A0A3Q0KN32_SCHMA Loading...

Kinesin light chain

Kinesin is a microtubule-associated force-producing protein that play a role in organelle transport.

AlphaFold DB , UniProt , Accession A0A3Q0KN32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 649 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
1M50.1Low75.3Confident220 Ų22075 Ų75100%1.08442%0.415SS*.  076.30-81-108.3-109.500107E93M1-E93 WeakPolarHBondContact CA-OE1 3.48Å; M1-E93 PolarHBondContact N-OE1 3.27Å
2G63.9Low76.3Confident30 Ų3077.8 Ų77.831%0.30942%0.42SS..PPolyproline II helixtrans-75.4154.7-179.400000110.1P4 E93G2-P4 VanDerWaalsContact O-CD 3.3Å; G2-P4 WeakPolarHBondContact O-CD 3.19Å; G2-E93 WeakPolarHBondContact CA-OE1 3.34Å; G2-E93 VanDerWaalsContact CA-OE2 3.31Å; G2-E93 WeakPolarHBondContact CA-OE2 3.31Å; G2-E93 PolarHBondContact N-OE1 3.16Å
3M68.9Low77.3Confident49 Ų4980.1 Ų80.124%0.24143%0.426CS..PPolyproline II helixtrans-61120.3173.1-158.2176.686.700108.2S5 V7 K8 I11 A86M3-S5 PolarHBondContact O-N 3.05Å; M3-V7 HydrophobicContact CE-CB 4.21Å; M3-V7 HydrophobicContact CE-CG1 3.9Å; M3-V7 HydrophobicContact CG-CB 4.01Å; M3-V7 HydrophobicContact CG-CG1 3.89Å; M3-V7 HydrophobicContact SD-CG1 3.93Å; M3-K8 HydrophobicContact CE-CB 3.67Å; M3-K8 HydrophobicContact CE-CG 4.2Å; M3-I11 HydrophobicContact CE-CD1 3.63Å; M3-I11 HydrophobicContact SD-CD1 4.03Å; M3-A86 HydrophobicContact CE-CB 4.06Å; M3-A86 HydrophobicContact SD-CB 4.13Å
4P74.8Confident78Confident66 Ų6678 Ų7843%0.42943%0.426SS..PPolyproline II helixtrans-56.7142.8-174.9-26.334000111.5G2 H6 V7 K8G2-P4 VanDerWaalsContact O-CD 3.3Å; G2-P4 WeakPolarHBondContact O-CD 3.19Å; P4-H6 WeakPolarHBondContact CB-CE1 3.34Å; P4-H6 VanDerWaalsContact CB-ND1 3.28Å; P4-H6 WeakPolarHBondContact CB-ND1 3.37Å; P4-H6 PolarHBondContact O-N 2.78Å; P4-V7 HydrophobicContact CB-CG2 4.11Å; P4-V7 HydrophobicContact CG-CG2 4.18Å; P4-V7 WeakPolarHBondContact O-CA 3.45Å; P4-V7 WeakPolarHBondContact O-CB 3.43Å; P4-V7 PolarHBondContact O-N 3.28Å; P4-K8 PolarHBondContact O-N 3.47Å
5S76.4Confident78.8Confident65 Ų6576.1 Ų76.146%0.45541%0.413SS..Hα-helixtrans-54.7-33.2-176.455.40000113.4M3 K8 Q9M3-S5 PolarHBondContact O-N 3.05Å; S5-K8 PolarHBondContact O-N 3.47Å; S5-Q9 WeakPolarHBondContact O-CB 3.47Å; S5-Q9 PolarHBondContact O-N 3.04Å
6H80Confident79.5Confident105 Ų10578.4 Ų78.449%0.48642%0.424SS..Hα-helixtrans-64-40.3174.876.8-91.3000112.2P4 Q9 S10P4-H6 WeakPolarHBondContact CB-CE1 3.34Å; P4-H6 VanDerWaalsContact CB-ND1 3.28Å; P4-H6 WeakPolarHBondContact CB-ND1 3.37Å; P4-H6 PolarHBondContact O-N 2.78Å; H6-Q9 PolarHBondContact O-N 3Å; H6-S10 WeakPolarHBondContact O-CB 3.45Å; H6-S10 PolarHBondContact O-N 3.02Å; H6-S10 PolarHBondContact O-OG 3.14Å
7V80.7Confident80.2Confident46 Ų4679.5 Ų79.528%0.27943%0.434SS..Hα-helixtrans-65.6-43.1177.7-176.70000110.1M3 P4 Q9 S10 I11M3-V7 HydrophobicContact CE-CB 4.21Å; M3-V7 HydrophobicContact CE-CG1 3.9Å; M3-V7 HydrophobicContact CG-CB 4.01Å; M3-V7 HydrophobicContact CG-CG1 3.89Å; M3-V7 HydrophobicContact SD-CG1 3.93Å; P4-V7 HydrophobicContact CB-CG2 4.11Å; P4-V7 HydrophobicContact CG-CG2 4.18Å; P4-V7 WeakPolarHBondContact O-CA 3.45Å; P4-V7 WeakPolarHBondContact O-CB 3.43Å; P4-V7 PolarHBondContact O-N 3.28Å; V7-Q9 VanDerWaalsContact C-N 3.28Å; V7-Q9 PolarHBondContact O-N 3.42Å; V7-S10 PolarHBondContact O-N 3.2Å; V7-I11 HydrophobicContact CG1-CD1 4.02Å; V7-I11 HydrophobicContact CG1-CG1 4.43Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 3.07Å
8K80.1Confident80.8Confident47 Ų4777.8 Ų77.820%0.20442%0.424CS..Hα-helixtrans-61.5-39.6176.8-168177.7-172.1172.30111.6M3 P4 S5 K12 E90M3-K8 HydrophobicContact CE-CB 3.67Å; M3-K8 HydrophobicContact CE-CG 4.2Å; P4-K8 PolarHBondContact O-N 3.47Å; S5-K8 PolarHBondContact O-N 3.47Å; K8-K12 WeakPolarHBondContact O-CG 3.48Å; K8-K12 PolarHBondContact O-N 3.29Å; K8-K12 VanDerWaalsContact O-N 3.12Å; K8-E90 IonicContact NZ-OE1 2.78Å; K8-E90 PolarHBondContact NZ-OE1 3.47Å; K8-E90 IonicContact NZ-OE2 3.9Å; K8-E90 PolarHBondContact NZ-OE2 3.33Å
9Q83.9Confident81.4Confident100 Ų10078.1 Ų78.147%0.46742%0.422SS..Hα-helixtrans-70.4-41177.2-169.4169.4-200111.7S5 H6 V7 K12 Q13S5-Q9 WeakPolarHBondContact O-CB 3.47Å; S5-Q9 PolarHBondContact O-N 3.04Å; H6-Q9 PolarHBondContact O-N 3Å; V7-Q9 VanDerWaalsContact C-N 3.28Å; V7-Q9 PolarHBondContact O-N 3.42Å; Q9-K12 PolarHBondContact O-N 3.39Å; Q9-Q13 WeakPolarHBondContact O-CB 3.38Å; Q9-Q13 WeakPolarHBondContact O-CG 3.33Å; Q9-Q13 PolarHBondContact O-N 3.3Å
10S84.5Confident81.9Confident61 Ų6177.5 Ų77.543%0.42742%0.424SS..Hα-helixtrans-63-42.3175-62.40000112.3H6 V7 Q13 A14H6-S10 WeakPolarHBondContact O-CB 3.45Å; H6-S10 PolarHBondContact O-N 3.02Å; H6-S10 PolarHBondContact O-OG 3.14Å; V7-S10 PolarHBondContact O-N 3.2Å; S10-Q13 PolarHBondContact O-N 2.9Å; S10-A14 WeakPolarHBondContact O-CB 3.3Å; S10-A14 PolarHBondContact O-N 3.02Å
11I84.6Confident82.4Confident36 Ų3677.1 Ų77.119%0.18542%0.421CS..Hα-helixtrans-62.7-44.1175.7-67.5172.9000110.3M3 V7 Q13 A14 Q15 M82 I83M3-I11 HydrophobicContact CE-CD1 3.63Å; M3-I11 HydrophobicContact SD-CD1 4.03Å; V7-I11 HydrophobicContact CG1-CD1 4.02Å; V7-I11 HydrophobicContact CG1-CG1 4.43Å; V7-I11 WeakPolarHBondContact O-CG1 3.44Å; V7-I11 PolarHBondContact O-N 3.07Å; I11-Q13 PolarHBondContact O-N 3.34Å; I11-A14 PolarHBondContact O-N 3.36Å; I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 PolarHBondContact O-N 3.45Å; I11-M82 HydrophobicContact CD1-CB 4.2Å; I11-I83 HydrophobicContact CG2-CD1 4.21Å; I11-I83 HydrophobicContact CG2-CG1 4Å
12K87.4Confident84.4Confident108 Ų10869.1 Ų69.147%0.4738%0.38SS..Hα-helixtrans-63.2-39.4175.2-76.7-177.7175.6-169.40113K8 Q9 Q15 L16 I83K8-K12 WeakPolarHBondContact O-CG 3.48Å; K8-K12 PolarHBondContact O-N 3.29Å; K8-K12 VanDerWaalsContact O-N 3.12Å; Q9-K12 PolarHBondContact O-N 3.39Å; K12-Q15 PolarHBondContact O-N 3.09Å; K12-L16 WeakPolarHBondContact O-CG 3.34Å; K12-L16 PolarHBondContact O-N 3.38Å; K12-I83 HydrophobicContact CG-CD1 4.33Å
13Q89.2Confident85.7Confident108 Ų10873.1 Ų73.151%0.50539%0.391SS..Hα-helixtrans-66.1-43.3176-77.3178.1-2300111.3Q9 S10 I11 Q15 L16 V17Q9-Q13 WeakPolarHBondContact O-CB 3.38Å; Q9-Q13 WeakPolarHBondContact O-CG 3.33Å; Q9-Q13 PolarHBondContact O-N 3.3Å; S10-Q13 PolarHBondContact O-N 2.9Å; I11-Q13 PolarHBondContact O-N 3.34Å; Q13-Q15 VanDerWaalsContact C-N 3.32Å; Q13-Q15 PolarHBondContact O-N 3.27Å; Q13-L16 PolarHBondContact O-N 3.29Å; Q13-V17 WeakPolarHBondContact O-CG2 3.44Å; Q13-V17 PolarHBondContact O-N 2.97Å; Q13-V17 VanDerWaalsContact O-N 3.07Å
14A88Confident86.8Confident51 Ų5174.6 Ų74.642%0.42140%0.399SS..Hα-helixtrans-61.3-41.2174.800000111.6S10 I11 V17 L18S10-A14 WeakPolarHBondContact O-CB 3.3Å; S10-A14 PolarHBondContact O-N 3.02Å; I11-A14 PolarHBondContact O-N 3.36Å; A14-V17 PolarHBondContact O-N 2.98Å; A14-L18 WeakPolarHBondContact O-CB 3.25Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 2.68Å
15Q88.9Confident87.6Confident50 Ų5073.7 Ų73.723%0.23439%0.389CS..Hα-helixtrans-59.2-47.4175.2-171.6-174.5-16.600111.6I11 K12 Q13 V17 L18 E19 L76I11-Q15 WeakPolarHBondContact O-CB 3.36Å; I11-Q15 PolarHBondContact O-N 3.45Å; K12-Q15 PolarHBondContact O-N 3.09Å; Q13-Q15 VanDerWaalsContact C-N 3.32Å; Q13-Q15 PolarHBondContact O-N 3.27Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.89Å; Q15-L18 PolarHBondContact O-N 2.9Å; Q15-E19 WeakPolarHBondContact CG-OE1 3.47Å; Q15-E19 PolarHBondContact NE2-OE1 2.96Å; Q15-E19 WeakPolarHBondContact O-CB 3.23Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.4Å; Q15-L76 HydrophobicContact CG-CD2 3.89Å
16L90.1Very high88.3Confident112 Ų11274.6 Ų74.659%0.58639%0.387SS*.Hα-helixtrans-61.1-38.6177.2-72171.1000112.6K12 Q13 S20K12-L16 WeakPolarHBondContact O-CG 3.34Å; K12-L16 PolarHBondContact O-N 3.38Å; Q13-L16 PolarHBondContact O-N 3.29Å; L16-S20 PolarHBondContact O-N 3.38Å
17V91.9Very high88.9Confident98 Ų9875.4 Ų75.459%0.59439%0.391SS*.Hα-helixtrans-67.4-42.8176.2173.40000110.9Q13 A14 Q15 S20 L21Q13-V17 WeakPolarHBondContact O-CG2 3.44Å; Q13-V17 PolarHBondContact O-N 2.97Å; Q13-V17 VanDerWaalsContact O-N 3.07Å; A14-V17 PolarHBondContact O-N 2.98Å; Q15-V17 VanDerWaalsContact C-N 3.31Å; Q15-V17 PolarHBondContact O-N 2.89Å; V17-S20 PolarHBondContact O-N 2.98Å; V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 PolarHBondContact O-N 2.85Å
18L90.6Very high89.2Confident48 Ų4875 Ų7525%0.25139%0.392SS..Hα-helixtrans-65.9-38.1177.1-72.6173.9000112.2A14 Q15 L21 K22 I72 L76A14-L18 WeakPolarHBondContact O-CB 3.25Å; A14-L18 WeakPolarHBondContact O-CG 3.3Å; A14-L18 PolarHBondContact O-N 2.68Å; Q15-L18 PolarHBondContact O-N 2.9Å; L18-L21 PolarHBondContact O-N 3.47Å; L18-K22 VanDerWaalsContact O-CB 3.32Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.25Å; L18-I72 HydrophobicContact CB-CG2 4.22Å; L18-I72 HydrophobicContact CD2-CG2 4.21Å; L18-I72 WeakPolarHBondContact O-CG2 3.38Å; L18-L76 HydrophobicContact CB-CD2 3.69Å; L18-L76 HydrophobicContact CB-CG 4.08Å; L18-L76 HydrophobicContact CD1-CD2 4.45Å
19E91.8Very high89.6Confident84 Ų8474 Ų7439%0.39339%0.389SS..Hα-helixtrans-63.9-43.2174.2-75.1171.7-173.600111.7Q15 K22 H23 L76Q15-E19 WeakPolarHBondContact CG-OE1 3.47Å; Q15-E19 PolarHBondContact NE2-OE1 2.96Å; Q15-E19 WeakPolarHBondContact O-CB 3.23Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.4Å; E19-K22 WeakPolarHBondContact O-CB 3.49Å; E19-K22 PolarHBondContact O-N 3.16Å; E19-H23 PolarHBondContact O-N 2.93Å; E19-H23 VanDerWaalsContact O-N 3.08Å; E19-L76 HydrophobicContact CG-CD2 3.81Å
20S92.4Very high89.8Confident66 Ų6672.6 Ų72.646%0.46239%0.39SS..Hα-helixtrans-62.7-45.6173.5-171.10000111.4L16 V17 K22 H23 D24L16-S20 PolarHBondContact O-N 3.38Å; V17-S20 PolarHBondContact O-N 2.98Å; S20-K22 VanDerWaalsContact C-N 3.32Å; S20-K22 PolarHBondContact O-N 2.99Å; S20-H23 WeakPolarHBondContact O-CB 3.29Å; S20-H23 PolarHBondContact O-N 2.75Å; S20-D24 PolarHBondContact O-N 3.03Å
21L91.7Very high89.9Confident69 Ų6972.5 Ų72.536%0.36139%0.393SS..Hα-helixtrans-64.6-38.2-179.6-167.368.3000111.5V17 L18 D24 H25 I72V17-L21 WeakPolarHBondContact O-CB 3.34Å; V17-L21 PolarHBondContact O-N 2.85Å; L18-L21 PolarHBondContact O-N 3.47Å; L21-D24 PolarHBondContact O-N 3.17Å; L21-H25 VanDerWaalsContact CD1-CE1 3.49Å; L21-H25 WeakPolarHBondContact CD1-CE1 3.37Å; L21-H25 PolarHBondContact O-N 3.35Å; L21-H25 PolarHBondContact O-ND1 2.89Å; L21-I72 HydrophobicContact CB-CD1 4.33Å; L21-I72 HydrophobicContact CD2-CD1 3.68Å; L21-I72 HydrophobicContact CD2-CG1 4.16Å; L21-I72 HydrophobicContact CG-CD1 3.79Å
22K92.2Very high89.9Confident52 Ų5272 Ų7223%0.22639%0.391CS..Hα-helixtrans-57.3-50.4172.1-179.4177.6173.9162.50110.4L18 E19 S20 D24 H25 E26 L69 I72 E73 L76L18-K22 VanDerWaalsContact O-CB 3.32Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-K22 PolarHBondContact O-N 3.25Å; E19-K22 WeakPolarHBondContact O-CB 3.49Å; E19-K22 PolarHBondContact O-N 3.16Å; S20-K22 VanDerWaalsContact C-N 3.32Å; S20-K22 PolarHBondContact O-N 2.99Å; K22-D24 PolarHBondContact O-N 3.44Å; K22-H25 PolarHBondContact O-N 3.26Å; K22-E26 WeakPolarHBondContact CE-OE1 3.3Å; K22-E26 HydrophobicContact CG-CG 4.43Å; K22-E26 IonicContact NZ-OE1 2.76Å; K22-E26 WeakPolarHBondContact O-CB 3.49Å; K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 3.49Å; K22-L69 HydrophobicContact CG-CD2 4.01Å; K22-I72 HydrophobicContact CB-CG2 3.9Å; K22-E73 HydrophobicContact CD-CG 4.45Å; K22-E73 IonicContact NZ-OE1 2.85Å; K22-E73 PolarHBondContact NZ-OE1 2.86Å; K22-L76 HydrophobicContact CD-CD1 4.02Å
23H92.4Very high89.5Confident114 Ų11469.2 Ų69.253%0.52839%0.385SS..Hα-helixtrans-59.1-44.6179.1-173.763.1000112.4E19 S20 H25 E26 Q27E19-H23 PolarHBondContact O-N 2.93Å; E19-H23 VanDerWaalsContact O-N 3.08Å; S20-H23 WeakPolarHBondContact O-CB 3.29Å; S20-H23 PolarHBondContact O-N 2.75Å; H23-H25 PolarHBondContact O-N 3.4Å; H23-E26 PolarHBondContact O-N 3.31Å; H23-Q27 WeakPolarHBondContact O-CB 3.43Å; H23-Q27 PolarHBondContact O-N 3.47Å
24D91.9Very high89.2Confident80 Ų8068.1 Ų68.143%0.42839%0.386SS..Hα-helixtrans-62.6-41.3178.1-65.5-19.2000111.9S20 L21 K22 Q27 A28S20-D24 PolarHBondContact O-N 3.03Å; L21-D24 PolarHBondContact O-N 3.17Å; K22-D24 PolarHBondContact O-N 3.44Å; D24-Q27 PolarHBondContact O-N 3.26Å; D24-A28 WeakPolarHBondContact O-CB 3.46Å; D24-A28 PolarHBondContact O-N 3.35Å
25H91Very high88.8Confident47 Ų4769.3 Ų69.322%0.21838%0.381CS..Hα-helixtrans-70.9-36178.1-75.765.1000112.3L21 K22 H23 A28 L29 I65 L69L21-H25 VanDerWaalsContact CD1-CE1 3.49Å; L21-H25 WeakPolarHBondContact CD1-CE1 3.37Å; L21-H25 PolarHBondContact O-N 3.35Å; L21-H25 PolarHBondContact O-ND1 2.89Å; K22-H25 PolarHBondContact O-N 3.26Å; H23-H25 PolarHBondContact O-N 3.4Å; H25-A28 PolarHBondContact O-N 2.94Å; H25-L29 WeakPolarHBondContact O-CB 2.88Å; H25-L29 PolarHBondContact O-N 2.95Å; H25-I65 HydrophobicContact CB-CG2 3.94Å; H25-L69 HydrophobicContact CB-CD2 3.5Å; H25-L69 VanDerWaalsContact CB-CD2 3.5Å; H25-L69 HydrophobicContact CB-CG 3.86Å
26E91.6Very high88Confident85 Ų8568.7 Ų68.740%0.39738%0.382SS..Hα-helixtrans-64.2-43.4172.2-75.3175.1168.600111.5K22 H23 L29 S30 L69K22-E26 WeakPolarHBondContact CE-OE1 3.3Å; K22-E26 HydrophobicContact CG-CG 4.43Å; K22-E26 IonicContact NZ-OE1 2.76Å; K22-E26 WeakPolarHBondContact O-CB 3.49Å; K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 3.49Å; H23-E26 PolarHBondContact O-N 3.31Å; E26-L29 PolarHBondContact O-N 2.91Å; E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.3Å; E26-L69 HydrophobicContact CG-CD1 4.13Å; E26-L69 HydrophobicContact CG-CD2 4.21Å
27Q91.3Very high87.1Confident122 Ų12270 Ų7057%0.5739%0.389SS*.Hα-helixtrans-64.4-42.7175.8-170.4179.79.600111.3H23 D24 L29 S30 A31H23-Q27 WeakPolarHBondContact O-CB 3.43Å; H23-Q27 PolarHBondContact O-N 3.47Å; D24-Q27 PolarHBondContact O-N 3.26Å; Q27-L29 PolarHBondContact O-N 3.46Å; Q27-S30 PolarHBondContact O-N 2.9Å; Q27-A31 WeakPolarHBondContact O-CB 3.37Å; Q27-A31 PolarHBondContact O-N 3.33Å
28A88.7Confident85.6Confident38 Ų3868.1 Ų68.131%0.31438%0.381SS..Hα-helixtrans-62.5-40.8175.600000112.1D24 H25 A31 L32 I65D24-A28 WeakPolarHBondContact O-CB 3.46Å; D24-A28 PolarHBondContact O-N 3.35Å; H25-A28 PolarHBondContact O-N 2.94Å; A28-A31 PolarHBondContact O-N 3.02Å; A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.41Å; A28-L32 PolarHBondContact O-N 3.33Å; A28-I65 HydrophobicContact CB-CD1 4.48Å
29L88.5Confident83.8Confident26 Ų2671.2 Ų71.214%0.13639%0.394CS..Hα-helixtrans-65.5-40.5173.6-83.7170.2000112.5H25 E26 Q27 A31 L32 S33 I62 I65 Q66 L69H25-L29 WeakPolarHBondContact O-CB 2.88Å; H25-L29 PolarHBondContact O-N 2.95Å; E26-L29 PolarHBondContact O-N 2.91Å; Q27-L29 PolarHBondContact O-N 3.46Å; L29-A31 VanDerWaalsContact C-N 3.34Å; L29-L32 PolarHBondContact O-N 3.45Å; L29-S33 VanDerWaalsContact O-CB 3.25Å; L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.45Å; L29-S33 PolarHBondContact O-OG 2.9Å; L29-I62 HydrophobicContact CD2-CB 4.4Å; L29-I62 HydrophobicContact CD2-CG1 4.48Å; L29-I62 HydrophobicContact CD2-CG2 3.98Å; L29-I65 HydrophobicContact CD1-CB 4.45Å; L29-I65 HydrophobicContact CD1-CG2 3.83Å; L29-I65 HydrophobicContact CD2-CB 4.01Å; L29-I65 HydrophobicContact CD2-CG2 4.09Å; L29-I65 HydrophobicContact CG-CB 4.05Å; L29-I65 HydrophobicContact CG-CG2 3.54Å; L29-Q66 HydrophobicContact CD1-CG 3.97Å; L29-Q66 HydrophobicContact CD2-CG 4.09Å; L29-L69 HydrophobicContact CD1-CD1 3.35Å; L29-L69 HydrophobicContact CD1-CG 4.35Å
