A0A096M0D7_POEFO Loading...

Retinoblastoma binding protein 8-like

AlphaFold DB , UniProt , Accession A0A096M0D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 609 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
1M71.7Confident89.6Confident195 Ų195117.6 Ų117.696%0.96159%0.588SS**  0-59.10-105.5-162.7-76.200112.1E3 I4 M5M1-E3 PolarHBondContact O-N 3.42Å; M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 2.68Å; M1-M5 PolarHBondContact O-N 3.48Å
2L80.8Confident90.2Very high134 Ų134115.3 Ų115.370%0.70258%0.578SS**Hα-helixtrans-52.8-47.3-177-67.9170.6000113.5I4 M5 E6L2-I4 VanDerWaalsContact C-N 3.26Å; L2-I4 PolarHBondContact O-N 2.71Å; L2-M5 HydrophobicContact CD2-CE 4.13Å; L2-M5 WeakPolarHBondContact O-CB 3.42Å; L2-M5 PolarHBondContact O-N 2.92Å; L2-E6 PolarHBondContact O-N 3.21Å
3E85.1Confident90.8Very high163 Ų163113.4 Ų113.476%0.76257%0.566SS**Hα-helixtrans-59.9-32.5177.5-60.6162.8126.700113.8M1 M5 E6 S7M1-E3 PolarHBondContact O-N 3.42Å; E3-M5 VanDerWaalsContact C-N 3.34Å; E3-E6 PolarHBondContact O-N 3.25Å; E3-S7 WeakPolarHBondContact O-CB 3.48Å; E3-S7 PolarHBondContact O-N 3.02Å; E3-S7 PolarHBondContact O-OG 3.3Å
4I89.5Confident91.3Very high121 Ų121113.3 Ų113.362%0.62156%0.56SS**Hα-helixtrans-71-35.1177.4-55.9172.9000109.9M1 L2 S7 F8M1-I4 WeakPolarHBondContact O-CB 3.45Å; M1-I4 PolarHBondContact O-N 2.68Å; L2-I4 VanDerWaalsContact C-N 3.26Å; L2-I4 PolarHBondContact O-N 2.71Å; I4-S7 WeakPolarHBondContact CA-OG 3.39Å; I4-S7 PolarHBondContact O-OG 3.48Å; I4-F8 WeakPolarHBondContact O-CB 3.4Å; I4-F8 PolarHBondContact O-N 3.14Å
5M89.9Confident91.7Very high104 Ų104113.3 Ų113.351%0.51256%0.562SS.*Hα-helixtrans-74.4-36.4175.5-171.4166.561.900111.9M1 L2 E3 F8 K9M1-M5 PolarHBondContact O-N 3.48Å; L2-M5 HydrophobicContact CD2-CE 4.13Å; L2-M5 WeakPolarHBondContact O-CB 3.42Å; L2-M5 PolarHBondContact O-N 2.92Å; E3-M5 VanDerWaalsContact C-N 3.34Å; M5-F8 PolarHBondContact O-N 3.48Å; M5-K9 WeakPolarHBondContact O-CG 3.23Å; M5-K9 PolarHBondContact O-N 3.03Å; M5-K9 VanDerWaalsContact O-N 3.14Å
6E91.1Very high92.1Very high92 Ų92113.4 Ų113.443%0.4356%0.561SS.*Hα-helixtrans-71.1-46.4177.4-140.162.3-150.800111.7L2 E3 F8 K9 D10L2-E6 PolarHBondContact O-N 3.21Å; E3-E6 PolarHBondContact O-N 3.25Å; E6-F8 PolarHBondContact O-N 3.23Å; E6-K9 WeakPolarHBondContact O-CB 3.44Å; E6-K9 PolarHBondContact O-N 3.22Å; E6-K9 VanDerWaalsContact OE1-CD 3.25Å; E6-K9 WeakPolarHBondContact OE1-CD 3.18Å; E6-K9 IonicContact OE1-NZ 2.71Å; E6-K9 PolarHBondContact OE1-NZ 2.95Å; E6-K9 IonicContact OE2-NZ 2.68Å; E6-K9 PolarHBondContact OE2-NZ 3.19Å; E6-D10 WeakPolarHBondContact O-CB 3.25Å; E6-D10 PolarHBondContact O-N 3.32Å
7S93.1Very high92.5Very high70 Ų70110.6 Ų110.649%0.4955%0.546SS..Hα-helixtrans-60.4-28.9174.1520000113.3E3 I4 D10 L11E3-S7 WeakPolarHBondContact O-CB 3.48Å; E3-S7 PolarHBondContact O-N 3.02Å; E3-S7 PolarHBondContact O-OG 3.3Å; I4-S7 WeakPolarHBondContact CA-OG 3.39Å; I4-S7 PolarHBondContact O-OG 3.48Å; S7-D10 WeakPolarHBondContact O-CB 3.37Å; S7-L11 PolarHBondContact O-N 2.83Å; S7-L11 VanDerWaalsContact O-N 3.14Å
8F95.8Very high92.8Very high123 Ų123106.3 Ų106.354%0.53953%0.531SS..Hα-helixtrans-70.8-42.1171179.3-107.1000113.1I4 M5 E6 L11 L12I4-F8 WeakPolarHBondContact O-CB 3.4Å; I4-F8 PolarHBondContact O-N 3.14Å; M5-F8 PolarHBondContact O-N 3.48Å; E6-F8 PolarHBondContact O-N 3.23Å; F8-L11 PolarHBondContact O-N 3.08Å; F8-L12 HydrophobicContact CD1-CD1 4.13Å; F8-L12 HydrophobicContact CE1-CD1 3.57Å; F8-L12 HydrophobicContact CE1-CG 4.3Å; F8-L12 HydrophobicContact CZ-CD1 3.84Å; F8-L12 HydrophobicContact CZ-CD2 4.39Å; F8-L12 HydrophobicContact CZ-CG 4.21Å; F8-L12 PolarHBondContact O-N 3.28Å; F8-L12 VanDerWaalsContact O-N 3.1Å
9K95.7Very high93.1Very high100 Ų100107.1 Ų107.144%0.43553%0.532SS..Hα-helixtrans-60.2-46.4171.7-67.4166.8179.4167.80111.1M5 E6 L11 L12 Q13M5-K9 WeakPolarHBondContact O-CG 3.23Å; M5-K9 PolarHBondContact O-N 3.03Å; M5-K9 VanDerWaalsContact O-N 3.14Å; E6-K9 WeakPolarHBondContact O-CB 3.44Å; E6-K9 PolarHBondContact O-N 3.22Å; E6-K9 VanDerWaalsContact OE1-CD 3.25Å; E6-K9 WeakPolarHBondContact OE1-CD 3.18Å; E6-K9 IonicContact OE1-NZ 2.71Å; E6-K9 PolarHBondContact OE1-NZ 2.95Å; E6-K9 IonicContact OE2-NZ 2.68Å; E6-K9 PolarHBondContact OE2-NZ 3.19Å; K9-L11 PolarHBondContact O-N 3.1Å; K9-L12 PolarHBondContact O-N 3.31Å; K9-L12 VanDerWaalsContact O-N 3.08Å; K9-Q13 WeakPolarHBondContact O-CB 3.44Å; K9-Q13 PolarHBondContact O-N 2.91Å
10D96Very high93.3Very high78 Ų78107 Ų10742%0.41753%0.53SS..Hα-helixtrans-53.1-41.7176.6-107.234.9000112.2E6 S7 K14E6-D10 WeakPolarHBondContact O-CB 3.25Å; E6-D10 PolarHBondContact O-N 3.32Å; S7-D10 WeakPolarHBondContact O-CB 3.37Å; D10-K14 WeakPolarHBondContact O-CB 3.37Å; D10-K14 VanDerWaalsContact O-CD 3.23Å; D10-K14 WeakPolarHBondContact O-CD 3.5Å; D10-K14 WeakPolarHBondContact O-CG 3.44Å; D10-K14 PolarHBondContact O-N 2.87Å; D10-K14 IonicContact OD2-NZ 3.95Å; D10-K14 PolarHBondContact OD2-NZ 3.3Å
11L96.8Very high93.6Very high114 Ų114107.8 Ų107.860%0.59753%0.527SS*.Hα-helixtrans-68.9-41.8177.4-17861.5000111.9S7 F8 K9 L15S7-L11 PolarHBondContact O-N 2.83Å; S7-L11 VanDerWaalsContact O-N 3.14Å; F8-L11 PolarHBondContact O-N 3.08Å; K9-L11 PolarHBondContact O-N 3.1Å; L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 2.69Å
12L97.2Very high94.9Very high89 Ų89104.5 Ų104.547%0.46651%0.51SS..Hα-helixtrans-64.5-42.4175-69.4176.8000112.1F8 K9 L15 Q16F8-L12 HydrophobicContact CD1-CD1 4.13Å; F8-L12 HydrophobicContact CE1-CD1 3.57Å; F8-L12 HydrophobicContact CE1-CG 4.3Å; F8-L12 HydrophobicContact CZ-CD1 3.84Å; F8-L12 HydrophobicContact CZ-CD2 4.39Å; F8-L12 HydrophobicContact CZ-CG 4.21Å; F8-L12 PolarHBondContact O-N 3.28Å; F8-L12 VanDerWaalsContact O-N 3.1Å; K9-L12 PolarHBondContact O-N 3.31Å; K9-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.14Å; L12-Q16 PolarHBondContact O-N 3Å
13Q97.6Very high95.7Very high91 Ų91100.4 Ų100.443%0.42549%0.49SS..Hα-helixtrans-61.8-48.7176.4178.159.23400111K9 L15 Q16 E17K9-Q13 WeakPolarHBondContact O-CB 3.44Å; K9-Q13 PolarHBondContact O-N 2.91Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; Q13-L15 PolarHBondContact O-N 3.06Å; Q13-Q16 PolarHBondContact O-N 3.23Å; Q13-E17 PolarHBondContact NE2-OE1 2.86Å; Q13-E17 WeakPolarHBondContact O-CG 3.35Å; Q13-E17 PolarHBondContact O-N 2.93Å
14K97.8Very high96.3Very high112 Ų11298 Ų9849%0.48748%0.479SS..Hα-helixtrans-61.4-34.6176.5-71.9159.9-164.1155.60112.4D10 A18D10-K14 WeakPolarHBondContact O-CB 3.37Å; D10-K14 VanDerWaalsContact O-CD 3.23Å; D10-K14 WeakPolarHBondContact O-CD 3.5Å; D10-K14 WeakPolarHBondContact O-CG 3.44Å; D10-K14 PolarHBondContact O-N 2.87Å; D10-K14 IonicContact OD2-NZ 3.95Å; D10-K14 PolarHBondContact OD2-NZ 3.3Å; K14-A18 VanDerWaalsContact O-CB 3.29Å; K14-A18 WeakPolarHBondContact O-CB 3.29Å; K14-A18 PolarHBondContact O-N 3.19Å
15L98.1Very high96.8Very high113 Ų11397.2 Ų97.259%0.59248%0.479SS*.Hα-helixtrans-69.8-43.3174.3179.162.5000112.2L11 L12 Q13 A18 H19L11-L15 WeakPolarHBondContact O-CB 3.5Å; L11-L15 PolarHBondContact O-N 2.69Å; L12-L15 PolarHBondContact O-N 3.14Å; Q13-L15 VanDerWaalsContact C-N 3.27Å; Q13-L15 PolarHBondContact O-N 3.06Å; L15-A18 PolarHBondContact O-N 3.42Å; L15-H19 WeakPolarHBondContact O-CB 3.41Å; L15-H19 PolarHBondContact O-N 2.85Å
16Q97.9Very high97.2Very high115 Ų11597.7 Ų97.754%0.53748%0.483SS..Hα-helixtrans-58.9-50.9174.9177.1178.2-34.100110.7L12 Q13 A18 H19 E20L12-Q16 PolarHBondContact O-N 3Å; Q13-Q16 PolarHBondContact O-N 3.23Å; Q16-A18 VanDerWaalsContact C-N 3.31Å; Q16-A18 PolarHBondContact O-N 2.88Å; Q16-H19 PolarHBondContact O-N 3.29Å; Q16-E20 WeakPolarHBondContact O-CB 3.43Å; Q16-E20 PolarHBondContact O-N 2.99Å
17E98.1Very high97.5Very high66 Ų6699.4 Ų99.431%0.30849%0.492SS..Hα-helixtrans-64.7-33.8178.9-65.2171-159.200113.1Q13 R21Q13-E17 PolarHBondContact NE2-OE1 2.86Å; Q13-E17 WeakPolarHBondContact O-CG 3.35Å; Q13-E17 PolarHBondContact O-N 2.93Å; E17-R21 WeakPolarHBondContact O-CB 3.3Å; E17-R21 VanDerWaalsContact O-CG 3.26Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å; E17-R21 PolarHBondContact O-NE 2.77Å; E17-R21 VanDerWaalsContact O-NE 3.17Å; E17-R21 IonicContact OE2-CZ 2.77Å; E17-R21 IonicContact OE2-NH1 3.83Å; E17-R21 PolarHBondContact OE2-NH1 2.98Å; E17-R21 IonicContact OE2-NH2 3.89Å
18A98.1Very high97.8Very high34 Ų34100.7 Ų100.728%0.28150%0.496SS..Hα-helixtrans-64.4-45.7174.800000110.7K14 L15 Q16 E22K14-A18 VanDerWaalsContact O-CB 3.29Å; K14-A18 WeakPolarHBondContact O-CB 3.29Å; K14-A18 PolarHBondContact O-N 3.19Å; L15-A18 PolarHBondContact O-N 3.42Å; Q16-A18 VanDerWaalsContact C-N 3.31Å; Q16-A18 PolarHBondContact O-N 2.88Å; A18-E22 WeakPolarHBondContact O-CG 3.26Å; A18-E22 PolarHBondContact O-N 3.17Å
19H98.4Very high97.9Very high120 Ų12099.3 Ų99.356%0.55649%0.49SS*.Hα-helixtrans-62.6-43.3175-178.357.1000112.3L15 Q16 E22 V23L15-H19 WeakPolarHBondContact O-CB 3.41Å; L15-H19 PolarHBondContact O-N 2.85Å; Q16-H19 PolarHBondContact O-N 3.29Å; H19-E22 PolarHBondContact O-N 2.87Å; H19-V23 WeakPolarHBondContact O-CB 3.39Å; H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.42Å; H19-V23 PolarHBondContact O-N 3.22Å
20E98.3Very high98.1Very high105 Ų10599.3 Ų99.349%0.49150%0.498SS..Hα-helixtrans-61.9-47.6178.6-170160.2-14900111.4Q16 E22 V23 E24Q16-E20 WeakPolarHBondContact O-CB 3.43Å; Q16-E20 PolarHBondContact O-N 2.99Å; E20-E22 PolarHBondContact O-N 3.39Å; E20-V23 PolarHBondContact O-N 3.34Å; E20-E24 WeakPolarHBondContact O-CG 3.4Å; E20-E24 PolarHBondContact O-N 3.03Å
21R98.4Very high98.2Very high124 Ų124102.8 Ų102.847%0.46851%0.51SS..Hα-helixtrans-60.2-40.6173.9-72.1178.7-66.2-110.7-1.7112.9E17 V25E17-R21 WeakPolarHBondContact O-CB 3.3Å; E17-R21 VanDerWaalsContact O-CG 3.26Å; E17-R21 WeakPolarHBondContact O-CG 3.35Å; E17-R21 PolarHBondContact O-N 2.99Å; E17-R21 PolarHBondContact O-NE 2.77Å; E17-R21 VanDerWaalsContact O-NE 3.17Å; E17-R21 IonicContact OE2-CZ 2.77Å; E17-R21 IonicContact OE2-NH1 3.83Å; E17-R21 PolarHBondContact OE2-NH1 2.98Å; E17-R21 IonicContact OE2-NH2 3.89Å; R21-V25 VanDerWaalsContact O-CG2 3.31Å; R21-V25 WeakPolarHBondContact O-CG2 3.47Å; R21-V25 PolarHBondContact O-N 2.97Å
22E98.4Very high98.3Very high127 Ų127102 Ų10259%0.59350%0.503SS*.Hα-helixtrans-65.6-41175.1-76.8-179.3-17500112A18 H19 E20 V25 L26A18-E22 WeakPolarHBondContact O-CG 3.26Å; A18-E22 PolarHBondContact O-N 3.17Å; H19-E22 PolarHBondContact O-N 2.87Å; E20-E22 PolarHBondContact O-N 3.39Å; E22-V25 PolarHBondContact O-N 3.03Å; E22-L26 WeakPolarHBondContact O-CB 3.44Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.29Å; E22-L26 PolarHBondContact O-N 3.29Å
23V98.6Very high98.3Very high48 Ų48102.5 Ų102.529%0.29151%0.506SS..Hα-helixtrans-64-43.2175.91660000111.3H19 E20 L26 Q27H19-V23 WeakPolarHBondContact O-CB 3.39Å; H19-V23 VanDerWaalsContact O-CG2 3.29Å; H19-V23 WeakPolarHBondContact O-CG2 3.42Å; H19-V23 PolarHBondContact O-N 3.22Å; E20-V23 PolarHBondContact O-N 3.34Å; V23-L26 PolarHBondContact O-N 3.39Å; V23-Q27 HydrophobicContact CG1-CG 4.43Å; V23-Q27 VanDerWaalsContact CG1-NE2 3.34Å; V23-Q27 WeakPolarHBondContact O-CB 3.28Å; V23-Q27 VanDerWaalsContact O-CG 3.3Å; V23-Q27 WeakPolarHBondContact O-CG 3.37Å; V23-Q27 PolarHBondContact O-N 3.23Å
24E98.4Very high98.4Very high113 Ų113101.8 Ų101.853%0.52851%0.51SS..Hα-helixtrans-58.8-48.7173.4-73.4-176143.600111.9E20 L26 Q27 V28E20-E24 WeakPolarHBondContact O-CG 3.4Å; E20-E24 PolarHBondContact O-N 3.03Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.44Å; E24-Q27 PolarHBondContact O-N 2.86Å; E24-V28 WeakPolarHBondContact O-CG2 3.31Å; E24-V28 PolarHBondContact O-N 2.93Å
25V98.4Very high98.4Very high103 Ų103101.2 Ų101.262%0.62451%0.513SS*.Hα-helixtrans-60-41.9178168.20000111.2R21 E22 K29R21-V25 VanDerWaalsContact O-CG2 3.31Å; R21-V25 WeakPolarHBondContact O-CG2 3.47Å; R21-V25 PolarHBondContact O-N 2.97Å; E22-V25 PolarHBondContact O-N 3.03Å; V25-K29 WeakPolarHBondContact O-CB 3.34Å; V25-K29 PolarHBondContact O-N 3.39Å
26L98.6Very high98.4Very high114 Ų114101.1 Ų101.160%0.59751%0.508SS*.Hα-helixtrans-66.9-42175.8-71.9171.2000112.2E22 V23 E24 K29 V30E22-L26 WeakPolarHBondContact O-CB 3.44Å; E22-L26 VanDerWaalsContact O-CG 3.28Å; E22-L26 WeakPolarHBondContact O-CG 3.29Å; E22-L26 PolarHBondContact O-N 3.29Å; V23-L26 PolarHBondContact O-N 3.39Å; E24-L26 VanDerWaalsContact C-N 3.32Å; E24-L26 PolarHBondContact O-N 3.44Å; L26-K29 PolarHBondContact O-N 2.86Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 3.22Å
27Q98.6Very high98.5Very high129 Ų129103 Ų10360%0.60351%0.514SS*.Hα-helixtrans-61.2-45.8175.1-74.8-178.435.600111.8V23 E24 K29 V30 K31V23-Q27 HydrophobicContact CG1-CG 4.43Å; V23-Q27 VanDerWaalsContact CG1-NE2 3.34Å; V23-Q27 WeakPolarHBondContact O-CB 3.28Å; V23-Q27 VanDerWaalsContact O-CG 3.3Å; V23-Q27 WeakPolarHBondContact O-CG 3.37Å; V23-Q27 PolarHBondContact O-N 3.23Å; E24-Q27 PolarHBondContact O-N 2.86Å; Q27-K29 VanDerWaalsContact C-N 3.31Å; Q27-K29 PolarHBondContact O-N 3.34Å; Q27-V30 PolarHBondContact O-N 3.4Å; Q27-K31 WeakPolarHBondContact O-CB 3.44Å; Q27-K31 PolarHBondContact O-N 2.89Å
28V98.6Very high98.5Very high97 Ų97101.4 Ų101.459%0.58852%0.515SS*.Hα-helixtrans-59.1-43.7174.4170.80000110.4E24 K31 E32E24-V28 WeakPolarHBondContact O-CG2 3.31Å; E24-V28 PolarHBondContact O-N 2.93Å; V28-K31 PolarHBondContact O-N 3.05Å; V28-E32 WeakPolarHBondContact O-CB 3.41Å; V28-E32 PolarHBondContact O-N 3.44Å
29K98.7Very high98.5Very high93 Ų93103.6 Ų103.640%0.40453%0.528SS..Hα-helixtrans-69.4-37.8-179.6-164.751.1160.3-177.60113.2V25 L26 Q27 K31 E32 L33V25-K29 WeakPolarHBondContact O-CB 3.34Å; V25-K29 PolarHBondContact O-N 3.39Å; L26-K29 PolarHBondContact O-N 2.86Å; Q27-K29 VanDerWaalsContact C-N 3.31Å; Q27-K29 PolarHBondContact O-N 3.34Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K29-E32 HydrophobicContact CD-CB 4.42Å; K29-E32 WeakPolarHBondContact CD-OE2 3.39Å; K29-E32 IonicContact NZ-OE1 2.83Å; K29-E32 PolarHBondContact NZ-OE1 2.98Å; K29-E32 IonicContact NZ-OE2 3.08Å; K29-E32 PolarHBondContact NZ-OE2 3.37Å; K29-E32 PolarHBondContact O-N 3.01Å; K29-L33 HydrophobicContact CD-CG 4.45Å; K29-L33 HydrophobicContact CG-CD1 4.21Å; K29-L33 WeakPolarHBondContact O-CB 3.25Å; K29-L33 VanDerWaalsContact O-CG 3.26Å; K29-L33 WeakPolarHBondContact O-CG 3.26Å; K29-L33 PolarHBondContact O-N 3.47Å
30V98.7Very high98.5Very high101 Ų101100.8 Ų100.861%0.61252%0.517SS*.Hα-helixtrans-62.2-41.8172.1168.80000110.8L26 Q27 L33 S34L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 3.22Å; Q27-V30 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 2.96Å; V30-S34 VanDerWaalsContact O-CB 3.25Å; V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 3.45Å
31K98.5Very high98.5Very high150 Ų15099.6 Ų99.665%0.65252%0.517SS*.Hα-helixtrans-64.7-43.3176.1-171174.9-177.8176.30112.2Q27 V28 K29 S34 N35Q27-K31 WeakPolarHBondContact O-CB 3.44Å; Q27-K31 PolarHBondContact O-N 2.89Å; V28-K31 PolarHBondContact O-N 3.05Å; K29-K31 VanDerWaalsContact C-N 3.33Å; K31-S34 PolarHBondContact O-N 2.88Å; K31-N35 WeakPolarHBondContact O-CB 3.48Å; K31-N35 VanDerWaalsContact O-CG 3.24Å; K31-N35 PolarHBondContact O-N 3.01Å; K31-N35 PolarHBondContact O-ND2 2.89Å
32E98.5Very high98.5Very high98 Ų98100.3 Ų100.346%0.45852%0.523SS..Hα-helixtrans-59.8-49.9174.6-170.6-152.7123.400111.6V28 K29 S34 N35 K36V28-E32 WeakPolarHBondContact O-CB 3.41Å; V28-E32 PolarHBondContact O-N 3.44Å; K29-E32 HydrophobicContact CD-CB 4.42Å; K29-E32 WeakPolarHBondContact CD-OE2 3.39Å; K29-E32 IonicContact NZ-OE1 2.83Å; K29-E32 PolarHBondContact NZ-OE1 2.98Å; K29-E32 IonicContact NZ-OE2 3.08Å; K29-E32 PolarHBondContact NZ-OE2 3.37Å; K29-E32 PolarHBondContact O-N 3.01Å; E32-S34 PolarHBondContact O-N 3.48Å; E32-N35 PolarHBondContact O-N 3.49Å; E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 PolarHBondContact O-N 3.35Å
