A0A087X3M1_POEFO Loading...

Wiskott-Aldrich syndrome protein family member

Downstream effector molecule involved in the transmission of signals from tyrosine kinase receptors and small GTPases to the actin cytoskeleton. Promotes formation of actin filaments. Part of the WAVE complex that regulates lamellipodia formation. The WAVE complex regulates actin filament reorganization via its interaction with the Arp2/3 complex. As component of the WAVE1 complex, required for BDNF-NTRK2 endocytic trafficking and signaling from early endosomes. Also involved in the regulation of mitochondrial dynamics.

AlphaFold DB , UniProt , Accession A0A087X3M1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 556 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
1M43Very low74.1Confident213 Ų213102.5 Ų102.5100%1.04952%0.524SS*.  0139.90-70.6157.459.800108.7L3M1-L3 PolarHBondContact O-N 3.2Å; M1-L3 VanDerWaalsContact O-N 3.13Å
2P55.3Low75.3Confident132 Ų132103.8 Ų103.886%0.85753%0.526SS*.  trans-74.895.5166.831-31.2000109.1
3L61.8Low76.2Confident117 Ų11799.5 Ų99.561%0.61350%0.504SS*.  trans-67.6136.5166.6-70.2171.6000108.7M1 K5M1-L3 PolarHBondContact O-N 3.2Å; M1-L3 VanDerWaalsContact O-N 3.13Å; L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 3.37Å
4V70.1Confident76.6Confident109 Ų10997.6 Ų97.666%0.66150%0.504SS*.  trans-69.992.5173.9177.70000107.7R6 T7V4-R6 VanDerWaalsContact CG1-O 3.32Å; V4-R6 WeakPolarHBondContact CG1-O 3.38Å; V4-R6 PolarHBondContact O-N 2.73Å; V4-R6 VanDerWaalsContact O-N 3.16Å; V4-T7 HydrophobicContact CG1-CG2 3.96Å
5K70.3Confident76.9Confident88 Ų88101 Ų10138%0.38352%0.516SS..  trans-55.2-32.5-173.5-83.8-168.4172.6-166.40113.9L3 E54 P118 P120L3-K5 VanDerWaalsContact C-N 3.33Å; L3-K5 PolarHBondContact O-N 3.37Å; K5-E54 IonicContact NZ-OE1 2.86Å; K5-E54 IonicContact NZ-OE2 3.56Å; K5-E54 PolarHBondContact NZ-OE2 2.76Å; K5-E54 VanDerWaalsContact NZ-OE2 3.11Å; K5-P118 HydrophobicContact CD-CG 4.3Å; K5-P120 WeakPolarHBondContact O-CB 3.03Å
6R79.3Confident76.8Confident27 Ų2799.3 Ų99.310%0.10251%0.511CS..  trans-144.7147.7-171.5-51-175.7-176.8888.4109.9V4 Y47 E54 P120V4-R6 VanDerWaalsContact CG1-O 3.32Å; V4-R6 WeakPolarHBondContact CG1-O 3.38Å; V4-R6 PolarHBondContact O-N 2.73Å; V4-R6 VanDerWaalsContact O-N 3.16Å; R6-Y47 HydrophobicContact CB-CD2 3.51Å; R6-Y47 HydrophobicContact CB-CE2 3.72Å; R6-Y47 HydrophobicContact CG-CD2 4.1Å; R6-Y47 HydrophobicContact CG-CE2 4.19Å; R6-E54 IonicContact CZ-OE1 3.05Å; R6-E54 IonicContact CZ-OE2 2.66Å; R6-E54 IonicContact NH2-OE1 3.45Å; R6-E54 PolarHBondContact NH2-OE1 3.3Å; R6-E54 IonicContact NH2-OE2 2.91Å; R6-E54 PolarHBondContact NH2-OE2 3.17Å; R6-P120 HydrophobicContact CG-CB 3.85Å; R6-P120 HydrophobicContact CG-CG 3.92Å
7T83.2Confident77Confident60 Ų60101.4 Ų101.437%0.36853%0.53SS..  trans-131.8135.9178.7560000111.2V4V4-T7 HydrophobicContact CG1-CG2 3.96Å
8I87.9Confident77.3Confident64 Ų6498.2 Ų98.233%0.32851%0.513SS..  trans-85.1136.1-179.8-49.8171.2000109.4Q40 S43 L44I8-Q40 HydrophobicContact CG2-CG 3.61Å; I8-Q40 WeakPolarHBondContact CG2-O 3.44Å; I8-S43 WeakPolarHBondContact CA-OG 3.49Å; I8-L44 HydrophobicContact CD1-CD1 3.93Å; I8-L44 HydrophobicContact CG2-CB 4.43Å
9E88.2Confident77.6Confident116 Ų11697.4 Ų97.454%0.54252%0.515SS..SBendtrans-128.6145.3-178.8-57-150139.900112.9Q40 S43E9-Q40 WeakPolarHBondContact O-CA 3.36Å; E9-S43 PolarHBondContact N-OG 2.79Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å
10P89.7Confident77.6Confident35 Ų35104.8 Ų104.823%0.22754%0.535CS..  cis-74.5145.8-2.731-35.5000112.4N36 R39 Q40P10-N36 HydrophobicContact CG-CB 3.9Å; P10-R39 HydrophobicContact CG-CB 4.45Å; P10-Q40 PolarHBondContact O-NE2 3.41Å
11R86.1Confident77.9Confident167 Ų167107.2 Ų107.263%0.6355%0.549SS*.SBendtrans-74.1-32175.8-61.9-172.4-168.5-174.56.4113.3
12H88.6Confident80Confident118 Ų11899.3 Ų99.355%0.54651%0.511SS..  trans-111.1121.1179-57.7117.2000109.7H15H12-H15 HydrophobicContact CB-CB 4.03Å; H12-H15 AromaticContact CD2-CE1 3.44Å; H12-H15 PolarHBondContact CD2-CE1 3.07Å; H12-H15 VanDerWaalsContact CD2-CE1 3.44Å; H12-H15 AromaticContact CD2-ND1 3.37Å; H12-H15 PolarHBondContact CD2-ND1 3.01Å; H12-H15 AromaticContact CG-CE1 3.96Å; H12-H15 AromaticContact CG-ND1 3.43Å; H12-H15 AromaticContact NE2-ND1 3.94Å
13L87.1Confident81.3Confident48 Ų48102.7 Ų102.725%0.25151%0.512SS..SBendtrans-83.3-34.5-176.5-61.2173.2000112.8N36 V37 Q40L13-N36 HydrophobicContact CD2-CB 3.91Å; L13-N36 PolarHBondContact O-ND2 2.78Å; L13-V37 HydrophobicContact CD1-CG2 3.7Å; L13-V37 HydrophobicContact CD2-CG2 3.95Å; L13-V37 HydrophobicContact CG-CG2 4.39Å; L13-Q40 HydrophobicContact CD2-CB 4.39Å
14C82.4Confident82.6Confident73 Ų73101.1 Ų101.149%0.49350%0.504SS..SBendtrans-119-1.7-165.4-46.50000114.7T16 S33C14-T16 PolarHBondContact O-N 2.79Å; C14-S33 PolarHBondContact SG-OG 3.46Å
15H80.9Confident83.5Confident148 Ų148101.1 Ų101.169%0.68550%0.497SS*.  trans-80.130.6-172.9-64.9-178.4000113.9H12H12-H15 HydrophobicContact CB-CB 4.03Å; H12-H15 AromaticContact CD2-CE1 3.44Å; H12-H15 PolarHBondContact CD2-CE1 3.07Å; H12-H15 VanDerWaalsContact CD2-CE1 3.44Å; H12-H15 AromaticContact CD2-ND1 3.37Å; H12-H15 PolarHBondContact CD2-ND1 3.01Å; H12-H15 AromaticContact CG-CE1 3.96Å; H12-H15 AromaticContact CG-ND1 3.43Å; H12-H15 AromaticContact NE2-ND1 3.94Å
16T75.3Confident84.5Confident73 Ų73103.4 Ų103.445%0.44851%0.513SS..PPolyproline II helixtrans-93.5127-179-53.60000110.2C14 L18C14-T16 PolarHBondContact O-N 2.79Å; T16-L18 PolarHBondContact O-N 3Å
17V80.3Confident85Confident136 Ų136108.2 Ų108.282%0.82454%0.536SS*.PPolyproline II helixtrans-65.9125.3175.6-179.60000109.8
18L81.7Confident85.2Confident44 Ų44107 Ų10723%0.2353%0.53CS..PPolyproline II helixtrans-73.2136.7178.2-67.4179.5000112.1T16 R20 I22 E25 C28 V29 I32T16-L18 PolarHBondContact O-N 3Å; L18-R20 PolarHBondContact O-N 2.85Å; L18-I22 HydrophobicContact CB-CD1 4.27Å; L18-I22 HydrophobicContact CD2-CD1 4.26Å; L18-E25 HydrophobicContact CD1-CB 3.85Å; L18-E25 HydrophobicContact CD1-CG 4.1Å; L18-C28 HydrophobicContact CD2-CB 4.3Å; L18-V29 HydrophobicContact CD1-CG2 3.76Å; L18-V29 HydrophobicContact CD2-CG2 3.84Å; L18-V29 HydrophobicContact CG-CG2 4.16Å; L18-I32 HydrophobicContact CD2-CD1 4.31Å
19P82.9Confident85.3Confident83 Ų83106.4 Ų106.454%0.53953%0.529SS..PPolyproline II helixtrans-53.5132163.2-27.432.4000112.8N21 I22P19-N21 PolarHBondContact O-N 2.84Å; P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.14Å; P19-I22 HydrophobicContact CG-CD1 4.09Å; P19-I22 WeakPolarHBondContact O-CD1 3.23Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å
20R78.9Confident85.5Confident244 Ų244104.2 Ų104.292%0.92152%0.524SS*.THydrogen-bonded Turntrans-68.40.5-171.7-61.6-177.4-179.5176.20116.4L18L18-R20 PolarHBondContact O-N 2.85Å
21N83.8Confident85.6Confident156 Ų156108 Ų10883%0.83454%0.542SS*.THydrogen-bonded Turntrans-118.415.2-171-64.510.1000113P19P19-N21 PolarHBondContact O-N 2.84Å
22I86.1Confident85.8Confident48 Ų48102.2 Ų102.225%0.24652%0.523CS..  trans-84.9136.9-178.9-56.2160.5000109.9L18 P19 E25 C28L18-I22 HydrophobicContact CB-CD1 4.27Å; L18-I22 HydrophobicContact CD2-CD1 4.26Å; P19-I22 HydrophobicContact CB-CD1 3.96Å; P19-I22 HydrophobicContact CB-CG1 4.14Å; P19-I22 HydrophobicContact CG-CD1 4.09Å; P19-I22 WeakPolarHBondContact O-CD1 3.23Å; P19-I22 WeakPolarHBondContact O-CG1 3.48Å; I22-E25 HydrophobicContact CB-CG 4.46Å; I22-C28 HydrophobicContact CD1-CB 4.09Å; I22-C28 HydrophobicContact CG2-CB 4.23Å
23K83.8Confident86Confident202 Ų20297.5 Ų97.588%0.87850%0.504SS*.SBendtrans-83.8-36.1173-66-177.5178.2-179.30113
24N88.5Confident86.4Confident85 Ų85100.1 Ų100.146%0.45552%0.517SS..  trans-111.368.8-175.7-59.711.1000110.2L26 E27 C28N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.05Å; N24-E27 HydrophobicContact CB-CB 4.09Å; N24-E27 HydrophobicContact CB-CG 4.1Å; N24-E27 VanDerWaalsContact CB-OE2 3.24Å; N24-E27 WeakPolarHBondContact CB-OE2 3.28Å; N24-E27 VanDerWaalsContact ND2-CD 3.27Å; N24-E27 PolarHBondContact ND2-OE1 3.27Å; N24-E27 PolarHBondContact ND2-OE2 3.43Å; N24-E27 PolarHBondContact O-N 2.84Å; N24-C28 PolarHBondContact O-N 3.43Å; N24-C28 VanDerWaalsContact O-N 3.16Å
25E89.5Confident86.9Confident108 Ų10898.3 Ų98.351%0.50551%0.508SS..Hα-helixtrans-57-43.1-175.7-68-172.5162.800112.8L18 I22 E27 C28 V29L18-E25 HydrophobicContact CD1-CB 3.85Å; L18-E25 HydrophobicContact CD1-CG 4.1Å; I22-E25 HydrophobicContact CB-CG 4.46Å; E25-E27 PolarHBondContact O-N 2.96Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 3.26Å; E25-C28 VanDerWaalsContact O-N 3.15Å; E25-V29 WeakPolarHBondContact O-CG2 3.34Å; E25-V29 PolarHBondContact O-N 2.86Å
26L89.5Confident87.5Confident137 Ų13791.9 Ų91.972%0.71748%0.479SS*.Hα-helixtrans-63.8-39.1-178.9-178.561.9000112.9N24 C28 T30N24-L26 VanDerWaalsContact C-N 3.33Å; N24-L26 PolarHBondContact O-N 3.05Å; L26-C28 VanDerWaalsContact C-N 3.33Å; L26-T30 WeakPolarHBondContact O-CB 3.35Å; L26-T30 PolarHBondContact O-N 2.88Å; L26-T30 PolarHBondContact O-OG1 3.4Å
27E89.8Confident88.5Confident127 Ų12790.9 Ų90.959%0.59347%0.472SS*.Hα-helixtrans-65.6-39.2174.3-66.5174.9-177.700110.9N24 E25 T30 N31N24-E27 HydrophobicContact CB-CB 4.09Å; N24-E27 HydrophobicContact CB-CG 4.1Å; N24-E27 VanDerWaalsContact CB-OE2 3.24Å; N24-E27 WeakPolarHBondContact CB-OE2 3.28Å; N24-E27 VanDerWaalsContact ND2-CD 3.27Å; N24-E27 PolarHBondContact ND2-OE1 3.27Å; N24-E27 PolarHBondContact ND2-OE2 3.43Å; N24-E27 PolarHBondContact O-N 2.84Å; E25-E27 PolarHBondContact O-N 2.96Å; E27-T30 PolarHBondContact O-N 3.47Å; E27-N31 WeakPolarHBondContact O-CB 3.47Å; E27-N31 PolarHBondContact O-N 3.33Å
28C88.2Confident89.3Confident36 Ų3690 Ų9024%0.24346%0.462CS..Hα-helixtrans-64.7-48.4176.9-168.60000111.8L18 I22 N24 E25 L26 T30 N31 I32L18-C28 HydrophobicContact CD2-CB 4.3Å; I22-C28 HydrophobicContact CD1-CB 4.09Å; I22-C28 HydrophobicContact CG2-CB 4.23Å; N24-C28 PolarHBondContact O-N 3.43Å; N24-C28 VanDerWaalsContact O-N 3.16Å; E25-C28 WeakPolarHBondContact O-CB 3.48Å; E25-C28 PolarHBondContact O-N 3.26Å; E25-C28 VanDerWaalsContact O-N 3.15Å; L26-C28 VanDerWaalsContact C-N 3.33Å; C28-T30 VanDerWaalsContact C-N 3.35Å; C28-T30 PolarHBondContact O-N 2.89Å; C28-N31 PolarHBondContact O-N 3.35Å; C28-I32 WeakPolarHBondContact O-CB 3.4Å; C28-I32 VanDerWaalsContact O-CG1 3.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.48Å; C28-I32 PolarHBondContact O-N 3.03Å
29V90.6Very high89.9Confident51 Ų5195 Ų9531%0.30948%0.478SS..Hα-helixtrans-56.8-49.6173.4175.70000110.3L18 E25 N31 I32 S33L18-V29 HydrophobicContact CD1-CG2 3.76Å; L18-V29 HydrophobicContact CD2-CG2 3.84Å; L18-V29 HydrophobicContact CG-CG2 4.16Å; E25-V29 WeakPolarHBondContact O-CG2 3.34Å; E25-V29 PolarHBondContact O-N 2.86Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 2.79Å; V29-I32 PolarHBondContact O-N 2.9Å; V29-S33 WeakPolarHBondContact O-CB 3.23Å; V29-S33 PolarHBondContact O-N 3.4Å; V29-S33 PolarHBondContact O-OG 3.36Å
30T91.2Very high90.5Very high69 Ų6994 Ų9442%0.42347%0.465SS..Hα-helixtrans-59.6-44.7-177.5-570000111.7L26 E27 C28 S33 L34L26-T30 WeakPolarHBondContact O-CB 3.35Å; L26-T30 PolarHBondContact O-N 2.88Å; L26-T30 PolarHBondContact O-OG1 3.4Å; E27-T30 PolarHBondContact O-N 3.47Å; C28-T30 VanDerWaalsContact C-N 3.35Å; C28-T30 PolarHBondContact O-N 2.89Å; T30-S33 PolarHBondContact O-N 3.28Å; T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.4Å; T30-L34 PolarHBondContact O-N 3.32Å
31N91.8Very high91.3Very high115 Ų11587.1 Ų87.162%0.61545%0.446SS*.Hα-helixtrans-67.3-41.5178.3-167.516.5000112.3E27 C28 V29 L34 A35E27-N31 WeakPolarHBondContact O-CB 3.47Å; E27-N31 PolarHBondContact O-N 3.33Å; C28-N31 PolarHBondContact O-N 3.35Å; V29-N31 VanDerWaalsContact C-N 3.35Å; V29-N31 PolarHBondContact O-N 2.79Å; N31-L34 PolarHBondContact O-N 3.41Å; N31-A35 WeakPolarHBondContact O-CB 3.36Å; N31-A35 PolarHBondContact O-N 3.09Å
32I90.7Very high92Very high45 Ų4583.5 Ų83.523%0.23143%0.433CS..Hα-helixtrans-60.9-45.4173.9-70.3166.7000110.7L18 C28 V29 A35 N36L18-I32 HydrophobicContact CD2-CD1 4.31Å; C28-I32 WeakPolarHBondContact O-CB 3.4Å; C28-I32 VanDerWaalsContact O-CG1 3.26Å; C28-I32 WeakPolarHBondContact O-CG1 3.48Å; C28-I32 PolarHBondContact O-N 3.03Å; V29-I32 PolarHBondContact O-N 2.9Å; I32-A35 PolarHBondContact O-N 3.08Å; I32-N36 WeakPolarHBondContact O-CB 3.33Å; I32-N36 VanDerWaalsContact O-CG 3.24Å; I32-N36 PolarHBondContact O-N 2.73Å; I32-N36 PolarHBondContact O-ND2 3.37Å
33S92.9Very high92.3Very high20 Ų2082.7 Ų82.714%0.1443%0.432CS..Hα-helixtrans-61.1-46177.8-62.10000111.7C14 V29 T30 N36 V37C14-S33 PolarHBondContact SG-OG 3.46Å; V29-S33 WeakPolarHBondContact O-CB 3.23Å; V29-S33 PolarHBondContact O-N 3.4Å; V29-S33 PolarHBondContact O-OG 3.36Å; T30-S33 PolarHBondContact O-N 3.28Å; S33-N36 PolarHBondContact O-N 3.36Å; S33-V37 WeakPolarHBondContact O-CG2 3.09Å; S33-V37 PolarHBondContact O-N 3.39Å
34L94.8Very high92.9Very high102 Ų10276.6 Ų76.653%0.53441%0.409SS..Hα-helixtrans-64.1-43.7176.8-71.7170.7000112.1T30 N31 N36 V37 I38T30-L34 HydrophobicContact CG2-CD1 4.12Å; T30-L34 WeakPolarHBondContact O-CB 3.44Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.4Å; T30-L34 PolarHBondContact O-N 3.32Å; N31-L34 PolarHBondContact O-N 3.41Å; L34-N36 VanDerWaalsContact C-N 3.27Å; L34-N36 PolarHBondContact O-N 2.99Å; L34-V37 PolarHBondContact O-N 3.41Å; L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 3.47Å
35A93.9Very high93.3Very high35 Ų3576.3 Ų76.329%0.28941%0.413SS..Hα-helixtrans-61.3-36.5174.500000112.1N31 I32 I38 R39N31-A35 WeakPolarHBondContact O-CB 3.36Å; N31-A35 PolarHBondContact O-N 3.09Å; I32-A35 PolarHBondContact O-N 3.08Å; A35-I38 PolarHBondContact O-N 3.22Å; A35-R39 WeakPolarHBondContact O-CG 3.36Å; A35-R39 PolarHBondContact O-N 3.26Å
36N94.3Very high93.4Very high14 Ų1475.2 Ų75.28%0.07541%0.407CS..Hα-helixtrans-73.5-32175.6-71.8-20.3000112.8P10 L13 I32 S33 L34 R39 Q40P10-N36 HydrophobicContact CG-CB 3.9Å; L13-N36 HydrophobicContact CD2-CB 3.91Å; L13-N36 PolarHBondContact O-ND2 2.78Å; I32-N36 WeakPolarHBondContact O-CB 3.33Å; I32-N36 VanDerWaalsContact O-CG 3.24Å; I32-N36 PolarHBondContact O-N 2.73Å; I32-N36 PolarHBondContact O-ND2 3.37Å; S33-N36 PolarHBondContact O-N 3.36Å; L34-N36 VanDerWaalsContact C-N 3.27Å; L34-N36 PolarHBondContact O-N 2.99Å; N36-R39 PolarHBondContact O-N 3.35Å; N36-R39 PolarHBondContact OD1-NH1 3.21Å; N36-Q40 WeakPolarHBondContact O-CB 3.45Å; N36-Q40 PolarHBondContact O-N 2.82Å
37V95.8Very high93.6Very high52 Ų5272.5 Ų72.532%0.31539%0.388SS..Hα-helixtrans-63.8-43.4169.2168.90000110.6L13 S33 L34 R39 Q40 L41L13-V37 HydrophobicContact CD1-CG2 3.7Å; L13-V37 HydrophobicContact CD2-CG2 3.95Å; L13-V37 HydrophobicContact CG-CG2 4.39Å; S33-V37 WeakPolarHBondContact O-CG2 3.09Å; S33-V37 PolarHBondContact O-N 3.39Å; L34-V37 PolarHBondContact O-N 3.41Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.32Å; V37-Q40 PolarHBondContact O-N 3.09Å; V37-Q40 VanDerWaalsContact O-N 3.15Å; V37-L41 HydrophobicContact CG1-CD1 4.14Å; V37-L41 HydrophobicContact CG1-CG 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.01Å
38I96.1Very high93.8Very high117 Ų11768 Ų6860%0.637%0.372SS*.Hα-helixtrans-62-41.8176.8-66.7164.5000111L34 A35 L41 S42L34-I38 WeakPolarHBondContact O-CG1 3.47Å; L34-I38 PolarHBondContact O-N 3.47Å; A35-I38 PolarHBondContact O-N 3.22Å; I38-L41 PolarHBondContact O-N 2.89Å; I38-S42 PolarHBondContact O-N 3.39Å
39R95.2Very high94.1Very high150 Ų15073.3 Ų73.357%0.56639%0.393SS*.Hα-helixtrans-61.1-44.2171.7-71.5170.9176.9134.20.8112.3P10 A35 N36 V37 L41 S42 S43P10-R39 HydrophobicContact CG-CB 4.45Å; A35-R39 WeakPolarHBondContact O-CG 3.36Å; A35-R39 PolarHBondContact O-N 3.26Å; N36-R39 PolarHBondContact O-N 3.35Å; N36-R39 PolarHBondContact OD1-NH1 3.21Å; V37-R39 VanDerWaalsContact C-N 3.34Å; V37-R39 PolarHBondContact O-N 3.32Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 2.96Å; R39-S42 WeakPolarHBondContact O-CB 3.37Å; R39-S42 PolarHBondContact O-N 3.12Å; R39-S42 VanDerWaalsContact O-N 3.14Å; R39-S43 PolarHBondContact O-N 3.4Å
40Q95.4Very high94.2Very high61 Ų6173 Ų7329%0.28539%0.39SS..Hα-helixtrans-63.5-38.6179.5-165.6179.380.600111.9I8 E9 P10 L13 N36 V37 S43 L44I8-Q40 HydrophobicContact CG2-CG 3.61Å; I8-Q40 WeakPolarHBondContact CG2-O 3.44Å; E9-Q40 WeakPolarHBondContact O-CA 3.36Å; P10-Q40 PolarHBondContact O-NE2 3.41Å; L13-Q40 HydrophobicContact CD2-CB 4.39Å; N36-Q40 WeakPolarHBondContact O-CB 3.45Å; N36-Q40 PolarHBondContact O-N 2.82Å; V37-Q40 PolarHBondContact O-N 3.09Å; V37-Q40 VanDerWaalsContact O-N 3.15Å; Q40-S43 PolarHBondContact O-N 3.37Å; Q40-L44 WeakPolarHBondContact O-CB 3.36Å; Q40-L44 PolarHBondContact O-N 3.48Å
41L96.7Very high94.3Very high99 Ų9972.2 Ų72.252%0.51838%0.383SS..Hα-helixtrans-66-39.9172.2-69.8172000112.1V37 I38 R39 L44 S45V37-L41 HydrophobicContact CG1-CD1 4.14Å; V37-L41 HydrophobicContact CG1-CG 4.46Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 3.01Å; I38-L41 PolarHBondContact O-N 2.89Å; R39-L41 VanDerWaalsContact C-N 3.33Å; R39-L41 PolarHBondContact O-N 2.96Å; L41-L44 HydrophobicContact CD2-CD2 4.48Å; L41-L44 CarbonylContact O-C 3.6Å; L41-L44 WeakPolarHBondContact O-CB 3.27Å; L41-L44 PolarHBondContact O-N 3.33Å; L41-S45 PolarHBondContact O-N 3.05Å; L41-S45 PolarHBondContact O-OG 2.86Å
42S96.6Very high94.5Very high80 Ų8073.5 Ų73.556%0.55938%0.383SS*.Hα-helixtrans-64.5-39.7174.3177.10000112.6I38 R39 S45 K46I38-S42 PolarHBondContact O-N 3.39Å; R39-S42 WeakPolarHBondContact O-CB 3.37Å; R39-S42 PolarHBondContact O-N 3.12Å; R39-S42 VanDerWaalsContact O-N 3.14Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 2.82Å; S42-K46 PolarHBondContact O-N 3.07Å
43S94.3Very high94.8Very high31 Ų3172.6 Ų72.622%0.21739%0.385CS..Hα-helixtrans-64.3-38.9172.1178.10000111.9I8 E9 R39 Q40 S45 K46 Y47I8-S43 WeakPolarHBondContact CA-OG 3.49Å; E9-S43 PolarHBondContact N-OG 2.79Å; E9-S43 WeakPolarHBondContact O-CB 3.32Å; R39-S43 PolarHBondContact O-N 3.4Å; Q40-S43 PolarHBondContact O-N 3.37Å; S43-S45 VanDerWaalsContact C-N 3.32Å; S43-S45 PolarHBondContact O-N 3.18Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-Y47 PolarHBondContact O-N 2.96Å
44L95.4Very high94.8Very high75 Ų7574.9 Ų74.939%0.39339%0.394SS..Hα-helixtrans-64.9-32.8172.5178.561.2000112.5I8 Q40 L41 Y47 A48I8-L44 HydrophobicContact CD1-CD1 3.93Å; I8-L44 HydrophobicContact CG2-CB 4.43Å; Q40-L44 WeakPolarHBondContact O-CB 3.36Å; Q40-L44 PolarHBondContact O-N 3.48Å; L41-L44 HydrophobicContact CD2-CD2 4.48Å; L41-L44 CarbonylContact O-C 3.6Å; L41-L44 WeakPolarHBondContact O-CB 3.27Å; L41-L44 PolarHBondContact O-N 3.33Å; L44-Y47 HydrophobicContact CD1-CD1 4.1Å; L44-Y47 WeakPolarHBondContact O-CB 3.4Å; L44-Y47 PolarHBondContact O-N 3.27Å; L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 2.92Å
45S96.3Very high94.9Very high79 Ų7974.4 Ų74.455%0.55239%0.391SS*.Hα-helixtrans-64-46.5172-60.20000112.1L41 S42 S43 Y47 A48 E49L41-S45 PolarHBondContact O-N 3.05Å; L41-S45 PolarHBondContact O-OG 2.86Å; S42-S45 WeakPolarHBondContact O-CB 3.41Å; S42-S45 PolarHBondContact O-N 2.82Å; S43-S45 VanDerWaalsContact C-N 3.32Å; S43-S45 PolarHBondContact O-N 3.18Å; S45-Y47 PolarHBondContact O-N 3.41Å; S45-A48 PolarHBondContact O-N 2.62Å; S45-E49 PolarHBondContact O-N 3.41Å
46K92.5Very high95.1Very high84 Ų8478.9 Ų78.937%0.36541%0.405SS..Hα-helixtrans-59-46.9173-172.5-166.5173.3-177.80111S42 S43 A48 E49 D50 E123S42-K46 PolarHBondContact O-N 3.07Å; S43-K46 PolarHBondContact O-N 2.96Å; K46-A48 PolarHBondContact O-N 3.46Å; K46-E49 PolarHBondContact O-N 2.97Å; K46-E49 VanDerWaalsContact O-N 3.13Å; K46-D50 PolarHBondContact O-N 3.41Å; K46-E123 IonicContact NZ-OE1 3.98Å; K46-E123 PolarHBondContact NZ-OE1 2.93Å; K46-E123 IonicContact NZ-OE2 3.99Å; K46-E123 PolarHBondContact NZ-OE2 3.49Å