30S87.6Confident81.7Confident69 Ų6975.8 Ų75.848%0.48342%0.421SS..Hα-helixtrans-62.1-42.9175.1-177.10000111.2E26 Q27 S33 T34E26-S30 WeakPolarHBondContact O-CB 3.34Å; E26-S30 PolarHBondContact O-N 3.3Å; Q27-S30 PolarHBondContact O-N 2.9Å; S30-S33 WeakPolarHBondContact CA-OG 3.44Å; S30-S33 PolarHBondContact O-OG 3.25Å; S30-T34 WeakPolarHBondContact O-CB 3.5Å; S30-T34 PolarHBondContact O-N 3.02Å; S30-T34 PolarHBondContact O-OG1 2.88Å
31A86.1Confident79.3Confident60 Ų6077.1 Ų77.150%0.49643%0.43SS..Hα-helixtrans-65.2-46.5176.500000112.4Q27 A28 L29 T34 F35Q27-A31 WeakPolarHBondContact O-CB 3.37Å; Q27-A31 PolarHBondContact O-N 3.33Å; A28-A31 PolarHBondContact O-N 3.02Å; L29-A31 VanDerWaalsContact C-N 3.34Å; A31-T34 PolarHBondContact O-N 3.17Å; A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 2.91Å
32L83.7Confident77.1Confident26 Ų2682.3 Ų82.314%0.13645%0.453CS..Hα-helixtrans-66.4-41.5179-73.9167.5000112.3A28 L29 F35 C36 N58 K61 I62 I65A28-L32 WeakPolarHBondContact O-CB 3.49Å; A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.41Å; A28-L32 PolarHBondContact O-N 3.33Å; L29-L32 PolarHBondContact O-N 3.45Å; L32-F35 PolarHBondContact O-N 3.28Å; L32-C36 WeakPolarHBondContact O-CB 3.4Å; L32-C36 PolarHBondContact O-N 3.5Å; L32-C36 PolarHBondContact O-SG 2.94Å; L32-N58 HydrophobicContact CD2-CB 3.84Å; L32-K61 HydrophobicContact CD1-CB 4.27Å; L32-I62 HydrophobicContact CB-CG1 4.36Å; L32-I65 HydrophobicContact CD1-CD1 3.31Å
33S80.9Confident74.4Confident49 Ų4985.3 Ų85.334%0.34348%0.48SS..Hα-helixtrans-65.8-38.6175.856.90000111.9L29 S30 N37L29-S33 VanDerWaalsContact O-CB 3.25Å; L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 3.45Å; L29-S33 PolarHBondContact O-OG 2.9Å; S30-S33 WeakPolarHBondContact CA-OG 3.44Å; S30-S33 PolarHBondContact O-OG 3.25Å; S33-N37 WeakPolarHBondContact O-CB 3.35Å; S33-N37 PolarHBondContact O-N 3.28Å; S33-N37 VanDerWaalsContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 2.98Å
34T82.8Confident71.9Confident85 Ų8584 Ų8452%0.52148%0.483SS..Hα-helixtrans-62.8-43.8173.9-54.70000111.1S30 A31 N37 S38S30-T34 WeakPolarHBondContact O-CB 3.5Å; S30-T34 PolarHBondContact O-N 3.02Å; S30-T34 PolarHBondContact O-OG1 2.88Å; A31-T34 PolarHBondContact O-N 3.17Å; T34-N37 PolarHBondContact O-N 2.9Å; T34-S38 WeakPolarHBondContact O-CB 3.48Å; T34-S38 PolarHBondContact O-N 3.43Å; T34-S38 PolarHBondContact O-OG 2.89Å
35F78.2Confident69.7Low76 Ų7685.2 Ų85.233%0.33350%0.496SS..Hα-helixtrans-65-43.4178-175-93.7000112.9A31 L32 N37 S38 K55 N58A31-F35 WeakPolarHBondContact O-CB 3.32Å; A31-F35 PolarHBondContact O-N 2.91Å; L32-F35 PolarHBondContact O-N 3.28Å; F35-N37 PolarHBondContact O-N 3.11Å; F35-S38 WeakPolarHBondContact CA-OG 3.48Å; F35-S38 PolarHBondContact O-N 3.42Å; F35-S38 PolarHBondContact O-OG 3.37Å; F35-K55 HydrophobicContact CE1-CG 4.25Å; F35-N58 WeakPolarHBondContact CE1-ND2 3.49Å
36C72.7Confident67.5Low37 Ų3790.4 Ų90.425%0.2553%0.525CS..Hα-helixtrans-66.9-25.9177.1-68.60000112.6L32L32-C36 WeakPolarHBondContact O-CB 3.4Å; L32-C36 PolarHBondContact O-N 3.5Å; L32-C36 PolarHBondContact O-SG 2.94Å
37N70.3Confident65.4Low138 Ų13893.2 Ų93.274%0.73854%0.543SS*.Hα-helixtrans-90.7-12.8178.4-66.9-22000113.5S33 T34 F35 E39S33-N37 WeakPolarHBondContact O-CB 3.35Å; S33-N37 PolarHBondContact O-N 3.28Å; S33-N37 VanDerWaalsContact O-N 3.09Å; S33-N37 PolarHBondContact O-ND2 2.98Å; T34-N37 PolarHBondContact O-N 2.9Å; F35-N37 PolarHBondContact O-N 3.11Å; N37-E39 PolarHBondContact O-N 3.18Å
38S61.3Low63.7Low60 Ų6091 Ų9142%0.4254%0.535SS..  trans-9491.6179.759.60000110.8T34 F35T34-S38 WeakPolarHBondContact O-CB 3.48Å; T34-S38 PolarHBondContact O-N 3.43Å; T34-S38 PolarHBondContact O-OG 2.89Å; F35-S38 WeakPolarHBondContact CA-OG 3.48Å; F35-S38 PolarHBondContact O-N 3.42Å; F35-S38 PolarHBondContact O-OG 3.37Å
39E53.3Low62Low113 Ų11394.7 Ų94.753%0.52855%0.553SS.*  trans160.7101.9145.7-92.9176.2179.600111.3N37 L51 K55N37-E39 PolarHBondContact O-N 3.18Å; E39-L51 WeakPolarHBondContact OE2-CD2 3.34Å; E39-K55 IonicContact OE2-NZ 3.7Å; E39-K55 PolarHBondContact OE2-NZ 3.43Å
40D48.1Very low60.5Low179 Ų17997.4 Ų97.496%0.95757%0.574SS**  trans-133.820.5162.8-93.2-30.7000111.3
41S40.8Very low59.1Low94 Ų9496.8 Ų96.866%0.65757%0.565SS**SBendtrans-136.9117.7179.2560000112.7
42H46Very low57.8Low179 Ų17999.4 Ų99.483%0.82957%0.567SS**  trans97.891.6171.1-56.8-62.6000118.2
43S34.6Very low56.7Low114 Ų114102.4 Ų102.480%0.79759%0.589SS**  trans-44.5118.9162.352.50000115
44S40.2Very low55.9Low86 Ų86104.7 Ų104.760%0.60160%0.595SS**  trans-145.1101.4158.8-63.20000108.7N46 N48S44-N46 VanDerWaalsContact C-N 3.28Å; S44-N46 PolarHBondContact O-N 3.08Å; S44-N48 PolarHBondContact O-OD1 3.45Å
45P45.7Very low55.2Low107 Ų107103 Ų10370%0.69558%0.58SS**THydrogen-bonded Turntrans-75.33.3-160.4-15.329.3000117.3
46N45.4Very low54.8Low155 Ų155103.4 Ų103.483%0.82959%0.589SS**THydrogen-bonded Turntrans-113.99.3-164.3-78.7-14.4000115.7S44S44-N46 VanDerWaalsContact C-N 3.28Å; S44-N46 PolarHBondContact O-N 3.08Å
47L48.3Very low54.8Low145 Ų145107.3 Ų107.376%0.75960%0.602SS**SBendtrans-131.215.3173-124.385.1000113.4T49L47-T49 PolarHBondContact O-N 2.84Å
48N53.7Low55.1Low76 Ų76101.8 Ų101.841%0.40657%0.572SS.*Hα-helixtrans-74.6-26.6-165.7-74.1-2.1000114.9S44 S50 L51 E52S44-N48 PolarHBondContact O-OD1 3.45Å; N48-S50 PolarHBondContact O-N 2.86Å; N48-L51 PolarHBondContact O-N 3.28Å; N48-E52 WeakPolarHBondContact O-CB 3.35Å; N48-E52 WeakPolarHBondContact O-CG 3.36Å; N48-E52 PolarHBondContact O-N 3.45Å
49T53.6Low55.8Low115 Ų115105 Ų10571%0.70658%0.58SS**Hα-helixtrans-69.8-31.4-176.137.80000113.9L47 C53L47-T49 PolarHBondContact O-N 2.84Å; T49-C53 WeakPolarHBondContact O-CB 3.48Å; T49-C53 PolarHBondContact O-N 2.78Å; T49-C53 PolarHBondContact O-SG 2.94Å; T49-C53 VanDerWaalsContact O-SG 3.39Å
50S56.6Low57.1Low82 Ų82105.6 Ų105.657%0.57358%0.583SS**Hα-helixtrans-75.8-38.9178.1-165.80000111.9N48 E54N48-S50 PolarHBondContact O-N 2.86Å; S50-E54 PolarHBondContact O-N 3.13Å; S50-E54 VanDerWaalsContact O-N 3.14Å
51L58.1Low58.8Low56 Ų56100.3 Ų100.329%0.29355%0.552SS.*Hα-helixtrans-77.2-34.9-176.7-160.769000111.9E39 N48 E54 K55E39-L51 WeakPolarHBondContact OE2-CD2 3.34Å; N48-L51 PolarHBondContact O-N 3.28Å; L51-E54 PolarHBondContact O-N 3.44Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.43Å
52E59Low60.9Low116 Ų11697.6 Ų97.654%0.54253%0.529SS..Hα-helixtrans-65.5-40.3170.8-76.9173.1167.800111.7N48 E54 K55 V56N48-E52 WeakPolarHBondContact O-CB 3.35Å; N48-E52 WeakPolarHBondContact O-CG 3.36Å; N48-E52 PolarHBondContact O-N 3.45Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.11Å; E52-K55 PolarHBondContact O-N 3.26Å; E52-V56 WeakPolarHBondContact O-CG2 3.48Å; E52-V56 PolarHBondContact O-N 2.99Å
53C61.1Low62.9Low88 Ų8892.4 Ų92.460%0.59551%0.511SS*.Hα-helixtrans-61.4-39.9173.3-82.60000112.6T49 F57T49-C53 WeakPolarHBondContact O-CB 3.48Å; T49-C53 PolarHBondContact O-N 2.78Å; T49-C53 PolarHBondContact O-SG 2.94Å; T49-C53 VanDerWaalsContact O-SG 3.39Å; C53-F57 VanDerWaalsContact O-CB 3.3Å; C53-F57 WeakPolarHBondContact O-CB 3.39Å; C53-F57 PolarHBondContact O-N 3.15Å
54E64.1Low65.5Low98 Ų9892.6 Ų92.646%0.45850%0.502SS..Hα-helixtrans-66.9-38.4175.4-82.6-174.8159.300112.7S50 L51 E52 N58S50-E54 PolarHBondContact O-N 3.13Å; S50-E54 VanDerWaalsContact O-N 3.14Å; L51-E54 PolarHBondContact O-N 3.44Å; E52-E54 VanDerWaalsContact C-N 3.34Å; E52-E54 PolarHBondContact O-N 3.11Å; E54-N58 VanDerWaalsContact O-CB 3.3Å; E54-N58 WeakPolarHBondContact O-CB 3.46Å; E54-N58 VanDerWaalsContact O-CG 3.26Å; E54-N58 PolarHBondContact O-N 2.89Å; E54-N58 PolarHBondContact O-ND2 3.49Å; E54-N58 VanDerWaalsContact O-ND2 3.16Å
55K68Low67.8Low50 Ų5089.8 Ų89.822%0.21748%0.48CS..Hα-helixtrans-63.5-46.6174.7-74.8-180-175.1171.90111.6F35 E39 L51 E52 N58 Q59F35-K55 HydrophobicContact CE1-CG 4.25Å; E39-K55 IonicContact OE2-NZ 3.7Å; E39-K55 PolarHBondContact OE2-NZ 3.43Å; L51-K55 WeakPolarHBondContact O-CG 3.42Å; L51-K55 PolarHBondContact O-N 3.43Å; E52-K55 PolarHBondContact O-N 3.26Å; K55-N58 PolarHBondContact O-N 2.86Å; K55-Q59 WeakPolarHBondContact O-CB 3.5Å; K55-Q59 PolarHBondContact O-N 3.38Å
56V71.1Confident69.9Low84 Ų8489.5 Ų89.551%0.50947%0.469SS..Hα-helixtrans-62-45.7177.1174.30000111E52 N58 Q59 E60E52-V56 WeakPolarHBondContact O-CG2 3.48Å; E52-V56 PolarHBondContact O-N 2.99Å; V56-N58 VanDerWaalsContact C-N 3.33Å; V56-N58 PolarHBondContact O-N 2.9Å; V56-Q59 WeakPolarHBondContact O-CB 3.4Å; V56-Q59 PolarHBondContact O-N 3.17Å; V56-Q59 VanDerWaalsContact O-N 3.17Å; V56-E60 PolarHBondContact O-N 2.97Å
57F72.6Confident72.1Confident119 Ų11984.8 Ų84.852%0.52245%0.452SS..Hα-helixtrans-62.2-39.2177.8-178-120.8000112.6C53 E60 K61C53-F57 VanDerWaalsContact O-CB 3.3Å; C53-F57 WeakPolarHBondContact O-CB 3.39Å; C53-F57 PolarHBondContact O-N 3.15Å; F57-E60 PolarHBondContact O-N 3.4Å; F57-K61 HydrophobicContact CE1-CD 4.48Å; F57-K61 WeakPolarHBondContact O-CG 3.46Å; F57-K61 PolarHBondContact O-N 3.05Å
58N75.3Confident74.1Confident21 Ų2179.4 Ų79.411%0.11243%0.428CS..Hα-helixtrans-72.2-31176.2-74-28.8000112.4L32 F35 E54 K55 V56 K61 I62L32-N58 HydrophobicContact CD2-CB 3.84Å; F35-N58 WeakPolarHBondContact CE1-ND2 3.49Å; E54-N58 VanDerWaalsContact O-CB 3.3Å; E54-N58 WeakPolarHBondContact O-CB 3.46Å; E54-N58 VanDerWaalsContact O-CG 3.26Å; E54-N58 PolarHBondContact O-N 2.89Å; E54-N58 PolarHBondContact O-ND2 3.49Å; E54-N58 VanDerWaalsContact O-ND2 3.16Å; K55-N58 PolarHBondContact O-N 2.86Å; V56-N58 VanDerWaalsContact C-N 3.33Å; V56-N58 PolarHBondContact O-N 2.9Å; N58-K61 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact OD1-NZ 3.12Å; N58-I62 PolarHBondContact O-N 2.93Å
59Q76.9Confident75.9Confident128 Ų12876.7 Ų76.760%0.59841%0.414SS*.Hα-helixtrans-68.6-33.3174.5-155.9162.516.200112.3K55 V56 K61 P63K55-Q59 WeakPolarHBondContact O-CB 3.5Å; K55-Q59 PolarHBondContact O-N 3.38Å; V56-Q59 WeakPolarHBondContact O-CB 3.4Å; V56-Q59 PolarHBondContact O-N 3.17Å; V56-Q59 VanDerWaalsContact O-N 3.17Å; Q59-K61 VanDerWaalsContact C-N 3.34Å; Q59-P63 VanDerWaalsContact O-CD 3.23Å; Q59-P63 WeakPolarHBondContact O-CD 3.39Å
60E80.1Confident77.7Confident125 Ų12578.4 Ų78.458%0.58441%0.412SS*.Hα-helixtrans-69.7-26.8171.8-71.4-173.1167.200113.5V56 F57 P63V56-E60 PolarHBondContact O-N 2.97Å; F57-E60 PolarHBondContact O-N 3.4Å; E60-P63 VanDerWaalsContact O-CD 3.3Å; E60-P63 WeakPolarHBondContact O-CD 3.49Å; E60-P63 VanDerWaalsContact O-CG 3.3Å; E60-P63 WeakPolarHBondContact O-CG 3.42Å
61K83.7Confident79.4Confident69 Ų6981 Ų8130%0.342%0.415SS..Hα-helixtrans-74.6-31177.9-71.2174.1-173.1166.50113.7L32 F57 N58 Q59 I64 I65L32-K61 HydrophobicContact CD1-CB 4.27Å; F57-K61 HydrophobicContact CE1-CD 4.48Å; F57-K61 WeakPolarHBondContact O-CG 3.46Å; F57-K61 PolarHBondContact O-N 3.05Å; N58-K61 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact OD1-NZ 3.12Å; Q59-K61 VanDerWaalsContact C-N 3.34Å; K61-I64 WeakPolarHBondContact O-CB 3.46Å; K61-I64 PolarHBondContact O-N 3.36Å; K61-I64 VanDerWaalsContact O-N 3.17Å; K61-I65 HydrophobicContact CB-CD1 4.48Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.01Å
62I84.4Confident81Confident36 Ų3678.9 Ų78.919%0.18540%0.404CS..Hα-helixtrans-53-53.1-179.4-67.4172000112.6L29 L32 N58 I64 I65 Q66L29-I62 HydrophobicContact CD2-CB 4.4Å; L29-I62 HydrophobicContact CD2-CG1 4.48Å; L29-I62 HydrophobicContact CD2-CG2 3.98Å; L32-I62 HydrophobicContact CB-CG1 4.36Å; N58-I62 PolarHBondContact O-N 2.93Å; I62-I64 VanDerWaalsContact C-N 3.27Å; I62-I64 PolarHBondContact O-N 3.02Å; I62-I65 PolarHBondContact O-N 3.48Å; I62-Q66 HydrophobicContact CG2-CG 4.43Å; I62-Q66 WeakPolarHBondContact O-CG 3.47Å; I62-Q66 PolarHBondContact O-N 3.07Å
63P88.5Confident82.5Confident70 Ų7077 Ų7746%0.45540%0.395SS..Hα-helixtrans-65.2-29.8-179.625.1-35.3000112.9Q59 E60 A67Q59-P63 VanDerWaalsContact O-CD 3.23Å; Q59-P63 WeakPolarHBondContact O-CD 3.39Å; E60-P63 VanDerWaalsContact O-CD 3.3Å; E60-P63 WeakPolarHBondContact O-CD 3.49Å; E60-P63 VanDerWaalsContact O-CG 3.3Å; E60-P63 WeakPolarHBondContact O-CG 3.42Å; P63-A67 VanDerWaalsContact O-CB 3.31Å; P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 2.88Å
64I89.4Confident84Confident118 Ų11878.9 Ų78.961%0.60539%0.393SS*.Hα-helixtrans-67.8-46.2177.1-59.4173.1000110.1K61 I62 A67 A68K61-I64 WeakPolarHBondContact O-CB 3.46Å; K61-I64 PolarHBondContact O-N 3.36Å; K61-I64 VanDerWaalsContact O-N 3.17Å; I62-I64 VanDerWaalsContact C-N 3.27Å; I62-I64 PolarHBondContact O-N 3.02Å; I64-A67 PolarHBondContact O-N 3.27Å; I64-A68 PolarHBondContact O-N 3.37Å
65I88.4Confident85.2Confident27 Ų2775.4 Ų75.414%0.13838%0.384CS..Hα-helixtrans-68.4-37.8178.9-59.7167.4000110.6H25 A28 L29 L32 K61 I62 A67 A68 L69H25-I65 HydrophobicContact CB-CG2 3.94Å; A28-I65 HydrophobicContact CB-CD1 4.48Å; L29-I65 HydrophobicContact CD1-CB 4.45Å; L29-I65 HydrophobicContact CD1-CG2 3.83Å; L29-I65 HydrophobicContact CD2-CB 4.01Å; L29-I65 HydrophobicContact CD2-CG2 4.09Å; L29-I65 HydrophobicContact CG-CB 4.05Å; L29-I65 HydrophobicContact CG-CG2 3.54Å; L32-I65 HydrophobicContact CD1-CD1 3.31Å; K61-I65 HydrophobicContact CB-CD1 4.48Å; K61-I65 WeakPolarHBondContact O-CG1 3.35Å; K61-I65 PolarHBondContact O-N 3.01Å; I62-I65 PolarHBondContact O-N 3.48Å; I65-A67 PolarHBondContact O-N 3.47Å; I65-A68 PolarHBondContact O-N 3.31Å; I65-L69 PolarHBondContact O-N 3.07Å
66Q90.1Very high86.3Confident101 Ų10174.2 Ų74.247%0.47238%0.379SS..Hα-helixtrans-63.5-38.8172.7-74.1179.3-12.300112.7L29 I62 L69 K70L29-Q66 HydrophobicContact CD1-CG 3.97Å; L29-Q66 HydrophobicContact CD2-CG 4.09Å; I62-Q66 HydrophobicContact CG2-CG 4.43Å; I62-Q66 WeakPolarHBondContact O-CG 3.47Å; I62-Q66 PolarHBondContact O-N 3.07Å; Q66-L69 PolarHBondContact O-N 3.14Å; Q66-K70 PolarHBondContact O-N 3.43Å; Q66-K70 VanDerWaalsContact O-N 3.11Å
67A91.5Very high87.3Confident56 Ų5675 Ų7546%0.46338%0.381SS..Hα-helixtrans-65.6-40.9174.400000111.5P63 I64 I65 K70 Q71P63-A67 VanDerWaalsContact O-CB 3.31Å; P63-A67 WeakPolarHBondContact O-CB 3.38Å; P63-A67 PolarHBondContact O-N 2.88Å; I64-A67 PolarHBondContact O-N 3.27Å; I65-A67 PolarHBondContact O-N 3.47Å; A67-K70 PolarHBondContact O-N 3.14Å; A67-Q71 WeakPolarHBondContact O-CG 3.4Å; A67-Q71 PolarHBondContact O-N 3.36Å
68A90.3Very high88.1Confident32 Ų3273.7 Ų73.726%0.26438%0.379SS..Hα-helixtrans-62.5-43.9174.200000111.9I64 I65 K70 Q71 I72I64-A68 PolarHBondContact O-N 3.37Å; I65-A68 PolarHBondContact O-N 3.31Å; A68-K70 PolarHBondContact O-N 3.03Å; A68-Q71 PolarHBondContact O-N 3.22Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 2.67Å
69L91Very high88.7Confident20 Ų2073.3 Ų73.311%0.10538%0.378CS..Hα-helixtrans-58.1-45.8175.5-83.4-176.1000112.5K22 H25 E26 L29 I65 Q66 Q71 I72 E73K22-L69 HydrophobicContact CG-CD2 4.01Å; H25-L69 HydrophobicContact CB-CD2 3.5Å; H25-L69 VanDerWaalsContact CB-CD2 3.5Å; H25-L69 HydrophobicContact CB-CG 3.86Å; E26-L69 HydrophobicContact CG-CD1 4.13Å; E26-L69 HydrophobicContact CG-CD2 4.21Å; L29-L69 HydrophobicContact CD1-CD1 3.35Å; L29-L69 HydrophobicContact CD1-CG 4.35Å; I65-L69 PolarHBondContact O-N 3.07Å; Q66-L69 PolarHBondContact O-N 3.14Å; L69-Q71 PolarHBondContact O-N 3.47Å; L69-I72 PolarHBondContact O-N 3.12Å; L69-I72 VanDerWaalsContact O-N 3.13Å; L69-E73 WeakPolarHBondContact O-CG 3.38Å; L69-E73 PolarHBondContact O-N 3.16Å