33L98.6Very high98.5Very high100 Ų100101.9 Ų101.952%0.52452%0.524SS..Hα-helixtrans-65.6-37.1179.3-70172.2000112.3K29 V30 K36 K37K29-L33 HydrophobicContact CD-CG 4.45Å; K29-L33 HydrophobicContact CG-CD1 4.21Å; K29-L33 WeakPolarHBondContact O-CB 3.25Å; K29-L33 VanDerWaalsContact O-CG 3.26Å; K29-L33 WeakPolarHBondContact O-CG 3.26Å; K29-L33 PolarHBondContact O-N 3.47Å; V30-L33 PolarHBondContact O-N 2.96Å; L33-K36 PolarHBondContact O-N 3.48Å; L33-K37 WeakPolarHBondContact O-CB 3.46Å; L33-K37 PolarHBondContact O-N 2.95Å
34S98.5Very high98.5Very high75 Ų75105.1 Ų105.152%0.52454%0.537SS..Hα-helixtrans-63.9-47174.4-171.40000111.7V30 K31 E32 K36 K37 G38V30-S34 VanDerWaalsContact O-CB 3.25Å; V30-S34 WeakPolarHBondContact O-CB 3.21Å; V30-S34 PolarHBondContact O-N 3.45Å; K31-S34 PolarHBondContact O-N 2.88Å; E32-S34 PolarHBondContact O-N 3.48Å; S34-K36 PolarHBondContact O-N 2.93Å; S34-K37 PolarHBondContact O-N 3.4Å; S34-G38 PolarHBondContact O-N 3.44Å
35N98.6Very high98.5Very high101 Ų101105.6 Ų105.654%0.5454%0.54SS..Hα-helixtrans-60-45.6174.7-72.8-14000111.5K31 E32 G38 C39K31-N35 WeakPolarHBondContact O-CB 3.48Å; K31-N35 VanDerWaalsContact O-CG 3.24Å; K31-N35 PolarHBondContact O-N 3.01Å; K31-N35 PolarHBondContact O-ND2 2.89Å; E32-N35 PolarHBondContact O-N 3.49Å; N35-G38 PolarHBondContact O-N 3.13Å; N35-C39 PolarHBondContact O-N 2.9Å; N35-C39 PolarHBondContact O-SG 2.68Å
36K98.4Very high98.6Very high111 Ų111106.8 Ų106.848%0.48354%0.538SS..Hα-helixtrans-61.4-46.4178.1178.351.6175.71460111.7E32 L33 S34 G38 C39 D40E32-K36 WeakPolarHBondContact O-CB 3.45Å; E32-K36 PolarHBondContact O-N 3.35Å; L33-K36 PolarHBondContact O-N 3.48Å; S34-K36 PolarHBondContact O-N 2.93Å; K36-G38 VanDerWaalsContact C-N 3.31Å; K36-G38 PolarHBondContact O-N 3.38Å; K36-C39 PolarHBondContact O-N 3.13Å; K36-D40 WeakPolarHBondContact CD-OD2 3.32Å; K36-D40 WeakPolarHBondContact CE-OD2 3.43Å; K36-D40 IonicContact NZ-OD1 2.8Å; K36-D40 PolarHBondContact NZ-OD1 3Å; K36-D40 IonicContact NZ-OD2 2.69Å; K36-D40 PolarHBondContact NZ-OD2 3.48Å; K36-D40 PolarHBondContact O-N 3.47Å
37K98.5Very high98.6Very high153 Ų153106 Ų10667%0.66553%0.534SS*.Hα-helixtrans-55.1-46172.8-179.7-176.9176-176.10111.3L33 S34 C39 D40 T41L33-K37 WeakPolarHBondContact O-CB 3.46Å; L33-K37 PolarHBondContact O-N 2.95Å; S34-K37 PolarHBondContact O-N 3.4Å; K37-C39 PolarHBondContact O-N 3.12Å; K37-D40 PolarHBondContact O-N 3.4Å; K37-T41 PolarHBondContact O-N 2.88Å; K37-T41 PolarHBondContact O-OG1 3.46Å; K37-T41 VanDerWaalsContact O-OG1 3.04Å
38G98.4Very high98.6Very high33 Ų33106.5 Ų106.534%0.3454%0.535SS..Hα-helixtrans-59.8-42.7177.200000113.5S34 N35 K36 T41 K42S34-G38 PolarHBondContact O-N 3.44Å; N35-G38 PolarHBondContact O-N 3.13Å; K36-G38 VanDerWaalsContact C-N 3.31Å; K36-G38 PolarHBondContact O-N 3.38Å; G38-T41 PolarHBondContact O-N 3.04Å; G38-K42 WeakPolarHBondContact O-CG 3.41Å; G38-K42 PolarHBondContact O-N 2.88Å; G38-K42 VanDerWaalsContact O-N 3.13Å
39C98.3Very high98.6Very high80 Ų80105.4 Ų105.454%0.54153%0.528SS..Hα-helixtrans-64.6-41.3174.3-67.60000112.5N35 K36 K37 K42 R43N35-C39 PolarHBondContact O-N 2.9Å; N35-C39 PolarHBondContact O-SG 2.68Å; K36-C39 PolarHBondContact O-N 3.13Å; K37-C39 PolarHBondContact O-N 3.12Å; C39-K42 PolarHBondContact O-N 3.44Å; C39-R43 WeakPolarHBondContact O-CB 3.47Å; C39-R43 PolarHBondContact O-N 3.01Å
40D98.5Very high98.6Very high62 Ų62109.2 Ų109.233%0.33254%0.54SS..Hα-helixtrans-71.1-31.6179-69.4-34.5000112.5K36 K37 M44K36-D40 WeakPolarHBondContact CD-OD2 3.32Å; K36-D40 WeakPolarHBondContact CE-OD2 3.43Å; K36-D40 IonicContact NZ-OD1 2.8Å; K36-D40 PolarHBondContact NZ-OD1 3Å; K36-D40 IonicContact NZ-OD2 2.69Å; K36-D40 PolarHBondContact NZ-OD2 3.48Å; K36-D40 PolarHBondContact O-N 3.47Å; K37-D40 PolarHBondContact O-N 3.4Å; D40-M44 WeakPolarHBondContact O-CB 3.44Å; D40-M44 PolarHBondContact O-N 2.96Å
41T98.6Very high98.6Very high80 Ų80107.4 Ų107.449%0.49153%0.527SS..Hα-helixtrans-63.1-47.5169.6-58.90000111.6K37 G38 R43 M44 E45K37-T41 PolarHBondContact O-N 2.88Å; K37-T41 PolarHBondContact O-OG1 3.46Å; K37-T41 VanDerWaalsContact O-OG1 3.04Å; G38-T41 PolarHBondContact O-N 3.04Å; T41-R43 PolarHBondContact O-N 3.4Å; T41-M44 WeakPolarHBondContact O-CB 3.49Å; T41-M44 PolarHBondContact O-N 3.21Å; T41-M44 VanDerWaalsContact O-N 3.13Å; T41-E45 PolarHBondContact O-N 3.24Å
42K98.6Very high98.6Very high138 Ų138105.8 Ų105.860%0.652%0.522SS*.Hα-helixtrans-59.7-46.5176.4-71.4178.6179-175.30112.1G38 C39 M44 E45 E46G38-K42 WeakPolarHBondContact O-CG 3.41Å; G38-K42 PolarHBondContact O-N 2.88Å; G38-K42 VanDerWaalsContact O-N 3.13Å; C39-K42 PolarHBondContact O-N 3.44Å; K42-M44 PolarHBondContact O-N 3.2Å; K42-E45 WeakPolarHBondContact O-CB 3.36Å; K42-E45 PolarHBondContact O-N 3.03Å; K42-E45 VanDerWaalsContact O-N 3.11Å; K42-E46 WeakPolarHBondContact O-CG 3.24Å; K42-E46 PolarHBondContact O-N 3.03Å
43R98.8Very high98.6Very high161 Ų161107.2 Ų107.261%0.60853%0.528SS*.Hα-helixtrans-59.3-33.5175.7-177.2175177.3-106-2.5112.5C39 T41 L47C39-R43 WeakPolarHBondContact O-CB 3.47Å; C39-R43 PolarHBondContact O-N 3.01Å; T41-R43 PolarHBondContact O-N 3.4Å; R43-L47 VanDerWaalsContact O-CG 3.29Å; R43-L47 WeakPolarHBondContact O-CG 3.42Å; R43-L47 PolarHBondContact O-N 3.05Å
44M98.6Very high98.6Very high115 Ų115108 Ų10857%0.56753%0.53SS*.Hα-helixtrans-71.6-40.6175.4-171.8178-69.100111.9D40 T41 K42 L47 F48D40-M44 WeakPolarHBondContact O-CB 3.44Å; D40-M44 PolarHBondContact O-N 2.96Å; T41-M44 WeakPolarHBondContact O-CB 3.49Å; T41-M44 PolarHBondContact O-N 3.21Å; T41-M44 VanDerWaalsContact O-N 3.13Å; K42-M44 PolarHBondContact O-N 3.2Å; M44-L47 PolarHBondContact O-N 2.69Å; M44-F48 HydrophobicContact CG-CD2 3.84Å; M44-F48 HydrophobicContact CG-CE2 3.57Å; M44-F48 VanDerWaalsContact O-CD2 3.24Å; M44-F48 WeakPolarHBondContact O-CD2 3.01Å; M44-F48 PolarHBondContact O-N 2.87Å; M44-F48 HydrophobicContact SD-CE2 4Å
45E98.6Very high98.6Very high124 Ų124109.7 Ų109.758%0.57953%0.528SS*.Hα-helixtrans-63.9-42175.4-173.4175.2-167.700112.5T41 K42 L47 F48 T49T41-E45 PolarHBondContact O-N 3.24Å; K42-E45 WeakPolarHBondContact O-CB 3.36Å; K42-E45 PolarHBondContact O-N 3.03Å; K42-E45 VanDerWaalsContact O-N 3.11Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.42Å; E45-F48 PolarHBondContact O-N 3.3Å; E45-T49 WeakPolarHBondContact O-CG2 3.25Å; E45-T49 PolarHBondContact O-N 3.48Å; E45-T49 PolarHBondContact O-OG1 2.94Å
46E98.7Very high98.6Very high127 Ų127108.2 Ų108.259%0.59352%0.518SS*.Hα-helixtrans-59.1-40.7171.7-72.1168.6-164.900112.3K42 T49 R50K42-E46 WeakPolarHBondContact O-CG 3.24Å; K42-E46 PolarHBondContact O-N 3.03Å; E46-T49 WeakPolarHBondContact CA-OG1 3.29Å; E46-T49 PolarHBondContact O-OG1 2.94Å; E46-T49 VanDerWaalsContact O-OG1 3.05Å; E46-R50 VanDerWaalsContact O-CB 3.25Å; E46-R50 WeakPolarHBondContact O-CB 3.4Å; E46-R50 PolarHBondContact O-N 3.44Å
47L98.6Very high98.7Very high97 Ų97109.1 Ų109.151%0.50852%0.524SS..Hα-helixtrans-70.5-39.3176.6-72.6170.7000112.2R43 M44 E45 N51R43-L47 VanDerWaalsContact O-CG 3.29Å; R43-L47 WeakPolarHBondContact O-CG 3.42Å; R43-L47 PolarHBondContact O-N 3.05Å; M44-L47 PolarHBondContact O-N 2.69Å; E45-L47 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.42Å; L47-N51 WeakPolarHBondContact O-CB 3.44Å; L47-N51 PolarHBondContact O-N 3.11Å
48F98.8Very high98.7Very high141 Ų141107.9 Ų107.962%0.61852%0.521SS*.Hα-helixtrans-65.2-46.4175.3-83.8-59.5000112.3M44 E45 N51 Q52M44-F48 HydrophobicContact CG-CD2 3.84Å; M44-F48 HydrophobicContact CG-CE2 3.57Å; M44-F48 VanDerWaalsContact O-CD2 3.24Å; M44-F48 WeakPolarHBondContact O-CD2 3.01Å; M44-F48 PolarHBondContact O-N 2.87Å; M44-F48 HydrophobicContact SD-CE2 4Å; E45-F48 PolarHBondContact O-N 3.3Å; F48-N51 PolarHBondContact O-N 3.27Å; F48-Q52 WeakPolarHBondContact O-CB 3.32Å; F48-Q52 PolarHBondContact O-N 2.81Å
49T98.8Very high98.7Very high73 Ų73111.9 Ų111.945%0.44853%0.526SS..Hα-helixtrans-63.2-43.7177.948.90000111.6E45 E46 N51 Q52 Q53E45-T49 WeakPolarHBondContact O-CG2 3.25Å; E45-T49 PolarHBondContact O-N 3.48Å; E45-T49 PolarHBondContact O-OG1 2.94Å; E46-T49 WeakPolarHBondContact CA-OG1 3.29Å; E46-T49 PolarHBondContact O-OG1 2.94Å; E46-T49 VanDerWaalsContact O-OG1 3.05Å; T49-N51 PolarHBondContact O-N 2.95Å; T49-Q52 PolarHBondContact O-N 2.91Å; T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 3.3Å
50R98.8Very high98.7Very high174 Ų174110.9 Ų110.966%0.65752%0.515SS*.Hα-helixtrans-63.5-38.3173.5-173.8175.7178.8178.9-0.7112.9E46 Q53 M54E46-R50 VanDerWaalsContact O-CB 3.25Å; E46-R50 WeakPolarHBondContact O-CB 3.4Å; E46-R50 PolarHBondContact O-N 3.44Å; R50-Q53 PolarHBondContact O-N 2.7Å; R50-M54 WeakPolarHBondContact O-CB 3.48Å; R50-M54 PolarHBondContact O-N 3.08Å
51N98.8Very high98.7Very high63 Ų63113.1 Ų113.134%0.33753%0.526SS..Hα-helixtrans-67.1-37.8176-173.7-98000111.9L47 F48 T49 M54 K55L47-N51 WeakPolarHBondContact O-CB 3.44Å; L47-N51 PolarHBondContact O-N 3.11Å; F48-N51 PolarHBondContact O-N 3.27Å; T49-N51 PolarHBondContact O-N 2.95Å; N51-M54 PolarHBondContact O-N 2.83Å; N51-K55 WeakPolarHBondContact O-CG 3.21Å; N51-K55 PolarHBondContact O-N 3.03Å; N51-K55 WeakPolarHBondContact OD1-CE 3.18Å; N51-K55 PolarHBondContact OD1-NZ 3.26Å
52Q98.8Very high98.7Very high116 Ų116113.4 Ų113.454%0.54253%0.528SS..Hα-helixtrans-68-40.4175-172.660.318.900112F48 T49 K55 E56F48-Q52 WeakPolarHBondContact O-CB 3.32Å; F48-Q52 PolarHBondContact O-N 2.81Å; T49-Q52 PolarHBondContact O-N 2.91Å; Q52-K55 PolarHBondContact O-N 3.23Å; Q52-E56 PolarHBondContact O-N 2.74Å
53Q98.8Very high98.7Very high128 Ų128111.4 Ų111.460%0.59852%0.521SS*.Hα-helixtrans-59.7-45.3171.6-72.7171.2-3.300111.7T49 R50 K55 E56 Q57T49-Q53 WeakPolarHBondContact O-CG 3.38Å; T49-Q53 PolarHBondContact O-N 3.3Å; R50-Q53 PolarHBondContact O-N 2.7Å; Q53-K55 PolarHBondContact O-N 3.36Å; Q53-E56 PolarHBondContact O-N 3.24Å; Q53-Q57 WeakPolarHBondContact O-CG 3.37Å; Q53-Q57 PolarHBondContact O-N 2.7Å
54M98.8Very high98.7Very high115 Ų115108.2 Ų108.257%0.56752%0.516SS*.Hα-helixtrans-58.4-45.5176.8-175.9-165.2-65.100112R50 N51 E56 Q57 Q58R50-M54 WeakPolarHBondContact O-CB 3.48Å; R50-M54 PolarHBondContact O-N 3.08Å; N51-M54 PolarHBondContact O-N 2.83Å; M54-E56 PolarHBondContact O-N 3.05Å; M54-Q57 PolarHBondContact O-N 3.47Å; M54-Q58 PolarHBondContact O-N 2.98Å
55K98.8Very high98.7Very high111 Ų111106.6 Ų106.648%0.48351%0.508SS..Hα-helixtrans-60-42.7176-76.5163.3170.9160.20112.2N51 Q52 Q53 Q58 R59N51-K55 WeakPolarHBondContact O-CG 3.21Å; N51-K55 PolarHBondContact O-N 3.03Å; N51-K55 WeakPolarHBondContact OD1-CE 3.18Å; N51-K55 PolarHBondContact OD1-NZ 3.26Å; Q52-K55 PolarHBondContact O-N 3.23Å; Q53-K55 PolarHBondContact O-N 3.36Å; K55-Q58 PolarHBondContact O-N 3.4Å; K55-R59 WeakPolarHBondContact O-CB 3.43Å; K55-R59 PolarHBondContact O-N 2.91Å
56E98.8Very high98.7Very high70 Ų70107 Ų10733%0.32751%0.508SS..Hα-helixtrans-70-38.7178.6-176.456.7-160.800112.2Q52 Q53 M54 Q58 R59 L60Q52-E56 PolarHBondContact O-N 2.74Å; Q53-E56 PolarHBondContact O-N 3.24Å; M54-E56 PolarHBondContact O-N 3.05Å; E56-Q58 VanDerWaalsContact C-N 3.33Å; E56-Q58 PolarHBondContact O-N 3.45Å; E56-R59 VanDerWaalsContact CD-NE 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.46Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.68Å; E56-R59 VanDerWaalsContact OE1-CZ 3.3Å; E56-R59 IonicContact OE1-NE 3.3Å; E56-R59 PolarHBondContact OE1-NE 3.04Å; E56-R59 VanDerWaalsContact OE1-NE 3.08Å; E56-R59 IonicContact OE1-NH2 2.7Å; E56-R59 PolarHBondContact OE1-NH2 2.9Å; E56-R59 WeakPolarHBondContact OE2-CD 3.48Å; E56-R59 IonicContact OE2-CZ 2.69Å; E56-R59 IonicContact OE2-NE 3.82Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 3.57Å; E56-L60 HydrophobicContact CG-CD1 4.17Å; E56-L60 WeakPolarHBondContact O-CB 3.48Å; E56-L60 WeakPolarHBondContact O-CG 3.34Å; E56-L60 PolarHBondContact O-N 3.38Å
57Q98.8Very high98.7Very high130 Ų130105 Ų10561%0.60751%0.505SS*.Hα-helixtrans-60.9-41.7171.3-69.4-60.2-70.500111.7Q53 M54 L60 L61Q53-Q57 WeakPolarHBondContact O-CG 3.37Å; Q53-Q57 PolarHBondContact O-N 2.7Å; M54-Q57 PolarHBondContact O-N 3.47Å; Q57-L60 PolarHBondContact O-N 2.97Å; Q57-L61 WeakPolarHBondContact O-CB 3.46Å; Q57-L61 PolarHBondContact O-N 2.93Å
58Q98.7Very high98.6Very high128 Ų128104.5 Ų104.560%0.59850%0.502SS*.Hα-helixtrans-64.6-42.6174.9-170.9175.46.500111.7M54 K55 E56 L61 T62M54-Q58 PolarHBondContact O-N 2.98Å; K55-Q58 PolarHBondContact O-N 3.4Å; E56-Q58 VanDerWaalsContact C-N 3.33Å; E56-Q58 PolarHBondContact O-N 3.45Å; Q58-L61 PolarHBondContact O-N 3.4Å; Q58-T62 PolarHBondContact O-N 2.94Å; Q58-T62 PolarHBondContact O-OG1 3.5Å; Q58-T62 VanDerWaalsContact O-OG1 3.12Å
59R98.8Very high98.5Very high116 Ų116101.7 Ų101.744%0.43849%0.491SS..Hα-helixtrans-58.1-50175.9-165.8-165.470.567.95.2111.4K55 E56 L61 T62 E63K55-R59 WeakPolarHBondContact O-CB 3.43Å; K55-R59 PolarHBondContact O-N 2.91Å; E56-R59 VanDerWaalsContact CD-NE 3.31Å; E56-R59 WeakPolarHBondContact O-CB 3.46Å; E56-R59 PolarHBondContact O-N 3.46Å; E56-R59 IonicContact OE1-CZ 2.68Å; E56-R59 VanDerWaalsContact OE1-CZ 3.3Å; E56-R59 IonicContact OE1-NE 3.3Å; E56-R59 PolarHBondContact OE1-NE 3.04Å; E56-R59 VanDerWaalsContact OE1-NE 3.08Å; E56-R59 IonicContact OE1-NH2 2.7Å; E56-R59 PolarHBondContact OE1-NH2 2.9Å; E56-R59 WeakPolarHBondContact OE2-CD 3.48Å; E56-R59 IonicContact OE2-CZ 2.69Å; E56-R59 IonicContact OE2-NE 3.82Å; E56-R59 PolarHBondContact OE2-NE 3.26Å; E56-R59 IonicContact OE2-NH2 3.57Å; R59-L61 PolarHBondContact O-N 2.81Å; R59-T62 PolarHBondContact O-N 3.37Å; R59-E63 IonicContact CZ-OE2 3.03Å; R59-E63 IonicContact NH1-OE2 3.23Å; R59-E63 PolarHBondContact NH1-OE2 2.97Å; R59-E63 IonicContact NH2-OE2 2.81Å; R59-E63 WeakPolarHBondContact O-CB 3.41Å; R59-E63 PolarHBondContact O-N 2.9Å
60L98.8Very high98.4Very high60 Ų60102 Ų10231%0.31449%0.49SS..Hα-helixtrans-63.4-38.7177.9-71.3168.1000112.1E56 Q57 E63 N64E56-L60 HydrophobicContact CG-CD1 4.17Å; E56-L60 WeakPolarHBondContact O-CB 3.48Å; E56-L60 WeakPolarHBondContact O-CG 3.34Å; E56-L60 PolarHBondContact O-N 3.38Å; Q57-L60 PolarHBondContact O-N 2.97Å; L60-E63 PolarHBondContact O-N 2.69Å; L60-N64 WeakPolarHBondContact O-CB 3.45Å; L60-N64 PolarHBondContact O-N 3.5Å; L60-N64 PolarHBondContact O-ND2 3.3Å
61L98.8Very high98.2Very high108 Ų108102.4 Ų102.457%0.56549%0.491SS*.Hα-helixtrans-63.9-46.3175.4179.659.6000111.5Q57 Q58 R59 E63 N64 I65Q57-L61 WeakPolarHBondContact O-CB 3.46Å; Q57-L61 PolarHBondContact O-N 2.93Å; Q58-L61 PolarHBondContact O-N 3.4Å; R59-L61 PolarHBondContact O-N 2.81Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 2.92Å; L61-N64 PolarHBondContact O-N 3.35Å; L61-I65 HydrophobicContact CD1-CD1 4.15Å; L61-I65 HydrophobicContact CD1-CG1 4.41Å; L61-I65 HydrophobicContact CG-CD1 4Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.5Å; L61-I65 PolarHBondContact O-N 3.26Å
62T98.8Very high97.9Very high86 Ų86106 Ų10653%0.52851%0.51SS..Hα-helixtrans-61.6-39.1175.5-58.60000112.1Q58 R59 I65 K66Q58-T62 PolarHBondContact O-N 2.94Å; Q58-T62 PolarHBondContact O-OG1 3.5Å; Q58-T62 VanDerWaalsContact O-OG1 3.12Å; R59-T62 PolarHBondContact O-N 3.37Å; T62-I65 PolarHBondContact O-N 2.89Å; T62-K66 WeakPolarHBondContact O-CB 3.38Å; T62-K66 PolarHBondContact O-N 3.46Å
63E98.6Very high97.8Very high97 Ų97108.1 Ų108.145%0.45351%0.513SS..Hα-helixtrans-65.8-41176.2-171.2172.8177.500112.4R59 L60 L61 T67R59-E63 IonicContact CZ-OE2 3.03Å; R59-E63 IonicContact NH1-OE2 3.23Å; R59-E63 PolarHBondContact NH1-OE2 2.97Å; R59-E63 IonicContact NH2-OE2 2.81Å; R59-E63 WeakPolarHBondContact O-CB 3.41Å; R59-E63 PolarHBondContact O-N 2.9Å; L60-E63 PolarHBondContact O-N 2.69Å; L61-E63 VanDerWaalsContact C-N 3.32Å; L61-E63 PolarHBondContact O-N 2.92Å; E63-T67 WeakPolarHBondContact O-CB 3.3Å; E63-T67 PolarHBondContact O-N 2.94Å; E63-T67 PolarHBondContact O-OG1 3.35Å
64N98.7Very high97.5Very high94 Ų94105.7 Ų105.750%0.50352%0.515SS..Hα-helixtrans-65-44.6173.8-84.5-83.2000112.2L60 L61 K66 T67 L68L60-N64 WeakPolarHBondContact O-CB 3.45Å; L60-N64 PolarHBondContact O-N 3.5Å; L60-N64 PolarHBondContact O-ND2 3.3Å; L61-N64 PolarHBondContact O-N 3.35Å; N64-K66 PolarHBondContact O-N 3.35Å; N64-T67 PolarHBondContact O-N 3.36Å; N64-L68 WeakPolarHBondContact O-CG 3.42Å; N64-L68 PolarHBondContact O-N 2.89Å