47Y92.5Very high95.2Very high81 Ų8183.1 Ų83.132%0.31843%0.427SS..Hα-helixtrans-53.2-41.6176.9170.2-78.1000112.3R6 S43 L44 S45 L51R6-Y47 HydrophobicContact CB-CD2 3.51Å; R6-Y47 HydrophobicContact CB-CE2 3.72Å; R6-Y47 HydrophobicContact CG-CD2 4.1Å; R6-Y47 HydrophobicContact CG-CE2 4.19Å; S43-Y47 PolarHBondContact O-N 2.96Å; L44-Y47 HydrophobicContact CD1-CD1 4.1Å; L44-Y47 WeakPolarHBondContact O-CB 3.4Å; L44-Y47 PolarHBondContact O-N 3.27Å; S45-Y47 PolarHBondContact O-N 3.41Å; Y47-L51 HydrophobicContact CE1-CD2 4.04Å; Y47-L51 VanDerWaalsContact O-CB 3.31Å; Y47-L51 WeakPolarHBondContact O-CB 3.32Å; Y47-L51 PolarHBondContact O-N 2.94Å; Y47-L51 VanDerWaalsContact O-N 3.13Å
48A94.6Very high95.3Very high32 Ų3287.5 Ų87.526%0.26444%0.444SS..Hα-helixtrans-71.4-41.9179.200000111.8L44 S45 K46 L51 F52L44-A48 WeakPolarHBondContact O-CB 3.33Å; L44-A48 PolarHBondContact O-N 2.92Å; S45-A48 PolarHBondContact O-N 2.62Å; K46-A48 PolarHBondContact O-N 3.46Å; A48-L51 PolarHBondContact O-N 2.76Å; A48-F52 HydrophobicContact CB-CD2 4.41Å; A48-F52 HydrophobicContact CB-CE2 4.34Å; A48-F52 WeakPolarHBondContact O-CD2 3.09Å; A48-F52 PolarHBondContact O-N 3.31Å
49E94.6Very high95.4Very high148 Ų14884.7 Ų84.769%0.69244%0.438SS*.Hα-helixtrans-59.3-50174.2-173.3175.2-177.200111.6S45 K46 L51 F52 G53S45-E49 PolarHBondContact O-N 3.41Å; K46-E49 PolarHBondContact O-N 2.97Å; K46-E49 VanDerWaalsContact O-N 3.13Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.12Å; E49-F52 PolarHBondContact O-N 3.24Å; E49-G53 PolarHBondContact O-N 2.85Å
50D92.4Very high95.5Very high45 Ų4581.5 Ų81.524%0.24143%0.43CS..Hα-helixtrans-56.7-42.2175.8-68.8-25.4000111.9K46 E54K46-D50 PolarHBondContact O-N 3.41Å; D50-E54 PolarHBondContact O-N 2.92Å
51L93.1Very high95.7Very high52 Ų5281.7 Ų81.727%0.27244%0.438SS..Hα-helixtrans-70-46.9-178.6177.463.5000112.1Y47 A48 E49 G53 E54 L55Y47-L51 HydrophobicContact CE1-CD2 4.04Å; Y47-L51 VanDerWaalsContact O-CB 3.31Å; Y47-L51 WeakPolarHBondContact O-CB 3.32Å; Y47-L51 PolarHBondContact O-N 2.94Å; Y47-L51 VanDerWaalsContact O-N 3.13Å; A48-L51 PolarHBondContact O-N 2.76Å; E49-L51 VanDerWaalsContact C-N 3.29Å; E49-L51 PolarHBondContact O-N 3.12Å; L51-G53 VanDerWaalsContact C-N 3.31Å; L51-E54 PolarHBondContact O-N 3.02Å; L51-L55 HydrophobicContact CD1-CD1 4.33Å; L51-L55 HydrophobicContact CG-CD1 4.32Å; L51-L55 WeakPolarHBondContact O-CG 3.21Å; L51-L55 PolarHBondContact O-N 3.28Å
52F96.4Very high95.8Very high141 Ų14183 Ų8362%0.61844%0.439SS*.Hα-helixtrans-70.7-29.4177.2-69.7-56.9000111.9A48 E49 L55 F56A48-F52 HydrophobicContact CB-CD2 4.41Å; A48-F52 HydrophobicContact CB-CE2 4.34Å; A48-F52 WeakPolarHBondContact O-CD2 3.09Å; A48-F52 PolarHBondContact O-N 3.31Å; E49-F52 PolarHBondContact O-N 3.24Å; F52-L55 HydrophobicContact CD1-CD1 4.45Å; F52-F56 WeakPolarHBondContact O-CB 3.43Å; F52-F56 PolarHBondContact O-N 3.16Å
53G96.1Very high95.8Very high27 Ų2781.6 Ų81.628%0.27843%0.43SS..Hα-helixtrans-64.7-47.2171.400000113.1E49 L51 L55 F56 N57E49-G53 PolarHBondContact O-N 2.85Å; L51-G53 VanDerWaalsContact C-N 3.31Å; G53-L55 PolarHBondContact O-N 3.44Å; G53-F56 PolarHBondContact O-N 3.41Å; G53-N57 WeakPolarHBondContact O-CB 3.29Å; G53-N57 VanDerWaalsContact O-CG 3.29Å; G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 PolarHBondContact O-ND2 3.39Å
54E94.2Very high96Very high67 Ų6786 Ų8631%0.31345%0.445SS..Hα-helixtrans-55.9-50.5172.6-84.3179.1-161.900111.2K5 R6 D50 L51 N57 E58K5-E54 IonicContact NZ-OE1 2.86Å; K5-E54 IonicContact NZ-OE2 3.56Å; K5-E54 PolarHBondContact NZ-OE2 2.76Å; K5-E54 VanDerWaalsContact NZ-OE2 3.11Å; R6-E54 IonicContact CZ-OE1 3.05Å; R6-E54 IonicContact CZ-OE2 2.66Å; R6-E54 IonicContact NH2-OE1 3.45Å; R6-E54 PolarHBondContact NH2-OE1 3.3Å; R6-E54 IonicContact NH2-OE2 2.91Å; R6-E54 PolarHBondContact NH2-OE2 3.17Å; D50-E54 PolarHBondContact O-N 2.92Å; L51-E54 PolarHBondContact O-N 3.02Å; E54-N57 PolarHBondContact O-N 3.44Å; E54-E58 PolarHBondContact O-N 3.33Å; E54-E58 VanDerWaalsContact O-N 3.17Å
55L96.6Very high96.2Very high93 Ų9390.9 Ų90.949%0.48746%0.459SS..Hα-helixtrans-65.4-39.1-179.5-68170.2000113L51 F52 G53 A59L51-L55 HydrophobicContact CD1-CD1 4.33Å; L51-L55 HydrophobicContact CG-CD1 4.32Å; L51-L55 WeakPolarHBondContact O-CG 3.21Å; L51-L55 PolarHBondContact O-N 3.28Å; F52-L55 HydrophobicContact CD1-CD1 4.45Å; G53-L55 PolarHBondContact O-N 3.44Å; L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 3.27Å
56F98.1Very high96.3Very high129 Ų12989.9 Ų89.957%0.56645%0.449SS*.Hα-helixtrans-63.7-45.4176.4174.8-94.6000111.3F52 G53 E58 A59 H60F52-F56 WeakPolarHBondContact O-CB 3.43Å; F52-F56 PolarHBondContact O-N 3.16Å; G53-F56 PolarHBondContact O-N 3.41Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-E58 PolarHBondContact O-N 3.42Å; F56-A59 PolarHBondContact O-N 3.25Å; F56-H60 HydrophobicContact CE1-CB 4.37Å; F56-H60 WeakPolarHBondContact O-CB 3.4Å; F56-H60 PolarHBondContact O-N 3.19Å
57N97Very high96.6Very high103 Ų10390 Ų9055%0.55145%0.453SS*.Hα-helixtrans-62.9-40.5179.7-73.8-38.3000112.1G53 E54 S61G53-N57 WeakPolarHBondContact O-CB 3.29Å; G53-N57 VanDerWaalsContact O-CG 3.29Å; G53-N57 PolarHBondContact O-N 3.36Å; G53-N57 PolarHBondContact O-ND2 3.39Å; E54-N57 PolarHBondContact O-N 3.44Å; N57-S61 WeakPolarHBondContact O-CB 3.16Å; N57-S61 PolarHBondContact O-N 2.8Å
58E97.4Very high96.9Very high144 Ų14489.2 Ų89.267%0.67346%0.46SS*.Hα-helixtrans-65.6-47.2174.5-173.6171.3-162.900111.9E54 F56 H60 S61 F62E54-E58 PolarHBondContact O-N 3.33Å; E54-E58 VanDerWaalsContact O-N 3.17Å; F56-E58 VanDerWaalsContact C-N 3.35Å; F56-E58 PolarHBondContact O-N 3.42Å; E58-H60 VanDerWaalsContact C-N 3.32Å; E58-H60 PolarHBondContact O-N 3.49Å; E58-S61 PolarHBondContact O-N 3.25Å; E58-F62 WeakPolarHBondContact O-CB 3.15Å; E58-F62 PolarHBondContact O-N 3.02Å
59A98.3Very high97Very high58 Ų5892.6 Ų92.648%0.47947%0.473SS..Hα-helixtrans-63.6-34.8177.200000113L55 F56 F62 S63L55-A59 WeakPolarHBondContact O-CB 3.46Å; L55-A59 PolarHBondContact O-N 3.27Å; F56-A59 PolarHBondContact O-N 3.25Å; A59-F62 PolarHBondContact O-N 3.32Å; A59-S63 PolarHBondContact O-N 3Å
60H98Very high97.2Very high83 Ų8390.2 Ų90.238%0.38446%0.462SS..Hα-helixtrans-70.6-42.9176.9-16944.2000111.3F56 E58 F62 S63 F64F56-H60 HydrophobicContact CE1-CB 4.37Å; F56-H60 WeakPolarHBondContact O-CB 3.4Å; F56-H60 PolarHBondContact O-N 3.19Å; E58-H60 VanDerWaalsContact C-N 3.32Å; E58-H60 PolarHBondContact O-N 3.49Å; H60-F62 VanDerWaalsContact C-N 3.33Å; H60-F62 PolarHBondContact O-N 3.16Å; H60-S63 WeakPolarHBondContact O-CB 3.35Å; H60-S63 PolarHBondContact O-N 2.89Å; H60-S63 VanDerWaalsContact O-N 3.17Å; H60-F64 AromaticContact CD2-CE2 3.77Å; H60-F64 AromaticContact CE1-CE2 3.48Å; H60-F64 VanDerWaalsContact CE1-CE2 3.48Å; H60-F64 WeakPolarHBondContact CE1-CE2 3.44Å; H60-F64 AromaticContact CE1-CZ 3.68Å; H60-F64 AromaticContact ND1-CE2 3.9Å; H60-F64 AromaticContact NE2-CE2 3.38Å; H60-F64 WeakPolarHBondContact NE2-CE2 3.47Å; H60-F64 AromaticContact NE2-CZ 3.74Å; H60-F64 VanDerWaalsContact O-CD2 3.25Å; H60-F64 WeakPolarHBondContact O-CD2 3.17Å; H60-F64 PolarHBondContact O-N 3.15Å; H60-F64 VanDerWaalsContact O-N 3.1Å
61S98.2Very high97.5Very high65 Ų6592.7 Ų92.746%0.45547%0.472SS..Hα-helixtrans-59-42.6170.4-178.80000112N57 E58 F64 R65N57-S61 WeakPolarHBondContact O-CB 3.16Å; N57-S61 PolarHBondContact O-N 2.8Å; E58-S61 PolarHBondContact O-N 3.25Å; S61-F64 PolarHBondContact O-N 3.27Å; S61-R65 WeakPolarHBondContact O-CG 3.27Å; S61-R65 PolarHBondContact O-N 3.09Å
62F98.3Very high97.8Very high125 Ų12597.9 Ų97.955%0.54849%0.488SS..Hα-helixtrans-61.7-42.9172.7179.8-104.4000112.2E58 A59 H60 F64 R65 V66E58-F62 WeakPolarHBondContact O-CB 3.15Å; E58-F62 PolarHBondContact O-N 3.02Å; A59-F62 PolarHBondContact O-N 3.32Å; H60-F62 VanDerWaalsContact C-N 3.33Å; H60-F62 PolarHBondContact O-N 3.16Å; F62-F64 PolarHBondContact O-N 3.24Å; F62-R65 WeakPolarHBondContact O-CB 3.32Å; F62-R65 PolarHBondContact O-N 3.34Å; F62-R65 VanDerWaalsContact O-N 3.15Å; F62-V66 HydrophobicContact CD1-CG2 3.97Å; F62-V66 HydrophobicContact CD2-CG2 4.28Å; F62-V66 HydrophobicContact CE1-CG2 3.52Å; F62-V66 HydrophobicContact CE2-CG2 3.86Å; F62-V66 HydrophobicContact CG-CG2 4.33Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 3.28Å
63S98.4Very high97.9Very high51 Ų5194.7 Ų94.736%0.35748%0.48SS..Hα-helixtrans-59-45.6177.4-178.20000112.6A59 H60 R65 V66 N67A59-S63 PolarHBondContact O-N 3Å; H60-S63 WeakPolarHBondContact O-CB 3.35Å; H60-S63 PolarHBondContact O-N 2.89Å; H60-S63 VanDerWaalsContact O-N 3.17Å; S63-R65 VanDerWaalsContact C-N 3.31Å; S63-R65 PolarHBondContact O-N 2.97Å; S63-V66 PolarHBondContact O-N 3.36Å; S63-N67 WeakPolarHBondContact O-CB 3.17Å; S63-N67 PolarHBondContact O-N 2.86Å; S63-N67 PolarHBondContact O-ND2 3.33Å; S63-N67 PolarHBondContact O-OD1 3.17Å
64F98.4Very high98Very high125 Ų12597 Ų9755%0.54849%0.486SS..Hα-helixtrans-59.3-41.8174.3-74.2-65.5000112.6H60 S61 F62 S68H60-F64 AromaticContact CD2-CE2 3.77Å; H60-F64 AromaticContact CE1-CE2 3.48Å; H60-F64 VanDerWaalsContact CE1-CE2 3.48Å; H60-F64 WeakPolarHBondContact CE1-CE2 3.44Å; H60-F64 AromaticContact CE1-CZ 3.68Å; H60-F64 AromaticContact ND1-CE2 3.9Å; H60-F64 AromaticContact NE2-CE2 3.38Å; H60-F64 WeakPolarHBondContact NE2-CE2 3.47Å; H60-F64 AromaticContact NE2-CZ 3.74Å; H60-F64 VanDerWaalsContact O-CD2 3.25Å; H60-F64 WeakPolarHBondContact O-CD2 3.17Å; H60-F64 PolarHBondContact O-N 3.15Å; H60-F64 VanDerWaalsContact O-N 3.1Å; S61-F64 PolarHBondContact O-N 3.27Å; F62-F64 PolarHBondContact O-N 3.24Å; F64-S68 WeakPolarHBondContact O-CB 3.35Å; F64-S68 PolarHBondContact O-N 2.95Å
65R98.4Very high98.2Very high177 Ų177100.1 Ų100.167%0.66850%0.495SS*.Hα-helixtrans-64.9-41.6177.5-69.4168.461.7-167.1-0.3112S61 F62 S63 L69S61-R65 WeakPolarHBondContact O-CG 3.27Å; S61-R65 PolarHBondContact O-N 3.09Å; F62-R65 WeakPolarHBondContact O-CB 3.32Å; F62-R65 PolarHBondContact O-N 3.34Å; F62-R65 VanDerWaalsContact O-N 3.15Å; S63-R65 VanDerWaalsContact C-N 3.31Å; S63-R65 PolarHBondContact O-N 2.97Å; R65-L69 VanDerWaalsContact O-CB 3.24Å; R65-L69 WeakPolarHBondContact O-CB 3.34Å; R65-L69 PolarHBondContact O-N 3.35Å
66V98.6Very high98.3Very high58 Ų58100.9 Ų100.935%0.35250%0.499SS..Hα-helixtrans-65.3-47.9176.3170.20000111F62 S63 S68 L69 Q70F62-V66 HydrophobicContact CD1-CG2 3.97Å; F62-V66 HydrophobicContact CD2-CG2 4.28Å; F62-V66 HydrophobicContact CE1-CG2 3.52Å; F62-V66 HydrophobicContact CE2-CG2 3.86Å; F62-V66 HydrophobicContact CG-CG2 4.33Å; F62-V66 HydrophobicContact CZ-CG2 3.46Å; F62-V66 VanDerWaalsContact CZ-CG2 3.46Å; F62-V66 WeakPolarHBondContact O-CG2 3.46Å; F62-V66 PolarHBondContact O-N 3.28Å; S63-V66 PolarHBondContact O-N 3.36Å; V66-S68 PolarHBondContact O-N 3.21Å; V66-L69 PolarHBondContact O-N 3.01Å; V66-Q70 WeakPolarHBondContact O-CB 3.4Å; V66-Q70 PolarHBondContact O-N 2.77Å
67N98.4Very high98.3Very high86 Ų8698.1 Ų98.146%0.4650%0.495SS..Hα-helixtrans-60.9-46.8-179.9-63.3-13.8000111.2S63 L69 Q70 E71S63-N67 WeakPolarHBondContact O-CB 3.17Å; S63-N67 PolarHBondContact O-N 2.86Å; S63-N67 PolarHBondContact O-ND2 3.33Å; S63-N67 PolarHBondContact O-OD1 3.17Å; N67-L69 VanDerWaalsContact C-N 3.31Å; N67-L69 PolarHBondContact O-N 2.79Å; N67-Q70 PolarHBondContact O-N 3.18Å; N67-E71 PolarHBondContact O-N 3.13Å; N67-E71 VanDerWaalsContact O-N 3.13Å
68S98.6Very high98.3Very high65 Ų6597.9 Ų97.946%0.45549%0.493SS..Hα-helixtrans-63.9-34.1176.7-1740000113F64 V66 R72F64-S68 WeakPolarHBondContact O-CB 3.35Å; F64-S68 PolarHBondContact O-N 2.95Å; V66-S68 PolarHBondContact O-N 3.21Å; S68-R72 WeakPolarHBondContact O-CD 3.4Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.36Å; S68-R72 PolarHBondContact O-N 2.84Å
69L98.6Very high98.3Very high103 Ų10394.2 Ų94.254%0.53948%0.483SS..Hα-helixtrans-71.7-42.8174.4-179.160000111.8R65 V66 N67 R72 V73R65-L69 VanDerWaalsContact O-CB 3.24Å; R65-L69 WeakPolarHBondContact O-CB 3.34Å; R65-L69 PolarHBondContact O-N 3.35Å; V66-L69 PolarHBondContact O-N 3.01Å; N67-L69 VanDerWaalsContact C-N 3.31Å; N67-L69 PolarHBondContact O-N 2.79Å; L69-R72 WeakPolarHBondContact O-CB 3.29Å; L69-R72 PolarHBondContact O-N 2.98Å; L69-R72 VanDerWaalsContact O-N 3.11Å; L69-V73 HydrophobicContact CD1-CG2 4.35Å; L69-V73 HydrophobicContact CG-CG2 4.46Å; L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 3.22Å
70Q98.4Very high98.2Very high98 Ų9895.6 Ų95.646%0.45849%0.485SS..Hα-helixtrans-58.5-53.7180-175.660.153.200110.7V66 N67 R72 V73 D74V66-Q70 WeakPolarHBondContact O-CB 3.4Å; V66-Q70 PolarHBondContact O-N 2.77Å; N67-Q70 PolarHBondContact O-N 3.18Å; Q70-R72 PolarHBondContact O-N 3.19Å; Q70-R72 VanDerWaalsContact O-N 3.11Å; Q70-V73 CarbonylContact O-C 3.55Å; Q70-V73 WeakPolarHBondContact O-CA 3.45Å; Q70-V73 WeakPolarHBondContact O-CB 3.43Å; Q70-V73 PolarHBondContact O-N 3.06Å; Q70-D74 PolarHBondContact NE2-OD1 2.65Å; Q70-D74 PolarHBondContact O-N 3.22Å
71E98.4Very high98.1Very high97 Ų9797.2 Ų97.245%0.45350%0.501SS..Hα-helixtrans-57.8-32.3177.2-63.3178-160.400112.8N67 R75N67-E71 PolarHBondContact O-N 3.13Å; N67-E71 VanDerWaalsContact O-N 3.13Å; E71-R75 WeakPolarHBondContact O-CB 3.05Å; E71-R75 VanDerWaalsContact O-CG 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.42Å; E71-R75 PolarHBondContact O-N 2.94Å; E71-R75 PolarHBondContact O-NE 3.24Å; E71-R75 VanDerWaalsContact O-NE 3.1Å; E71-R75 IonicContact OE2-CZ 2.81Å; E71-R75 VanDerWaalsContact OE2-CZ 3.23Å; E71-R75 IonicContact OE2-NH1 2.71Å; E71-R75 PolarHBondContact OE2-NH1 3.27Å; E71-R75 IonicContact OE2-NH2 3.78Å; E71-R75 PolarHBondContact OE2-NH2 3.28Å
72R98.5Very high98Very high161 Ų161101.1 Ų101.161%0.60851%0.513SS*.Hα-helixtrans-72-37.3176.4-75.5176.265-169.4-1.4111.7S68 L69 Q70 L76S68-R72 WeakPolarHBondContact O-CD 3.4Å; S68-R72 VanDerWaalsContact O-CG 3.25Å; S68-R72 WeakPolarHBondContact O-CG 3.36Å; S68-R72 PolarHBondContact O-N 2.84Å; L69-R72 WeakPolarHBondContact O-CB 3.29Å; L69-R72 PolarHBondContact O-N 2.98Å; L69-R72 VanDerWaalsContact O-N 3.11Å; Q70-R72 PolarHBondContact O-N 3.19Å; Q70-R72 VanDerWaalsContact O-N 3.11Å; R72-L76 WeakPolarHBondContact O-CB 3.42Å; R72-L76 PolarHBondContact O-N 3.39Å
73V98.6Very high97.8Very high74 Ų74100.3 Ų100.345%0.44851%0.513SS..Hα-helixtrans-65.9-43.7172.7170.50000110.5L69 Q70 L76 S77L69-V73 HydrophobicContact CD1-CG2 4.35Å; L69-V73 HydrophobicContact CG-CG2 4.46Å; L69-V73 WeakPolarHBondContact O-CG2 3.49Å; L69-V73 PolarHBondContact O-N 3.22Å; Q70-V73 CarbonylContact O-C 3.55Å; Q70-V73 WeakPolarHBondContact O-CA 3.45Å; Q70-V73 WeakPolarHBondContact O-CB 3.43Å; Q70-V73 PolarHBondContact O-N 3.06Å; V73-L76 PolarHBondContact O-N 3.2Å; V73-S77 WeakPolarHBondContact O-CB 3.17Å; V73-S77 PolarHBondContact O-N 3.09Å
74D98.4Very high97.5Very high76 Ų76101.7 Ų101.741%0.40652%0.517SS..Hα-helixtrans-62.4-48.7179.3-58.9-33.5000111.4Q70 L76 S77 I78Q70-D74 PolarHBondContact NE2-OD1 2.65Å; Q70-D74 PolarHBondContact O-N 3.22Å; D74-L76 PolarHBondContact O-N 2.81Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.2Å; D74-I78 WeakPolarHBondContact O-CG1 3.32Å; D74-I78 PolarHBondContact O-N 2.66Å; D74-I78 VanDerWaalsContact O-N 3.17Å
75R98.1Very high97.1Very high132 Ų132101.1 Ų101.150%0.49853%0.525SS..Hα-helixtrans-61.7-42.1175-73.1179.5-70.3-116.70.2112E71 I78 S79E71-R75 WeakPolarHBondContact O-CB 3.05Å; E71-R75 VanDerWaalsContact O-CG 3.31Å; E71-R75 WeakPolarHBondContact O-CG 3.42Å; E71-R75 PolarHBondContact O-N 2.94Å; E71-R75 PolarHBondContact O-NE 3.24Å; E71-R75 VanDerWaalsContact O-NE 3.1Å; E71-R75 IonicContact OE2-CZ 2.81Å; E71-R75 VanDerWaalsContact OE2-CZ 3.23Å; E71-R75 IonicContact OE2-NH1 2.71Å; E71-R75 PolarHBondContact OE2-NH1 3.27Å; E71-R75 IonicContact OE2-NH2 3.78Å; E71-R75 PolarHBondContact OE2-NH2 3.28Å; R75-I78 PolarHBondContact O-N 3.33Å; R75-S79 PolarHBondContact O-N 3.3Å; R75-S79 PolarHBondContact O-OG 3.26Å
76L98.3Very high96.7Very high108 Ų108101.9 Ų101.957%0.56553%0.534SS*.Hα-helixtrans-65.9-39.2177.9-178.662000112.1R72 V73 D74 I78 S79 V80R72-L76 WeakPolarHBondContact O-CB 3.42Å; R72-L76 PolarHBondContact O-N 3.39Å; V73-L76 PolarHBondContact O-N 3.2Å; D74-L76 PolarHBondContact O-N 2.81Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.5Å; L76-S79 PolarHBondContact O-N 2.79Å; L76-V80 HydrophobicContact CD1-CG2 4.03Å; L76-V80 HydrophobicContact CG-CG2 4.25Å; L76-V80 WeakPolarHBondContact O-CB 3.49Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 3.36Å
77S98.1Very high96.3Very high71 Ų71106.9 Ų106.950%0.49755%0.553SS.*Hα-helixtrans-59.3-44.2175.8-174.50000111.3V73 D74 T81V73-S77 WeakPolarHBondContact O-CB 3.17Å; V73-S77 PolarHBondContact O-N 3.09Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.2Å; S77-T81 WeakPolarHBondContact O-CB 3.28Å; S77-T81 PolarHBondContact O-N 3.31Å; S77-T81 PolarHBondContact O-OG1 2.85Å
78I97.5Very high95.8Very high99 Ų99108.7 Ų108.751%0.50856%0.559SS.*Hα-helixtrans-61.9-49.1173.7-64.8166.7000110.7D74 R75 L76 V80 T81 Q82D74-I78 WeakPolarHBondContact O-CG1 3.32Å; D74-I78 PolarHBondContact O-N 2.66Å; D74-I78 VanDerWaalsContact O-N 3.17Å; R75-I78 PolarHBondContact O-N 3.33Å; L76-I78 VanDerWaalsContact C-N 3.33Å; L76-I78 PolarHBondContact O-N 3.5Å; I78-V80 PolarHBondContact O-N 3.24Å; I78-T81 PolarHBondContact O-N 2.87Å; I78-Q82 WeakPolarHBondContact O-CG 3.49Å; I78-Q82 PolarHBondContact O-N 3.29Å
79S97.1Very high95.4Very high66 Ų66114.4 Ų114.446%0.46258%0.579SS.*Hα-helixtrans-61.7-42.4179.5-62.80000113.4R75 L76 T81 Q82R75-S79 PolarHBondContact O-N 3.3Å; R75-S79 PolarHBondContact O-OG 3.26Å; L76-S79 PolarHBondContact O-N 2.79Å; S79-T81 VanDerWaalsContact C-N 3.32Å; S79-T81 PolarHBondContact O-N 3.03Å; S79-Q82 PolarHBondContact O-N 3.31Å; S79-Q82 VanDerWaalsContact O-N 3.17Å
80V97.2Very high94.9Very high87 Ų87117.2 Ų117.253%0.52759%0.593SS.*Hα-helixtrans-65.6-35.8177.2169.70000111.3L76 I78 Q82 L83L76-V80 HydrophobicContact CD1-CG2 4.03Å; L76-V80 HydrophobicContact CG-CG2 4.25Å; L76-V80 WeakPolarHBondContact O-CB 3.49Å; L76-V80 WeakPolarHBondContact O-CG2 3.46Å; L76-V80 PolarHBondContact O-N 3.36Å; I78-V80 PolarHBondContact O-N 3.24Å; V80-Q82 PolarHBondContact O-N 3.17Å; V80-L83 PolarHBondContact O-N 2.95Å
81T96.1Very high94.4Very high117 Ų117114.8 Ų114.872%0.71859%0.587SS**Hα-helixtrans-70.4-16.6176.3-52.70000112.8S77 I78 S79S77-T81 WeakPolarHBondContact O-CB 3.28Å; S77-T81 PolarHBondContact O-N 3.31Å; S77-T81 PolarHBondContact O-OG1 2.85Å; I78-T81 PolarHBondContact O-N 2.87Å; S79-T81 VanDerWaalsContact C-N 3.32Å; S79-T81 PolarHBondContact O-N 3.03Å
82Q94.7Very high93.9Very high148 Ų148113.3 Ų113.369%0.69258%0.582SS**THydrogen-bonded Turntrans-96.40.8179.2-71.51766.200114.2I78 S79 V80 D84I78-Q82 WeakPolarHBondContact O-CG 3.49Å; I78-Q82 PolarHBondContact O-N 3.29Å; S79-Q82 PolarHBondContact O-N 3.31Å; S79-Q82 VanDerWaalsContact O-N 3.17Å; V80-Q82 PolarHBondContact O-N 3.17Å; Q82-D84 PolarHBondContact O-N 2.65Å
83L94.6Very high93.3Very high107 Ų107111.7 Ų111.756%0.5658%0.581SS**  trans-74.8122.3176.6-61174.2000110.6V80 P85V80-L83 PolarHBondContact O-N 2.95Å; L83-P85 WeakPolarHBondContact O-CD 3.23Å
84D93.4Very high92.8Very high80 Ų80111.2 Ų111.243%0.42858%0.576SS.*  trans-99111.7163.5-170.3-17.5000109.9Q82 K86 E87 E88Q82-D84 PolarHBondContact O-N 2.65Å; D84-K86 PolarHBondContact O-N 3.5Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 WeakPolarHBondContact OD1-CG 3.38Å; D84-K86 PolarHBondContact OD1-N 3.23Å; D84-E87 HydrophobicContact CB-CB 4.31Å; D84-E87 PolarHBondContact O-N 3.48Å; D84-E88 PolarHBondContact O-N 3.42Å
85P89.1Confident92.1Very high113 Ų113111.8 Ų111.873%0.73458%0.578SS**THydrogen-bonded Turntrans-61.1-3.4175.6-23.735000115.5L83L83-P85 WeakPolarHBondContact O-CD 3.23Å
86K89.9Confident91.5Very high194 Ų194106.6 Ų106.684%0.84356%0.561SS**THydrogen-bonded Turntrans-95.8-17.3172.9-59.4174.1-174.6169.60113.7D84D84-K86 PolarHBondContact O-N 3.5Å; D84-K86 WeakPolarHBondContact OD1-CB 3.39Å; D84-K86 WeakPolarHBondContact OD1-CG 3.38Å; D84-K86 PolarHBondContact OD1-N 3.23Å
87E90.1Very high90.9Very high163 Ų163108.2 Ų108.276%0.76257%0.568SS**THydrogen-bonded Turntrans-101.7-16.5177.4-166.5172.1-175.900111.9D84 E89D84-E87 HydrophobicContact CB-CB 4.31Å; D84-E87 PolarHBondContact O-N 3.48Å; E87-E89 PolarHBondContact O-N 2.87Å
