VanDerWaalsContact O-CB 3.22Å; L281-V286 WeakPolarHBondContact O-CB 3.5Å; L281-V286 WeakPolarHBondContact O-CG2 3.49Å; L281-V286 PolarHBondContact O-N 3.43Å; L281-L289 HydrophobicContact CD1-CD1 4.22Å
282R85Confident73.5Confident139 Ų139119.1 Ų119.153%0.52567%0.666SS.*Hα-helixtrans-72.2-36173.4-177.2-176.968.2-122.91.9112.3L278 D279 D280 E284 G285L278-R282 VanDerWaalsContact O-CB 3.29Å; L278-R282 WeakPolarHBondContact O-CB 3.48Å; L278-R282 PolarHBondContact O-N 3.36Å; D279-R282 WeakPolarHBondContact O-CB 3.31Å; D279-R282 PolarHBondContact O-N 3.44Å; D279-R282 IonicContact OD1-CZ 2.62Å; D279-R282 IonicContact OD1-NH1 2.69Å; D279-R282 PolarHBondContact OD1-NH1 3.27Å; D279-R282 IonicContact OD1-NH2 3.48Å; D279-R282 PolarHBondContact OD1-NH2 2.61Å; D279-R282 IonicContact OD2-CZ 2.68Å; D279-R282 IonicContact OD2-NH1 3.84Å; D279-R282 PolarHBondContact OD2-NH1 3.36Å; D279-R282 IonicContact OD2-NH2 3.45Å; D279-R282 PolarHBondContact OD2-NH2 3.28Å; D280-R282 PolarHBondContact O-N 3.01Å; D280-R282 VanDerWaalsContact O-N 3.13Å; R282-E284 VanDerWaalsContact C-N 3.34Å; R282-G285 PolarHBondContact O-N 2.96Å; R282-G285 VanDerWaalsContact O-N 3.14Å
283M81.1Confident73Confident149 Ų149113.5 Ų113.573%0.73465%0.653SS**Hα-helixtrans-69.5-30.6173.1-67.3-152.3-64.100112.7D279 D280 G285D279-M283 WeakPolarHBondContact O-CG 3.24Å; D279-M283 PolarHBondContact O-N 3.28Å; D280-M283 CarbonylContact O-C 3.51Å; D280-M283 WeakPolarHBondContact O-CA 3.47Å; D280-M283 WeakPolarHBondContact O-CB 3.42Å; D280-M283 PolarHBondContact O-N 2.93Å; M283-G285 PolarHBondContact O-N 3.46Å
284E86.8Confident72.3Confident158 Ų158111.8 Ų111.874%0.73865%0.651SS**THydrogen-bonded Turntrans-72.6-6.3169-63-162.3155.500113.7D280 R282D280-E284 PolarHBondContact O-N 2.91Å; R282-E284 VanDerWaalsContact C-N 3.34Å
285G80.2Confident72Confident48 Ų48112.8 Ų112.850%0.49565%0.648SS.*THydrogen-bonded Turntrans88.314.5176.100000115.1L281 R282 M283 T287L281-G285 PolarHBondContact O-N 3.44Å; R282-G285 PolarHBondContact O-N 2.96Å; R282-G285 VanDerWaalsContact O-N 3.14Å; M283-G285 PolarHBondContact O-N 3.46Å; G285-T287 VanDerWaalsContact C-N 3.3Å; G285-T287 PolarHBondContact O-N 2.88Å
286V78.9Confident70.7Confident65 Ų65113.8 Ų113.839%0.39465%0.645SS.*  trans-72.182.4177.2-171.90000110.5L281 L289L281-V286 HydrophobicContact CB-CB 4.37Å; L281-V286 HydrophobicContact CB-CG2 4.5Å; L281-V286 HydrophobicContact CD2-CG2 4.34Å; L281-V286 VanDerWaalsContact O-CB 3.22Å; L281-V286 WeakPolarHBondContact O-CB 3.5Å; L281-V286 WeakPolarHBondContact O-CG2 3.49Å; L281-V286 PolarHBondContact O-N 3.43Å; V286-L289 HydrophobicContact CG1-CD1 4.26Å; V286-L289 HydrophobicContact CG1-CD2 4.09Å; V286-L289 HydrophobicContact CG1-CG 4.05Å
287T77.8Confident69.5Low131 Ų131112.1 Ų112.180%0.80465%0.65SS**  trans-87.5135.9175.960.70000111.7G285G285-T287 VanDerWaalsContact C-N 3.3Å; G285-T287 PolarHBondContact O-N 2.88Å
288G69.3Low67.9Low79 Ų79115.6 Ų115.681%0.81466%0.662SS**  trans108.58.2172.200000116.6A290G288-A290 PolarHBondContact O-N 3.34Å
289L66.9Low66.3Low97 Ų97113 Ų11351%0.50866%0.664SS.*  trans-59.8119.4170.3-62.2178.8000110.5L278 L281 V286L278-L289 HydrophobicContact CD2-CD1 3.97Å; L281-L289 HydrophobicContact CD1-CD1 4.22Å; V286-L289 HydrophobicContact CG1-CD1 4.26Å; V286-L289 HydrophobicContact CG1-CD2 4.09Å; V286-L289 HydrophobicContact CG1-CG 4.05Å
290A63.2Low64.3Low82 Ų82120.6 Ų120.668%0.67869%0.687SS**  trans-70.7136.5171.200000109.6G288 S292G288-A290 PolarHBondContact O-N 3.34Å; A290-S292 VanDerWaalsContact C-N 3.32Å; A290-S292 PolarHBondContact O-N 2.84Å
291P59.4Low62.4Low133 Ų133121.9 Ų121.986%0.86470%0.703SS**  trans-65.682.3179.7-25.336.3000113.8G293P291-G293 PolarHBondContact O-N 2.72Å
292S57.7Low60.3Low121 Ų121125.2 Ų125.285%0.84673%0.729SS**  trans-77.446.9-178.5-172.70000113.1A290 N294A290-S292 VanDerWaalsContact C-N 3.32Å; A290-S292 PolarHBondContact O-N 2.84Å; S292-N294 PolarHBondContact O-N 3.22Å
293G49.7Very low58.3Low59 Ų59129.8 Ų129.861%0.60875%0.748SS**  trans-88.384-177.800000113.1P291 K295P291-G293 PolarHBondContact O-N 2.72Å; G293-K295 PolarHBondContact O-N 2.79Å; G293-K295 VanDerWaalsContact O-N 3.1Å
294N47.2Very low56.1Low157 Ų157130.5 Ų130.584%0.8475%0.749SS**  trans-74.297.3168.1-166.147.9000109.4S292 F296S292-N294 PolarHBondContact O-N 3.22Å; N294-F296 PolarHBondContact O-N 3.04Å
295K53.6Low54.1Low196 Ų196127.9 Ų127.985%0.85275%0.746SS**  trans-69.498.7-167.6-63.9-171.6178.8-173.20112.7G293 S297G293-K295 PolarHBondContact O-N 2.79Å; G293-K295 VanDerWaalsContact O-N 3.1Å; K295-S297 PolarHBondContact O-N 3.17Å
296F43.2Very low52.4Low192 Ų192132.9 Ų132.984%0.84276%0.756SS**  trans-74108.3170.4-156.7-96.8000110.1N294 Q298N294-F296 PolarHBondContact O-N 3.04Å; F296-Q298 PolarHBondContact O-N 2.95Å; F296-Q298 VanDerWaalsContact O-N 3.16Å
297S45.8Very low50.9Low114 Ų114135.7 Ų135.780%0.79778%0.776SS**  trans-83.189.4-177.1580000111.4K295 G299K295-S297 PolarHBondContact O-N 3.17Å; S297-G299 PolarHBondContact O-N 3.3Å
298Q48.3Very low49.6Very low182 Ų182137.2 Ų137.285%0.8577%0.774SS**  trans-71.2126.7177.4-165.7166.52.300111.3F296F296-Q298 PolarHBondContact O-N 2.95Å; F296-Q298 VanDerWaalsContact O-N 3.16Å
299G47.2Very low49.1Very low65 Ų65137.7 Ų137.767%0.6777%0.77SS**SBendtrans92.968.5162.700000118S297S297-G299 PolarHBondContact O-N 3.3Å
300R39.5Very low48.6Very low247 Ų247141.9 Ų141.993%0.93278%0.784SS**  -165.9137.8129-104.8152.5-162.7-88-2.8112.4
301S47.7Very low48.7Very low114 Ų114143.5 Ų143.580%0.79779%0.785SS**  trans-75.6126.4176.61800000111.3
302S37.5Very low49.1Very low102 Ų102142.8 Ų142.871%0.71378%0.779SS**  trans-147.7123.9156.459.70000107.6Q304S302-Q304 PolarHBondContact O-N 3.46Å
303Y43.3Very low49.8Very low235 Ų235143.4 Ų143.492%0.92277%0.772SS**  trans-57.2109.8-178.8-83.8-101.4000111.2
304Q35Very low50.6Low163 Ų163148.2 Ų148.276%0.76278%0.783SS**PPolyproline II helixtrans-84.3135.4161.1-105.5-76.8-43.800108S302 E306S302-Q304 PolarHBondContact O-N 3.46Å; Q304-E306 PolarHBondContact O-N 2.87Å
305P44.8Very low52Low104 Ų104145.9 Ų145.968%0.67577%0.77SS**PPolyproline II helixtrans-64.2131.2174.327-33.6000110.2
306E45.2Very low53Low153 Ų153139.9 Ų139.972%0.71575%0.752SS**PPolyproline II helixtrans-47.5132.4177-174.6-171.6153.600111.8Q304 Q308Q304-E306 PolarHBondContact O-N 2.87Å; E306-Q308 VanDerWaalsContact C-N 3.28Å; E306-Q308 PolarHBondContact O-N 2.99Å
307P46.6Very low54.3Low124 Ų124135.7 Ų135.781%0.80575%0.746SS**  trans-72.684.217930.3-34.7000110.1A309P307-A309 PolarHBondContact O-N 3.05Å
308Q49.7Very low55.2Low163 Ų163140.6 Ų140.676%0.76275%0.747SS**  trans-61.592.2-178.2-68.9-174.1-2.500111.6E306 K310E306-Q308 VanDerWaalsContact C-N 3.28Å; E306-Q308 PolarHBondContact O-N 2.99Å; Q308-K310 VanDerWaalsContact C-N 3.33Å; Q308-K310 PolarHBondContact O-N 3.21Å
309A59.4Low56.1Low89 Ų89135.4 Ų135.474%0.73673%0.731SS**  trans-65.390.9172.800000109.4P307 V311P307-A309 PolarHBondContact O-N 3.05Å; A309-V311 VanDerWaalsContact C-N 3.31Å; A309-V311 PolarHBondContact O-N 3.48Å
310K57.7Low57Low185 Ų185135.7 Ų135.780%0.80473%0.726SS**  trans-73.680.1-174.1-169.5173.9-177.8172.30111.6Q308 T312Q308-K310 VanDerWaalsContact C-N 3.33Å; Q308-K310 PolarHBondContact O-N 3.21Å; K310-T312 HydrophobicContact CG-CG2 4.42Å; K310-T312 PolarHBondContact O-N 3.31Å
311V63.3Low58Low115 Ų115134 Ų13470%0.69772%0.72SS**  trans-64.599.4175.4-176.70000109.9A309 L313A309-V311 VanDerWaalsContact C-N 3.31Å; A309-V311 PolarHBondContact O-N 3.48Å; V311-L313 HydrophobicContact CG1-CD2 3.73Å; V311-L313 HydrophobicContact CG1-CG 4.11Å; V311-L313 PolarHBondContact O-N 2.91Å
312T68.9Low58.5Low119 Ų119136.1 Ų136.173%0.7372%0.722SS**  trans-83.589.3176.751.30000110.9K310 N314K310-T312 HydrophobicContact CG-CG2 4.42Å; K310-T312 PolarHBondContact O-N 3.31Å; T312-N314 PolarHBondContact O-N 3.34Å