65I98.6Very high97.1Very high80 Ų80102.9 Ų102.941%0.4152%0.515SS..Hα-helixtrans-57.6-50.8175.7-69.9164.4000110.2L61 T62 T67 L68 E69L61-I65 HydrophobicContact CD1-CD1 4.15Å; L61-I65 HydrophobicContact CD1-CG1 4.41Å; L61-I65 HydrophobicContact CG-CD1 4Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.5Å; L61-I65 PolarHBondContact O-N 3.26Å; T62-I65 PolarHBondContact O-N 2.89Å; I65-T67 VanDerWaalsContact C-N 3.25Å; I65-T67 PolarHBondContact O-N 3.42Å; I65-L68 PolarHBondContact O-N 3.17Å; I65-E69 HydrophobicContact CG2-CG 4.42Å; I65-E69 WeakPolarHBondContact O-CG 3.31Å; I65-E69 PolarHBondContact O-N 2.78Å
66K98.6Very high96.8Very high134 Ų134102.2 Ų102.258%0.58352%0.517SS*.Hα-helixtrans-57.8-37.5177.3-174.6179.1-179.8-177.90112.5T62 N64 N70T62-K66 WeakPolarHBondContact O-CB 3.38Å; T62-K66 PolarHBondContact O-N 3.46Å; N64-K66 PolarHBondContact O-N 3.35Å; K66-N70 WeakPolarHBondContact O-CB 3.41Å; K66-N70 PolarHBondContact O-N 3.27Å; K66-N70 PolarHBondContact O-ND2 3.47Å; K66-N70 PolarHBondContact O-OD1 2.93Å
67T97.8Very high96.4Very high85 Ų85102.5 Ų102.552%0.52153%0.525SS..Hα-helixtrans-69.7-43.1177.5-58.30000111.9E63 N64 I65 N70 R71E63-T67 WeakPolarHBondContact O-CB 3.3Å; E63-T67 PolarHBondContact O-N 2.94Å; E63-T67 PolarHBondContact O-OG1 3.35Å; N64-T67 PolarHBondContact O-N 3.36Å; I65-T67 VanDerWaalsContact C-N 3.25Å; I65-T67 PolarHBondContact O-N 3.42Å; T67-N70 PolarHBondContact O-N 3.46Å; T67-R71 PolarHBondContact O-N 3Å
68L97.4Very high96.2Very high86 Ų86102.8 Ų102.845%0.4553%0.531SS..Hα-helixtrans-65.3-44.2175.7-70.8170.8000111.7N64 I65 N70 R71 L72N64-L68 WeakPolarHBondContact O-CG 3.42Å; N64-L68 PolarHBondContact O-N 2.89Å; I65-L68 PolarHBondContact O-N 3.17Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-N70 PolarHBondContact O-N 3.49Å; L68-R71 PolarHBondContact O-N 3.44Å; L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 3.12Å
69E96.8Very high96.1Very high81 Ų81104.5 Ų104.538%0.37953%0.532SS..Hα-helixtrans-58.8-43.4172.7-72.6-178.5-161.700112.2I65 R71 L72 R73I65-E69 HydrophobicContact CG2-CG 4.42Å; I65-E69 WeakPolarHBondContact O-CG 3.31Å; I65-E69 PolarHBondContact O-N 2.78Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 2.96Å; E69-L72 PolarHBondContact O-N 3.5Å; E69-R73 VanDerWaalsContact CB-NH2 3.27Å; E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 WeakPolarHBondContact O-CG 3.39Å; E69-R73 PolarHBondContact O-N 3.18Å; E69-R73 IonicContact OE2-CZ 2.74Å; E69-R73 VanDerWaalsContact OE2-CZ 3.23Å; E69-R73 IonicContact OE2-NH1 2.64Å; E69-R73 PolarHBondContact OE2-NH1 3Å; E69-R73 IonicContact OE2-NH2 3.66Å; E69-R73 PolarHBondContact OE2-NH2 3.48Å
70N96.6Very high95.9Very high80 Ų80101.1 Ų101.143%0.42853%0.526SS..Hα-helixtrans-62.9-38.9177.4-76.7-8.6000111.5K66 T67 L68 R73 A74K66-N70 WeakPolarHBondContact O-CB 3.41Å; K66-N70 PolarHBondContact O-N 3.27Å; K66-N70 PolarHBondContact O-ND2 3.47Å; K66-N70 PolarHBondContact O-OD1 2.93Å; T67-N70 PolarHBondContact O-N 3.46Å; L68-N70 VanDerWaalsContact C-N 3.34Å; L68-N70 PolarHBondContact O-N 3.49Å; N70-R73 PolarHBondContact O-N 3Å; N70-R73 PolarHBondContact OD1-NH2 3.3Å; N70-A74 WeakPolarHBondContact O-CB 3.44Å; N70-A74 PolarHBondContact O-N 2.82Å
71R94.2Very high95.8Very high182 Ų182100.5 Ų100.569%0.68753%0.525SS*.Hα-helixtrans-66.1-36.1174-166.3178.671.5-179.82.6112.4T67 L68 E69T67-R71 PolarHBondContact O-N 3Å; L68-R71 PolarHBondContact O-N 3.44Å; E69-R71 VanDerWaalsContact C-N 3.31Å; E69-R71 PolarHBondContact O-N 2.96Å
72L93Very high95.8Very high140 Ų14099.3 Ų99.373%0.73352%0.522SS*.Hα-helixtrans-68.9-41.4173.8-69.7169.3000111.8L68 E69 A74 G75L68-L72 WeakPolarHBondContact O-CG 3.36Å; L68-L72 PolarHBondContact O-N 3.12Å; E69-L72 PolarHBondContact O-N 3.5Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 2.8Å; L72-G75 PolarHBondContact O-N 2.74Å
73R95.6Very high95.8Very high159 Ų15999.5 Ų99.560%0.652%0.523SS*.Hα-helixtrans-67-27.5175.2-75.4-173.3-76.1-99.91113.5E69 N70 G75E69-R73 VanDerWaalsContact CB-NH2 3.27Å; E69-R73 WeakPolarHBondContact O-CB 3.44Å; E69-R73 WeakPolarHBondContact O-CG 3.39Å; E69-R73 PolarHBondContact O-N 3.18Å; E69-R73 IonicContact OE2-CZ 2.74Å; E69-R73 VanDerWaalsContact OE2-CZ 3.23Å; E69-R73 IonicContact OE2-NH1 2.64Å; E69-R73 PolarHBondContact OE2-NH1 3Å; E69-R73 IonicContact OE2-NH2 3.66Å; E69-R73 PolarHBondContact OE2-NH2 3.48Å; N70-R73 PolarHBondContact O-N 3Å; N70-R73 PolarHBondContact OD1-NH2 3.3Å; R73-G75 PolarHBondContact O-N 3.44Å
74A93.8Very high95.7Very high78 Ų78100.5 Ų100.565%0.64553%0.528SS*.THydrogen-bonded Turntrans-69.2-18.3173.400000113.3N70 L72N70-A74 WeakPolarHBondContact O-CB 3.44Å; N70-A74 PolarHBondContact O-N 2.82Å; L72-A74 VanDerWaalsContact C-N 3.31Å; L72-A74 PolarHBondContact O-N 2.8Å
75G90.1Very high95.7Very high55 Ų55100.9 Ų100.957%0.56753%0.526SS*.  trans73.6-137.8173.400000114.2L72 R73L72-G75 PolarHBondContact O-N 2.74Å; R73-G75 PolarHBondContact O-N 3.44Å
76L90.8Very high95.7Very high98 Ų98100.8 Ų100.851%0.51353%0.529SS..SBendtrans-76.8137.2177.2-65179.4000110.4C80 T81 Q84L76-C80 HydrophobicContact CB-CB 4.08Å; L76-C80 HydrophobicContact CD2-CB 4.21Å; L76-T81 PolarHBondContact O-OG1 3.33Å; L76-Q84 VanDerWaalsContact CD1-OE1 3.26Å
77C91.6Very high95.7Very high76 Ų7697.3 Ų97.351%0.51453%0.526SS..  trans-70.7156.2170.566.70000111.3R79 C80 T81C77-R79 PolarHBondContact O-N 2.93Å; C77-C80 WeakPolarHBondContact O-CA 3.47Å; C77-C80 WeakPolarHBondContact O-CB 3.43Å; C77-C80 PolarHBondContact O-N 3.46Å; C77-T81 PolarHBondContact O-N 3.46Å; C77-T81 PolarHBondContact O-OG1 3.38Å
78D94.5Very high95.7Very high136 Ų13699.8 Ų99.873%0.72753%0.529SS*.Hα-helixtrans-48.1-39.8-174.1-46.2-36.8000113.6C80 T81 V82D78-C80 PolarHBondContact O-N 2.83Å; D78-T81 PolarHBondContact O-N 3.47Å; D78-V82 WeakPolarHBondContact O-CB 3.42Å; D78-V82 VanDerWaalsContact O-CG2 3.31Å; D78-V82 WeakPolarHBondContact O-CG2 3.45Å; D78-V82 PolarHBondContact O-N 3.45Å
79R96.6Very high95.8Very high163 Ų163102.1 Ų102.162%0.61553%0.532SS*.Hα-helixtrans-61.7-43.5177.1-162.5-16674-175.20.8112C77 T83C77-R79 PolarHBondContact O-N 2.93Å; R79-T83 WeakPolarHBondContact O-CB 3.45Å; R79-T83 PolarHBondContact O-N 3.2Å; R79-T83 PolarHBondContact O-OG1 2.94Å
80C95.3Very high95.9Very high46 Ų46107.3 Ų107.331%0.31155%0.548SS..Hα-helixtrans-71-39177.2-67.90000111.5L76 C77 D78 T83 Q84L76-C80 HydrophobicContact CB-CB 4.08Å; L76-C80 HydrophobicContact CD2-CB 4.21Å; C77-C80 WeakPolarHBondContact O-CA 3.47Å; C77-C80 WeakPolarHBondContact O-CB 3.43Å; C77-C80 PolarHBondContact O-N 3.46Å; D78-C80 PolarHBondContact O-N 2.83Å; C80-T83 PolarHBondContact O-N 2.99Å; C80-Q84 WeakPolarHBondContact O-CB 3.35Å; C80-Q84 PolarHBondContact O-N 2.8Å
81T96.4Very high96Very high47 Ų47108 Ų10829%0.28855%0.549SS..Hα-helixtrans-60-50.4174.4-52.90000111.1L76 C77 D78 T83 Q84 E85L76-T81 PolarHBondContact O-OG1 3.33Å; C77-T81 PolarHBondContact O-N 3.46Å; C77-T81 PolarHBondContact O-OG1 3.38Å; D78-T81 PolarHBondContact O-N 3.47Å; T81-T83 PolarHBondContact O-N 2.83Å; T81-Q84 WeakPolarHBondContact O-CB 3.46Å; T81-Q84 PolarHBondContact O-N 3.02Å; T81-Q84 VanDerWaalsContact O-N 3.14Å; T81-E85 WeakPolarHBondContact O-CG 3.28Å; T81-E85 PolarHBondContact O-N 3.22Å
82V98.2Very high96.2Very high83 Ų83104.5 Ų104.550%0.50354%0.54SS..Hα-helixtrans-61.5-40175.61710000111.7D78 E85 V86D78-V82 WeakPolarHBondContact O-CB 3.42Å; D78-V82 VanDerWaalsContact O-CG2 3.31Å; D78-V82 WeakPolarHBondContact O-CG2 3.45Å; D78-V82 PolarHBondContact O-N 3.45Å; V82-E85 PolarHBondContact O-N 3.46Å; V82-V86 HydrophobicContact CG1-CG2 4.36Å; V82-V86 WeakPolarHBondContact O-CB 3.42Å; V82-V86 VanDerWaalsContact O-CG2 3.28Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 3Å
83T98.1Very high96.4Very high89 Ų89102.9 Ų102.955%0.54653%0.529SS..Hα-helixtrans-62.5-42.2173.8-61.70000112R79 C80 T81 A87R79-T83 WeakPolarHBondContact O-CB 3.45Å; R79-T83 PolarHBondContact O-N 3.2Å; R79-T83 PolarHBondContact O-OG1 2.94Å; C80-T83 PolarHBondContact O-N 2.99Å; T81-T83 PolarHBondContact O-N 2.83Å; T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 2.86Å
84Q97.9Very high96.6Very high119 Ų119102.1 Ų102.156%0.55653%0.527SS*.Hα-helixtrans-66-41.3176.8-172.1-178.81200111.8L76 C80 T81 A87 K88L76-Q84 VanDerWaalsContact CD1-OE1 3.26Å; C80-Q84 WeakPolarHBondContact O-CB 3.35Å; C80-Q84 PolarHBondContact O-N 2.8Å; T81-Q84 WeakPolarHBondContact O-CB 3.46Å; T81-Q84 PolarHBondContact O-N 3.02Å; T81-Q84 VanDerWaalsContact O-N 3.14Å; Q84-A87 PolarHBondContact O-N 2.99Å; Q84-K88 VanDerWaalsContact O-CB 3.25Å; Q84-K88 WeakPolarHBondContact O-CB 3.43Å; Q84-K88 PolarHBondContact O-N 3.28Å
85E98.1Very high96.8Very high101 Ų101102.8 Ų102.847%0.47252%0.517SS..Hα-helixtrans-64.4-43.8175.6-75.5-178.2-167.600112.5T81 V82 K88 R89T81-E85 WeakPolarHBondContact O-CG 3.28Å; T81-E85 PolarHBondContact O-N 3.22Å; V82-E85 PolarHBondContact O-N 3.46Å; E85-K88 PolarHBondContact O-N 2.93Å; E85-R89 VanDerWaalsContact O-CB 3.29Å; E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 PolarHBondContact O-N 3Å
86V98.4Very high97.2Very high78 Ų78103 Ų10347%0.47351%0.513SS..Hα-helixtrans-64.5-43.1176.7168.70000110.9V82 R89 R90V82-V86 HydrophobicContact CG1-CG2 4.36Å; V82-V86 WeakPolarHBondContact O-CB 3.42Å; V82-V86 VanDerWaalsContact O-CG2 3.28Å; V82-V86 WeakPolarHBondContact O-CG2 3.49Å; V82-V86 PolarHBondContact O-N 3Å; V86-R89 PolarHBondContact O-N 3.24Å; V86-R90 WeakPolarHBondContact O-CB 3.37Å; V86-R90 PolarHBondContact O-N 3.32Å
87A98.4Very high97.6Very high62 Ų62101.7 Ų101.751%0.51251%0.512SS..Hα-helixtrans-62-46175.100000111.8T83 Q84 R90 Q91T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 2.86Å; Q84-A87 PolarHBondContact O-N 2.99Å; A87-R90 PolarHBondContact O-N 3.33Å; A87-Q91 PolarHBondContact O-N 3.1Å
88K98.6Very high97.9Very high136 Ų136105.3 Ų105.359%0.59152%0.515SS*.Hα-helixtrans-62.4-45.5177.3-177.3179.2178.2-177.80112.1Q84 E85 Q91 Q92Q84-K88 VanDerWaalsContact O-CB 3.25Å; Q84-K88 WeakPolarHBondContact O-CB 3.43Å; Q84-K88 PolarHBondContact O-N 3.28Å; E85-K88 PolarHBondContact O-N 2.93Å; K88-Q91 PolarHBondContact O-N 3.5Å; K88-Q92 WeakPolarHBondContact O-CG 3.28Å; K88-Q92 PolarHBondContact O-N 3.42Å
89R98.6Very high98.1Very high136 Ų136103.4 Ų103.451%0.51350%0.504SS..Hα-helixtrans-62-46.7178.2-173.5-178.7-63.21389111.1E85 V86 Q91 Q92 E93E85-R89 VanDerWaalsContact O-CB 3.29Å; E85-R89 WeakPolarHBondContact O-CB 3.42Å; E85-R89 PolarHBondContact O-N 3Å; V86-R89 PolarHBondContact O-N 3.24Å; R89-Q91 VanDerWaalsContact C-N 3.3Å; R89-Q91 PolarHBondContact O-N 3.12Å; R89-Q92 WeakPolarHBondContact O-CB 3.47Å; R89-Q92 PolarHBondContact O-N 3.42Å; R89-Q92 VanDerWaalsContact O-N 3.11Å; R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 WeakPolarHBondContact CG-OE1 3.45Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.19Å
90R98.6Very high98.2Very high189 Ų189100.5 Ų100.571%0.71350%0.497SS*.Hα-helixtrans-62.7-35.2178.1-170174.4-177.9174.11.3112.9V86 A87 Y94V86-R90 WeakPolarHBondContact O-CB 3.37Å; V86-R90 PolarHBondContact O-N 3.32Å; A87-R90 PolarHBondContact O-N 3.33Å; R90-Y94 WeakPolarHBondContact O-CB 3.34Å; R90-Y94 PolarHBondContact O-N 2.88Å
91Q98.6Very high98.4Very high96 Ų96101.4 Ų101.445%0.44950%0.504SS..Hα-helixtrans-64.8-44.8172.3-177.463.221.200111.5A87 K88 R89 Y94 E95A87-Q91 PolarHBondContact O-N 3.1Å; K88-Q91 PolarHBondContact O-N 3.5Å; R89-Q91 VanDerWaalsContact C-N 3.3Å; R89-Q91 PolarHBondContact O-N 3.12Å; Q91-Y94 PolarHBondContact O-N 2.8Å; Q91-E95 PolarHBondContact NE2-OE1 3.32Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 3.29Å
92Q98.7Very high98.5Very high108 Ų108103.9 Ų103.951%0.50552%0.515SS..Hα-helixtrans-63.9-40.2177.1-69.2175.2-48.900112.2K88 R89 E95 A96K88-Q92 WeakPolarHBondContact O-CG 3.28Å; K88-Q92 PolarHBondContact O-N 3.42Å; R89-Q92 WeakPolarHBondContact O-CB 3.47Å; R89-Q92 PolarHBondContact O-N 3.42Å; R89-Q92 VanDerWaalsContact O-N 3.11Å; Q92-E95 PolarHBondContact O-N 3.32Å; Q92-A96 WeakPolarHBondContact O-CB 3.34Å; Q92-A96 PolarHBondContact O-N 3.41Å
93E98.6Very high98.5Very high106 Ų106105.7 Ų105.750%0.49552%0.518SS..Hα-helixtrans-62.1-42.1174.3-71.8163.6177.800111.7R89 S97R89-E93 HydrophobicContact CG-CG 4.46Å; R89-E93 WeakPolarHBondContact CG-OE1 3.45Å; R89-E93 WeakPolarHBondContact O-CG 3.44Å; R89-E93 PolarHBondContact O-N 3.19Å; E93-S97 VanDerWaalsContact O-CB 3.32Å; E93-S97 WeakPolarHBondContact O-CB 3.24Å; E93-S97 PolarHBondContact O-N 2.92Å; E93-S97 PolarHBondContact O-OG 3.14Å
94Y98.8Very high98.6Very high143 Ų143108.1 Ų108.156%0.56152%0.523SS*.Hα-helixtrans-65.6-45.5175.2174.3-105.2000112.2R90 Q91 S97 R98R90-Y94 WeakPolarHBondContact O-CB 3.34Å; R90-Y94 PolarHBondContact O-N 2.88Å; Q91-Y94 PolarHBondContact O-N 2.8Å; Y94-S97 PolarHBondContact O-N 3.49Å; Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.45Å; Y94-R98 PolarHBondContact O-N 3.3Å
95E98.6Very high98.6Very high91 Ų91107.1 Ų107.143%0.42552%0.521SS..Hα-helixtrans-63.1-43.4177.9-75172.1-173.500112.1Q91 Q92 R98 I99Q91-E95 PolarHBondContact NE2-OE1 3.32Å; Q91-E95 WeakPolarHBondContact O-CG 3.46Å; Q91-E95 PolarHBondContact O-N 3.29Å; Q92-E95 PolarHBondContact O-N 3.32Å; E95-R98 PolarHBondContact O-N 2.98Å; E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.29Å; E95-I99 PolarHBondContact O-N 3.41Å
96A98.6Very high98.6Very high59 Ų59106.3 Ų106.349%0.48853%0.526SS..Hα-helixtrans-61.2-47.2174.300000111.7Q92 R98 I99 Q100Q92-A96 WeakPolarHBondContact O-CB 3.34Å; Q92-A96 PolarHBondContact O-N 3.41Å; A96-R98 VanDerWaalsContact C-N 3.31Å; A96-R98 PolarHBondContact O-N 2.85Å; A96-I99 PolarHBondContact O-N 3.05Å; A96-Q100 PolarHBondContact O-N 3.48Å
97S98.6Very high98.6Very high72 Ų72107.4 Ų107.450%0.50353%0.529SS..Hα-helixtrans-61.4-38.6177.4-57.10000112.2E93 Y94 S101E93-S97 VanDerWaalsContact O-CB 3.32Å; E93-S97 WeakPolarHBondContact O-CB 3.24Å; E93-S97 PolarHBondContact O-N 2.92Å; E93-S97 PolarHBondContact O-OG 3.14Å; Y94-S97 PolarHBondContact O-N 3.49Å; S97-S101 WeakPolarHBondContact O-CB 3.25Å; S97-S101 PolarHBondContact O-N 3.19Å
98R98.6Very high98.6Very high152 Ų152109.2 Ų109.257%0.57453%0.529SS*.Hα-helixtrans-67.4-42.4176.3-178.7178.2175.6-127.8-1.1111.8Y94 E95 A96 S101 L102Y94-R98 VanDerWaalsContact O-CB 3.3Å; Y94-R98 WeakPolarHBondContact O-CB 3.45Å; Y94-R98 PolarHBondContact O-N 3.3Å; E95-R98 PolarHBondContact O-N 2.98Å; A96-R98 VanDerWaalsContact C-N 3.31Å; A96-R98 PolarHBondContact O-N 2.85Å; R98-S101 PolarHBondContact O-N 3.42Å; R98-L102 HydrophobicContact CG-CD1 4.4Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 2.79Å
99I98.7Very high98.6Very high96 Ų96105.3 Ų105.349%0.49252%0.522SS..Hα-helixtrans-63.8-45175.4-70164.8000110.3E95 A96 S101 L102 Q103E95-I99 VanDerWaalsContact O-CG1 3.29Å; E95-I99 WeakPolarHBondContact O-CG1 3.29Å; E95-I99 PolarHBondContact O-N 3.41Å; A96-I99 PolarHBondContact O-N 3.05Å; I99-S101 PolarHBondContact O-N 3.15Å; I99-L102 PolarHBondContact O-N 3.06Å; I99-Q103 WeakPolarHBondContact O-CG 3.42Å; I99-Q103 PolarHBondContact O-N 3.41Å
100Q98.6Very high98.6Very high102 Ų102100.1 Ų100.148%0.47751%0.511SS..Hα-helixtrans-59.2-46.9175.4-178.1177.7-5.600111.6A96 L102 Q103 H104A96-Q100 PolarHBondContact O-N 3.48Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.34Å; Q100-Q103 WeakPolarHBondContact O-CB 3.34Å; Q100-Q103 PolarHBondContact O-N 3.49Å; Q100-Q103 VanDerWaalsContact O-N 3.12Å; Q100-H104 PolarHBondContact NE2-NE2 3.22Å; Q100-H104 PolarHBondContact O-CD2 3.48Å; Q100-H104 VanDerWaalsContact O-CD2 3.24Å; Q100-H104 PolarHBondContact O-N 3.11Å