88E88.5Confident90.4Very high124 Ų124112.4 Ų112.458%0.57957%0.572SS**  trans-71.786.6179.8-166.6177.3170.900113.3D84D84-E88 PolarHBondContact O-N 3.42Å
89E89.4Confident90Very high185 Ų185115.6 Ų115.686%0.86458%0.583SS**  trans-74.7123173.2-67.7-166.416600113.1E87 S91E87-E89 PolarHBondContact O-N 2.87Å; E89-S91 PolarHBondContact O-N 2.94Å
90L87.4Confident89.7Confident162 Ų162115.8 Ų115.885%0.84859%0.589SS**  trans-79110.2178.7-63.9178000112.5
91S87.8Confident89.5Confident46 Ų46120.1 Ų120.132%0.32260%0.6SS.*  trans-92.8124.5-178.5-173.10000114.1E89 Q93 D94E89-S91 PolarHBondContact O-N 2.94Å; S91-Q93 PolarHBondContact O-N 3.28Å; S91-Q93 VanDerWaalsContact O-N 3.16Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 WeakPolarHBondContact OG-CG 3.35Å; S91-Q93 PolarHBondContact OG-N 3.14Å; S91-D94 WeakPolarHBondContact O-CB 3.39Å; S91-D94 PolarHBondContact O-N 3.05Å; S91-D94 VanDerWaalsContact O-N 3.17Å
92L87.9Confident89.4Confident67 Ų67123.2 Ų123.235%0.35160%0.599SS.*G310 helixtrans-67.2-10171.3-62.1178.1000113.6D94 I95 T96 V497 L498L92-D94 PolarHBondContact O-N 2.76Å; L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 PolarHBondContact O-N 2.73Å; L92-T96 PolarHBondContact O-OG1 2.85Å; L92-V497 HydrophobicContact CD1-CG1 3.89Å; L92-L498 HydrophobicContact CD1-CB 4.36Å; L92-L498 HydrophobicContact CD2-CD1 3.78Å
93Q87Confident89.5Confident127 Ų127120.2 Ų120.259%0.59360%0.595SS**G310 helixtrans-65.7-27.6172.3-58172.310.300111.1S91 I95 T96 M97S91-Q93 PolarHBondContact O-N 3.28Å; S91-Q93 VanDerWaalsContact O-N 3.16Å; S91-Q93 WeakPolarHBondContact OG-CB 3.39Å; S91-Q93 WeakPolarHBondContact OG-CG 3.35Å; S91-Q93 PolarHBondContact OG-N 3.14Å; Q93-I95 PolarHBondContact O-N 3.25Å; Q93-T96 PolarHBondContact O-N 3.4Å; Q93-T96 VanDerWaalsContact O-N 3.12Å; Q93-T96 PolarHBondContact O-OG1 3.32Å; Q93-M97 HydrophobicContact CB-CG 4.45Å; Q93-M97 WeakPolarHBondContact O-CB 3.41Å; Q93-M97 PolarHBondContact O-N 3.07Å
94D87.1Confident89.5Confident63 Ų63119.7 Ų119.734%0.33760%0.6SS.*G310 helixtrans-69.1-24.6-178.1-72.229.3000112.9S91 L92 T96 R98S91-D94 WeakPolarHBondContact O-CB 3.39Å; S91-D94 PolarHBondContact O-N 3.05Å; S91-D94 VanDerWaalsContact O-N 3.17Å; L92-D94 PolarHBondContact O-N 2.76Å; D94-T96 VanDerWaalsContact C-N 3.32Å; D94-R98 VanDerWaalsContact CG-NH1 3.33Å; D94-R98 IonicContact OD1-CZ 2.77Å; D94-R98 IonicContact OD1-NE 2.84Å; D94-R98 PolarHBondContact OD1-NE 3.04Å; D94-R98 IonicContact OD1-NH1 2.88Å; D94-R98 PolarHBondContact OD1-NH1 2.95Å; D94-R98 IonicContact OD1-NH2 3.65Å; D94-R98 PolarHBondContact OD1-NH2 3.2Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 2.73Å; D94-R98 IonicContact OD2-NH1 2.74Å; D94-R98 PolarHBondContact OD2-NH1 2.89Å; D94-R98 IonicContact OD2-NH2 3.18Å
95I84.6Confident89.5Confident88 Ų88121.8 Ų121.845%0.45162%0.615SS.*G310 helixtrans-75.9-21.4176.1-61.9168.8000111.6L92 Q93 L498L92-I95 HydrophobicContact CD2-CD1 3.8Å; L92-I95 PolarHBondContact O-N 2.73Å; Q93-I95 PolarHBondContact O-N 3.25Å; I95-L498 HydrophobicContact CD1-CD1 4.5Å
96T84.9Confident89.6Confident24 Ų24123 Ų12315%0.14761%0.614CS.*THydrogen-bonded Turntrans-125.7-39.1-165.849.40000115L92 Q93 D94 A501 K504 L508L92-T96 PolarHBondContact O-OG1 2.85Å; Q93-T96 PolarHBondContact O-N 3.4Å; Q93-T96 VanDerWaalsContact O-N 3.12Å; Q93-T96 PolarHBondContact O-OG1 3.32Å; D94-T96 VanDerWaalsContact C-N 3.32Å; T96-A501 HydrophobicContact CG2-CB 3.87Å; T96-A501 WeakPolarHBondContact CG2-O 3.42Å; T96-K504 HydrophobicContact CG2-CB 4.01Å; T96-L508 VanDerWaalsContact O-CD1 3.23Å; T96-L508 WeakPolarHBondContact O-CD1 3.45Å
97M86.6Confident89.7Confident142 Ų142120.6 Ų120.670%0.761%0.606SS**THydrogen-bonded Turntrans-102.4-22.1-174.8-56.1-72.38800112.7Q93Q93-M97 HydrophobicContact CB-CG 4.45Å; Q93-M97 WeakPolarHBondContact O-CB 3.41Å; Q93-M97 PolarHBondContact O-N 3.07Å
98R87.6Confident89.8Confident158 Ų158119.5 Ų119.560%0.59661%0.606SS**SBendtrans-97.7144.4173.1-58-174.1-169.6172.63.8109.9D94D94-R98 VanDerWaalsContact CG-NH1 3.33Å; D94-R98 IonicContact OD1-CZ 2.77Å; D94-R98 IonicContact OD1-NE 2.84Å; D94-R98 PolarHBondContact OD1-NE 3.04Å; D94-R98 IonicContact OD1-NH1 2.88Å; D94-R98 PolarHBondContact OD1-NH1 2.95Å; D94-R98 IonicContact OD1-NH2 3.65Å; D94-R98 PolarHBondContact OD1-NH2 3.2Å; D94-R98 IonicContact OD2-CZ 2.68Å; D94-R98 IonicContact OD2-NE 2.73Å; D94-R98 IonicContact OD2-NH1 2.74Å; D94-R98 PolarHBondContact OD2-NH1 2.89Å; D94-R98 IonicContact OD2-NH2 3.18Å
99K89.7Confident89.9Confident166 Ų166117.2 Ų117.272%0.72260%0.595SS**PPolyproline II helixtrans-76.6137.6169.7-65.3-158.3179.7-159.90109.7E512K99-E512 WeakPolarHBondContact CE-OE1 3.41Å; K99-E512 IonicContact NZ-OE1 2.75Å; K99-E512 PolarHBondContact NZ-OE1 2.99Å
100A89.4Confident90Very high71 Ų71113.5 Ų113.559%0.58758%0.577SS**PPolyproline II helixtrans-60.5145.817200000111.2R102A100-R102 PolarHBondContact O-NH1 3.19Å
101F94.3Very high90.2Very high177 Ų177111 Ų11178%0.77656%0.564SS**PPolyproline II helixtrans-53.5148.8178.1176.1-102.4000112.5
102R94.4Very high90.4Very high183 Ų183118.1 Ų118.169%0.69159%0.59SS**  trans-135.5128.1173.7-65.6-66.4180-94.93.3108.9A100A100-R102 PolarHBondContact O-NH1 3.19Å
103S95.9Very high90.5Very high85 Ų85118.9 Ų118.959%0.59459%0.594SS**  trans-69.4165.3165.645.60000110.7T105S103-T105 PolarHBondContact O-N 2.85Å
104S94.4Very high90.7Very high96 Ų96121.5 Ų121.567%0.67160%0.599SS**  trans-64.5134.4167.6-1740000110.1
105T93.1Very high91Very high123 Ų123124.9 Ų124.976%0.75562%0.622SS**  trans-120.519.3176.451.70000112S103S103-T105 PolarHBondContact O-N 2.85Å
106I92.4Very high91.4Very high139 Ų139123.6 Ų123.671%0.71362%0.621SS**  trans-62.4134.6174.5-59.8171.5000109
107Q91.3Very high91.7Very high144 Ų144125.1 Ų125.167%0.67363%0.628SS**  trans-129.7124.8175.6-65.9-178.3-4.900108.5Q109Q107-Q109 PolarHBondContact O-N 3.3Å
108D91.8Very high91.9Very high140 Ų140119.8 Ų119.875%0.74960%0.604SS**  trans-75125.8-179.1-58.4-38.6000110.2L111D108-L111 HydrophobicContact CB-CD2 3.99Å
109Q91Very high92Very high76 Ų76117 Ų11736%0.35560%0.604SS.*  trans-137.7173.6-178.6-68.7-16879.400110Q107 L111 D527Q107-Q109 PolarHBondContact O-N 3.3Å; Q109-L111 PolarHBondContact O-N 2.96Å; Q109-D527 PolarHBondContact NE2-OD1 2.91Å; Q109-D527 PolarHBondContact OE1-OD1 3.38Å
110Q91.4Very high92Very high106 Ų106109.5 Ų109.550%0.49557%0.573SS.*  trans51.938.6-177-53.4-60.1-2.500114.2F112 D113Q110-F112 PolarHBondContact O-N 3.06Å; Q110-D113 PolarHBondContact O-N 3.31Å; Q110-D113 VanDerWaalsContact O-N 3.1Å
111L91.4Very high92Very high109 Ų109107.8 Ų107.857%0.57155%0.553SS**THydrogen-bonded Turntrans-58.2-11-173.5-55.8178.8000115.4D108 Q109 S116D108-L111 HydrophobicContact CB-CD2 3.99Å; Q109-L111 PolarHBondContact O-N 2.96Å; L111-S116 PolarHBondContact O-OG 3.43Å
112F91.3Very high91.9Very high197 Ų197101.9 Ų101.986%0.86453%0.528SS*.THydrogen-bonded Turntrans-116.120.4-176.7-58.1-70.1000113.6Q110Q110-F112 PolarHBondContact O-N 3.06Å
113D91.7Very high91.7Very high83 Ų8397.4 Ų97.444%0.44452%0.515SS..SBendtrans-56.8157.2169.9-83.3-16.5000112.5Q110 T115 S116Q110-D113 PolarHBondContact O-N 3.31Å; Q110-D113 VanDerWaalsContact O-N 3.1Å; D113-T115 PolarHBondContact O-N 3.17Å; D113-T115 VanDerWaalsContact O-N 3.08Å; D113-S116 PolarHBondContact O-N 2.99Å; D113-S116 PolarHBondContact O-OG 3.31Å; D113-S116 VanDerWaalsContact O-OG 3.06Å
114R91.3Very high91.4Very high181 Ų18196.1 Ų96.168%0.68351%0.506SS*.G310 helixtrans-59.1-24178.4-76.4-73.3144.7113.8-1.9113.6
115T92.8Very high91.3Very high135 Ų13594.5 Ų94.583%0.82849%0.489SS*.G310 helixtrans-78-19.3176.547.70000114.1D113D113-T115 PolarHBondContact O-N 3.17Å; D113-T115 VanDerWaalsContact O-N 3.08Å
116S92.5Very high91.3Very high61 Ų6194.8 Ų94.843%0.42748%0.482SS..G310 helixtrans-93.4-1.3175.873.80000113.4L111 D113 P118L111-S116 PolarHBondContact O-OG 3.43Å; D113-S116 PolarHBondContact O-N 2.99Å; D113-S116 PolarHBondContact O-OG 3.31Å; D113-S116 VanDerWaalsContact O-OG 3.06Å; S116-P118 WeakPolarHBondContact O-CD 3Å
117L91Very high91.3Very high55 Ų5594 Ų9429%0.28848%0.483SS..SBendtrans-67.9122-179.6-167.568000110.7L121 Q122 L125L117-L121 HydrophobicContact CD1-CB 3.89Å; L117-L121 HydrophobicContact CD1-CD1 4.17Å; L117-L121 HydrophobicContact CD2-CB 4.43Å; L117-L121 HydrophobicContact CG-CB 4.02Å; L117-Q122 HydrophobicContact CD2-CB 4.29Å; L117-L125 HydrophobicContact CD2-CD2 4.01Å
118P90.6Very high91.5Very high30 Ų3090.9 Ų90.920%0.19548%0.477CS..  trans-60.2141.9178.4-24.133.8000112.3K5 S116 P120 L121 Q122K5-P118 HydrophobicContact CD-CG 4.3Å; S116-P118 WeakPolarHBondContact O-CD 3Å; P118-P120 VanDerWaalsContact C-N 3.34Å; P118-P120 VanDerWaalsContact O-N 3.15Å; P118-L121 WeakPolarHBondContact O-CA 3.48Å; P118-L121 WeakPolarHBondContact O-CB 3.42Å; P118-L121 PolarHBondContact O-N 2.91Å; P118-Q122 PolarHBondContact O-N 3.18Å
119V90.8Very high91.7Very high99 Ų9993.4 Ų93.460%0.648%0.484SS*.Hα-helixtrans-48.8-44.4-176.11780000113.5L121 Q122 E123V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 2.91Å; V119-Q122 CarbonylContact O-C 3.56Å; V119-Q122 WeakPolarHBondContact O-CA 3.25Å; V119-Q122 WeakPolarHBondContact O-CB 3.46Å; V119-Q122 PolarHBondContact O-N 3.22Å; V119-E123 HydrophobicContact CG1-CG 4.43Å; V119-E123 PolarHBondContact O-N 3.34Å
120P89.7Confident92Very high10 Ų1097.2 Ų97.27%0.06550%0.502CS..Hα-helixtrans-67.7-25179.5-23.136.8000114.5K5 R6 P118 S124K5-P120 WeakPolarHBondContact O-CB 3.03Å; R6-P120 HydrophobicContact CG-CB 3.85Å; R6-P120 HydrophobicContact CG-CG 3.92Å; P118-P120 VanDerWaalsContact C-N 3.34Å; P118-P120 VanDerWaalsContact O-N 3.15Å; P120-S124 PolarHBondContact O-N 3.27Å; P120-S124 PolarHBondContact O-OG 2.71Å
121L89.8Confident92.2Very high34 Ų3495 Ų9518%0.17850%0.496CS..Hα-helixtrans-79.5-30.2170.4-68.7-178.4000111.7L117 P118 V119 S124 L125L117-L121 HydrophobicContact CD1-CB 3.89Å; L117-L121 HydrophobicContact CD1-CD1 4.17Å; L117-L121 HydrophobicContact CD2-CB 4.43Å; L117-L121 HydrophobicContact CG-CB 4.02Å; P118-L121 WeakPolarHBondContact O-CA 3.48Å; P118-L121 WeakPolarHBondContact O-CB 3.42Å; P118-L121 PolarHBondContact O-N 2.91Å; V119-L121 VanDerWaalsContact C-N 3.29Å; V119-L121 PolarHBondContact O-N 2.91Å; L121-S124 PolarHBondContact O-N 3.06Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 PolarHBondContact O-N 2.75Å
122Q91.9Very high92.4Very high53 Ų5392.5 Ų92.525%0.24849%0.487CS..Hα-helixtrans-69.1-40.9170.9-17368.745.300111.6L117 P118 V119 S124 L125 H126L117-Q122 HydrophobicContact CD2-CB 4.29Å; P118-Q122 PolarHBondContact O-N 3.18Å; V119-Q122 CarbonylContact O-C 3.56Å; V119-Q122 WeakPolarHBondContact O-CA 3.25Å; V119-Q122 WeakPolarHBondContact O-CB 3.46Å; V119-Q122 PolarHBondContact O-N 3.22Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 3.18Å; Q122-L125 PolarHBondContact O-N 2.88Å; Q122-H126 PolarHBondContact NE2-CE1 3.46Å; Q122-H126 VanDerWaalsContact NE2-CE1 3.31Å; Q122-H126 PolarHBondContact NE2-NE2 3.46Å; Q122-H126 PolarHBondContact O-N 2.68Å; Q122-H126 PolarHBondContact O-ND1 3.37Å; Q122-H126 VanDerWaalsContact O-ND1 3.14Å
123E90.4Very high92.7Very high90 Ų9087.7 Ų87.742%0.42148%0.475SS..Hα-helixtrans-56.9-46.2169.8-71.8-177.8163.800111.3K46 V119 L125 H126 T127K46-E123 IonicContact NZ-OE1 3.98Å; K46-E123 PolarHBondContact NZ-OE1 2.93Å; K46-E123 IonicContact NZ-OE2 3.99Å; K46-E123 PolarHBondContact NZ-OE2 3.49Å; V119-E123 HydrophobicContact CG1-CG 4.43Å; V119-E123 PolarHBondContact O-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 2.77Å; E123-H126 PolarHBondContact O-N 2.98Å; E123-T127 PolarHBondContact O-N 2.9Å; E123-T127 PolarHBondContact O-OG1 3.33Å
124S89.7Confident92.9Very high57 Ų5786.3 Ų86.340%0.39947%0.468SS..Hα-helixtrans-61.7-42.2176.6-58.20000111.8P120 L121 Q122 T127P120-S124 PolarHBondContact O-N 3.27Å; P120-S124 PolarHBondContact O-OG 2.71Å; L121-S124 PolarHBondContact O-N 3.06Å; Q122-S124 VanDerWaalsContact C-N 3.33Å; Q122-S124 PolarHBondContact O-N 3.18Å; S124-T127 WeakPolarHBondContact O-CB 3.45Å; S124-T127 PolarHBondContact O-N 3.16Å; S124-T127 VanDerWaalsContact O-N 3.13Å
125L91.6Very high93.1Very high62 Ų6281.1 Ų81.133%0.32545%0.454SS..Hα-helixtrans-65.7-39.7180-178.462000112.6L117 L121 Q122 E123 T127 C128L117-L125 HydrophobicContact CD2-CD2 4.01Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 PolarHBondContact O-N 2.75Å; Q122-L125 PolarHBondContact O-N 2.88Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-L125 PolarHBondContact O-N 2.77Å; L125-T127 PolarHBondContact O-N 3.26Å; L125-C128 WeakPolarHBondContact O-CB 3.39Å; L125-C128 PolarHBondContact O-N 2.69Å; L125-C128 VanDerWaalsContact O-N 3.12Å
126H92.8Very high93.3Very high129 Ų12980.3 Ų80.360%0.59744%0.443SS*.THydrogen-bonded Turntrans-66.6-12173.7-63.8140.4000113.8Q122 E123Q122-H126 PolarHBondContact NE2-CE1 3.46Å; Q122-H126 VanDerWaalsContact NE2-CE1 3.31Å; Q122-H126 PolarHBondContact NE2-NE2 3.46Å; Q122-H126 PolarHBondContact O-N 2.68Å; Q122-H126 PolarHBondContact O-ND1 3.37Å; Q122-H126 VanDerWaalsContact O-ND1 3.14Å; E123-H126 PolarHBondContact O-N 2.98Å
127T92.9Very high93.5Very high122 Ų12281.9 Ų81.975%0.74845%0.446SS*.THydrogen-bonded Turntrans-94.9-7.2176.1-47.40000111.9E123 S124 L125E123-T127 PolarHBondContact O-N 2.9Å; E123-T127 PolarHBondContact O-OG1 3.33Å; S124-T127 WeakPolarHBondContact O-CB 3.45Å; S124-T127 PolarHBondContact O-N 3.16Å; S124-T127 VanDerWaalsContact O-N 3.13Å; L125-T127 PolarHBondContact O-N 3.26Å
128C94.6Very high93.7Very high79 Ų7981 Ų8153%0.53444%0.443SS..SBendtrans-80.9161.5173.3-64.20000111.9L125 E130L125-C128 WeakPolarHBondContact O-CB 3.39Å; L125-C128 PolarHBondContact O-N 2.69Å; L125-C128 VanDerWaalsContact O-N 3.12Å; C128-E130 PolarHBondContact O-N 3.49Å
129E97.2Very high94.1Very high194 Ų19484.7 Ų84.791%0.90747%0.467SS*.PPolyproline II helixtrans-66.6122.9173.1-172.1175.1173.300110.6
130E95.9Very high94.3Very high156 Ų15689.2 Ų89.273%0.72948%0.475SS*.PPolyproline II helixtrans-71.9148.4173-67.6-165.7153.400110.9C128C128-E130 PolarHBondContact O-N 3.49Å
131P96.1Very high94.7Very high58 Ų5893 Ų9338%0.37749%0.488SS..PPolyproline II helixtrans-63.5151.7176.329.5-36.3000111L148 Y151P131-L148 HydrophobicContact CB-CD1 3.88Å; P131-L148 HydrophobicContact CG-CD1 4.04Å; P131-L148 HydrophobicContact CG-CD2 4.45Å; P131-Y151 HydrophobicContact CB-CD1 4Å; P131-Y151 HydrophobicContact CB-CE1 3.72Å
132P96.7Very high95Very high57 Ų5799.9 Ų99.937%0.3753%0.525SS..PPolyproline II helixtrans-52.5142.3175.8-26.234.8000111.4L134P132-L134 HydrophobicContact CB-CD2 4.47Å; P132-L134 HydrophobicContact CB-CG 4.25Å; P132-L134 PolarHBondContact O-N 3.32Å
133P96Very high95.2Very high96 Ų96100.5 Ų100.562%0.62353%0.53SS*.  trans-76.948.1-168.731.8-37.9000113.5N135 I136P133-N135 PolarHBondContact O-N 2.99Å; P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 WeakPolarHBondContact O-CG2 3.38Å; P133-I136 PolarHBondContact O-N 3.49Å
134L96.4Very high95.4Very high55 Ų5599.5 Ų99.529%0.28854%0.543SS..G310 helixtrans-58.4-17.3-173.6-61.6175.3000114.1P132 I136 L137 Y151P132-L134 HydrophobicContact CB-CD2 4.47Å; P132-L134 HydrophobicContact CB-CG 4.25Å; P132-L134 PolarHBondContact O-N 3.32Å; L134-I136 PolarHBondContact O-N 2.64Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.1Å; L134-Y151 HydrophobicContact CD1-CD2 4.31Å; L134-Y151 HydrophobicContact CD1-CG 4.01Å
135N96.3Very high95.7Very high71 Ų71102.6 Ų102.638%0.3855%0.55SS..G310 helixtrans-64.8-16.2173-79.9-15.7000113.9P133 L137 T138 G147 L148P133-N135 PolarHBondContact O-N 2.99Å; N135-L137 PolarHBondContact O-N 2.96Å; N135-T138 WeakPolarHBondContact CA-OG1 3.21Å; N135-T138 WeakPolarHBondContact O-CB 3.33Å; N135-T138 PolarHBondContact O-N 3.22Å; N135-T138 PolarHBondContact O-OG1 3.18Å; N135-T138 PolarHBondContact OD1-OG1 3.4Å; N135-G147 PolarHBondContact OD1-N 2.87Å; N135-L148 WeakPolarHBondContact OD1-CB 3.22Å; N135-L148 PolarHBondContact OD1-N 3.31Å
136I97.2Very high95.9Very high118 Ų118104.4 Ų104.461%0.60556%0.557SS**G310 helixtrans-65.8-19.816872.1-174000112.7P133 L134P133-I136 WeakPolarHBondContact O-CG1 3.27Å; P133-I136 WeakPolarHBondContact O-CG2 3.38Å; P133-I136 PolarHBondContact O-N 3.49Å; L134-I136 PolarHBondContact O-N 2.64Å
137L96.2Very high96Very high95 Ų9598.6 Ų98.650%0.49753%0.532SS..G310 helixtrans-91.5-13.4176.4-61.299.4000113L134 N135 P139 Y140L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.1Å; N135-L137 PolarHBondContact O-N 2.96Å; L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å; L137-Y140 PolarHBondContact O-N 3.09Å
138T95.9Very high96.2Very high37 Ų3794.7 Ų94.723%0.22751%0.506CS..G310 helixtrans-50.4-42.7178.2-59.30000113.8N135 Y140 R141 G147N135-T138 WeakPolarHBondContact CA-OG1 3.21Å; N135-T138 WeakPolarHBondContact O-CB 3.33Å; N135-T138 PolarHBondContact O-N 3.22Å; N135-T138 PolarHBondContact O-OG1 3.18Å; N135-T138 PolarHBondContact OD1-OG1 3.4Å; T138-Y140 PolarHBondContact O-N 3.2Å; T138-Y140 VanDerWaalsContact O-N 3.09Å; T138-R141 PolarHBondContact O-N 2.79Å; T138-G147 PolarHBondContact OG1-N 2.93Å
139P97.6Very high96.3Very high107 Ų10794.5 Ų94.570%0.69550%0.496SS*.G310 helixtrans-65.9-11.3179.9-22.235.4000115.2L137L137-P139 VanDerWaalsContact C-CD 3.42Å; L137-P139 VanDerWaalsContact C-N 3.34Å
140Y96.2Very high96.3Very high193 Ų19391 Ų9176%0.75748%0.478SS*.G310 helixtrans-106.918.7-178.2-52.4-87.4000112.4L137 T138L137-Y140 PolarHBondContact O-N 3.09Å; T138-Y140 PolarHBondContact O-N 3.2Å; T138-Y140 VanDerWaalsContact O-N 3.09Å
141R96.6Very high96.3Very high90 Ų9090.6 Ų90.634%0.3447%0.471SS..  trans-106.5125-178.4-66.7-172.560.786.810.5112.6T138 D143 G144 K145 F150T138-R141 PolarHBondContact O-N 2.79Å; R141-D143 IonicContact CZ-OD1 2.72Å; R141-D143 IonicContact CZ-OD2 3.23Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 2.96Å; R141-D143 IonicContact NE-OD2 2.74Å; R141-D143 IonicContact NH2-OD1 2.78Å; R141-D143 PolarHBondContact NH2-OD1 3.24Å; R141-D143 VanDerWaalsContact NH2-OD1 3.09Å; R141-D143 IonicContact NH2-OD2 2.81Å; R141-D143 PolarHBondContact NH2-OD2 2.74Å; R141-D143 PolarHBondContact O-N 2.96Å; R141-G144 PolarHBondContact O-N 2.68Å; R141-K145 VanDerWaalsContact CD-O 3.29Å; R141-K145 WeakPolarHBondContact CD-O 3.46Å; R141-F150 VanDerWaalsContact NH2-CE2 3.31Å
142D97.5Very high96.4Very high179 Ų17991 Ų9196%0.95747%0.472SS*.THydrogen-bonded Turntrans-65.2-22.5177.5-51.8-54.9000113.7
143D96.1Very high96.4Very high65 Ų6590.3 Ų90.335%0.34847%0.466SS..THydrogen-bonded Turntrans-89.5-3.1-178.274.5-10.7000114.6R141 K145 F150R141-D143 IonicContact CZ-OD1 2.72Å; R141-D143 IonicContact CZ-OD2 3.23Å; R141-D143 IonicContact NE-OD1 3.17Å; R141-D143 PolarHBondContact NE-OD1 2.96Å; R141-D143 IonicContact NE-OD2 2.74Å; R141-D143 IonicContact NH2-OD1 2.78Å; R141-D143 PolarHBondContact NH2-OD1 3.24Å; R141-D143 VanDerWaalsContact NH2-OD1 3.09Å; R141-D143 IonicContact NH2-OD2 2.81Å; R141-D143 PolarHBondContact NH2-OD2 2.74Å; R141-D143 PolarHBondContact O-N 2.96Å; D143-K145 HydrophobicContact CB-CG 4.49Å; D143-K145 PolarHBondContact O-N 3.01Å; D143-K145 VanDerWaalsContact O-N 3.16Å; D143-K145 PolarHBondContact OD1-N 2.99Å; D143-K145 WeakPolarHBondContact OD2-CD 3.12Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.29Å
144G94.5Very high96.3Very high69 Ų6990.7 Ų90.771%0.71147%0.468SS*.  trans64.612.1178.700000115.5R141R141-G144 PolarHBondContact O-N 2.68Å
145K95.2Very high96.2Very high122 Ų12290.1 Ų90.153%0.5347%0.469SS..  trans-92.4151.1-177.6-63.5179.1-166.4164.20111.9R141 D143 G147 F150R141-K145 VanDerWaalsContact CD-O 3.29Å; R141-K145 WeakPolarHBondContact CD-O 3.46Å; D143-K145 HydrophobicContact CB-CG 4.49Å; D143-K145 PolarHBondContact O-N 3.01Å; D143-K145 VanDerWaalsContact O-N 3.16Å; D143-K145 PolarHBondContact OD1-N 2.99Å; D143-K145 WeakPolarHBondContact OD2-CD 3.12Å; K145-G147 PolarHBondContact O-N 3.15Å; K145-F150 HydrophobicContact CB-CE2 3.84Å; K145-F150 HydrophobicContact CB-CZ 4.18Å; K145-F150 HydrophobicContact CD-CE2 4.48Å; K145-F150 HydrophobicContact CD-CZ 4.02Å