70K92.5Very high89.3Confident150 Ų15073 Ų7365%0.65238%0.377SS*.Hα-helixtrans-59.8-35.2177.1-74.7-177.5179.3-178.50112.8Q66 A67 A68 K74Q66-K70 PolarHBondContact O-N 3.43Å; Q66-K70 VanDerWaalsContact O-N 3.11Å; A67-K70 PolarHBondContact O-N 3.14Å; A68-K70 PolarHBondContact O-N 3.03Å; K70-K74 WeakPolarHBondContact O-CB 3.4Å; K70-K74 PolarHBondContact O-N 3.46Å; K70-K74 VanDerWaalsContact O-N 3.11Å
71Q91.1Very high89.8Confident136 Ų13671.1 Ų71.164%0.63637%0.374SS*.Hα-helixtrans-71.6-39.5176-66.5-63.2-2500111.8A67 A68 L69 K74 G75A67-Q71 WeakPolarHBondContact O-CG 3.4Å; A67-Q71 PolarHBondContact O-N 3.36Å; A68-Q71 PolarHBondContact O-N 3.22Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; L69-Q71 PolarHBondContact O-N 3.47Å; Q71-K74 PolarHBondContact O-N 3.28Å; Q71-G75 PolarHBondContact O-N 3.12Å
72I91.6Very high90Very high13 Ų1372.6 Ų72.67%0.06738%0.383CS..Hα-helixtrans-63.9-44.8175.8-65.9164.3000110.4L18 L21 K22 A68 L69 G75 L76L18-I72 HydrophobicContact CB-CG2 4.22Å; L18-I72 HydrophobicContact CD2-CG2 4.21Å; L18-I72 WeakPolarHBondContact O-CG2 3.38Å; L21-I72 HydrophobicContact CB-CD1 4.33Å; L21-I72 HydrophobicContact CD2-CD1 3.68Å; L21-I72 HydrophobicContact CD2-CG1 4.16Å; L21-I72 HydrophobicContact CG-CD1 3.79Å; K22-I72 HydrophobicContact CB-CG2 3.9Å; A68-I72 WeakPolarHBondContact O-CG1 3.4Å; A68-I72 PolarHBondContact O-N 2.67Å; L69-I72 PolarHBondContact O-N 3.12Å; L69-I72 VanDerWaalsContact O-N 3.13Å; I72-G75 PolarHBondContact O-N 3.27Å; I72-L76 HydrophobicContact CG2-CD1 4.17Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 2.86Å
73E91.4Very high90Very high77 Ų7771.9 Ų71.936%0.3638%0.379SS..Hα-helixtrans-61-45.3177-72.3-176.4149.400112.1K22 L69 G75 L76 D77K22-E73 HydrophobicContact CD-CG 4.45Å; K22-E73 IonicContact NZ-OE1 2.85Å; K22-E73 PolarHBondContact NZ-OE1 2.86Å; L69-E73 WeakPolarHBondContact O-CG 3.38Å; L69-E73 PolarHBondContact O-N 3.16Å; E73-G75 VanDerWaalsContact C-N 3.29Å; E73-G75 PolarHBondContact O-N 3.32Å; E73-L76 WeakPolarHBondContact O-CB 3.39Å; E73-L76 PolarHBondContact O-N 2.88Å; E73-L76 VanDerWaalsContact O-N 3.12Å; E73-D77 PolarHBondContact O-N 3.43Å
74K91.9Very high90Very high126 Ų12672 Ų7255%0.54838%0.379SS..Hα-helixtrans-59-41.3173.9-173.1-177.7176.9-173.30112.2K70 Q71 L76 D77 D78K70-K74 WeakPolarHBondContact O-CB 3.4Å; K70-K74 PolarHBondContact O-N 3.46Å; K70-K74 VanDerWaalsContact O-N 3.11Å; Q71-K74 PolarHBondContact O-N 3.28Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.41Å; K74-D77 PolarHBondContact O-N 3.02Å; K74-D78 PolarHBondContact O-N 3.47Å
75G90.2Very high90Very high26 Ų2672.1 Ų72.127%0.26838%0.375SS..Hα-helixtrans-65.3-33.5176.200000113.5Q71 I72 E73 S79Q71-G75 PolarHBondContact O-N 3.12Å; I72-G75 PolarHBondContact O-N 3.27Å; E73-G75 VanDerWaalsContact C-N 3.29Å; E73-G75 PolarHBondContact O-N 3.32Å; G75-S79 WeakPolarHBondContact O-CB 3.3Å; G75-S79 PolarHBondContact O-N 3.33Å; G75-S79 VanDerWaalsContact O-N 3.12Å
76L90.2Very high89.8Confident24 Ų2470.9 Ų70.913%0.12637%0.369CS..Hα-helixtrans-68.5-45.4173.9-72.4168.1000111.3Q15 L18 E19 K22 I72 E73 K74 D78 S79 E80Q15-L76 HydrophobicContact CG-CD2 3.89Å; L18-L76 HydrophobicContact CB-CD2 3.69Å; L18-L76 HydrophobicContact CB-CG 4.08Å; L18-L76 HydrophobicContact CD1-CD2 4.45Å; E19-L76 HydrophobicContact CG-CD2 3.81Å; K22-L76 HydrophobicContact CD-CD1 4.02Å; I72-L76 HydrophobicContact CG2-CD1 4.17Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 2.86Å; E73-L76 WeakPolarHBondContact O-CB 3.39Å; E73-L76 PolarHBondContact O-N 2.88Å; E73-L76 VanDerWaalsContact O-N 3.12Å; K74-L76 VanDerWaalsContact C-N 3.32Å; K74-L76 PolarHBondContact O-N 3.41Å; L76-D78 PolarHBondContact O-N 2.94Å; L76-S79 WeakPolarHBondContact O-CB 3.44Å; L76-S79 PolarHBondContact O-N 3.1Å; L76-S79 VanDerWaalsContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.3Å; L76-E80 PolarHBondContact O-N 2.86Å
77D91.2Very high89.6Confident101 Ų10171.9 Ų71.954%0.5437%0.372SS..Hα-helixtrans-59.5-46.1176.3-67.2-20.6000111.5E73 K74 S79 E80 V81E73-D77 PolarHBondContact O-N 3.43Å; K74-D77 PolarHBondContact O-N 3.02Å; D77-S79 VanDerWaalsContact C-N 3.28Å; D77-S79 PolarHBondContact O-N 3.47Å; D77-E80 PolarHBondContact O-N 3.08Å; D77-V81 WeakPolarHBondContact O-CG2 3.32Å; D77-V81 PolarHBondContact O-N 3.44Å; D77-V81 VanDerWaalsContact O-N 3.14Å
78D90.6Very high89.5Confident91 Ų9175.7 Ų75.749%0.48738%0.375SS..Hα-helixtrans-59.9-39.3176.2-75.1-20.9000111.3K74 L76 V81 M82K74-D78 PolarHBondContact O-N 3.47Å; L76-D78 PolarHBondContact O-N 2.94Å; D78-V81 PolarHBondContact O-N 3.11Å; D78-M82 VanDerWaalsContact O-CG 3.3Å; D78-M82 WeakPolarHBondContact O-CG 3.5Å; D78-M82 PolarHBondContact O-N 3.17Å; D78-M82 VanDerWaalsContact O-N 3.11Å
79S87.8Confident89.3Confident13 Ų1376 Ų769%0.09137%0.372CS..Hα-helixtrans-67-36.6178.280.80000113G75 L76 D77 M82 I83G75-S79 WeakPolarHBondContact O-CB 3.3Å; G75-S79 PolarHBondContact O-N 3.33Å; G75-S79 VanDerWaalsContact O-N 3.12Å; L76-S79 WeakPolarHBondContact O-CB 3.44Å; L76-S79 PolarHBondContact O-N 3.1Å; L76-S79 VanDerWaalsContact O-N 3.14Å; L76-S79 PolarHBondContact O-OG 3.3Å; D77-S79 VanDerWaalsContact C-N 3.28Å; D77-S79 PolarHBondContact O-N 3.47Å; S79-M82 PolarHBondContact O-N 3.28Å; S79-I83 WeakPolarHBondContact O-CG1 3.36Å; S79-I83 PolarHBondContact O-N 3.31Å
80E89.3Confident89Confident121 Ų12178.8 Ų78.857%0.56538%0.384SS*.Hα-helixtrans-66.7-41.9177.3-174.7172.5-17200111.2L76 D77 M82 I83 T84L76-E80 PolarHBondContact O-N 2.86Å; D77-E80 PolarHBondContact O-N 3.08Å; E80-M82 VanDerWaalsContact C-N 3.32Å; E80-M82 PolarHBondContact O-N 2.95Å; E80-I83 PolarHBondContact O-N 2.67Å; E80-T84 WeakPolarHBondContact O-CG2 3.37Å; E80-T84 PolarHBondContact O-N 3.3Å; E80-T84 PolarHBondContact O-OG1 3.21Å; E80-T84 VanDerWaalsContact O-OG1 3.08Å
81V91.5Very high88.7Confident87 Ų8776.7 Ų76.753%0.52738%0.377SS..Hα-helixtrans-60-42.5173.41760000111D77 D78 I83 T84 F85D77-V81 WeakPolarHBondContact O-CG2 3.32Å; D77-V81 PolarHBondContact O-N 3.44Å; D77-V81 VanDerWaalsContact O-N 3.14Å; D78-V81 PolarHBondContact O-N 3.11Å; V81-I83 PolarHBondContact O-N 2.93Å; V81-T84 WeakPolarHBondContact CA-OG1 3.49Å; V81-T84 PolarHBondContact O-N 3.41Å; V81-T84 PolarHBondContact O-OG1 2.99Å; V81-F85 WeakPolarHBondContact O-CB 3.45Å; V81-F85 PolarHBondContact O-N 3.41Å
82M87Confident88.6Confident100 Ų10073.6 Ų73.649%0.49336%0.364SS..Hα-helixtrans-65-39.7177.8-67.5-63.2150.800112.5I11 D78 S79 E80 A86I11-M82 HydrophobicContact CD1-CB 4.2Å; D78-M82 VanDerWaalsContact O-CG 3.3Å; D78-M82 WeakPolarHBondContact O-CG 3.5Å; D78-M82 PolarHBondContact O-N 3.17Å; D78-M82 VanDerWaalsContact O-N 3.11Å; S79-M82 PolarHBondContact O-N 3.28Å; E80-M82 VanDerWaalsContact C-N 3.32Å; E80-M82 PolarHBondContact O-N 2.95Å; M82-A86 WeakPolarHBondContact O-CB 3.42Å; M82-A86 PolarHBondContact O-N 3.26Å
83I85.1Confident88.1Confident20 Ų2075.8 Ų75.810%0.10337%0.374CS..Hα-helixtrans-68.7-40.4177.7-69.3170.5000111.5I11 K12 S79 E80 V81 A86 K87I11-I83 HydrophobicContact CG2-CD1 4.21Å; I11-I83 HydrophobicContact CG2-CG1 4Å; K12-I83 HydrophobicContact CG-CD1 4.33Å; S79-I83 WeakPolarHBondContact O-CG1 3.36Å; S79-I83 PolarHBondContact O-N 3.31Å; E80-I83 PolarHBondContact O-N 2.67Å; V81-I83 PolarHBondContact O-N 2.93Å; I83-A86 PolarHBondContact O-N 3.01Å; I83-K87 WeakPolarHBondContact O-CG 3.5Å; I83-K87 PolarHBondContact O-N 3.38Å; I83-K87 VanDerWaalsContact O-N 3.1Å
84T88Confident87.8Confident72 Ų7274.2 Ų74.244%0.44237%0.374SS..Hα-helixtrans-66.2-42177.152.30000111.4E80 V81 K87 Y88E80-T84 WeakPolarHBondContact O-CG2 3.37Å; E80-T84 PolarHBondContact O-N 3.3Å; E80-T84 PolarHBondContact O-OG1 3.21Å; E80-T84 VanDerWaalsContact O-OG1 3.08Å; V81-T84 WeakPolarHBondContact CA-OG1 3.49Å; V81-T84 PolarHBondContact O-N 3.41Å; V81-T84 PolarHBondContact O-OG1 2.99Å; T84-K87 WeakPolarHBondContact O-CB 3.28Å; T84-K87 PolarHBondContact O-N 3.08Å; T84-Y88 PolarHBondContact O-N 3.43Å; T84-Y88 VanDerWaalsContact O-N 3.11Å
85F88.4Confident87.6Confident121 Ų12172.5 Ų72.553%0.53137%0.368SS..Hα-helixtrans-62.6-41.7173.6-171.1-110.8000112.4V81 K87 Y88 I89V81-F85 WeakPolarHBondContact O-CB 3.45Å; V81-F85 PolarHBondContact O-N 3.41Å; F85-K87 VanDerWaalsContact C-N 3.33Å; F85-K87 PolarHBondContact O-N 3.45Å; F85-Y88 WeakPolarHBondContact O-CB 3.3Å; F85-Y88 PolarHBondContact O-N 3.02Å; F85-Y88 VanDerWaalsContact O-N 3.15Å; F85-I89 HydrophobicContact CD1-CD1 3.68Å; F85-I89 HydrophobicContact CD1-CG1 4.46Å; F85-I89 HydrophobicContact CE1-CD1 3.32Å; F85-I89 HydrophobicContact CE1-CG1 4.19Å; F85-I89 HydrophobicContact CZ-CD1 3.88Å; F85-I89 HydrophobicContact CZ-CG1 4.35Å; F85-I89 PolarHBondContact O-N 3.25Å
86A84.4Confident87.3Confident1 Ų175.9 Ų75.91%0.00838%0.379CS..Hα-helixtrans-60.5-40175.200000112.5M3 M82 I83 Y88 I89 E90M3-A86 HydrophobicContact CE-CB 4.06Å; M3-A86 HydrophobicContact SD-CB 4.13Å; M82-A86 WeakPolarHBondContact O-CB 3.42Å; M82-A86 PolarHBondContact O-N 3.26Å; I83-A86 PolarHBondContact O-N 3.01Å; A86-Y88 VanDerWaalsContact C-N 3.34Å; A86-I89 PolarHBondContact O-N 2.84Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.25Å
87K86.1Confident87.1Confident122 Ų12279.6 Ų79.653%0.5340%0.399SS..Hα-helixtrans-63.8-39.1174.6-70.7171.3-177.3171.90112.1I83 T84 F85 E90 H91I83-K87 WeakPolarHBondContact O-CG 3.5Å; I83-K87 PolarHBondContact O-N 3.38Å; I83-K87 VanDerWaalsContact O-N 3.1Å; T84-K87 WeakPolarHBondContact O-CB 3.28Å; T84-K87 PolarHBondContact O-N 3.08Å; F85-K87 VanDerWaalsContact C-N 3.33Å; F85-K87 PolarHBondContact O-N 3.45Å; K87-E90 PolarHBondContact O-N 3.4Å; K87-H91 PolarHBondContact O-N 3.27Å; K87-H91 VanDerWaalsContact O-N 3.08Å
88Y89.1Confident87Confident137 Ų13781.4 Ų81.454%0.53740%0.402SS..Hα-helixtrans-66.1-42.3177.5-179.3-108.5000111.9T84 F85 A86 H91 L92T84-Y88 PolarHBondContact O-N 3.43Å; T84-Y88 VanDerWaalsContact O-N 3.11Å; F85-Y88 WeakPolarHBondContact O-CB 3.3Å; F85-Y88 PolarHBondContact O-N 3.02Å; F85-Y88 VanDerWaalsContact O-N 3.15Å; A86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-H91 WeakPolarHBondContact O-CB 3.38Å; Y88-H91 PolarHBondContact O-N 3.11Å; Y88-L92 HydrophobicContact CD1-CD1 3.86Å; Y88-L92 HydrophobicContact CD1-CG 4.46Å; Y88-L92 HydrophobicContact CE1-CD1 3.31Å; Y88-L92 HydrophobicContact CE1-CG 4.07Å; Y88-L92 HydrophobicContact CE2-CD1 4.43Å; Y88-L92 HydrophobicContact CE2-CG 4.35Å; Y88-L92 PolarHBondContact O-N 3.06Å
89I86.7Confident86.9Confident38 Ų3880.9 Ų80.920%0.19540%0.402CS..Hα-helixtrans-60.9-47173.6-69171000110.9F85 A86 H91 L92 E93F85-I89 HydrophobicContact CD1-CD1 3.68Å; F85-I89 HydrophobicContact CD1-CG1 4.46Å; F85-I89 HydrophobicContact CE1-CD1 3.32Å; F85-I89 HydrophobicContact CE1-CG1 4.19Å; F85-I89 HydrophobicContact CZ-CD1 3.88Å; F85-I89 HydrophobicContact CZ-CG1 4.35Å; F85-I89 PolarHBondContact O-N 3.25Å; A86-I89 PolarHBondContact O-N 2.84Å; I89-H91 PolarHBondContact O-N 2.99Å; I89-L92 PolarHBondContact O-N 3.47Å; I89-E93 HydrophobicContact CG2-CG 4.22Å; I89-E93 WeakPolarHBondContact O-CG 3.49Å; I89-E93 PolarHBondContact O-N 2.95Å
90E83.9Confident86.9Confident79 Ų7985.2 Ų85.237%0.36942%0.421SS..Hα-helixtrans-57.3-38.4177.8-75.4171-175.700111.9K8 A86 K87 A94K8-E90 IonicContact NZ-OE1 2.78Å; K8-E90 PolarHBondContact NZ-OE1 3.47Å; K8-E90 IonicContact NZ-OE2 3.9Å; K8-E90 PolarHBondContact NZ-OE2 3.33Å; A86-E90 WeakPolarHBondContact O-CG 3.36Å; A86-E90 PolarHBondContact O-N 3.25Å; K87-E90 PolarHBondContact O-N 3.4Å; E90-A94 PolarHBondContact O-N 3.15Å; E90-A94 VanDerWaalsContact O-N 3.16Å
91H87.9Confident86.5Confident105 Ų10584.9 Ų84.949%0.48642%0.423SS..Hα-helixtrans-66.6-48.2175.5-177.666.8000112.3K87 Y88 I89 E93 A94 E95K87-H91 PolarHBondContact O-N 3.27Å; K87-H91 VanDerWaalsContact O-N 3.08Å; Y88-H91 WeakPolarHBondContact O-CB 3.38Å; Y88-H91 PolarHBondContact O-N 3.11Å; I89-H91 PolarHBondContact O-N 2.99Å; H91-E93 VanDerWaalsContact C-N 3.31Å; H91-E93 PolarHBondContact O-N 2.96Å; H91-A94 WeakPolarHBondContact O-CB 3.33Å; H91-A94 PolarHBondContact O-N 3.25Å; H91-E95 IonicContact CE1-OE1 2.73Å; H91-E95 IonicContact NE2-OE1 2.99Å; H91-E95 PolarHBondContact O-N 2.65Å
92L87.3Confident86.3Confident71 Ų7185.7 Ų85.737%0.37242%0.42SS..Hα-helixtrans-61.5-38.2177.6-74.4179000112.5Y88 I89 E95 L96Y88-L92 HydrophobicContact CD1-CD1 3.86Å; Y88-L92 HydrophobicContact CD1-CG 4.46Å; Y88-L92 HydrophobicContact CE1-CD1 3.31Å; Y88-L92 HydrophobicContact CE1-CG 4.07Å; Y88-L92 HydrophobicContact CE2-CD1 4.43Å; Y88-L92 HydrophobicContact CE2-CG 4.35Å; Y88-L92 PolarHBondContact O-N 3.06Å; I89-L92 PolarHBondContact O-N 3.47Å; L92-E95 PolarHBondContact O-N 3.41Å; L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 PolarHBondContact O-N 3Å
93E81.4Confident86.3Confident60 Ų6085 Ų8528%0.2842%0.419SS..Hα-helixtrans-65.2-39.4175.5-71.9-169.3138.500112M1 G2 I89 H91 E95 L96 L97M1-E93 WeakPolarHBondContact CA-OE1 3.48Å; M1-E93 PolarHBondContact N-OE1 3.27Å; G2-E93 WeakPolarHBondContact CA-OE1 3.34Å; G2-E93 VanDerWaalsContact CA-OE2 3.31Å; G2-E93 WeakPolarHBondContact CA-OE2 3.31Å; G2-E93 PolarHBondContact N-OE1 3.16Å; I89-E93 HydrophobicContact CG2-CG 4.22Å; I89-E93 WeakPolarHBondContact O-CG 3.49Å; I89-E93 PolarHBondContact O-N 2.95Å; H91-E93 VanDerWaalsContact C-N 3.31Å; H91-E93 PolarHBondContact O-N 2.96Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-L96 PolarHBondContact O-N 2.85Å; E93-L97 WeakPolarHBondContact O-CG 3.31Å; E93-L97 PolarHBondContact O-N 3.28Å
94A84.5Confident86.3Confident44 Ų4489.1 Ų89.136%0.36444%0.437SS..Hα-helixtrans-64.9-37.1174.300000112.2E90 H91 K98E90-A94 PolarHBondContact O-N 3.15Å; E90-A94 VanDerWaalsContact O-N 3.16Å; H91-A94 WeakPolarHBondContact O-CB 3.33Å; H91-A94 PolarHBondContact O-N 3.25Å; A94-K98 VanDerWaalsContact O-CG 3.31Å; A94-K98 WeakPolarHBondContact O-CG 3.47Å; A94-K98 PolarHBondContact O-N 3.02Å
95E87.7Confident86.1Confident89 Ų8990.3 Ų90.342%0.41643%0.434SS..Hα-helixtrans-68.2-42.5173.3-67.2-163.5141.500112.3H91 L92 E93 L97 K98 V99H91-E95 IonicContact CE1-OE1 2.73Å; H91-E95 IonicContact NE2-OE1 2.99Å; H91-E95 PolarHBondContact O-N 2.65Å; L92-E95 PolarHBondContact O-N 3.41Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E95-L97 PolarHBondContact O-N 3.18Å; E95-K98 WeakPolarHBondContact O-CB 3.28Å; E95-K98 PolarHBondContact O-N 3.46Å; E95-V99 WeakPolarHBondContact O-CG2 3.44Å; E95-V99 PolarHBondContact O-N 2.92Å
96L84.5Confident85.9Confident97 Ų9787.9 Ų87.951%0.50843%0.426SS..Hα-helixtrans-58.2-46.3174.9-179.665.5000111.5L92 E93 K98 V99 Q100L92-L96 WeakPolarHBondContact O-CB 3.34Å; L92-L96 PolarHBondContact O-N 3Å; E93-L96 PolarHBondContact O-N 2.85Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 2.8Å; L96-V99 PolarHBondContact O-N 3.18Å; L96-Q100 HydrophobicContact CD1-CG 4.41Å; L96-Q100 HydrophobicContact CG-CG 4.45Å; L96-Q100 WeakPolarHBondContact O-CB 3.43Å; L96-Q100 WeakPolarHBondContact O-CG 3.36Å; L96-Q100 PolarHBondContact O-N 2.89Å
97L87.1Confident86.1Confident103 Ų10391.9 Ų91.954%0.53945%0.45SS..Hα-helixtrans-61.7-39.2177.1-74171.5000112.2E93 E95 Q100 L101E93-L97 WeakPolarHBondContact O-CG 3.31Å; E93-L97 PolarHBondContact O-N 3.28Å; E95-L97 PolarHBondContact O-N 3.18Å; L97-Q100 PolarHBondContact O-N 3.5Å; L97-L101 WeakPolarHBondContact O-CB 3.34Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 2.84Å