313L71.8Confident59.3Low134 Ų134140.4 Ų140.470%0.70273%0.73SS**  trans-69.4117.4175.1-61.5179000111.1V311 I315V311-L313 HydrophobicContact CG1-CD2 3.73Å; V311-L313 HydrophobicContact CG1-CG 4.11Å; V311-L313 PolarHBondContact O-N 2.91Å; L313-I315 VanDerWaalsContact C-N 3.26Å; L313-I315 HydrophobicContact CB-CG1 4.21Å; L313-I315 PolarHBondContact O-N 2.8Å
314N66.6Low59.5Low159 Ų159132.1 Ų132.185%0.8572%0.717SS**  trans-83.762.2-179.956.6-8.4000112T312 C316T312-N314 PolarHBondContact O-N 3.34Å; N314-C316 PolarHBondContact O-N 2.64Å
315I77.2Confident60.1Low109 Ų109131.9 Ų131.956%0.55972%0.72SS**  trans-58.8122.7-177.3-55.6177.5000110.8L313 C319 A320L313-I315 VanDerWaalsContact C-N 3.26Å; L313-I315 HydrophobicContact CB-CG1 4.21Å; L313-I315 PolarHBondContact O-N 2.8Å; I315-C319 HydrophobicContact CG2-CB 3.82Å; I315-A320 HydrophobicContact CG2-CB 3.96Å
316C74.1Confident60.2Low69 Ų69133 Ų13347%0.46673%0.726SS.*  trans-56.6140.2174.2174.30000111.3N314 R318 C319 A320N314-C316 PolarHBondContact O-N 2.64Å; C316-R318 PolarHBondContact O-N 3.48Å; C316-C319 HydrophobicContact CB-CB 4.41Å; C316-C319 WeakPolarHBondContact O-CA 3.37Å; C316-C319 WeakPolarHBondContact O-CB 3.39Å; C316-C319 PolarHBondContact O-N 3.48Å; C316-A320 PolarHBondContact O-N 3.32Å
317S71.4Confident59.8Low104 Ų104133.8 Ų133.873%0.72773%0.734SS**THydrogen-bonded Turntrans-60.7-15.5-178.558.40000114.9
318R63.6Low59.2Low217 Ų217133.8 Ų133.882%0.81974%0.737SS**THydrogen-bonded Turntrans-82.1-28.8169.6-70.4-176.9166.7-165.9-5.1113.6C316C316-R318 PolarHBondContact O-N 3.48Å
319C67.9Low58.4Low74 Ų74133.3 Ų133.350%0.574%0.74SS.*THydrogen-bonded Turntrans-85.9-34-176.6-600000112.1I315 C316 R321 L322I315-C319 HydrophobicContact CG2-CB 3.82Å; C316-C319 HydrophobicContact CB-CB 4.41Å; C316-C319 WeakPolarHBondContact O-CA 3.37Å; C316-C319 WeakPolarHBondContact O-CB 3.39Å; C316-C319 PolarHBondContact O-N 3.48Å; C319-R321 PolarHBondContact O-N 2.92Å; C319-L322 PolarHBondContact O-N 3.03Å
320A66.6Low57Low70 Ų70134.4 Ų134.458%0.57974%0.742SS**THydrogen-bonded Turntrans-63.2-0.2179.600000115.4I315 C316I315-A320 HydrophobicContact CG2-CB 3.96Å; C316-A320 PolarHBondContact O-N 3.32Å
321R59.3Low55.7Low213 Ų213136.6 Ų136.680%0.80475%0.745SS**THydrogen-bonded Turntrans-105.80.4179.3-73.6-173.5167.5-158.3-5.3114.6C319C319-R321 PolarHBondContact O-N 2.92Å
322L58.4Low54.2Low158 Ų158135.5 Ų135.583%0.82774%0.742SS**SBendtrans-101.311.3-175.7-70.8170000114.1C319C319-L322 PolarHBondContact O-N 3.03Å
323Q53.9Low52.4Low191 Ų191137.8 Ų137.889%0.89375%0.745SS**SBendtrans-140.440.1-172.4-153.917220.600112.5
324G48.1Very low50.6Low62 Ų62140.2 Ų140.264%0.63975%0.752SS**  trans-122-22.2179.600000116.2
325D47Very low48.9Very low157 Ų157138.7 Ų138.784%0.8474%0.744SS**SBendtrans-110.762.4-162.6-63.6-41.7000114
326T46.8Very low46.7Very low128 Ų128141.3 Ų141.379%0.78575%0.754SS**SBendtrans-164.2154.1151.5-67.40000108.5
327L36.9Very low44.6Very low169 Ų169149.5 Ų149.589%0.88578%0.775SS**  trans7859.1-177.8-51.6-175.6000116.8
328S35Very low43Very low124 Ų124150.3 Ų150.387%0.86778%0.778SS**  trans-120.485.5158.6640000111.6
329N32.3Very low41.2Very low154 Ų154148.7 Ų148.782%0.82478%0.779SS**  trans-162.692154.5-169.627.6000113.6
330S30.7Very low39.2Very low112 Ų112151.8 Ų151.878%0.78379%0.789SS**  trans-175.2145131.240.80000112.5
331R30.6Very low37.5Very low231 Ų231152.4 Ų152.487%0.87279%0.789SS**  trans71.498.7155.9-163.6162.3-164.3-148.20.7118.8
332S30.5Very low36Very low91 Ų91149.7 Ų149.764%0.63679%0.786SS**  trans40.8147.4137.564.60000120.8
333E32.6Very low34.6Very low167 Ų167150 Ų15078%0.7878%0.783SS**  cis163.4159-1.2-168.6161.7156.900103.4
334E32.5Very low33.3Very low185 Ų185145 Ų14586%0.86477%0.774SS**  trans62156.5-179.3-60.5171.399.100117.1
335D30.4Very low32.4Very low127 Ų127148.4 Ų148.468%0.67978%0.782SS**  -153.7171.4-50.6-150.6-17.6000110.9
336H32.6Very low33Very low164 Ų164146.3 Ų146.376%0.75978%0.777SS**  trans66.194.8154-71.214.8000121.1
337R29.3Very low32Very low241 Ų241146.6 Ų146.691%0.90977%0.774SS**  trans7.3140.2136.8-158.4172.4-1691464.2120.8
338P38Very low31.6Very low121 Ų121145.3 Ų145.379%0.78677%0.767SS**  trans-90.7170.5-173.837.8-39.4000116.6
339H26.1Very low31.1Very low184 Ų184145.1 Ų145.185%0.85277%0.765SS**  trans-129.4170.3165.4-155.5-88.5000112.9
340I25.7Very low30.9Very low138 Ų138143 Ų14371%0.70876%0.762SS**  trans-126.3159-161.4-65159.5000112.2
341S29.8Very low31.6Very low83 Ų83143.4 Ų143.458%0.5876%0.763SS**  trans79.3133.9157.2-880000122.6
342E28.8Very low31.9Very low156 Ų156139 Ų13973%0.72976%0.761SS**  54.1152.9129-58.4168.383.300120.1
343Q29.2Very low32.4Very low165 Ų165140.7 Ų140.777%0.77177%0.77SS**  cis-166.3174.327.3-151.1173.260.700112.8
344A25.8Very low32.1Very low86 Ų86136.3 Ų136.371%0.71177%0.769SS**  trans77.8166.3148.500000121.3
345V30.1Very low32.1Very low133 Ų133133.8 Ų133.881%0.80677%0.766SS**  trans-151.1-171.3-165.1-155.20000108.6
346P58.4Low32.1Very low113 Ų113134.1 Ų134.173%0.73477%0.768SS**  -82.3-156.2-103.240.2-23.2000114.7
347D26.3Very low32Very low135 Ų135132.1 Ų132.172%0.72277%0.768SS**  172.5170.876.3-160.36.9000114.3
348I28Very low32.2Very low142 Ų142127.3 Ų127.373%0.72877%0.765SS**  trans65.7126.6157.532171.3000127.3
349S26Very low31.8Very low119 Ų119125.3 Ų125.383%0.83276%0.758SS**  99.1152.6127.4-77.70000125.3
350S28.5Very low31.8Very low110 Ų110121.9 Ų121.977%0.76976%0.755SS**  trans-120.1-175.1179.275.30000110.4
351P43.9Very low32.2Very low121 Ų121125.3 Ų125.379%0.78676%0.759SS**  cis-148.9-163.639.841.6-16.9000118
352V36.4Very low32.4Very low137 Ų137127.1 Ų127.183%0.8376%0.761SS**  trans-80.6-178.6175.2-99.40000113.8
353P42.1Very low32.5Very low128 Ų128126.1 Ų126.183%0.83176%0.757SS**  cis-153.6-177.727.345.8-23.8000121.8
354G26.4Very low32.7Very low74 Ų74125.4 Ų125.476%0.76375%0.754SS**  trans93161.114900000120.1
355V32.7Very low33.2Very low133 Ų133126.3 Ų126.381%0.80675%0.753SS**  cis-163.8147.9-10.6129.10000111.6
356D29.5Very low33.1Very low133 Ų133128.3 Ų128.371%0.71175%0.754SS**  trans13.5151.7160-46.9-31.3000124.1
357T31.4Very low32Very low123 Ų123126.5 Ų126.576%0.75575%0.748SS**  -179.2146.565.623.40000116.2
358V32.1Very low32.1Very low140 Ų140127.7 Ų127.785%0.84875%0.754SS**  trans68.7144.9137.7171.90000119.6
359A30.3Very low32.3Very low79 Ų79125.8 Ų125.865%0.65375%0.753SS**  cis-152.5162.615.200000116.1
360S27.4Very low32.7Very low111 Ų111128 Ų12878%0.77675%0.751SS**  trans56.1144.7140.5-81.80000122.9
361R32.3Very low32.5Very low210 Ų210128.6 Ų128.679%0.79275%0.749SS**  cis-168.3147-7.1-136.3-172.2178.3-141.41.2111.3
362L34.5Very low31.7Very low121 Ų121129.2 Ų129.263%0.63475%0.751SS**  trans64.7150.3156.4-74.6167.9000118.3
363Q31.3Very low31.3Very low135 Ų135126.2 Ų126.263%0.63175%0.748SS**  cis-148.8138.24.5-164.6148.8-20.700112.4
364E33.2Very low30.6Very low151 Ų151125 Ų12571%0.70674%0.742SS**  trans35.4151.1147.9-64.2161.8171.400122
365C36.3Very low30.6Very low104 Ų104131.7 Ų131.770%0.70375%0.745SS**  cis-171.9171.5-18.2-104.90000106.4
366E29.1Very low30.3Very low176 Ų176132.5 Ų132.582%0.82274%0.739SS**  cis-156.5171.69.8-140.7167.2130.200111.2
367A34.2Very low30.8Very low75 Ų75130 Ų13062%0.6274%0.738SS**  trans40.6116.515900000120.2
368L29.4Very low30.5Very low160 Ų160130.2 Ų130.284%0.83874%0.739SS**  64.714266-59.3169000113.7
369S32.4Very low30.3Very low102 Ų102135.5 Ų135.571%0.71374%0.743SS**  cis-150.8179.918.2-154.20000115.1
370Q32.6Very low30.2Very low166 Ų166140.5 Ų140.578%0.77675%0.753SS**  trans-54.2168.6171.4-53.5165.19.600112
371V25.2Very low30.6Very low121 Ų121140 Ų14073%0.73376%0.755SS**  -171.8159.251.181.50000114.1
372T27.6Very low30.6Very low134 Ų134136 Ų13682%0.82275%0.75SS**  trans3.5132.3156.7-50.30000120.9
373G27Very low30.5Very low75 Ų75137.9 Ų137.977%0.77376%0.76SS**  trans-1749016600000119.8