146E95.8Very high96.2Very high100 Ų10093.1 Ų93.147%0.46748%0.476SS..  trans-61.8124.3175.8-60.8178.2143.300111.4L148 K149 F150E146-L148 PolarHBondContact O-N 2.62Å; E146-K149 HydrophobicContact CB-CB 4.49Å; E146-K149 HydrophobicContact CB-CD 4.24Å; E146-K149 HydrophobicContact CB-CG 4.22Å; E146-K149 PolarHBondContact O-N 3.16Å; E146-K149 VanDerWaalsContact O-N 3.16Å; E146-K149 VanDerWaalsContact OE2-CD 3.29Å; E146-K149 WeakPolarHBondContact OE2-CD 3.38Å; E146-K149 WeakPolarHBondContact OE2-CE 3.49Å; E146-F150 WeakPolarHBondContact O-CD2 3.27Å
147G95.8Very high96.2Very high7 Ų795.3 Ų95.37%0.07248%0.481CS..G310 helixtrans-59.1-34-179.800000113.3N135 T138 K145 K149 F150N135-G147 PolarHBondContact OD1-N 2.87Å; T138-G147 PolarHBondContact OG1-N 2.93Å; K145-G147 PolarHBondContact O-N 3.15Å; G147-K149 PolarHBondContact O-N 3.13Å; G147-F150 PolarHBondContact O-N 3.07Å
148L96.9Very high96.2Very high40 Ų4093.1 Ų93.121%0.20947%0.468CS..G310 helixtrans-67.1-30.8178.5-176.161.1000113.3P131 N135 E146 F150 Y151 T152P131-L148 HydrophobicContact CB-CD1 3.88Å; P131-L148 HydrophobicContact CG-CD1 4.04Å; P131-L148 HydrophobicContact CG-CD2 4.45Å; N135-L148 WeakPolarHBondContact OD1-CB 3.22Å; N135-L148 PolarHBondContact OD1-N 3.31Å; E146-L148 PolarHBondContact O-N 2.62Å; L148-F150 PolarHBondContact O-N 2.94Å; L148-F150 VanDerWaalsContact O-N 3.16Å; L148-Y151 HydrophobicContact CD1-CD1 4.23Å; L148-Y151 WeakPolarHBondContact O-CA 3.29Å; L148-Y151 PolarHBondContact O-N 2.61Å; L148-T152 HydrophobicContact CD1-CG2 3.91Å; L148-T152 HydrophobicContact CG-CG2 4.08Å; L148-T152 PolarHBondContact O-N 2.97Å
149K96.9Very high96.2Very high76 Ų7693.8 Ų93.833%0.3347%0.47SS..G310 helixtrans-63.8-19.3178.4-79179.9165.2-80.80113.5E146 G147 Y151 T152 D153 S155E146-K149 HydrophobicContact CB-CB 4.49Å; E146-K149 HydrophobicContact CB-CD 4.24Å; E146-K149 HydrophobicContact CB-CG 4.22Å; E146-K149 PolarHBondContact O-N 3.16Å; E146-K149 VanDerWaalsContact O-N 3.16Å; E146-K149 VanDerWaalsContact OE2-CD 3.29Å; E146-K149 WeakPolarHBondContact OE2-CD 3.38Å; E146-K149 WeakPolarHBondContact OE2-CE 3.49Å; G147-K149 PolarHBondContact O-N 3.13Å; K149-Y151 VanDerWaalsContact C-N 3.28Å; K149-T152 WeakPolarHBondContact CA-O 3.19Å; K149-D153 HydrophobicContact CB-CB 4.16Å; K149-D153 WeakPolarHBondContact CD-OD2 3.3Å; K149-D153 HydrophobicContact CG-CB 4.1Å; K149-D153 IonicContact NZ-OD1 3.18Å; K149-D153 PolarHBondContact NZ-OD1 3.34Å; K149-D153 IonicContact NZ-OD2 3.59Å; K149-D153 PolarHBondContact NZ-OD2 2.63Å; K149-S155 PolarHBondContact NZ-OG 3.02Å; K149-S155 VanDerWaalsContact NZ-OG 3.15Å
150F95.9Very high96.1Very high121 Ų12192.6 Ų92.653%0.53146%0.457SS..G310 helixtrans-78.8-10172.2-66.1-90.9000113.7R141 D143 K145 E146 G147 L148R141-F150 VanDerWaalsContact NH2-CE2 3.31Å; D143-F150 WeakPolarHBondContact OD2-CZ 3.29Å; K145-F150 HydrophobicContact CB-CE2 3.84Å; K145-F150 HydrophobicContact CB-CZ 4.18Å; K145-F150 HydrophobicContact CD-CE2 4.48Å; K145-F150 HydrophobicContact CD-CZ 4.02Å; E146-F150 WeakPolarHBondContact O-CD2 3.27Å; G147-F150 PolarHBondContact O-N 3.07Å; L148-F150 PolarHBondContact O-N 2.94Å; L148-F150 VanDerWaalsContact O-N 3.16Å
151Y97.3Very high96.2Very high146 Ų14687 Ų8757%0.57344%0.435SS*.THydrogen-bonded Turntrans-110.9-41.1176.4178.5-94.3000111.8P131 L134 L148 K149P131-Y151 HydrophobicContact CB-CD1 4Å; P131-Y151 HydrophobicContact CB-CE1 3.72Å; L134-Y151 HydrophobicContact CD1-CD2 4.31Å; L134-Y151 HydrophobicContact CD1-CG 4.01Å; L148-Y151 HydrophobicContact CD1-CD1 4.23Å; L148-Y151 WeakPolarHBondContact O-CA 3.29Å; L148-Y151 PolarHBondContact O-N 2.61Å; K149-Y151 VanDerWaalsContact C-N 3.28Å
152T97Very high96.1Very high66 Ų6685.4 Ų85.441%0.40543%0.429SS..  trans-151.4123.6174.7-174.30000110.5L148 K149L148-T152 HydrophobicContact CD1-CG2 3.91Å; L148-T152 HydrophobicContact CG-CG2 4.08Å; L148-T152 PolarHBondContact O-N 2.97Å; K149-T152 WeakPolarHBondContact CA-O 3.19Å
153D96.6Very high95.9Very high43 Ų4383 Ų8323%0.2341%0.412CS..  trans-128.1101.6174.7-169-7.1000111.1K149 S155 Y156K149-D153 HydrophobicContact CB-CB 4.16Å; K149-D153 WeakPolarHBondContact CD-OD2 3.3Å; K149-D153 HydrophobicContact CG-CB 4.1Å; K149-D153 IonicContact NZ-OD1 3.18Å; K149-D153 PolarHBondContact NZ-OD1 3.34Å; K149-D153 IonicContact NZ-OD2 3.59Å; K149-D153 PolarHBondContact NZ-OD2 2.63Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.75Å; D153-S155 PolarHBondContact OD1-N 3.36Å; D153-S155 PolarHBondContact OD1-OG 3.42Å; D153-Y156 VanDerWaalsContact O-CB 3.28Å; D153-Y156 WeakPolarHBondContact O-CB 3.42Å; D153-Y156 PolarHBondContact O-N 3.48Å
154P94.8Very high95.9Very high105 Ų10585.2 Ų85.268%0.68242%0.418SS*.THydrogen-bonded Turntrans-63.4-24.8176.5-24.635.5000114.8Y156P154-Y156 VanDerWaalsContact C-N 3.35Å
155S94.9Very high95.9Very high43 Ų4383.4 Ų83.430%0.30139%0.392SS..THydrogen-bonded Turntrans-79.5-19.8-17977.80000112.8K149 D153 F157 F158 D159K149-S155 PolarHBondContact NZ-OG 3.02Å; K149-S155 VanDerWaalsContact NZ-OG 3.15Å; D153-S155 VanDerWaalsContact C-N 3.27Å; D153-S155 PolarHBondContact O-N 2.75Å; D153-S155 PolarHBondContact OD1-N 3.36Å; D153-S155 PolarHBondContact OD1-OG 3.42Å; S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.45Å; S155-F157 VanDerWaalsContact O-N 3.11Å; S155-F158 WeakPolarHBondContact O-CA 3.27Å; S155-F158 PolarHBondContact O-N 3.32Å; S155-D159 WeakPolarHBondContact CB-OD2 3.32Å; S155-D159 PolarHBondContact O-N 3.46Å; S155-D159 PolarHBondContact OG-OD2 2.81Å
156Y96.4Very high95.7Very high134 Ų13482.1 Ų82.153%0.52539%0.39SS..Hα-helixtrans-46.1-45.2-178179-98.7000114.2D153 P154 F158 D159 L160D153-Y156 VanDerWaalsContact O-CB 3.28Å; D153-Y156 WeakPolarHBondContact O-CB 3.42Å; D153-Y156 PolarHBondContact O-N 3.48Å; P154-Y156 VanDerWaalsContact C-N 3.35Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.4Å; Y156-D159 PolarHBondContact O-N 3.19Å; Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.26Å; Y156-L160 WeakPolarHBondContact O-CB 3.14Å; Y156-L160 PolarHBondContact O-N 2.74Å
157F96.5Very high95.7Very high163 Ų16382 Ų8272%0.71539%0.389SS*.Hα-helixtrans-62-41179-64.5-75.3000112.7S155 W161S155-F157 VanDerWaalsContact C-N 3.28Å; S155-F157 PolarHBondContact O-N 3.45Å; S155-F157 VanDerWaalsContact O-N 3.11Å; F157-W161 WeakPolarHBondContact O-CB 3.49Å; F157-W161 PolarHBondContact O-N 3.1Å
158F95.7Very high95.6Very high50 Ų5083.9 Ų83.922%0.21940%0.398CS..Hα-helixtrans-74.3-43.4177.4176.3-96.8000111.4S155 Y156 W161 R162 N526 V528 I531S155-F158 WeakPolarHBondContact O-CA 3.27Å; S155-F158 PolarHBondContact O-N 3.32Å; Y156-F158 VanDerWaalsContact C-N 3.35Å; Y156-F158 PolarHBondContact O-N 3.4Å; F158-W161 HydrophobicContact CD2-CE3 4.01Å; F158-W161 HydrophobicContact CD2-CZ3 4.29Å; F158-W161 AromaticContact CE2-CE3 3.9Å; F158-W161 HydrophobicContact CE2-CE3 3.9Å; F158-W161 AromaticContact CE2-CZ3 3.75Å; F158-W161 HydrophobicContact CE2-CZ3 3.75Å; F158-W161 PolarHBondContact O-N 2.97Å; F158-R162 HydrophobicContact CE1-CB 4.33Å; F158-R162 HydrophobicContact CZ-CB 4.35Å; F158-R162 VanDerWaalsContact O-CB 3.29Å; F158-R162 WeakPolarHBondContact O-CB 3.15Å; F158-R162 PolarHBondContact O-N 3.29Å; F158-N526 HydrophobicContact CE1-CB 4.13Å; F158-N526 HydrophobicContact CZ-CB 4.22Å; F158-N526 VanDerWaalsContact CZ-O 3.3Å; F158-N526 WeakPolarHBondContact CZ-O 3.22Å; F158-V528 HydrophobicContact CD2-CG2 4.26Å; F158-V528 HydrophobicContact CE2-CG2 3.77Å; F158-I531 HydrophobicContact CE2-CD1 4.37Å; F158-I531 HydrophobicContact CZ-CD1 4.06Å
159D95.3Very high95.4Very high50 Ų5082.5 Ų82.527%0.26739%0.391SS..Hα-helixtrans-62-46.2-178.5-72.8-54.5000111.7S155 Y156 R162 E163S155-D159 WeakPolarHBondContact CB-OD2 3.32Å; S155-D159 PolarHBondContact O-N 3.46Å; S155-D159 PolarHBondContact OG-OD2 2.81Å; Y156-D159 PolarHBondContact O-N 3.19Å; D159-R162 PolarHBondContact O-N 2.75Å; D159-R162 IonicContact OD1-CZ 3.96Å; D159-R162 IonicContact OD1-NH1 3.2Å; D159-R162 PolarHBondContact OD1-NH1 3.23Å; D159-R162 IonicContact OD1-NH2 2.65Å; D159-R162 PolarHBondContact OD1-NH2 3.39Å; D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.5Å
160L96.6Very high95.2Very high82 Ų8281.5 Ų81.543%0.42939%0.388SS..Hα-helixtrans-68.1-38.4176.4-176.866.3000112.3Y156 K164Y156-L160 HydrophobicContact CE1-CD2 4.06Å; Y156-L160 VanDerWaalsContact O-CB 3.26Å; Y156-L160 WeakPolarHBondContact O-CB 3.14Å; Y156-L160 PolarHBondContact O-N 2.74Å; L160-K164 WeakPolarHBondContact O-CB 3.32Å; L160-K164 PolarHBondContact O-N 3.21Å
161W97.1Very high95.1Very high76 Ų7678.9 Ų78.929%0.28838%0.379SS..Hα-helixtrans-65.7-44.4175.2172.282.8000111.7F157 F158 K164 M165 V528 I531 L532F157-W161 WeakPolarHBondContact O-CB 3.49Å; F157-W161 PolarHBondContact O-N 3.1Å; F158-W161 HydrophobicContact CD2-CE3 4.01Å; F158-W161 HydrophobicContact CD2-CZ3 4.29Å; F158-W161 AromaticContact CE2-CE3 3.9Å; F158-W161 HydrophobicContact CE2-CE3 3.9Å; F158-W161 AromaticContact CE2-CZ3 3.75Å; F158-W161 HydrophobicContact CE2-CZ3 3.75Å; F158-W161 PolarHBondContact O-N 2.97Å; W161-K164 PolarHBondContact O-N 3.33Å; W161-M165 HydrophobicContact CD2-CG 4.03Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.4Å; W161-M165 HydrophobicContact CH2-CG 4.37Å; W161-M165 HydrophobicContact CZ2-CG 3.7Å; W161-M165 HydrophobicContact CZ2-SD 4.38Å; W161-M165 WeakPolarHBondContact O-CB 3.25Å; W161-M165 VanDerWaalsContact O-CG 3.3Å; W161-M165 WeakPolarHBondContact O-CG 3.4Å; W161-M165 PolarHBondContact O-N 3.07Å; W161-V528 HydrophobicContact CH2-CB 4.19Å; W161-V528 HydrophobicContact CH2-CG1 3.77Å; W161-V528 HydrophobicContact CH2-CG2 4.35Å; W161-V528 HydrophobicContact CZ2-CG1 4.32Å; W161-V528 HydrophobicContact CZ3-CB 4.4Å; W161-V528 HydrophobicContact CZ3-CG1 4.33Å; W161-V528 HydrophobicContact CZ3-CG2 4.09Å; W161-I531 HydrophobicContact CH2-CB 3.82Å; W161-I531 HydrophobicContact CH2-CD1 4.15Å; W161-I531 HydrophobicContact CH2-CG2 3.6Å; W161-I531 HydrophobicContact CZ2-CG2 4.22Å; W161-I531 HydrophobicContact CZ3-CB 4.15Å; W161-I531 HydrophobicContact CZ3-CD1 3.58Å; W161-I531 HydrophobicContact CZ3-CG1 4.49Å; W161-I531 HydrophobicContact CZ3-CG2 3.96Å; W161-L532 HydrophobicContact CH2-CG 4.24Å; W161-L532 HydrophobicContact CZ2-CD1 4.42Å; W161-L532 HydrophobicContact CZ2-CD2 3.92Å; W161-L532 HydrophobicContact CZ2-CG 3.93Å
162R94.7Very high94.9Very high57 Ų5775.9 Ų75.922%0.21537%0.369CS..Hα-helixtrans-59.3-48.8175.4178.3-168.965.7-130.9-20.2110.4F158 D159 K164 M165 L166 G525 N526 I531F158-R162 HydrophobicContact CE1-CB 4.33Å; F158-R162 HydrophobicContact CZ-CB 4.35Å; F158-R162 VanDerWaalsContact O-CB 3.29Å; F158-R162 WeakPolarHBondContact O-CB 3.15Å; F158-R162 PolarHBondContact O-N 3.29Å; D159-R162 PolarHBondContact O-N 2.75Å; D159-R162 IonicContact OD1-CZ 3.96Å; D159-R162 IonicContact OD1-NH1 3.2Å; D159-R162 PolarHBondContact OD1-NH1 3.23Å; D159-R162 IonicContact OD1-NH2 2.65Å; D159-R162 PolarHBondContact OD1-NH2 3.39Å; R162-K164 PolarHBondContact O-N 3.48Å; R162-M165 PolarHBondContact O-N 2.84Å; R162-L166 HydrophobicContact CG-CD1 4.18Å; R162-L166 WeakPolarHBondContact O-CD1 3.41Å; R162-L166 PolarHBondContact O-N 3.47Å; R162-G525 VanDerWaalsContact CD-O 3.27Å; R162-G525 WeakPolarHBondContact CD-O 3.46Å; R162-N526 WeakPolarHBondContact CD-OD1 3.48Å; R162-N526 PolarHBondContact NH1-OD1 3.47Å; R162-I531 HydrophobicContact CB-CD1 4.31Å; R162-I531 HydrophobicContact CG-CD1 3.9Å
163E95Very high94.5Very high129 Ų12977.5 Ų77.560%0.60337%0.368SS*.Hα-helixtrans-55.4-51.7176.3-178.9174.2-15300111.2D159 M165 L166 Q167D159-E163 WeakPolarHBondContact O-CB 3.43Å; D159-E163 PolarHBondContact O-N 3.5Å; E163-M165 PolarHBondContact O-N 3.17Å; E163-L166 PolarHBondContact O-N 3.02Å; E163-Q167 WeakPolarHBondContact O-CB 3.31Å; E163-Q167 PolarHBondContact O-N 3.17Å
164K95.6Very high94.3Very high111 Ų11179.3 Ų79.348%0.48337%0.374SS..Hα-helixtrans-58.2-47.2177.1176.2163.6173.750.20112.6L160 W161 R162 L166 Q167 D168L160-K164 WeakPolarHBondContact O-CB 3.32Å; L160-K164 PolarHBondContact O-N 3.21Å; W161-K164 PolarHBondContact O-N 3.33Å; R162-K164 PolarHBondContact O-N 3.48Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å; K164-Q167 PolarHBondContact O-N 2.96Å; K164-D168 WeakPolarHBondContact CE-OD2 3.33Å; K164-D168 WeakPolarHBondContact CG-OD2 3.45Å; K164-D168 IonicContact NZ-OD1 2.8Å; K164-D168 PolarHBondContact NZ-OD1 2.75Å; K164-D168 IonicContact NZ-OD2 3.98Å; K164-D168 PolarHBondContact NZ-OD2 3.38Å; K164-D168 VanDerWaalsContact O-CB 3.3Å; K164-D168 WeakPolarHBondContact O-CB 3.38Å; K164-D168 PolarHBondContact O-N 2.65Å
165M93.4Very high94.1Very high30 Ų3077.5 Ų77.515%0.14836%0.356CS..Hα-helixtrans-64.5-37-179.3-69.6-65.195.100112.6W161 R162 E163 D168 T169 I531 L532W161-M165 HydrophobicContact CD2-CG 4.03Å; W161-M165 VanDerWaalsContact CE2-CG 3.49Å; W161-M165 HydrophobicContact CG-CG 4.4Å; W161-M165 HydrophobicContact CH2-CG 4.37Å; W161-M165 HydrophobicContact CZ2-CG 3.7Å; W161-M165 HydrophobicContact CZ2-SD 4.38Å; W161-M165 WeakPolarHBondContact O-CB 3.25Å; W161-M165 VanDerWaalsContact O-CG 3.3Å; W161-M165 WeakPolarHBondContact O-CG 3.4Å; W161-M165 PolarHBondContact O-N 3.07Å; R162-M165 PolarHBondContact O-N 2.84Å; E163-M165 PolarHBondContact O-N 3.17Å; M165-D168 WeakPolarHBondContact CE-OD2 3.45Å; M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 2.94Å; M165-T169 PolarHBondContact O-OG1 3.25Å; M165-I531 HydrophobicContact CB-CG2 3.45Å; M165-I531 VanDerWaalsContact CB-CG2 3.45Å; M165-I531 HydrophobicContact CG-CG2 3.97Å; M165-L532 HydrophobicContact SD-CD2 4.4Å
166L92.2Very high93.6Very high96 Ų9677.5 Ų77.550%0.50335%0.35SS..Hα-helixtrans-67.9-46.4174.4-93.660.7000111.3R162 E163 K164 T169 E170 I531R162-L166 HydrophobicContact CG-CD1 4.18Å; R162-L166 WeakPolarHBondContact O-CD1 3.41Å; R162-L166 PolarHBondContact O-N 3.47Å; E163-L166 PolarHBondContact O-N 3.02Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-L166 PolarHBondContact O-N 3.48Å; L166-T169 PolarHBondContact O-N 3.04Å; L166-E170 PolarHBondContact O-N 2.71Å; L166-I531 HydrophobicContact CD1-CG1 4.41Å; L166-I531 HydrophobicContact CD1-CG2 4.29Å
167Q94.6Very high93.1Very high96 Ų9678.6 Ų78.645%0.44935%0.353SS..Hα-helixtrans-62.3-51.8178.8-177.560.834.600111.7E163 K164 T169 E170 D171E163-Q167 WeakPolarHBondContact O-CB 3.31Å; E163-Q167 PolarHBondContact O-N 3.17Å; K164-Q167 PolarHBondContact O-N 2.96Å; Q167-T169 PolarHBondContact O-N 2.72Å; Q167-E170 PolarHBondContact O-N 2.78Å; Q167-D171 VanDerWaalsContact NE2-CG 3.27Å; Q167-D171 PolarHBondContact NE2-OD1 3.44Å; Q167-D171 PolarHBondContact NE2-OD2 2.98Å; Q167-D171 PolarHBondContact O-N 2.83Å
168D94.1Very high92.7Very high48 Ų4876.4 Ų76.426%0.25734%0.343SS..Hα-helixtrans-54.4-41.8177.3-70.6-19.6000110.7K164 M165 D171 K172 R535K164-D168 WeakPolarHBondContact CE-OD2 3.33Å; K164-D168 WeakPolarHBondContact CG-OD2 3.45Å; K164-D168 IonicContact NZ-OD1 2.8Å; K164-D168 PolarHBondContact NZ-OD1 2.75Å; K164-D168 IonicContact NZ-OD2 3.98Å; K164-D168 PolarHBondContact NZ-OD2 3.38Å; K164-D168 VanDerWaalsContact O-CB 3.3Å; K164-D168 WeakPolarHBondContact O-CB 3.38Å; K164-D168 PolarHBondContact O-N 2.65Å; M165-D168 WeakPolarHBondContact CE-OD2 3.45Å; D168-D171 PolarHBondContact O-N 2.96Å; D168-K172 WeakPolarHBondContact O-CB 3.38Å; D168-K172 PolarHBondContact O-N 2.82Å; D168-R535 PolarHBondContact O-NH1 2.83Å
169T92.9Very high92.1Very high11 Ų1178.9 Ų78.97%0.06736%0.355CS..Hα-helixtrans-68.5-41.4-178.9-61.90000112.3M165 L166 Q167 R173 R535 V538M165-T169 WeakPolarHBondContact O-CB 3.44Å; M165-T169 PolarHBondContact O-N 2.94Å; M165-T169 PolarHBondContact O-OG1 3.25Å; L166-T169 PolarHBondContact O-N 3.04Å; Q167-T169 PolarHBondContact O-N 2.72Å; T169-R173 WeakPolarHBondContact O-CB 3.33Å; T169-R173 PolarHBondContact O-N 2.88Å; T169-R535 VanDerWaalsContact OG1-CD 3.27Å; T169-R535 WeakPolarHBondContact OG1-CD 3.4Å; T169-V538 HydrophobicContact CG2-CB 4.14Å; T169-V538 HydrophobicContact CG2-CG1 4.45Å; T169-V538 HydrophobicContact CG2-CG2 3.74Å
170E92.6Very high91.4Very high54 Ų5481.4 Ų81.425%0.25236%0.364SS..Hα-helixtrans-68.6-37.417517955.3-148.900111.5L166 Q167 R173 K174L166-E170 PolarHBondContact O-N 2.71Å; Q167-E170 PolarHBondContact O-N 2.78Å; E170-R173 WeakPolarHBondContact O-CB 3.3Å; E170-R173 PolarHBondContact O-N 2.9Å; E170-R173 WeakPolarHBondContact OE2-CD 3.36Å; E170-R173 IonicContact OE2-CZ 2.65Å; E170-R173 IonicContact OE2-NE 2.99Å; E170-R173 IonicContact OE2-NH1 3.85Å; E170-R173 PolarHBondContact OE2-NH1 3.16Å; E170-K174 HydrophobicContact CG-CD 4.42Å; E170-K174 WeakPolarHBondContact O-CG 3.48Å; E170-K174 PolarHBondContact O-N 2.88Å; E170-K174 WeakPolarHBondContact OE1-CE 3.28Å
171D94.2Very high90.5Very high67 Ų6784.3 Ų84.336%0.35838%0.379SS..Hα-helixtrans-71.9-37.6177.7-69.3-21.1000112.5Q167 D168 R173 K174 E175Q167-D171 VanDerWaalsContact NE2-CG 3.27Å; Q167-D171 PolarHBondContact NE2-OD1 3.44Å; Q167-D171 PolarHBondContact NE2-OD2 2.98Å; Q167-D171 PolarHBondContact O-N 2.83Å; D168-D171 PolarHBondContact O-N 2.96Å; D171-R173 VanDerWaalsContact C-N 3.28Å; D171-R173 PolarHBondContact O-N 3.41Å; D171-K174 PolarHBondContact O-N 3.44Å; D171-K174 IonicContact OD1-NZ 2.95Å; D171-K174 PolarHBondContact OD1-NZ 2.99Å; D171-E175 VanDerWaalsContact O-CB 3.23Å; D171-E175 WeakPolarHBondContact O-CB 3.5Å; D171-E175 PolarHBondContact O-N 3.34Å
172K92.1Very high89.2Confident82 Ų8287.8 Ų87.836%0.35740%0.398SS..Hα-helixtrans-61-36.4169.5-176.563.6166.1173.70111.8D168 R176 V538 E539D168-K172 WeakPolarHBondContact O-CB 3.38Å; D168-K172 PolarHBondContact O-N 2.82Å; K172-R176 PolarHBondContact O-N 2.94Å; K172-V538 HydrophobicContact CB-CG1 4.34Å; K172-V538 HydrophobicContact CG-CG1 4.11Å; K172-E539 HydrophobicContact CG-CG 4.23Å
173R89.5Confident88Confident100 Ų10087.5 Ų87.538%0.37740%0.401SS..Hα-helixtrans-68.2-45.5174.3179.3-172.1-64150.4-2.9112.4T169 E170 D171 E175 R177 V538T169-R173 WeakPolarHBondContact O-CB 3.33Å; T169-R173 PolarHBondContact O-N 2.88Å; E170-R173 WeakPolarHBondContact O-CB 3.3Å; E170-R173 PolarHBondContact O-N 2.9Å; E170-R173 WeakPolarHBondContact OE2-CD 3.36Å; E170-R173 IonicContact OE2-CZ 2.65Å; E170-R173 IonicContact OE2-NE 2.99Å; E170-R173 IonicContact OE2-NH1 3.85Å; E170-R173 PolarHBondContact OE2-NH1 3.16Å; D171-R173 VanDerWaalsContact C-N 3.28Å; D171-R173 PolarHBondContact O-N 3.41Å; R173-E175 VanDerWaalsContact C-N 3.34Å; R173-R177 WeakPolarHBondContact O-CG 3.49Å; R173-R177 PolarHBondContact O-N 3.33Å; R173-V538 HydrophobicContact CB-CG1 4.09Å
174K92.5Very high86.4Confident82 Ų8286.1 Ų86.136%0.35740%0.403SS..Hα-helixtrans-62-42.6174.3-71.1168.6-167.9147.20111.4E170 D171 R177 K178E170-K174 HydrophobicContact CG-CD 4.42Å; E170-K174 WeakPolarHBondContact O-CG 3.48Å; E170-K174 PolarHBondContact O-N 2.88Å; E170-K174 WeakPolarHBondContact OE1-CE 3.28Å; D171-K174 PolarHBondContact O-N 3.44Å; D171-K174 IonicContact OD1-NZ 2.95Å; D171-K174 PolarHBondContact OD1-NZ 2.99Å; K174-R177 WeakPolarHBondContact O-CB 3.3Å; K174-R177 PolarHBondContact O-N 3.33Å; K174-K178 PolarHBondContact O-N 3.18Å
175E90.3Very high84.8Confident67 Ų6789.5 Ų89.531%0.31341%0.413SS..Hα-helixtrans-65.5-44.8-178.7-173.351-143.800111.5D171 R173 R177 K178 Q179D171-E175 VanDerWaalsContact O-CB 3.23Å; D171-E175 WeakPolarHBondContact O-CB 3.5Å; D171-E175 PolarHBondContact O-N 3.34Å; R173-E175 VanDerWaalsContact C-N 3.34Å; E175-R177 VanDerWaalsContact C-N 3.28Å; E175-R177 PolarHBondContact O-N 2.73Å; E175-K178 WeakPolarHBondContact O-CB 3.16Å; E175-K178 PolarHBondContact O-N 3.11Å; E175-K178 WeakPolarHBondContact OE2-CD 3.44Å; E175-K178 IonicContact OE2-NZ 3.46Å; E175-K178 PolarHBondContact OE2-NZ 2.88Å; E175-Q179 WeakPolarHBondContact O-CG 3.26Å; E175-Q179 PolarHBondContact O-N 2.9Å; E175-Q179 PolarHBondContact OE1-NE2 3.47Å