98K88.8Confident86.1Confident138 Ų13890.4 Ų90.460%0.645%0.446SS*.Hα-helixtrans-62.2-45174.5-72.3169.7-173172.60111.5A94 E95 L96 L101 H102A94-K98 VanDerWaalsContact O-CG 3.31Å; A94-K98 WeakPolarHBondContact O-CG 3.47Å; A94-K98 PolarHBondContact O-N 3.02Å; E95-K98 WeakPolarHBondContact O-CB 3.28Å; E95-K98 PolarHBondContact O-N 3.46Å; L96-K98 VanDerWaalsContact C-N 3.33Å; L96-K98 PolarHBondContact O-N 2.8Å; K98-L101 PolarHBondContact O-N 3.47Å; K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.49Å
99V89.1Confident85.8Confident81 Ų8187.6 Ų87.649%0.49144%0.437SS..Hα-helixtrans-67.3-39.8178.9173.20000111.2E95 L96 H102 N103E95-V99 WeakPolarHBondContact O-CG2 3.44Å; E95-V99 PolarHBondContact O-N 2.92Å; L96-V99 PolarHBondContact O-N 3.18Å; V99-H102 PolarHBondContact O-N 2.68Å; V99-N103 WeakPolarHBondContact O-CB 3.46Å; V99-N103 PolarHBondContact O-N 2.87Å; V99-N103 PolarHBondContact O-ND2 3.18Å
100Q86.2Confident85.8Confident103 Ų10389.1 Ų89.148%0.48145%0.449SS..Hα-helixtrans-61.8-45.7175.2-76.4176.5-22.100111.9L96 L97 H102 N103 Q104L96-Q100 HydrophobicContact CD1-CG 4.41Å; L96-Q100 HydrophobicContact CG-CG 4.45Å; L96-Q100 WeakPolarHBondContact O-CB 3.43Å; L96-Q100 WeakPolarHBondContact O-CG 3.36Å; L96-Q100 PolarHBondContact O-N 2.89Å; L97-Q100 PolarHBondContact O-N 3.5Å; Q100-H102 VanDerWaalsContact C-N 3.32Å; Q100-H102 PolarHBondContact O-N 2.73Å; Q100-N103 PolarHBondContact O-N 3.3Å; Q100-Q104 WeakPolarHBondContact O-CB 3.43Å; Q100-Q104 PolarHBondContact O-N 2.95Å
101L80.7Confident85.9Confident115 Ų11588.8 Ų88.860%0.60245%0.454SS*.Hα-helixtrans-63.8-36.7175-74.4169.4000112.3L97 K98 R105L97-L101 WeakPolarHBondContact O-CB 3.34Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 2.84Å; K98-L101 PolarHBondContact O-N 3.47Å; L101-R105 WeakPolarHBondContact O-CB 3.1Å; L101-R105 PolarHBondContact O-N 3.37Å
102H88.6Confident85.7Confident103 Ų10389.1 Ų89.148%0.47745%0.451SS..Hα-helixtrans-66.5-44.1174.7-172.372.3000111.9K98 V99 Q100 R105 L106K98-H102 WeakPolarHBondContact O-CB 3.43Å; K98-H102 PolarHBondContact O-N 3.49Å; V99-H102 PolarHBondContact O-N 2.68Å; Q100-H102 VanDerWaalsContact C-N 3.32Å; Q100-H102 PolarHBondContact O-N 2.73Å; H102-R105 WeakPolarHBondContact O-CB 3.46Å; H102-R105 PolarHBondContact O-N 3.49Å; H102-L106 WeakPolarHBondContact O-CG 3.49Å; H102-L106 PolarHBondContact O-N 3.3Å
103N86.6Confident85.7Confident87 Ų8790.7 Ų90.747%0.46546%0.459SS..Hα-helixtrans-62.6-44.7175-84.3-49.5000111.9V99 Q100 R105 L106 T107V99-N103 WeakPolarHBondContact O-CB 3.46Å; V99-N103 PolarHBondContact O-N 2.87Å; V99-N103 PolarHBondContact O-ND2 3.18Å; Q100-N103 PolarHBondContact O-N 3.3Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.32Å; N103-L106 PolarHBondContact O-N 2.94Å; N103-L106 VanDerWaalsContact O-N 3.15Å; N103-T107 WeakPolarHBondContact O-CG2 3.38Å; N103-T107 PolarHBondContact O-N 3.47Å; N103-T107 PolarHBondContact O-OG1 3.21Å
104Q85.2Confident86.1Confident105 Ų10596.8 Ų96.849%0.49148%0.48SS..Hα-helixtrans-58.1-44.6176.1-174.8179.6-5.100111.1Q100 L106 T107 E108Q100-Q104 WeakPolarHBondContact O-CB 3.43Å; Q100-Q104 PolarHBondContact O-N 2.95Å; Q104-L106 PolarHBondContact O-N 2.97Å; Q104-T107 WeakPolarHBondContact CA-OG1 3.49Å; Q104-T107 PolarHBondContact O-N 3.07Å; Q104-T107 PolarHBondContact O-OG1 2.89Å; Q104-E108 PolarHBondContact NE2-OE1 3.21Å; Q104-E108 WeakPolarHBondContact O-CG 3.32Å; Q104-E108 PolarHBondContact O-N 2.84Å
105R83.5Confident86.1Confident97 Ų9799.4 Ų99.437%0.36649%0.487SS..Hα-helixtrans-57.8-48.7174.2-179.5-167.6176.9-170.4-12.8112L101 H102 N103 T107 E108 E109 R280L101-R105 WeakPolarHBondContact O-CB 3.1Å; L101-R105 PolarHBondContact O-N 3.37Å; H102-R105 WeakPolarHBondContact O-CB 3.46Å; H102-R105 PolarHBondContact O-N 3.49Å; N103-R105 VanDerWaalsContact C-N 3.29Å; N103-R105 PolarHBondContact O-N 3.32Å; R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.15Å; R105-E108 PolarHBondContact O-N 2.87Å; R105-E109 HydrophobicContact CG-CG 4.45Å; R105-E109 IonicContact CZ-OE1 2.93Å; R105-E109 VanDerWaalsContact CZ-OE1 3.23Å; R105-E109 IonicContact NE-OE1 3.94Å; R105-E109 PolarHBondContact NE-OE1 2.88Å; R105-E109 IonicContact NH2-OE1 3.56Å; R105-E109 PolarHBondContact NH2-OE1 3.33Å; R105-E109 WeakPolarHBondContact O-CG 3.45Å; R105-E109 PolarHBondContact O-N 3.36Å; R105-R280 VanDerWaalsContact NE-NH1 3.16Å
106L85Confident86Confident70 Ų7098 Ų9837%0.36648%0.481SS..Hα-helixtrans-62.6-36.1178.6-72.1173.6000111.9H102 N103 Q104 T110H102-L106 WeakPolarHBondContact O-CG 3.49Å; H102-L106 PolarHBondContact O-N 3.3Å; N103-L106 PolarHBondContact O-N 2.94Å; N103-L106 VanDerWaalsContact O-N 3.15Å; Q104-L106 PolarHBondContact O-N 2.97Å; L106-T110 WeakPolarHBondContact O-CB 3.32Å; L106-T110 VanDerWaalsContact O-CG2 3.27Å; L106-T110 WeakPolarHBondContact O-CG2 3.45Å; L106-T110 PolarHBondContact O-N 3.35Å; L106-T110 PolarHBondContact O-OG1 3.31Å
107T88.2Confident86.2Confident85 Ų8598.1 Ų98.152%0.52148%0.482SS..Hα-helixtrans-66.6-37.5174.855.80000112.5N103 Q104 R105 T110 C111N103-T107 WeakPolarHBondContact O-CG2 3.38Å; N103-T107 PolarHBondContact O-N 3.47Å; N103-T107 PolarHBondContact O-OG1 3.21Å; Q104-T107 WeakPolarHBondContact CA-OG1 3.49Å; Q104-T107 PolarHBondContact O-N 3.07Å; Q104-T107 PolarHBondContact O-OG1 2.89Å; R105-T107 VanDerWaalsContact C-N 3.29Å; R105-T107 PolarHBondContact O-N 3.15Å; T107-T110 WeakPolarHBondContact CA-OG1 3.37Å; T107-T110 PolarHBondContact O-OG1 3.02Å; T107-T110 VanDerWaalsContact O-OG1 3.05Å; T107-C111 VanDerWaalsContact O-CB 3.29Å; T107-C111 WeakPolarHBondContact O-CB 3.29Å; T107-C111 PolarHBondContact O-N 3.41Å
108E85.9Confident86.4Confident92 Ų9299.9 Ų99.943%0.4349%0.485SS..Hα-helixtrans-70.1-42.5175.7-70.9174.4-175.700111.7Q104 R105 C111 W112Q104-E108 PolarHBondContact NE2-OE1 3.21Å; Q104-E108 WeakPolarHBondContact O-CG 3.32Å; Q104-E108 PolarHBondContact O-N 2.84Å; R105-E108 PolarHBondContact O-N 2.87Å; E108-C111 PolarHBondContact O-N 3.38Å; E108-W112 WeakPolarHBondContact O-CB 3.49Å; E108-W112 PolarHBondContact O-N 3.36Å
109E83.1Confident86.3Confident77 Ų7798.8 Ų98.836%0.3648%0.478SS..Hα-helixtrans-63.9-42.4176.1-73.7175.3177.300111.5R105 W112 L113R105-E109 HydrophobicContact CG-CG 4.45Å; R105-E109 IonicContact CZ-OE1 2.93Å; R105-E109 VanDerWaalsContact CZ-OE1 3.23Å; R105-E109 IonicContact NE-OE1 3.94Å; R105-E109 PolarHBondContact NE-OE1 2.88Å; R105-E109 IonicContact NH2-OE1 3.56Å; R105-E109 PolarHBondContact NH2-OE1 3.33Å; R105-E109 WeakPolarHBondContact O-CG 3.45Å; R105-E109 PolarHBondContact O-N 3.36Å; E109-W112 PolarHBondContact O-N 3.31Å; E109-L113 WeakPolarHBondContact O-CB 3.39Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.47Å; E109-L113 PolarHBondContact O-N 3.38Å
110T87.3Confident86.3Confident71 Ų7198.2 Ų98.244%0.43648%0.475SS..Hα-helixtrans-69.8-34.7176.950.60000113.2L106 T107 R114L106-T110 WeakPolarHBondContact O-CB 3.32Å; L106-T110 VanDerWaalsContact O-CG2 3.27Å; L106-T110 WeakPolarHBondContact O-CG2 3.45Å; L106-T110 PolarHBondContact O-N 3.35Å; L106-T110 PolarHBondContact O-OG1 3.31Å; T107-T110 WeakPolarHBondContact CA-OG1 3.37Å; T107-T110 PolarHBondContact O-OG1 3.02Å; T107-T110 VanDerWaalsContact O-OG1 3.05Å; T110-R114 WeakPolarHBondContact O-CG 3.39Å; T110-R114 PolarHBondContact O-N 3.29Å
111C85.4Confident86.6Confident71 Ų7198.1 Ų98.148%0.4847%0.474SS..Hα-helixtrans-63.3-47.6171.7-1690000110.6T107 E108 L113 R114 D115T107-C111 VanDerWaalsContact O-CB 3.29Å; T107-C111 WeakPolarHBondContact O-CB 3.29Å; T107-C111 PolarHBondContact O-N 3.41Å; E108-C111 PolarHBondContact O-N 3.38Å; C111-L113 PolarHBondContact O-N 3.45Å; C111-R114 WeakPolarHBondContact O-CB 3.38Å; C111-R114 PolarHBondContact O-N 2.94Å; C111-R114 VanDerWaalsContact O-N 3.15Å; C111-D115 PolarHBondContact O-N 3.28Å
112W84Confident87.1Confident113 Ų11395.2 Ų95.243%0.42846%0.461SS..Hα-helixtrans-60.8-44.3177.2177.773.7000112.8E108 E109 R114 D115 E116E108-W112 WeakPolarHBondContact O-CB 3.49Å; E108-W112 PolarHBondContact O-N 3.36Å; E109-W112 PolarHBondContact O-N 3.31Å; W112-R114 PolarHBondContact O-N 3.45Å; W112-D115 PolarHBondContact O-N 3.31Å; W112-D115 VanDerWaalsContact O-N 3.16Å; W112-E116 HydrophobicContact CH2-CB 4.43Å; W112-E116 HydrophobicContact CH2-CG 4.2Å; W112-E116 HydrophobicContact CZ2-CB 4.15Å; W112-E116 HydrophobicContact CZ2-CG 3.96Å; W112-E116 WeakPolarHBondContact O-CB 3.32Å; W112-E116 PolarHBondContact O-N 3.38Å
113L86.5Confident87.2Confident104 Ų10494.6 Ų94.655%0.54546%0.457SS..Hα-helixtrans-60.6-34.2176.8-75.3170.4000112.3E109 C111 L117E109-L113 WeakPolarHBondContact O-CB 3.39Å; E109-L113 VanDerWaalsContact O-CG 3.32Å; E109-L113 WeakPolarHBondContact O-CG 3.47Å; E109-L113 PolarHBondContact O-N 3.38Å; C111-L113 PolarHBondContact O-N 3.45Å; L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 PolarHBondContact O-N 3.35Å
114R89.8Confident87.4Confident187 Ų18795.2 Ų95.271%0.70646%0.46SS*.Hα-helixtrans-69.1-42.1174.7-71.3173.3-169.3-97.52.6111.7T110 C111 W112 K118T110-R114 WeakPolarHBondContact O-CG 3.39Å; T110-R114 PolarHBondContact O-N 3.29Å; C111-R114 WeakPolarHBondContact O-CB 3.38Å; C111-R114 PolarHBondContact O-N 2.94Å; C111-R114 VanDerWaalsContact O-N 3.15Å; W112-R114 PolarHBondContact O-N 3.45Å; R114-K118 WeakPolarHBondContact O-CB 3.44Å; R114-K118 PolarHBondContact O-N 3.29Å
115D86Confident87.7Confident99 Ų9996.1 Ų96.153%0.52946%0.464SS..Hα-helixtrans-66.7-41.8177.7-72.1-17.4000111.7C111 W112 K118 Y119C111-D115 PolarHBondContact O-N 3.28Å; W112-D115 PolarHBondContact O-N 3.31Å; W112-D115 VanDerWaalsContact O-N 3.16Å; D115-K118 PolarHBondContact O-N 3.01Å; D115-Y119 WeakPolarHBondContact O-CB 3.44Å; D115-Y119 PolarHBondContact O-N 3.45Å
116E85.6Confident88.1Confident60 Ų6097.6 Ų97.628%0.2848%0.475SS..Hα-helixtrans-67.6-41.4176.8-16567-144.300111W112 K118 Y119 T120W112-E116 HydrophobicContact CH2-CB 4.43Å; W112-E116 HydrophobicContact CH2-CG 4.2Å; W112-E116 HydrophobicContact CZ2-CB 4.15Å; W112-E116 HydrophobicContact CZ2-CG 3.96Å; W112-E116 WeakPolarHBondContact O-CB 3.32Å; W112-E116 PolarHBondContact O-N 3.38Å; E116-K118 VanDerWaalsContact C-N 3.35Å; E116-K118 PolarHBondContact O-N 2.89Å; E116-Y119 PolarHBondContact O-N 3.18Å; E116-T120 WeakPolarHBondContact O-CG2 3.25Å; E116-T120 PolarHBondContact O-N 3.41Å; E116-T120 PolarHBondContact O-OG1 3.24Å
117L88.4Confident88.3Confident99 Ų9998.7 Ų98.752%0.51848%0.482SS..Hα-helixtrans-58-48.4172.2-174.278.6000110.6L113 Y119 T120 Q121L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.48Å; L113-L117 PolarHBondContact O-N 3.35Å; L117-Y119 VanDerWaalsContact C-N 3.32Å; L117-Y119 PolarHBondContact O-N 3.37Å; L117-T120 WeakPolarHBondContact CA-OG1 3.29Å; L117-T120 PolarHBondContact O-N 3.19Å; L117-T120 PolarHBondContact O-OG1 3.46Å; L117-Q121 WeakPolarHBondContact O-CG 3.49Å; L117-Q121 PolarHBondContact O-N 3.23Å
118K90.3Very high88.5Confident140 Ų140100 Ų10061%0.60948%0.482SS*.Hα-helixtrans-58.9-43.6177.6-174.2179.5179-177.70111.6R114 D115 E116 Q121 T122R114-K118 WeakPolarHBondContact O-CB 3.44Å; R114-K118 PolarHBondContact O-N 3.29Å; D115-K118 PolarHBondContact O-N 3.01Å; E116-K118 VanDerWaalsContact C-N 3.35Å; E116-K118 PolarHBondContact O-N 2.89Å; K118-Q121 PolarHBondContact O-N 2.99Å; K118-T122 WeakPolarHBondContact O-CG2 3.41Å; K118-T122 PolarHBondContact O-N 2.93Å; K118-T122 PolarHBondContact O-OG1 2.84Å
119Y87.7Confident88.8Confident115 Ų11599.3 Ų99.345%0.45149%0.487SS..Hα-helixtrans-63.5-41.9176.6176.3-108.5000113D115 E116 L117 Q121 T122 K123D115-Y119 WeakPolarHBondContact O-CB 3.44Å; D115-Y119 PolarHBondContact O-N 3.45Å; E116-Y119 PolarHBondContact O-N 3.18Å; L117-Y119 VanDerWaalsContact C-N 3.32Å; L117-Y119 PolarHBondContact O-N 3.37Å; Y119-Q121 VanDerWaalsContact C-N 3.35Å; Y119-T122 PolarHBondContact O-N 3.36Å; Y119-T122 PolarHBondContact O-OG1 3.49Å; Y119-K123 HydrophobicContact CD1-CD 4.42Å; Y119-K123 HydrophobicContact CE1-CD 3.74Å; Y119-K123 HydrophobicContact CE2-CD 4.36Å; Y119-K123 VanDerWaalsContact CZ-CE 3.42Å; Y119-K123 PolarHBondContact O-N 3.43Å; Y119-K123 VanDerWaalsContact O-N 3.08Å; Y119-K123 WeakPolarHBondContact OH-CE 3.42Å; Y119-K123 PolarHBondContact OH-NZ 3.18Å
120T87.4Confident89.3Confident70 Ų70100.2 Ų100.243%0.42949%0.494SS..Hα-helixtrans-67.8-35.8176.758.40000112.1E116 L117 K123 L124E116-T120 WeakPolarHBondContact O-CG2 3.25Å; E116-T120 PolarHBondContact O-N 3.41Å; E116-T120 PolarHBondContact O-OG1 3.24Å; L117-T120 WeakPolarHBondContact CA-OG1 3.29Å; L117-T120 PolarHBondContact O-N 3.19Å; L117-T120 PolarHBondContact O-OG1 3.46Å; T120-K123 PolarHBondContact O-N 3.44Å; T120-L124 WeakPolarHBondContact O-CB 3.18Å; T120-L124 PolarHBondContact O-N 3Å
121Q92.9Very high89.5Confident101 Ų101102.4 Ų102.447%0.47250%0.502SS..Hα-helixtrans-64.1-47.6174-74.5173.7-27.400111.5L117 K118 Y119 K123 L124 E125L117-Q121 WeakPolarHBondContact O-CG 3.49Å; L117-Q121 PolarHBondContact O-N 3.23Å; K118-Q121 PolarHBondContact O-N 2.99Å; Y119-Q121 VanDerWaalsContact C-N 3.35Å; Q121-K123 VanDerWaalsContact C-N 3.28Å; Q121-K123 PolarHBondContact O-N 3.4Å; Q121-L124 WeakPolarHBondContact O-CB 3.48Å; Q121-L124 PolarHBondContact O-N 3.26Å; Q121-L124 VanDerWaalsContact O-N 3.11Å; Q121-E125 WeakPolarHBondContact O-CG 3.4Å; Q121-E125 PolarHBondContact O-N 3.46Å
122T91.8Very high89.8Confident54 Ų54101.8 Ų101.833%0.33150%0.502SS..Hα-helixtrans-62.1-37.5177.553.90000112K118 Y119 E125 E126K118-T122 WeakPolarHBondContact O-CG2 3.41Å; K118-T122 PolarHBondContact O-N 2.93Å; K118-T122 PolarHBondContact O-OG1 2.84Å; Y119-T122 PolarHBondContact O-N 3.36Å; Y119-T122 PolarHBondContact O-OG1 3.49Å; T122-E125 PolarHBondContact O-N 3.47Å; T122-E126 WeakPolarHBondContact O-CG 3.29Å; T122-E126 PolarHBondContact O-N 2.98Å
123K90.3Very high90.1Very high90 Ų90101.4 Ų101.439%0.39151%0.505SS..Hα-helixtrans-67.7-36174.7-89.3-173.8156.5177.60113.4Y119 T120 Q121 N127Y119-K123 HydrophobicContact CD1-CD 4.42Å; Y119-K123 HydrophobicContact CE1-CD 3.74Å; Y119-K123 HydrophobicContact CE2-CD 4.36Å; Y119-K123 VanDerWaalsContact CZ-CE 3.42Å; Y119-K123 PolarHBondContact O-N 3.43Å; Y119-K123 VanDerWaalsContact O-N 3.08Å; Y119-K123 WeakPolarHBondContact OH-CE 3.42Å; Y119-K123 PolarHBondContact OH-NZ 3.18Å; T120-K123 PolarHBondContact O-N 3.44Å; Q121-K123 VanDerWaalsContact C-N 3.28Å; Q121-K123 PolarHBondContact O-N 3.4Å; K123-N127 WeakPolarHBondContact O-CB 3.42Å; K123-N127 VanDerWaalsContact O-CG 3.27Å; K123-N127 PolarHBondContact O-N 3.07Å; K123-N127 PolarHBondContact O-ND2 3.5Å; K123-N127 VanDerWaalsContact O-ND2 3.13Å
124L90.7Very high90.4Very high99 Ų9999.4 Ų99.452%0.51850%0.497SS..Hα-helixtrans-64.3-46.2174.8-178.464000109.8T120 Q121 E126 N127 E128T120-L124 WeakPolarHBondContact O-CB 3.18Å; T120-L124 PolarHBondContact O-N 3Å; Q121-L124 WeakPolarHBondContact O-CB 3.48Å; Q121-L124 PolarHBondContact O-N 3.26Å; Q121-L124 VanDerWaalsContact O-N 3.11Å; L124-E126 PolarHBondContact O-N 3.15Å; L124-N127 PolarHBondContact O-N 3.39Å; L124-E128 HydrophobicContact CD1-CG 4.4Å; L124-E128 HydrophobicContact CG-CG 4.44Å; L124-E128 WeakPolarHBondContact O-CB 3.28Å; L124-E128 VanDerWaalsContact O-CG 3.3Å; L124-E128 WeakPolarHBondContact O-CG 3.43Å; L124-E128 PolarHBondContact O-N 3.45Å