374S26.8Very low30.8Very low102 Ų102140.3 Ų140.371%0.71377%0.768SS**  trans-11.2127.5153.5169.80000121.6
375R28Very low30.5Very low215 Ų215138.6 Ų138.681%0.81177%0.773SS**  trans60.7128.9138.1-65.2178.8174.3-91.8-1.9122.4
376Q26.1Very low30.1Very low149 Ų149138 Ų13870%0.69678%0.775SS**  trans78.6133.5134.1-171162.50.600118.9
377A39Very low30.2Very low82 Ų82141.5 Ų141.568%0.67878%0.781SS**  trans-79.2147.2175.100000112.4
378V25.1Very low29.9Very low127 Ų127141.9 Ų141.977%0.7779%0.792SS**  trans-132.9111.9157.8176.60000106.9E380V378-E380 HydrophobicContact CG1-CB 4.17Å
379W28.9Very low29.9Very low250 Ų250137.7 Ų137.795%0.94779%0.787SS**  trans-87.2122.3154.1-76.196.3000106.7
380E27.2Very low29.8Very low185 Ų185137.9 Ų137.986%0.86479%0.789SS**  trans-144.4130.8161.4-157.3166.6-132.800107.1V378V378-E380 HydrophobicContact CG1-CB 4.17Å
381A35.7Very low29.9Very low99 Ų99134.9 Ų134.982%0.81879%0.786SS**  trans-123.4118.3-167.300000111.7
382D33.5Very low30.4Very low126 Ų126135.9 Ų135.967%0.67479%0.792SS**  trans-155.2153.4136.1-166.311.8000108.7
383L32.1Very low30.6Very low162 Ų162132.6 Ų132.685%0.84879%0.785SS**  170.5122.4126.7-92173.7000110.9
384K37.2Very low31.2Very low186 Ų186138.1 Ų138.181%0.80979%0.791SS**  trans-79116.9171.7-61.7157.7-175.5157.70110.9
385S27.7Very low32Very low115 Ų115139.2 Ų139.280%0.80479%0.793SS**  trans-164121.7152.8-110.90000108.4
386A27.9Very low32.3Very low90 Ų90132.5 Ų132.574%0.74479%0.791SS**  88.7105.950.400000114.5
387R31.6Very low33.2Very low250 Ų250132.8 Ų132.894%0.94380%0.797SS**  trans73.8108.3149.1-170.2-177.2-66.4-98.8-1.1119.4
388G27.3Very low33.8Very low83 Ų83134.9 Ų134.986%0.85680%0.796SS**  trans100.7147.8162.400000114
389G29.8Very low35Very low72 Ų72136.1 Ų136.174%0.74280%0.797SS**  cis146.1134.8-500000111.8
390S30.1Very low36.1Very low107 Ų107126.5 Ų126.575%0.74878%0.776SS**  trans70.7129.4-164.4-168.20000112.3
391S34.7Very low37.4Very low102 Ų102122.5 Ų122.571%0.71376%0.76SS**  cis73.9139.447.1105.80000113.4
392V35.4Very low38.4Very low142 Ų142121.3 Ų121.386%0.86175%0.746SS**  cis-155.91629.983.10000112.7
393G31.6Very low39.6Very low65 Ų65121.6 Ų121.667%0.6775%0.747SS**  trans99.7151.6162.800000116
394Q39.7Very low41Very low192 Ų192120.7 Ų120.790%0.89774%0.736SS**  cis-134.4152.7-0.5-77.2-170.6-12.100113.7
395T42.6Very low42.8Very low124 Ų124115.2 Ų115.276%0.76172%0.721SS**  trans-30.8131.6170.845.50000117.5
396G36.2Very low45.2Very low75 Ų75116.9 Ų116.977%0.77371%0.714SS**SBendtrans-166.7-31.1167.300000116.1
397L44Very low47.8Very low154 Ų154118.3 Ų118.381%0.80671%0.705SS**  trans-117.810.7-168.9-68.6168.2000115.3L399L397-L399 VanDerWaalsContact C-N 3.26Å; L397-L399 PolarHBondContact O-N 3.42Å
398L50.9Low50.3Low127 Ų127111.4 Ų111.467%0.66569%0.687SS**THydrogen-bonded Turntrans-75.311.8-157.3-118.7175.2000117.6
399L50.4Low52.9Low153 Ų153112.6 Ų112.680%0.80167%0.67SS**THydrogen-bonded Turntrans-101.4-28.9-177.9-145.873.7000114.1L397L397-L399 VanDerWaalsContact C-N 3.26Å; L397-L399 PolarHBondContact O-N 3.42Å
400G53.2Low55.7Low48 Ų48113.1 Ų113.150%0.49566%0.656SS.*THydrogen-bonded Turntrans-74.7-52.1176.700000112.3S402 L403 F404G400-S402 PolarHBondContact O-N 2.71Å; G400-S402 VanDerWaalsContact O-N 3.07Å; G400-L403 PolarHBondContact O-N 3.21Å; G400-F404 PolarHBondContact O-N 3.39Å
401D54.3Low58.3Low100 Ų100112.8 Ų112.854%0.53564%0.644SS.*Hα-helixtrans-56.3-30.9-175.3-57.8-15.9000113.2S405D401-S405 WeakPolarHBondContact O-CB 3.38Å; D401-S405 PolarHBondContact O-N 3.42Å; D401-S405 PolarHBondContact O-OG 3.43Å
402S56.3Low60.9Low75 Ų75109.9 Ų109.952%0.52463%0.629SS.*Hα-helixtrans-71-28-179.1-173.40000113.6G400 K406G400-S402 PolarHBondContact O-N 2.71Å; G400-S402 VanDerWaalsContact O-N 3.07Å; S402-K406 WeakPolarHBondContact O-CB 3.38Å
403L59.6Low63.4Low132 Ų132108.5 Ų108.569%0.69161%0.612SS**Hα-helixtrans-78.7-50.5176.2-66.2176.2000109.7G400 S405 K406 E407G400-L403 PolarHBondContact O-N 3.21Å; L403-S405 PolarHBondContact O-N 3.06Å; L403-K406 PolarHBondContact O-N 2.88Å; L403-K406 VanDerWaalsContact O-N 3.09Å; L403-E407 PolarHBondContact O-N 3.19Å
404F61.1Low65.9Low143 Ų143110.6 Ų110.663%0.62760%0.604SS**Hα-helixtrans-61.5-41179.6-164.8-102.7000112.5G400 K406 E407 L408G400-F404 PolarHBondContact O-N 3.39Å; F404-K406 VanDerWaalsContact C-N 3.29Å; F404-K406 PolarHBondContact O-N 3.24Å; F404-E407 PolarHBondContact O-N 2.89Å; F404-L408 WeakPolarHBondContact O-CB 3.29Å; F404-L408 PolarHBondContact O-N 2.93Å
405S73.7Confident68.3Low70 Ų70107.3 Ų107.349%0.4959%0.592SS.*Hα-helixtrans-62-36.6175.1-60.50000112.5D401 L403 E409D401-S405 WeakPolarHBondContact O-CB 3.38Å; D401-S405 PolarHBondContact O-N 3.42Å; D401-S405 PolarHBondContact O-OG 3.43Å; L403-S405 PolarHBondContact O-N 3.06Å; S405-E409 WeakPolarHBondContact O-CB 3.39Å; S405-E409 PolarHBondContact O-N 2.89Å
406K78.9Confident70.6Confident150 Ų150104 Ų10465%0.65258%0.577SS**Hα-helixtrans-76-34.3-178.8-172.8172.8-179.4179.50112.2S402 L403 F404 N410S402-K406 WeakPolarHBondContact O-CB 3.38Å; L403-K406 PolarHBondContact O-N 2.88Å; L403-K406 VanDerWaalsContact O-N 3.09Å; F404-K406 VanDerWaalsContact C-N 3.29Å; F404-K406 PolarHBondContact O-N 3.24Å; K406-N410 WeakPolarHBondContact O-CB 3.29Å; K406-N410 PolarHBondContact O-N 3.42Å
407E81.8Confident73Confident120 Ų120105.8 Ų105.856%0.56157%0.566SS**Hα-helixtrans-66.4-45.4170.7-177.2167.9-155.500111.4L403 F404 E409 N410 M411L403-E407 PolarHBondContact O-N 3.19Å; F404-E407 PolarHBondContact O-N 2.89Å; E407-E409 PolarHBondContact O-N 3.14Å; E407-N410 WeakPolarHBondContact O-CB 3.29Å; E407-N410 PolarHBondContact O-N 2.94Å; E407-N410 VanDerWaalsContact O-N 3.11Å; E407-M411 PolarHBondContact O-N 3.12Å
408L84.6Confident75.2Confident105 Ų105103.2 Ų103.255%0.5556%0.556SS.*Hα-helixtrans-63.1-40.4176.1-171.264.7000112.3F404 N410 M411 G412F404-L408 WeakPolarHBondContact O-CB 3.29Å; F404-L408 PolarHBondContact O-N 2.93Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.08Å; L408-M411 PolarHBondContact O-N 3.17Å; L408-G412 PolarHBondContact O-N 3.2Å
409E83.2Confident77Confident109 Ų109104 Ų10451%0.50956%0.556SS.*Hα-helixtrans-65.3-34.3173.2-161-162157.900111.9S405 E407 K413S405-E409 WeakPolarHBondContact O-CB 3.39Å; S405-E409 PolarHBondContact O-N 2.89Å; E407-E409 PolarHBondContact O-N 3.14Å; E409-K413 WeakPolarHBondContact O-CD 3.43Å; E409-K413 VanDerWaalsContact O-CG 3.31Å; E409-K413 WeakPolarHBondContact O-CG 3.24Å; E409-K413 PolarHBondContact O-N 2.9Å; E409-K413 VanDerWaalsContact O-N 3.07Å; E409-K413 WeakPolarHBondContact OE1-CE 3.06Å; E409-K413 IonicContact OE1-NZ 3.19Å; E409-K413 PolarHBondContact OE1-NZ 2.82Å; E409-K413 IonicContact OE2-NZ 3.33Å
410N87.3Confident78.8Confident83 Ų83102.6 Ų102.644%0.44454%0.544SS..Hα-helixtrans-69.2-45175.7-171.761.4000111.9K406 E407 L408 G412 K413 Q414K406-N410 WeakPolarHBondContact O-CB 3.29Å; K406-N410 PolarHBondContact O-N 3.42Å; E407-N410 WeakPolarHBondContact O-CB 3.29Å; E407-N410 PolarHBondContact O-N 2.94Å; E407-N410 VanDerWaalsContact O-N 3.11Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.08Å; N410-G412 VanDerWaalsContact C-N 3.34Å; N410-G412 PolarHBondContact O-N 3.41Å; N410-K413 WeakPolarHBondContact O-CB 3.37Å; N410-K413 PolarHBondContact O-N 2.9Å; N410-Q414 PolarHBondContact O-N 3.1Å
411M85.1Confident80.4Confident100 Ų100103.5 Ų103.549%0.49354%0.537SS..Hα-helixtrans-63.3-38.8173.4-69.4-143.1-66.400112E407 L408 K413 Q414 L415E407-M411 PolarHBondContact O-N 3.12Å; L408-M411 PolarHBondContact O-N 3.17Å; M411-K413 VanDerWaalsContact C-N 3.3Å; M411-K413 PolarHBondContact O-N 3.03Å; M411-Q414 PolarHBondContact O-N 3.22Å; M411-L415 WeakPolarHBondContact O-CG 3.42Å; M411-L415 PolarHBondContact O-N 3.35Å