101S98.6Very high98.6Very high65 Ų6595.9 Ų95.946%0.45550%0.499SS..Hα-helixtrans-56.4-45176.5-179.20000112.1S97 R98 I99 Q103 H104 I105S97-S101 WeakPolarHBondContact O-CB 3.25Å; S97-S101 PolarHBondContact O-N 3.19Å; R98-S101 PolarHBondContact O-N 3.42Å; I99-S101 PolarHBondContact O-N 3.15Å; S101-Q103 PolarHBondContact O-N 3.08Å; S101-H104 PolarHBondContact O-N 3.45Å; S101-I105 VanDerWaalsContact O-CG1 3.29Å; S101-I105 WeakPolarHBondContact O-CG1 3.32Å; S101-I105 PolarHBondContact O-N 3.48Å
102L98.8Very high98.6Very high98 Ų9895.8 Ų95.851%0.51350%0.5SS..Hα-helixtrans-65.2-35.2176.1-69169.2000113.1R98 I99 Q100 S106R98-L102 HydrophobicContact CG-CD1 4.4Å; R98-L102 WeakPolarHBondContact O-CG 3.47Å; R98-L102 PolarHBondContact O-N 2.79Å; I99-L102 PolarHBondContact O-N 3.06Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.34Å; L102-S106 WeakPolarHBondContact O-CB 3.35Å; L102-S106 PolarHBondContact O-N 3.39Å
103Q98.6Very high98.6Very high122 Ų12293.6 Ų93.657%0.5749%0.494SS*.Hα-helixtrans-65.6-44173.6-71.9169.2-13.600111.8I99 Q100 S101 S106 L107I99-Q103 WeakPolarHBondContact O-CG 3.42Å; I99-Q103 PolarHBondContact O-N 3.41Å; Q100-Q103 WeakPolarHBondContact O-CB 3.34Å; Q100-Q103 PolarHBondContact O-N 3.49Å; Q100-Q103 VanDerWaalsContact O-N 3.12Å; S101-Q103 PolarHBondContact O-N 3.08Å; Q103-S106 WeakPolarHBondContact O-CB 3.48Å; Q103-S106 PolarHBondContact O-N 2.98Å; Q103-L107 PolarHBondContact O-N 3.49Å
104H98.8Very high98.6Very high139 Ų13992.2 Ų92.264%0.64449%0.49SS*.Hα-helixtrans-62.8-42.9175.3-82.1-110.7000111.7Q100 S101 S106 L107 L108Q100-H104 PolarHBondContact NE2-NE2 3.22Å; Q100-H104 PolarHBondContact O-CD2 3.48Å; Q100-H104 VanDerWaalsContact O-CD2 3.24Å; Q100-H104 PolarHBondContact O-N 3.11Å; S101-H104 PolarHBondContact O-N 3.45Å; H104-S106 VanDerWaalsContact C-N 3.34Å; H104-S106 PolarHBondContact O-N 2.9Å; H104-L107 PolarHBondContact O-N 3.03Å; H104-L108 WeakPolarHBondContact O-CG 3.4Å; H104-L108 PolarHBondContact O-N 3.34Å
105I98.6Very high98.6Very high99 Ų9990.1 Ų90.151%0.50849%0.488SS..Hα-helixtrans-61.3-42.1174.3-68.7163.7000111.2S101 A109S101-I105 VanDerWaalsContact O-CG1 3.29Å; S101-I105 WeakPolarHBondContact O-CG1 3.32Å; S101-I105 PolarHBondContact O-N 3.48Å; I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.41Å; I105-A109 PolarHBondContact O-N 2.83Å
106S98.6Very high98.6Very high83 Ų8393 Ų9358%0.5850%0.495SS*.Hα-helixtrans-63.9-40.9177.6-169.40000112.3L102 Q103 H104 A109 G110L102-S106 WeakPolarHBondContact O-CB 3.35Å; L102-S106 PolarHBondContact O-N 3.39Å; Q103-S106 WeakPolarHBondContact O-CB 3.48Å; Q103-S106 PolarHBondContact O-N 2.98Å; H104-S106 VanDerWaalsContact C-N 3.34Å; H104-S106 PolarHBondContact O-N 2.9Å; S106-A109 PolarHBondContact O-N 3.26Å; S106-G110 PolarHBondContact O-N 2.73Å
107L98.6Very high98.6Very high102 Ų10296.1 Ų96.153%0.53450%0.498SS..Hα-helixtrans-63.5-50.9176.1-177.9149000111.4Q103 H104 A109 G110 E111Q103-L107 PolarHBondContact O-N 3.49Å; H104-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3Å; L107-G110 WeakPolarHBondContact O-CA 3.29Å; L107-G110 PolarHBondContact O-N 3.31Å; L107-E111 HydrophobicContact CD2-CG 4.29Å; L107-E111 WeakPolarHBondContact CD2-OE1 3.42Å; L107-E111 PolarHBondContact O-N 3.43Å
108L98.7Very high98.6Very high100 Ų10098 Ų9852%0.52450%0.498SS..Hα-helixtrans-60.8-37.5176.7-69.8169.8000112.1H104 M112H104-L108 WeakPolarHBondContact O-CG 3.4Å; H104-L108 PolarHBondContact O-N 3.34Å; L108-M112 VanDerWaalsContact O-CB 3.26Å; L108-M112 WeakPolarHBondContact O-CB 3.45Å; L108-M112 VanDerWaalsContact O-CG 3.25Å; L108-M112 WeakPolarHBondContact O-CG 3.2Å; L108-M112 PolarHBondContact O-N 2.7Å
109A98.6Very high98.6Very high53 Ų5394.7 Ų94.744%0.43849%0.492SS..Hα-helixtrans-63.3-42.617300000111.4I105 S106 L107 M112 T113I105-A109 VanDerWaalsContact O-CB 3.29Å; I105-A109 WeakPolarHBondContact O-CB 3.41Å; I105-A109 PolarHBondContact O-N 2.83Å; S106-A109 PolarHBondContact O-N 3.26Å; L107-A109 VanDerWaalsContact C-N 3.29Å; L107-A109 PolarHBondContact O-N 3Å; A109-M112 PolarHBondContact O-N 2.88Å; A109-T113 WeakPolarHBondContact O-CG2 3.32Å; A109-T113 PolarHBondContact O-N 3.14Å
110G98.6Very high98.6Very high28 Ų2894.7 Ų94.729%0.28949%0.493SS..Hα-helixtrans-58-54174.100000112.7S106 L107 M112 T113 N114S106-G110 PolarHBondContact O-N 2.73Å; L107-G110 WeakPolarHBondContact O-CA 3.29Å; L107-G110 PolarHBondContact O-N 3.31Å; G110-M112 VanDerWaalsContact C-N 3.32Å; G110-M112 PolarHBondContact O-N 3.11Å; G110-T113 WeakPolarHBondContact O-CA 3.3Å; G110-T113 PolarHBondContact O-N 3.04Å; G110-T113 PolarHBondContact O-OG1 3.29Å; G110-N114 PolarHBondContact O-N 3.37Å
111E98.5Very high98.5Very high99 Ų9995.7 Ų95.746%0.46350%0.496SS..Hα-helixtrans-55-47175.1-69.1177.2159.500111.4L107 T113 N114 L115L107-E111 HydrophobicContact CD2-CG 4.29Å; L107-E111 WeakPolarHBondContact CD2-OE1 3.42Å; L107-E111 PolarHBondContact O-N 3.43Å; E111-T113 PolarHBondContact O-N 2.7Å; E111-N114 PolarHBondContact O-N 2.99Å; E111-L115 WeakPolarHBondContact O-CG 3.44Å; E111-L115 PolarHBondContact O-N 2.64Å
112M98.5Very high98.5Very high94 Ų9497.3 Ų97.346%0.46350%0.499SS..Hα-helixtrans-64-22.3174.9-75.8-66.2-64.900113.8L108 A109 G110 L115 R116L108-M112 VanDerWaalsContact O-CB 3.26Å; L108-M112 WeakPolarHBondContact O-CB 3.45Å; L108-M112 VanDerWaalsContact O-CG 3.25Å; L108-M112 WeakPolarHBondContact O-CG 3.2Å; L108-M112 PolarHBondContact O-N 2.7Å; A109-M112 PolarHBondContact O-N 2.88Å; G110-M112 VanDerWaalsContact C-N 3.32Å; G110-M112 PolarHBondContact O-N 3.11Å; M112-L115 HydrophobicContact SD-CD1 4.44Å; M112-R116 VanDerWaalsContact C-NH1 3.27Å; M112-R116 WeakPolarHBondContact O-CD 3.29Å; M112-R116 WeakPolarHBondContact O-CG 3.38Å; M112-R116 PolarHBondContact O-NH1 3.25Å
113T98.4Very high98.5Very high63 Ų6398.5 Ų98.539%0.38750%0.499SS..Hα-helixtrans-80-32.5168.168.50000112.7A109 G110 E111 R116 K117A109-T113 WeakPolarHBondContact O-CG2 3.32Å; A109-T113 PolarHBondContact O-N 3.14Å; G110-T113 WeakPolarHBondContact O-CA 3.3Å; G110-T113 PolarHBondContact O-N 3.04Å; G110-T113 PolarHBondContact O-OG1 3.29Å; E111-T113 PolarHBondContact O-N 2.7Å; T113-R116 PolarHBondContact O-N 3.33Å; T113-K117 VanDerWaalsContact O-CG 3.31Å; T113-K117 WeakPolarHBondContact O-CG 3.44Å; T113-K117 PolarHBondContact O-N 2.92Å; T113-K117 VanDerWaalsContact O-N 3.13Å
114N98.6Very high98.4Very high76 Ų7697.9 Ų97.941%0.40650%0.497SS..Hα-helixtrans-71.7-47.3178.3-68.4-15.8000111.2G110 E111 R116 K117 E118G110-N114 PolarHBondContact O-N 3.37Å; E111-N114 PolarHBondContact O-N 2.99Å; N114-R116 PolarHBondContact O-N 2.9Å; N114-K117 WeakPolarHBondContact O-CA 3.36Å; N114-K117 WeakPolarHBondContact O-CB 3.29Å; N114-K117 PolarHBondContact O-N 3.34Å; N114-K117 PolarHBondContact OD1-NZ 2.99Å; N114-E118 PolarHBondContact O-N 3.04Å
115L98.6Very high98.4Very high99 Ų9994.4 Ų94.452%0.51848%0.483SS..Hα-helixtrans-57-34173.2-68.4172.5000112.5E111 M112 N119E111-L115 WeakPolarHBondContact O-CG 3.44Å; E111-L115 PolarHBondContact O-N 2.64Å; M112-L115 HydrophobicContact SD-CD1 4.44Å; L115-N119 WeakPolarHBondContact O-CB 3.35Å; L115-N119 PolarHBondContact O-N 3.37Å
116R98.4Very high98.3Very high153 Ų15393.8 Ų93.858%0.57748%0.48SS*.Hα-helixtrans-68.9-39.8173-76.3177.8-167.1111.1-12.4112.8M112 T113 N114 L120M112-R116 VanDerWaalsContact C-NH1 3.27Å; M112-R116 WeakPolarHBondContact O-CD 3.29Å; M112-R116 WeakPolarHBondContact O-CG 3.38Å; M112-R116 PolarHBondContact O-NH1 3.25Å; T113-R116 PolarHBondContact O-N 3.33Å; N114-R116 PolarHBondContact O-N 2.9Å; R116-L120 WeakPolarHBondContact O-CB 3.49Å; R116-L120 PolarHBondContact O-N 2.87Å
117K98.4Very high98.2Very high123 Ų12392.6 Ų92.654%0.53548%0.475SS..Hα-helixtrans-65.8-44.7175.3-65.7162-160.4159.80111T113 N114 L120 K121T113-K117 VanDerWaalsContact O-CG 3.31Å; T113-K117 WeakPolarHBondContact O-CG 3.44Å; T113-K117 PolarHBondContact O-N 2.92Å; T113-K117 VanDerWaalsContact O-N 3.13Å; N114-K117 WeakPolarHBondContact O-CA 3.36Å; N114-K117 WeakPolarHBondContact O-CB 3.29Å; N114-K117 PolarHBondContact O-N 3.34Å; N114-K117 PolarHBondContact OD1-NZ 2.99Å; K117-L120 PolarHBondContact O-N 3.39Å; K117-K121 PolarHBondContact O-N 3.35Å
118E98.4Very high98.1Very high111 Ų11191.2 Ų91.252%0.51947%0.473SS..Hα-helixtrans-64.1-43.6177.2-70.8169.7-175.400111.3N114 L120 K121 L122N114-E118 PolarHBondContact O-N 3.04Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 2.92Å; E118-K121 PolarHBondContact O-N 2.93Å; E118-L122 WeakPolarHBondContact O-CB 3.26Å; E118-L122 VanDerWaalsContact O-CG 3.28Å; E118-L122 WeakPolarHBondContact O-CG 3.48Å; E118-L122 PolarHBondContact O-N 3.34Å
119N98.1Very high97.9Very high83 Ų8392 Ų9244%0.44448%0.478SS..Hα-helixtrans-66.1-30.8175.6-170.4-101.6000113.1L115 K123L115-N119 WeakPolarHBondContact O-CB 3.35Å; L115-N119 PolarHBondContact O-N 3.37Å; N119-K123 WeakPolarHBondContact O-CD 3.31Å; N119-K123 VanDerWaalsContact O-CG 3.3Å; N119-K123 WeakPolarHBondContact O-CG 3.36Å; N119-K123 PolarHBondContact O-N 3.42Å; N119-K123 VanDerWaalsContact OD1-CE 3.28Å; N119-K123 WeakPolarHBondContact OD1-CE 3.17Å; N119-K123 PolarHBondContact OD1-NZ 2.93Å
120L98.5Very high97.7Very high97 Ų9798 Ų9851%0.50849%0.489SS..Hα-helixtrans-69.2-50.7171.5-178.963.9000110.8R116 K117 E118 L122 K123 E124R116-L120 WeakPolarHBondContact O-CB 3.49Å; R116-L120 PolarHBondContact O-N 2.87Å; K117-L120 PolarHBondContact O-N 3.39Å; E118-L120 VanDerWaalsContact C-N 3.3Å; E118-L120 PolarHBondContact O-N 2.92Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 PolarHBondContact O-N 3.11Å; L120-K123 WeakPolarHBondContact O-CA 3.14Å; L120-K123 WeakPolarHBondContact O-CB 3.44Å; L120-K123 PolarHBondContact O-N 3.23Å; L120-E124 PolarHBondContact O-N 3.24Å
121K98.3Very high97.5Very high123 Ų12399.4 Ų99.454%0.53550%0.498SS..Hα-helixtrans-56.6-45.7176.6-169-157.1166.5-164.40111.7K117 E118 K123 E124 D125K117-K121 PolarHBondContact O-N 3.35Å; E118-K121 PolarHBondContact O-N 2.93Å; K121-K123 PolarHBondContact O-N 2.75Å; K121-E124 CarbonylContact O-C 3.58Å; K121-E124 WeakPolarHBondContact O-CA 3.4Å; K121-E124 WeakPolarHBondContact O-CB 3.41Å; K121-E124 PolarHBondContact O-N 3.08Å; K121-D125 WeakPolarHBondContact CE-OD2 3.25Å; K121-D125 IonicContact NZ-OD2 2.7Å; K121-D125 VanDerWaalsContact O-CG 3.32Å; K121-D125 PolarHBondContact O-N 3.12Å
122L98.3Very high97.2Very high99 Ų9998.1 Ų98.152%0.51850%0.497SS..Hα-helixtrans-62.2-29.4177.2-72170.1000112.6E118 L120 I126E118-L122 WeakPolarHBondContact O-CB 3.26Å; E118-L122 VanDerWaalsContact O-CG 3.28Å; E118-L122 WeakPolarHBondContact O-CG 3.48Å; E118-L122 PolarHBondContact O-N 3.34Å; L120-L122 VanDerWaalsContact C-N 3.33Å; L120-L122 PolarHBondContact O-N 3.11Å; L122-I126 WeakPolarHBondContact O-CB 3.47Å; L122-I126 VanDerWaalsContact O-CD1 3.31Å; L122-I126 WeakPolarHBondContact O-CD1 3.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.2Å; L122-I126 PolarHBondContact O-N 2.94Å
123K98Very high96.7Very high122 Ų12299.6 Ų99.653%0.5351%0.506SS..Hα-helixtrans-72.7-37.8171.9-74.9162.6174.8159.40112.1N119 L120 K121 A127N119-K123 WeakPolarHBondContact O-CD 3.31Å; N119-K123 VanDerWaalsContact O-CG 3.3Å; N119-K123 WeakPolarHBondContact O-CG 3.36Å; N119-K123 PolarHBondContact O-N 3.42Å; N119-K123 VanDerWaalsContact OD1-CE 3.28Å; N119-K123 WeakPolarHBondContact OD1-CE 3.17Å; N119-K123 PolarHBondContact OD1-NZ 2.93Å; L120-K123 WeakPolarHBondContact O-CA 3.14Å; L120-K123 WeakPolarHBondContact O-CB 3.44Å; L120-K123 PolarHBondContact O-N 3.23Å; K121-K123 PolarHBondContact O-N 2.75Å; K123-A127 VanDerWaalsContact O-CB 3.3Å; K123-A127 WeakPolarHBondContact O-CB 3.5Å; K123-A127 PolarHBondContact O-N 3.09Å
124E97.8Very high96Very high110 Ų110102.4 Ų102.451%0.51452%0.515SS..Hα-helixtrans-65.2-46173.9-66.2164.3178.900110.8L120 K121 I126 A127 S128L120-E124 PolarHBondContact O-N 3.24Å; K121-E124 CarbonylContact O-C 3.58Å; K121-E124 WeakPolarHBondContact O-CA 3.4Å; K121-E124 WeakPolarHBondContact O-CB 3.41Å; K121-E124 PolarHBondContact O-N 3.08Å; E124-I126 PolarHBondContact O-N 2.95Å; E124-A127 PolarHBondContact O-N 3.27Å; E124-S128 WeakPolarHBondContact O-CB 3.28Å; E124-S128 PolarHBondContact O-N 2.92Å
125D97.3Very high94.9Very high65 Ų65102.4 Ų102.435%0.34852%0.521SS..Hα-helixtrans-58.7-45.9174.2-67.2-31.7000110.9K121 S128 L129K121-D125 WeakPolarHBondContact CE-OD2 3.25Å; K121-D125 IonicContact NZ-OD2 2.7Å; K121-D125 VanDerWaalsContact O-CG 3.32Å; K121-D125 PolarHBondContact O-N 3.12Å; D125-S128 PolarHBondContact O-N 3.37Å; D125-L129 WeakPolarHBondContact O-CG 3.35Å; D125-L129 PolarHBondContact O-N 3.2Å
126I97.3Very high93.5Very high87 Ų87101.7 Ų101.745%0.44652%0.523SS..Hα-helixtrans-64.6-39.9175.7-73.4165.6000112.2L122 E124 R130L122-I126 WeakPolarHBondContact O-CB 3.47Å; L122-I126 VanDerWaalsContact O-CD1 3.31Å; L122-I126 WeakPolarHBondContact O-CD1 3.44Å; L122-I126 WeakPolarHBondContact O-CG1 3.2Å; L122-I126 PolarHBondContact O-N 2.94Å; E124-I126 PolarHBondContact O-N 2.95Å; I126-R130 VanDerWaalsContact O-CG 3.32Å; I126-R130 WeakPolarHBondContact O-CG 3.28Å; I126-R130 PolarHBondContact O-N 3.07Å
127A96.7Very high91.6Very high57 Ų5796.8 Ų96.847%0.47151%0.512SS..Hα-helixtrans-66.6-41.7177.900000111.5K123 E124 R130 A131K123-A127 VanDerWaalsContact O-CB 3.3Å; K123-A127 WeakPolarHBondContact O-CB 3.5Å; K123-A127 PolarHBondContact O-N 3.09Å; E124-A127 PolarHBondContact O-N 3.27Å; A127-R130 PolarHBondContact O-N 3.42Å; A127-A131 PolarHBondContact O-N 3.48Å
128S96Very high89.5Confident73 Ų7397.7 Ų97.751%0.5152%0.518SS..Hα-helixtrans-60.1-49.4173.8-174.30000111.6E124 D125 R130 A131 T132E124-S128 WeakPolarHBondContact O-CB 3.28Å; E124-S128 PolarHBondContact O-N 2.92Å; D125-S128 PolarHBondContact O-N 3.37Å; S128-R130 VanDerWaalsContact C-N 3.33Å; S128-R130 PolarHBondContact O-N 2.91Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-A131 VanDerWaalsContact O-N 3.12Å; S128-T132 PolarHBondContact O-N 3.27Å
129L95.6Very high87.4Confident117 Ų117100.6 Ų100.661%0.61353%0.531SS*.Hα-helixtrans-59.9-41178-72.8166000112.2D125 T132 L133D125-L129 WeakPolarHBondContact O-CG 3.35Å; D125-L129 PolarHBondContact O-N 3.2Å; L129-T132 WeakPolarHBondContact CA-OG1 3.4Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 PolarHBondContact O-OG1 3.46Å; L129-L133 PolarHBondContact O-N 2.94Å
130R94.4Very high84.9Confident179 Ų179103 Ų10368%0.67554%0.544SS*.Hα-helixtrans-62.3-44.1173.9-73173.6-177.8-165.2-0.1112.2I126 A127 S128 T132 L133 E134I126-R130 VanDerWaalsContact O-CG 3.32Å; I126-R130 WeakPolarHBondContact O-CG 3.28Å; I126-R130 PolarHBondContact O-N 3.07Å; A127-R130 PolarHBondContact O-N 3.42Å; S128-R130 VanDerWaalsContact C-N 3.33Å; S128-R130 PolarHBondContact O-N 2.91Å; R130-T132 VanDerWaalsContact C-N 3.32Å; R130-T132 PolarHBondContact O-N 3.45Å; R130-L133 PolarHBondContact O-N 2.95Å; R130-E134 PolarHBondContact O-N 3.33Å
131A93.1Very high82.3Confident57 Ų57103.9 Ų103.947%0.47155%0.55SS..Hα-helixtrans-62.7-37.3176.400000112.5A127 S128 S135A127-A131 PolarHBondContact O-N 3.48Å; S128-A131 PolarHBondContact O-N 2.96Å; S128-A131 VanDerWaalsContact O-N 3.12Å; A131-S135 WeakPolarHBondContact O-CB 3.3Å; A131-S135 PolarHBondContact O-N 3.32Å; A131-S135 PolarHBondContact O-OG 3.31Å
132T91.6Very high79.8Confident72 Ų72105 Ų10544%0.44256%0.562SS.*Hα-helixtrans-68.3-39.2173.4590000112.5S128 L129 R130 S135 C136S128-T132 PolarHBondContact O-N 3.27Å; L129-T132 WeakPolarHBondContact CA-OG1 3.4Å; L129-T132 PolarHBondContact O-N 2.91Å; L129-T132 PolarHBondContact O-OG1 3.46Å; R130-T132 VanDerWaalsContact C-N 3.32Å; R130-T132 PolarHBondContact O-N 3.45Å; T132-S135 PolarHBondContact O-N 2.91Å; T132-C136 PolarHBondContact O-N 3Å; T132-C136 PolarHBondContact O-SG 3.4Å; T132-C136 VanDerWaalsContact O-SG 3.37Å
133L88.6Confident77.1Confident125 Ų125108 Ų10865%0.65458%0.578SS**Hα-helixtrans-63.2-44176.718061.5000111.6L129 R130 C136 S137L129-L133 PolarHBondContact O-N 2.94Å; R130-L133 PolarHBondContact O-N 2.95Å; L133-C136 PolarHBondContact O-N 2.91Å; L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 2.93Å