176R83.9Confident83.1Confident42 Ų4292.8 Ų92.816%0.15843%0.429CS..Hα-helixtrans-58-37.1170.6-79.9-172.359.6-136.9-14.4113.3K172 Q179 K180 V538 S541 D542K172-R176 PolarHBondContact O-N 2.94Å; R176-Q179 PolarHBondContact O-N 3.33Å; R176-K180 PolarHBondContact O-N 3.42Å; R176-V538 PolarHBondContact NH1-O 3.41Å; R176-V538 VanDerWaalsContact NH1-O 3.1Å; R176-S541 PolarHBondContact NH1-O 2.89Å; R176-S541 VanDerWaalsContact NH1-O 3.09Å; R176-S541 PolarHBondContact NH2-O 3.41Å; R176-D542 VanDerWaalsContact CZ-CG 3.46Å; R176-D542 IonicContact CZ-OD1 3.28Å; R176-D542 IonicContact CZ-OD2 2.8Å; R176-D542 IonicContact NE-OD2 3.85Å; R176-D542 PolarHBondContact NE-OD2 3.46Å; R176-D542 IonicContact NH2-OD1 3.36Å; R176-D542 PolarHBondContact NH2-OD1 3.4Å; R176-D542 IonicContact NH2-OD2 3Å; R176-D542 PolarHBondContact NH2-OD2 3.07Å
177R85.9Confident81.3Confident158 Ų15895.2 Ų95.260%0.59643%0.433SS*.Hα-helixtrans-63-41.3173-73.3174.2173.7164.6-3112.2R173 K174 E175 Q179 L181R173-R177 WeakPolarHBondContact O-CG 3.49Å; R173-R177 PolarHBondContact O-N 3.33Å; K174-R177 WeakPolarHBondContact O-CB 3.3Å; K174-R177 PolarHBondContact O-N 3.33Å; E175-R177 VanDerWaalsContact C-N 3.28Å; E175-R177 PolarHBondContact O-N 2.73Å; R177-Q179 VanDerWaalsContact C-N 3.32Å; R177-Q179 PolarHBondContact O-N 2.99Å; R177-L181 VanDerWaalsContact O-CD1 3.27Å; R177-L181 WeakPolarHBondContact O-CD1 3.45Å; R177-L181 PolarHBondContact O-N 3.06Å
178K89.4Confident79.5Confident117 Ų11794.3 Ų94.351%0.50943%0.431SS..Hα-helixtrans-65.5-34.9174.4-61.4-178.3-151.7149.90112.6K174 E175 L181 Q182K174-K178 PolarHBondContact O-N 3.18Å; E175-K178 WeakPolarHBondContact O-CB 3.16Å; E175-K178 PolarHBondContact O-N 3.11Å; E175-K178 WeakPolarHBondContact OE2-CD 3.44Å; E175-K178 IonicContact OE2-NZ 3.46Å; E175-K178 PolarHBondContact OE2-NZ 2.88Å; K178-L181 PolarHBondContact O-N 2.86Å; K178-Q182 PolarHBondContact O-N 3.36Å; K178-Q182 VanDerWaalsContact O-N 3.14Å; K178-Q182 PolarHBondContact O-NE2 2.95Å
179Q83.3Confident77.7Confident102 Ų10296.7 Ų96.748%0.47744%0.441SS..Hα-helixtrans-70-46.4179.7-70.3170.95.100110.7E175 R176 R177 L181 Q182 D183E175-Q179 WeakPolarHBondContact O-CG 3.26Å; E175-Q179 PolarHBondContact O-N 2.9Å; E175-Q179 PolarHBondContact OE1-NE2 3.47Å; R176-Q179 PolarHBondContact O-N 3.33Å; R177-Q179 VanDerWaalsContact C-N 3.32Å; R177-Q179 PolarHBondContact O-N 2.99Å; Q179-L181 PolarHBondContact O-N 2.95Å; Q179-Q182 PolarHBondContact O-N 2.7Å; Q179-D183 PolarHBondContact O-N 3.08Å
180K80.6Confident76Confident102 Ų102100.2 Ų100.244%0.44346%0.462SS..Hα-helixtrans-65.3-15.6172.8-69.7-171.7-176.7-81.30114.6R176 D542R176-K180 PolarHBondContact O-N 3.42Å; K180-D542 WeakPolarHBondContact CE-OD1 3.49Å; K180-D542 WeakPolarHBondContact CE-OD2 3.4Å; K180-D542 IonicContact NZ-OD1 2.68Å; K180-D542 PolarHBondContact NZ-OD1 2.7Å; K180-D542 IonicContact NZ-OD2 3.09Å
181L75.9Confident74.3Confident144 Ų144104.5 Ų104.575%0.75448%0.477SS*.Hα-helixtrans-90.4-13.6169-95.780.6000114.2R177 K178 Q179R177-L181 VanDerWaalsContact O-CD1 3.27Å; R177-L181 WeakPolarHBondContact O-CD1 3.45Å; R177-L181 PolarHBondContact O-N 3.06Å; K178-L181 PolarHBondContact O-N 2.86Å; Q179-L181 PolarHBondContact O-N 2.95Å
182Q70.1Confident72.4Confident148 Ų148109.8 Ų109.869%0.69249%0.492SS*.Hα-helixtrans-99.6-10.8175.2-83.6174.2105.400113.2K178 Q179 P184K178-Q182 PolarHBondContact O-N 3.36Å; K178-Q182 VanDerWaalsContact O-N 3.14Å; K178-Q182 PolarHBondContact O-NE2 2.95Å; Q179-Q182 PolarHBondContact O-N 2.7Å; Q182-P184 VanDerWaalsContact O-CD 3.28Å; Q182-P184 WeakPolarHBondContact O-CD 3.49Å
183D69.6Low70.4Confident51 Ų51115.5 Ų115.527%0.27351%0.512SS..  trans-58.3117.7170.9170.820.6000110.8Q179 R185 M186 Y187Q179-D183 PolarHBondContact O-N 3.08Å; D183-R185 PolarHBondContact O-N 3.49Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 PolarHBondContact OD1-N 3.02Å; D183-M186 PolarHBondContact O-N 2.98Å; D183-Y187 PolarHBondContact O-N 3.18Å
184P62Low68.6Low100 Ų100115.4 Ų115.465%0.64952%0.519SS*.Hα-helixtrans-58.8-27.7177.6-24.635.7000113.9Q182 Y187 D188Q182-P184 VanDerWaalsContact O-CD 3.28Å; Q182-P184 WeakPolarHBondContact O-CD 3.49Å; P184-Y187 PolarHBondContact O-N 3.4Å; P184-D188 PolarHBondContact O-N 3.45Å
185R62.1Low66.6Low183 Ų183119 Ų11969%0.69154%0.542SS*.Hα-helixtrans-65-41.7179.2-64.3175.2163.8177.2-6.6111.2D183 Q189D183-R185 PolarHBondContact O-N 3.49Å; D183-R185 WeakPolarHBondContact OD1-CB 3.48Å; D183-R185 PolarHBondContact OD1-N 3.02Å; R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 PolarHBondContact O-N 3.28Å
186M57.5Low64.6Low98 Ų98122.1 Ų122.148%0.48356%0.56SS.*Hα-helixtrans-68-34.5172.5-85.2-83.484.700113D183 Q189 V190D183-M186 PolarHBondContact O-N 2.98Å; M186-Q189 HydrophobicContact CE-CB 3.99Å; M186-Q189 HydrophobicContact CE-CG 3.99Å; M186-V190 WeakPolarHBondContact O-CG2 3.42Å; M186-V190 PolarHBondContact O-N 2.85Å
187Y54.8Low62.9Low147 Ų147126.2 Ų126.258%0.57659%0.592SS**Hα-helixtrans-66.6-43.7-179.9-164.6-90.1000112.6D183 P184 V190 Y191D183-Y187 PolarHBondContact O-N 3.18Å; P184-Y187 PolarHBondContact O-N 3.4Å; Y187-V190 PolarHBondContact O-N 2.96Å; Y187-Y191 HydrophobicContact CD1-CD2 4.11Å; Y187-Y191 AromaticContact CE1-CD2 3.66Å; Y187-Y191 HydrophobicContact CE1-CD2 3.66Å; Y187-Y191 AromaticContact CE1-CE2 3.72Å; Y187-Y191 HydrophobicContact CE1-CE2 3.72Å; Y187-Y191 HydrophobicContact CE2-CE2 4.36Å; Y187-Y191 AromaticContact CZ-CD2 3.98Å; Y187-Y191 AromaticContact CZ-CE2 3.6Å; Y187-Y191 PolarHBondContact O-N 3.44Å; Y187-Y191 WeakPolarHBondContact OH-CE2 3.33Å
188D56.2Low60.6Low78 Ų78122.3 Ų122.342%0.41760%0.601SS.*Hα-helixtrans-66.2-41.2175.3-174.473.3000112.3P184 V190 Y191 R192P184-D188 PolarHBondContact O-N 3.45Å; D188-V190 PolarHBondContact O-N 2.89Å; D188-Y191 PolarHBondContact O-N 2.79Å; D188-Y191 VanDerWaalsContact O-N 3.15Å; D188-R192 PolarHBondContact O-N 3.35Å; D188-R192 IonicContact OD2-CZ 2.62Å; D188-R192 IonicContact OD2-NE 3.57Å; D188-R192 PolarHBondContact OD2-NE 3.37Å; D188-R192 IonicContact OD2-NH2 2.87Å; D188-R192 PolarHBondContact OD2-NH2 3.13Å
189Q56.5Low58.2Low98 Ų98125.4 Ų125.446%0.45862%0.617SS.*Hα-helixtrans-56.8-38.1178.5-165.381.3-7.600112.1R185 M186R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 PolarHBondContact O-N 3.28Å; M186-Q189 HydrophobicContact CE-CB 3.99Å; M186-Q189 HydrophobicContact CE-CG 3.99Å
190V56.6Low56.1Low84 Ų84128 Ų12851%0.50963%0.633SS.*Hα-helixtrans-74.7-42.9176.7173.40000111.5M186 Y187 D188 R192 Y193 L194M186-V190 WeakPolarHBondContact O-CG2 3.42Å; M186-V190 PolarHBondContact O-N 2.85Å; Y187-V190 PolarHBondContact O-N 2.96Å; D188-V190 PolarHBondContact O-N 2.89Å; V190-R192 PolarHBondContact O-N 3.11Å; V190-Y193 PolarHBondContact O-N 3.11Å; V190-L194 HydrophobicContact CG1-CD1 4.06Å; V190-L194 PolarHBondContact O-N 3.1Å
191Y57.2Low54Low144 Ų144132.9 Ų132.957%0.56566%0.655SS**Hα-helixtrans-68.4-31179.7-100.7-84.5000113.5Y187 D188 Y193 L194Y187-Y191 HydrophobicContact CD1-CD2 4.11Å; Y187-Y191 AromaticContact CE1-CD2 3.66Å; Y187-Y191 HydrophobicContact CE1-CD2 3.66Å; Y187-Y191 AromaticContact CE1-CE2 3.72Å; Y187-Y191 HydrophobicContact CE1-CE2 3.72Å; Y187-Y191 HydrophobicContact CE2-CE2 4.36Å; Y187-Y191 AromaticContact CZ-CD2 3.98Å; Y187-Y191 AromaticContact CZ-CE2 3.6Å; Y187-Y191 PolarHBondContact O-N 3.44Å; Y187-Y191 WeakPolarHBondContact OH-CE2 3.33Å; D188-Y191 PolarHBondContact O-N 2.79Å; D188-Y191 VanDerWaalsContact O-N 3.15Å; Y191-Y193 VanDerWaalsContact C-N 3.27Å; Y191-Y193 PolarHBondContact O-N 2.81Å; Y191-L194 PolarHBondContact O-N 2.85Å
192R54.8Low52Low179 Ų179130.2 Ų130.268%0.67565%0.654SS**THydrogen-bonded Turntrans-75.7-7.1173.5-74.1-157.9-74.3133-2.5115.1D188 V190D188-R192 PolarHBondContact O-N 3.35Å; D188-R192 IonicContact OD2-CZ 2.62Å; D188-R192 IonicContact OD2-NE 3.57Å; D188-R192 PolarHBondContact OD2-NE 3.37Å; D188-R192 IonicContact OD2-NH2 2.87Å; D188-R192 PolarHBondContact OD2-NH2 3.13Å; V190-R192 PolarHBondContact O-N 3.11Å
193Y49.3Very low50.5Low201 Ų201131.4 Ų131.479%0.78866%0.663SS**THydrogen-bonded Turntrans-101.1-8.2171.2-98.6-88.2000114V190 Y191 D195V190-Y193 PolarHBondContact O-N 3.11Å; Y191-Y193 VanDerWaalsContact C-N 3.27Å; Y191-Y193 PolarHBondContact O-N 2.81Å; Y193-D195 PolarHBondContact O-N 3.23Å
194L51.8Low48.8Very low98 Ų98134.4 Ų134.451%0.51368%0.679SS.*  trans-96.470.8177.2-76.9164.9000111V190 Y191 L196V190-L194 HydrophobicContact CG1-CD1 4.06Å; V190-L194 PolarHBondContact O-N 3.1Å; Y191-L194 PolarHBondContact O-N 2.85Å; L194-L196 VanDerWaalsContact C-N 3.26Å; L194-L196 HydrophobicContact CB-CD1 4.31Å; L194-L196 HydrophobicContact CD2-CD1 4.18Å; L194-L196 PolarHBondContact O-N 3.14Å
195D52Low47.3Very low157 Ų157139.2 Ų139.284%0.8468%0.684SS**  trans-69.379.7173.3-17121.8000110.9Y193Y193-D195 PolarHBondContact O-N 3.23Å
196L46.6Very low46.2Very low134 Ų134136 Ų13670%0.70269%0.687SS**  trans-96.3123176.6-100.674.4000110.5L194 G198L194-L196 VanDerWaalsContact C-N 3.26Å; L194-L196 HydrophobicContact CB-CD1 4.31Å; L194-L196 HydrophobicContact CD2-CD1 4.18Å; L194-L196 PolarHBondContact O-N 3.14Å; L196-G198 VanDerWaalsContact C-N 3.26Å; L196-G198 PolarHBondContact O-N 3.31Å
197P48.6Very low45.6Very low127 Ų127137 Ų13783%0.82570%0.701SS**  trans-74.972.4178.730.3-35.3000112.5Q199P197-Q199 VanDerWaalsContact C-N 3.3Å; P197-Q199 PolarHBondContact O-N 2.96Å
198G37.8Very low45Very low76 Ų76137.7 Ų137.778%0.78471%0.709SS**  trans-78.357.6-178.300000115L196 L200L196-G198 VanDerWaalsContact C-N 3.26Å; L196-G198 PolarHBondContact O-N 3.31Å; G198-L200 PolarHBondContact O-N 3.06Å
199Q38.3Very low44Very low182 Ų182142 Ų14285%0.8573%0.732SS**  trans-72.695.5-179.1-177.4-173.679.100112.5P197P197-Q199 VanDerWaalsContact C-N 3.3Å; P197-Q199 PolarHBondContact O-N 2.96Å
200L39.8Very low43.4Very low156 Ų156145 Ų14582%0.81775%0.746SS**  trans-18092.4143.1-103.6159.7000115.1G198G198-L200 PolarHBondContact O-N 3.06Å
201K36.1Very low42.9Very low205 Ų205150.5 Ų150.589%0.89176%0.763SS**  -177.5141.8115.5-97.9164.8-177.2176.60110.6
202A35.2Very low42.6Very low89 Ų89149.1 Ų149.174%0.73677%0.769SS**  trans-105.2-173.5-178.400000111.6
203I38.4Very low42Very low173 Ų173146.1 Ų146.189%0.88777%0.773SS**  trans86.2117.5-177-51.7158000111
204D34.3Very low41.7Very low114 Ų114148.4 Ų148.461%0.6178%0.78SS**  cis-147.91375.2-17338000112.1
205R29.3Very low41.5Very low200 Ų200152.1 Ų152.176%0.75580%0.795SS**  trans58.9160.3147.3-173.1-171.8-44.9-110-7.9120.3
206P40.4Very low41.1Very low115 Ų115150.7 Ų150.775%0.74779%0.794SS**  cis-109-179.4-27.727.5-7.6000112.3
207P43.9Very low41.3Very low120 Ų120151.2 Ų151.278%0.77979%0.793SS**  trans-90.1143.2-173.334.6-35.7000116.6
208E41.3Very low41.8Very low161 Ų161150.3 Ų150.375%0.75278%0.781SS**  trans51.6128.6133.1-167.4160.9-134.200122.6
209L35.8Very low42.9Very low169 Ų169155.1 Ų155.189%0.88578%0.775SS**  trans-131126132.6-87.5179.9000110K211L209-K211 PolarHBondContact O-N 2.73Å
210E44.9Very low44.2Very low160 Ų160154 Ų15475%0.74877%0.768SS**  trans-63.8120.7-175.8-174.1-177.8-174.600112V212E210-V212 PolarHBondContact O-N 2.99Å
211K45.9Very low45.2Very low201 Ų201154 Ų15487%0.87476%0.761SS**  trans-93.394175.6-77.1-179178.5173.50110.6L209L209-K211 PolarHBondContact O-N 2.73Å
212V50.3Low46.6Very low114 Ų114148.5 Ų148.569%0.69174%0.739SS**  trans-45.8132.1174.3-1790000111.2E210 R214E210-V212 PolarHBondContact O-N 2.99Å; V212-R214 PolarHBondContact O-N 3.01Å
213P41.8Very low47.9Very low116 Ų116152.9 Ų152.975%0.75374%0.736SS**PPolyproline II helixtrans-57.4124.5177.1-26.435.1000112.4Q215P213-Q215 PolarHBondContact O-N 3.33Å
214R43.9Very low49.3Very low249 Ų249151 Ų15194%0.9472%0.723SS**PPolyproline II helixtrans-63.6126.4173.5-79-172.1-97178.3-6109.7V212V212-R214 PolarHBondContact O-N 3.01Å
215Q47.7Very low50.9Low176 Ų176153 Ų15382%0.82273%0.727SS**PPolyproline II helixtrans-63149.9172.6-71.7-173.2-10.900110.9P213 H217P213-Q215 PolarHBondContact O-N 3.33Å; Q215-H217 PolarHBondContact O-N 2.9Å
216P43.3Very low52.5Low128 Ų128149.8 Ų149.883%0.83172%0.724SS**PPolyproline II helixtrans-56.7128.2175.7-24.834.7000111.8D218P216-D218 PolarHBondContact O-N 3.44Å
217H51.2Low53.7Low144 Ų144148.4 Ų148.467%0.66772%0.722SS**  trans-71.4113.7-178.5-149-115.3000110.4Q215 R219 E222Q215-H217 PolarHBondContact O-N 2.9Å; H217-R219 PolarHBondContact O-N 3.47Å; H217-E222 IonicContact CE1-OE1 3.02Å; H217-E222 PolarHBondContact CE1-OE1 3.21Å; H217-E222 IonicContact CE1-OE2 2.68Å; H217-E222 PolarHBondContact CE1-OE2 2.79Å; H217-E222 VanDerWaalsContact CE1-OE2 3.28Å; H217-E222 IonicContact ND1-OE1 3.33Å; H217-E222 IonicContact ND1-OE2 2.69Å; H217-E222 PolarHBondContact ND1-OE2 2.87Å
218D57.7Low54.6Low108 Ų108148.7 Ų148.758%0.57872%0.717SS**  trans-77.174.3-179.8-1706.8000110.8P216 K220 K221P216-D218 PolarHBondContact O-N 3.44Å; D218-K220 PolarHBondContact O-N 3.39Å; D218-K221 PolarHBondContact O-N 3.46Å
219R61.3Low55.1Low178 Ų178143 Ų14367%0.67270%0.7SS**THydrogen-bonded Turntrans-43.4-29.5-176-175.1179-71.6-164.8-2.3113.2H217 K221 E222 W223H217-R219 PolarHBondContact O-N 3.47Å; R219-K221 PolarHBondContact O-N 3.47Å; R219-E222 PolarHBondContact O-N 3.1Å; R219-W223 PolarHBondContact O-N 3.17Å
220K65.2Low55.9Low158 Ų158138.6 Ų138.669%0.68769%0.689SS**Hα-helixtrans-55.6-35177.5-172.1176.1178.7-178.40113.4D218 Q224D218-K220 PolarHBondContact O-N 3.39Å; K220-Q224 PolarHBondContact O-N 3.15Å
221K62.6Low56.3Low157 Ų157139.6 Ų139.668%0.68369%0.694SS**Hα-helixtrans-69.1-36.7178.2-80.7-173.8175.5178.90113.2D218 R219 Q224 K225D218-K221 PolarHBondContact O-N 3.46Å; R219-K221 PolarHBondContact O-N 3.47Å; K221-Q224 PolarHBondContact O-N 3.38Å; K221-K225 PolarHBondContact O-N 3.37Å
222E65.3Low56.5Low89 Ų89137.3 Ų137.342%0.41669%0.69SS.*Hα-helixtrans-67.5-46.2178.9-65.5176.1111.500111.2H217 R219 Q224 K225 L226H217-E222 IonicContact CE1-OE1 3.02Å; H217-E222 PolarHBondContact CE1-OE1 3.21Å; H217-E222 IonicContact CE1-OE2 2.68Å; H217-E222 PolarHBondContact CE1-OE2 2.79Å; H217-E222 VanDerWaalsContact CE1-OE2 3.28Å; H217-E222 IonicContact ND1-OE1 3.33Å; H217-E222 IonicContact ND1-OE2 2.69Å; H217-E222 PolarHBondContact ND1-OE2 2.87Å; R219-E222 PolarHBondContact O-N 3.1Å; E222-Q224 PolarHBondContact O-N 2.9Å; E222-K225 PolarHBondContact O-N 3.27Å; E222-L226 WeakPolarHBondContact O-CG 3.28Å; E222-L226 PolarHBondContact O-N 2.89Å
223W61Low56.4Low180 Ų180135 Ų13568%0.68268%0.683SS**Hα-helixtrans-60.5-34.2174.9-75.879.4000112.1R219 A227R219-W223 PolarHBondContact O-N 3.17Å; W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.09Å
224Q69.3Low56.3Low133 Ų133138.5 Ų138.562%0.62169%0.689SS**Hα-helixtrans-73.2-30.2173.9-169.3167.72.200113.3K220 K221 E222K220-Q224 PolarHBondContact O-N 3.15Å; K221-Q224 PolarHBondContact O-N 3.38Å; E222-Q224 PolarHBondContact O-N 2.9Å
225K67.1Low56.1Low156 Ų156134.6 Ų134.668%0.67869%0.687SS**Hα-helixtrans-70.8-44.1172.3-168.4-176.8179.9-171.80111.2K221 E222 L228K221-K225 PolarHBondContact O-N 3.37Å; E222-K225 PolarHBondContact O-N 3.27Å; K225-L228 PolarHBondContact O-N 3.12Å
226L63.4Low55.4Low134 Ų134130.8 Ų130.870%0.70269%0.686SS**Hα-helixtrans-66.4-36.2177.2-67.9168.3000112.2E222 L228 G229E222-L226 WeakPolarHBondContact O-CG 3.28Å; E222-L226 PolarHBondContact O-N 2.89Å; L226-L228 PolarHBondContact O-N 3.44Å; L226-G229 PolarHBondContact O-N 3.13Å
227A65.9Low55.3Low85 Ų85130.7 Ų130.770%0.70269%0.685SS**THydrogen-bonded Turntrans-68.4-7.1176.900000114.8W223W223-A227 WeakPolarHBondContact O-CB 3.37Å; W223-A227 PolarHBondContact O-N 3.09Å
228L62.9Low54.3Low127 Ų127133.6 Ų133.667%0.66570%0.699SS**THydrogen-bonded Turntrans-88.2-10.4178.7-125.772.7000114.1K225 L226K225-L228 PolarHBondContact O-N 3.12Å; L226-L228 PolarHBondContact O-N 3.44Å
229G51Low53.1Low40 Ų40134.1 Ų134.141%0.41270%0.702SS.*  trans83.6152.9-176.300000113.7L226L226-G229 PolarHBondContact O-N 3.13Å
230A52.8Low51.7Low78 Ų78134.6 Ų134.665%0.64571%0.709SS**G310 helixtrans-69.9-34-17500000113.2L232 A233A230-L232 PolarHBondContact O-N 3.2Å; A230-A233 PolarHBondContact O-N 3.26Å
231E53.2Low50.1Low181 Ų181134.1 Ų134.185%0.84671%0.709SS**G310 helixtrans-61.1-9.6-171.6-42.8-53115.100115.9
232L49.5Very low48.5Very low153 Ų153138.7 Ų138.780%0.80172%0.721SS**G310 helixtrans-125.614-175.6-80.2164.4000113.4A230A230-L232 PolarHBondContact O-N 3.2Å
233A47.8Very low46.9Very low66 Ų66141.6 Ų141.655%0.54574%0.735SS.*  trans-98.4-8.5-174.700000115.1A230A230-A233 PolarHBondContact O-N 3.26Å
234Q40.7Very low45.4Very low189 Ų189138 Ų13888%0.88374%0.743SS**  trans-104.297.7-179.3-72.3-171.5-14.800111.7
235D39.1Very low43.5Very low167 Ų167139.9 Ų139.989%0.89376%0.758SS**  trans-158.979.9159.4-127.2-18.7000110.7
236A34.2Very low41.5Very low96 Ų96135.9 Ų135.979%0.79376%0.761SS**  trans-161.8109.617200000110.5
237P39.7Very low39.9Very low125 Ų125134.6 Ų134.681%0.81276%0.763SS**  trans-92.9134177.233.9-31.3000112.3
238E31.6Very low38.1Very low205 Ų205137 Ų13796%0.95877%0.769SS**  trans-128.4152.9155.8-76.4-153.2131.500110.6
239D31.2Very low36.4Very low120 Ų120134.8 Ų134.864%0.64278%0.777SS**  trans-143.3123-159.8157.644.4000110.5
240K32.8Very low35.4Very low187 Ų187143.7 Ų143.781%0.81380%0.8SS**  trans-178.5135.3133.6-98.7145.3-160.4152.50116.7
241H30.8Very low34.1Very low149 Ų149148.8 Ų148.869%0.6981%0.81SS**  trans-32145.2162.3-71-117.9000117.5E243H241-E243 IonicContact CE1-OE1 3.11Å; H241-E243 IonicContact ND1-OE1 2.85Å; H241-E243 PolarHBondContact ND1-OE1 2.91Å; H241-E243 VanDerWaalsContact ND1-OE1 3.09Å
242R30.2Very low32.9Very low252 Ų252146 Ų14695%0.95180%0.801SS**  -150.4142.8120.9-160167-176162.71.1111.8
243E31.3Very low31.9Very low151 Ų151142.9 Ų142.971%0.70679%0.792SS**  trans-112.1150.6-169.7-62.3157.1-178.200113H241H241-E243 IonicContact CE1-OE1 3.11Å; H241-E243 IonicContact ND1-OE1 2.85Å; H241-E243 PolarHBondContact ND1-OE1 2.91Å; H241-E243 VanDerWaalsContact ND1-OE1 3.09Å
244A28.9Very low31Very low103 Ų103150.3 Ų150.385%0.85181%0.806SS**  trans-159.1148.7157.300000110.7
245N28.5Very low30.5Very low174 Ų174147.4 Ų147.493%0.9380%0.801SS**  trans-119.8160-172.1-83.9-66.3000113.6
246G26.6Very low30.2Very low72 Ų72143.2 Ų143.274%0.74279%0.789SS**  trans138.389.5166.400000113.2
247S29.3Very low30.1Very low106 Ų106146.5 Ų146.574%0.74179%0.793SS**  86.19358.2-157.60000115.3
248T28.9Very low29.6Very low135 Ų135151.7 Ų151.783%0.82880%0.798SS**  trans53.2125.2135.861.10000121.9
249G26.7Very low29.6Very low81 Ų81149.4 Ų149.484%0.83579%0.789SS**  trans-152.8110.7155.300000111.8
250Y30Very low29.5Very low227 Ų227152.6 Ų152.689%0.8980%0.8SS**  trans-101.2132.1176.1-108.3-87.1000110.4
251H26.2Very low29.5Very low185 Ų185151.7 Ų151.786%0.85680%0.799SS**  trans-154137138.6-143.2-72.2000110.7
252D26.7Very low29.6Very low124 Ų124151.2 Ų151.266%0.66380%0.8SS**  trans-112176.1174.4170.155.8000110.1
253S28.1Very low29.5Very low86 Ų86147.5 Ų147.560%0.60180%0.799SS**  trans83.6133.6160.9-79.80000116.9
254R29.9Very low29.5Very low223 Ų223143 Ų14384%0.84279%0.793SS**  cis-169.2165.9-8.4-169.4169160.7142.3-4.9110.2
255T30.7Very low29.9Very low127 Ų127147.5 Ų147.578%0.77980%0.796SS**  trans89.9130155.6-37.10000115.8
256A31.4Very low30.6Very low79 Ų79148.4 Ų148.465%0.65379%0.792SS**  cis-167.1178.4-20.400000110.7
257L32.3Very low31.8Very low166 Ų166149 Ų14987%0.86979%0.785SS**  trans84.872.7160.4-51.3-177.3000119.5
258Y29Very low32.8Very low234 Ų234148.1 Ų148.192%0.91877%0.772SS**  -150.3162.6103-146.3-96000110.3
259M31.5Very low33.8Very low157 Ų157146.4 Ų146.477%0.77377%0.771SS**  trans-152.3125.9-174.9-177.9-168.687.500111
260E29.6Very low34.9Very low186 Ų186146.8 Ų146.887%0.86977%0.766SS**  trans-164.6171.4135.6-163.3127.9-13700108.5
261H33.1Very low36.1Very low169 Ų169138.3 Ų138.378%0.78274%0.736SS**  trans-110.2163.7-165.7-144.861.6000114
262L33.2Very low37.9Very low139 Ų139133.2 Ų133.273%0.72872%0.72SS**  trans-53.3146.3180-63154.1000114.2
263D27.5Very low39Very low173 Ų173135.9 Ų135.993%0.92572%0.722SS**  -149.9109.8120.8-113.3-24.2000109.2
264G32.1Very low40.5Very low56 Ų56137.1 Ų137.158%0.57773%0.725SS**PPolyproline II helixtrans-101.7148-169.100000113.6F266G264-F266 PolarHBondContact O-N 3.17Å
265H37.3Very low41.5Very low199 Ų199131.4 Ų131.492%0.92171%0.708SS**PPolyproline II helixtrans-59.7119.9173.9-67.5125.4000111.4S267H265-S267 PolarHBondContact O-N 3.47Å
266F43.3Very low42.9Very low193 Ų193128.1 Ų128.185%0.84669%0.685SS**PPolyproline II helixtrans-65.1123.1170.8-101.9-99.9000110.7G264G264-F266 PolarHBondContact O-N 3.17Å