412G88.9Confident81.9Confident40 Ų40104.5 Ų104.541%0.41254%0.542SS..Hα-helixtrans-59.5-38.5173.100000113.1L408 N410 A416L408-G412 PolarHBondContact O-N 3.2Å; N410-G412 VanDerWaalsContact C-N 3.34Å; N410-G412 PolarHBondContact O-N 3.41Å; G412-A416 WeakPolarHBondContact O-CB 3.31Å; G412-A416 PolarHBondContact O-N 3.48Å; G412-A416 VanDerWaalsContact O-N 3.08Å
413K89.1Confident83.1Confident114 Ų114103.5 Ų103.550%0.49654%0.538SS..Hα-helixtrans-68.9-42.3174.1-72.7162.7-173.6165.60112.4E409 N410 M411 A416 E417E409-K413 WeakPolarHBondContact O-CD 3.43Å; E409-K413 VanDerWaalsContact O-CG 3.31Å; E409-K413 WeakPolarHBondContact O-CG 3.24Å; E409-K413 PolarHBondContact O-N 2.9Å; E409-K413 VanDerWaalsContact O-N 3.07Å; E409-K413 WeakPolarHBondContact OE1-CE 3.06Å; E409-K413 IonicContact OE1-NZ 3.19Å; E409-K413 PolarHBondContact OE1-NZ 2.82Å; E409-K413 IonicContact OE2-NZ 3.33Å; N410-K413 WeakPolarHBondContact O-CB 3.37Å; N410-K413 PolarHBondContact O-N 2.9Å; M411-K413 VanDerWaalsContact C-N 3.3Å; M411-K413 PolarHBondContact O-N 3.03Å; K413-A416 PolarHBondContact O-N 3.38Å; K413-E417 PolarHBondContact O-N 2.93Å
414Q82.4Confident83.8Confident108 Ų108102.4 Ų102.451%0.50553%0.528SS..Hα-helixtrans-62.9-42.1176.2-72.6179.3-17.200111.9N410 M411 E417 V418N410-Q414 PolarHBondContact O-N 3.1Å; M411-Q414 PolarHBondContact O-N 3.22Å; Q414-E417 PolarHBondContact O-N 3.02Å; Q414-V418 WeakPolarHBondContact O-CG2 3.42Å; Q414-V418 PolarHBondContact O-N 3.31Å
415L90.7Very high84.3Confident123 Ų123101.3 Ų101.364%0.64453%0.528SS*.Hα-helixtrans-62.7-42.9174.3-73.8169.2000112M411 E417 V418 E419M411-L415 WeakPolarHBondContact O-CG 3.42Å; M411-L415 PolarHBondContact O-N 3.35Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.99Å; L415-V418 PolarHBondContact O-N 2.78Å; L415-E419 WeakPolarHBondContact O-CB 3.5Å; L415-E419 PolarHBondContact O-N 3.08Å
416A90.1Very high84.1Confident54 Ų54100.6 Ų100.645%0.44653%0.526SS..Hα-helixtrans-65.6-30.1175.300000113.1G412 K413 K420G412-A416 WeakPolarHBondContact O-CB 3.31Å; G412-A416 PolarHBondContact O-N 3.48Å; G412-A416 VanDerWaalsContact O-N 3.08Å; K413-A416 PolarHBondContact O-N 3.38Å; A416-K420 WeakPolarHBondContact O-CB 3.48Å; A416-K420 PolarHBondContact O-N 3.14Å
417E88.6Confident83.5Confident114 Ų11498.6 Ų98.653%0.53352%0.519SS..Hα-helixtrans-73.5-41.1173.4-173.8145.6-124.200112K413 Q414 L415 K420 D421K413-E417 PolarHBondContact O-N 2.93Å; Q414-E417 PolarHBondContact O-N 3.02Å; L415-E417 VanDerWaalsContact C-N 3.29Å; L415-E417 PolarHBondContact O-N 2.99Å; E417-K420 PolarHBondContact O-N 3.46Å; E417-D421 WeakPolarHBondContact O-CB 3.35Å; E417-D421 PolarHBondContact O-N 2.96Å
418V90.1Very high82.4Confident100 Ų10097 Ų9761%0.60652%0.518SS*.Hα-helixtrans-63-43.5173170.60000111.7Q414 L415 D421 L422Q414-V418 WeakPolarHBondContact O-CG2 3.42Å; Q414-V418 PolarHBondContact O-N 3.31Å; L415-V418 PolarHBondContact O-N 2.78Å; V418-D421 PolarHBondContact O-N 3.05Å; V418-L422 WeakPolarHBondContact O-CB 3.46Å; V418-L422 PolarHBondContact O-N 3Å
419E87.9Confident81.1Confident144 Ų14494 Ų9467%0.67351%0.512SS*.Hα-helixtrans-64-42175.8-174.9177.3-162.400111.7L415 D421 L422 A423L415-E419 WeakPolarHBondContact O-CB 3.5Å; L415-E419 PolarHBondContact O-N 3.08Å; E419-D421 VanDerWaalsContact C-N 3.32Å; E419-D421 PolarHBondContact O-N 2.99Å; E419-L422 PolarHBondContact O-N 3.29Å; E419-A423 WeakPolarHBondContact O-CB 3.37Å; E419-A423 PolarHBondContact O-N 3.29Å
420K88.9Confident79.8Confident123 Ų12395 Ų9554%0.53551%0.514SS..Hα-helixtrans-62-37.1175177.7-175.8178.3-170.30112.3A416 E417 A423 K424A416-K420 WeakPolarHBondContact O-CB 3.48Å; A416-K420 PolarHBondContact O-N 3.14Å; E417-K420 PolarHBondContact O-N 3.46Å; K420-A423 PolarHBondContact O-N 3.27Å; K420-K424 WeakPolarHBondContact O-CG 3.47Å; K420-K424 PolarHBondContact O-N 3.08Å
421D86.5Confident77.8Confident66 Ų6698.7 Ų98.735%0.35353%0.531SS..Hα-helixtrans-79.6-32.7178.7-80.125.3000112.4E417 V418 E419 A423 K424 L425E417-D421 WeakPolarHBondContact O-CB 3.35Å; E417-D421 PolarHBondContact O-N 2.96Å; V418-D421 PolarHBondContact O-N 3.05Å; E419-D421 VanDerWaalsContact C-N 3.32Å; E419-D421 PolarHBondContact O-N 2.99Å; D421-A423 VanDerWaalsContact C-N 3.3Å; D421-A423 PolarHBondContact O-N 3.13Å; D421-K424 PolarHBondContact O-N 3.36Å; D421-K424 WeakPolarHBondContact OD1-CD 3.26Å; D421-K424 WeakPolarHBondContact OD1-CE 3.49Å; D421-K424 IonicContact OD1-NZ 3.85Å; D421-K424 PolarHBondContact OD1-NZ 3.14Å; D421-K424 IonicContact OD2-NZ 3.12Å; D421-K424 PolarHBondContact OD2-NZ 3.26Å; D421-L425 WeakPolarHBondContact O-CG 3.43Å; D421-L425 PolarHBondContact O-N 3.48Å
422L85.6Confident75.9Confident121 Ų12199.4 Ų99.463%0.63454%0.541SS*.Hα-helixtrans-60.3-40.5166-168.570.3000111.2V418 E419 L425 A426V418-L422 WeakPolarHBondContact O-CB 3.46Å; V418-L422 PolarHBondContact O-N 3Å; E419-L422 PolarHBondContact O-N 3.29Å; L422-L425 PolarHBondContact O-N 2.83Å; L422-A426 WeakPolarHBondContact O-CB 3.46Å; L422-A426 PolarHBondContact O-N 3.28Å
423A81.4Confident73.7Confident55 Ų55101.8 Ų101.846%0.45555%0.552SS.*Hα-helixtrans-66.6-40.5174.700000112.8E419 K420 D421 L425 A426 E427E419-A423 WeakPolarHBondContact O-CB 3.37Å; E419-A423 PolarHBondContact O-N 3.29Å; K420-A423 PolarHBondContact O-N 3.27Å; D421-A423 VanDerWaalsContact C-N 3.3Å; D421-A423 PolarHBondContact O-N 3.13Å; A423-L425 VanDerWaalsContact C-N 3.35Å; A423-L425 PolarHBondContact O-N 2.94Å; A423-A426 PolarHBondContact O-N 3.15Å; A423-E427 PolarHBondContact O-N 3.04Å; A423-E427 VanDerWaalsContact O-N 3.07Å
424K74.2Confident71.4Confident108 Ų108108.2 Ų108.247%0.4757%0.573SS.*Hα-helixtrans-57.7-46.8171-69.4171.3-166.8165.30111.1K420 D421 A426 E427 V428K420-K424 WeakPolarHBondContact O-CG 3.47Å; K420-K424 PolarHBondContact O-N 3.08Å; D421-K424 PolarHBondContact O-N 3.36Å; D421-K424 WeakPolarHBondContact OD1-CD 3.26Å; D421-K424 WeakPolarHBondContact OD1-CE 3.49Å; D421-K424 IonicContact OD1-NZ 3.85Å; D421-K424 PolarHBondContact OD1-NZ 3.14Å; D421-K424 IonicContact OD2-NZ 3.12Å; D421-K424 PolarHBondContact OD2-NZ 3.26Å; K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.42Å; K424-E427 PolarHBondContact O-N 3.45Å; K424-V428 WeakPolarHBondContact O-CG2 3.33Å; K424-V428 PolarHBondContact O-N 3.45Å
425L70.9Confident69Low121 Ų121109 Ų10963%0.63459%0.59SS**Hα-helixtrans-63.3-37.5178.3-72.1168.6000111.9D421 L422 A423 V428 G429D421-L425 WeakPolarHBondContact O-CG 3.43Å; D421-L425 PolarHBondContact O-N 3.48Å; L422-L425 PolarHBondContact O-N 2.83Å; A423-L425 VanDerWaalsContact C-N 3.35Å; A423-L425 PolarHBondContact O-N 2.94Å; L425-V428 PolarHBondContact O-N 3.3Å; L425-G429 PolarHBondContact O-N 3.06Å
426A70.8Confident66.7Low54 Ų54108.6 Ų108.645%0.44659%0.593SS.*Hα-helixtrans-65.3-37175.600000113.2L422 A423 K424 G429 K430L422-A426 WeakPolarHBondContact O-CB 3.46Å; L422-A426 PolarHBondContact O-N 3.28Å; A423-A426 PolarHBondContact O-N 3.15Å; K424-A426 VanDerWaalsContact C-N 3.32Å; K424-A426 PolarHBondContact O-N 3.42Å; A426-G429 PolarHBondContact O-N 3.29Å; A426-K430 WeakPolarHBondContact O-CG 3.32Å; A426-K430 PolarHBondContact O-N 3.36Å
427E64.9Low64Low109 Ų109113.7 Ų113.751%0.50961%0.612SS.*Hα-helixtrans-73.3-40173.6-68.7-54.1133.100112.5A423 K424 G429 K430 M431A423-E427 PolarHBondContact O-N 3.04Å; A423-E427 VanDerWaalsContact O-N 3.07Å; K424-E427 PolarHBondContact O-N 3.45Å; E427-G429 PolarHBondContact O-N 2.99Å; E427-K430 PolarHBondContact O-N 2.98Å; E427-K430 IonicContact OE1-NZ 3.43Å; E427-K430 PolarHBondContact OE1-NZ 3Å; E427-K430 WeakPolarHBondContact OE2-CD 3.45Å; E427-K430 IonicContact OE2-NZ 3.51Å; E427-M431 PolarHBondContact O-N 3.32Å
428V59Low61.3Low87 Ų87115.6 Ų115.653%0.52763%0.626SS.*Hα-helixtrans-58.7-35.9171.4171.40000111.1K424 L425 K430 M431K424-V428 WeakPolarHBondContact O-CG2 3.33Å; K424-V428 PolarHBondContact O-N 3.45Å; L425-V428 PolarHBondContact O-N 3.3Å; V428-K430 VanDerWaalsContact C-N 3.31Å; V428-K430 PolarHBondContact O-N 3.45Å; V428-M431 VanDerWaalsContact O-CG 3.25Å; V428-M431 WeakPolarHBondContact O-CG 3.33Å