134E83.9Confident74.1Confident122 Ų122107.2 Ų107.257%0.5759%0.588SS**Hα-helixtrans-62.4-44.3175.9-152.268.2-106.100111.1R130 C136 S137 E138R130-E134 PolarHBondContact O-N 3.33Å; E134-C136 VanDerWaalsContact C-N 3.28Å; E134-C136 PolarHBondContact O-N 2.76Å; E134-S137 VanDerWaalsContact O-CB 3.29Å; E134-S137 WeakPolarHBondContact O-CB 3.33Å; E134-S137 PolarHBondContact O-N 3.4Å; E134-S137 VanDerWaalsContact O-N 3.09Å; E134-E138 WeakPolarHBondContact O-CG 3.4Å; E134-E138 PolarHBondContact O-N 3.36Å
135S76.3Confident71.6Confident76 Ų76108.1 Ų108.153%0.53160%0.6SS.*Hα-helixtrans-62.1-33.6177.3-57.30000112.9A131 T132A131-S135 WeakPolarHBondContact O-CB 3.3Å; A131-S135 PolarHBondContact O-N 3.32Å; A131-S135 PolarHBondContact O-OG 3.31Å; T132-S135 PolarHBondContact O-N 2.91Å
136C67.8Low69Low85 Ų85111.4 Ų111.457%0.57462%0.618SS**Hα-helixtrans-78.8-30.1173.4-69.70000113.1T132 L133 E134 H139 N140T132-C136 PolarHBondContact O-N 3Å; T132-C136 PolarHBondContact O-SG 3.4Å; T132-C136 VanDerWaalsContact O-SG 3.37Å; L133-C136 PolarHBondContact O-N 2.91Å; E134-C136 VanDerWaalsContact C-N 3.28Å; E134-C136 PolarHBondContact O-N 2.76Å; C136-H139 PolarHBondContact O-N 2.91Å; C136-N140 PolarHBondContact O-N 3.36Å
137S58.9Low66.4Low50 Ų50113.6 Ų113.635%0.3564%0.635SS.*Hα-helixtrans-62.1-52.6173.6-172.50000110.5L133 E134 H139 N140 N141L133-S137 WeakPolarHBondContact O-CB 3.37Å; L133-S137 PolarHBondContact O-N 2.93Å; E134-S137 VanDerWaalsContact O-CB 3.29Å; E134-S137 WeakPolarHBondContact O-CB 3.33Å; E134-S137 PolarHBondContact O-N 3.4Å; E134-S137 VanDerWaalsContact O-N 3.09Å; S137-H139 PolarHBondContact O-N 2.96Å; S137-H139 VanDerWaalsContact O-N 3.16Å; S137-N140 PolarHBondContact O-N 3.43Å; S137-N141 PolarHBondContact O-N 2.93Å; S137-N141 PolarHBondContact O-ND2 3.33Å
138E53.8Low63.4Low141 Ų141119.1 Ų119.166%0.65965%0.649SS**Hα-helixtrans-53.4-36.3176.7-72.5-75.7102.400112.8E134E134-E138 WeakPolarHBondContact O-CG 3.4Å; E134-E138 PolarHBondContact O-N 3.36Å
139H54.9Low60.9Low172 Ų172121.6 Ų121.680%0.79666%0.663SS**Hα-helixtrans-81.2-16.3178.7-97.962000115.2C136 S137C136-H139 PolarHBondContact O-N 2.91Å; S137-H139 PolarHBondContact O-N 2.96Å; S137-H139 VanDerWaalsContact O-N 3.16Å
140N45.4Very low58.1Low134 Ų134126 Ų12672%0.71768%0.677SS**Hα-helixtrans-101.3-2.3-176-154.729.3000113.6C136 S137 N142C136-N140 PolarHBondContact O-N 3.36Å; S137-N140 PolarHBondContact O-N 3.43Å; N140-N142 PolarHBondContact O-N 3.03Å
141N45.2Very low55.4Low115 Ų115125.5 Ų125.562%0.61569%0.685SS**  trans-7634.3179.2-75.8-39.5000114.5S137S137-N141 PolarHBondContact O-N 2.93Å; S137-N141 PolarHBondContact O-ND2 3.33Å
142N44.8Very low52.9Low148 Ų148127.5 Ų127.579%0.79170%0.695SS**SBendtrans-119.344.3170.7-88.4-47.9000111.5N140N140-N142 PolarHBondContact O-N 3.03Å
143N41.2Very low51Low162 Ų162130 Ų13087%0.86671%0.712SS**SBendtrans-170.4146151.9-98.7-40000115
144S36.6Very low48.2Very low104 Ų104130.7 Ų130.773%0.72772%0.717SS**  trans75.188.4150.7-164.50000122.3
145V44.6Very low46.1Very low129 Ų129132.7 Ų132.778%0.78273%0.731SS**  53.5115.5124.4-174.50000121.1
146D41.3Very low44.2Very low135 Ų135136.5 Ų136.572%0.72274%0.744SS**  trans-13.5117.4148.1-178.2-1.4000118.2K148D146-K148 PolarHBondContact OD1-N 2.88Å
147V42.8Very low42.5Very low133 Ų133137.9 Ų137.981%0.80676%0.755SS**  trans-136.189146.9-172.10000111.8
148K35.4Very low41.8Very low172 Ų172141.4 Ų141.475%0.74878%0.777SS**  trans-4.9115.5146.2-169161.5-168.6156.70117.7D146D146-K148 PolarHBondContact OD1-N 2.88Å
149P42.8Very low40.7Very low126 Ų126138.2 Ų138.282%0.81878%0.781SS**  trans-72.8141.2174.929.7-34.2000112.7
150K36.3Very low39.7Very low208 Ų208135.2 Ų135.290%0.90479%0.786SS**  trans-108.5153.7167.6-80.2-162.8174.4-173.10111.1
151M37.3Very low39.5Very low170 Ų170135.4 Ų135.484%0.83779%0.792SS**  trans-94.6151.9-173.7-62.3179.666.100114
152S41.8Very low39.1Very low99 Ų99134.5 Ų134.569%0.69280%0.801SS**  trans70.6162.8148-650000117.8
153P51.7Low38.5Very low123 Ų123135.7 Ų135.780%0.79981%0.806SS**  cis-127-175.811.142.8-27.3000116.8
154D29.3Very low38.4Very low141 Ų141134.4 Ų134.475%0.75480%0.804SS**  trans-72.2159.3-171.9-48.4-98.9000116.8
155L39Very low38.1Very low164 Ų164134.1 Ų134.186%0.85980%0.802SS**  trans-142.599.3143.6-77.6-175.6000112.4
156L37Very low37.7Very low156 Ų156134.1 Ų134.182%0.81781%0.805SS**  trans48.3107.7141.1-55.9173.7000121.3
157S31.6Very low37.2Very low114 Ų114133.9 Ų133.980%0.79781%0.808SS**  21.4164.6115.9-107.70000122.6
158P44.3Very low36.9Very low124 Ų124135.5 Ų135.581%0.80581%0.81SS**  cis-133173.8-6.540-23.6000114.8
159G31.1Very low36.7Very low73 Ų73132.6 Ų132.675%0.75381%0.812SS**  trans169.552.6171.400000117.5V161G159-V161 PolarHBondContact O-N 3.21Å
160A34.5Very low36.2Very low109 Ų109138.2 Ų138.290%0.90182%0.817SS**  trans-78.4110.7-176.300000113.4
161V42.1Very low35.8Very low138 Ų138133.2 Ų133.284%0.83681%0.808SS**  trans-112.8108.9161.8-78.40000109.3G159G159-V161 PolarHBondContact O-N 3.21Å
162A35.6Very low35.3Very low97 Ų97135.3 Ų135.380%0.80281%0.806SS**  trans-79.1130.3-176.200000111.6
163L32.8Very low34.8Very low172 Ų172137.8 Ų137.890%0.90181%0.812SS**  trans-72136.4164.9-74.2108.1000110
164V37.7Very low33.8Very low136 Ų136140 Ų14082%0.82481%0.811SS**  trans-114.2111.8169.5179.70000108.8
165S32.2Very low33.8Very low98 Ų98141.6 Ų141.669%0.68582%0.819SS**  trans-80.1140.1168.9-62.50000110.2T167S165-T167 PolarHBondContact O-N 3.2Å
166P36.3Very low33.4Very low129 Ų129137.8 Ų137.884%0.83881%0.811SS**  trans-79.6111-179.930.7-33.3000111.6
167T30.6Very low33Very low129 Ų129137.9 Ų137.979%0.79181%0.813SS**  trans-100.5121.4167.7-610000109.7S165S165-T167 PolarHBondContact O-N 3.2Å
168I36.3Very low33Very low167 Ų167135.8 Ų135.886%0.85681%0.809SS**  trans-78124.8173.7-61.8168.8000108.8
169S29.8Very low32.4Very low111 Ų111137 Ų13778%0.77681%0.809SS**  trans-126.1153.4173.659.20000111.4
170R32.5Very low32.3Very low245 Ų245138.9 Ų138.993%0.92581%0.805SS**  trans-103.2134-173.8-67168165.4166.8-8.5111.6
171S27.5Very low32Very low102 Ų102141.7 Ų141.771%0.71380%0.804SS**  trans-94.7140.9132.748.60000107
172R27.8Very low31.6Very low214 Ų214141 Ų14181%0.80880%0.8SS**  cis71.78018.6-158.6-175.5-174.51724115
173D30.4Very low31.5Very low151 Ų151145.9 Ų145.981%0.80780%0.803SS**  trans-109.1154.1153.9-64.6-67.3000110
174Q31.5Very low31.6Very low169 Ų169142.8 Ų142.879%0.7979%0.792SS**  trans-145.1134.3164.5-93.6-170.66.100108.2
175L29.3Very low31.1Very low175 Ų175144.7 Ų144.792%0.91679%0.792SS**  trans-146.9144.6152.7-141.178.9000108.5
176A31.7Very low31.1Very low84 Ų84145.1 Ų145.169%0.69480%0.801SS**  trans-80.1176.3164.800000109
177D27.4Very low30.8Very low159 Ų159145.8 Ų145.885%0.8580%0.798SS**  cis-155.116915-162.1-4.6000108.9
178G31.7Very low30.9Very low70 Ų70147 Ų14772%0.72279%0.794SS**  trans165.62176.500000122.5
179D31.1Very low30.7Very low150 Ų150150.9 Ų150.980%0.80280%0.798SS**  trans63.2154.9152.4-135.1-8.1000123.8
180V29.7Very low30.7Very low111 Ų111149.4 Ų149.467%0.67380%0.801SS**  trans50.1104164.2-167.10000121
181L27.4Very low30.6Very low168 Ų168146.6 Ų146.688%0.8880%0.798SS**  -166.1145.394.3-171.459.2000111.8
182V34.7Very low31.1Very low124 Ų124150.5 Ų150.575%0.75281%0.805SS**  trans-99.5134-169.4173.40000113.1
183K34.4Very low31.7Very low199 Ų199147.3 Ų147.387%0.86581%0.809SS**  trans-154.2130.4136.3-136.8168.4-177.9173.10116.2
184T34.2Very low31.7Very low107 Ų107147.6 Ų147.666%0.65681%0.806SS**  trans-56.6167.215831.80000112.6
185E27Very low31.9Very low177 Ų177146 Ų14683%0.82781%0.812SS**  cis177.8144.5-2158.5179.6-155.300107.1
186A32.1Very low32.4Very low107 Ų107149.1 Ų149.188%0.88481%0.811SS**  trans-167.2150.5163.900000114
187D29.2Very low32.6Very low143 Ų143152 Ų15277%0.76581%0.814SS**  trans-87.8165.1-153.1-157.722.5000118
188H33Very low32.9Very low154 Ų154152.7 Ų152.771%0.71382%0.817SS**  trans-32.7157.8172.1-67.4-48.7000124
189R32.1Very low33.5Very low248 Ų248161.1 Ų161.194%0.93683%0.827SS**  trans77.8134.5147.2-83.7-165.9-67.7-132.5-1.4121.3
190G29.6Very low33.4Very low81 Ų81165.4 Ų165.484%0.83583%0.832SS**  trans171.1129.2165.200000110.3
191E30.2Very low33.6Very low185 Ų185165.9 Ų165.986%0.86484%0.835SS**  trans-94.6159.2-178.2-74.6166.9123.400112.7
192E39.7Very low33.7Very low185 Ų185165.1 Ų165.186%0.86483%0.832SS**  trans19.199.2156.6-57.9-172.9168.200119.6
193T40.1Very low33.6Very low146 Ų146167.9 Ų167.990%0.89684%0.837SS**  trans-16963.8145.611.30000116.3
194E30Very low33.3Very low157 Ų157163.9 Ų163.973%0.73483%0.834SS**  trans-143.588.3158.8-155.1166-15700115.9
195C34.9Very low33.1Very low136 Ų136163.9 Ų163.992%0.91984%0.838SS**SBendtrans-136.533.2167.3-87.10000111.9
196R40.1Very low33.3Very low240 Ų240165.3 Ų165.391%0.90684%0.842SS**  trans-133.57.1-174.2-80.4-163.9172.2-147.80.5117.2
197L36.5Very low33.2Very low144 Ų144168.4 Ų168.475%0.75484%0.839SS**SBendtrans-114.232.1-175-145.277.1000116.7
198L34.1Very low33.5Very low175 Ų175167.5 Ų167.592%0.91684%0.838SS**SBendtrans-143.139.7174.3-112.6167.4000114.2
199R42.8Very low33.4Very low247 Ų247170.6 Ų170.693%0.93285%0.845SS**  trans-129.343-178.1-146.4-176.5-153.8-139.97115.7
200R30.3Very low33.4Very low239 Ų239167.2 Ų167.290%0.90284%0.837SS**  trans-158.7125.8165.7-92.5177.2178.2162.9-0.9104.6
201T32.7Very low33.5Very low121 Ų121169.3 Ų169.374%0.74284%0.836SS**  cis-151.6177.833.550.10000108.7
202N29.6Very low33.6Very low153 Ų153169.1 Ų169.182%0.81884%0.835SS**  cis-129.5156.64.2-98.2-56.5000110.3
203Q33.4Very low33.8Very low181 Ų181165.9 Ų165.985%0.84683%0.83SS**  trans-140.6158.5171-169.6177.810.300108.8
204S28.6Very low33.4Very low116 Ų116165.2 Ų165.281%0.81183%0.826SS**  trans75.2146.9-171.882.50000114.6
205S28.8Very low33.6Very low106 Ų106165.8 Ų165.874%0.74183%0.833SS**  cis-135.3149.2-6490000111.1
206F32.2Very low33.4Very low207 Ų207164 Ų16491%0.90883%0.828SS**  trans-101.2105171.5-132-88.2000107.4
207E29.7Very low32.9Very low173 Ų173157.6 Ų157.681%0.80882%0.82SS**  trans-98.3111.4-178.3-166151.4-126.300110.5Y209E207-Y209 PolarHBondContact O-N 3.48Å
208V35.7Very low32.5Very low123 Ų123156 Ų15675%0.74582%0.821SS**  trans-8299.9-172.3178.20000110.1K210V208-K210 PolarHBondContact O-N 2.91Å
209Y30.7Very low32.4Very low220 Ų220159.1 Ų159.186%0.86382%0.821SS**  trans-75.5113.8177-135.3-89.7000111.6E207E207-Y209 PolarHBondContact O-N 3.48Å
210K31Very low31.6Very low176 Ų176155.1 Ų155.177%0.76581%0.81SS**  trans-72.8134169.1-77-179.7174.9176.80110.2V208V208-K210 PolarHBondContact O-N 2.91Å
211P33.3Very low31.7Very low125 Ų125149.5 Ų149.581%0.81280%0.802SS**  trans-78.7128.5161.431.7-30.9000110.2
212Q31.9Very low31.4Very low181 Ų181150.7 Ų150.785%0.84680%0.8SS**  trans-140.2155.1158.4-100.2-135.1-40.600110.5
213P43.7Very low31.5Very low117 Ų117151.8 Ų151.876%0.7680%0.8SS**  trans-92.3124.6-145.232.9-35.1000114.4
214T31.8Very low31.1Very low133 Ų133153.7 Ų153.782%0.81680%0.799SS**  trans-95.2107.2160.830.40000110.8
215L32.8Very low31.4Very low169 Ų169153.1 Ų153.189%0.88579%0.79SS**  trans34.6111.6150-73.3150.1000118.1
216A31Very low31.4Very low99 Ų99154.6 Ų154.682%0.81879%0.79SS**  trans-57.1139.117300000113S218A216-S218 PolarHBondContact O-N 2.88Å; A216-S218 VanDerWaalsContact O-N 3.09Å
217S31Very low31.5Very low104 Ų104155.8 Ų155.873%0.72779%0.788SS**  trans-68.8100.4165.940.80000109.8W219S217-W219 PolarHBondContact O-N 2.89Å
218S28.4Very low31.3Very low112 Ų112151.6 Ų151.678%0.78379%0.792SS**  trans-67.3117.717654.20000110.5A216 K220A216-S218 PolarHBondContact O-N 2.88Å; A216-S218 VanDerWaalsContact O-N 3.09Å; S218-K220 PolarHBondContact O-N 2.97Å
219W30.2Very low31Very low240 Ų240149.2 Ų149.291%0.90979%0.792SS**  trans-69.1124.9172.2-68.425.8000108.4S217S217-W219 PolarHBondContact O-N 2.89Å
220K27.2Very low30.8Very low163 Ų163146 Ų14671%0.70979%0.785SS**  trans-127.293.6170.7-116.1-165.6175.5-157.60111.4S218 E222S218-K220 PolarHBondContact O-N 2.97Å; K220-E222 WeakPolarHBondContact CD-OE1 3.48Å; K220-E222 WeakPolarHBondContact CE-OE1 3.31Å; K220-E222 IonicContact NZ-OE1 3.84Å; K220-E222 PolarHBondContact NZ-OE1 3Å
221T32.3Very low30.8Very low120 Ų120145.5 Ų145.574%0.73678%0.783SS**  trans-76.3117.2159-58.10000108.2
222E26.3Very low30.6Very low147 Ų147144.2 Ų144.269%0.68778%0.777SS**  trans-121.689.8168.5-72.9-167.5-173.700110.8K220K220-E222 WeakPolarHBondContact CD-OE1 3.48Å; K220-E222 WeakPolarHBondContact CE-OE1 3.31Å; K220-E222 IonicContact NZ-OE1 3.84Å; K220-E222 PolarHBondContact NZ-OE1 3Å
223H31.3Very low30.7Very low176 Ų176142.8 Ų142.882%0.81577%0.773SS**  trans-78.2131.6148.9-80.3-82.3000108.3
224R25.6Very low30.1Very low220 Ų220145.4 Ų145.483%0.8378%0.775SS**  trans-142.8132148.8-136.1-174.6-161-75.82.8112.3
225V34.3Very low30Very low104 Ų104143.9 Ų143.963%0.6378%0.776SS**  trans-105.7142.6167.5169.80000108R227V225-R227 HydrophobicContact CG1-CG 4.14Å
226N29.2Very low30Very low138 Ų138142.8 Ų142.874%0.73877%0.77SS**  trans-163.6133.5136.9-96.5-4.1000106.5
227R33.9Very low30Very low232 Ų232145.2 Ų145.288%0.87577%0.77SS**  cis75.2139.134.3-76.9-160.4171.1-142.51.3115.7V225V225-R227 HydrophobicContact CG1-CG 4.14Å
228G25.6Very low30.2Very low85 Ų85147.7 Ų147.788%0.87677%0.769SS**  trans91.2122.1-164.600000109.6
229G28.2Very low30.3Very low73 Ų73150.6 Ų150.675%0.75377%0.771SS**  cis171.2163.83.800000105.8
230E27.8Very low30.2Very low151 Ų151144 Ų14471%0.70676%0.761SS**  cis-157.5172.212.4-46.5170.990.900109.2
231K31.5Very low30.4Very low167 Ų167141.6 Ų141.673%0.72676%0.764SS**  trans65.2155.1151.2-67.7153.9-166.8161.30118.4
232S28.5Very low30.3Very low98 Ų98143.4 Ų143.469%0.68577%0.768SS**  cis-167.6165.1-29.8-156.30000110.7
233I32.9Very low30.5Very low151 Ų151144.7 Ų144.777%0.77477%0.774SS**  trans73.1141.6158.8-70.7154.6000118.5
234E32.5Very low30.4Very low172 Ų172142.6 Ų142.680%0.80477%0.774SS**  trans-81.1159.2175.7-50.6107119.600114.2
235A28.2Very low30.6Very low100 Ų100139.3 Ų139.383%0.82677%0.772SS**  trans-144.5132.3147.100000109.6
236L34.8Very low30.5Very low147 Ų147142.9 Ų142.977%0.7778%0.781SS**  trans-72.1146.5164.1-126.269.7000108.5
237D29Very low30.5Very low150 Ų150144.3 Ų144.380%0.80279%0.788SS**  -158.9151.8113.1-119.2-22.1000113.3
238Q36.5Very low30.4Very low155 Ų155143.5 Ų143.572%0.72479%0.785SS**  trans-101.7154.6166.1-57.5175.29.300107.6
239H29.6Very low30.5Very low174 Ų174148.1 Ų148.181%0.80678%0.781SS**  trans177.6121.1135.1-95.1-60.8000113.8
240S29.4Very low30.4Very low101 Ų101153 Ų15371%0.70678%0.781SS**  trans39.2107.7145.956.20000122.4
241S31.6Very low30.5Very low112 Ų112150.2 Ų150.278%0.78378%0.778SS**  4.9138.1126.9-44.40000121.3
242I30.2Very low30.4Very low158 Ų158147.7 Ų147.781%0.8178%0.781SS**  trans-136.8132.3133-67.5-170.6000109.9
243H30.2Very low30.6Very low174 Ų174148 Ų14881%0.80678%0.783SS**  trans-92.3143.5162.5-92.6-98.8000109.9
244T28.3Very low30.7Very low133 Ų133146.1 Ų146.182%0.81678%0.784SS**  trans-127.1122.1168.2-46.60000110.6
245L29.2Very low31.4Very low150 Ų150143.8 Ų143.879%0.78578%0.784SS**  trans-91.7169.7-179-109.296.9000113.3
246H34.3Very low31.5Very low180 Ų180145.1 Ų145.183%0.83379%0.787SS**  trans-51.9154.3172.5-64-64.8000114.5
247L27.4Very low31.4Very low167 Ų167141.6 Ų141.687%0.87479%0.786SS**  trans-134.6149151.6-152.574.3000111.8
248R32Very low31.8Very low216 Ų216143.2 Ų143.282%0.81579%0.789SS**  trans-144.6127.9-167.8178.8-170.4-178.5-149.24.6111.2
249K27.9Very low31.9Very low181 Ų181142.3 Ų142.379%0.78779%0.794SS**  trans-138.4138.1168.6-63.8-178.2178.1179.10107.5
250K26.1Very low32.5Very low177 Ų177144.8 Ų144.877%0.7780%0.796SS**  cis72.212532.5-68.1-166.8172.8-174.30113.5
251S29.6Very low33.1Very low91 Ų91145.5 Ų145.564%0.63680%0.798SS**  cis-164.8165.2-2.2-75.70000111.5
252S30.6Very low33.5Very low114 Ų114146 Ų14680%0.79780%0.802SS**  trans60.9156147.844.90000119.3
253S33Very low34Very low104 Ų104149.4 Ų149.473%0.72780%0.804SS**  cis177.8157.9-8.946.90000106.3
254S33.8Very low34.5Very low112 Ų112146.5 Ų146.578%0.78380%0.801SS**  cis-172-160.3-8.2-82.50000104.8