125E92.2Very high90.5Very high124 Ų12494 Ų9458%0.57948%0.48SS*.Hα-helixtrans-59.8-43.3175.8-69.4170.6-178.700112.3Q121 T122 E128 S129Q121-E125 WeakPolarHBondContact O-CG 3.4Å; Q121-E125 PolarHBondContact O-N 3.46Å; T122-E125 PolarHBondContact O-N 3.47Å; E125-E128 PolarHBondContact O-N 3.41Å; E125-S129 WeakPolarHBondContact O-CB 3.32Å; E125-S129 PolarHBondContact O-N 3.47Å
126E91.3Very high90.9Very high128 Ų12893.9 Ų93.960%0.59848%0.483SS*.Hα-helixtrans-61-45.1174.4-76173.9-179.300112.1T122 L124 S129 L130T122-E126 WeakPolarHBondContact O-CG 3.29Å; T122-E126 PolarHBondContact O-N 2.98Å; L124-E126 PolarHBondContact O-N 3.15Å; E126-S129 PolarHBondContact O-N 2.93Å; E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 PolarHBondContact O-N 3Å
127N89.4Confident91.1Very high94 Ų9495.6 Ų95.650%0.50349%0.491SS..Hα-helixtrans-68.3-38.5178.5-74.8-33.2000112.1K123 L124 S129 L130 L131K123-N127 WeakPolarHBondContact O-CB 3.42Å; K123-N127 VanDerWaalsContact O-CG 3.27Å; K123-N127 PolarHBondContact O-N 3.07Å; K123-N127 PolarHBondContact O-ND2 3.5Å; K123-N127 VanDerWaalsContact O-ND2 3.13Å; L124-N127 PolarHBondContact O-N 3.39Å; N127-S129 VanDerWaalsContact C-N 3.34Å; N127-L130 PolarHBondContact O-N 3.21Å; N127-L131 WeakPolarHBondContact O-CB 3.48Å; N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 3.46Å
128E92.5Very high91.4Very high111 Ų11195 Ų9552%0.51948%0.484SS..Hα-helixtrans-63.2-41.1174.1-75.9177.5173.600111.1L124 E125 L131 A132L124-E128 HydrophobicContact CD1-CG 4.4Å; L124-E128 HydrophobicContact CG-CG 4.44Å; L124-E128 WeakPolarHBondContact O-CB 3.28Å; L124-E128 VanDerWaalsContact O-CG 3.3Å; L124-E128 WeakPolarHBondContact O-CG 3.43Å; L124-E128 PolarHBondContact O-N 3.45Å; E125-E128 PolarHBondContact O-N 3.41Å; E128-L131 PolarHBondContact O-N 3.45Å; E128-A132 WeakPolarHBondContact O-CB 3.23Å; E128-A132 PolarHBondContact O-N 3.15Å
129S92Very high91.5Very high78 Ų7894.1 Ų94.155%0.54548%0.48SS..Hα-helixtrans-63-43.8173.8-177.50000112E125 E126 N127 A132 Q133E125-S129 WeakPolarHBondContact O-CB 3.32Å; E125-S129 PolarHBondContact O-N 3.47Å; E126-S129 PolarHBondContact O-N 2.93Å; N127-S129 VanDerWaalsContact C-N 3.34Å; S129-A132 PolarHBondContact O-N 2.92Å; S129-Q133 PolarHBondContact O-N 3.04Å
130L93.4Very high91.7Very high96 Ų9694 Ų9450%0.50348%0.484SS..Hα-helixtrans-64.9-42176.6-171.367.8000111.7E126 N127 A132 Q133 T134E126-L130 WeakPolarHBondContact O-CB 3.27Å; E126-L130 PolarHBondContact O-N 3Å; N127-L130 PolarHBondContact O-N 3.21Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.46Å; L130-Q133 PolarHBondContact O-N 3.3Å; L130-T134 WeakPolarHBondContact O-CG2 3.32Å; L130-T134 PolarHBondContact O-N 3.28Å; L130-T134 PolarHBondContact O-OG1 3.48Å
131L91.5Very high91.9Very high117 Ų11795.9 Ų95.961%0.61349%0.491SS*.Hα-helixtrans-60.8-43.9174.6-78.8171.5000111.3N127 E128 Q133 T134 E135N127-L131 WeakPolarHBondContact O-CB 3.48Å; N127-L131 WeakPolarHBondContact O-CG 3.45Å; N127-L131 PolarHBondContact O-N 3.46Å; E128-L131 PolarHBondContact O-N 3.45Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.33Å; L131-T134 WeakPolarHBondContact CA-OG1 3.41Å; L131-T134 PolarHBondContact O-N 3.11Å; L131-T134 PolarHBondContact O-OG1 3.3Å; L131-E135 WeakPolarHBondContact O-CB 3.36Å; L131-E135 PolarHBondContact O-N 2.98Å
132A91.9Very high91.9Very high58 Ų5895.5 Ų95.548%0.47949%0.489SS..Hα-helixtrans-60.5-41.217500000112.1E128 S129 L130 E135 V136E128-A132 WeakPolarHBondContact O-CB 3.23Å; E128-A132 PolarHBondContact O-N 3.15Å; S129-A132 PolarHBondContact O-N 2.92Å; L130-A132 VanDerWaalsContact C-N 3.35Å; L130-A132 PolarHBondContact O-N 3.46Å; A132-E135 PolarHBondContact O-N 3.11Å; A132-V136 WeakPolarHBondContact O-CG2 3.19Å; A132-V136 PolarHBondContact O-N 2.98Å; A132-V136 VanDerWaalsContact O-N 3.14Å
133Q91.2Very high91.8Very high105 Ų10598.9 Ų98.949%0.49150%0.499SS..Hα-helixtrans-63.3-49.1175.4-176.8178.2-8.100111.7S129 L130 L131 E135 V136 E137S129-Q133 PolarHBondContact O-N 3.04Å; L130-Q133 PolarHBondContact O-N 3.3Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 3.33Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; Q133-E135 PolarHBondContact O-N 2.89Å; Q133-V136 WeakPolarHBondContact O-CB 3.42Å; Q133-V136 PolarHBondContact O-N 2.94Å; Q133-V136 VanDerWaalsContact O-N 3.14Å; Q133-E137 PolarHBondContact NE2-OE1 3.08Å; Q133-E137 WeakPolarHBondContact O-CG 3.41Å; Q133-E137 PolarHBondContact O-N 3.31Å
134T91.6Very high91.7Very high62 Ų6299.4 Ų99.438%0.3850%0.504SS..Hα-helixtrans-63.5-33.3179.458.50000112.7L130 L131 E137 K138L130-T134 WeakPolarHBondContact O-CG2 3.32Å; L130-T134 PolarHBondContact O-N 3.28Å; L130-T134 PolarHBondContact O-OG1 3.48Å; L131-T134 WeakPolarHBondContact CA-OG1 3.41Å; L131-T134 PolarHBondContact O-N 3.11Å; L131-T134 PolarHBondContact O-OG1 3.3Å; T134-E137 PolarHBondContact O-N 2.86Å; T134-K138 WeakPolarHBondContact O-CB 3.47Å; T134-K138 PolarHBondContact O-N 2.95Å
135E93.1Very high91.5Very high73 Ų7399.7 Ų99.734%0.34151%0.506SS..Hα-helixtrans-69-35.6175.2-176.560.7-15700111.8L131 A132 Q133 K138 K139L131-E135 WeakPolarHBondContact O-CB 3.36Å; L131-E135 PolarHBondContact O-N 2.98Å; A132-E135 PolarHBondContact O-N 3.11Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; Q133-E135 PolarHBondContact O-N 2.89Å; E135-K138 WeakPolarHBondContact OE1-CE 3.49Å; E135-K138 IonicContact OE1-NZ 2.92Å; E135-K138 PolarHBondContact OE1-NZ 3.04Å; E135-K138 WeakPolarHBondContact OE2-CE 3.44Å; E135-K138 IonicContact OE2-NZ 3.59Å; E135-K138 PolarHBondContact OE2-NZ 3.43Å; E135-K139 WeakPolarHBondContact O-CG 3.35Å; E135-K139 PolarHBondContact O-N 3.17Å; E135-K139 WeakPolarHBondContact OE1-CE 3.12Å
136V93.4Very high91.2Very high98 Ų9897.6 Ų97.659%0.59450%0.498SS*.Hα-helixtrans-66.5-45.5171.9171.40000110.8A132 Q133 K138 K139 H140A132-V136 WeakPolarHBondContact O-CG2 3.19Å; A132-V136 PolarHBondContact O-N 2.98Å; A132-V136 VanDerWaalsContact O-N 3.14Å; Q133-V136 WeakPolarHBondContact O-CB 3.42Å; Q133-V136 PolarHBondContact O-N 2.94Å; Q133-V136 VanDerWaalsContact O-N 3.14Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.16Å; V136-K139 PolarHBondContact O-N 3.16Å; V136-H140 WeakPolarHBondContact O-CB 3.48Å; V136-H140 PolarHBondContact O-N 3.2Å
137E91.2Very high90.7Very high95 Ų9595.3 Ų95.344%0.44449%0.49SS..Hα-helixtrans-60.6-41.6176.1-71.2172.7-173.300111.4Q133 T134 H140 L141Q133-E137 PolarHBondContact NE2-OE1 3.08Å; Q133-E137 WeakPolarHBondContact O-CG 3.41Å; Q133-E137 PolarHBondContact O-N 3.31Å; T134-E137 PolarHBondContact O-N 2.86Å; E137-H140 WeakPolarHBondContact O-CB 3.36Å; E137-H140 PolarHBondContact O-N 3.49Å; E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.5Å
138K93.1Very high90.3Very high86 Ų8696.9 Ų96.937%0.37449%0.492SS..Hα-helixtrans-60-50.3174.6-169.7-164.478.8-163.90111.6T134 E135 V136 H140 L141 E142T134-K138 WeakPolarHBondContact O-CB 3.47Å; T134-K138 PolarHBondContact O-N 2.95Å; E135-K138 WeakPolarHBondContact OE1-CE 3.49Å; E135-K138 IonicContact OE1-NZ 2.92Å; E135-K138 PolarHBondContact OE1-NZ 3.04Å; E135-K138 WeakPolarHBondContact OE2-CE 3.44Å; E135-K138 IonicContact OE2-NZ 3.59Å; E135-K138 PolarHBondContact OE2-NZ 3.43Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.16Å; K138-H140 VanDerWaalsContact C-N 3.27Å; K138-H140 PolarHBondContact O-N 3.2Å; K138-L141 PolarHBondContact O-N 3.39Å; K138-L141 VanDerWaalsContact O-N 3.14Å; K138-E142 VanDerWaalsContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 3.32Å
139K92.9Very high89.5Confident122 Ų12297.8 Ų97.853%0.5349%0.494SS..Hα-helixtrans-60.7-37.1177.2-74.3175-178171.90112.1E135 V136 F143E135-K139 WeakPolarHBondContact O-CG 3.35Å; E135-K139 PolarHBondContact O-N 3.17Å; E135-K139 WeakPolarHBondContact OE1-CE 3.12Å; V136-K139 PolarHBondContact O-N 3.16Å; K139-F143 WeakPolarHBondContact O-CB 3.21Å; K139-F143 PolarHBondContact O-N 2.93Å
140H93.1Very high88.3Confident112 Ų112102.7 Ų102.752%0.51950%0.502SS..Hα-helixtrans-64.5-43.1174.7-178.363.5000111.9V136 E137 K138 F143 M144V136-H140 WeakPolarHBondContact O-CB 3.48Å; V136-H140 PolarHBondContact O-N 3.2Å; E137-H140 WeakPolarHBondContact O-CB 3.36Å; E137-H140 PolarHBondContact O-N 3.49Å; K138-H140 VanDerWaalsContact C-N 3.27Å; K138-H140 PolarHBondContact O-N 3.2Å; H140-F143 WeakPolarHBondContact O-CB 3.49Å; H140-F143 PolarHBondContact O-N 3.37Å; H140-M144 WeakPolarHBondContact O-CG 3.44Å; H140-M144 PolarHBondContact O-N 2.92Å
141L91.6Very high86.7Confident110 Ų110103.4 Ų103.458%0.57651%0.507SS*.Hα-helixtrans-66.3-41.1175.9-71.4170.9000112.5E137 K138 F143 M144 L145E137-L141 WeakPolarHBondContact O-CG 3.29Å; E137-L141 PolarHBondContact O-N 3.5Å; K138-L141 PolarHBondContact O-N 3.39Å; K138-L141 VanDerWaalsContact O-N 3.14Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 2.9Å; L141-M144 PolarHBondContact O-N 3.33Å; L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 3.48Å
142E91.3Very high84.9Confident94 Ų94102.7 Ų102.744%0.43950%0.502SS..Hα-helixtrans-59-44.1173.6-73.9171.3174.400110.9K138 L145 D146K138-E142 VanDerWaalsContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact CE-OE1 3.26Å; K138-E142 WeakPolarHBondContact O-CG 3.37Å; K138-E142 PolarHBondContact O-N 3.32Å; E142-L145 PolarHBondContact O-N 3.32Å; E142-D146 PolarHBondContact O-N 3.19Å
143F90.8Very high82.9Confident125 Ų125104.2 Ų104.255%0.54851%0.51SS..Hα-helixtrans-62.6-43.7174.5177.2-103.3000112.8K139 H140 L141 L145 D146 L147K139-F143 WeakPolarHBondContact O-CB 3.21Å; K139-F143 PolarHBondContact O-N 2.93Å; H140-F143 WeakPolarHBondContact O-CB 3.49Å; H140-F143 PolarHBondContact O-N 3.37Å; L141-F143 VanDerWaalsContact C-N 3.31Å; L141-F143 PolarHBondContact O-N 2.9Å; F143-L145 VanDerWaalsContact C-N 3.31Å; F143-L145 PolarHBondContact O-N 2.78Å; F143-D146 PolarHBondContact O-N 2.72Å; F143-L147 HydrophobicContact CD1-CD1 3.8Å; F143-L147 HydrophobicContact CE1-CD1 3.32Å; F143-L147 HydrophobicContact CE1-CG 4.34Å; F143-L147 HydrophobicContact CE2-CD1 4.44Å; F143-L147 HydrophobicContact CZ-CD1 3.69Å; F143-L147 HydrophobicContact CZ-CG 4.3Å; F143-L147 PolarHBondContact O-N 3.29Å
144M87.9Confident80.7Confident100 Ų100103.5 Ų103.549%0.49352%0.516SS..Hα-helixtrans-62.8-36.4175.3-74.5-65.3-62.900112.3H140 L141 L147 K148H140-M144 WeakPolarHBondContact O-CG 3.44Å; H140-M144 PolarHBondContact O-N 2.92Å; L141-M144 PolarHBondContact O-N 3.33Å; M144-L147 HydrophobicContact SD-CD1 4.36Å; M144-K148 PolarHBondContact O-N 3.38Å; M144-K148 VanDerWaalsContact O-N 3.14Å
145L85.4Confident78.3Confident106 Ų106106.8 Ų106.856%0.55553%0.532SS*.Hα-helixtrans-67.8-39.6174.1-78.7169.4000112L141 E142 F143 K148 K149L141-L145 WeakPolarHBondContact O-CB 3.45Å; L141-L145 WeakPolarHBondContact O-CG 3.33Å; L141-L145 PolarHBondContact O-N 3.48Å; E142-L145 PolarHBondContact O-N 3.32Å; F143-L145 VanDerWaalsContact C-N 3.31Å; F143-L145 PolarHBondContact O-N 2.78Å; L145-K148 PolarHBondContact O-N 2.9Å; L145-K149 PolarHBondContact O-N 3.39Å
146D85.9Confident75.6Confident79 Ų79110.1 Ų110.142%0.42255%0.552SS.*Hα-helixtrans-65.3-38.8176.3-79.3-17.5000112.4E142 F143 K149 Y150E142-D146 PolarHBondContact O-N 3.19Å; F143-D146 PolarHBondContact O-N 2.72Å; D146-K149 WeakPolarHBondContact O-CB 3.33Å; D146-K149 PolarHBondContact O-N 3.47Å; D146-K149 WeakPolarHBondContact OD1-CE 3.38Å; D146-K149 IonicContact OD1-NZ 2.66Å; D146-K149 PolarHBondContact OD1-NZ 3.08Å; D146-Y150 VanDerWaalsContact O-CD2 3.25Å; D146-Y150 WeakPolarHBondContact O-CD2 3.46Å
147L82.6Confident72.8Confident80 Ų80110.9 Ų110.942%0.41956%0.56SS.*Hα-helixtrans-60-45.3171.1-83.2158.8000111.9F143 M144 K149 Y150F143-L147 HydrophobicContact CD1-CD1 3.8Å; F143-L147 HydrophobicContact CE1-CD1 3.32Å; F143-L147 HydrophobicContact CE1-CG 4.34Å; F143-L147 HydrophobicContact CE2-CD1 4.44Å; F143-L147 HydrophobicContact CZ-CD1 3.69Å; F143-L147 HydrophobicContact CZ-CG 4.3Å; F143-L147 PolarHBondContact O-N 3.29Å; M144-L147 HydrophobicContact SD-CD1 4.36Å; L147-K149 PolarHBondContact O-N 3.46Å; L147-Y150 PolarHBondContact O-N 3.37Å
148K80.7Confident70Confident127 Ų127114 Ų11455%0.55258%0.58SS**Hα-helixtrans-62.6-26.1-178.6-165.1174.1-176.7177.30113.2M144 L145 Y150 D151 I152M144-K148 PolarHBondContact O-N 3.38Å; M144-K148 VanDerWaalsContact O-N 3.14Å; L145-K148 PolarHBondContact O-N 2.9Å; K148-Y150 PolarHBondContact O-N 3.04Å; K148-D151 PolarHBondContact O-N 2.91Å; K148-I152 HydrophobicContact CG-CD1 4.49Å; K148-I152 WeakPolarHBondContact O-CG1 3.46Å; K148-I152 PolarHBondContact O-N 3.47Å
149K74.7Confident67.3Low130 Ų130114.9 Ų114.957%0.56560%0.603SS**Hα-helixtrans-61-32173.7-67.6170.6-171.6166.20111.8L145 D146 L147 S153L145-K149 PolarHBondContact O-N 3.39Å; D146-K149 WeakPolarHBondContact O-CB 3.33Å; D146-K149 PolarHBondContact O-N 3.47Å; D146-K149 WeakPolarHBondContact OD1-CE 3.38Å; D146-K149 IonicContact OD1-NZ 2.66Å; D146-K149 PolarHBondContact OD1-NZ 3.08Å; L147-K149 PolarHBondContact O-N 3.46Å; K149-S153 PolarHBondContact O-OG 3.45Å
150Y67.2Low64.5Low181 Ų181117.6 Ų117.671%0.7162%0.617SS**Hα-helixtrans-80.1-29.9178.7-64.8-78.6000112.9D146 L147 K148 S153D146-Y150 VanDerWaalsContact O-CD2 3.25Å; D146-Y150 WeakPolarHBondContact O-CD2 3.46Å; L147-Y150 PolarHBondContact O-N 3.37Å; K148-Y150 PolarHBondContact O-N 3.04Å; Y150-S153 WeakPolarHBondContact CA-OG 3.46Å; Y150-S153 PolarHBondContact O-N 2.91Å; Y150-S153 PolarHBondContact O-OG 2.97Å
151D59.3Low61.8Low111 Ų111120.6 Ų120.659%0.59463%0.629SS**Hα-helixtrans-68.7-30.3175.4-74.7-22.2000113.1K148 S153 S154K148-D151 PolarHBondContact O-N 2.91Å; D151-S153 VanDerWaalsContact C-N 3.31Å; D151-S153 PolarHBondContact O-N 3.37Å; D151-S154 PolarHBondContact O-OG 3.06Å
152I54.3Low59.3Low102 Ų102123.5 Ų123.552%0.52364%0.639SS.*Hα-helixtrans-74-24.8179.5-62.3165.5000111.4K148 S154K148-I152 HydrophobicContact CG-CD1 4.49Å; K148-I152 WeakPolarHBondContact O-CG1 3.46Å; K148-I152 PolarHBondContact O-N 3.47Å; I152-S154 VanDerWaalsContact C-N 3.25Å; I152-S154 PolarHBondContact O-N 3.41Å
153S48.8Very low56.4Low91 Ų91123.6 Ų123.664%0.63665%0.65SS**THydrogen-bonded Turntrans-70.7-13.3178.1-2.40000114.5K149 Y150 D151K149-S153 PolarHBondContact O-OG 3.45Å; Y150-S153 WeakPolarHBondContact CA-OG 3.46Å; Y150-S153 PolarHBondContact O-N 2.91Å; Y150-S153 PolarHBondContact O-OG 2.97Å; D151-S153 VanDerWaalsContact C-N 3.31Å; D151-S153 PolarHBondContact O-N 3.37Å
154S45.1Very low53.6Low90 Ų90122.7 Ų122.763%0.62966%0.66SS**THydrogen-bonded Turntrans-103.9-3.6-176.4800000115.2D151 I152D151-S154 PolarHBondContact O-OG 3.06Å; I152-S154 VanDerWaalsContact C-N 3.25Å; I152-S154 PolarHBondContact O-N 3.41Å
155N42.7Very low50.9Low131 Ų131127.9 Ų127.970%0.70168%0.68SS**SBendtrans-127.527.8-169.3-81.7-24.9000115.9
156N36.7Very low48.4Very low143 Ų143131.4 Ų131.477%0.76569%0.691SS**  trans-118.474.3173.6-84-11.5000112
157C33.2Very low45.8Very low113 Ų113135.5 Ų135.576%0.76471%0.707SS**  trans-123.7132.7150.9-740000107
158D32.8Very low43.5Very low161 Ų161137.8 Ų137.886%0.86172%0.719SS**SBendtrans79.391.6164.8-44.8-34.7000117.6
159A37.3Very low41Very low104 Ų104139.1 Ų139.186%0.8673%0.727SS**  169.991.1122.300000112
160E33Very low39.1Very low179 Ų179139.9 Ų139.984%0.83674%0.738SS**  trans-82.7128.6151.8-71-175.7161.400108.9
161K36.6Very low37.5Very low176 Ų176139.1 Ų139.177%0.76575%0.745SS**  159.3147128.1-85.6165-175.8175.20113
162H39.5Very low36.7Very low170 Ų170139.4 Ų139.479%0.78775%0.753SS**  trans100.982.4160.9-59.7-60.8000118.6
163S30.1Very low35.8Very low96 Ų96140.2 Ų140.267%0.67177%0.766SS**  trans-5.9139.4131.158.50000119.4