429G57Low59.6Low41 Ų41115.1 Ų115.142%0.42363%0.625SS.*Hα-helixtrans-67.4-21.7173.700000115.3L425 A426 E427 T432L425-G429 PolarHBondContact O-N 3.06Å; A426-G429 PolarHBondContact O-N 3.29Å; E427-G429 PolarHBondContact O-N 2.99Å; G429-T432 PolarHBondContact O-OG1 3.17Å
430K55.5Low57Low129 Ų129117.2 Ų117.256%0.56164%0.635SS**Hα-helixtrans-81.2-33.9178.6-73.1169-173.5172.10112.7A426 E427 V428 T432 S433A426-K430 WeakPolarHBondContact O-CG 3.32Å; A426-K430 PolarHBondContact O-N 3.36Å; E427-K430 PolarHBondContact O-N 2.98Å; E427-K430 IonicContact OE1-NZ 3.43Å; E427-K430 PolarHBondContact OE1-NZ 3Å; E427-K430 WeakPolarHBondContact OE2-CD 3.45Å; E427-K430 IonicContact OE2-NZ 3.51Å; V428-K430 VanDerWaalsContact C-N 3.31Å; V428-K430 PolarHBondContact O-N 3.45Å; K430-T432 VanDerWaalsContact C-N 3.29Å; K430-T432 PolarHBondContact O-N 3.22Å; K430-S433 PolarHBondContact O-N 2.85Å
431M45.3Very low54.1Low161 Ų161114.8 Ų114.879%0.79364%0.644SS**THydrogen-bonded Turntrans-76.7-6.5-174.852.9-169.9-70.300115.1E427 V428E427-M431 PolarHBondContact O-N 3.32Å; V428-M431 VanDerWaalsContact O-CG 3.25Å; V428-M431 WeakPolarHBondContact O-CG 3.33Å
432T46Very low51.6Low115 Ų115117 Ų11771%0.70667%0.665SS**THydrogen-bonded Turntrans-87.1-11.8169.752.20000113.7G429 K430 R434G429-T432 PolarHBondContact O-OG1 3.17Å; K430-T432 VanDerWaalsContact C-N 3.29Å; K430-T432 PolarHBondContact O-N 3.22Å; T432-R434 PolarHBondContact O-N 3.48Å
433S42.5Very low49.1Very low91 Ų91118.2 Ų118.264%0.63667%0.671SS**SBendtrans-93.244.1-167.5-67.20000115K430K430-S433 PolarHBondContact O-N 2.85Å
434R41Very low46.7Very low249 Ų249122.3 Ų122.394%0.9469%0.685SS**  trans-161.270.2170.9-116.9168.2-163.3-144.93.1115.9T432T432-R434 PolarHBondContact O-N 3.48Å
435S32.9Very low44.6Very low123 Ų123124.8 Ų124.886%0.8670%0.698SS**  trans-147.3152153.8-166.10000110.4
436T40.7Very low43Very low115 Ų115124.6 Ų124.671%0.70670%0.701SS**  trans-114.3141-163.650.60000114.4
437N33.3Very low41.3Very low161 Ų161127.8 Ų127.886%0.86172%0.718SS**  trans91.1135.4157.6-53.7-29.9000119
438N31.9Very low40Very low155 Ų155129 Ų12983%0.82973%0.727SS**  trans-77.3177.1175.8-114.9-25.8000111.8
439P54.8Low38.5Very low89 Ų89134.3 Ų134.358%0.57874%0.738SS**  cis-135.8178.9-10.528-4.7000115.5
440H33.9Very low37Very low189 Ų189140.6 Ų140.688%0.87576%0.755SS**  trans73.6107.3162.4-57.5-65.6000120.3
441G27.9Very low35.6Very low71 Ų71145.1 Ų145.173%0.73277%0.769SS**  trans-167.3132.3154.200000106.8
442S33.5Very low34.7Very low113 Ų113143.4 Ų143.479%0.7977%0.768SS**  cis69.7128.614.8-1510000115.9
443L33.3Very low33.9Very low146 Ų146144.6 Ų144.676%0.76477%0.769SS**  trans72105.1170.5-60.9168.5000119.4
444L31.7Very low34.1Very low141 Ų141145.5 Ų145.574%0.73877%0.773SS**  51.4124.6127-53.7176.3000121.5
445H29.4Very low33.6Very low161 Ų161139.7 Ų139.775%0.74576%0.76SS**  trans45.5118.4139.2-68.8-82.3000121.8
446T37.1Very low33.5Very low116 Ų116139.4 Ų139.471%0.71275%0.754SS**  18.7132.6129.9-14.40000119.7
447P35Very low33.1Very low122 Ų122141.1 Ų141.179%0.79276%0.758SS**  -129.6153.5124.537-30.2000114.5
448L38.1Very low33.9Very low133 Ų133138.1 Ų138.170%0.69675%0.747SS**  trans-66.3162.9168.6-71.262.9000111.2
449R27.2Very low33.8Very low200 Ų200138.6 Ų138.676%0.75575%0.749SS**  -179.7110.2110.3-87.9-52171176.9-5.4115.4
450H27.1Very low32.6Very low172 Ų172139.7 Ų139.780%0.79675%0.754SS**  trans77.7154.9130.3-82.8-130000124.8
451R25.1Very low32.4Very low225 Ų225135.5 Ų135.585%0.84975%0.746SS**  trans81.7134.6162.7-96-170163.6159.5-4.3117.7
452T27.4Very low32.6Very low125 Ų125139 Ų13977%0.76775%0.747SS**  cis-151.8167.1-1.2-30.10000112.9
453L28.5Very low32.4Very low139 Ų139140.3 Ų140.373%0.72874%0.744SS**  trans-75170.3173.5-83.4162.3000114.4
454P46.7Very low32.2Very low111 Ų111139 Ų13972%0.72175%0.747SS**  -116.2144.182.7-2.124.1000113.3
455D30.8Very low31.8Very low126 Ų126143.6 Ų143.667%0.67476%0.755SS**  76.9136.272.7-63.9-47.4000113.8
456T29.4Very low32.8Very low117 Ų117140.2 Ų140.272%0.71875%0.747SS**  cis-144.813328.652.90000116.7
457L33.3Very low32.3Very low151 Ų151143.4 Ų143.479%0.79175%0.753SS**  59.2159.4121.4-56.9-177.7000123.9
458P48.9Very low32Very low99 Ų99142.8 Ų142.864%0.64375%0.752SS**  cis-144.1158.6-29.436-16.7000118.8
459L31.5Very low32.9Very low164 Ų164142.2 Ų142.286%0.85976%0.756SS**  trans67.1157.7148.4-68.8164.3000119.7
460T29Very low33Very low113 Ų113137.9 Ų137.969%0.69376%0.763SS**  cis-144146.715.2460000115.4
461S30.3Very low33Very low101 Ų101133.3 Ų133.371%0.70676%0.763SS**  trans65.7153.3139.3-60.50000123.6
462L32Very low33.2Very low143 Ų143126.2 Ų126.275%0.74976%0.76SS**  cis-166.8145.4-17.9-101.5174.1000112.4
463I29.1Very low33.6Very low141 Ų141128.6 Ų128.672%0.72377%0.767SS**  trans60120.6149.2-50.2156.4000122.3
464S28.4Very low33.8Very low119 Ų119127.7 Ų127.783%0.83277%0.772SS**  169.5148.5123.3-78.10000117.5
465R24.4Very low32.9Very low238 Ų238125.2 Ų125.290%0.89877%0.766SS**  trans-159.5175.3168.5-134.3-155.4156.8-162.1-2.7106.1
466P48.8Very low33.1Very low89 Ų89129 Ų12958%0.57878%0.777SS**  cis-144.5-159.46.143.4-20.6000117
467Q27.3Very low33.2Very low183 Ų183129.2 Ų129.286%0.85578%0.784SS**  trans92.6161152-81.4170.9-600122.6
468S29.1Very low33.1Very low109 Ų109128 Ų12876%0.76279%0.786SS**  trans-168.3-167-170.164.10000107.5
469P56.4Low32.1Very low121 Ų121126 Ų12679%0.78678%0.784SS**  cis-131.8174.5-26.540.8-25.7000114.3
470A29.4Very low32.1Very low109 Ų109127 Ų12790%0.90179%0.788SS**  trans-171.2159.315900000111.6
471G27.3Very low32.1Very low77 Ų77124.8 Ų124.879%0.79479%0.788SS**  cis161.2133.8-1400000115.2
472G28.6Very low32.1Very low75 Ų75128.3 Ų128.377%0.77380%0.798SS**  trans77.216916700000117.2
473L36.6Very low32.7Very low175 Ų175126.9 Ų126.992%0.91680%0.797SS**  cis-163.8162.5-16.5-86.6-178.2000105.9
474S32.4Very low32.8Very low121 Ų121127.5 Ų127.585%0.84680%0.801SS**  cis-142.5-155.9-2.4-154.70000107
475G28.7Very low32.8Very low58 Ų58129.6 Ų129.660%0.59880%0.802SS**  cis-166.3-169.12.900000110
476K34.3Very low33.1Very low205 Ų205123 Ų12389%0.89179%0.792SS**  trans-155.6168-166.8-63.4-176.1-179.2177.10117.6
477S31.5Very low32.8Very low123 Ų123124.7 Ų124.786%0.8680%0.803SS**  trans82150.5159.181.90000116.9
478C31.6Very low32.9Very low124 Ų124125.2 Ų125.284%0.83880%0.803SS**  cis-147-173.20.274.40000109.5
479G28.4Very low34Very low59 Ų59125.2 Ų125.261%0.60880%0.8SS**  cis159.4163.20.100000111.7
480I31.5Very low32.8Very low185 Ų185125.9 Ų125.995%0.94980%0.802SS**  trans70.7147.2173.3-49.1155.6000114
481G27.6Very low32.9Very low66 Ų66125.5 Ų125.568%0.6879%0.793SS**  cis-178.3163.4-6.300000111.8
482L29.7Very low33.2Very low174 Ų174128.8 Ų128.891%0.91179%0.791SS**  trans-94.8-177.4179.5-60.1174.1000111.1
483P45.2Very low33.3Very low113 Ų113129.7 Ų129.773%0.73479%0.786SS**  cis-142.9174.24.344.4-25.6000118.6
484L31.2Very low33.1Very low154 Ų154129.4 Ų129.481%0.80678%0.782SS**  trans30.9128.6136.9-168.772.1000122
485L29.4Very low32.8Very low163 Ų163128 Ų12885%0.85377%0.772SS**  -179161123.1-99.4168.4000114.8
486S30.2Very low33Very low99 Ų99133.3 Ų133.369%0.69278%0.784SS**  trans-128160.1168740000107.9
487P41.7Very low32.9Very low125 Ų125128.6 Ų128.681%0.81278%0.776SS**  -152.9-167.265.941-18.6000116.5
488K30.5Very low33Very low194 Ų194131.8 Ų131.884%0.84378%0.78SS**  trans-87.6178164.5-101.5166.9179.21690110.2
489P51.4Low32.8Very low109 Ų109128.8 Ų128.871%0.70877%0.77SS**  cis-150.9-172.832.540.8-17.7000119
490T32.5Very low33.2Very low136 Ų136136.9 Ų136.983%0.83478%0.783SS**  trans66.1156.6163.315.20000116.7
491S29.9Very low33.3Very low101 Ų101133.3 Ų133.371%0.70677%0.77SS**  cis-153.3173.1-6.770.10000107.9