255P47.5Very low35.3Very low124 Ų124145.5 Ų145.581%0.80580%0.795SS**  cis-134.4-145.7-7.445.6-25.4000113.2
256S30.4Very low35.8Very low128 Ų128145.8 Ų145.890%0.89580%0.795SS**  trans82.4148.4167.9-154.50000118.5
257G32.3Very low36.3Very low73 Ų73144.9 Ų144.975%0.75379%0.791SS**  trans95.293174.400000115.6
258E38.3Very low37.3Very low184 Ų184141.1 Ų141.186%0.8678%0.784SS**  trans-99.2110.8176.9178.8170.9-142.500112.2
259V39.1Very low38.1Very low136 Ų136136.8 Ų136.882%0.82478%0.784SS**  trans-143.3132.9161.3-177.40000109.6
260R42.2Very low39.3Very low226 Ų226135.1 Ų135.185%0.85378%0.782SS**PPolyproline II helixtrans-99.6128.2175-75.9-77.5-176.7118.72.2111.5
261P40.4Very low40Very low116 Ų116132.1 Ų132.175%0.75378%0.78SS**PPolyproline II helixtrans-103.8137.2147.833-27.4000110.7
262S40Very low40.9Very low122 Ų122133.5 Ų133.585%0.85379%0.789SS**PPolyproline II helixtrans-71.2144.2179.7-62.90000112.3
263R42.3Very low41.9Very low230 Ų230136.2 Ų136.287%0.86879%0.789SS**PPolyproline II helixtrans-76.4132.8170.1-68.8-175176.7-156-0.9110.3V265R263-V265 PolarHBondContact O-N 3.25Å
264P40.2Very low42.4Very low112 Ų112137.2 Ų137.273%0.72779%0.793SS**PPolyproline II helixtrans-69.7124.4161.629.2-31.7000109.4I266P264-I266 PolarHBondContact O-N 3.02Å
265V44.1Very low43.3Very low113 Ų113140.8 Ų140.869%0.68579%0.794SS**  trans-83.8104.6169.7177.70000107.7R263 H267R263-V265 PolarHBondContact O-N 3.25Å; V265-H267 PolarHBondContact O-N 2.75Å; V265-H267 VanDerWaalsContact O-N 3.12Å
266I39.9Very low43.1Very low155 Ų155140.9 Ų140.980%0.79580%0.795SS**  trans-78.197.9176.2-56.6177.8000108.2P264P264-I266 PolarHBondContact O-N 3.02Å
267H45.8Very low43.5Very low161 Ų161142.5 Ų142.575%0.74579%0.791SS**PPolyproline II helixtrans-70.5124.9167.6-75.9-92.8000109.8V265V265-H267 PolarHBondContact O-N 2.75Å; V265-H267 VanDerWaalsContact O-N 3.12Å
268A47.6Very low44Very low89 Ų89148.6 Ų148.674%0.73680%0.797SS**PPolyproline II helixtrans-71.7128.9167.300000109.4
269P49.3Very low44Very low124 Ų124146.1 Ų146.181%0.80580%0.8SS**PPolyproline II helixtrans-70.7137.2178.928.2-33.7000111.2
270I53Low43.7Very low147 Ų147142.7 Ų142.775%0.75479%0.793SS**PPolyproline II helixtrans-71136.8175.6-61.1170.9000109C272I270-C272 PolarHBondContact O-N 2.94Å
271P40.6Very low43.8Very low113 Ų113139 Ų13973%0.73480%0.795SS**  trans-63.1105.9174.4-23.134.5000112.1H273P271-H273 PolarHBondContact O-N 3.13Å
272C49.1Very low43.5Very low121 Ų121140.2 Ų140.282%0.81880%0.8SS**PPolyproline II helixtrans-76.6116.4173.8-70.80000110.7I270I270-C272 PolarHBondContact O-N 2.94Å
273H51.8Low43.5Very low171 Ų171139.9 Ų139.979%0.79280%0.798SS**PPolyproline II helixtrans-64139.3169.5-65.6-89.7000110.8P271 K275P271-H273 PolarHBondContact O-N 3.13Å; H273-K275 PolarHBondContact O-N 2.81Å
274P43Very low43.2Very low125 Ų125136.8 Ų136.881%0.81280%0.798SS**PPolyproline II helixtrans-65.9127.317527.6-33.7000110.2
275K52.1Low43.4Very low187 Ų187135.9 Ų135.981%0.81379%0.792SS**PPolyproline II helixtrans-83.8146.6172.6-68.5-179179.4177.40109.8H273 I277H273-K275 PolarHBondContact O-N 2.81Å; K275-I277 PolarHBondContact O-N 3.31Å
276P43.1Very low42.9Very low125 Ų125141.8 Ų141.881%0.81280%0.802SS**PPolyproline II helixtrans-63.2130.6176.626.5-34.1000110.6
277I40.2Very low43Very low162 Ų162140 Ų14083%0.83180%0.8SS**PPolyproline II helixtrans-72.8129.9175.6-58.2176000108K275K275-I277 PolarHBondContact O-N 3.31Å
278K41.8Very low42.4Very low202 Ų202140.5 Ų140.588%0.87881%0.808SS**PPolyproline II helixtrans-75.5127.5172.1-66.4-179.7177.8-177.70108.9G280K278-G280 PolarHBondContact O-N 3.22Å
279S38.8Very low41.7Very low131 Ų131142.4 Ų142.492%0.91682%0.816SS**  trans-64.499.2178.2-49.90000111.3
280G32.7Very low41.1Very low65 Ų65145.6 Ų145.667%0.6782%0.82SS**  trans-102.3122.8167.400000109.7K278 V282K278-G280 PolarHBondContact O-N 3.22Å; G280-V282 PolarHBondContact O-N 2.85Å
281T43.9Very low40.1Very low148 Ų148141.8 Ų141.891%0.90882%0.817SS**  trans-70.2121.6177.844.70000111.1
282V34.3Very low40.8Very low141 Ų141142.2 Ų142.286%0.85582%0.82SS**  trans-125.4128.7165.9177.50000107.5G280G280-V282 PolarHBondContact O-N 2.85Å
283S40.3Very low40.2Very low115 Ų115142 Ų14280%0.80481%0.811SS**PPolyproline II helixtrans-74.6142.8-170.2-48.40000112.9
284L36.2Very low39.6Very low165 Ų165145 Ų14586%0.86482%0.815SS**PPolyproline II helixtrans-81.9147.1161-75166.2000110
285P42.7Very low39.2Very low94 Ų94142.1 Ų142.161%0.6181%0.808SS**SBendtrans-79.5163174.133.8-35000112.1
286W35Very low39.2Very low237 Ų237139.7 Ų139.790%0.89881%0.812SS**  trans78.1114.2177.6-48.6113.8000115.8
287P42.3Very low38.8Very low116 Ų116143.1 Ų143.175%0.75382%0.819SS**  trans-86.4153.4-179.635.4-34.7000112.3
288L31.6Very low38.6Very low172 Ų172139.8 Ų139.890%0.90182%0.816SS**  trans-114.7134.4155.4-71.6172.8000107.8
289S32.7Very low38.3Very low130 Ų130134.5 Ų134.591%0.90981%0.81SS**  trans-69.9133.4-170.5-53.50000112.5
290E37.2Very low37.9Very low190 Ų190135.8 Ų135.889%0.88881%0.812SS**  trans-112.3132176.8-165.6159.9-137.200110.4
291G32.1Very low37.7Very low68 Ų68135.8 Ų135.870%0.70181%0.812SS**  trans-84.2144.2-178.900000112.5
292P55.2Low37.1Very low121 Ų121133.8 Ų133.879%0.78681%0.81SS**  trans-90.9-176.2-169.937.4-38.7000114.8
293N37.8Very low37.1Very low117 Ų117134.6 Ų134.663%0.62681%0.81SS**  trans77133170.8-79.1-15.5000117
294W38.2Very low37.6Very low234 Ų234134.6 Ų134.689%0.88681%0.807SS**  cis-135.2166-5.7-60.893000107
295G35.5Very low37.3Very low65 Ų65130.7 Ų130.767%0.6780%0.799SS**  cis135.1112.118.300000108.3
296P50.8Low36.8Very low135 Ų135133.3 Ų133.388%0.87781%0.807SS**  trans-92.3163.3-168.435.9-36.2000114.5
297M34.6Very low36.5Very low197 Ų197130 Ų13097%0.9780%0.801SS**  trans-125.8163.9173.6-113.3-167.7173.200113.9
298A36.8Very low36.3Very low93 Ų93131.9 Ų131.977%0.76981%0.805SS**  trans-51.8149.3-169.400000115.7
299A35.3Very low36.9Very low91 Ų91129 Ų12975%0.75280%0.796SS**  cis89158.630.400000115.4
300V30.2Very low37Very low157 Ų157127.9 Ų127.995%0.95279%0.789SS**  trans75134.1-163.5-170.10000112.9
301G29.1Very low36.7Very low65 Ų65131 Ų13167%0.6779%0.792SS**  cis171.1179.4-7.100000113.2
302A31.1Very low36.7Very low106 Ų106131.1 Ų131.188%0.87679%0.794SS**  trans71.5124.917200000120
303N34.1Very low36Very low159 Ų159131.8 Ų131.885%0.8580%0.798SS**  trans-83.2175.8151.1-70.2-60.8000108.6
304P51.7Low35.8Very low114 Ų114134.2 Ų134.274%0.7481%0.806SS**  cis-144.5178.51344.8-26.2000118
305A30.4Very low35.5Very low84 Ų84129.6 Ų129.669%0.69480%0.797SS**  trans72.4139.6137.800000124.2
306L30.9Very low35.3Very low148 Ų148131.7 Ų131.778%0.77580%0.802SS**  trans81.6143.6149.9-101.975.5000122.1
307Q29.9Very low34.3Very low168 Ų168135.6 Ų135.679%0.78580%0.799SS**  trans74.4105.3152.9-70.2174.295.500121.5
308N37.1Very low34.1Very low155 Ų155133.8 Ų133.883%0.82979%0.793SS**  trans-59.3150.5133.3-111.9-23000109
309P43.9Very low33.8Very low111 Ų111134.6 Ų134.672%0.72179%0.793SS**  -155.8167.77042.1-22.8000118.9
310S34.7Very low33.4Very low108 Ų108135.9 Ų135.976%0.75580%0.797SS**  trans41.8117.7140.2-1690000121.3
311R30.9Very low33.6Very low254 Ų254136.6 Ų136.696%0.95879%0.794SS**  -163.5149.5125.4-111.4172.5-175.6-160.90.9112
312G33.3Very low33.8Very low71 Ų71141.3 Ų141.373%0.73280%0.802SS**  trans-149.6168.916600000110.5
313P40.3Very low34.3Very low135 Ų135140.3 Ų140.388%0.87779%0.787SS**  trans-121.6178.6159.935.2-22.4000113.1
314H33.5Very low34.4Very low169 Ų169138.8 Ų138.878%0.78279%0.785SS**  trans-116.4153-158.3-110.8-115.5000114.4
315L31.7Very low33.4Very low136 Ų136139.9 Ų139.971%0.71278%0.784SS**  trans66.7157.2150.8-64.9163.5000117
316S30.8Very low33.5Very low110 Ų110141.5 Ų141.577%0.76979%0.79SS**  cis-133.6129.920.8-69.30000111.7
317R29.4Very low33.5Very low216 Ų216143.1 Ų143.182%0.81579%0.794SS**  61.8104.587.6-177.4-166.1-84.3-1280.2114.8
318L32Very low33.3Very low159 Ų159138.9 Ų138.983%0.83279%0.787SS**  -154.7143.8117.8-107.5172.8000109.8
319S30.7Very low33Very low111 Ų111138 Ų13878%0.77679%0.787SS**  trans-150.4137.9179.1-55.20000109.3
320S26.1Very low32.4Very low118 Ų118138.4 Ų138.483%0.82579%0.788SS**  trans-136.395.1176-65.20000110.1
321L34.6Very low32Very low172 Ų172142.9 Ų142.990%0.90179%0.788SS**  trans-114.6129.5164.6-79.4169.8000108
322I33.3Very low31.9Very low163 Ų163139.8 Ų139.884%0.83678%0.776SS**  trans-148.4159.7165.911.6178.2000108.3
323P40.2Very low31.8Very low85 Ų85143.8 Ų143.855%0.55278%0.776SS**  -137-172.9-11443.6-26.9000114I325P323-I325 HydrophobicContact CG-CD1 4.26Å; P323-I325 HydrophobicContact CG-CG1 4.05Å
324P36.6Very low31.2Very low127 Ų127142.7 Ų142.783%0.82576%0.763SS**  trans-87.8118.8151.732.6-28.1000110.6
325I30.7Very low31.2Very low138 Ų138144.1 Ų144.171%0.70877%0.767SS**  trans-96.9138.3169.1-79.4159.5000109.5P323P323-I325 HydrophobicContact CG-CD1 4.26Å; P323-I325 HydrophobicContact CG-CG1 4.05Å
326S31.9Very low31.1Very low117 Ų117140.9 Ų140.982%0.81877%0.767SS**  trans-115.4114171.7-63.90000111
327Q30.9Very low31.1Very low183 Ų183141.4 Ų141.486%0.85577%0.77SS**  trans-147.3153.2158.8-65.7-1713.700108.2
328A27.2Very low31Very low78 Ų78136.8 Ų136.865%0.64577%0.771SS**  cis163.9151.9-33.900000106.6
329T30.4Very low30.7Very low137 Ų137139.6 Ų139.684%0.8477%0.771SS**  trans70.2149.8-177.983.70000114.2
330T30.6Very low30.7Very low119 Ų119141.5 Ų141.573%0.7377%0.767SS**  cis-133.415010.649.60000115.2
331R26.5Very low30.6Very low202 Ų202140.8 Ų140.876%0.76276%0.762SS**  trans82.3117.9139.6-89.2-177.6175.4-168.50122.2
332R29Very low30.3Very low189 Ų189141.2 Ų141.271%0.71376%0.76SS**  trans81.7113139.1-60.4-128.1-104.6-132.51.4116.2
333H32.2Very low30.2Very low155 Ų155141.7 Ų141.772%0.71876%0.756SS**  74134.292.1-77-85.9000111.4
334D27.3Very low29.8Very low112 Ų112146.4 Ų146.460%0.59977%0.77SS**  cis-156.9156.615.8-114.5-32000112.8
335F33.2Very low29.4Very low200 Ų200146 Ų14688%0.87777%0.771SS**  trans53156.3170.2-60.7-70.2000118.3
336G28.7Very low29.7Very low68 Ų68145.7 Ų145.770%0.70178%0.775SS**  cis179.8139.2-5.400000109.6
337S31.4Very low29.9Very low121 Ų121145.7 Ų145.785%0.84677%0.773SS**  trans-61.9144.7-178.4530000114
338S26.9Very low30.1Very low119 Ų119145.7 Ų145.783%0.83277%0.773SS**  -165.7175.1102.9-153.60000113.1
339W26.1Very low30.8Very low218 Ų218147.6 Ų147.683%0.82678%0.778SS**  trans-109.7166.8-171-110.436.1000113
340Q30.1Very low31.3Very low150 Ų150146.8 Ų146.870%0.70178%0.775SS**  trans73.6127.7149.9-78.7178-3.900122.1
341S26Very low31.5Very low104 Ų104150.8 Ų150.873%0.72778%0.783SS**  56127.4129.2-55.60000121.3
342Q27.8Very low31.9Very low180 Ų180149.9 Ų149.984%0.84179%0.787SS**  161.3135.9102.1-173.2145-72.200113.1
343K30.3Very low32.6Very low173 Ų173146.7 Ų146.775%0.75279%0.791SS**  trans-14.3148.8165.7-60.5173.2-179.7175.30120.5
344Q31.2Very low32.8Very low184 Ų184144.7 Ų144.786%0.8679%0.79SS**  trans66.9116.7147-71.9165.4-46.100119.6
345S29.3Very low33.1Very low119 Ų119145.7 Ų145.783%0.83280%0.8SS**  -173.8162.2117-165.50000111.5
346T36.8Very low33.2Very low131 Ų131141 Ų14180%0.80479%0.787SS**  trans-112.1125.8176.5-55.30000110.6
347P36.7Very low33.2Very low118 Ų118146.8 Ų146.877%0.76679%0.794SS**PPolyproline II helixtrans-96.5148.9165.5-4.124.3000112.8
348Q34.9Very low33.4Very low182 Ų182146.7 Ų146.785%0.8579%0.788SS**PPolyproline II helixtrans-82.4160168.4-84.8-166.7-1000112.5
349P41.3Very low33.7Very low118 Ų118150.5 Ų150.577%0.76679%0.79SS**PPolyproline II helixtrans-81.3142.7178.232.9-35.2000113.3
350P40.5Very low33.9Very low120 Ų120150.8 Ų150.878%0.77979%0.791SS**PPolyproline II helixtrans-88.7123.4171.233-31.5000113.2
351K35.4Very low33.9Very low203 Ų203154.8 Ų154.888%0.88380%0.799SS**  trans27125.5143.4-58.7179.1-178.7179.10120.2
352E34Very low34.2Very low183 Ų183157 Ų15786%0.85580%0.8SS**  trans-71.6161.3165.3-52.3171.9138.500113.1
353P45.7Very low35Very low123 Ų123153.3 Ų153.380%0.79979%0.792SS**  trans-101.6115.7148.633.5-26000111.6
354T34.9Very low35.1Very low113 Ų113154.4 Ų154.469%0.69380%0.8SS**  trans-40.4136.6173-52.20000116.2V356T354-V356 HydrophobicContact CG2-CG2 3.64Å
355V33.2Very low35Very low133 Ų133153.1 Ų153.181%0.80680%0.798SS**  trans-129.1127.6148.3179.80000108.5
356V35.7Very low35.3Very low101 Ų101153.9 Ų153.961%0.61279%0.792SS**  trans-93.3128.7-173.6-179.70000111.1T354 T358T354-V356 HydrophobicContact CG2-CG2 3.64Å; V356-T358 HydrophobicContact CG1-CG2 3.92Å
357F29.1Very low35.1Very low190 Ų190154.8 Ų154.883%0.83379%0.787SS**  trans-131.8108.5157.1-97.6-84.3000110.2
358T36.7Very low34.9Very low118 Ų118155.2 Ų155.272%0.72478%0.783SS**  trans-85.6122.5177.9500000111V356V356-T358 HydrophobicContact CG1-CG2 3.92Å
359F31.7Very low34.6Very low200 Ų200155 Ų15588%0.87778%0.782SS**  trans-118.5133.6157.8-92.3-83.1000111.1R361F359-R361 PolarHBondContact O-N 3.33Å
360R31.6Very low34.2Very low224 Ų224154.4 Ų154.485%0.84578%0.776SS**PPolyproline II helixtrans-73118.1-169.1179-175.2-73.1-169.7-3.9110.7M362R360-M362 PolarHBondContact O-N 3.41Å
361R29Very low33.6Very low233 Ų233158 Ų15888%0.87978%0.779SS**PPolyproline II helixtrans-67.4126.4163.9-177.8-178.8-66.4-179.1-0.4108.7F359F359-R361 PolarHBondContact O-N 3.33Å
362M32Very low33.5Very low150 Ų150153 Ų15374%0.73978%0.776SS**PPolyproline II helixtrans-80.1141.3166-73.7-64.8-6900109.5R360R360-M362 PolarHBondContact O-N 3.41Å
363P45.8Very low33.5Very low103 Ų103154.8 Ų154.867%0.66978%0.775SS**PPolyproline II helixtrans-80.6148.6179.933.6-35.2000111.9
364E30.7Very low32.8Very low197 Ų197154 Ų15492%0.92176%0.761SS**PPolyproline II helixtrans-66145.7153.4-65.2153.8134.400108.2
365N30.9Very low32.8Very low156 Ų156156.1 Ų156.183%0.83476%0.76SS**  trans-141.2160173.6-158.517.6000112.2
366I34.9Very low32.8Very low136 Ų136158.3 Ų158.370%0.69776%0.759SS**  trans-102154.5-160.2-75162.7000111.4
367E31.7Very low32.4Very low149 Ų149161 Ų16170%0.69677%0.765SS**  trans20.6136.3159.1-71.6-174.697.100123.2
368N33.2Very low32.4Very low128 Ų128156.8 Ų156.868%0.68476%0.759SS**  trans50.9120.2131.6-44-18000120.5
369E29.1Very low33.3Very low177 Ų177156.4 Ų156.483%0.82776%0.758SS**  -167.5175.4107-108.2-135.5112.300113.1
370T31.7Very low34.5Very low105 Ų105152.5 Ų152.564%0.64475%0.753SS**  trans-125143.5-174.660.30000112.6
371K28.9Very low34.5Very low195 Ų195147.4 Ų147.485%0.84875%0.752SS**  172.9173128.7-92.1149.9-166.71540112.9
372A33.1Very low34.7Very low98 Ų98145.7 Ų145.781%0.8175%0.751SS**  trans-125-155.6-166.200000112.7
373R33.5Very low34.7Very low222 Ų222144.2 Ų144.284%0.83875%0.75SS**  trans86147.3178.9-84.4-167.9163.2-161.3-0.5116.4
374E32.2Very low33.8Very low107 Ų107147.5 Ų147.550%0.576%0.757SS.*  cis-142.8141.60.7-80.9-139.4136.500115
375K34.9Very low34Very low157 Ų157147.2 Ų147.268%0.68375%0.753SS**  trans57.5163131.8-62.1179.7-171.6145.60125.2
376K32.5Very low33.8Very low178 Ų178145.8 Ų145.877%0.77475%0.749SS**  trans74.6137.4172-81-179.8166-94.30115.6
377E27.5Very low33.6Very low157 Ų157145 Ų14573%0.73476%0.756SS**  cis-154.4174.3-6.7-150.2152.1164.900110.5
378S29.8Very low33.5Very low103 Ų103140.9 Ų140.972%0.7275%0.754SS**  trans-161.7-173.4-17771.90000110.4
379P54.7Low33.3Very low109 Ų109143.7 Ų143.771%0.70876%0.762SS**  cis-130.2-130.2-1039.1-16.4000109.2
380P57.3Low33.3Very low118 Ų118143 Ų14377%0.76676%0.759SS**  cis-130.4171.2-31.435.4-17.5000116.4
381S30.6Very low33.4Very low117 Ų117143.3 Ų143.382%0.81876%0.756SS**  trans-136.5-161.4162.871.80000112.3
382K32.8Very low33.7Very low197 Ų197145.1 Ų145.186%0.85776%0.758SS**  trans-152.7163.4-163.7-68.2177.7-176.5173.40111.5
383T32.7Very low34Very low119 Ų119148.9 Ų148.973%0.7376%0.759SS**  cis-174166.6-24-79.30000107.5
384Q27Very low34.1Very low172 Ų172143.3 Ų143.380%0.80475%0.754SS**  trans82.5121.7161.9-133.8159-28.200115.5
385K34.3Very low34.1Very low191 Ų191144 Ų14483%0.8377%0.77SS**  cis74.3138.841.2-65.1-164.5173.2-172.40113.1
386V28.5Very low34.2Very low126 Ų126144.7 Ų144.776%0.76478%0.781SS**  cis-163.6168.26.7106.80000111.7