164S31.3Very low34.8Very low107 Ų107143.2 Ų143.275%0.74877%0.771SS**  trans102.8100.6145.9-45.10000117.1
165F32.2Very low34.3Very low209 Ų209147.5 Ų147.592%0.91778%0.784SS**  -169139.3128.7-132-105.4000112.5
166K31.9Very low33.6Very low180 Ų180146.6 Ų146.678%0.78378%0.783SS**  trans-78.5144178.8-67.7169171.5175.40111.6
167H31.8Very low33.3Very low164 Ų164143.4 Ų143.476%0.75978%0.776SS**  153.5147.3129.9-99.2-78.6000114.8
168L33.7Very low33.2Very low128 Ų128143.6 Ų143.667%0.6778%0.778SS**  trans74.5114.1157.6-95.550.6000117.1
169E29.9Very low33Very low156 Ų156142.9 Ų142.973%0.72978%0.779SS**  60.4116.487.2-71.5175.717200109.5
170D34.4Very low32.7Very low146 Ų146146.1 Ų146.178%0.78178%0.781SS**  cis-162.1147.942.5-78-51.5000111.4
171D32Very low32.5Very low164 Ų164141.1 Ų141.188%0.87778%0.778SS**PPolyproline II helixtrans-62.4137.2162.3-72.3-49.5000111.1
172P43.3Very low32.3Very low117 Ų117141 Ų14176%0.7679%0.785SS**PPolyproline II helixtrans-95.413715733-24.9000110.2
173P34.9Very low31.7Very low120 Ų120141.8 Ų141.878%0.77979%0.791SS**PPolyproline II helixtrans-79.8150.1-163.332-34.8000113.2M175P173-M175 PolarHBondContact O-N 2.98Å; P173-M175 VanDerWaalsContact O-N 3.15Å
174M29.3Very low31.7Very low154 Ų154143.1 Ų143.176%0.75980%0.801SS**  trans-34.7106.2157.1-166.6-174.469.700113.1V176M174-V176 HydrophobicContact CE-CB 4.48Å; M174-V176 HydrophobicContact CE-CG1 4.44Å; M174-V176 HydrophobicContact CE-CG2 3.27Å; M174-V176 HydrophobicContact CG-CG1 4.39Å; M174-V176 HydrophobicContact CG-CG2 4.13Å; M174-V176 PolarHBondContact O-N 3.29Å; M174-V176 HydrophobicContact SD-CG1 4.43Å; M174-V176 HydrophobicContact SD-CG2 4.2Å
175M33.6Very low31.6Very low180 Ų180142.9 Ų142.989%0.88780%0.799SS**  trans-84.984.4159.5-89.4-121.1-85.100109.2P173 A177P173-M175 PolarHBondContact O-N 2.98Å; P173-M175 VanDerWaalsContact O-N 3.15Å; M175-A177 PolarHBondContact O-N 3.25Å
176V28.8Very low31.4Very low112 Ų112139.1 Ų139.168%0.67980%0.795SS**  trans-79.997.6153.2-93.90000107.3M174M174-V176 HydrophobicContact CE-CB 4.48Å; M174-V176 HydrophobicContact CE-CG1 4.44Å; M174-V176 HydrophobicContact CE-CG2 3.27Å; M174-V176 HydrophobicContact CG-CG1 4.39Å; M174-V176 HydrophobicContact CG-CG2 4.13Å; M174-V176 PolarHBondContact O-N 3.29Å; M174-V176 HydrophobicContact SD-CG1 4.43Å; M174-V176 HydrophobicContact SD-CG2 4.2Å
177A29.8Very low31.2Very low75 Ų75136.9 Ų136.962%0.6279%0.792SS**  trans-122.199.3164.800000107.9M175 V179M175-A177 PolarHBondContact O-N 3.25Å; A177-V179 PolarHBondContact O-N 3.01Å
178S30.7Very low30.9Very low117 Ų117137.4 Ų137.482%0.81880%0.795SS**  trans-23.296.4171.4-560000115.5L180S178-L180 PolarHBondContact O-N 3.21Å
179V29.6Very low30.7Very low146 Ų146139.7 Ų139.789%0.88581%0.807SS**  trans-89.579.3153.8179.40000106.7A177A177-V179 PolarHBondContact O-N 3.01Å
180L29.4Very low30.5Very low172 Ų172139.3 Ų139.390%0.90181%0.809SS**  trans-158.4106.9172.4-103158.4000107S178S178-L180 PolarHBondContact O-N 3.21Å
181G29.7Very low30.1Very low75 Ų75139.5 Ų139.577%0.77382%0.816SS**  trans159-4.9170.400000118.6
182L31.8Very low29.7Very low173 Ų173135.6 Ų135.691%0.90680%0.802SS**SBendtrans-111.798.2171.1-66.9176.5000108.2
183M27.7Very low28.9Very low186 Ų186136.9 Ų136.992%0.91680%0.802SS**  trans141.783.5167-73.4-103.7137.300108.2
184S30.5Very low28.4Very low125 Ų125138.6 Ų138.687%0.87480%0.8SS**  trans-144.5107.5158.1-73.80000108.2
185S29.5Very low28.3Very low101 Ų101138.1 Ų138.171%0.70681%0.805SS**  trans-46.5145.7177.8-44.90000113.5N187S185-N187 PolarHBondContact O-N 3.46Å
186P27.3Very low28.1Very low130 Ų130134.8 Ų134.884%0.84479%0.791SS**  trans-85.987.7161.532.8-25.3000108
187N27.4Very low27.9Very low133 Ų133138.9 Ų138.971%0.71179%0.794SS**  trans-140.9130.7166.1-90.6-23.8000110.1S185S185-N187 PolarHBondContact O-N 3.46Å
188H25.1Very low27.8Very low176 Ų176144.8 Ų144.882%0.81581%0.806SS**  trans77.982.4174.1-56.8-74.9000117.7
189L29.6Very low27.5Very low176 Ų176144.1 Ų144.192%0.92179%0.793SS**  trans-134.4105138.6-94.9159.6000109T191L189-T191 PolarHBondContact O-N 3.4Å
190N26.6Very low27.7Very low147 Ų147142.7 Ų142.779%0.78679%0.785SS**  trans-14.6112.9168.7-77.3-32.2000116.4S192N190-S192 VanDerWaalsContact C-N 3.32Å; N190-S192 PolarHBondContact O-N 2.89Å
191T24.8Very low27.5Very low150 Ų150142.2 Ų142.292%0.9278%0.778SS**  trans-64.692.714751.10000108.5L189L189-T191 PolarHBondContact O-N 3.4Å
192S25.2Very low27.6Very low83 Ų83145.1 Ų145.158%0.5878%0.775SS**  trans-151.7106.7165.6177.80000108.3N190N190-S192 VanDerWaalsContact C-N 3.32Å; N190-S192 PolarHBondContact O-N 2.89Å
193N25.7Very low27.4Very low143 Ų143144.5 Ų144.577%0.76577%0.765SS**  trans52.990.1146.8-57.5-20.9000117.8
194H24.9Very low27.2Very low157 Ų157144 Ų14473%0.72776%0.758SS**  -161.787.4123.5-121.4-79.3000110D196H194-D196 VanDerWaalsContact C-N 3.25Å; H194-D196 VanDerWaalsContact CE1-CG 3.5Å; H194-D196 IonicContact CE1-OD1 2.94Å; H194-D196 IonicContact CE1-OD2 3Å; H194-D196 PolarHBondContact CE1-OD2 3.45Å; H194-D196 IonicContact ND1-OD1 2.67Å; H194-D196 IonicContact ND1-OD2 3.46Å; H194-D196 PolarHBondContact ND1-OD2 3.04Å; H194-D196 PolarHBondContact O-N 2.94Å
195V27.4Very low27Very low144 Ų144149.9 Ų149.987%0.87376%0.761SS**  trans-8180.8161.6179.90000106.3
196D28Very low26.7Very low109 Ų109153.2 Ų153.258%0.58376%0.763SS**  trans-104.385.4167.1-89.9-8.9000109.7H194 F198H194-D196 VanDerWaalsContact C-N 3.25Å; H194-D196 VanDerWaalsContact CE1-CG 3.5Å; H194-D196 IonicContact CE1-OD1 2.94Å; H194-D196 IonicContact CE1-OD2 3Å; H194-D196 PolarHBondContact CE1-OD2 3.45Å; H194-D196 IonicContact ND1-OD1 2.67Å; H194-D196 IonicContact ND1-OD2 3.46Å; H194-D196 PolarHBondContact ND1-OD2 3.04Å; H194-D196 PolarHBondContact O-N 2.94Å; D196-F198 PolarHBondContact O-N 3.31Å
197R24.9Very low26.5Very low199 Ų199152.7 Ų152.775%0.75176%0.76SS**  22.585.9119-159.8177-162.7158.95.8115.5D199R197-D199 VanDerWaalsContact C-N 3.34Å; R197-D199 HydrophobicContact CG-CB 4.24Å; R197-D199 IonicContact CZ-OD2 3.29Å; R197-D199 IonicContact NE-OD2 2.68Å; R197-D199 PolarHBondContact NE-OD2 2.85Å; R197-D199 IonicContact NH2-OD2 2.76Å; R197-D199 PolarHBondContact NH2-OD2 2.87Å; R197-D199 PolarHBondContact O-N 3.27Å
198F26.8Very low26.6Very low199 Ų199152.2 Ų152.287%0.87376%0.762SS**  trans-94.275148.7-89.7-84.7000109.3D196 V200D196-F198 PolarHBondContact O-N 3.31Å; F198-V200 HydrophobicContact CD1-CG2 4.29Å; F198-V200 PolarHBondContact O-N 3.24Å
199D26.3Very low26.5Very low102 Ų102149.9 Ų149.955%0.54576%0.76SS.*  trans-65.7100.7152.3-95.7-44.3000107.3R197R197-D199 VanDerWaalsContact C-N 3.34Å; R197-D199 HydrophobicContact CG-CB 4.24Å; R197-D199 IonicContact CZ-OD2 3.29Å; R197-D199 IonicContact NE-OD2 2.68Å; R197-D199 PolarHBondContact NE-OD2 2.85Å; R197-D199 IonicContact NH2-OD2 2.76Å; R197-D199 PolarHBondContact NH2-OD2 2.87Å; R197-D199 PolarHBondContact O-N 3.27Å
200V33.6Very low26.5Very low117 Ų117147.2 Ų147.271%0.70975%0.751SS**  trans-105.974.9158.5-171.80000108.1F198 N202F198-V200 HydrophobicContact CD1-CG2 4.29Å; F198-V200 PolarHBondContact O-N 3.24Å; V200-N202 HydrophobicContact CG1-CB 4.35Å; V200-N202 PolarHBondContact O-N 3.07Å
201H25.3Very low26.6Very low162 Ų162146.1 Ų146.175%0.7575%0.75SS**  trans-66.9100.3150.7-113.473.3000107.9
202N30.8Very low26.6Very low135 Ų135144.9 Ų144.972%0.72274%0.742SS**  trans-145.782.2157.4-135.24.5000107.7V200V200-N202 HydrophobicContact CG1-CB 4.35Å; V200-N202 PolarHBondContact O-N 3.07Å
203K27.3Very low26.7Very low161 Ų161147.6 Ų147.670%0.776%0.756SS**  56.6109.696.9-78.4-175.3177.1176.80113
204F24.2Very low26.7Very low174 Ų174146.2 Ų146.276%0.76375%0.753SS**  trans65.1131.2157.4-83.1-109.1000114.8
205W26.6Very low26.7Very low249 Ų249143.5 Ų143.594%0.94376%0.758SS**  -172.4130.1119-97.743.5000107.7
206K23.5Very low26.6Very low172 Ų172141.8 Ų141.875%0.74875%0.752SS**  trans-71.5158.5-172.1-72.9176.4176.2179.70111.2T208K206-T208 PolarHBondContact O-N 3.42Å
207P23.5Very low26.3Very low119 Ų119141.6 Ų141.677%0.77376%0.759SS**  trans-69.5121176.429.5-32000109.4T209P207-T209 PolarHBondContact O-N 3.06Å; P207-T209 VanDerWaalsContact O-N 3.16Å
208T27.5Very low26.4Very low122 Ų122141.7 Ų141.775%0.74877%0.765SS**  trans-78.3101170.9-53.50000108.7K206 T210K206-T208 PolarHBondContact O-N 3.42Å; T208-T210 HydrophobicContact CG2-CG2 4.3Å
209T24.7Very low26.2Very low128 Ų128137.1 Ų137.179%0.78576%0.758SS**  trans-67.2118.7158.7380000109.2P207P207-T209 PolarHBondContact O-N 3.06Å; P207-T209 VanDerWaalsContact O-N 3.16Å
210T29.4Very low26.1Very low119 Ų119137 Ų13773%0.7376%0.763SS**  trans-112.496.3161.737.70000110.1T208T208-T210 HydrophobicContact CG2-CG2 4.3Å
211T28.6Very low25.7Very low124 Ų124141.2 Ų141.276%0.76177%0.767SS**  trans53.498.7132.1350000119.7
212T24.4Very low25.6Very low124 Ų124140.6 Ų140.676%0.76177%0.77SS**  trans-25.7129.1136.1-39.30000113.9T214T212-T214 HydrophobicContact CG2-CG2 4.22Å
213T26.6Very low25.3Very low140 Ų140142.9 Ų142.986%0.85978%0.776SS**  trans-125.7126.7145.5-64.20000107.8
214T27.1Very low25.2Very low115 Ų115142.8 Ų142.871%0.70678%0.782SS**  trans-74.2142.6-169.938.90000113.8T212T212-T214 HydrophobicContact CG2-CG2 4.22Å
215A23.7Very low25.3Very low100 Ų100141.8 Ų141.883%0.82678%0.78SS**  trans45.1110.8139.200000119.2
216S25.1Very low25.4Very low108 Ų108134.9 Ų134.976%0.75576%0.759SS**  -153.7134.2122.948.90000111F218S216-F218 PolarHBondContact O-N 3.16Å
217S23.3Very low25.4Very low105 Ų105130.6 Ų130.673%0.73475%0.751SS**  trans-48.6113.3173.848.20000113.7
218F25.3Very low25.5Very low201 Ų201126.7 Ų126.788%0.88273%0.733SS**  trans-151.4120.1157.4-93.5-75.2000111.9S216S216-F218 PolarHBondContact O-N 3.16Å
219S23.8Very low25.5Very low103 Ų103124.5 Ų124.572%0.7272%0.716SS**  trans14.4122.2164.2-153.40000119.8
220P23.4Very low25.6Very low100 Ų100120.5 Ų120.565%0.64969%0.689SS**SBendtrans-70.2165.3160.133.9-29.6000108.7
221Y25.3Very low25.5Very low204 Ų204119.3 Ų119.380%0.868%0.678SS**SBendtrans7999.6-172.7-51.4-80.6000113.5
222N24.3Very low25.5Very low150 Ų150118.2 Ų118.280%0.80267%0.671SS**SBendtrans146.5-7.9144.5-69.7-20.1000115.8
223H23.1Very low25.7Very low182 Ų182114.1 Ų114.184%0.84365%0.647SS**SBendtrans-118.6-5.7-177.7-89.2-74.4000117.4
224L25.7Very low25.9Very low159 Ų159108.3 Ų108.383%0.83261%0.611SS**SBendtrans-98.9-8.7-178.2-90.790.9000115.9M226L224-M226 PolarHBondContact O-N 3.41Å
225E26.7Very low26.1Very low153 Ų153104.4 Ų104.472%0.71559%0.585SS**THydrogen-bonded Turntrans-78.5-18.5-169.7-72.4-169.8158.200115.4I229E225-I229 VanDerWaalsContact O-CD1 3.29Å; E225-I229 WeakPolarHBondContact O-CD1 3.43Å
226M27.7Very low26.3Very low104 Ų104103.9 Ų103.951%0.51257%0.569SS.*THydrogen-bonded Turntrans-100.8-23-173.3-83-83.8-8500114.6L224L224-M226 PolarHBondContact O-N 3.41Å
227S23.4Very low26.5Very low82 Ų82101.7 Ų101.757%0.57356%0.558SS**Hα-helixtrans-77.2-30179.5155.10000112.7N231S227-N231 PolarHBondContact O-ND2 2.7Å
228G25.8Very low27Very low38 Ų38100.3 Ų100.339%0.39254%0.542SS..Hα-helixtrans-76.9-31.9-179.300000114.4N231 T232G228-N231 PolarHBondContact O-N 3.07Å; G228-T232 PolarHBondContact O-N 3.43Å; G228-T232 PolarHBondContact O-OG1 3.16Å
229I28Very low27.1Very low76 Ų7696.1 Ų96.139%0.3953%0.526SS..Hα-helixtrans-74.7-32.6-174.2-59.8173.9000111.6E225 S233E225-I229 VanDerWaalsContact O-CD1 3.29Å; E225-I229 WeakPolarHBondContact O-CD1 3.43Å; I229-S233 PolarHBondContact O-OG 3.46Å
230M27.6Very low27.3Very low44 Ų4495.9 Ų95.922%0.21752%0.517CS..Hα-helixtrans-77-27.7175.7-65.7-153-152.600113.4L234 F371 S409M230-L234 WeakPolarHBondContact O-CB 3.41Å; M230-F371 HydrophobicContact CE-CE1 3.54Å; M230-F371 HydrophobicContact CE-CZ 3.45Å; M230-F371 VanDerWaalsContact CE-CZ 3.45Å; M230-F371 HydrophobicContact SD-CE1 3.96Å; M230-F371 HydrophobicContact SD-CZ 4.28Å; M230-S409 WeakPolarHBondContact CE-OG 3.33Å
231N26.6Very low27.4Very low94 Ų9494 Ų9450%0.50351%0.507SS..Hα-helixtrans-83.9-23.7-173.9-78.6-17000114.2S227 G228S227-N231 PolarHBondContact O-ND2 2.7Å; G228-N231 PolarHBondContact O-N 3.07Å
232T28.7Very low27.5Very low101 Ų10190.3 Ų90.362%0.6250%0.5SS*.Hα-helixtrans-109.9-4.5-175.665.70000114.7G228G228-T232 PolarHBondContact O-N 3.43Å; G228-T232 PolarHBondContact O-OG1 3.16Å
233S28.4Very low27.5Very low38 Ų3887.4 Ų87.427%0.26649%0.491SS..Hα-helixtrans-122.7-20.2-175.5730000114.9I229I229-S233 PolarHBondContact O-OG 3.46Å
234L31.5Very low27.7Very low18 Ų1884.3 Ų84.39%0.09449%0.485CS..SBendtrans-97.1-11.8-173.3-160.472.9000113.5M230 V363 L405M230-L234 WeakPolarHBondContact O-CB 3.41Å; L234-V363 HydrophobicContact CD2-CG1 4.18Å; L234-L405 HydrophobicContact CB-CD1 4.42Å; L234-L405 HydrophobicContact CD1-CB 3.9Å; L234-L405 HydrophobicContact CD1-CD1 3.39Å; L234-L405 HydrophobicContact CD1-CG 4.28Å
235L31.5Very low27.7Very low32 Ų3282.3 Ų82.317%0.16848%0.475CS..SBendtrans-138-18.2-167.7-73.5154.4000116.6R324 V363 K367L235-R324 VanDerWaalsContact CD2-NH1 3.29Å; L235-V363 HydrophobicContact CD2-CG1 3.96Å; L235-V363 HydrophobicContact CG-CG1 4.47Å; L235-K367 HydrophobicContact CD1-CD 4.43Å; L235-K367 VanDerWaalsContact CD1-NZ 3.28Å
236D27.2Very low27.6Very low89 Ų8984.4 Ų84.448%0.47648%0.476SS..THydrogen-bonded Turntrans-83.5-20-178.8-63.9-29.1000112.6D238 M239D236-D238 PolarHBondContact O-N 2.98Å; D236-M239 PolarHBondContact O-N 3.44Å
237A30.4Very low27.5Very low63 Ų6386.2 Ų86.252%0.52149%0.488SS..Hα-helixtrans-70.8-17179.300000114.2S241A237-S241 PolarHBondContact O-OG 3.34Å
238D32.1Very low27.7Very low75 Ų7593.2 Ų93.240%0.40150%0.502SS..Hα-helixtrans-88-10.7178.4-93.4-15.1000113.5D236D236-D238 PolarHBondContact O-N 2.98Å
239M29.1Very low27.6Very low113 Ų11397.3 Ų97.356%0.55752%0.515SS*.Hα-helixtrans-97.6-33.5177.1-73-66.7-69.800113.1D236 S241D236-M239 PolarHBondContact O-N 3.44Å; M239-S241 PolarHBondContact O-N 2.88Å
240D26.4Very low27.6Very low98 Ų9899.8 Ų99.852%0.52454%0.536SS..Hα-helixtrans-79.4-17.7-176.9-69.6-22.9000113.8L242 S243D240-L242 PolarHBondContact O-N 2.92Å; D240-S243 PolarHBondContact O-N 2.9Å; D240-S243 PolarHBondContact O-OG 2.87Å
241S26.4Very low27.7Very low62 Ų62102.6 Ų102.643%0.43456%0.56SS.*THydrogen-bonded Turntrans-75-4179.7-56.70000114.2A237 M239 S243A237-S241 PolarHBondContact O-OG 3.34Å; M239-S241 PolarHBondContact O-N 2.88Å; S241-S243 VanDerWaalsContact C-N 3.32Å
242L26.6Very low27.8Very low126 Ų126105.9 Ų105.966%0.6657%0.572SS**THydrogen-bonded Turntrans-84.2-5.4174.1-70.5171.5000113.4D240D240-L242 PolarHBondContact O-N 2.92Å
243S25.1Very low27.8Very low88 Ų88109.6 Ų109.662%0.61558%0.58SS**SBendtrans-102.1-6.4-179.568.50000114.7D240 S241D240-S243 PolarHBondContact O-N 2.9Å; D240-S243 PolarHBondContact O-OG 2.87Å; S241-S243 VanDerWaalsContact C-N 3.32Å
244V26.3Very low27.5Very low118 Ų118117.2 Ų117.272%0.71561%0.611SS**SBendtrans-119.449.4-175.4-163.90000111.6
245N25.9Very low27.1Very low116 Ų116119.6 Ų119.662%0.6264%0.64SS**  trans-149.930.3168.4-110-11.8000112.8
246R24.7Very low26.7Very low198 Ų198126.7 Ų126.775%0.74768%0.677SS**SBendtrans-89.7-0.8-178.4-93-172.6-179.6178.21.7115.9
247N25.4Very low26.5Very low141 Ų141125.5 Ų125.575%0.75469%0.686SS**  trans-138.783.8178.4-80.6-11.1000110.9
248R27.4Very low26.2Very low229 Ų229129 Ų12986%0.86470%0.7SS**  trans-143.1126.9153.1-77.3-163.3-174.1-163.9-0.1109.4