492L35Very low34.9Very low145 Ų145135.5 Ų135.576%0.75977%0.771SS**  cis-139.7-122.1-4.5-139.3172.8000105.8
493S30.6Very low34.7Very low95 Ų95133.2 Ų133.266%0.66477%0.77SS**  cis-171.2136.7-35.537.50000105.6
494M31.3Very low33.9Very low168 Ų168135.4 Ų135.483%0.82878%0.776SS**  cis-134.4-131.3-9.7-85.9-77.2-15700106.2
495S27.6Very low34.6Very low92 Ų92133.8 Ų133.864%0.64378%0.775SS**  cis-163.6121.8-6.450.50000112
496M31.9Very low34.5Very low170 Ų170129.3 Ų129.384%0.83777%0.767SS**  trans62.1152.8160.3-47.6-47.8143.200118.5
497S33.1Very low34.5Very low105 Ų105130.5 Ų130.573%0.73478%0.776SS**  cis177.8150.2-23.955.30000106.1
498M32.6Very low33.9Very low190 Ų190135.3 Ų135.394%0.93678%0.778SS**  cis-160.5176-5.3-107.4-67-161.800104.9
499G27.7Very low33.9Very low62 Ų62131 Ų13164%0.63977%0.767SS**  cis-180163.2-0.600000107.9
500R35.6Very low32.9Very low229 Ų229133.8 Ų133.886%0.86477%0.771SS**  trans-157.7155.8-171.1-155.2-166.7169.2-147-0.6114
501T33.7Very low32.9Very low110 Ų110133.3 Ų133.368%0.67577%0.768SS**  trans71.5177.2163.671.30000117.4
502P61Low33.4Very low111 Ų111133.9 Ų133.972%0.72177%0.769SS**  -137.2-179.9-5736.9-19.9000114.6
503S25.8Very low33.1Very low126 Ų126138.5 Ų138.588%0.88178%0.777SS**  trans176.9173140.238.30000114.8
504N29.6Very low33.4Very low159 Ų159140.3 Ų140.385%0.8578%0.784SS**  trans-120.6-171.6-178.2-128.5-14.9000108.6
505P46.3Very low34.2Very low121 Ų121137.7 Ų137.779%0.78678%0.779SS**  cis-129.9-176.64.242.5-24.3000115.3
506G26.2Very low34.2Very low68 Ų68139 Ų13970%0.70179%0.789SS**  trans-114-171.7-176.400000116.9
507S31.2Very low34.4Very low124 Ų124142.1 Ų142.187%0.86779%0.791SS**  trans-173136.3166-880000114.5
508R29.2Very low35Very low227 Ų227141.7 Ų141.786%0.85779%0.786SS**  trans55.1140.1147.7-116.8174.9-176.7-162.10.5118.7
509T28.8Very low34.9Very low102 Ų102140.3 Ų140.363%0.62678%0.782SS**  cis-164127.843.8-54.60000114.2
510Q30.4Very low35.4Very low169 Ų169143.3 Ų143.379%0.7979%0.788SS**  trans50137149-58.8175.156.800123.5
511T34Very low36Very low125 Ų125137.5 Ų137.577%0.76778%0.78SS**  trans-97.4173.115357.70000109.9
512P40Very low35.8Very low113 Ų113139.8 Ų139.873%0.73479%0.788SS**  -153.6143101.337.4-19.1000118.2
513R29.2Very low34.5Very low243 Ų243139.4 Ų139.492%0.91779%0.788SS**  trans54.3139.1132-61.5-177.4174.1174.5-2.3123.5
514T35.9Very low35.1Very low132 Ų132141 Ų14181%0.8179%0.785SS**  trans-80.9-174.1152.555.50000110.6
515P48.2Very low35.5Very low113 Ų113140.6 Ų140.673%0.73478%0.783SS**  cis-131.7176.1-6.942.9-28.2000114.7
516S26.9Very low34.9Very low121 Ų121140.4 Ų140.485%0.84678%0.779SS**  trans174.1144137.853.30000114.8
517R37.1Very low35Very low234 Ų234147.9 Ų147.988%0.88379%0.787SS**  trans-98.1163.8155.7-151.3167.1176.8-105.80.5105.7
518P45.3Very low34.9Very low96 Ų96146.9 Ų146.962%0.62378%0.78SS**  cis-155.9-163.830.743.9-19.9000118.7
519L31.3Very low34.9Very low161 Ų161140.1 Ų140.184%0.84377%0.767SS**  trans81.2124.4156.6-67.6168000121.3
520T38.3Very low35Very low125 Ų125145 Ų14577%0.76778%0.78SS**  trans-76.1163155.532.80000110.3
521P47.6Very low35.2Very low108 Ų108143.8 Ų143.870%0.70178%0.779SS**  -158.4-170.567.643.5-20.5000119.2
522N28.6Very low35.5Very low157 Ų157143.8 Ų143.884%0.8478%0.781SS**  trans96.2153.4157.4-64.4-19.5000120.3
523S34.4Very low34.8Very low104 Ų104142 Ų14273%0.72778%0.783SS**  trans-137.7-147.2-168.364.30000110.4
524L39.1Very low34.8Very low158 Ų158135.1 Ų135.183%0.82778%0.778SS**  trans76.2144.6-170.4-42.4175.3000112
525L38.4Very low34.4Very low151 Ų151136.4 Ų136.479%0.79178%0.775SS**  cis-138.5149.218.4-76.6165.4000114.8
526T32.1Very low33.7Very low117 Ų117137.9 Ų137.972%0.71877%0.77SS**  trans-17.2155.714659.70000119.2
527R29.4Very low33.9Very low226 Ų226139.1 Ų139.185%0.85376%0.762SS**  cis-156.5167.749.6-79.7177.5151.6-128.42.8110.7
528S28.1Very low33.7Very low103 Ų103133.8 Ų133.872%0.7276%0.755SS**  cis79.7133.129.2-179.30000116.1
529S29.7Very low33.1Very low84 Ų84134.8 Ų134.859%0.58776%0.76SS**  cis-172.7174-15.7-173.70000110.5
530F31.6Very low33.1Very low204 Ų204134.3 Ų134.390%0.89575%0.751SS**  trans81.3167.8161.5-65-67.7000121.9
531N34.6Very low32.8Very low144 Ų144137 Ų13777%0.7775%0.747SS**  trans-135.6148.8-156.7-166.8-8.4000108.8
532P39.3Very low32.1Very low126 Ų126142.5 Ų142.582%0.81875%0.754SS**  -158.6179.8105.841.2-22.6000116.3
533G26.4Very low32.3Very low75 Ų75139.6 Ų139.677%0.77375%0.746SS**  trans130.481.2140.300000121.6
534A28.4Very low32.3Very low99 Ų99146.1 Ų146.182%0.81876%0.755SS**  trans-3.4130.5152.300000124.8
535H28.7Very low32Very low159 Ų159144 Ų14474%0.73675%0.753SS**  86.2135.9122.3-158.538.6000123
536K33Very low32.1Very low144 Ų144148 Ų14863%0.62676%0.758SS**  trans74.1148169.1-55.8-174.6176.9-61.30117.1
537E30.6Very low32.2Very low146 Ų146148.4 Ų148.468%0.68276%0.763SS**  cis-154.1152.4-12.4-122.8152.9-143.900112.5
538V32.9Very low32.4Very low123 Ų123144.3 Ų144.375%0.74576%0.762SS**  trans16.3122.9146.7177.10000118
539T32.8Very low32.8Very low116 Ų116145.5 Ų145.571%0.71277%0.765SS**  -175.1178.576-16.30000109.3
540F32Very low33.3Very low151 Ų151147.9 Ų147.966%0.66278%0.779SS**  cis-162.7160.1-5.8-147.7-3.8000110.6
541R32.2Very low33.3Very low181 Ų181144.8 Ų144.868%0.68378%0.777SS**  trans64.2146160.4-54.6-61.8167.8142.2-0.5117.5
542R32.3Very low33.1Very low224 Ų224143.6 Ų143.685%0.84578%0.779SS**  cis-150.1164.6-13.3-160.6173.4-173.4160.90.6108.7
543S32.4Very low32.8Very low97 Ų97146.1 Ų146.168%0.67878%0.781SS**  trans-124151.3-159.9-25.20000115.4
544R33.9Very low34Very low240 Ų240147.9 Ų147.991%0.90678%0.778SS**  trans67.2161151.7-66.4178.4-176.1-144.21116.4
545S33.7Very low34.1Very low114 Ų114149 Ų14980%0.79778%0.777SS**  cis-159.9179.6-224.50000111.8
546R39.2Very low34.4Very low235 Ų235149.3 Ų149.389%0.88778%0.784SS**  trans-61.8162173.6-53.2174.6178.6-138.62.9114.6
547P34.4Very low35Very low126 Ų126147.2 Ų147.282%0.81878%0.784SS**  trans-106.8176.6152.838.1-29.8000113.7
548V34Very low35.2Very low139 Ų139151 Ų15184%0.84279%0.792SS**  trans-137.1166.3-177.1173.30000110.1
549T35.8Very low35.8Very low129 Ų129149.8 Ų149.879%0.79179%0.787SS**  trans-70.8155.1-176.848.70000116.6
550P40.6Very low35.6Very low133 Ų133152.3 Ų152.386%0.86480%0.795SS**  trans-121.8-173.9147.637.9-26000113
551T31.9Very low35.8Very low140 Ų140152.4 Ų152.486%0.85980%0.802SS**  trans-137.3149.2-165.1-172.70000114.8
552S29.6Very low36Very low118 Ų118150.1 Ų150.183%0.82581%0.808SS**  trans-173.6162.4155.6530000113
553Q33.6Very low36.3Very low180 Ų180145.2 Ų145.284%0.84181%0.806SS**  trans-108.9-167.4-176.8-64.3-178.4-22.200112
554P51.4Low36.7Very low111 Ų111146.2 Ų146.272%0.72181%0.809SS**  -120.8178.2-65.236.5-22.3000112.1
555P31.4Very low36.8Very low124 Ų124138.7 Ų138.781%0.80581%0.807SS**  -148.4163110.238.1-22.6000116.5
556L34.9Very low37Very low165 Ų165140 Ų14086%0.86481%0.805SS**  trans-115168.5165.6-85.1169.5000108.5
557P45.8Very low36.6Very low99 Ų99133.5 Ų133.564%0.64380%0.795SS**  cis-145.8166.122.542.4-23000119.7
558R35.1Very low36.6Very low226 Ų226132.7 Ų132.785%0.85379%0.788SS**  trans73.4165.2140.2-81.7175.8-165.41674.6119.9
559P44.8Very low37Very low97 Ų97131.2 Ų131.263%0.6378%0.779SS**  -148.2138.2-63.938.4-17.5000116.8
560L28.3Very low37.3Very low169 Ų169132.2 Ų132.289%0.88578%0.78SS**  trans-147116.7152.6-71.7178.2000107.9
561L36Very low37.3Very low153 Ų153130 Ų13080%0.80177%0.767SS**  76.856.559.4-70.3176.8000116.2
562T37.1Very low38Very low134 Ų134126.3 Ų126.382%0.82274%0.742SS**  trans-169.1131.713750000111.9
563P37.9Very low39Very low121 Ų121122.9 Ų122.979%0.78673%0.725SS**PPolyproline II helixtrans-97.4122166.733.4-27.4000111.6
564P41.3Very low39.8Very low117 Ų117117.9 Ų117.976%0.7671%0.714SS**PPolyproline II helixtrans-63.9156.5161.2-20.734.3000111.7
565G36.7Very low39.8Very low83 Ų83115.7 Ų115.786%0.85670%0.702SS**PPolyproline II helixtrans-65.9149-175.800000114.2