267S50.2Low44Very low85 Ų85128.1 Ų128.159%0.59467%0.674SS**PPolyproline II helixtrans-81.1119.6172.3-174.30000110.5H265 A269H265-S267 PolarHBondContact O-N 3.47Å; S267-A269 PolarHBondContact O-N 3.05Å
268L52.1Low45.3Very low87 Ų87125.4 Ų125.446%0.45566%0.657SS.*G310 helixtrans-67.1-18.5178.3-77.1165.1000113.5A270 L271 L279L268-A270 PolarHBondContact O-N 3.01Å; L268-A270 VanDerWaalsContact O-N 3.13Å; L268-L271 HydrophobicContact CD2-CD1 4.43Å; L268-L271 PolarHBondContact O-N 2.88Å; L268-L279 HydrophobicContact CD2-CD1 4.15Å
269A49.6Very low46.9Very low99 Ų99118 Ų11882%0.81863%0.633SS**G310 helixtrans-65.1-16.7-172.100000114.9S267S267-A269 PolarHBondContact O-N 3.05Å
270A49.6Very low48.2Very low88 Ų88115.5 Ų115.573%0.72762%0.622SS**G310 helixtrans-102.23.6-175.900000114.6L268L268-A270 PolarHBondContact O-N 3.01Å; L268-A270 VanDerWaalsContact O-N 3.13Å
271L54.2Low49.1Very low49 Ų49112.2 Ų112.226%0.25761%0.61SS.*SBendtrans-98.6140.8-175-61.5-174.7000113L268 L279L268-L271 HydrophobicContact CD2-CD1 4.43Å; L268-L271 PolarHBondContact O-N 2.88Å; L271-L279 HydrophobicContact CD1-CD1 3.77Å
272P65.8Low49.9Very low79 Ų79112.5 Ų112.551%0.51361%0.605SS.*  trans-54.9142.6170.4-25.935.1000112.4T274 Q275 M276P272-T274 PolarHBondContact O-N 3.44Å; P272-Q275 WeakPolarHBondContact O-CB 3.48Å; P272-Q275 PolarHBondContact O-N 3.01Å; P272-M276 PolarHBondContact O-N 3.48Å
273Y47.9Very low50.3Low180 Ų180111.9 Ų111.971%0.70661%0.606SS**Hα-helixtrans-53.4-34.2-172.3-169.6-93.9000114.1M276 N277Y273-M276 HydrophobicContact CD2-CE 3.93Å; Y273-N277 WeakPolarHBondContact O-CB 3.38Å; Y273-N277 PolarHBondContact O-N 2.82Å
274T59.7Low50.9Low111 Ų111107.1 Ų107.168%0.68160%0.598SS**Hα-helixtrans-62.6-41.817545.90000113P272 N277 E278P272-T274 PolarHBondContact O-N 3.44Å; T274-N277 PolarHBondContact O-N 3.04Å; T274-E278 PolarHBondContact O-N 3.46Å; T274-E278 VanDerWaalsContact O-N 3.15Å
275Q52Low51.1Low103 Ų103111.5 Ų111.548%0.48161%0.608SS.*Hα-helixtrans-75.2-38.1-178.2-165.6173.218.700111.6P272 N277 E278 L279P272-Q275 WeakPolarHBondContact O-CB 3.48Å; P272-Q275 PolarHBondContact O-N 3.01Å; Q275-N277 VanDerWaalsContact C-N 3.33Å; Q275-N277 PolarHBondContact O-N 3.05Å; Q275-E278 PolarHBondContact O-N 3.17Å; Q275-L279 WeakPolarHBondContact O-CG 3.24Å; Q275-L279 PolarHBondContact O-N 3.49Å
276M59.3Low50.9Low59 Ų59113 Ų11329%0.29161%0.606SS.*Hα-helixtrans-60.6-41.3170.4174.3165.246.600111.8P272 Y273 L279 L280P272-M276 PolarHBondContact O-N 3.48Å; Y273-M276 HydrophobicContact CD2-CE 3.93Å; M276-L279 PolarHBondContact O-N 3.44Å; M276-L280 HydrophobicContact CG-CD1 4.13Å; M276-L280 WeakPolarHBondContact O-CD1 3.44Å; M276-L280 PolarHBondContact O-N 2.68Å
277N55.3Low50.4Low79 Ų79110.9 Ų110.942%0.42260%0.6SS.*Hα-helixtrans-69.3-33.1179.1-162.224.7000112.8Y273 T274 Q275 N281Y273-N277 WeakPolarHBondContact O-CB 3.38Å; Y273-N277 PolarHBondContact O-N 2.82Å; T274-N277 PolarHBondContact O-N 3.04Å; Q275-N277 VanDerWaalsContact C-N 3.33Å; Q275-N277 PolarHBondContact O-N 3.05Å; N277-N281 WeakPolarHBondContact O-CB 3.45Å; N277-N281 PolarHBondContact O-N 3.01Å; N277-N281 PolarHBondContact O-ND2 3.17Å; N277-N281 PolarHBondContact OD1-ND2 3.42Å
278E60.2Low49.5Very low109 Ų109118.6 Ų118.651%0.50962%0.618SS.*Hα-helixtrans-62.5-43.9168.6-90-133-174.400112.1T274 Q275 N281 R282T274-E278 PolarHBondContact O-N 3.46Å; T274-E278 VanDerWaalsContact O-N 3.15Å; Q275-E278 PolarHBondContact O-N 3.17Å; E278-N281 PolarHBondContact O-N 3.39Å; E278-R282 WeakPolarHBondContact O-CB 3.25Å; E278-R282 VanDerWaalsContact O-CG 3.28Å; E278-R282 WeakPolarHBondContact O-CG 3.35Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 IonicContact OE2-CZ 3.83Å; E278-R282 IonicContact OE2-NE 2.76Å; E278-R282 PolarHBondContact OE2-NE 2.98Å; E278-R282 IonicContact OE2-NH2 2.65Å; E278-R282 PolarHBondContact OE2-NH2 3.32Å
279L61.7Low48.7Very low78 Ų78119.3 Ų119.341%0.40863%0.631SS.*Hα-helixtrans-66.2-41.9-177.8-70.3168.8000112.3L268 L271 Q275 M276 T283L268-L279 HydrophobicContact CD2-CD1 4.15Å; L271-L279 HydrophobicContact CD1-CD1 3.77Å; Q275-L279 WeakPolarHBondContact O-CG 3.24Å; Q275-L279 PolarHBondContact O-N 3.49Å; M276-L279 PolarHBondContact O-N 3.44Å; L279-T283 PolarHBondContact O-N 3.04Å; L279-T283 PolarHBondContact O-OG1 3.15Å
280L59.1Low47.9Very low105 Ų105126.2 Ų126.255%0.5564%0.636SS.*Hα-helixtrans-61-49.6173.8-94.466.8000111M276 R282 T283M276-L280 HydrophobicContact CG-CD1 4.13Å; M276-L280 WeakPolarHBondContact O-CD1 3.44Å; M276-L280 PolarHBondContact O-N 2.68Å; L280-R282 PolarHBondContact O-N 3.01Å; L280-T283 PolarHBondContact O-N 2.8Å
281N48.8Very low47.4Very low116 Ų116127.5 Ų127.562%0.6264%0.636SS**Hα-helixtrans-69.8-29.7-176.6-69.5-47.2000113.6N277 E278 T283N277-N281 WeakPolarHBondContact O-CB 3.45Å; N277-N281 PolarHBondContact O-N 3.01Å; N277-N281 PolarHBondContact O-ND2 3.17Å; N277-N281 PolarHBondContact OD1-ND2 3.42Å; E278-N281 PolarHBondContact O-N 3.39Å; N281-T283 VanDerWaalsContact C-N 3.25Å; N281-T283 PolarHBondContact O-N 3Å
282R48.8Very low46.7Very low176 Ų176133.9 Ų133.966%0.66467%0.665SS**Hα-helixtrans-69.2-19.1174-78.1176.2-179.1-81.5-1.3114.1E278 L280 G284E278-R282 WeakPolarHBondContact O-CB 3.25Å; E278-R282 VanDerWaalsContact O-CG 3.28Å; E278-R282 WeakPolarHBondContact O-CG 3.35Å; E278-R282 PolarHBondContact O-N 3.49Å; E278-R282 IonicContact OE2-CZ 3.83Å; E278-R282 IonicContact OE2-NE 2.76Å; E278-R282 PolarHBondContact OE2-NE 2.98Å; E278-R282 IonicContact OE2-NH2 2.65Å; E278-R282 PolarHBondContact OE2-NH2 3.32Å; L280-R282 PolarHBondContact O-N 3.01Å; R282-G284 PolarHBondContact O-N 3.4Å
283T41.6Very low45.6Very low125 Ų125137.6 Ų137.677%0.76768%0.68SS**THydrogen-bonded Turntrans-77-10.2-176.7-53.30000112.7L279 L280 N281L279-T283 PolarHBondContact O-N 3.04Å; L279-T283 PolarHBondContact O-OG1 3.15Å; L280-T283 PolarHBondContact O-N 2.8Å; N281-T283 VanDerWaalsContact C-N 3.25Å; N281-T283 PolarHBondContact O-N 3Å
284G40.4Very low45.3Very low73 Ų73134.3 Ų134.375%0.75368%0.681SS**THydrogen-bonded Turntrans-84.9-19178.900000116.4R282R282-G284 PolarHBondContact O-N 3.4Å
285D37Very low44.8Very low148 Ų148134.5 Ų134.579%0.79168%0.684SS**  trans-113.671.7-166.8-163.99.5000113.4
286R33.3Very low44.6Very low232 Ų232135.2 Ų135.288%0.87570%0.698SS**SBendtrans-142.887.9164.1-151.4168.9-163-158.24113.3
287M31.9Very low44.3Very low147 Ų147138.2 Ų138.272%0.72472%0.721SS**  trans76.982.5154.2-50.9-68.8-83.700118.2
288Y32.3Very low43.9Very low247 Ų247140.1 Ų140.197%0.96974%0.738SS**  trans-14087.1137.6-94.7-68.5000111.1
289S34Very low42.9Very low103 Ų103140.8 Ų140.872%0.7275%0.752SS**  trans-70.9143176.2-58.30000112.1
290R33.9Very low42.2Very low243 Ų243143.5 Ų143.592%0.91777%0.774SS**  trans-64130.8-178.3-165.7-175.8-156.7165.25.9111.7H292R290-H292 PolarHBondContact O-N 3.45Å; R290-H292 VanDerWaalsContact O-N 3.14Å
291P38.2Very low40.9Very low115 Ų115142.1 Ų142.175%0.74779%0.786SS**SBendtrans-84.889-176.532.8-34.8000112.5
292H38.8Very low40.1Very low184 Ų184145.5 Ų145.585%0.85280%0.797SS**  trans-173.281.5149.5-113.7-75.3000112.2R290R290-H292 PolarHBondContact O-N 3.45Å; R290-H292 VanDerWaalsContact O-N 3.14Å
293D42.8Very low40.2Very low156 Ų156142.4 Ų142.483%0.83480%0.8SS**  trans-172.3152.4144.8-107.1-28.8000110.9
294P42.8Very low39.9Very low111 Ų111144.5 Ų144.572%0.72181%0.805SS**PPolyproline II helixtrans-89.4139.8-176.933.9-32.8000113.5
295P49.6Very low39.5Very low116 Ų116144 Ų14475%0.75380%0.8SS**PPolyproline II helixtrans-78.7157.9175.732.6-35.4000113.3
296P46.3Very low39.3Very low118 Ų118145.9 Ų145.977%0.76681%0.805SS**PPolyproline II helixtrans-78.4157.4-17632.3-36.7000114.1
297P52.8Low39.5Very low121 Ų121143.3 Ų143.379%0.78681%0.806SS**PPolyproline II helixtrans-82.6145.5-17832.9-35.5000114
298P47.2Very low39.5Very low119 Ų119145.7 Ų145.777%0.77381%0.812SS**PPolyproline II helixtrans-82.6159171.533.9-34.8000113.3
299P39.3Very low40.7Very low124 Ų124138.8 Ų138.881%0.80580%0.798SS**PPolyproline II helixtrans-83.7160-175.234-36.7000114.6
300P46.7Very low41.2Very low135 Ų135139.8 Ų139.888%0.87780%0.802SS**PPolyproline II helixtrans-93.5152.7-173.836.3-35.9000115.3
301G33.2Very low41.2Very low76 Ų76133.5 Ų133.578%0.78480%0.795SS**  trans-164134.717100000113.2
302H32.3Very low40.9Very low187 Ų187134 Ų13487%0.86680%0.796SS**  trans-117.7-174.6-177.6-94.8-78.2000109.8
303P50.1Low40.6Very low110 Ų110133.1 Ų133.171%0.71480%0.796SS**  -134.7-147.8-84.540.9-18.7000112.4
304L35.4Very low40.1Very low169 Ų169131 Ų13189%0.88579%0.793SS**  trans115.8142.3140.2-159.466.1000119.7
305G32.7Very low39.7Very low63 Ų63130.8 Ų130.865%0.64980%0.795SS**  trans100.6101.5169.800000113.9
306E32.3Very low38.7Very low188 Ų188130.7 Ų130.788%0.87980%0.796SS**  56.3124.263.1-57.8-151.1134.600113.7
307I37.5Very low37.9Very low177 Ų177131 Ų13191%0.90880%0.801SS**  -150.8170.176.6-79149.2000112.2
308K32.3Very low36.9Very low197 Ų197128.7 Ų128.786%0.85780%0.8SS**  trans-103.5-178.1-171.1-109.4-157.9166172.60115.1
309P56.3Low36.1Very low102 Ų102133 Ų13366%0.66281%0.807SS**  trans-113.8-164.4-150.845-35.1000115.1
310P44.2Very low35.8Very low125 Ų125133 Ų13381%0.81281%0.81SS**  -140.1174.2110.338.4-25.4000116.7
311S35.3Very low35Very low110 Ų110134 Ų13477%0.76981%0.808SS**  trans-66.7173.1-178.1-410000114.6
312V32Very low34.9Very low127 Ų127136.1 Ų136.177%0.7781%0.811SS**  cis-140.5168.325.6-74.80000110.1
313I31.6Very low34.7Very low164 Ų164138.6 Ų138.684%0.84181%0.812SS**  -159.3167.254.4-0.5171.4000112.5
314S32Very low34.7Very low112 Ų112138.1 Ų138.178%0.78381%0.809SS**  trans-123.4167.4-179.9-46.60000110.7
315S34.1Very low34.4Very low107 Ų107139 Ų13975%0.74881%0.809SS**  cis-164.1172.22.1-133.40000112.6
316S29.4Very low34.4Very low113 Ų113141.6 Ų141.679%0.7982%0.817SS**  trans57.8115.5150.260.40000122.4
317S30.4Very low34.9Very low125 Ų125139 Ų13987%0.87482%0.816SS**  trans-93.2171140.257.10000109.7
318G30.3Very low34.6Very low73 Ų73134.8 Ų134.875%0.75381%0.808SS**  cis-172.3174.3-1.700000111
319F31.8Very low34.6Very low209 Ų209137 Ų13792%0.91781%0.811SS**  trans-143.5129.5-172-144-76.1000109.6
320S31.7Very low33.3Very low125 Ų125138.8 Ų138.887%0.87482%0.82SS**  trans-179.1153.9157-85.30000112.8
321D31.2Very low32.7Very low156 Ų156137.3 Ų137.383%0.83482%0.818SS**  trans-103.6147.7178.3-144.1-32.1000110.3
322S29.4Very low32.5Very low120 Ų120135.4 Ų135.484%0.83982%0.816SS**  trans169.6143.4149.1-81.70000115.7
323R27.9Very low32.7Very low239 Ų239137.3 Ų137.390%0.90282%0.821SS**  trans-79.6179.3173-114.5-179.5147.8176.2-5.7112.3
324P51Low33Very low99 Ų99137.3 Ų137.364%0.64382%0.823SS**  cis-132.3-161.2-2229.8-6000113.2
325Q29.6Very low33.1Very low189 Ų189136.6 Ų136.688%0.88382%0.818SS**  trans90.7153.3160.9-64.9-175.8-47.100120.2
326S32.3Very low33.5Very low116 Ų116137.2 Ų137.281%0.81182%0.822SS**  trans-117.6163.3-177.6-41.50000109.6
327P43.2Very low34.5Very low133 Ų133136.8 Ų136.886%0.86482%0.815SS**  -145.7-174.282.837.6-18.8000114.7
328A30.7Very low35.8Very low89 Ų89136.6 Ų136.674%0.73681%0.811SS**  trans-92.1154.1-172.500000114.7
329R32.5Very low37.3Very low244 Ų244138.7 Ų138.792%0.92181%0.811SS**  trans164.1118.4130.8-94.9171.7154.5-133.8-4.8114.1
330T29.2Very low38.9Very low139 Ų139134.1 Ų134.185%0.85380%0.803SS**  trans-158.8120.8147.121.50000106.6
331A31.5Very low40.6Very low94 Ų94133.6 Ų133.678%0.77780%0.796SS**  75.5117.585.100000112.4
332G31.8Very low42.4Very low71 Ų71131.7 Ų131.773%0.73279%0.792SS**  trans-79.8159.6-178.300000113.2
333L34.9Very low44.2Very low166 Ų166131.4 Ų131.487%0.86979%0.788SS**  trans-122.5133.2172.3-69.1176.6000110.2S335L333-S335 PolarHBondContact O-N 2.8Å
334N38.7Very low46Very low165 Ų165126 Ų12688%0.88278%0.783SS**  trans-87.587.9-173.5-56.5-19.4000110S336N334-S336 PolarHBondContact O-N 3.29Å
335S34Very low46.5Very low97 Ų97129.1 Ų129.168%0.67879%0.794SS**  trans-87.293.3-179.859.40000112.4L333 T337L333-S335 PolarHBondContact O-N 2.8Å; S335-T337 PolarHBondContact O-N 3.13Å
336S41.5Very low48.3Very low120 Ų120125.3 Ų125.384%0.83979%0.786SS**  trans-77.569172.759.90000111.8N334N334-S336 PolarHBondContact O-N 3.29Å
337T51.9Low50Low104 Ų104125.3 Ų125.364%0.63878%0.783SS**  trans-135.6127.2176.246.30000109.9S335S335-T337 PolarHBondContact O-N 3.13Å
338P57.8Low51Low120 Ų120124.6 Ų124.678%0.77978%0.778SS**PPolyproline II helixtrans-65.1143.9172.429-34000110.1
339P61.6Low52.5Low117 Ų117125.9 Ų125.976%0.7678%0.779SS**PPolyproline II helixtrans-66.1150.3176.828.6-34.8000111
340P65.6Low53.9Low114 Ų114119.7 Ų119.774%0.7477%0.77SS**PPolyproline II helixtrans-63.4150.9173.128.7-35000110.9
341P67.4Low55.1Low114 Ų114119.1 Ų119.174%0.7477%0.769SS**PPolyproline II helixtrans-62.5150.1175.527.8-34.9000111.1
342P67.1Low55.9Low115 Ų115122.5 Ų122.575%0.74777%0.773SS**PPolyproline II helixtrans-63149.9177.727.6-35000111.3
343P68.6Low56.4Low115 Ų115124.6 Ų124.675%0.74777%0.774SS**PPolyproline II helixtrans-62.7148.917627.9-35000111
344P65.8Low56.8Low125 Ų125122.9 Ų122.981%0.81278%0.776SS**PPolyproline II helixtrans-63.4143.9178.727.1-34.6000111.4
345L61.7Low56.9Low165 Ų165123.9 Ų123.986%0.86478%0.777SS**PPolyproline II helixtrans-61144.1174.5-73.6164.7000110.9
346P66.5Low57.1Low109 Ų109122.8 Ų122.871%0.70878%0.781SS**PPolyproline II helixtrans-64.2146.7174.228.3-34.6000110.8
347P68Low57Low116 Ų116125.7 Ų125.775%0.75379%0.786SS**PPolyproline II helixtrans-65.9151.2178.228.5-35.1000111.5
348P64.9Low56.3Low117 Ų117133 Ų13376%0.7680%0.802SS**PPolyproline II helixtrans-64.3149.7176.528.1-35.1000111.6
349P61Low55.1Low117 Ų117130.6 Ų130.676%0.7680%0.8SS**PPolyproline II helixtrans-66.9149.2-179.628.3-35.2000112.1
350P63Low53.8Low113 Ų113130.4 Ų130.473%0.73481%0.808SS**PPolyproline II helixtrans-69.4152.6177.830-35.6000112
351P53Low52.8Low128 Ų128129.5 Ų129.583%0.83181%0.81SS**PPolyproline II helixtrans-67.6138.1176.828.6-34.6000111.7
352L50Low51.5Low164 Ų164129.9 Ų129.986%0.85981%0.813SS**PPolyproline II helixtrans-70.7144.4175.4-74.7162.7000111.4
353P42.1Very low50.8Low116 Ų116130 Ų13075%0.75381%0.813SS**PPolyproline II helixtrans-75.9131.1-178.930.3-34.4000112.1M355P353-M355 PolarHBondContact O-N 3.37Å
354S42.9Very low50Low129 Ų129130.6 Ų130.690%0.90282%0.817SS**  trans-68111.1175-61.70000112.2
355M39.4Very low48.8Very low186 Ų186132.4 Ų132.492%0.91682%0.818SS**  trans-96.5109.5160.9-69.9-146.873.700110P353P353-M355 PolarHBondContact O-N 3.37Å
356G39.9Very low47.9Very low74 Ų74130.1 Ų130.176%0.76381%0.813SS**  trans-89.7131.2178.100000112.8
357L39.2Very low47.2Very low181 Ų181130.4 Ų130.495%0.94882%0.815SS**  trans-127.6144.2160.5-75.8175.1000109.7
358R36.3Very low45.5Very low257 Ų257132.5 Ų132.597%0.9782%0.819SS**  trans-79.7147-176-66.4172162.3-164.1-4.3111.6
359G33.9Very low44.4Very low71 Ų71132.7 Ų132.773%0.73282%0.821SS**  trans174.886.8162.900000117.7
360A33.8Very low43.4Very low113 Ų113134.7 Ų134.793%0.93482%0.823SS**  trans62156.7162.300000119.1
361A44.7Very low42Very low95 Ų95138 Ų13879%0.78583%0.829SS**  trans-146.6144.5178.500000111.6
362P38.8Very low41.2Very low122 Ų122140.1 Ų140.179%0.79283%0.827SS**PPolyproline II helixtrans-90.7166.517235.5-32.8000113.1
363P53.9Low40.7Very low117 Ų117141.2 Ų141.276%0.7683%0.828SS**PPolyproline II helixtrans-88.9165.9-165.535.3-37.6000115.9
364P50.6Low40.4Very low127 Ų127141.1 Ų141.183%0.82583%0.827SS**PPolyproline II helixtrans-84156.9-179.934.8-36.7000114.4
365I41.4Very low40.3Very low163 Ų163140.9 Ų140.984%0.83682%0.823SS**  trans-134.1147.3178.9-75.4179.1000108.4
366P42.6Very low40.4Very low117 Ų117136.9 Ų136.976%0.7682%0.819SS**  trans-88.5168.1-153.534.5-37.4000116.4
367P51.7Low40.5Very low116 Ų116141.1 Ų141.175%0.75382%0.823SS**  trans-94.9175.9-173.738.6-38000115.5
368L32.5Very low41.3Very low160 Ų160137.4 Ų137.484%0.83881%0.809SS**  trans111.9152.4167.6-65.1171.9000114.8
369P41.3Very low42.1Very low121 Ų121130.7 Ų130.779%0.78680%0.799SS**  cis-116.6178.3-2.440.3-28.1000114.5
370I41.3Very low42.8Very low159 Ų159133 Ų13382%0.81580%0.801SS**  trans-96.2142.4177.8-69.8159.8000110.7
371Q33.3Very low43.3Very low183 Ų183133.6 Ų133.686%0.85580%0.795SS**  trans-144.7103156.5-156.517688.800112.9
372H36.6Very low43.4Very low171 Ų171133.2 Ų133.279%0.79279%0.793SS**  trans40.8108.8153.4-63.3-98.2000120.9
373Q38.2Very low43.4Very low188 Ų188133.5 Ų133.588%0.87979%0.794SS**PPolyproline II helixtrans-85.9150.1153.7-69.7-178.3-51.800111.4
374P36.7Very low42.5Very low113 Ų113135.3 Ų135.373%0.73480%0.797SS**PPolyproline II helixtrans-75152.8154.233.5-32.8000110.9
375P41.1Very low42.1Very low125 Ų125138.5 Ų138.581%0.81280%0.801SS**PPolyproline II helixtrans-75.7151.6-172.330.6-36000113.9
376A41Very low41.8Very low101 Ų101137.9 Ų137.984%0.83580%0.797SS**PPolyproline II helixtrans-74.6146173.500000112.4
377I42.1Very low41.5Very low163 Ų163136.4 Ų136.484%0.83680%0.795SS**PPolyproline II helixtrans-85.9132.6177.3-60.5172.9000109.2
378P54.8Low40.6Very low103 Ų103137.4 Ų137.467%0.66980%0.802SS**PPolyproline II helixtrans-72.4157.2176.430.7-35.7000112.4
379P54Low41Very low117 Ų117133.1 Ų133.176%0.7680%0.796SS**PPolyproline II helixtrans-65.7151177.928.5-35.5000112.3
380P48.1Very low40.6Very low119 Ų119134.6 Ų134.677%0.77380%0.803SS**PPolyproline II helixtrans-70.8150.2-179.129.6-35.5000112.5
381P45.8Very low40.4Very low125 Ų125134.1 Ų134.181%0.81280%0.801SS**PPolyproline II helixtrans-73.1154.1175.531.6-35.5000112.2
382A45Very low40.9Very low88 Ų88133.6 Ų133.673%0.72780%0.798SS**PPolyproline II helixtrans-72151.5174.600000112.1
383P38.9Very low41.7Very low127 Ų127131.2 Ų131.283%0.82580%0.798SS**PPolyproline II helixtrans-68.5132.8-179.4-1831.9000112.8
384L35.9Very low41.5Very low155 Ų155126.9 Ų126.981%0.81279%0.794SS**PPolyproline II helixtrans-81.4138.2168.5-69.2172.7000110.6I386L384-I386 HydrophobicContact CB-CD1 3.98Å
385Q41.7Very low41.8Very low194 Ų194127 Ų12791%0.90780%0.795SS**PPolyproline II helixtrans-86123.3173.3-60.7177.49.300110.2
386I36.3Very low41.9Very low150 Ų150126.7 Ų126.777%0.76979%0.793SS**  trans-131.7145.6165.8-71.492.1000108.9L384L384-I386 HydrophobicContact CB-CD1 3.98Å
387A34.6Very low42.2Very low87 Ų87128 Ų12872%0.71979%0.793SS**  trans-79.3165.9-173.200000113.7
388P34.5Very low42.2Very low136 Ų136127 Ų12788%0.88379%0.794SS**  trans-86.3141.6-170.433.3-35000114.6
389G39Very low41.3Very low70 Ų70126.3 Ų126.372%0.72280%0.797SS**  trans152.6162.7162.500000116.1
390V34Very low40.6Very low153 Ų153126.3 Ų126.393%0.92780%0.797SS**  trans80156.4174.7-1680000115.4
391L36.3Very low40.1Very low148 Ų148126.1 Ų126.178%0.77580%0.796SS**  trans-130.8169.9-148.9-68.7161.6000115.1
392H43.3Very low39.5Very low173 Ų173128.5 Ų128.580%0.80180%0.801SS**  trans85.4155.8154.9-77.7-58.9000119.8
393P54.7Low38.8Very low120 Ų120133 Ų13378%0.77981%0.806SS**  trans-124.6171.5-131.844-33.3000117
394A34.6Very low38.4Very low97 Ų97132.7 Ų132.780%0.80281%0.808SS**  trans-148.9165173.300000111.5
395P42.3Very low38.1Very low117 Ų117131.1 Ų131.176%0.7681%0.81SS**PPolyproline II helixtrans-94167.2-15736.8-37000116.5
396P43.4Very low37.4Very low118 Ų118127.4 Ų127.477%0.76681%0.805SS**PPolyproline II helixtrans-77.1147.5179.431.6-36.5000114.1
397P46.9Very low37.5Very low128 Ų128126.6 Ų126.683%0.83181%0.809SS**PPolyproline II helixtrans-82.715217433.6-34.7000113.3
398V41.6Very low37.1Very low142 Ų142127.1 Ų127.186%0.86181%0.813SS**PPolyproline II helixtrans-84.3142.9178.6177.40000111.4
399A37Very low36.7Very low88 Ų88130.9 Ų130.973%0.72781%0.81SS**PPolyproline II helixtrans-94138.917900000113.4
400P39.2Very low36.2Very low118 Ų118135.6 Ų135.677%0.76682%0.818SS**PPolyproline II helixtrans-83.2162.116834.4-33.8000112.4
401P37.3Very low36.1Very low114 Ų114135.7 Ų135.774%0.7481%0.808SS**PPolyproline II helixtrans-84156.6-165.332.8-37000115.8
402L32.4Very low35.8Very low175 Ų175138.3 Ų138.392%0.91682%0.816SS**PPolyproline II helixtrans-76135.2172.8-64.1169.1000111.7
403H30.8Very low35Very low182 Ų182133 Ų13384%0.84381%0.808SS**  trans-127.4132.7164.3-88.3-115.8000109.9