249N24.9Very low25.8Very low124 Ų124133.6 Ų133.666%0.66372%0.719SS**  trans-60.2136.8-174-71.7-36.7000111.8S251N249-S251 PolarHBondContact O-N 3.19Å
250P27.9Very low25.5Very low129 Ų129139.3 Ų139.384%0.83873%0.734SS**THydrogen-bonded Turntrans-72.32.4177.3-16.830.6000115.5
251S29Very low25.5Very low102 Ų102138.7 Ų138.771%0.71373%0.731SS**THydrogen-bonded Turntrans-102.89.5-160.944.20000116.3N249N249-S251 PolarHBondContact O-N 3.19Å
252E30Very low25.4Very low163 Ų163139.7 Ų139.776%0.76274%0.738SS**  trans-107.311.1179.3-72.7-175.915600114.6Q254E252-Q254 PolarHBondContact O-N 3.24Å
253F26.9Very low25.7Very low180 Ų180139.6 Ų139.679%0.78973%0.734SS**  trans-104.261.2-173-106.4-89.3000113.1
254Q22.7Very low26.4Very low198 Ų198138.9 Ų138.993%0.92573%0.729SS**  trans-132.199.1165.1-86.1173.1-8.600109.8E252E252-Q254 PolarHBondContact O-N 3.24Å
255G22.5Very low27.6Very low68 Ų68135.2 Ų135.270%0.70171%0.705SS**SBendtrans136112.5172.400000112.9
256L23.9Very low29Very low181 Ų181134.5 Ų134.595%0.94870%0.695SS**  trans77.6104.5159.7-54.3163.1000117.5
257G22.6Very low30.9Very low63 Ų63126 Ų12665%0.64966%0.664SS**SBendtrans55.7112133.400000120.4
258V24.8Very low33Very low137 Ų137119.6 Ų119.683%0.8363%0.631SS**  trans60.365.9142.3-162.70000116.8
259H23.7Very low35.1Very low171 Ų171112.9 Ų112.979%0.79262%0.617SS**  trans-151.687155.3-81.6-66000110.9
260R23.3Very low37.3Very low233 Ų233110.3 Ų110.388%0.87962%0.62SS**  trans-118.4133.5165.1-83.4-172.3177.7-178.20.8109.7
261N25.7Very low39.7Very low86 Ų86105 Ų10546%0.4658%0.584SS.*  trans95.772.3160.6-56.2-11.2000118.2Q263N261-Q263 VanDerWaalsContact C-N 3.31Å; N261-Q263 PolarHBondContact O-N 3.26Å
262S24.7Very low41.9Very low82 Ų82105 Ų10557%0.57357%0.568SS**  trans-77.982.3137.3-60.20000108.8
263Q32.4Very low44.3Very low125 Ų125101.2 Ų101.258%0.58456%0.557SS**  trans-159114.4166.5-108.5163.832.900111.7N261 I265N261-Q263 VanDerWaalsContact C-N 3.31Å; N261-Q263 PolarHBondContact O-N 3.26Å; Q263-I265 PolarHBondContact O-N 2.98Å
264S39Very low46.9Very low73 Ų7394.1 Ų94.151%0.5153%0.527SS..SBendtrans-57.2124.7162.7-1740000108.5
265I52Low49.5Very low40 Ų4085.6 Ų85.621%0.20549%0.487CS..SBendtrans61.688.9-172.5-41.8176.9000112.9Q263 V267 L321Q263-I265 PolarHBondContact O-N 2.98Å; I265-V267 HydrophobicContact CB-CG2 4.4Å; I265-V267 HydrophobicContact CG2-CG2 3.55Å; I265-V267 PolarHBondContact O-N 3.38Å; I265-L321 HydrophobicContact CD1-CD1 4.2Å
266Y56.4Low52.1Low102 Ų10287.6 Ų87.640%0.448%0.478SS..  trans-62.3108.6159.6179.4-98.2000108.3P268 L353Y266-P268 HydrophobicContact CD1-CG 4.44Å; Y266-P268 HydrophobicContact CE1-CG 4.08Å; Y266-L353 HydrophobicContact CD1-CD1 4.35Å; Y266-L353 HydrophobicContact CG-CD1 4.45Å
267V64.2Low54.9Low18 Ų1882.2 Ų82.211%0.10945%0.449CS..  trans-102.2118.7170.2-175.50000107.1I265 L271 H275I265-V267 HydrophobicContact CB-CG2 4.4Å; I265-V267 HydrophobicContact CG2-CG2 3.55Å; I265-V267 PolarHBondContact O-N 3.38Å; V267-L271 HydrophobicContact CG1-CB 3.85Å; V267-H275 HydrophobicContact CG1-CB 3.89Å; V267-H275 HydrophobicContact CG2-CB 4.35Å
268P69.7Low57.6Low7 Ų779.2 Ų79.25%0.04542%0.418CS..  trans-51.1141.9174.4-29.237.5000111.3Y266 G270 L271 R272 E311Y266-P268 HydrophobicContact CD1-CG 4.44Å; Y266-P268 HydrophobicContact CE1-CG 4.08Å; P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.02Å; P268-G270 VanDerWaalsContact O-N 3.13Å; P268-L271 HydrophobicContact CB-CD1 4.49Å; P268-L271 HydrophobicContact CG-CD1 4.32Å; P268-L271 PolarHBondContact O-N 3.42Å; P268-R272 PolarHBondContact O-N 2.98Å; P268-E311 HydrophobicContact CB-CG 3.9Å; P268-E311 HydrophobicContact CG-CG 3.74Å
269P70.5Confident60.1Low88 Ų8874.8 Ų74.857%0.57139%0.39SS*.G310 helixtrans-51-41.6-173-28.934.9000114.2L271 R272P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.24Å; P269-R272 WeakPolarHBondContact O-CB 3.46Å; P269-R272 PolarHBondContact O-N 3.2Å
270G71.4Confident62.8Low71 Ų7172.1 Ų72.173%0.73237%0.373SS*.G310 helixtrans-65-24.7178.600000114.6P268P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.02Å; P268-G270 VanDerWaalsContact O-N 3.13Å
271L79.3Confident65.6Low17 Ų1764.9 Ų64.99%0.08935%0.346CS..G310 helixtrans-95.7-3.7-179.6-64.7179.2000113.4V267 P268 P269 T273 L274 H275 L301 E311 A314 L315V267-L271 HydrophobicContact CG1-CB 3.85Å; P268-L271 HydrophobicContact CB-CD1 4.49Å; P268-L271 HydrophobicContact CG-CD1 4.32Å; P268-L271 PolarHBondContact O-N 3.42Å; P269-L271 VanDerWaalsContact C-N 3.26Å; P269-L271 PolarHBondContact O-N 3.24Å; L271-T273 PolarHBondContact O-N 3.2Å; L271-L274 HydrophobicContact CD2-CD2 4.16Å; L271-L274 PolarHBondContact O-N 3.35Å; L271-H275 VanDerWaalsContact O-CB 3.31Å; L271-H275 WeakPolarHBondContact O-CB 3.35Å; L271-H275 PolarHBondContact O-N 3.4Å; L271-L301 HydrophobicContact CD1-CD1 4.44Å; L271-L301 HydrophobicContact CD2-CD1 4.36Å; L271-E311 HydrophobicContact CD1-CB 3.7Å; L271-E311 HydrophobicContact CD1-CG 3.98Å; L271-E311 WeakPolarHBondContact CD1-O 3.3Å; L271-A314 HydrophobicContact CD1-CB 4.44Å; L271-L315 HydrophobicContact CD1-CD1 4.15Å; L271-L315 HydrophobicContact CD1-CG 3.96Å; L271-L315 HydrophobicContact CD2-CD1 3.99Å; L271-L315 HydrophobicContact CD2-CD2 4.39Å; L271-L315 HydrophobicContact CD2-CG 4.32Å
272R74.1Confident68.2Low101 Ų10161.4 Ų61.438%0.38133%0.328SS..Hα-helixtrans-61.5-44.5-175.1-171.6-179-65.8154.9-0.7111.8P268 P269 H275 H276P268-R272 PolarHBondContact O-N 2.98Å; P269-R272 WeakPolarHBondContact O-CB 3.46Å; P269-R272 PolarHBondContact O-N 3.2Å; R272-H275 WeakPolarHBondContact O-CB 3.45Å; R272-H275 PolarHBondContact O-N 3Å; R272-H276 VanDerWaalsContact CG-CE1 3.46Å; R272-H276 WeakPolarHBondContact CG-CE1 3.28Å; R272-H276 PolarHBondContact O-N 3.24Å; R272-H276 PolarHBondContact O-ND1 2.91Å
273T79.8Confident70.8Confident84 Ų8462 Ų6252%0.51533%0.333SS..Hα-helixtrans-63.1-46.4179.3-45.80000111L271 H275 H276 I277L271-T273 PolarHBondContact O-N 3.2Å; T273-H275 VanDerWaalsContact C-N 3.34Å; T273-H275 PolarHBondContact O-N 2.91Å; T273-H276 PolarHBondContact O-N 3.1Å; T273-I277 HydrophobicContact CG2-CD1 4.06Å; T273-I277 VanDerWaalsContact O-CG1 3.28Å; T273-I277 WeakPolarHBondContact O-CG1 3.47Å; T273-I277 PolarHBondContact O-N 3.31Å
274L82.4Confident73.4Confident32 Ų3260.5 Ų60.517%0.16833%0.325CS..Hα-helixtrans-60.8-43.3177.5-171.570000111.9L271 I277 A278 L293 A297 L315L271-L274 HydrophobicContact CD2-CD2 4.16Å; L271-L274 PolarHBondContact O-N 3.35Å; L274-I277 PolarHBondContact O-N 2.96Å; L274-A278 WeakPolarHBondContact O-CB 3.3Å; L274-A278 PolarHBondContact O-N 3.31Å; L274-L293 HydrophobicContact CD1-CD1 3.63Å; L274-L293 HydrophobicContact CD1-CD2 3.73Å; L274-L293 HydrophobicContact CD1-CG 3.48Å; L274-L293 VanDerWaalsContact CD1-CG 3.48Å; L274-A297 HydrophobicContact CD2-CB 3.24Å; L274-L315 HydrophobicContact CD2-CD1 4.49Å; L274-L315 HydrophobicContact CD2-CD2 3.5Å; L274-L315 VanDerWaalsContact CD2-CD2 3.5Å; L274-L315 HydrophobicContact CG-CD2 4.37Å
275H76.5Confident75.6Confident18 Ų1859.2 Ų59.28%0.08332%0.323CS..Hα-helixtrans-57.8-48.3175.1175.782.1000112.2V267 L271 R272 T273 I277 A278 L279 I318V267-H275 HydrophobicContact CG1-CB 3.89Å; V267-H275 HydrophobicContact CG2-CB 4.35Å; L271-H275 VanDerWaalsContact O-CB 3.31Å; L271-H275 WeakPolarHBondContact O-CB 3.35Å; L271-H275 PolarHBondContact O-N 3.4Å; R272-H275 WeakPolarHBondContact O-CB 3.45Å; R272-H275 PolarHBondContact O-N 3Å; T273-H275 VanDerWaalsContact C-N 3.34Å; T273-H275 PolarHBondContact O-N 2.91Å; H275-I277 PolarHBondContact O-N 3.46Å; H275-A278 PolarHBondContact O-N 3.06Å; H275-L279 VanDerWaalsContact NE2-CD1 3.3Å; H275-L279 WeakPolarHBondContact NE2-CD1 3.38Å; H275-L279 WeakPolarHBondContact O-CG 3.44Å; H275-L279 PolarHBondContact O-N 2.96Å; H275-I318 HydrophobicContact CB-CD1 3.83Å; H275-I318 WeakPolarHBondContact ND1-CD1 3.38Å; H275-I318 VanDerWaalsContact ND1-CG1 3.3Å; H275-I318 WeakPolarHBondContact ND1-CG1 3.37Å
276H77Confident77.3Confident111 Ų11162.3 Ų62.351%0.51434%0.335SS..Hα-helixtrans-63.2-40.7177.3-72.898.5000112.2R272 T273 R280R272-H276 VanDerWaalsContact CG-CE1 3.46Å; R272-H276 WeakPolarHBondContact CG-CE1 3.28Å; R272-H276 PolarHBondContact O-N 3.24Å; R272-H276 PolarHBondContact O-ND1 2.91Å; T273-H276 PolarHBondContact O-N 3.1Å; H276-R280 VanDerWaalsContact O-CB 3.3Å; H276-R280 WeakPolarHBondContact O-CB 3.46Å; H276-R280 PolarHBondContact O-N 2.94Å
277I82.9Confident78.8Confident67 Ų6759.5 Ų59.534%0.34433%0.326SS..Hα-helixtrans-63.1-47.3177.3-68167.5000110.6T273 L274 H275 L279 R280 Y281 L293T273-I277 HydrophobicContact CG2-CD1 4.06Å; T273-I277 VanDerWaalsContact O-CG1 3.28Å; T273-I277 WeakPolarHBondContact O-CG1 3.47Å; T273-I277 PolarHBondContact O-N 3.31Å; L274-I277 PolarHBondContact O-N 2.96Å; H275-I277 PolarHBondContact O-N 3.46Å; I277-L279 PolarHBondContact O-N 3.36Å; I277-R280 PolarHBondContact O-N 2.74Å; I277-Y281 HydrophobicContact CG2-CD2 3.53Å; I277-Y281 HydrophobicContact CG2-CE2 3.39Å; I277-Y281 VanDerWaalsContact O-CD2 3.27Å; I277-Y281 WeakPolarHBondContact O-CD2 3.43Å; I277-Y281 PolarHBondContact O-N 3.47Å; I277-L293 HydrophobicContact CB-CD2 4.26Å; I277-L293 HydrophobicContact CG2-CD2 3.51Å
278A78.9Confident80Confident0 Ų064.5 Ų64.50%035%0.352CS..Hα-helixtrans-60.6-45.1178.900000112L274 H275 R280 Y281 T282 I318L274-A278 WeakPolarHBondContact O-CB 3.3Å; L274-A278 PolarHBondContact O-N 3.31Å; H275-A278 PolarHBondContact O-N 3.06Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.41Å; A278-Y281 PolarHBondContact O-N 3.03Å; A278-T282 WeakPolarHBondContact O-CB 3.42Å; A278-T282 PolarHBondContact O-N 3.5Å; A278-T282 PolarHBondContact O-OG1 3.37Å; A278-I318 HydrophobicContact CB-CG2 3.89Å
279L77.6Confident80.8Confident45 Ų4567.2 Ų67.224%0.23637%0.368CS..Hα-helixtrans-62.4-40.5175.5-73.2179000112.1H275 I277 T282 S283H275-L279 VanDerWaalsContact NE2-CD1 3.3Å; H275-L279 WeakPolarHBondContact NE2-CD1 3.38Å; H275-L279 WeakPolarHBondContact O-CG 3.44Å; H275-L279 PolarHBondContact O-N 2.96Å; I277-L279 PolarHBondContact O-N 3.36Å; L279-T282 WeakPolarHBondContact O-CB 3.44Å; L279-T282 PolarHBondContact O-N 3.29Å; L279-S283 PolarHBondContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 2.85Å
280R80.7Confident81.7Confident114 Ų11463 Ų6343%0.4334%0.341SS..Hα-helixtrans-67.7-37.4178.7-172.5178.6-178.5179.64.1113.1R105 H276 I277 A278 T282 S283 Q284R105-R280 VanDerWaalsContact NE-NH1 3.16Å; H276-R280 VanDerWaalsContact O-CB 3.3Å; H276-R280 WeakPolarHBondContact O-CB 3.46Å; H276-R280 PolarHBondContact O-N 2.94Å; I277-R280 PolarHBondContact O-N 2.74Å; A278-R280 VanDerWaalsContact C-N 3.34Å; A278-R280 PolarHBondContact O-N 3.41Å; R280-T282 VanDerWaalsContact C-N 3.35Å; R280-S283 PolarHBondContact O-OG 3.41Å; R280-Q284 VanDerWaalsContact O-CG 3.32Å; R280-Q284 WeakPolarHBondContact O-CG 3.37Å; R280-Q284 PolarHBondContact O-N 2.96Å
281Y82.9Confident82.6Confident82 Ų8260.4 Ų60.432%0.32231%0.311SS..Hα-helixtrans-69-37.4173.1-81.9-64.1000111.6I277 A278 Q284 G285 K286 V289I277-Y281 HydrophobicContact CG2-CD2 3.53Å; I277-Y281 HydrophobicContact CG2-CE2 3.39Å; I277-Y281 VanDerWaalsContact O-CD2 3.27Å; I277-Y281 WeakPolarHBondContact O-CD2 3.43Å; I277-Y281 PolarHBondContact O-N 3.47Å; A278-Y281 PolarHBondContact O-N 3.03Å; Y281-Q284 PolarHBondContact O-N 3.47Å; Y281-G285 PolarHBondContact O-N 3.21Å; Y281-K286 HydrophobicContact CD1-CB 3.96Å; Y281-K286 HydrophobicContact CD1-CD 3.82Å; Y281-K286 HydrophobicContact CE1-CD 4.1Å; Y281-K286 PolarHBondContact O-N 3.21Å; Y281-V289 HydrophobicContact CD1-CB 4.31Å; Y281-V289 HydrophobicContact CD1-CG1 4.09Å; Y281-V289 HydrophobicContact CD2-CG1 4.14Å; Y281-V289 HydrophobicContact CE1-CG1 3.99Å; Y281-V289 HydrophobicContact CE2-CG1 4.03Å; Y281-V289 HydrophobicContact CG-CB 4.47Å; Y281-V289 HydrophobicContact CG-CG1 4.18Å
282T79.7Confident83.2Confident12 Ų1262.8 Ų62.87%0.07433%0.33CS..Hα-helixtrans-63.2-43.6175.7-54.60000111.2A278 L279 R280 Q284 G285 H287 D325A278-T282 WeakPolarHBondContact O-CB 3.42Å; A278-T282 PolarHBondContact O-N 3.5Å; A278-T282 PolarHBondContact O-OG1 3.37Å; L279-T282 WeakPolarHBondContact O-CB 3.44Å; L279-T282 PolarHBondContact O-N 3.29Å; R280-T282 VanDerWaalsContact C-N 3.35Å; T282-Q284 VanDerWaalsContact C-N 3.28Å; T282-Q284 PolarHBondContact O-N 2.84Å; T282-G285 PolarHBondContact O-N 3.48Å; T282-H287 PolarHBondContact O-CE1 3Å; T282-H287 VanDerWaalsContact O-CE1 3.29Å; T282-D325 HydrophobicContact CG2-CB 4.08Å; T282-D325 VanDerWaalsContact CG2-OD2 3.28Å; T282-D325 WeakPolarHBondContact CG2-OD2 3.22Å
283S80Confident84Confident96 Ų9660.6 Ų60.667%0.67133%0.325SS*.Hα-helixtrans-68.6-24.1176.768.60000113.8L279 R280 G285L279-S283 PolarHBondContact O-N 3.08Å; L279-S283 PolarHBondContact O-OG 2.85Å; R280-S283 PolarHBondContact O-OG 3.41Å; S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.29Å
284Q86.6Confident84.4Confident93 Ų9356.6 Ų56.644%0.43530%0.301SS..THydrogen-bonded Turntrans-79.7-2.5171.1-72.6174.634.900113.7R280 Y281 T282 K286R280-Q284 VanDerWaalsContact O-CG 3.32Å; R280-Q284 WeakPolarHBondContact O-CG 3.37Å; R280-Q284 PolarHBondContact O-N 2.96Å; Y281-Q284 PolarHBondContact O-N 3.47Å; T282-Q284 VanDerWaalsContact C-N 3.28Å; T282-Q284 PolarHBondContact O-N 2.84Å; Q284-K286 HydrophobicContact CB-CD 4.4Å; Q284-K286 HydrophobicContact CB-CG 4.36Å; Q284-K286 PolarHBondContact O-N 3.09Å
285G85.4Confident84.9Confident45 Ų4558.5 Ų58.546%0.46431%0.311SS..THydrogen-bonded Turntrans75.14.6-172.900000114.4Y281 T282 S283 H287Y281-G285 PolarHBondContact O-N 3.21Å; T282-G285 PolarHBondContact O-N 3.48Å; S283-G285 VanDerWaalsContact C-N 3.26Å; S283-G285 PolarHBondContact O-N 3.29Å; G285-H287 PolarHBondContact O-CD2 3.26Å; G285-H287 VanDerWaalsContact O-CD2 3.29Å; G285-H287 PolarHBondContact O-N 3.05Å
286K87.6Confident85.6Confident105 Ų10561.5 Ų61.546%0.45733%0.325SS..  trans-84.959.9177.6-67.2174.6-177.7162.40110.3Y281 Q284 D288 V289 A290Y281-K286 HydrophobicContact CD1-CB 3.96Å; Y281-K286 HydrophobicContact CD1-CD 3.82Å; Y281-K286 HydrophobicContact CE1-CD 4.1Å; Y281-K286 PolarHBondContact O-N 3.21Å; Q284-K286 HydrophobicContact CB-CD 4.4Å; Q284-K286 HydrophobicContact CB-CG 4.36Å; Q284-K286 PolarHBondContact O-N 3.09Å; K286-D288 VanDerWaalsContact C-N 3.28Å; K286-D288 PolarHBondContact O-N 3.18Å; K286-V289 PolarHBondContact O-N 3.06Å; K286-A290 PolarHBondContact O-N 3.08Å
287H87.4Confident86.2Confident44 Ų4456.8 Ų56.820%0.20431%0.305CS..Hα-helixtrans-66.1-30.4-173.4-53.4-67.6000113T282 G285 A290 S291 V322 Q326T282-H287 PolarHBondContact O-CE1 3Å; T282-H287 VanDerWaalsContact O-CE1 3.29Å; G285-H287 PolarHBondContact O-CD2 3.26Å; G285-H287 VanDerWaalsContact O-CD2 3.29Å; G285-H287 PolarHBondContact O-N 3.05Å; H287-A290 PolarHBondContact O-N 3.27Å; H287-S291 WeakPolarHBondContact O-CB 3.3Å; H287-S291 PolarHBondContact O-N 3.11Å; H287-S291 PolarHBondContact O-OG 2.87Å; H287-V322 HydrophobicContact CB-CG1 4.18Å; H287-Q326 HydrophobicContact CB-CG 3.44Å; H287-Q326 VanDerWaalsContact CB-CG 3.44Å; H287-Q326 PolarHBondContact O-NE2 3.15Å
288D88.7Confident86.5Confident122 Ų12254 Ų5465%0.65229%0.291SS*.Hα-helixtrans-63.4-48.9179.7-60.1-33.6000111.1K286 A290 S291 S292K286-D288 VanDerWaalsContact C-N 3.28Å; K286-D288 PolarHBondContact O-N 3.18Å; D288-A290 VanDerWaalsContact C-N 3.33Å; D288-A290 PolarHBondContact O-N 3.09Å; D288-S291 PolarHBondContact O-N 3.41Å; D288-S291 PolarHBondContact O-OG 3.43Å; D288-S292 PolarHBondContact O-N 2.9Å; D288-S292 PolarHBondContact O-OG 3.23Å