566L36.3Very low40.7Very low142 Ų142114 Ų11474%0.74369%0.685SS**PPolyproline II helixtrans-98.3124.6-178.5-70.1168.2000111.8L572L566-L572 HydrophobicContact CD1-CD2 3.99Å; L566-L572 HydrophobicContact CD2-CD2 4.33Å
567S31.8Very low41.7Very low98 Ų98114 Ų11469%0.68567%0.674SS**  trans-105.3160.7153.861.40000109.4
568T33.6Very low42.2Very low108 Ų108112.8 Ų112.866%0.66367%0.672SS**  trans62.6117.9176.968.70000116
569T43.5Very low43.2Very low108 Ų108111.5 Ų111.566%0.66367%0.669SS**SBendtrans-79.3-25.3-174.539.40000114.5S571 L572T569-S571 VanDerWaalsContact C-N 3.3Å; T569-S571 PolarHBondContact O-N 3.1Å; T569-L572 PolarHBondContact O-N 3.33Å
570D42.5Very low44.3Very low151 Ų151109.8 Ų109.881%0.80765%0.654SS**THydrogen-bonded Turntrans-74.5-15.8-163.8-58.5-24000114.6
571S40.8Very low46.5Very low85 Ų85104.3 Ų104.359%0.59463%0.63SS**THydrogen-bonded Turntrans-83.9-14.7175.4-68.40000114T569 G573 A574 S575T569-S571 VanDerWaalsContact C-N 3.3Å; T569-S571 PolarHBondContact O-N 3.1Å; S571-G573 PolarHBondContact O-N 2.92Å; S571-A574 PolarHBondContact O-N 3.18Å; S571-S575 PolarHBondContact O-N 3.41Å
572L46.3Very low48.1Very low64 Ų64102.8 Ų102.834%0.33562%0.619SS.*Hα-helixtrans-71.4-33.5-172-67.9172.7000113.3L566 T569 A574 S575 L576L566-L572 HydrophobicContact CD1-CD2 3.99Å; L566-L572 HydrophobicContact CD2-CD2 4.33Å; T569-L572 PolarHBondContact O-N 3.33Å; L572-A574 PolarHBondContact O-N 2.97Å; L572-S575 PolarHBondContact O-N 3.06Å; L572-L576 PolarHBondContact O-N 3.35Å
573G49.1Very low49.8Very low45 Ų45102.7 Ų102.746%0.46461%0.613SS.*Hα-helixtrans-65.9-23.4177.900000114.3S571S571-G573 PolarHBondContact O-N 2.92Å
574A51.7Low51.7Low75 Ų75102 Ų10262%0.6260%0.599SS**Hα-helixtrans-81.7-41.4172.200000111.8S571 L572S571-A574 PolarHBondContact O-N 3.18Å; L572-A574 PolarHBondContact O-N 2.97Å
575S51.7Low53.7Low66 Ų6698.5 Ų98.546%0.46257%0.572SS.*Hα-helixtrans-71.2-42.8-175.9-167.80000113.2S571 L572 R577 A578S571-S575 PolarHBondContact O-N 3.41Å; L572-S575 PolarHBondContact O-N 3.06Å; S575-R577 VanDerWaalsContact C-N 3.33Å; S575-R577 PolarHBondContact O-N 3.29Å; S575-A578 WeakPolarHBondContact O-CB 3.39Å; S575-A578 PolarHBondContact O-N 3.05Å; S575-A578 VanDerWaalsContact O-N 3.08Å
576L49.7Very low55.5Low88 Ų88100.3 Ų100.346%0.46155%0.554SS.*Hα-helixtrans-64.2-34.6-178.6-84.2159.6000113.3L572 A578 Y579 L580L572-L576 PolarHBondContact O-N 3.35Å; L576-A578 PolarHBondContact O-N 3.39Å; L576-Y579 PolarHBondContact O-N 3Å; L576-L580 HydrophobicContact CD2-CD1 4.1Å; L576-L580 PolarHBondContact O-N 3.13Å
577R55.7Low57.5Low166 Ų16699.6 Ų99.663%0.62655%0.547SS*.THydrogen-bonded Turntrans-71.3-3.3175.7-66.9-157-60.6165.40.9114.5S575 F585S575-R577 VanDerWaalsContact C-N 3.33Å; S575-R577 PolarHBondContact O-N 3.29Å; R577-F585 HydrophobicContact CG-CD2 4.02Å; R577-F585 HydrophobicContact CG-CE2 3.98Å; R577-F585 HydrophobicContact CG-CG 4.33Å; R577-F585 HydrophobicContact CG-CZ 4.26Å
578A56.5Low59.5Low73 Ų73100.6 Ų100.660%0.60354%0.541SS*.THydrogen-bonded Turntrans-91.1-10.217300000113.6S575 L576S575-A578 WeakPolarHBondContact O-CB 3.39Å; S575-A578 PolarHBondContact O-N 3.05Å; S575-A578 VanDerWaalsContact O-N 3.08Å; L576-A578 PolarHBondContact O-N 3.39Å
579Y56.7Low61.4Low198 Ų19898.2 Ų98.278%0.77652%0.524SS*.THydrogen-bonded Turntrans-132.9-11.8-170.5-69.2-74.6000115.8L576L576-Y579 PolarHBondContact O-N 3Å
580L67.7Low62.7Low61 Ų6198.4 Ų98.432%0.31952%0.517SS..SBendtrans-111150.1173-61.5177.7000109.9L576 E584L576-L580 HydrophobicContact CD2-CD1 4.1Å; L576-L580 PolarHBondContact O-N 3.13Å; L580-E584 HydrophobicContact CB-CB 4.31Å
581S73.1Confident63.8Low54 Ų5494.3 Ų94.338%0.37851%0.505SS..  trans-64.7157.6166.564.60000110.9D583 E584 F585S581-D583 VanDerWaalsContact C-N 3.26Å; S581-D583 PolarHBondContact O-N 2.8Å; S581-E584 VanDerWaalsContact CB-OE2 3.29Å; S581-E584 WeakPolarHBondContact CB-OE2 3.47Å; S581-E584 PolarHBondContact N-OE2 3.44Å; S581-E584 PolarHBondContact O-N 3.03Å; S581-E584 WeakPolarHBondContact OG-CB 3.35Å; S581-E584 VanDerWaalsContact OG-CD 3.25Å; S581-E584 WeakPolarHBondContact OG-CG 3.37Å; S581-E584 PolarHBondContact OG-N 3.35Å; S581-E584 PolarHBondContact OG-OE2 2.65Å; S581-F585 PolarHBondContact O-N 3.02Å
582E70.6Confident64.9Low122 Ų12296.3 Ų96.357%0.5751%0.507SS*.Hα-helixtrans-63-35.6-179-177.6153.8-157.600111.5F585 Y586E582-F585 PolarHBondContact O-N 2.92Å; E582-Y586 HydrophobicContact CG-CD2 3.85Å; E582-Y586 HydrophobicContact CG-CE2 3.42Å; E582-Y586 VanDerWaalsContact CG-CE2 3.42Å; E582-Y586 WeakPolarHBondContact O-CD2 3.36Å; E582-Y586 PolarHBondContact O-N 3.21Å; E582-Y586 PolarHBondContact OE1-OH 2.98Å
583D73.6Confident65.5Low131 Ų131102.4 Ų102.470%0.70153%0.526SS*.Hα-helixtrans-66.1-45.5174.1-59.5-52.3000112.5S581 F585 Y586 Q587S581-D583 VanDerWaalsContact C-N 3.26Å; S581-D583 PolarHBondContact O-N 2.8Å; D583-F585 VanDerWaalsContact C-N 3.31Å; D583-F585 PolarHBondContact O-N 2.94Å; D583-Y586 PolarHBondContact O-N 3.44Å; D583-Q587 WeakPolarHBondContact O-CB 3.37Å; D583-Q587 PolarHBondContact O-N 3.23Å
584E76.4Confident65.8Low106 Ų106106.3 Ų106.350%0.49553%0.532SS..Hα-helixtrans-61.4-39.3174.2-74.6166.1126.500111.7L580 S581 Q587 Q588L580-E584 HydrophobicContact CB-CB 4.31Å; S581-E584 VanDerWaalsContact CB-OE2 3.29Å; S581-E584 WeakPolarHBondContact CB-OE2 3.47Å; S581-E584 PolarHBondContact N-OE2 3.44Å; S581-E584 PolarHBondContact O-N 3.03Å; S581-E584 WeakPolarHBondContact OG-CB 3.35Å; S581-E584 VanDerWaalsContact OG-CD 3.25Å; S581-E584 WeakPolarHBondContact OG-CG 3.37Å; S581-E584 PolarHBondContact OG-N 3.35Å; S581-E584 PolarHBondContact OG-OE2 2.65Å; E584-Q587 PolarHBondContact O-N 2.72Å; E584-Q588 WeakPolarHBondContact O-CB 3.34Å; E584-Q588 PolarHBondContact O-N 3.1Å
585F83.4Confident65.7Low45 Ų45108.1 Ų108.120%0.19754%0.537CS..Hα-helixtrans-62.4-45.3175.4176.7-97000111.5R577 S581 E582 D583 Q588 L589R577-F585 HydrophobicContact CG-CD2 4.02Å; R577-F585 HydrophobicContact CG-CE2 3.98Å; R577-F585 HydrophobicContact CG-CG 4.33Å; R577-F585 HydrophobicContact CG-CZ 4.26Å; S581-F585 PolarHBondContact O-N 3.02Å; E582-F585 PolarHBondContact O-N 2.92Å; D583-F585 VanDerWaalsContact C-N 3.31Å; D583-F585 PolarHBondContact O-N 2.94Å; F585-Q588 PolarHBondContact O-N 3.43Å; F585-L589 HydrophobicContact CZ-CD1 4.25Å; F585-L589 WeakPolarHBondContact O-CB 3.42Å; F585-L589 PolarHBondContact O-N 2.99Å
586Y75.4Confident65.3Low120 Ų120116.7 Ų116.747%0.47156%0.56SS.*Hα-helixtrans-67.1-36.2174.8-74.7-59.4000112.8E582 D583 L589 Q590E582-Y586 HydrophobicContact CG-CD2 3.85Å; E582-Y586 HydrophobicContact CG-CE2 3.42Å; E582-Y586 VanDerWaalsContact CG-CE2 3.42Å; E582-Y586 WeakPolarHBondContact O-CD2 3.36Å; E582-Y586 PolarHBondContact O-N 3.21Å; E582-Y586 PolarHBondContact OE1-OH 2.98Å; D583-Y586 PolarHBondContact O-N 3.44Å; Y586-L589 PolarHBondContact O-N 3.45Å; Y586-Q590 WeakPolarHBondContact O-CG 3.47Å; Y586-Q590 PolarHBondContact O-N 2.88Å
587Q77.8Confident65Low127 Ų127121 Ų12159%0.59358%0.577SS**Hα-helixtrans-63.6-44.8175.5-160.782.196.400111.3D583 E584 L589 Q590 A591D583-Q587 WeakPolarHBondContact O-CB 3.37Å; D583-Q587 PolarHBondContact O-N 3.23Å; E584-Q587 PolarHBondContact O-N 2.72Å; Q587-L589 VanDerWaalsContact C-N 3.33Å; Q587-L589 PolarHBondContact O-N 2.9Å; Q587-Q590 PolarHBondContact O-N 3.19Å; Q587-A591 PolarHBondContact O-N 2.93Å
588Q73.1Confident64.4Low119 Ų119119.5 Ų119.556%0.55658%0.58SS**Hα-helixtrans-60.3-42.3173.4-162.283-900111.1E584 F585 Q590 A591 I592E584-Q588 WeakPolarHBondContact O-CB 3.34Å; E584-Q588 PolarHBondContact O-N 3.1Å; F585-Q588 PolarHBondContact O-N 3.43Å; Q588-Q590 VanDerWaalsContact C-N 3.35Å; Q588-Q590 PolarHBondContact O-N 3.15Å; Q588-A591 PolarHBondContact O-N 2.82Å; Q588-I592 HydrophobicContact CG-CD1 4.24Å; Q588-I592 WeakPolarHBondContact O-CD1 3.48Å; Q588-I592 VanDerWaalsContact O-CG1 3.31Å; Q588-I592 WeakPolarHBondContact O-CG1 3.4Å; Q588-I592 PolarHBondContact O-N 3.16Å