387S30Very low34.7Very low121 Ų121138.6 Ų138.685%0.84677%0.769SS**  trans73149.6167.3-139.10000117.5
388G30Very low35.5Very low62 Ų62137.5 Ų137.564%0.63978%0.776SS**  cis-179.9-178.4-2.500000114.1
389E28.1Very low36.5Very low186 Ų186139.8 Ų139.887%0.86978%0.779SS**  trans-45.2164.4173.4-82.7144.8124.200117.2
390E29.5Very low36.1Very low162 Ų162140.7 Ų140.776%0.75778%0.778SS**  cis-166.2161.21.9150.4178-151.200111.8
391L32.9Very low35.4Very low113 Ų113142.1 Ų142.159%0.59278%0.779SS**  trans20.4114.7155.3-171.775.7000121.2
392R36.9Very low35.9Very low232 Ų232141.7 Ų141.788%0.87578%0.775SS**  -147.1147128.1-90.6-46.6-163.5-125.24.9112.1
393E38.6Very low36Very low177 Ų177139.4 Ų139.483%0.82777%0.773SS**  trans-119.3129-177.6176178.5-162.900108.6
394S35.9Very low36.1Very low105 Ų105144.8 Ų144.873%0.73478%0.779SS**  trans-160.6110.3173.360.10000114.3
395S30.8Very low36.5Very low121 Ų121140.4 Ų140.485%0.84677%0.773SS**  trans61.9120.4137.4-52.10000121.7
396D38.6Very low36.5Very low172 Ų172140.3 Ų140.392%0.9277%0.773SS**  trans-68.2156.7160.7-173.913.7000112.3
397G42.1Very low36.7Very low50 Ų50140.8 Ų140.852%0.51578%0.776SS.*  trans172.4129.9-179.900000113.1
398P44.4Very low37Very low134 Ų134144.3 Ų144.387%0.8778%0.776SS**  trans-77.2139.1-170.730.2-35.3000113.8
399L49.8Very low37.6Very low152 Ų152146.6 Ų146.680%0.79678%0.779SS**  trans-79.5115.8177.5-120.769.5000111.8L401L399-L401 HydrophobicContact CD2-CD1 4.16Å; L399-L401 HydrophobicContact CD2-CD2 4.48Å; L399-L401 HydrophobicContact CD2-CG 4.32Å
400D47Very low37.6Very low127 Ų127145.3 Ų145.368%0.67978%0.778SS**  trans-85.1138.7156.7-176.99000109.1S402D400-S402 WeakPolarHBondContact OD1-CB 3.13Å; D400-S402 PolarHBondContact OD1-N 2.88Å; D400-S402 VanDerWaalsContact OD1-N 3.08Å; D400-S402 PolarHBondContact OD1-OG 3.28Å
401L43.7Very low37.8Very low149 Ų149146.1 Ų146.178%0.7878%0.782SS**  trans-138.746.3179.4-71.7-179.6000111.4L399 D403L399-L401 HydrophobicContact CD2-CD1 4.16Å; L399-L401 HydrophobicContact CD2-CD2 4.48Å; L399-L401 HydrophobicContact CD2-CG 4.32Å; L401-D403 PolarHBondContact O-N 2.97Å
402S39.4Very low38.5Very low107 Ų107146.2 Ų146.275%0.74879%0.79SS**  trans-84.374.4174.7-59.30000112.6D400D400-S402 WeakPolarHBondContact OD1-CB 3.13Å; D400-S402 PolarHBondContact OD1-N 2.88Å; D400-S402 VanDerWaalsContact OD1-N 3.08Å; D400-S402 PolarHBondContact OD1-OG 3.28Å
403D36Very low37.9Very low150 Ų150138.6 Ų138.680%0.80278%0.783SS**  trans-149.9123.5173.3-161.70.2000114.8L401L401-D403 PolarHBondContact O-N 2.97Å
404R35.3Very low37.5Very low231 Ų231136.5 Ų136.587%0.87278%0.778SS**  -175.4107.4127.3-163.1155.9-177.2122.2-10.3112
405A34.6Very low37.2Very low81 Ų81137.7 Ų137.767%0.66978%0.776SS**  trans-87.7157.1173.200000114
406K34.7Very low37.1Very low189 Ų189139.3 Ų139.382%0.82278%0.775SS**  trans155.2141.7158.7-89.9158.3-173.1-172.20109.2
407T33.3Very low37Very low135 Ų135136.3 Ų136.383%0.82877%0.767SS**  cis-156.6160.8-5.6-0.50000109.7
408K35.2Very low37.9Very low196 Ų196139.2 Ų139.285%0.85278%0.777SS**  trans-108.3158.1167.8-120177.4-176.9-178.40108.9
409P42.8Very low37.1Very low109 Ų109140.8 Ų140.871%0.70878%0.776SS**  -151.7166.294.740.4-23000117.6
410N29.1Very low36.2Very low159 Ų159137.9 Ų137.985%0.8578%0.775SS**  trans78151.3153.4-61.8-8.1000122.7
411Q32.6Very low35.4Very low179 Ų179140.2 Ų140.284%0.83679%0.786SS**  trans-133.6-174.6-178.6-107.1-132-15.800106.6
412P46.8Very low35Very low116 Ų116141.5 Ų141.575%0.75379%0.788SS**  cis-134.4-164.716.843.2-24.1000114.4
413G25.6Very low34.3Very low71 Ų71142.9 Ų142.973%0.73280%0.796SS**  trans159.291.9166.900000115.4
414N29.4Very low34.1Very low134 Ų134145.4 Ų145.472%0.71780%0.803SS**  trans-69.9152.7-174.5-90.346.8000117.5
415D29.9Very low33.7Very low129 Ų129138 Ų13869%0.6980%0.799SS**  trans71.4148.5134.5-54.3-19.8000125.5
416D28.5Very low33.5Very low155 Ų155141.7 Ų141.783%0.82981%0.808SS**  trans78.9144.7152.1-69.3-20000125.7
417S37.8Very low33.3Very low109 Ų109138.4 Ų138.476%0.76280%0.804SS**  trans-151175.8170.1-63.40000105.3
418P59.6Low33.2Very low112 Ų112139.5 Ų139.573%0.72780%0.799SS**  cis-127.8-163.9-4.642.2-26000111.4
419I29Very low32.9Very low166 Ų166141 Ų14185%0.85180%0.799SS**  -177.1155126.5-96.8160.2000109.7
420A30.1Very low32.3Very low92 Ų92139.9 Ų139.976%0.7679%0.794SS**  trans-113.6162.9179.700000111.9
421L30.2Very low33.2Very low175 Ų175138.3 Ų138.392%0.91679%0.793SS**  trans-151.4156.1160.4-111.7172.4000111.2
422Q34.4Very low33.2Very low176 Ų176136 Ų13682%0.82279%0.786SS**  trans-116.6161.6-179.4-60.7175.8-200110.6
423C25.9Very low32.8Very low136 Ų136140.1 Ų140.192%0.91979%0.787SS**  trans-158.1159.2148.1-102.70000111.3
424E31.4Very low33.1Very low203 Ų203142.8 Ų142.895%0.94978%0.784SS**  trans-103.8176.4-170.1-59.5175.7111.600113.4
425G27.4Very low33.3Very low77 Ų77141.5 Ų141.579%0.79478%0.781SS**  trans173.4106.6169.300000114.3
426D29.7Very low33.4Very low158 Ų158141.7 Ų141.785%0.84578%0.782SS**  trans-76.8164.1-178.2-82.6-64.4000115.8
427T30Very low33.5Very low120 Ų120140.5 Ų140.574%0.73678%0.781SS**  160.7118.2117.5-700000114.7
428Q32.3Very low33.2Very low158 Ų158139.6 Ų139.674%0.73878%0.78SS**  trans46161.2149.2-61.8-169.96.200121
429R28.4Very low31.7Very low226 Ų226142.1 Ų142.185%0.85379%0.785SS**  cis-158.7169.618.8-142.1166.7-150.6-125.84.8112
430S30.6Very low32.5Very low86 Ų86139.2 Ų139.260%0.60178%0.777SS**  trans-76.3169.8178.4-150.10000113.8D432S430-D432 PolarHBondContact OG-OD2 2.72Å
431P48.5Very low32.4Very low126 Ų126140.5 Ų140.582%0.81878%0.776SS**  -147.4165.781.941.8-25.1000118.2
432D31.8Very low32.2Very low130 Ų130138 Ų13870%0.69577%0.773SS**  trans-100178.4175.1-43.5-124.3000110.5S430S430-D432 PolarHBondContact OG-OD2 2.72Å
433R37.6Very low31.9Very low203 Ų203135 Ų13577%0.76677%0.771SS**  cis-170.9170.62.2-143.3176.3141.8163.1-0.9110.9
434N32.8Very low32.7Very low127 Ų127134.1 Ų134.168%0.67976%0.764SS**  trans67.6157.1147.4-8516.8000118.4
435V33.3Very low32.6Very low107 Ų107130.1 Ų130.165%0.64876%0.758SS**  cis-160.3154.1-7.6104.30000113.8
436N31.8Very low32.6Very low133 Ų133133.9 Ų133.971%0.71176%0.76SS**  trans57.6118.6154.8-65.9-0.5000126.3
437T31.9Very low32.5Very low130 Ų130133 Ų13380%0.79875%0.753SS**  67.4109.5115.5-47.10000123.1
438A30.7Very low32.4Very low91 Ų91133.2 Ų133.275%0.75276%0.76SS**  -171161.4127.800000112.5
439I29Very low32.3Very low164 Ų164132.5 Ų132.584%0.84176%0.76SS**  trans-154.4172179.12.1172.8000107.6
440P45.7Very low32.6Very low105 Ų105128 Ų12868%0.68276%0.76SS**  cis-145.8-169.30.746-26.7000118.1
441V27.2Very low32.4Very low120 Ų120128.6 Ų128.673%0.72777%0.765SS**  trans67.2129.8152.9178.20000120.9
442S25.7Very low31.5Very low123 Ų123128.1 Ų128.186%0.8676%0.764SS**  trans-129.7145.7148.5-66.80000109.8
443S27.7Very low31.3Very low111 Ų111126.8 Ų126.878%0.77677%0.765SS**  trans-141.6135.5172.5-65.10000110.4
444P43Very low30.9Very low118 Ų118122.2 Ų122.277%0.76676%0.764SS**  trans-128.4164.9174.640.6-29000116
445S28.7Very low30.9Very low120 Ų120121.3 Ų121.384%0.83977%0.768SS**  trans86.3130.8154.3-55.10000120
446L27.2Very low30.7Very low156 Ų156122.7 Ų122.782%0.81778%0.777SS**  trans-124.3135.8169.5-75.2170.6000110.7
447I28.2Very low30.8Very low138 Ų138122.5 Ų122.571%0.70878%0.782SS**  trans44.5120.4137.1-52.9172.7000119.1
448S27.3Very low30.6Very low126 Ų126122 Ų12288%0.88177%0.774SS**  trans-154.4145.7132.4-82.20000111
449L30.4Very low30.6Very low143 Ų143126.3 Ų126.375%0.74978%0.776SS**  trans-104168.7-177.6-74.9153.1000110.6
450P35.9Very low30.5Very low130 Ų130125.5 Ų125.584%0.84477%0.768SS**  -136.3156.994.137.2-25.8000114.9
451S26.9Very low29.7Very low100 Ų100129.1 Ų129.170%0.69978%0.776SS**  trans-89163.7-177.7-44.60000113.3
452S28Very low29.6Very low115 Ų115132.5 Ų132.580%0.80478%0.784SS**  trans-165.8133.8131.2-82.50000115
453S28.7Very low29.7Very low103 Ų103134.4 Ų134.472%0.7278%0.779SS**  trans49.296.714960.80000122.4
454S29.5Very low29.6Very low107 Ų107137.5 Ų137.575%0.74879%0.786SS**  -7158.7114.156.50000119.2
455S31.4Very low28.8Very low107 Ų107138.3 Ų138.375%0.74878%0.783SS**  cis174.5154.2-13.755.50000109.5
456T30.2Very low28.6Very low137 Ų137137.4 Ų137.484%0.8478%0.776SS**  trans-137.2150.7157.1450000111.7
457P34Very low28.5Very low128 Ų128135.5 Ų135.583%0.83177%0.767SS**  trans-93.2167.5-16736.6-37000115.2
458I28.4Very low28.6Very low121 Ų121138 Ų13862%0.62178%0.775SS**  trans-95147.6173.7-65.4156.8000109.8
459K28.8Very low28.7Very low181 Ų181138.7 Ų138.779%0.78777%0.769SS**  trans174.7156.2141.2-96.3-155.8-178.7-147.40109.1
460Q28.3Very low28.7Very low147 Ų147140.9 Ų140.969%0.68778%0.775SS**  cis-169152.8-31.1-128.2-177.8-51.800105
461E27.3Very low28.3Very low180 Ų180142.4 Ų142.484%0.84177%0.771SS**  trans-68.3158.2173-64.9123.3112.600112.8
462Q26.4Very low28.3Very low192 Ų192143.4 Ų143.490%0.89777%0.772SS**  trans-146.1127142.2-167.3157.4-1.900109.6
463E27.7Very low28.3Very low163 Ų163146.5 Ų146.576%0.76277%0.774SS**  trans-76162.1175.5-64176.8108.400111.6
464L24.5Very low28.3Very low175 Ų175149 Ų14992%0.91678%0.78SS**  trans-143138.4154.4-150116.2000109.6
465I27.6Very low28.5Very low136 Ų136152 Ų15270%0.69778%0.782SS**  trans-116.5141.5-174.6-60167.2000108.1
466S24.2Very low28.5Very low100 Ų100153.7 Ų153.770%0.69978%0.782SS**  trans-166.9122.1143.9-112.80000112.2
467D24.8Very low28.6Very low117 Ų117156 Ų15663%0.62678%0.781SS**  trans43.4123.8132.8-46.3-61.4000121.5
468H30.1Very low28.4Very low189 Ų189158 Ų15888%0.87578%0.776SS**  -146.5132.6120.9-106.950.3000109.2
469N28.7Very low28.4Very low141 Ų141158.5 Ų158.575%0.75478%0.776SS**  trans-100.2149.6171-73-64.9000109.5
470H31.8Very low28.3Very low189 Ų189158 Ų15888%0.87578%0.777SS**  trans-150.6152.4149.7-114.4-68.2000112.3
471E26.6Very low28.5Very low162 Ų162154.9 Ų154.976%0.75778%0.776SS**  trans-78.3160.1-165.8-88.3175.294.300117.2
472V28.1Very low28.4Very low121 Ų121152.6 Ų152.673%0.73377%0.77SS**  trans56.3113138.7177.20000118.8
473E27.3Very low28.6Very low180 Ų180148.1 Ų148.184%0.84175%0.752SS**  -152.8146.7102.3-112.6-166.3147.200111
474D29.6Very low28.8Very low157 Ų157148.4 Ų148.484%0.8475%0.751SS**  trans-129.2129.8-178.9-160-0.7000108.3
475Q31.9Very low29Very low168 Ų168145.6 Ų145.679%0.78574%0.741SS**  trans-154.9113.3179.7-162.3154.2111.700114.6
476D32.3Very low29.1Very low143 Ų143147.6 Ų147.677%0.76575%0.747SS**  trans-57.3144.1172.9-83.9-60.9000114.9
477K31.3Very low29.5Very low186 Ų186151.1 Ų151.181%0.80975%0.753SS**  -175.7141.6107-97146.6-165158.20115.2
478K30.7Very low29.9Very low169 Ų169152.4 Ų152.474%0.73577%0.765SS**  22.8146.5128.2-75.5-178.3154-141.70119.3
479E27.7Very low30Very low132 Ų132151.6 Ų151.662%0.61777%0.767SS**  cis-159-173.725.8-141.7144.8-154.200114
480E28.2Very low30.2Very low171 Ų171147.8 Ų147.880%0.79976%0.761SS**  trans-30.2161.3166.5-69.3172.993.800118.4
481A30.9Very low30.7Very low82 Ų82148.9 Ų148.968%0.67876%0.763SS**  cis-171.5-160-14.700000106.8
482N26.1Very low31.1Very low132 Ų132151 Ų15171%0.70677%0.77SS**  cis-160.2-175.83.2-157.617.7000111.9
483D29.8Very low31.5Very low98 Ų98150.8 Ų150.852%0.52477%0.769SS.*  trans65.293.8150.9-76.6-44.4000122.6
484K32.5Very low32.2Very low168 Ų168147.7 Ų147.773%0.7376%0.764SS**  59.7124.4112.7-67.7-174.2-166.299.10122.3
485T29.1Very low32.3Very low117 Ų117145.4 Ų145.472%0.71876%0.755SS**  75.6138.3129.6-58.40000117.5
486E28.5Very low32.6Very low177 Ų177144.6 Ų144.683%0.82776%0.756SS**  cis-141.2-164.46.7-149.1150.4-128.600113.9
487Q33.7Very low32.9Very low175 Ų175143.7 Ų143.782%0.81876%0.756SS**  trans-82.8147.6-172.8-51.1169.517.500113.8
488T33Very low33.2Very low143 Ų143142.2 Ų142.288%0.87776%0.756SS**  trans-146.9158.9145.732.70000111.2
489N32.5Very low33.6Very low173 Ų173139.2 Ų139.293%0.92576%0.756SS**  trans-82140.6-167.2-70.2-76.5000114
490G32Very low34.6Very low60 Ų60141 Ų14162%0.61977%0.769SS**  trans-169.6125.6171.300000113.6K492G490-K492 PolarHBondContact O-N 3.28Å
491K43Very low35.6Very low213 Ų213142.2 Ų142.293%0.92677%0.766SS**  trans-71.8107180-65.6169.6-178.1172.60110.1V493K491-V493 PolarHBondContact O-N 2.8Å
492K34.3Very low36.5Very low205 Ų205144.3 Ų144.389%0.89177%0.773SS**  trans-84.8102.2-178.4-66.9-175.9-179.2179.40111.9G490G490-K492 PolarHBondContact O-N 3.28Å
493V37.8Very low37.3Very low118 Ų118141.5 Ų141.572%0.71577%0.768SS**  trans-87.7127.8158.6178.70000107.8K491 V495K491-V493 PolarHBondContact O-N 2.8Å; V493-V495 VanDerWaalsContact C-N 3.3Å; V493-V495 HydrophobicContact CG1-CG2 4.19Å; V493-V495 PolarHBondContact O-N 3.36Å
494P40.6Very low38.1Very low115 Ų115142.4 Ų142.475%0.74777%0.772SS**  trans-76.878.9178.231.6-34.6000111.1L496P494-L496 PolarHBondContact O-N 3.04Å
495V32.8Very low38.9Very low108 Ų108139.3 Ų139.366%0.65577%0.767SS**  trans-75.2101.9167.3-176.60000108.3V493 T497V493-V495 VanDerWaalsContact C-N 3.3Å; V493-V495 HydrophobicContact CG1-CG2 4.19Å; V493-V495 PolarHBondContact O-N 3.36Å; V495-T497 VanDerWaalsContact C-N 3.3Å; V495-T497 HydrophobicContact CG1-CG2 4.05Å; V495-T497 PolarHBondContact O-N 3Å
496L36.9Very low39.7Very low152 Ų152143.6 Ų143.680%0.79677%0.77SS**  trans-73.680.3176.4-68.1175.3000110.9P494 L498P494-L496 PolarHBondContact O-N 3.04Å; L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 3.25Å
497T39.7Very low40.7Very low124 Ų124140.9 Ų140.976%0.76176%0.76SS**  trans-71.283.2168.952.70000110.3V495 S499V495-T497 VanDerWaalsContact C-N 3.3Å; V495-T497 HydrophobicContact CG1-CG2 4.05Å; V495-T497 PolarHBondContact O-N 3Å; T497-S499 PolarHBondContact O-N 2.89Å; T497-S499 VanDerWaalsContact O-N 3.11Å
498L38.3Very low41.6Very low154 Ų154138.8 Ų138.881%0.80675%0.751SS**  trans-63.4110171.2-71.4172.1000109.8L496 L500L496-L498 VanDerWaalsContact C-N 3.29Å; L496-L498 PolarHBondContact O-N 3.25Å; L498-L500 PolarHBondContact O-N 3.48Å; L498-L500 VanDerWaalsContact O-N 3.08Å
499S38.9Very low42.6Very low106 Ų106135.9 Ų135.974%0.74173%0.733SS**  trans-71.6100.2-175.8-175.10000111.7T497 R501T497-S499 PolarHBondContact O-N 2.89Å; T497-S499 VanDerWaalsContact O-N 3.11Å; S499-R501 PolarHBondContact O-N 3Å
500L47.2Very low43.4Very low170 Ų170133.3 Ų133.389%0.8972%0.719SS**  trans-80.967.6174.2-71.5177000112.3L498L498-L500 PolarHBondContact O-N 3.48Å; L498-L500 VanDerWaalsContact O-N 3.08Å
501R49.9Very low44.4Very low197 Ų197134.4 Ų134.474%0.74371%0.713SS**  trans-134.9111.3156.1-66-172.4179.9-168.30.9107.2S499S499-R501 PolarHBondContact O-N 3Å
502P50.4Low45Very low126 Ų126127 Ų12782%0.81869%0.688SS**SBend-141.895.881.635.2-18000113.7
503A42.3Very low45.8Very low73 Ų73120 Ų12060%0.60367%0.668SS**SBendtrans-120.6-42.2173.300000113.4V505 R506A503-V505 PolarHBondContact O-N 2.99Å; A503-R506 PolarHBondContact O-N 2.97Å
504L47.4Very low46.3Very low117 Ų117120.1 Ų120.161%0.61367%0.665SS**THydrogen-bonded Turntrans-62.8-37.7-171.7-63.1172.9000113.8R506 L507 E508L504-R506 PolarHBondContact O-N 3.35Å; L504-R506 VanDerWaalsContact O-N 3.14Å; L504-L507 PolarHBondContact O-N 3.33Å; L504-E508 PolarHBondContact O-N 2.88Å
505V49.2Very low46.8Very low102 Ų102121.5 Ų121.562%0.61866%0.661SS**Hα-helixtrans-60.4-27.2-177.8-174.90000112.7A503 T509A503-V505 PolarHBondContact O-N 2.99Å; V505-T509 WeakPolarHBondContact O-CG2 3.32Å; V505-T509 PolarHBondContact O-N 3.43Å; V505-T509 PolarHBondContact O-OG1 3.04Å
506R46.4Very low47.5Very low208 Ų208123.2 Ų123.279%0.78566%0.66SS**Hα-helixtrans-82.7-13.7177.4-80.1-172.1173.7172.9-0.8114.4A503 L504 T509 L510A503-R506 PolarHBondContact O-N 2.97Å; L504-R506 PolarHBondContact O-N 3.35Å; L504-R506 VanDerWaalsContact O-N 3.14Å; R506-T509 WeakPolarHBondContact CA-OG1 3.3Å; R506-T509 PolarHBondContact O-OG1 3.39Å; R506-L510 WeakPolarHBondContact O-CD1 3.33Å; R506-L510 WeakPolarHBondContact O-CG 3.46Å