404S30.8Very low33.8Very low122 Ų122135.9 Ų135.985%0.85381%0.811SS**  trans-106.1140.5-176500000112
405S28.7Very low33.5Very low122 Ų122136.3 Ų136.385%0.85380%0.8SS**  trans-156.8130.1164.850.80000111.3
406S27.5Very low33Very low115 Ų115139.6 Ų139.680%0.80480%0.802SS**  trans-85.1153.2166.4-640000109.9
407P37.6Very low32.2Very low134 Ų134137.4 Ų137.487%0.8780%0.801SS**  trans-75.1145.5-168.129.6-36000113.5
408A27.3Very low31.4Very low97 Ų97140.2 Ų140.280%0.80281%0.808SS**  trans-105.9152.4170.700000111.8
409R26.8Very low30.8Very low216 Ų216137.5 Ų137.582%0.81581%0.809SS**  trans-61.3140.8179.6-173.1-173.3-159.2174.36.6112.6
410L27.1Very low30.4Very low169 Ų169137.1 Ų137.189%0.88581%0.814SS**  trans-121.1149.9163.9-78.6173.4000111.4
411Q32.2Very low29.9Very low154 Ų154137.2 Ų137.272%0.7282%0.818SS**  trans-139.9135.2170.5-75.8-168.196.700109.7
412H29.4Very low29.6Very low203 Ų203137.7 Ų137.794%0.9482%0.823SS**  trans-166.8151.2157.4-105.764.8000107
413G26.8Very low29.4Very low61 Ų61132.2 Ų132.263%0.62981%0.81SS**  cis149.4121.6-700000112.3
414Q29.9Very low29.3Very low181 Ų181129.8 Ų129.885%0.84681%0.808SS**  trans66.2159-179.1-72.5-177.7-111.100115.8
415D29.1Very low29.5Very low107 Ų107132.5 Ų132.557%0.57281%0.812SS**  cis-150.5171.4-0.7-141.9-18.5000114.1
416K31Very low29.6Very low185 Ų185132.5 Ų132.580%0.80481%0.811SS**  trans49.9132.3150.3-75.8165.3-170.3174.60122.7
417G26.8Very low30Very low73 Ų73135 Ų13575%0.75382%0.816SS**  trans169.314.3138.300000125.6
418L30.7Very low29.8Very low186 Ų186131.7 Ų131.797%0.97481%0.806SS**  trans60.8128.1165.4-68.8165.8000121
419G28.1Very low30.3Very low85 Ų85133.3 Ų133.388%0.87681%0.806SS**  trans122.3109.6132.100000119.1
420G28.1Very low30.9Very low81 Ų81130.9 Ų130.984%0.83581%0.807SS**  trans146.9121.7161.400000116.2
421S30.8Very low31.8Very low120 Ų120129.8 Ų129.884%0.83980%0.802SS**  trans-59.4164.1168.356.90000113.3
422S29.3Very low32.8Very low123 Ų123127.8 Ų127.886%0.8680%0.802SS**  cis-166.8176.125.6-159.40000111.7
423G28.1Very low34.1Very low61 Ų61123.6 Ų123.663%0.62979%0.793SS**  trans107.284.214600000119.5
424T30.1Very low35.4Very low131 Ų131126.1 Ų126.180%0.80480%0.798SS**  trans30.6113.1133.858.60000120.4
425L34.6Very low36.8Very low179 Ų179123.2 Ų123.294%0.93780%0.795SS**  171.1135.3106.1-90.4169.5000109.8
426S31.4Very low38.3Very low121 Ų121123.8 Ų123.885%0.84681%0.805SS**  trans-135.3115.2176.4590000109.3
427D35.3Very low39.6Very low169 Ų169120.5 Ų120.590%0.90480%0.802SS**  trans-128.6144165-158.9-6.2000108.9
428G34.1Very low41.2Very low64 Ų64122.5 Ų122.566%0.6680%0.802SS**  trans-110.8111.3-16000000113.2
429T36.8Very low42.6Very low130 Ų130119.6 Ų119.680%0.79879%0.794SS**  trans-120.2106.7165.4-61.10000109.7
430I40.2Very low43.8Very low165 Ų165123 Ų12385%0.84679%0.792SS**PPolyproline II helixtrans-80.8116.8177.9-61.1170.4000108.3
431L45.2Very low44.7Very low147 Ų147125.3 Ų125.377%0.7779%0.792SS**PPolyproline II helixtrans-74138.2170.4-66175.5000110.2
432P53.3Low45.2Very low112 Ų112127.3 Ų127.373%0.72779%0.792SS**PPolyproline II helixtrans-68.9152.7174.229.9-34.8000111.2
433P56.4Low45.6Very low115 Ų115127.4 Ų127.475%0.74779%0.79SS**PPolyproline II helixtrans-66.4152.7176.129.1-35.2000111.7
434P53.6Low45.8Very low114 Ų114127.8 Ų127.874%0.7479%0.794SS**PPolyproline II helixtrans-65.3151.6177.428.5-35.5000111.9
435P59.5Low45.9Very low119 Ų119128.9 Ų128.977%0.77380%0.8SS**PPolyproline II helixtrans-65.8149.7178.828.3-35.3000111.9
436P61.7Low45.7Very low120 Ų120131.4 Ų131.478%0.77980%0.797SS**PPolyproline II helixtrans-68.4152.1177.929.5-35.4000112
437P58.4Low45.6Very low116 Ų116131.4 Ų131.475%0.75380%0.797SS**PPolyproline II helixtrans-66.5153.1175.829.2-35.5000111.9
438P60.7Low45.4Very low114 Ų114128.8 Ų128.874%0.7479%0.792SS**PPolyproline II helixtrans-65.6147.1178.628-35.1000111.9
439P58.1Low45.3Very low125 Ų125130.8 Ų130.881%0.81280%0.796SS**PPolyproline II helixtrans-70.4137.6-178.128.8-34.8000112.2
440L54.7Low45.6Very low158 Ų158130.2 Ų130.283%0.82780%0.795SS**PPolyproline II helixtrans-71.1140.6170.8-66.4172.2000110.4L442L440-L442 PolarHBondContact O-N 3.13Å
441P45.6Very low45Very low128 Ų128127 Ų12783%0.83179%0.786SS**PPolyproline II helixtrans-66.5126-179.3-20.733000112.8
442L42.5Very low44.5Very low162 Ų162128.1 Ų128.185%0.84879%0.787SS**PPolyproline II helixtrans-85.2148.2170.1-81.1165.8000111.5L440 G444L440-L442 PolarHBondContact O-N 3.13Å; L442-G444 PolarHBondContact O-N 2.78Å
443P36.3Very low43.6Very low126 Ų126128.7 Ų128.782%0.81879%0.793SS**  trans-82.9101.3-164.431.4-36000114.7
444G33.7Very low42.6Very low69 Ų69126.5 Ų126.571%0.71179%0.792SS**  trans76.3112.9135.100000120.2L442L442-G444 PolarHBondContact O-N 2.78Å
445V31.6Very low42.1Very low154 Ų154127 Ų12793%0.93380%0.795SS**  trans-127.7154.5150.4-176.10000108.3
446R29.6Very low41.5Very low231 Ų231127.2 Ų127.287%0.87280%0.796SS**  trans-109.3145.1-156.5-58.8170.5169.9-158.5-3115
447S29.8Very low40.7Very low121 Ų121127.4 Ų127.485%0.84680%0.797SS**  trans-164.9137.6137-149.40000108.4
448S31.2Very low39.9Very low114 Ų114128.6 Ų128.680%0.79780%0.803SS**  cis-142.5159.21.451.90000111.9
449S31.8Very low39.1Very low106 Ų106129.2 Ų129.274%0.74181%0.807SS**  trans-80173.5175.8-69.90000112.5
450P43.7Very low37.9Very low119 Ų119128 Ų12877%0.77381%0.807SS**  cis-125.5175.518.545.7-30000114.8
451C28.4Very low37Very low98 Ų98130.1 Ų130.166%0.66281%0.81SS**  cis-156.9144.341.4-116.60000115.4
452Q33.5Very low36.8Very low170 Ų170130 Ų13079%0.79481%0.809SS**  trans64141.1141.3-64.1-178.755.400124.4
453S34.1Very low36.2Very low123 Ų123127.9 Ų127.986%0.8681%0.808SS**  trans60.9127.5156.951.30000120.9
454G36.3Very low36Very low69 Ų69126.8 Ų126.871%0.71181%0.809SS**  trans-113.1-175169.300000113.2
455P43Very low35.8Very low126 Ų126127.5 Ų127.582%0.81882%0.817SS**PPolyproline II helixtrans-85.3153.4-170.934.1-36.2000114.4
456P47.6Very low35.8Very low122 Ų122124.7 Ų124.779%0.79281%0.81SS**PPolyproline II helixtrans-86.9145.417534.4-34000113.3
457P43.3Very low36Very low124 Ų124122.4 Ų122.481%0.80581%0.811SS**PPolyproline II helixtrans-89.5169.2168.636.4-34.5000113
458V42.8Very low36Very low142 Ų142121.3 Ų121.386%0.86181%0.81SS**PPolyproline II helixtrans-80.8148179.6-68.20000113.9
459P44.7Very low35.9Very low127 Ų127121.4 Ų121.483%0.82581%0.81SS**PPolyproline II helixtrans-98.4156.3164.136.7-31.3000112.5
460A31.1Very low36.7Very low98 Ų98122.1 Ų122.181%0.8181%0.812SS**  trans-116.5160.1176.100000112.2
461F36.1Very low36.9Very low203 Ų203121.9 Ų121.989%0.8981%0.811SS**  trans-74.5158.3175.4-68.2-87.2000112.5
462P41.3Very low37.8Very low126 Ų126122.6 Ų122.682%0.81881%0.814SS**  -138.5168.7104.138.4-27.4000115.1
463S30.8Very low37.8Very low118 Ų118123 Ų12383%0.82582%0.816SS**  trans-93156.7-175-45.70000114.3
464A31.7Very low37.9Very low103 Ų103120.9 Ų120.985%0.85181%0.806SS**  -178.8132.5125.900000112
465G30.1Very low37.7Very low84 Ų84126 Ų12687%0.86681%0.813SS**  trans-89.1-179.8-168.200000118.5
466A31.5Very low37.4Very low95 Ų95128.6 Ų128.679%0.78581%0.814SS**  trans-158.7115.716100000113.4
467M33.1Very low36.5Very low182 Ų182130.3 Ų130.390%0.89782%0.817SS**  trans50121.9140-47.7-49177.600124.7
468A29.3Very low36.1Very low99 Ų99130.4 Ų130.482%0.81881%0.814SS**  82160127.600000122.6
469S29.2Very low35.6Very low116 Ų116126.6 Ų126.681%0.81180%0.804SS**  trans-134.4-157.1-167.6-52.40000111.6
470P49.8Very low35.2Very low121 Ų121127.8 Ų127.879%0.78681%0.809SS**  -96.9-149.3-100.941.9-23.9000111.4
471P48.3Very low35.4Very low114 Ų114132.4 Ų132.474%0.7481%0.811SS**  cis-125-144.3-6.440.8-17.9000110.5
472P46.5Very low35.5Very low113 Ų113132.8 Ų132.873%0.73481%0.806SS**  cis-129.8-111.6-5.738.9-15.5000116
473H33.8Very low35.2Very low178 Ų178134.7 Ų134.782%0.82480%0.804SS**  trans-149.8162.8-153.3-75.2-83.1000116.9
474A36.3Very low35.8Very low79 Ų79137.7 Ų137.765%0.65381%0.805SS**  trans77.5150.7157.100000116.7
475M32.7Very low36.4Very low176 Ų176138.5 Ų138.587%0.86780%0.801SS**  cis-128.7-172.432.6-55.9-68160.700115.3
476H35.2Very low36.9Very low180 Ų180139.1 Ų139.183%0.83379%0.792SS**  trans-81.1160.7-169.7-63.6-111.4000116.5
477D29.9Very low37.5Very low159 Ų159142.8 Ų142.885%0.8580%0.799SS**  -149.1178.9124-159.610.6000111.8
478V35Very low38.4Very low125 Ų125140.1 Ų140.176%0.75879%0.788SS**  trans-117.2122.2-152.3173.70000115.8
479G32.3Very low39.1Very low62 Ų62140.2 Ų140.264%0.63978%0.78SS**  91120.3121.800000121
480T35.5Very low40.3Very low153 Ų153139.4 Ų139.494%0.93977%0.772SS**  trans-154.8166.8133.10.80000110.4
481K36.3Very low40.3Very low195 Ų195140.3 Ų140.385%0.84877%0.768SS**  trans-106.4136.3-159.9-71.9176.2179171.40114
482R36.9Very low40.8Very low210 Ų210138.9 Ų138.979%0.79276%0.761SS**  trans51.9128.7153.8-59.4-164.5-62-161.72117.7
483H36.2Very low42.3Very low167 Ų167138.7 Ų138.777%0.77375%0.754SS**  -161145.589.3-103.2-85.2000110.2
484H41.6Very low44.4Very low181 Ų181134 Ų13484%0.83875%0.746SS**PPolyproline II helixtrans-90.4133.1171.6-68.632.6000109.4
485P44.8Very low46.9Very low120 Ų120138.7 Ų138.778%0.77975%0.747SS**PPolyproline II helixtrans-85.8135.3141.632.3-26.5000109.3
486S39.7Very low49.6Very low96 Ų96132.8 Ų132.867%0.67172%0.723SS**PPolyproline II helixtrans-48.3131.3178.947.50000114.5L488S486-L488 PolarHBondContact O-N 2.89Å
487N46Very low52.2Low172 Ų172128 Ų12892%0.9271%0.706SS**  trans-66.897.3159.3-114-38.3000108.9
488L50.9Low55.1Low127 Ų127124 Ų12467%0.66568%0.684SS**  trans-107.5140.7157.2-70.1173.6000107.1S486S486-L488 PolarHBondContact O-N 2.89Å
489P44.2Very low57.9Low100 Ų100121.5 Ų121.565%0.64967%0.667SS**  trans-59.2148.5174.826.7-34.3000110I491P489-I491 VanDerWaalsContact C-N 3.32Å; P489-I491 PolarHBondContact O-N 3.3Å
490P53.5Low60.7Low100 Ų100121.6 Ų121.665%0.64965%0.65SS**  trans-74.378.9-169.729.8-36.2000113.3S492 D493P490-S492 PolarHBondContact O-N 3.03Å; P490-D493 PolarHBondContact O-N 2.86Å; P490-D493 VanDerWaalsContact O-N 3.09Å
491I51.5Low63.3Low139 Ų139114.8 Ų114.871%0.71361%0.61SS**THydrogen-bonded Turntrans-54.2-19.2164.3-52.8170.8000111P489 D493P489-I491 VanDerWaalsContact C-N 3.32Å; P489-I491 PolarHBondContact O-N 3.3Å; I491-D493 VanDerWaalsContact C-N 3.3Å; I491-D493 PolarHBondContact O-N 3.47Å
492S58.7Low65.9Low84 Ų84108.9 Ų108.959%0.58759%0.586SS**Hα-helixtrans-52.2-40.8171.6-164.20000113.7P490 R495 S496P490-S492 PolarHBondContact O-N 3.03Å; S492-R495 PolarHBondContact O-N 3.24Å; S492-S496 WeakPolarHBondContact O-CA 3.33Å; S492-S496 WeakPolarHBondContact O-CB 3.49Å; S492-S496 PolarHBondContact O-N 3.39Å
493D76.3Confident68.5Low109 Ų109104.2 Ų104.258%0.58357%0.569SS**Hα-helixtrans-73.4-56.2-158.2-133.814.1000112.9P490 I491 R495 S496 V497P490-D493 PolarHBondContact O-N 2.86Å; P490-D493 VanDerWaalsContact O-N 3.09Å; I491-D493 VanDerWaalsContact C-N 3.3Å; I491-D493 PolarHBondContact O-N 3.47Å; D493-R495 VanDerWaalsContact C-N 3.26Å; D493-R495 PolarHBondContact O-N 3.18Å; D493-S496 WeakPolarHBondContact O-CB 3.35Å; D493-S496 PolarHBondContact O-N 2.71Å; D493-S496 VanDerWaalsContact O-N 3.08Å; D493-V497 WeakPolarHBondContact O-CG2 3.46Å; D493-V497 PolarHBondContact O-N 3.11Å
494A79.4Confident71.1Confident80 Ų80100.7 Ų100.766%0.66155%0.551SS**Hα-helixtrans-59.2-37.417500000112.4L498A494-L498 WeakPolarHBondContact O-CB 3.43Å; A494-L498 PolarHBondContact O-N 3.35Å
495R87.4Confident73.3Confident178 Ų17892.8 Ų92.867%0.67252%0.519SS*.Hα-helixtrans-67.4-38.9175.6-173.7177.7179.5-177.90.4111.9S492 D493 L499S492-R495 PolarHBondContact O-N 3.24Å; D493-R495 VanDerWaalsContact C-N 3.26Å; D493-R495 PolarHBondContact O-N 3.18Å; R495-L499 HydrophobicContact CG-CD1 4.01Å; R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 WeakPolarHBondContact O-CG 3.19Å; R495-L499 PolarHBondContact O-N 3.37Å
496S89.1Confident75.5Confident52 Ų5292.1 Ų92.136%0.36451%0.508SS..Hα-helixtrans-68.2-45178.4-174.20000110.9S492 D493 L499 E500S492-S496 WeakPolarHBondContact O-CA 3.33Å; S492-S496 WeakPolarHBondContact O-CB 3.49Å; S492-S496 PolarHBondContact O-N 3.39Å; D493-S496 WeakPolarHBondContact O-CB 3.35Å; D493-S496 PolarHBondContact O-N 2.71Å; D493-S496 VanDerWaalsContact O-N 3.08Å; S496-L499 PolarHBondContact O-N 2.8Å; S496-E500 VanDerWaalsContact O-CB 3.23Å; S496-E500 WeakPolarHBondContact O-CB 3.48Å; S496-E500 PolarHBondContact O-N 2.91Å
497V90.1Very high77.8Confident80 Ų8093.7 Ų93.749%0.48550%0.504SS..Hα-helixtrans-62.8-43.1176.4176.10000111.3L92 D493 E500 A501L92-V497 HydrophobicContact CD1-CG1 3.89Å; D493-V497 WeakPolarHBondContact O-CG2 3.46Å; D493-V497 PolarHBondContact O-N 3.11Å; V497-E500 PolarHBondContact O-N 3.39Å; V497-A501 WeakPolarHBondContact O-CB 3.39Å; V497-A501 PolarHBondContact O-N 3.32Å
498L92.2Very high79.7Confident73 Ų7389.8 Ų89.838%0.38248%0.483SS..Hα-helixtrans-63.2-46.3173.8175.560.4000112.1L92 I95 A494 E500 A501 I502L92-L498 HydrophobicContact CD1-CB 4.36Å; L92-L498 HydrophobicContact CD2-CD1 3.78Å; I95-L498 HydrophobicContact CD1-CD1 4.5Å; A494-L498 WeakPolarHBondContact O-CB 3.43Å; A494-L498 PolarHBondContact O-N 3.35Å; L498-E500 VanDerWaalsContact C-N 3.28Å; L498-E500 PolarHBondContact O-N 3.18Å; L498-A501 PolarHBondContact O-N 3.04Å; L498-I502 HydrophobicContact CD1-CD1 4.02Å; L498-I502 HydrophobicContact CD1-CG1 4.37Å; L498-I502 HydrophobicContact CG-CD1 4Å; L498-I502 WeakPolarHBondContact O-CG1 3.41Å; L498-I502 PolarHBondContact O-N 2.86Å
499L93.6Very high81.4Confident74 Ų7492.3 Ų92.339%0.38748%0.483SS..Hα-helixtrans-65.2-32177.2-72.8171.3000112.3R495 S496 I502 R503R495-L499 HydrophobicContact CG-CD1 4.01Å; R495-L499 WeakPolarHBondContact O-CB 3.44Å; R495-L499 WeakPolarHBondContact O-CG 3.19Å; R495-L499 PolarHBondContact O-N 3.37Å; S496-L499 PolarHBondContact O-N 2.8Å; L499-I502 PolarHBondContact O-N 3.21Å; L499-R503 WeakPolarHBondContact O-CB 3.42Å; L499-R503 WeakPolarHBondContact O-CG 3.32Å; L499-R503 PolarHBondContact O-N 3.43Å
500E91.4Very high83.5Confident64 Ų6494.8 Ų94.830%0.29948%0.484SS..Hα-helixtrans-70.1-40.5173.7-178.556.8-162.600112.1S496 V497 L498 I502 R503 K504S496-E500 VanDerWaalsContact O-CB 3.23Å; S496-E500 WeakPolarHBondContact O-CB 3.48Å; S496-E500 PolarHBondContact O-N 2.91Å; V497-E500 PolarHBondContact O-N 3.39Å; L498-E500 VanDerWaalsContact C-N 3.28Å; L498-E500 PolarHBondContact O-N 3.18Å; E500-I502 VanDerWaalsContact C-N 3.33Å; E500-R503 PolarHBondContact O-N 3.13Å; E500-R503 IonicContact OE2-CZ 3.09Å; E500-R503 IonicContact OE2-NE 3.21Å; E500-R503 PolarHBondContact OE2-NE 2.82Å; E500-R503 IonicContact OE2-NH2 3.84Å; E500-R503 PolarHBondContact OE2-NH2 3.32Å; E500-K504 HydrophobicContact CG-CD 4.42Å; E500-K504 WeakPolarHBondContact O-CB 3.47Å; E500-K504 PolarHBondContact O-N 3.17Å; E500-K504 WeakPolarHBondContact OE1-CE 3.47Å; E500-K504 IonicContact OE1-NZ 2.76Å; E500-K504 PolarHBondContact OE1-NZ 3.21Å
501A89.7Confident85Confident10 Ų1094.8 Ų94.88%0.08348%0.482CS..Hα-helixtrans-61.2-42.6171.500000111.2T96 V497 L498 K504 G505T96-A501 HydrophobicContact CG2-CB 3.87Å; T96-A501 WeakPolarHBondContact CG2-O 3.42Å; V497-A501 WeakPolarHBondContact O-CB 3.39Å; V497-A501 PolarHBondContact O-N 3.32Å; L498-A501 PolarHBondContact O-N 3.04Å; A501-K504 PolarHBondContact O-N 3.5Å; A501-G505 PolarHBondContact O-N 3.36Å
502I90.6Very high86.5Confident70 Ų7092.1 Ų92.136%0.35947%0.466SS..Hα-helixtrans-64.3-45.3175.1-67.9164.4000111.3L498 L499 E500 K504 G505 I506L498-I502 HydrophobicContact CD1-CD1 4.02Å; L498-I502 HydrophobicContact CD1-CG1 4.37Å; L498-I502 HydrophobicContact CG-CD1 4Å; L498-I502 WeakPolarHBondContact O-CG1 3.41Å; L498-I502 PolarHBondContact O-N 2.86Å; L499-I502 PolarHBondContact O-N 3.21Å; E500-I502 VanDerWaalsContact C-N 3.33Å; I502-K504 PolarHBondContact O-N 2.9Å; I502-G505 PolarHBondContact O-N 3.16Å; I502-I506 HydrophobicContact CG2-CD1 3.79Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 WeakPolarHBondContact O-CG1 3.49Å; I502-I506 PolarHBondContact O-N 2.89Å
503R92.3Very high87.7Confident113 Ų11392.7 Ų92.743%0.42646%0.46SS..Hα-helixtrans-56.3-47.6175.4-78.8-174.7-64.2-98.75.5111.6L499 E500 I506 Q507L499-R503 WeakPolarHBondContact O-CB 3.42Å; L499-R503 WeakPolarHBondContact O-CG 3.32Å; L499-R503 PolarHBondContact O-N 3.43Å; E500-R503 PolarHBondContact O-N 3.13Å; E500-R503 IonicContact OE2-CZ 3.09Å; E500-R503 IonicContact OE2-NE 3.21Å; E500-R503 PolarHBondContact OE2-NE 2.82Å; E500-R503 IonicContact OE2-NH2 3.84Å; E500-R503 PolarHBondContact OE2-NH2 3.32Å; R503-I506 PolarHBondContact O-N 2.81Å; R503-Q507 WeakPolarHBondContact O-CG 3.47Å; R503-Q507 PolarHBondContact O-N 3.39Å
504K89.8Confident87.9Confident92 Ų9292.7 Ų92.740%0.446%0.457SS..Hα-helixtrans-63.5-43.9176.1-77.5170.5170.3141.80112.2T96 E500 A501 I502 I506 Q507 L508T96-K504 HydrophobicContact CG2-CB 4.01Å; E500-K504 HydrophobicContact CG-CD 4.42Å; E500-K504 WeakPolarHBondContact O-CB 3.47Å; E500-K504 PolarHBondContact O-N 3.17Å; E500-K504 WeakPolarHBondContact OE1-CE 3.47Å; E500-K504 IonicContact OE1-NZ 2.76Å; E500-K504 PolarHBondContact OE1-NZ 3.21Å; A501-K504 PolarHBondContact O-N 3.5Å; I502-K504 PolarHBondContact O-N 2.9Å; K504-I506 VanDerWaalsContact C-N 3.33Å; K504-I506 PolarHBondContact O-N 2.98Å; K504-Q507 PolarHBondContact O-N 3.05Å; K504-L508 WeakPolarHBondContact O-CB 3.41Å; K504-L508 VanDerWaalsContact O-CG 3.28Å; K504-L508 WeakPolarHBondContact O-CG 3.36Å; K504-L508 PolarHBondContact O-N 3.21Å
505G88.8Confident87.9Confident15 Ų1598.1 Ų98.116%0.15546%0.46CS..Hα-helixtrans-60.8-38.1176.600000113.3A501 I502 R509A501-G505 PolarHBondContact O-N 3.36Å; I502-G505 PolarHBondContact O-N 3.16Å; G505-R509 VanDerWaalsContact O-CB 3.27Å; G505-R509 WeakPolarHBondContact O-CB 3.49Å; G505-R509 PolarHBondContact O-N 3.18Å
506I89.2Confident87.5Confident107 Ų10794.3 Ų94.355%0.54945%0.45SS..Hα-helixtrans-68.4-45.5174.8-68.1166.1000111I502 R503 K504 R509 K510I502-I506 HydrophobicContact CG2-CD1 3.79Å; I502-I506 HydrophobicContact CG2-CG1 4.44Å; I502-I506 WeakPolarHBondContact O-CG1 3.49Å; I502-I506 PolarHBondContact O-N 2.89Å; R503-I506 PolarHBondContact O-N 2.81Å; K504-I506 VanDerWaalsContact C-N 3.33Å; K504-I506 PolarHBondContact O-N 2.98Å; I506-R509 PolarHBondContact O-N 2.99Å; I506-K510 WeakPolarHBondContact O-CB 3.32Å; I506-K510 PolarHBondContact O-N 3.43Å
507Q89.3Confident86.6Confident128 Ų12897.2 Ų97.260%0.59846%0.458SS*.Hα-helixtrans-60.6-48.2176.6-72.4172.5-2.300111.7R503 K504 K510 V511R503-Q507 WeakPolarHBondContact O-CG 3.47Å; R503-Q507 PolarHBondContact O-N 3.39Å; K504-Q507 PolarHBondContact O-N 3.05Å; Q507-K510 PolarHBondContact O-N 2.91Å; Q507-V511 WeakPolarHBondContact O-CG2 3.45Å; Q507-V511 PolarHBondContact O-N 3.13Å
508L86Confident85.7Confident90 Ų9098.6 Ų98.647%0.47146%0.459SS..Hα-helixtrans-61.4-44.3177.6-73.1167000111.7T96 K504 K510 V511 E512T96-L508 VanDerWaalsContact O-CD1 3.23Å; T96-L508 WeakPolarHBondContact O-CD1 3.45Å; K504-L508 WeakPolarHBondContact O-CB 3.41Å; K504-L508 VanDerWaalsContact O-CG 3.28Å; K504-L508 WeakPolarHBondContact O-CG 3.36Å; K504-L508 PolarHBondContact O-N 3.21Å; L508-K510 PolarHBondContact O-N 3.47Å; L508-V511 PolarHBondContact O-N 2.87Å; L508-E512 WeakPolarHBondContact O-CB 3.47Å; L508-E512 PolarHBondContact O-N 3.48Å
509R85.8Confident84.5Confident180 Ų18097.2 Ų97.268%0.67946%0.458SS*.Hα-helixtrans-60.7-43.1175.6-171.5-176.5-57.7-1803111.8G505 I506 V511 E512 E513G505-R509 VanDerWaalsContact O-CB 3.27Å; G505-R509 WeakPolarHBondContact O-CB 3.49Å; G505-R509 PolarHBondContact O-N 3.18Å; I506-R509 PolarHBondContact O-N 2.99Å; R509-V511 PolarHBondContact O-N 3.22Å; R509-E512 PolarHBondContact O-N 3.34Å; R509-E513 WeakPolarHBondContact O-CB 3.42Å; R509-E513 PolarHBondContact O-N 3.2Å
510K89.1Confident83Confident152 Ų15299.4 Ų99.466%0.66146%0.464SS*.Hα-helixtrans-63.7-39.5178.6-175.9172.81801750112.4I506 Q507 L508 Q514I506-K510 WeakPolarHBondContact O-CB 3.32Å; I506-K510 PolarHBondContact O-N 3.43Å; Q507-K510 PolarHBondContact O-N 2.91Å; L508-K510 PolarHBondContact O-N 3.47Å; K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 2.97Å