589L74.7Confident63.6Low58 Ų58120.9 Ų120.930%0.30458%0.583SS.*Hα-helixtrans-67.6-33178.2-142.376.7000112.6F585 Y586 Q587 R593F585-L589 HydrophobicContact CZ-CD1 4.25Å; F585-L589 WeakPolarHBondContact O-CB 3.42Å; F585-L589 PolarHBondContact O-N 2.99Å; Y586-L589 PolarHBondContact O-N 3.45Å; Q587-L589 VanDerWaalsContact C-N 3.33Å; Q587-L589 PolarHBondContact O-N 2.9Å; L589-R593 WeakPolarHBondContact O-CB 3.35Å; L589-R593 WeakPolarHBondContact O-CG 3.18Å; L589-R593 PolarHBondContact O-N 3.39Å
590Q71.2Confident62.6Low112 Ų112115.7 Ų115.752%0.52358%0.575SS.*Hα-helixtrans-71.7-36.9172.5-77.6-178.7-16.100112.3Y586 Q587 Q588 R593 Q594Y586-Q590 WeakPolarHBondContact O-CG 3.47Å; Y586-Q590 PolarHBondContact O-N 2.88Å; Q587-Q590 PolarHBondContact O-N 3.19Å; Q588-Q590 VanDerWaalsContact C-N 3.35Å; Q588-Q590 PolarHBondContact O-N 3.15Å; Q590-R593 CarbonylContact O-C 3.6Å; Q590-R593 PolarHBondContact O-N 2.95Å; Q590-Q594 PolarHBondContact O-N 3.41Å; Q590-Q594 PolarHBondContact O-NE2 3.33Å
591A64.9Low61.6Low66 Ų66120.4 Ų120.455%0.54560%0.601SS.*Hα-helixtrans-63.9-4117400000111.8Q587 Q588 R593 Q594Q587-A591 PolarHBondContact O-N 2.93Å; Q588-A591 PolarHBondContact O-N 2.82Å; A591-R593 PolarHBondContact O-N 3.49Å; A591-Q594 WeakPolarHBondContact O-CG 3.44Å; A591-Q594 PolarHBondContact O-N 2.85Å
592I63.6Low60.3Low126 Ų126123.8 Ų123.865%0.64662%0.619SS**Hα-helixtrans-70.9-20.1175.8-64.6163000112.2Q588Q588-I592 HydrophobicContact CG-CD1 4.24Å; Q588-I592 WeakPolarHBondContact O-CD1 3.48Å; Q588-I592 VanDerWaalsContact O-CG1 3.31Å; Q588-I592 WeakPolarHBondContact O-CG1 3.4Å; Q588-I592 PolarHBondContact O-N 3.16Å
593R60.1Low58.9Low193 Ų193124.7 Ų124.773%0.72863%0.628SS**THydrogen-bonded Turntrans-96.38.3178.7-76.8177.7173-159.3-1.5114.7L589 Q590 A591L589-R593 WeakPolarHBondContact O-CB 3.35Å; L589-R593 WeakPolarHBondContact O-CG 3.18Å; L589-R593 PolarHBondContact O-N 3.39Å; Q590-R593 CarbonylContact O-C 3.6Å; Q590-R593 PolarHBondContact O-N 2.95Å; A591-R593 PolarHBondContact O-N 3.49Å
594Q54.3Low57.7Low127 Ų127123.3 Ų123.359%0.59363%0.629SS**SBendtrans-63.2135169.5-63.2-52.3-64.200109.6Q590 A591 W596Q590-Q594 PolarHBondContact O-N 3.41Å; Q590-Q594 PolarHBondContact O-NE2 3.33Å; A591-Q594 WeakPolarHBondContact O-CG 3.44Å; A591-Q594 PolarHBondContact O-N 2.85Å; Q594-W596 PolarHBondContact O-N 3.28Å
595P50.3Low55.9Low113 Ų113125.4 Ų125.473%0.73464%0.644SS**  trans-56.8135.4171.3-23.434000110.1H597P595-H597 PolarHBondContact O-N 2.83Å
596W43.3Very low53.8Low245 Ų245130.8 Ų130.893%0.92867%0.673SS**  trans-62.6108.2171.9-67.793.1000108.5Q594 I598Q594-W596 PolarHBondContact O-N 3.28Å; W596-I598 PolarHBondContact O-N 2.91Å
597H43.6Very low52Low179 Ų179132.3 Ų132.383%0.82969%0.686SS**  trans-71.3102.8175.1-147.7-59.6000107.9P595P595-H597 PolarHBondContact O-N 2.83Å
598I42Very low50Low135 Ų135133.8 Ų133.869%0.69269%0.693SS**  trans-59.3132.3172.1-54.8176.9000106.9W596 S600W596-I598 PolarHBondContact O-N 2.91Å; I598-S600 PolarHBondContact O-N 3.41Å
599P40.4Very low48.5Very low102 Ų102133 Ų13366%0.66270%0.698SS**  trans-63.5123.7167.4-1932.3000108.9D601P599-D601 PolarHBondContact O-N 3.38Å
600S35.8Very low46.9Very low88 Ų88136 Ų13662%0.61572%0.721SS**  trans-75.177.9174.4-56.90000110I598 T602I598-S600 PolarHBondContact O-N 3.41Å; S600-T602 PolarHBondContact O-N 2.86Å
601D46.3Very low45.2Very low160 Ų160139.1 Ų139.186%0.85674%0.735SS**  trans-72.259.6169.3-85.5-18.7000110.4P599P599-D601 PolarHBondContact O-N 3.38Å
602T46.5Very low43.7Very low125 Ų125144.9 Ų144.977%0.76775%0.751SS**  trans-140.741.9173.3610000110.3S600S600-T602 PolarHBondContact O-N 2.86Å
603D40.5Very low42.2Very low142 Ų142146.3 Ų146.376%0.75976%0.76SS**SBendtrans-134.1106.9171.1-106.7-45.1000111
604S47.3Very low41Very low102 Ų102145.7 Ų145.771%0.71376%0.763SS**  trans55.187.4151.6-54.70000119.2
605D40.2Very low39.9Very low150 Ų150145.7 Ų145.780%0.80278%0.777SS**  trans-13451142.7-143.5-10.9000111.2M607D605-M607 PolarHBondContact O-N 3.02Å; D605-M607 WeakPolarHBondContact OD1-CG 3.03Å
606I38.1Very low38.9Very low158 Ų158145.9 Ų145.981%0.8178%0.781SS**  trans-7680.1165.8-175.6167.1000108.3E608I606-E608 VanDerWaalsContact C-N 3.27Å; I606-E608 PolarHBondContact O-N 3.22Å
607M37.9Very low38.5Very low151 Ų151139.4 Ų139.474%0.74477%0.773SS**  trans-66.587.5173.8-87.8-132.567.700110.8D605D605-M607 PolarHBondContact O-N 3.02Å; D605-M607 WeakPolarHBondContact OD1-CG 3.03Å
608E35.7Very low38Very low158 Ų158141.9 Ų141.974%0.73878%0.775SS**PPolyproline II helixtrans-52.6123.4165.6-166.4173.6141.300109.3I606I606-E608 VanDerWaalsContact C-N 3.27Å; I606-E608 PolarHBondContact O-N 3.22Å
609P41.9Very low37.6Very low103 Ų103142.4 Ų142.467%0.66978%0.779SS**PPolyproline II helixtrans-68.2135.8-176.527.5-33.8000109.9E611P609-E611 PolarHBondContact O-N 2.84Å; P609-E611 VanDerWaalsContact O-N 3.15Å
610P40.5Very low37.3Very low120 Ų120141.2 Ų141.278%0.77978%0.778SS**PPolyproline II helixtrans-66.1117.6-171.825.6-34.4000111.5Q612P610-Q612 PolarHBondContact O-N 2.69Å
611E35Very low37.1Very low178 Ų178143.5 Ų143.583%0.83278%0.783SS**PPolyproline II helixtrans-61.9131.9174.9-64.5-146.6124.200111.1P609 D613P609-E611 PolarHBondContact O-N 2.84Å; P609-E611 VanDerWaalsContact O-N 3.15Å; E611-D613 VanDerWaalsContact C-N 3.27Å; E611-D613 PolarHBondContact O-N 3.35Å
612Q35.3Very low36.7Very low188 Ų188144.1 Ų144.188%0.87978%0.778SS**  trans-7580.9171.2-74.7-168.4-28.500110.1P610 K614P610-Q612 PolarHBondContact O-N 2.69Å; Q612-K614 PolarHBondContact O-N 2.65Å
613D30.4Very low36.4Very low156 Ų156149.1 Ų149.183%0.83478%0.783SS**  trans-64.4128.5-179.6-1634.1000111.2E611 S615E611-D613 VanDerWaalsContact C-N 3.27Å; E611-D613 PolarHBondContact O-N 3.35Å; D613-S615 PolarHBondContact O-N 3.49Å
614K34.9Very low36.2Very low180 Ų180147.2 Ų147.278%0.78378%0.781SS**  trans-86.897.6-168.6-73.8166.6-176.8158.20108.9Q612 S616Q612-K614 PolarHBondContact O-N 2.65Å; K614-S616 PolarHBondContact O-N 2.77Å
615S31.7Very low35.9Very low126 Ų126148.4 Ų148.488%0.88178%0.784SS**  trans-53.595.1-179.762.50000112.9D613D613-S615 PolarHBondContact O-N 3.49Å
616S28.8Very low35.7Very low117 Ų117150.4 Ų150.482%0.81879%0.785SS**  trans-12490.7174.272.70000111.4K614K614-S616 PolarHBondContact O-N 2.77Å
617S35.2Very low35.7Very low109 Ų109147.8 Ų147.876%0.76278%0.781SS**  trans-135107169.261.70000110.8
618R34.4Very low35.8Very low232 Ų232144 Ų14488%0.87578%0.78SS**  trans24.1133.1134.2-60.3-174.3-172.5161.22.2117.4
619D32.5Very low35.9Very low145 Ų145148.2 Ų148.278%0.77581%0.807SS**  cis-168.1-175.28.2-134.5-63.4000112.4
620A33.4Very low35.6Very low77 Ų77150.5 Ų150.564%0.63681%0.814SS**  trans67.679.6151.900000120.8
621N32.1Very low35.3Very low136 Ų136152.1 Ų152.173%0.72782%0.816SS**  47109.3105.6-175.719.6000119.8
622K37.4Very low35.3Very low173 Ų173150.7 Ų150.775%0.75282%0.815SS**  178.7146.3116-98.5158.1-165.81710116.1
623R41.3Very low35.3Very low230 Ų230148.5 Ų148.587%0.86881%0.811SS**  trans72.7125.9165.7-67.7168.4178.9171.1-1.4114.7
624S35.6Very low35.6Very low103 Ų103148 Ų14872%0.7281%0.81SS**  71.8126.769.1-157.80000110.9
625V40.6Very low35.7Very low127 Ų127145.9 Ų145.977%0.7781%0.812SS**  cis-147.4140.539.4-141.60000112.8
626F37Very low36Very low191 Ų191147.3 Ų147.384%0.83881%0.807SS**  trans24149.1136-147-100.7000123.2
627S37.7Very low36.5Very low103 Ų103149.6 Ų149.672%0.7281%0.806SS**  trans68.1143.3177.6-63.30000117.1
628G40.2Very low36.6Very low71 Ų71153 Ų15373%0.73281%0.809SS**  cis12290.6-9.400000114.8
629L37.4Very low36.8Very low248 Ų248145.8 Ų145.8100%1.29880%0.803SS**  trans-160.70151.5-109.5167.7000108.5

Retrieved 629 of 629 residues in 176 ms (Link to these results)