507L48.9Very low47.8Very low119 Ų119123.3 Ų123.362%0.62366%0.656SS**Hα-helixtrans-90.4-42.4174.9-167.563.9000110.9L504 T509 L510 T511L504-L507 PolarHBondContact O-N 3.33Å; L507-T509 VanDerWaalsContact C-N 3.31Å; L507-T509 PolarHBondContact O-N 2.94Å; L507-L510 PolarHBondContact O-N 3.03Å; L507-L510 VanDerWaalsContact O-N 3.15Å; L507-T511 PolarHBondContact O-N 2.77Å; L507-T511 PolarHBondContact O-OG1 3.09Å
508E52.8Low47.9Very low132 Ų132124.8 Ų124.862%0.61766%0.655SS**Hα-helixtrans-67.2-28.7-179.9-168.2165.7-13200113.3L504 T511 S512L504-E508 PolarHBondContact O-N 2.88Å; E508-T511 PolarHBondContact O-OG1 2.86Å; E508-T511 VanDerWaalsContact O-OG1 3.05Å; E508-S512 VanDerWaalsContact O-CB 3.24Å; E508-S512 WeakPolarHBondContact O-CB 3.45Å; E508-S512 PolarHBondContact O-N 2.97Å; E508-S512 VanDerWaalsContact O-N 3.11Å; E508-S512 PolarHBondContact O-OG 3Å
509T53.5Low48Very low81 Ų81121.6 Ų121.650%0.49765%0.645SS.*Hα-helixtrans-72.8-30.5172.1390000113.1V505 R506 L507 A513V505-T509 WeakPolarHBondContact O-CG2 3.32Å; V505-T509 PolarHBondContact O-N 3.43Å; V505-T509 PolarHBondContact O-OG1 3.04Å; R506-T509 WeakPolarHBondContact CA-OG1 3.3Å; R506-T509 PolarHBondContact O-OG1 3.39Å; L507-T509 VanDerWaalsContact C-N 3.31Å; L507-T509 PolarHBondContact O-N 2.94Å; T509-A513 WeakPolarHBondContact O-CB 3.35Å; T509-A513 PolarHBondContact O-N 3.23Å
510L49Very low48.2Very low120 Ų120123.4 Ų123.463%0.62865%0.645SS**Hα-helixtrans-76.8-40.3177.5-69.4172.8000112.1R506 L507 A513 L514R506-L510 WeakPolarHBondContact O-CD1 3.33Å; R506-L510 WeakPolarHBondContact O-CG 3.46Å; L507-L510 PolarHBondContact O-N 3.03Å; L507-L510 VanDerWaalsContact O-N 3.15Å; L510-A513 PolarHBondContact O-N 3.37Å; L510-L514 PolarHBondContact O-N 3.43Å; L510-L514 VanDerWaalsContact O-N 3.12Å
511T53Low47.9Very low83 Ų83120.5 Ų120.551%0.50964%0.638SS.*Hα-helixtrans-64.1-41.9171.350.30000111.5L507 E508 A513 L514 Q515L507-T511 PolarHBondContact O-N 2.77Å; L507-T511 PolarHBondContact O-OG1 3.09Å; E508-T511 PolarHBondContact O-OG1 2.86Å; E508-T511 VanDerWaalsContact O-OG1 3.05Å; T511-A513 VanDerWaalsContact C-N 3.26Å; T511-A513 PolarHBondContact O-N 3.22Å; T511-L514 PolarHBondContact O-N 2.94Å; T511-Q515 PolarHBondContact O-N 2.9Å; T511-Q515 VanDerWaalsContact O-N 3.1Å
512S56.5Low47.3Very low56 Ų56115.8 Ų115.839%0.39264%0.636SS.*Hα-helixtrans-62.6-29.4174.9-63.50000113.7E508 K516E508-S512 VanDerWaalsContact O-CB 3.24Å; E508-S512 WeakPolarHBondContact O-CB 3.45Å; E508-S512 PolarHBondContact O-N 2.97Å; E508-S512 VanDerWaalsContact O-N 3.11Å; E508-S512 PolarHBondContact O-OG 3Å; S512-K516 WeakPolarHBondContact O-CD 3.32Å; S512-K516 VanDerWaalsContact O-CG 3.28Å; S512-K516 WeakPolarHBondContact O-CG 3.41Å; S512-K516 PolarHBondContact O-N 3.29Å
513A50.7Low46.5Very low58 Ų58118 Ų11848%0.47964%0.641SS.*Hα-helixtrans-73.6-43.7174.300000111.6T509 L510 T511 K516 Q517T509-A513 WeakPolarHBondContact O-CB 3.35Å; T509-A513 PolarHBondContact O-N 3.23Å; L510-A513 PolarHBondContact O-N 3.37Å; T511-A513 VanDerWaalsContact C-N 3.26Å; T511-A513 PolarHBondContact O-N 3.22Å; A513-K516 PolarHBondContact O-N 2.96Å; A513-Q517 PolarHBondContact O-N 3.33Å
514L48.4Very low45.9Very low122 Ų122117.9 Ų117.964%0.63965%0.647SS**Hα-helixtrans-60.7-48.8179.5-140.977000111.6L510 T511 K516 Q517 E518L510-L514 PolarHBondContact O-N 3.43Å; L510-L514 VanDerWaalsContact O-N 3.12Å; T511-L514 PolarHBondContact O-N 2.94Å; L514-K516 PolarHBondContact O-N 2.74Å; L514-Q517 PolarHBondContact O-N 3.05Å; L514-E518 PolarHBondContact O-N 3.12Å
515Q51.2Low45.3Very low144 Ų144122.2 Ų122.267%0.67366%0.66SS**Hα-helixtrans-69-21.8-177.8-162.5170.710.600113.4T511 S519T511-Q515 PolarHBondContact O-N 2.9Å; T511-Q515 VanDerWaalsContact O-N 3.1Å; Q515-S519 PolarHBondContact O-OG 3.27Å
516K47.8Very low44.5Very low144 Ų144126.5 Ų126.563%0.62667%0.674SS**Hα-helixtrans-79.2-16.4171.2-77.4178.3-179.1179.60113.7S512 A513 L514 S519 I520S512-K516 WeakPolarHBondContact O-CD 3.32Å; S512-K516 VanDerWaalsContact O-CG 3.28Å; S512-K516 WeakPolarHBondContact O-CG 3.41Å; S512-K516 PolarHBondContact O-N 3.29Å; A513-K516 PolarHBondContact O-N 2.96Å; L514-K516 PolarHBondContact O-N 2.74Å; K516-S519 WeakPolarHBondContact CA-OG 3.47Å; K516-I520 WeakPolarHBondContact O-CD1 3.4Å; K516-I520 WeakPolarHBondContact O-CG1 3.44Å
517Q42.8Very low43.7Very low154 Ų154126.1 Ų126.172%0.7268%0.678SS**Hα-helixtrans-85.6-32.8178.1-159.5168.219.800112.2A513 L514A513-Q517 PolarHBondContact O-N 3.33Å; L514-Q517 PolarHBondContact O-N 3.05Å
518E40.9Very low42.7Very low155 Ų155126.2 Ų126.272%0.72469%0.687SS**Hα-helixtrans-71.2-33175.1-65-173.8128.600112.7L514 I520 S521L514-E518 PolarHBondContact O-N 3.12Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.99Å; E518-S521 PolarHBondContact O-N 3.46Å
519S40.7Very low42.1Very low86 Ų86125.9 Ų125.960%0.60170%0.697SS**THydrogen-bonded Turntrans-79.80.1-172.940.60000115.6Q515 K516Q515-S519 PolarHBondContact O-OG 3.27Å; K516-S519 WeakPolarHBondContact CA-OG 3.47Å
520I43.4Very low40.8Very low145 Ų145127.8 Ų127.874%0.74471%0.713SS**THydrogen-bonded Turntrans-102.7-11.8177.6-57.3171.8000111.7K516 E518 S522K516-I520 WeakPolarHBondContact O-CD1 3.4Å; K516-I520 WeakPolarHBondContact O-CG1 3.44Å; E518-I520 VanDerWaalsContact C-N 3.3Å; E518-I520 PolarHBondContact O-N 2.99Å; I520-S522 PolarHBondContact O-N 3.16Å
521S39.8Very low40Very low108 Ų108128.7 Ų128.776%0.75572%0.723SS**SBendtrans-89.77.8-169.5-167.40000116E518E518-S521 PolarHBondContact O-N 3.46Å
522S38.6Very low38.8Very low99 Ų99129.3 Ų129.369%0.69274%0.737SS**SBendtrans-141.762.1-17169.50000116I520I520-S522 PolarHBondContact O-N 3.16Å
523N32.7Very low37.6Very low172 Ų172131.4 Ų131.492%0.9275%0.751SS**  trans-156.3155.5149.3-136.2-31.5000112.8
524G29.6Very low37.4Very low70 Ų70134.7 Ų134.772%0.72277%0.768SS**  trans114.870.317100000117.3
525K36.5Very low36.5Very low208 Ų208134 Ų13490%0.90477%0.772SS**  trans-111.5107154.9-88.6-173.6175.7179.10109.5
526Q31.8Very low35.5Very low192 Ų192133.8 Ų133.890%0.89778%0.78SS**  trans-157.7108.3157.8-117.1171.532.300114.7
527K28.9Very low34.7Very low200 Ų200131.9 Ų131.987%0.8779%0.785SS**  trans47.1103.2132.4-154.4174.4-171.2179.70119.5
528C28.6Very low34Very low121 Ų121130.3 Ų130.382%0.81879%0.791SS**  trans-79.2149.7159.7-51.40000111.8
529P39.4Very low33.5Very low126 Ų126127.6 Ų127.682%0.81880%0.795SS**  trans-84.8162.5158.135.5-32.3000111.5
530S27.6Very low32.9Very low120 Ų120129 Ų12984%0.83981%0.805SS**  trans-129.6129.61781730000110.5
531V30.3Very low32.4Very low139 Ų139127.3 Ų127.384%0.84281%0.806SS**  trans-150.5140.7167.8-162.80000110.2
532A29.4Very low32Very low96 Ų96130.5 Ų130.579%0.79381%0.809SS**  trans61.3111.2161.800000120.4
533S30.1Very low31.5Very low100 Ų100130.2 Ų130.270%0.69981%0.807SS**  trans-87.5170.1145-150.20000108.8
534P47.6Very low31.4Very low127 Ų127130 Ų13083%0.82581%0.805SS**  -139.8173.768.136.2-17.3000115.8
535C28.8Very low31.4Very low108 Ų108130.8 Ų130.873%0.7380%0.799SS**  trans-92.8165.9-177.2-52.40000113.4
536V30.6Very low31.1Very low140 Ų140126.4 Ų126.485%0.84880%0.795SS**  trans-157.7139.8134.7-1030000113.5
537S30.6Very low31.1Very low104 Ų104120.8 Ų120.873%0.72778%0.782SS**  trans58.899.2144.3-56.80000123.3
538S28.7Very low31.2Very low121 Ų121118.3 Ų118.385%0.84678%0.778SS**  56.7149.2103.2-54.60000124.2
539A29.4Very low31.2Very low98 Ų98121.2 Ų121.281%0.8178%0.779SS**  trans72.5129.1172.800000116.3
540S29Very low31Very low115 Ų115120.1 Ų120.180%0.80478%0.781SS**  cis92.384.523.4-1710000116
541S32.7Very low31Very low109 Ų109121.9 Ų121.976%0.76278%0.781SS**  trans-168.8115.5146.4-79.70000107.5
542Q30.6Very low31.1Very low175 Ų175120.5 Ų120.582%0.81878%0.778SS**  69108.289.3-72.1-163.125.400115.7
543S29.4Very low31.2Very low94 Ų94120.1 Ų120.166%0.65777%0.769SS**  70117.8126.5-53.70000121.5
544L30.8Very low31.2Very low166 Ų166123.6 Ų123.687%0.86978%0.779SS**  trans69.3155.6142.2-59169.4000117
545S28.1Very low30.5Very low87 Ų87124.5 Ų124.561%0.60878%0.777SS**  cis-172153-24.151.30000109.4
546S31.3Very low30.7Very low116 Ų116126.5 Ų126.581%0.81178%0.776SS**  trans63.8169162.676.90000116.3
547A30.3Very low30.7Very low75 Ų75127.4 Ų127.462%0.6277%0.77SS**  cis-169.1164.2-4200000108
548N31.6Very low30.7Very low147 Ų147131 Ų13179%0.78678%0.776SS**  trans69.9113.4159.5-63.66000116
549E29.7Very low30.7Very low182 Ų182129 Ų12985%0.8577%0.773SS**  83.4105.677.6-70.5-92.5174.900112.3
550A33.8Very low30.9Very low103 Ų103132.9 Ų132.985%0.85177%0.772SS**  trans-158.3103.1161.700000109.7
551D28.6Very low31Very low157 Ų157133.1 Ų133.184%0.8477%0.774SS**  trans-62.9146169.9-179.418.2000112.2
552S31.4Very low30.8Very low111 Ų111131.3 Ų131.378%0.77677%0.772SS**  trans-175.9126.1136.7-170.40000112.8
553S32.5Very low31.7Very low87 Ų87129 Ų12961%0.60877%0.773SS**  trans-50.9145.7155.5170.90000113.9
554L30.6Very low31.6Very low174 Ų174134.8 Ų134.891%0.91178%0.78SS**  -157.7170.9118.4-135.978.6000111.6
555D31.3Very low31.6Very low146 Ų146134.1 Ų134.178%0.78177%0.772SS**  trans-121.9-172.8-161.3-139.8-41.5000113.1
556E32.9Very low31.7Very low150 Ų150139.2 Ų139.270%0.70178%0.784SS**  trans93.9136.5159-72-93.610600123
557Q30.4Very low31.7Very low158 Ų158138 Ų13874%0.73878%0.775SS**  trans89.7100.5144.9-81.1173.949.500124.8
558E30.7Very low31.8Very low181 Ų181143.9 Ų143.985%0.84679%0.787SS**  trans32.6131133.3-64.9-146.4101.600123.2
559G30.3Very low32Very low77 Ų77141.8 Ų141.879%0.79479%0.79SS**  trans-152.735.2178.600000117.9
560K32.6Very low31.9Very low180 Ų180136.3 Ų136.378%0.78378%0.782SS**  trans30137.3162.7-77.7171.4178.3159.20122.4
561S32.3Very low32Very low121 Ų121142.8 Ų142.885%0.84679%0.785SS**  trans76.9124146660000121.3
562G27.3Very low32.3Very low70 Ų70145.7 Ų145.772%0.72278%0.784SS**  trans-92.8-149.4152.500000111
563P49.3Very low32.6Very low128 Ų128151.3 Ų151.383%0.83179%0.788SS**  cis-135-162.914.542.6-24.5000113.9
564R28.1Very low32.8Very low215 Ų215156.1 Ų156.181%0.81180%0.798SS**  150.7111.3119.6-168.7166.4-163.3-129.27.5116.4
565Q30.5Very low33Very low151 Ų151158.5 Ų158.571%0.70680%0.795SS**  trans43.6124.1141.1-70.8175.4-15.700121.5
566K30.9Very low33Very low194 Ų194159.1 Ų159.184%0.84380%0.797SS**  60.4139.190.2-69.3-176.3-179.5-178.90114.8
567S31.3Very low33.1Very low90 Ų90161.5 Ų161.563%0.62980%0.8SS**  cis-179.9179.53.150.20000112.4
568K31.9Very low33.4Very low200 Ų200161.1 Ų161.187%0.8780%0.801SS**  trans80.1165.3162.5-59.1172-176.7177.20118.7
569A35.6Very low33.4Very low102 Ų102158 Ų15884%0.84379%0.79SS**  cis-179.9152-43.100000112.6
570G28.6Very low33.9Very low68 Ų68160.8 Ų160.870%0.70179%0.792SS**  trans112.8125164.900000114.9
571R34.9Very low34.1Very low238 Ų238160.9 Ų160.990%0.89880%0.796SS**  64.2135.661.7-65.8-169.1-176.2-106.313.9112.5
572R35.8Very low34.4Very low218 Ų218162.1 Ų162.182%0.82380%0.798SS**  cis-176178.939.3-145.1174.7-175.8-166.72.4112.2
573R36.1Very low34.7Very low230 Ų230165.1 Ų165.187%0.86880%0.797SS**  trans87.9147.8170.2-56.5168.8179.6165.70.3114.8
574K37.3Very low34.4Very low187 Ų187170.4 Ų170.481%0.81380%0.801SS**  cis-154.7125-13.8-109.4177.5177.6-174.90105.8
575R34.8Very low34.7Very low225 Ų225167.2 Ų167.285%0.84980%0.8SS**  62.5108.685.3-170.1-153.8-83-152.5-3115.9
576L32.4Very low35Very low158 Ų158165.8 Ų165.883%0.82781%0.807SS**  -156.9157.4126.4-139.371.5000111.7
577R33.5Very low35.2Very low201 Ų201164 Ų16476%0.75881%0.807SS**  trans-118.4156.7161.6-70.9-164.4-170.7-179.90.4107.8D579R577-D579 WeakPolarHBondContact CD-OD2 3.29Å; R577-D579 IonicContact CZ-OD2 2.76Å; R577-D579 IonicContact NE-OD2 3.67Å; R577-D579 IonicContact NH1-OD2 3.83Å; R577-D579 PolarHBondContact NH1-OD2 3.31Å
578I36.4Very low35.4Very low149 Ų149166.1 Ų166.176%0.76482%0.816SS**  trans-134.7129.5140.3-84.2170.1000105.8T580I578-T580 HydrophobicContact CG2-CG2 4.31Å
579D32.4Very low35.6Very low116 Ų116163 Ų16362%0.6281%0.809SS**  trans-113.3133.7168.1-57.3-60.8000106R577R577-D579 WeakPolarHBondContact CD-OD2 3.29Å; R577-D579 IonicContact CZ-OD2 2.76Å; R577-D579 IonicContact NE-OD2 3.67Å; R577-D579 IonicContact NH1-OD2 3.83Å; R577-D579 PolarHBondContact NH1-OD2 3.31Å
580T40.1Very low35.4Very low135 Ų135167.8 Ų167.883%0.82881%0.81SS**  trans-135.8128167.4480000110.7I578I578-T580 HydrophobicContact CG2-CG2 4.31Å
581E37.3Very low35.6Very low183 Ų183173.6 Ų173.686%0.85582%0.816SS**  trans-80.6145-171.9178.3177.4-140.300112.6
582T37.8Very low35.5Very low146 Ų146171.7 Ų171.790%0.89682%0.817SS**  trans-163.7124.8137.600000111.1
583D34.2Very low35.5Very low133 Ų133169.6 Ų169.671%0.71182%0.817SS**  trans-89.4146.3171.5169.540.2000111.1
584R42.3Very low35.4Very low239 Ų239166.8 Ų166.890%0.90281%0.813SS**  trans-177.2112.5151.1-108.9167.2-175.4157.84.9113.1
585D35.1Very low35.4Very low148 Ų148168.7 Ų168.779%0.79182%0.816SS**  trans-64.6149.4163.3-78.8-45000113.2
586S36.9Very low35.5Very low122 Ų122168.7 Ų168.785%0.85382%0.815SS**  trans-165.9117.8146.5-81.20000111.8
587D35.1Very low35.8Very low157 Ų157168.7 Ų168.784%0.8482%0.815SS**  trans-64.3148.1168.1-117.9-48.5000112
588T35.7Very low36Very low134 Ų134168 Ų16882%0.82282%0.817SS**  trans-168.7106.4137.711.40000114.4
589N34.8Very low36Very low134 Ų134168.1 Ų168.172%0.71782%0.818SS**  trans-30127.8157178.7-7.9000115.4
590K32.3Very low36.4Very low203 Ų203168.5 Ų168.588%0.88382%0.824SS**  trans-126121.8163.9-94.6178.2177.8168.20112.1
591K33.4Very low36.4Very low189 Ų189168.4 Ų168.482%0.82282%0.824SS**  trans-69.8136.7174.1-64.1173.3178.7174.50110.9
592H31.9Very low36.3Very low198 Ų198171 Ų17192%0.91783%0.825SS**  trans-65.9138.1159.5-96.8-74.9000110
593Q36Very low36.5Very low174 Ų174170.4 Ų170.481%0.81382%0.822SS**  trans-127.9113.2170.5-163177.136.800109.3R595Q593-R595 PolarHBondContact O-N 3Å
594E33.7Very low36.9Very low171 Ų171173.3 Ų173.380%0.79983%0.831SS**  trans-79.3116.6-173-171.8-178.7-134.500111.2R596E594-R596 PolarHBondContact O-N 3.43Å
595R37Very low36.9Very low228 Ų228171.2 Ų171.286%0.8683%0.832SS**  trans-91.794.9179.2-72.8-174.8175.9178.4-0.9111.3Q593 I597Q593-R595 PolarHBondContact O-N 3Å; R595-I597 PolarHBondContact O-N 3.2Å
596R36.9Very low37.4Very low224 Ų224175.8 Ų175.885%0.84584%0.838SS**  trans-68.2120.9167.5-76.3-179.7165.6-169.1-7.4110.9E594E594-R596 PolarHBondContact O-N 3.43Å
597I38.4Very low37.4Very low158 Ų158175.2 Ų175.281%0.8183%0.834SS**  trans-81.5131.7171.5-59.8175.8000108.8R595 I599R595-I597 PolarHBondContact O-N 3.2Å; I597-I599 HydrophobicContact CG2-CG1 4.4Å
598K38.3Very low38.7Very low188 Ų188173.5 Ų173.582%0.81783%0.831SS**  trans-113.7108.9178.3-173178.3-179.1-178.30109.2
599I37.3Very low39Very low150 Ų150176.6 Ų176.677%0.76986%0.859SS**PPolyproline II helixtrans-86.1123.8179.2-58.9175.2000109I597I597-I599 HydrophobicContact CG2-CG1 4.4Å
600T39.4Very low39.2Very low124 Ų124178.8 Ų178.876%0.76187%0.866SS**PPolyproline II helixtrans-102.2117.1170.233.90000110
601V40.8Very low39.6Very low134 Ų134177.5 Ų177.581%0.81287%0.865SS**PPolyproline II helixtrans-80.6133.6170.7179.70000108.6
602R35.6Very low39.9Very low236 Ų236176.8 Ų176.889%0.89187%0.867SS**PPolyproline II helixtrans-85.8137.6168.1-77.9-177.2163.6107.2-5.6109.5
603T41Very low40.4Very low135 Ų135175.6 Ų175.683%0.82886%0.864SS**PPolyproline II helixtrans-84.5135.4163.746.90000109.4
604E42.5Very low40.7Very low194 Ų194175.7 Ų175.791%0.90787%0.868SS**PPolyproline II helixtrans-73.5151.9171.7-66.3-175.5124.700111.4
605E42.6Very low41.2Very low195 Ų195176 Ų17691%0.91187%0.872SS**PPolyproline II helixtrans-81.4157.1174.9-69-164.5120.100112.1
606R45.9Very low41.5Very low243 Ų243172.3 Ų172.392%0.91787%0.873SS**  trans-107.1112.9-175.5-179.3-179.4-178.3176.41.2109.7
607S37.5Very low41.8Very low111 Ų111168.3 Ų168.378%0.77688%0.875SS**  trans-57.5140177.5-500000112.3
608P61.6Low42.1Very low120 Ų120169.2 Ų169.278%0.77988%0.881SS**  trans-82.9152.5170.634.4-33.8000112.2
609S42.6Very low42.4Very low200 Ų200167.5 Ų167.5100%1.39989%0.886SS**  trans10.60163.5-62.40000119.3

Retrieved 609 of 609 residues in 390 ms (Link to these results)