511V84Confident81.4Confident101 Ų101103.3 Ų103.361%0.61248%0.482SS*.Hα-helixtrans-72.8-40.1177.2174.40000111.6Q507 L508 R509 R515Q507-V511 WeakPolarHBondContact O-CG2 3.45Å; Q507-V511 PolarHBondContact O-N 3.13Å; L508-V511 PolarHBondContact O-N 2.87Å; R509-V511 PolarHBondContact O-N 3.22Å; V511-R515 WeakPolarHBondContact O-CB 3.28Å; V511-R515 PolarHBondContact O-N 3.05Å; V511-R515 VanDerWaalsContact O-N 3.07Å
512E83.2Confident79.3Confident82 Ų82111 Ų11138%0.38352%0.516SS..Hα-helixtrans-65.6-42174.2-179160.8-116.400111.5K99 L508 R509 R515 E516K99-E512 WeakPolarHBondContact CE-OE1 3.41Å; K99-E512 IonicContact NZ-OE1 2.75Å; K99-E512 PolarHBondContact NZ-OE1 2.99Å; L508-E512 WeakPolarHBondContact O-CB 3.47Å; L508-E512 PolarHBondContact O-N 3.48Å; R509-E512 PolarHBondContact O-N 3.34Å; E512-R515 PolarHBondContact O-N 3.44Å; E512-E516 WeakPolarHBondContact O-CB 3.16Å; E512-E516 PolarHBondContact O-N 2.89Å
513E83.9Confident77.5Confident97 Ų97118 Ų11845%0.45354%0.538SS..Hα-helixtrans-63.3-46.2175.2-177.1-178.4176.500111.7R509 R515 E516 Q517R509-E513 WeakPolarHBondContact O-CB 3.42Å; R509-E513 PolarHBondContact O-N 3.2Å; E513-R515 VanDerWaalsContact C-N 3.31Å; E513-R515 PolarHBondContact O-N 3.43Å; E513-E516 CarbonylContact O-C 3.59Å; E513-E516 PolarHBondContact O-N 3.44Å; E513-E516 VanDerWaalsContact O-N 3.12Å; E513-Q517 HydrophobicContact CG-CG 4.36Å; E513-Q517 WeakPolarHBondContact O-CG 3.48Å; E513-Q517 PolarHBondContact O-N 3.01Å; E513-Q517 PolarHBondContact OE1-NE2 3.43Å
514Q81.6Confident75.7Confident109 Ų109115.4 Ų115.451%0.50954%0.535SS..Hα-helixtrans-56.9-47.9175.6-179.1-177-26.600110.7K510 E516 Q517 E518K510-Q514 WeakPolarHBondContact O-CB 3.43Å; K510-Q514 PolarHBondContact O-N 2.97Å; Q514-E516 VanDerWaalsContact C-N 3.3Å; Q514-E516 PolarHBondContact O-N 3.14Å; Q514-Q517 PolarHBondContact O-N 2.84Å; Q514-E518 WeakPolarHBondContact CG-OE1 3.48Å; Q514-E518 PolarHBondContact NE2-OE1 3.25Å; Q514-E518 WeakPolarHBondContact O-CG 3.31Å; Q514-E518 PolarHBondContact O-N 2.88Å
515R78.6Confident74.3Confident193 Ų193112.2 Ų112.273%0.72853%0.528SS*.Hα-helixtrans-63.7-34.5177.1-172.6-179.2177.9-164.1-0.8112.5V511 E512 E513 A519V511-R515 WeakPolarHBondContact O-CB 3.28Å; V511-R515 PolarHBondContact O-N 3.05Å; V511-R515 VanDerWaalsContact O-N 3.07Å; E512-R515 PolarHBondContact O-N 3.44Å; E513-R515 VanDerWaalsContact C-N 3.31Å; E513-R515 PolarHBondContact O-N 3.43Å; R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 3.17Å
516E79.3Confident73.8Confident98 Ų98116.4 Ų116.446%0.45855%0.547SS..Hα-helixtrans-71.7-35.3175.1-161.2-173.4153.600111.6E512 E513 Q514 K520E512-E516 WeakPolarHBondContact O-CB 3.16Å; E512-E516 PolarHBondContact O-N 2.89Å; E513-E516 CarbonylContact O-C 3.59Å; E513-E516 PolarHBondContact O-N 3.44Å; E513-E516 VanDerWaalsContact O-N 3.12Å; Q514-E516 VanDerWaalsContact C-N 3.3Å; Q514-E516 PolarHBondContact O-N 3.14Å; E516-K520 HydrophobicContact CG-CD 4.17Å; E516-K520 WeakPolarHBondContact O-CB 3.09Å; E516-K520 WeakPolarHBondContact O-CD 3.32Å; E516-K520 WeakPolarHBondContact O-CG 3.35Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 WeakPolarHBondContact OE1-CE 3.39Å; E516-K520 IonicContact OE1-NZ 3.3Å; E516-K520 PolarHBondContact OE1-NZ 3.14Å
517Q71Confident73.9Confident114 Ų114113.6 Ų113.653%0.53353%0.533SS..Hα-helixtrans-66.9-41.9172.5-70.8-176.521.500111.2E513 Q514 K520 H521E513-Q517 HydrophobicContact CG-CG 4.36Å; E513-Q517 WeakPolarHBondContact O-CG 3.48Å; E513-Q517 PolarHBondContact O-N 3.01Å; E513-Q517 PolarHBondContact OE1-NE2 3.43Å; Q514-Q517 PolarHBondContact O-N 2.84Å; Q517-K520 PolarHBondContact O-N 3.44Å; Q517-H521 WeakPolarHBondContact O-CB 3.39Å; Q517-H521 PolarHBondContact O-N 3.44Å
518E70.3Confident74Confident109 Ų109109.8 Ų109.851%0.50952%0.518SS..Hα-helixtrans-60.1-50.3172.7-71.6164.4-172.500111.1Q514 K520 H521 E522Q514-E518 WeakPolarHBondContact CG-OE1 3.48Å; Q514-E518 PolarHBondContact NE2-OE1 3.25Å; Q514-E518 WeakPolarHBondContact O-CG 3.31Å; Q514-E518 PolarHBondContact O-N 2.88Å; E518-K520 VanDerWaalsContact C-N 3.34Å; E518-K520 PolarHBondContact O-N 3.15Å; E518-H521 WeakPolarHBondContact O-CB 3.41Å; E518-H521 PolarHBondContact O-N 2.9Å; E518-H521 VanDerWaalsContact O-N 3.09Å; E518-E522 PolarHBondContact O-N 2.94Å
519A67.1Low74.3Confident44 Ų44107.1 Ų107.136%0.36451%0.509SS..Hα-helixtrans-67.3-29.5176.700000113.7R515 R523R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 3.17Å; A519-R523 PolarHBondContact O-N 3.35Å; A519-R523 VanDerWaalsContact O-N 3.13Å
520K62.3Low74.5Confident119 Ų119101.3 Ų101.352%0.51749%0.493SS..Hα-helixtrans-72.9-28.8170.7-81.4167.4171.7165.70112.1E516 Q517 E518 V524E516-K520 HydrophobicContact CG-CD 4.17Å; E516-K520 WeakPolarHBondContact O-CB 3.09Å; E516-K520 WeakPolarHBondContact O-CD 3.32Å; E516-K520 WeakPolarHBondContact O-CG 3.35Å; E516-K520 PolarHBondContact O-N 2.89Å; E516-K520 WeakPolarHBondContact OE1-CE 3.39Å; E516-K520 IonicContact OE1-NZ 3.3Å; E516-K520 PolarHBondContact OE1-NZ 3.14Å; Q517-K520 PolarHBondContact O-N 3.44Å; E518-K520 VanDerWaalsContact C-N 3.34Å; E518-K520 PolarHBondContact O-N 3.15Å; K520-V524 WeakPolarHBondContact O-CG2 3.11Å
521H56.7Low74.7Confident146 Ų14694.4 Ų94.468%0.67646%0.464SS*.Hα-helixtrans-72.4-35.1172.8-168.2-72.8000111.5Q517 E518 V524Q517-H521 WeakPolarHBondContact O-CB 3.39Å; Q517-H521 PolarHBondContact O-N 3.44Å; E518-H521 WeakPolarHBondContact O-CB 3.41Å; E518-H521 PolarHBondContact O-N 2.9Å; E518-H521 VanDerWaalsContact O-N 3.09Å; H521-V524 VanDerWaalsContact O-CG2 3.29Å; H521-V524 WeakPolarHBondContact O-CG2 3.39Å
522E47.1Very low75.1Confident171 Ų17193 Ų9380%0.79945%0.452SS*.Hα-helixtrans-67-38171.9-172.1176.7-151.900112.2E518 V524E518-E522 PolarHBondContact O-N 2.94Å; E522-V524 PolarHBondContact O-N 3.37Å
523R52.9Low75.5Confident218 Ų21892.6 Ų92.682%0.82346%0.459SS*.THydrogen-bonded Turntrans-79.412.4178.8-151.8-174.9-64.9-170.5-1.3114.7A519A519-R523 PolarHBondContact O-N 3.35Å; A519-R523 VanDerWaalsContact O-N 3.13Å
524V53.1Low75.7Confident59 Ų5993.6 Ų93.636%0.35846%0.458SS..  trans-81.1133.1-178.6-177.90000111.4K520 H521 E522K520-V524 WeakPolarHBondContact O-CG2 3.11Å; H521-V524 VanDerWaalsContact O-CG2 3.29Å; H521-V524 WeakPolarHBondContact O-CG2 3.39Å; E522-V524 PolarHBondContact O-N 3.37Å
525G60.5Low76.1Confident24 Ų2490.7 Ų90.725%0.24744%0.443CS..SBendtrans162.4-54.1154.300000114.4R162R162-G525 VanDerWaalsContact CD-O 3.27Å; R162-G525 WeakPolarHBondContact CD-O 3.46Å
526N79.1Confident76.7Confident103 Ų10385.6 Ų85.655%0.55143%0.429SS*.SBendtrans-119.316.3-158.7-64.2-32000115F158 R162F158-N526 HydrophobicContact CE1-CB 4.13Å; F158-N526 HydrophobicContact CZ-CB 4.22Å; F158-N526 VanDerWaalsContact CZ-O 3.3Å; F158-N526 WeakPolarHBondContact CZ-O 3.22Å; R162-N526 WeakPolarHBondContact CD-OD1 3.48Å; R162-N526 PolarHBondContact NH1-OD1 3.47Å
527D90.1Very high77.2Confident49 Ų4983.3 Ų83.326%0.26243%0.427SS..  trans-102.2122.3-179.6177.484.7000111.3Q109 A529 T530 I531Q109-D527 PolarHBondContact NE2-OD1 2.91Å; Q109-D527 PolarHBondContact OE1-OD1 3.38Å; D527-A529 PolarHBondContact O-N 2.89Å; D527-A529 PolarHBondContact OD2-N 2.83Å; D527-T530 PolarHBondContact O-N 3.44Å; D527-T530 WeakPolarHBondContact OD2-CB 3.42Å; D527-T530 PolarHBondContact OD2-N 2.97Å; D527-T530 PolarHBondContact OD2-OG1 2.88Å; D527-I531 WeakPolarHBondContact O-CD1 3.36Å; D527-I531 VanDerWaalsContact O-CG1 3.27Å; D527-I531 WeakPolarHBondContact O-CG1 3.45Å; D527-I531 PolarHBondContact O-N 3.37Å
528V92.4Very high78Confident48 Ų4878.8 Ų78.829%0.29141%0.407SS..Hα-helixtrans-61.3-47.3-172.9173.80000111.3F158 W161 T530 I531 L532F158-V528 HydrophobicContact CD2-CG2 4.26Å; F158-V528 HydrophobicContact CE2-CG2 3.77Å; W161-V528 HydrophobicContact CH2-CB 4.19Å; W161-V528 HydrophobicContact CH2-CG1 3.77Å; W161-V528 HydrophobicContact CH2-CG2 4.35Å; W161-V528 HydrophobicContact CZ2-CG1 4.32Å; W161-V528 HydrophobicContact CZ3-CB 4.4Å; W161-V528 HydrophobicContact CZ3-CG1 4.33Å; W161-V528 HydrophobicContact CZ3-CG2 4.09Å; V528-T530 VanDerWaalsContact C-N 3.35Å; V528-T530 PolarHBondContact O-N 3.19Å; V528-I531 PolarHBondContact O-N 3.26Å; V528-L532 HydrophobicContact CG1-CD1 4.11Å; V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 2.91Å
529A91.8Very high78.5Confident33 Ų3377.2 Ų77.227%0.27340%0.4SS..Hα-helixtrans-63.2-40.1179.900000112.1D527 S533D527-A529 PolarHBondContact O-N 2.89Å; D527-A529 PolarHBondContact OD2-N 2.83Å; A529-S533 VanDerWaalsContact O-CB 3.28Å; A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 2.96Å; A529-S533 PolarHBondContact O-OG 3.47Å
530T91.1Very high78.8Confident58 Ų5882.9 Ų82.936%0.35641%0.413SS..Hα-helixtrans-67.2-41177.4-61.40000111.9D527 V528 R534D527-T530 PolarHBondContact O-N 3.44Å; D527-T530 WeakPolarHBondContact OD2-CB 3.42Å; D527-T530 PolarHBondContact OD2-N 2.97Å; D527-T530 PolarHBondContact OD2-OG1 2.88Å; V528-T530 VanDerWaalsContact C-N 3.35Å; V528-T530 PolarHBondContact O-N 3.19Å; T530-R534 WeakPolarHBondContact O-CB 3.39Å; T530-R534 WeakPolarHBondContact O-CD 3.39Å; T530-R534 VanDerWaalsContact O-CG 3.22Å; T530-R534 WeakPolarHBondContact O-CG 3.38Å; T530-R534 PolarHBondContact O-N 2.96Å
531I91.9Very high78.9Confident7 Ų780.8 Ų80.84%0.03641%0.413CS..Hα-helixtrans-63-48176.5-69.7158.8000110.3F158 W161 R162 M165 L166 D527 V528 R534 R535F158-I531 HydrophobicContact CE2-CD1 4.37Å; F158-I531 HydrophobicContact CZ-CD1 4.06Å; W161-I531 HydrophobicContact CH2-CB 3.82Å; W161-I531 HydrophobicContact CH2-CD1 4.15Å; W161-I531 HydrophobicContact CH2-CG2 3.6Å; W161-I531 HydrophobicContact CZ2-CG2 4.22Å; W161-I531 HydrophobicContact CZ3-CB 4.15Å; W161-I531 HydrophobicContact CZ3-CD1 3.58Å; W161-I531 HydrophobicContact CZ3-CG1 4.49Å; W161-I531 HydrophobicContact CZ3-CG2 3.96Å; R162-I531 HydrophobicContact CB-CD1 4.31Å; R162-I531 HydrophobicContact CG-CD1 3.9Å; M165-I531 HydrophobicContact CB-CG2 3.45Å; M165-I531 VanDerWaalsContact CB-CG2 3.45Å; M165-I531 HydrophobicContact CG-CG2 3.97Å; L166-I531 HydrophobicContact CD1-CG1 4.41Å; L166-I531 HydrophobicContact CD1-CG2 4.29Å; D527-I531 WeakPolarHBondContact O-CD1 3.36Å; D527-I531 VanDerWaalsContact O-CG1 3.27Å; D527-I531 WeakPolarHBondContact O-CG1 3.45Å; D527-I531 PolarHBondContact O-N 3.37Å; V528-I531 PolarHBondContact O-N 3.26Å; I531-R534 PolarHBondContact O-N 3.36Å; I531-R535 PolarHBondContact O-N 3.24Å; I531-R535 VanDerWaalsContact O-N 3.07Å
532L93.2Very high78.6Confident71 Ų7176.4 Ų76.437%0.37240%0.395SS..Hα-helixtrans-64.3-43.9177-71.4171.7000112.2W161 M165 V528 R534 R535 I536W161-L532 HydrophobicContact CH2-CG 4.24Å; W161-L532 HydrophobicContact CZ2-CD1 4.42Å; W161-L532 HydrophobicContact CZ2-CD2 3.92Å; W161-L532 HydrophobicContact CZ2-CG 3.93Å; M165-L532 HydrophobicContact SD-CD2 4.4Å; V528-L532 HydrophobicContact CG1-CD1 4.11Å; V528-L532 WeakPolarHBondContact O-CG 3.38Å; V528-L532 PolarHBondContact O-N 2.91Å; L532-R534 VanDerWaalsContact C-N 3.26Å; L532-R534 PolarHBondContact O-N 2.98Å; L532-R535 WeakPolarHBondContact O-CB 3.39Å; L532-R535 PolarHBondContact O-N 2.95Å; L532-R535 VanDerWaalsContact O-N 3.13Å; L532-I536 WeakPolarHBondContact O-CG1 3.35Å; L532-I536 PolarHBondContact O-N 3.22Å
533S91.3Very high78.6Confident74 Ų7472.4 Ų72.452%0.51739%0.385SS..Hα-helixtrans-58.9-38.4176.7-59.60000112A529 A537A529-S533 VanDerWaalsContact O-CB 3.28Å; A529-S533 WeakPolarHBondContact O-CB 3.35Å; A529-S533 PolarHBondContact O-N 2.96Å; A529-S533 PolarHBondContact O-OG 3.47Å; S533-A537 VanDerWaalsContact O-CB 3.32Å; S533-A537 WeakPolarHBondContact O-CB 3.44Å; S533-A537 PolarHBondContact O-N 3.33Å
534R89.2Confident78.2Confident118 Ų11870.8 Ų70.845%0.44539%0.387SS..Hα-helixtrans-67.9-38.9175.6-75.7166.9172.8-110.3-16.1112.8T530 I531 L532 V538T530-R534 WeakPolarHBondContact O-CB 3.39Å; T530-R534 WeakPolarHBondContact O-CD 3.39Å; T530-R534 VanDerWaalsContact O-CG 3.22Å; T530-R534 WeakPolarHBondContact O-CG 3.38Å; T530-R534 PolarHBondContact O-N 2.96Å; I531-R534 PolarHBondContact O-N 3.36Å; L532-R534 VanDerWaalsContact C-N 3.26Å; L532-R534 PolarHBondContact O-N 2.98Å; R534-V538 PolarHBondContact O-N 3.39Å
535R90.1Very high77.7Confident49 Ų4974.8 Ų74.819%0.18541%0.407CS..Hα-helixtrans-60.3-54173.4169.958.6-168.6-159.72.3110.5D168 T169 I531 L532 A537 V538 E539D168-R535 PolarHBondContact O-NH1 2.83Å; T169-R535 VanDerWaalsContact OG1-CD 3.27Å; T169-R535 WeakPolarHBondContact OG1-CD 3.4Å; I531-R535 PolarHBondContact O-N 3.24Å; I531-R535 VanDerWaalsContact O-N 3.07Å; L532-R535 WeakPolarHBondContact O-CB 3.39Å; L532-R535 PolarHBondContact O-N 2.95Å; L532-R535 VanDerWaalsContact O-N 3.13Å; R535-A537 PolarHBondContact O-N 3.37Å; R535-V538 PolarHBondContact O-N 3.12Å; R535-E539 IonicContact CZ-OE1 2.79Å; R535-E539 IonicContact NE-OE1 3.09Å; R535-E539 PolarHBondContact NE-OE1 2.97Å; R535-E539 IonicContact NE-OE2 3.39Å; R535-E539 IonicContact NH2-OE1 3.94Å; R535-E539 PolarHBondContact NH2-OE1 3.46Å; R535-E539 PolarHBondContact O-N 2.93Å
536I90.7Very high77.1Confident86 Ų8680.7 Ų80.744%0.44143%0.428SS..Hα-helixtrans-59-47.6-178-68.2166.6000110.5L532 V538 E539 Y540L532-I536 WeakPolarHBondContact O-CG1 3.35Å; L532-I536 PolarHBondContact O-N 3.22Å; I536-V538 VanDerWaalsContact C-N 3.26Å; I536-V538 PolarHBondContact O-N 3.41Å; I536-E539 WeakPolarHBondContact O-CA 3.4Å; I536-E539 WeakPolarHBondContact O-CB 3.34Å; I536-E539 PolarHBondContact O-N 2.95Å; I536-Y540 HydrophobicContact CG2-CD2 3.63Å; I536-Y540 HydrophobicContact CG2-CE2 3.8Å; I536-Y540 WeakPolarHBondContact O-CD2 3.26Å; I536-Y540 PolarHBondContact O-N 3.16Å; I536-Y540 VanDerWaalsContact O-N 3.07Å
537A89.1Confident75.5Confident50 Ų5081.3 Ų81.341%0.41344%0.441SS..Hα-helixtrans-56.7-36179.300000113.5S533 R535 E539 S541S533-A537 VanDerWaalsContact O-CB 3.32Å; S533-A537 WeakPolarHBondContact O-CB 3.44Å; S533-A537 PolarHBondContact O-N 3.33Å; R535-A537 PolarHBondContact O-N 3.37Å; A537-E539 VanDerWaalsContact C-N 3.28Å; A537-E539 PolarHBondContact O-N 3.15Å; A537-S541 WeakPolarHBondContact O-CB 3.3Å; A537-S541 PolarHBondContact O-N 3.35Å; A537-S541 PolarHBondContact O-OG 2.94Å
538V87.4Confident73.4Confident18 Ų1887.6 Ų87.611%0.10947%0.468CS..Hα-helixtrans-69.2-26.6177.2168.20000112.6T169 K172 R173 R176 R534 R535 I536T169-V538 HydrophobicContact CG2-CB 4.14Å; T169-V538 HydrophobicContact CG2-CG1 4.45Å; T169-V538 HydrophobicContact CG2-CG2 3.74Å; K172-V538 HydrophobicContact CB-CG1 4.34Å; K172-V538 HydrophobicContact CG-CG1 4.11Å; R173-V538 HydrophobicContact CB-CG1 4.09Å; R176-V538 PolarHBondContact NH1-O 3.41Å; R176-V538 VanDerWaalsContact NH1-O 3.1Å; R534-V538 PolarHBondContact O-N 3.39Å; R535-V538 PolarHBondContact O-N 3.12Å; I536-V538 VanDerWaalsContact C-N 3.26Å; I536-V538 PolarHBondContact O-N 3.41Å
539E81.6Confident70.9Confident77 Ų7792.7 Ų92.736%0.3649%0.487SS..Hα-helixtrans-80.4-41.5177.2-62.1-175.9141.500112.6K172 R535 I536 A537K172-E539 HydrophobicContact CG-CG 4.23Å; R535-E539 IonicContact CZ-OE1 2.79Å; R535-E539 IonicContact NE-OE1 3.09Å; R535-E539 PolarHBondContact NE-OE1 2.97Å; R535-E539 IonicContact NE-OE2 3.39Å; R535-E539 IonicContact NH2-OE1 3.94Å; R535-E539 PolarHBondContact NH2-OE1 3.46Å; R535-E539 PolarHBondContact O-N 2.93Å; I536-E539 WeakPolarHBondContact O-CA 3.4Å; I536-E539 WeakPolarHBondContact O-CB 3.34Å; I536-E539 PolarHBondContact O-N 2.95Å; A537-E539 VanDerWaalsContact C-N 3.28Å; A537-E539 PolarHBondContact O-N 3.15Å
540Y73.1Confident68.5Low162 Ų16298.6 Ų98.664%0.63551%0.514SS*.Hα-helixtrans-84.3-13.8-176.3-78.5-92.4000114.9I536 D542 S543I536-Y540 HydrophobicContact CG2-CD2 3.63Å; I536-Y540 HydrophobicContact CG2-CE2 3.8Å; I536-Y540 WeakPolarHBondContact O-CD2 3.26Å; I536-Y540 PolarHBondContact O-N 3.16Å; I536-Y540 VanDerWaalsContact O-N 3.07Å; Y540-D542 PolarHBondContact O-N 3.42Å; Y540-S543 PolarHBondContact O-N 3.45Å; Y540-S543 PolarHBondContact O-OG 3.31Å
541S64.3Low66.5Low76 Ų76103.3 Ų103.353%0.53153%0.532SS..THydrogen-bonded Turntrans-73.946.9-179-58.60000114R176 A537R176-S541 PolarHBondContact NH1-O 2.89Å; R176-S541 VanDerWaalsContact NH1-O 3.09Å; R176-S541 PolarHBondContact NH2-O 3.41Å; A537-S541 WeakPolarHBondContact O-CB 3.3Å; A537-S541 PolarHBondContact O-N 3.35Å; A537-S541 PolarHBondContact O-OG 2.94Å
542D50.7Low64.2Low54 Ų54105.8 Ų105.829%0.28956%0.559SS.*THydrogen-bonded Turntrans-159.2-14.1174.4-114.41.4000114R176 K180 Y540 E544R176-D542 VanDerWaalsContact CZ-CG 3.46Å; R176-D542 IonicContact CZ-OD1 3.28Å; R176-D542 IonicContact CZ-OD2 2.8Å; R176-D542 IonicContact NE-OD2 3.85Å; R176-D542 PolarHBondContact NE-OD2 3.46Å; R176-D542 IonicContact NH2-OD1 3.36Å; R176-D542 PolarHBondContact NH2-OD1 3.4Å; R176-D542 IonicContact NH2-OD2 3Å; R176-D542 PolarHBondContact NH2-OD2 3.07Å; K180-D542 WeakPolarHBondContact CE-OD1 3.49Å; K180-D542 WeakPolarHBondContact CE-OD2 3.4Å; K180-D542 IonicContact NZ-OD1 2.68Å; K180-D542 PolarHBondContact NZ-OD1 2.7Å; K180-D542 IonicContact NZ-OD2 3.09Å; Y540-D542 PolarHBondContact O-N 3.42Å; D542-E544 VanDerWaalsContact C-N 3.33Å; D542-E544 PolarHBondContact O-N 2.77Å
543S48.2Very low61.8Low86 Ų86109.6 Ų109.660%0.60158%0.58SS**THydrogen-bonded Turntrans-85.67.6-167.858.80000116Y540Y540-S543 PolarHBondContact O-N 3.45Å; Y540-S543 PolarHBondContact O-OG 3.31Å
544E43.1Very low59.7Low184 Ų184118 Ų11886%0.8660%0.6SS**THydrogen-bonded Turntrans-122.33-176.5-61.9-172.613600113.2D542D542-E544 VanDerWaalsContact C-N 3.33Å; D542-E544 PolarHBondContact O-N 2.77Å
545D41.9Very low57.4Low144 Ų144121.3 Ų121.377%0.7762%0.623SS**SBendtrans-119.38.3-170.3-139.920.8000112.8
546E47.9Very low54.5Low147 Ų147131.9 Ų131.969%0.68768%0.675SS**SBendtrans-116.910.3-174.7-88.7-79.6148.800113.5
547S47.3Very low52.7Low117 Ų117134.2 Ų134.282%0.81869%0.686SS**SBendtrans-13528-178.680.70000115.2
548E45.3Very low50.8Low180 Ų180138.6 Ų138.684%0.84170%0.701SS**SBendtrans-106.2129.2163.4-168.4164.5-15400109.3
549F39.9Very low48.8Very low155 Ų155145.3 Ų145.368%0.6873%0.734SS**  trans72.467.6172.5-112.2-127.7000118.6E551F549-E551 HydrophobicContact CD1-CB 3.8Å; F549-E551 HydrophobicContact CD1-CG 4.31Å; F549-E551 HydrophobicContact CE1-CB 3.83Å; F549-E551 HydrophobicContact CE1-CG 3.8Å; F549-E551 VanDerWaalsContact CE1-OE1 3.25Å; F549-E551 WeakPolarHBondContact CE1-OE1 3.45Å; F549-E551 WeakPolarHBondContact CE1-OE2 3.32Å; F549-E551 HydrophobicContact CG-CB 4.42Å; F549-E551 HydrophobicContact CZ-CB 4.44Å; F549-E551 HydrophobicContact CZ-CG 4.15Å; F549-E551 WeakPolarHBondContact CZ-OE1 3.24Å; F549-E551 PolarHBondContact O-N 3.21Å
550D41.7Very low46.9Very low158 Ų158149.4 Ų149.485%0.84576%0.756SS**  trans-82.483.3144.3-169.113.1000109G552D550-G552 PolarHBondContact O-N 3.3Å
551E48.4Very low45.2Very low157 Ų157148.6 Ų148.673%0.73476%0.763SS**THydrogen-bonded Turntrans-79.655.8-179.5-163.1178.9-141.400111.1F549F549-E551 HydrophobicContact CD1-CB 3.8Å; F549-E551 HydrophobicContact CD1-CG 4.31Å; F549-E551 HydrophobicContact CE1-CB 3.83Å; F549-E551 HydrophobicContact CE1-CG 3.8Å; F549-E551 VanDerWaalsContact CE1-OE1 3.25Å; F549-E551 WeakPolarHBondContact CE1-OE1 3.45Å; F549-E551 WeakPolarHBondContact CE1-OE2 3.32Å; F549-E551 HydrophobicContact CG-CB 4.42Å; F549-E551 HydrophobicContact CZ-CB 4.44Å; F549-E551 HydrophobicContact CZ-CG 4.15Å; F549-E551 WeakPolarHBondContact CZ-OE1 3.24Å; F549-E551 PolarHBondContact O-N 3.21Å
552G43.8Very low43.9Very low59 Ų59153.4 Ų153.461%0.60878%0.779SS**THydrogen-bonded Turntrans-111-27.3-170.500000116.9D550D550-G552 PolarHBondContact O-N 3.3Å
553D41.8Very low43.5Very low151 Ų151160.5 Ų160.581%0.80781%0.814SS**  trans-123.740.2-155.6-153.934.8000114.5
554W47.8Very low43.1Very low250 Ų250166.2 Ų166.295%0.94783%0.83SS**  trans-125.636.4176.9-74.9108.8000113.4
555M40.3Very low43.1Very low188 Ų188164.8 Ų164.893%0.92683%0.827SS**  trans-141.372.2171.2-69.7-157.2-5300113.3
556E30.9Very low43.2Very low271 Ų271166.6 Ų166.6100%1.26683%0.833SS**  trans-138.90148.2-167.9160.6-137.800109.6

Retrieved 556 of 556 residues in 144.7 ms (Link to these results)

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