289V88.3Confident87.1Confident65 Ų6560.4 Ų60.439%0.39432%0.315SS..Hα-helixtrans-61.2-41.7177.2-178.40000111.2Y281 K286 S292 L293Y281-V289 HydrophobicContact CD1-CB 4.31Å; Y281-V289 HydrophobicContact CD1-CG1 4.09Å; Y281-V289 HydrophobicContact CD2-CG1 4.14Å; Y281-V289 HydrophobicContact CE1-CG1 3.99Å; Y281-V289 HydrophobicContact CE2-CG1 4.03Å; Y281-V289 HydrophobicContact CG-CB 4.47Å; Y281-V289 HydrophobicContact CG-CG1 4.18Å; K286-V289 PolarHBondContact O-N 3.06Å; V289-S292 WeakPolarHBondContact CA-OG 3.43Å; V289-S292 PolarHBondContact O-OG 2.91Å; V289-L293 VanDerWaalsContact O-CB 3.23Å; V289-L293 WeakPolarHBondContact O-CB 3.28Å; V289-L293 PolarHBondContact O-N 3.32Å; V289-L293 VanDerWaalsContact O-N 3.08Å
290A88.8Confident87.6Confident0 Ų061.9 Ų61.90%032%0.323CS..Hα-helixtrans-62.2-45.7176.200000111.4K286 H287 D288 L293 C294 V322K286-A290 PolarHBondContact O-N 3.08Å; H287-A290 PolarHBondContact O-N 3.27Å; D288-A290 VanDerWaalsContact C-N 3.33Å; D288-A290 PolarHBondContact O-N 3.09Å; A290-L293 PolarHBondContact O-N 3.16Å; A290-C294 PolarHBondContact O-N 3.24Å; A290-C294 PolarHBondContact O-SG 3.37Å; A290-C294 VanDerWaalsContact O-SG 3.41Å; A290-V322 HydrophobicContact CB-CG1 4.06Å; A290-V322 HydrophobicContact CB-CG2 4.13Å
291S89.9Confident87.9Confident15 Ų1557.6 Ų57.611%0.10531%0.309CS..Hα-helixtrans-66.9-42-179.570.60000112.7H287 D288 L293 C294 L295H287-S291 WeakPolarHBondContact O-CB 3.3Å; H287-S291 PolarHBondContact O-N 3.11Å; H287-S291 PolarHBondContact O-OG 2.87Å; D288-S291 PolarHBondContact O-N 3.41Å; D288-S291 PolarHBondContact O-OG 3.43Å; S291-L293 VanDerWaalsContact C-N 3.33Å; S291-L293 PolarHBondContact O-N 3.4Å; S291-C294 PolarHBondContact O-N 3.5Å; S291-L295 WeakPolarHBondContact O-CB 3.42Å; S291-L295 VanDerWaalsContact O-CG 3.29Å; S291-L295 WeakPolarHBondContact O-CG 3.45Å; S291-L295 PolarHBondContact O-N 2.85Å
292S92.1Very high88.2Confident68 Ų6856.3 Ų56.348%0.47631%0.306SS..Hα-helixtrans-64.6-39.2177.7590000111.8D288 V289 L295 Q296D288-S292 PolarHBondContact O-N 2.9Å; D288-S292 PolarHBondContact O-OG 3.23Å; V289-S292 WeakPolarHBondContact CA-OG 3.43Å; V289-S292 PolarHBondContact O-OG 2.91Å; S292-L295 PolarHBondContact O-N 2.64Å; S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 2.86Å
293L90.2Very high88.6Confident54 Ų5463.7 Ų63.728%0.28334%0.339SS..Hα-helixtrans-64.9-45.1177.5-178.965.4000111.5L274 I277 V289 A290 S291 Q296 A297L274-L293 HydrophobicContact CD1-CD1 3.63Å; L274-L293 HydrophobicContact CD1-CD2 3.73Å; L274-L293 HydrophobicContact CD1-CG 3.48Å; L274-L293 VanDerWaalsContact CD1-CG 3.48Å; I277-L293 HydrophobicContact CB-CD2 4.26Å; I277-L293 HydrophobicContact CG2-CD2 3.51Å; V289-L293 VanDerWaalsContact O-CB 3.23Å; V289-L293 WeakPolarHBondContact O-CB 3.28Å; V289-L293 PolarHBondContact O-N 3.32Å; V289-L293 VanDerWaalsContact O-N 3.08Å; A290-L293 PolarHBondContact O-N 3.16Å; S291-L293 VanDerWaalsContact C-N 3.33Å; S291-L293 PolarHBondContact O-N 3.4Å; L293-Q296 PolarHBondContact O-N 3.28Å; L293-A297 PolarHBondContact O-N 3Å; L293-A297 VanDerWaalsContact O-N 3.09Å
294C89.2Confident88.7Confident1 Ų163.5 Ų63.51%0.00734%0.338CS..Hα-helixtrans-64.2-44.3175.3-71.20000112.1A290 S291 Q296 A297 I298 L319A290-C294 PolarHBondContact O-N 3.24Å; A290-C294 PolarHBondContact O-SG 3.37Å; A290-C294 VanDerWaalsContact O-SG 3.41Å; S291-C294 PolarHBondContact O-N 3.5Å; C294-Q296 VanDerWaalsContact C-N 3.34Å; C294-Q296 PolarHBondContact O-N 3.29Å; C294-A297 PolarHBondContact O-N 3.17Å; C294-I298 WeakPolarHBondContact O-CD1 3.43Å; C294-I298 WeakPolarHBondContact O-CG1 3.47Å; C294-I298 PolarHBondContact O-N 2.99Å; C294-L319 HydrophobicContact CB-CB 4.28Å; C294-L319 HydrophobicContact CB-CD1 4.17Å
295L91.8Very high88Confident72 Ų7261.2 Ų61.238%0.37734%0.34SS..Hα-helixtrans-64-37.3178.1-74170.4000112.3S291 S292 R299 L319S291-L295 WeakPolarHBondContact O-CB 3.42Å; S291-L295 VanDerWaalsContact O-CG 3.29Å; S291-L295 WeakPolarHBondContact O-CG 3.45Å; S291-L295 PolarHBondContact O-N 2.85Å; S292-L295 PolarHBondContact O-N 2.64Å; L295-R299 WeakPolarHBondContact O-CG 3.35Å; L295-R299 PolarHBondContact O-N 3.02Å; L295-R299 VanDerWaalsContact O-N 3.16Å; L295-L319 HydrophobicContact CD2-CD2 3.68Å; L295-L319 HydrophobicContact CG-CD1 4.44Å; L295-L319 HydrophobicContact CG-CD2 4.18Å
296Q91.5Very high87.8Confident80 Ų8060.5 Ų60.537%0.37433%0.332SS..Hα-helixtrans-62-51.8173.3-176.260.938.300111S292 L293 C294 I298 R299 D300S292-Q296 WeakPolarHBondContact O-CB 3.41Å; S292-Q296 PolarHBondContact O-N 2.86Å; L293-Q296 PolarHBondContact O-N 3.28Å; C294-Q296 VanDerWaalsContact C-N 3.34Å; C294-Q296 PolarHBondContact O-N 3.29Å; Q296-I298 VanDerWaalsContact C-N 3.27Å; Q296-I298 PolarHBondContact O-N 3.1Å; Q296-R299 WeakPolarHBondContact O-CB 3.32Å; Q296-R299 PolarHBondContact O-N 3.16Å; Q296-D300 PolarHBondContact NE2-OD1 3.4Å; Q296-D300 VanDerWaalsContact O-CG 3.27Å; Q296-D300 PolarHBondContact O-N 3.46Å
297A89.5Confident87.6Confident13 Ų1361.1 Ų61.111%0.10733%0.332CS..Hα-helixtrans-63.4-32.1-178.700000113.4L274 L293 C294 L301 L315L274-A297 HydrophobicContact CD2-CB 3.24Å; L293-A297 PolarHBondContact O-N 3Å; L293-A297 VanDerWaalsContact O-N 3.09Å; C294-A297 PolarHBondContact O-N 3.17Å; A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.3Å; A297-L315 HydrophobicContact CB-CD1 3.8Å; A297-L315 HydrophobicContact CB-CD2 4.35Å
298I89.8Confident87.2Confident8 Ų863 Ų634%0.04134%0.343CS..Hα-helixtrans-64.9-44.6173.2-69.6161.4000110.2C294 Q296 D300 L301 E302 V312 L315 L316 L319C294-I298 WeakPolarHBondContact O-CD1 3.43Å; C294-I298 WeakPolarHBondContact O-CG1 3.47Å; C294-I298 PolarHBondContact O-N 2.99Å; Q296-I298 VanDerWaalsContact C-N 3.27Å; Q296-I298 PolarHBondContact O-N 3.1Å; I298-D300 PolarHBondContact O-N 2.91Å; I298-L301 PolarHBondContact O-N 2.86Å; I298-E302 HydrophobicContact CG2-CG 4.18Å; I298-E302 WeakPolarHBondContact O-CB 3.34Å; I298-E302 VanDerWaalsContact O-CG 3.31Å; I298-E302 WeakPolarHBondContact O-CG 3.39Å; I298-E302 PolarHBondContact O-N 3.05Å; I298-V312 HydrophobicContact CG2-CG1 4.36Å; I298-L315 HydrophobicContact CD1-CB 4.04Å; I298-L315 HydrophobicContact CG1-CB 3.56Å; I298-L315 HydrophobicContact CG1-CD1 4.04Å; I298-L315 HydrophobicContact CG1-CG 4.44Å; I298-L316 HydrophobicContact CD1-CD2 3.8Å; I298-L316 HydrophobicContact CD1-CG 4.17Å; I298-L319 HydrophobicContact CD1-CD2 4.15Å
299R90.6Very high86.9Confident134 Ų13459.3 Ų59.351%0.50632%0.322SS..Hα-helixtrans-60.5-45.1177.3-73.1-173.9-71.2172.3-4112L295 Q296 L301 E302 E303L295-R299 WeakPolarHBondContact O-CG 3.35Å; L295-R299 PolarHBondContact O-N 3.02Å; L295-R299 VanDerWaalsContact O-N 3.16Å; Q296-R299 WeakPolarHBondContact O-CB 3.32Å; Q296-R299 PolarHBondContact O-N 3.16Å; R299-L301 VanDerWaalsContact C-N 3.27Å; R299-L301 PolarHBondContact O-N 3.05Å; R299-E302 PolarHBondContact O-N 3.16Å; R299-E303 WeakPolarHBondContact O-CG 3.16Å; R299-E303 PolarHBondContact O-N 3.04Å
300D88.8Confident86.7Confident76 Ų7659 Ų5941%0.40633%0.326SS..Hα-helixtrans-62.1-35.5180-56.6-20.4000112Q296 I298 S304Q296-D300 PolarHBondContact NE2-OD1 3.4Å; Q296-D300 VanDerWaalsContact O-CG 3.27Å; Q296-D300 PolarHBondContact O-N 3.46Å; I298-D300 PolarHBondContact O-N 2.91Å; D300-S304 PolarHBondContact O-N 3.38Å; D300-S304 PolarHBondContact O-OG 3.41Å
301L86.5Confident86.4Confident25 Ų2562.7 Ų62.713%0.13134%0.343CS..Hα-helixtrans-76.3-38.8175.1-71.2172.7000113L271 A297 I298 R299 E303 S304 G305 E311 V312 L315L271-L301 HydrophobicContact CD1-CD1 4.44Å; L271-L301 HydrophobicContact CD2-CD1 4.36Å; A297-L301 WeakPolarHBondContact O-CG 3.35Å; A297-L301 PolarHBondContact O-N 3.3Å; I298-L301 PolarHBondContact O-N 2.86Å; R299-L301 VanDerWaalsContact C-N 3.27Å; R299-L301 PolarHBondContact O-N 3.05Å; L301-E303 VanDerWaalsContact C-N 3.28Å; L301-E303 PolarHBondContact O-N 3.29Å; L301-S304 WeakPolarHBondContact CA-OG 3.36Å; L301-S304 PolarHBondContact O-N 2.91Å; L301-S304 PolarHBondContact O-OG 2.68Å; L301-S304 VanDerWaalsContact O-OG 3.12Å; L301-G305 PolarHBondContact O-N 3.34Å; L301-E311 HydrophobicContact CD1-CB 3.8Å; L301-E311 HydrophobicContact CD2-CB 4.44Å; L301-E311 WeakPolarHBondContact CD2-OE2 3.34Å; L301-V312 HydrophobicContact CB-CG2 3.77Å; L301-V312 HydrophobicContact CD1-CG2 4.27Å; L301-L315 HydrophobicContact CD1-CD1 3.42Å; L301-L315 VanDerWaalsContact CD1-CD1 3.42Å
302E89Confident86.3Confident55 Ų5562 Ų6226%0.25734%0.338SS..Hα-helixtrans-61.2-38.6175.2-76.5-179.9162.500111.5I298 R299 G306 R307I298-E302 HydrophobicContact CG2-CG 4.18Å; I298-E302 WeakPolarHBondContact O-CB 3.34Å; I298-E302 VanDerWaalsContact O-CG 3.31Å; I298-E302 WeakPolarHBondContact O-CG 3.39Å; I298-E302 PolarHBondContact O-N 3.05Å; R299-E302 PolarHBondContact O-N 3.16Å; E302-G306 WeakPolarHBondContact O-CA 3.47Å; E302-G306 PolarHBondContact O-N 3.48Å; E302-G306 VanDerWaalsContact O-N 3.1Å; E302-R307 HydrophobicContact CG-CB 4.34Å; E302-R307 HydrophobicContact CG-CG 4.35Å; E302-R307 WeakPolarHBondContact OE1-CD 3.43Å; E302-R307 WeakPolarHBondContact OE1-CG 3.37Å; E302-R307 IonicContact OE1-CZ 2.84Å; E302-R307 VanDerWaalsContact OE1-CZ 3.24Å; E302-R307 IonicContact OE1-NE 3.61Å; E302-R307 PolarHBondContact OE1-NE 2.95Å; E302-R307 IonicContact OE1-NH1 2.84Å; E302-R307 PolarHBondContact OE1-NH1 3.01Å; E302-R307 IonicContact OE2-NH1 2.89Å
303E88.3Confident86.1Confident166 Ų16658.7 Ų58.778%0.77632%0.316SS*.Hα-helixtrans-66.8-33.6175.9-74.7178.7-169.700113.1R299 L301R299-E303 WeakPolarHBondContact O-CG 3.16Å; R299-E303 PolarHBondContact O-N 3.04Å; L301-E303 VanDerWaalsContact C-N 3.28Å; L301-E303 PolarHBondContact O-N 3.29Å
304S82.8Confident85.8Confident92 Ų9256.2 Ų56.264%0.64330%0.303SS*.Hα-helixtrans-88.9-27.2-174.551.60000114.5D300 L301D300-S304 PolarHBondContact O-N 3.38Å; D300-S304 PolarHBondContact O-OG 3.41Å; L301-S304 WeakPolarHBondContact CA-OG 3.36Å; L301-S304 PolarHBondContact O-N 2.91Å; L301-S304 PolarHBondContact O-OG 2.68Å; L301-S304 VanDerWaalsContact O-OG 3.12Å
305G73Confident85.7Confident46 Ų4656.2 Ų56.247%0.47430%0.303SS..Hα-helixtrans-166.728.6176.800000116.5L301 Q309L301-G305 PolarHBondContact O-N 3.34Å; G305-Q309 PolarHBondContact O-NE2 3.09Å
306G80.3Confident85.7Confident30 Ų3053.1 Ų53.131%0.30929%0.287SS..  trans81.4172.1169.300000115.2E302 Q309E302-G306 WeakPolarHBondContact O-CA 3.47Å; E302-G306 PolarHBondContact O-N 3.48Å; E302-G306 VanDerWaalsContact O-N 3.1Å; G306-Q309 WeakPolarHBondContact O-CG 3.26Å
307R83.4Confident85.5Confident118 Ų11849.3 Ų49.345%0.44527%0.269SS..SBendtrans-82.3-21.2-168.6-160.5164.6176.7131.5-8114.5E302 Q309 V312 E338E302-R307 HydrophobicContact CG-CB 4.34Å; E302-R307 HydrophobicContact CG-CG 4.35Å; E302-R307 WeakPolarHBondContact OE1-CD 3.43Å; E302-R307 WeakPolarHBondContact OE1-CG 3.37Å; E302-R307 IonicContact OE1-CZ 2.84Å; E302-R307 VanDerWaalsContact OE1-CZ 3.24Å; E302-R307 IonicContact OE1-NE 3.61Å; E302-R307 PolarHBondContact OE1-NE 2.95Å; E302-R307 IonicContact OE1-NH1 2.84Å; E302-R307 PolarHBondContact OE1-NH1 3.01Å; E302-R307 IonicContact OE2-NH1 2.89Å; R307-Q309 PolarHBondContact O-N 3.46Å; R307-V312 HydrophobicContact CG-CG1 4.2Å; R307-E338 IonicContact CZ-OE1 2.7Å; R307-E338 VanDerWaalsContact CZ-OE1 3.23Å; R307-E338 IonicContact NE-OE1 2.63Å; R307-E338 PolarHBondContact NE-OE1 3.39Å; R307-E338 IonicContact NH2-OE1 3.19Å; R307-E338 PolarHBondContact NH2-OE1 2.97Å; R307-E338 IonicContact NH2-OE2 3.17Å; R307-E338 PolarHBondContact NH2-OE2 3.22Å; R307-E338 VanDerWaalsContact NH2-OE2 3.13Å
308D79.9Confident85.3Confident84 Ų8448.8 Ų48.845%0.44926%0.264SS..SBendtrans-81.737.1179.5-77.7-29.3000111.8K345 L346D308-K345 IonicContact OD1-NZ 3.63Å; D308-K345 PolarHBondContact OD1-NZ 3.47Å; D308-K345 IonicContact OD2-NZ 2.71Å; D308-K345 PolarHBondContact OD2-NZ 3.06Å; D308-L346 WeakPolarHBondContact O-CD1 3.48Å; D308-L346 WeakPolarHBondContact O-CD2 3.42Å
309Q82.1Confident85.3Confident43 Ų4348.6 Ų48.620%0.20126%0.263CS..  trans-101.4149.7178.8-69.2-179.3-9.600112.8G305 G306 R307 E311 V312 A313G305-Q309 PolarHBondContact O-NE2 3.09Å; G306-Q309 WeakPolarHBondContact O-CG 3.26Å; R307-Q309 PolarHBondContact O-N 3.46Å; Q309-E311 PolarHBondContact O-N 3.48Å; Q309-V312 HydrophobicContact CB-CB 4.32Å; Q309-V312 HydrophobicContact CB-CG2 4.04Å; Q309-V312 PolarHBondContact O-N 3.46Å; Q309-A313 PolarHBondContact O-N 2.79Å; Q309-A313 VanDerWaalsContact O-N 3.09Å
310A83.5Confident85.3Confident58 Ų5842.4 Ų42.448%0.47924%0.241SC..Hα-helixtrans-62.4-33.2175.300000112.4A313 A314 L346A310-A313 PolarHBondContact O-N 2.9Å; A310-A314 PolarHBondContact O-N 2.97Å; A310-L346 HydrophobicContact CB-CD1 4.27Å
311E83Confident85Confident78 Ų7839.9 Ų39.936%0.36423%0.227SC..Hα-helixtrans-68.1-46.1178.3-72.8171.1178.300111.9P268 L271 L301 Q309 A313 A314 L315P268-E311 HydrophobicContact CB-CG 3.9Å; P268-E311 HydrophobicContact CG-CG 3.74Å; L271-E311 HydrophobicContact CD1-CB 3.7Å; L271-E311 HydrophobicContact CD1-CG 3.98Å; L271-E311 WeakPolarHBondContact CD1-O 3.3Å; L301-E311 HydrophobicContact CD1-CB 3.8Å; L301-E311 HydrophobicContact CD2-CB 4.44Å; L301-E311 WeakPolarHBondContact CD2-OE2 3.34Å; Q309-E311 PolarHBondContact O-N 3.48Å; E311-A313 VanDerWaalsContact C-N 3.34Å; E311-A313 PolarHBondContact O-N 3.29Å; E311-A314 WeakPolarHBondContact O-CB 3.07Å; E311-A314 PolarHBondContact O-N 2.99Å; E311-A314 VanDerWaalsContact O-N 3.11Å; E311-L315 PolarHBondContact O-N 2.88Å
312V86.7Confident85.1Confident0 Ų038.8 Ų38.80%022%0.221CC..Hα-helixtrans-59.1-45.2172.9174.90000110.7I298 L301 R307 Q309 A314 L315 L316I298-V312 HydrophobicContact CG2-CG1 4.36Å; L301-V312 HydrophobicContact CB-CG2 3.77Å; L301-V312 HydrophobicContact CD1-CG2 4.27Å; R307-V312 HydrophobicContact CG-CG1 4.2Å; Q309-V312 HydrophobicContact CB-CB 4.32Å; Q309-V312 HydrophobicContact CB-CG2 4.04Å; Q309-V312 PolarHBondContact O-N 3.46Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 PolarHBondContact O-N 3.22Å; V312-L315 PolarHBondContact O-N 2.73Å; V312-L316 HydrophobicContact CG1-CD1 3.81Å; V312-L316 HydrophobicContact CG1-CG 4.2Å; V312-L316 WeakPolarHBondContact O-CB 3.35Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 3.41Å
313A87.9Confident85.2Confident0 Ų037.7 Ų37.70%022%0.215CC..Hα-helixtrans-63.3-29.4176.500000113.6Q309 A310 E311 N317 V339 I342 R343Q309-A313 PolarHBondContact O-N 2.79Å; Q309-A313 VanDerWaalsContact O-N 3.09Å; A310-A313 PolarHBondContact O-N 2.9Å; E311-A313 VanDerWaalsContact C-N 3.34Å; E311-A313 PolarHBondContact O-N 3.29Å; A313-N317 WeakPolarHBondContact O-CB 3.46Å; A313-N317 PolarHBondContact O-N 2.88Å; A313-V339 HydrophobicContact CB-CG1 4.5Å; A313-I342 HydrophobicContact CB-CB 4.28Å; A313-I342 HydrophobicContact CB-CG2 3.85Å; A313-R343 HydrophobicContact CB-CG 4.2Å; A313-R343 PolarHBondContact O-NH2 3.07Å
314A85Confident85.1Confident2 Ų232 Ų322%0.01719%0.186CC..Hα-helixtrans-71.5-44.6173.800000111.3L271 A310 E311 V312 N317 I318L271-A314 HydrophobicContact CD1-CB 4.44Å; A310-A314 PolarHBondContact O-N 2.97Å; E311-A314 WeakPolarHBondContact O-CB 3.07Å; E311-A314 PolarHBondContact O-N 2.99Å; E311-A314 VanDerWaalsContact O-N 3.11Å; V312-A314 VanDerWaalsContact C-N 3.27Å; V312-A314 PolarHBondContact O-N 3.22Å; A314-N317 PolarHBondContact O-N 3.47Å; A314-I318 WeakPolarHBondContact O-CG1 3.37Å; A314-I318 PolarHBondContact O-N 3.15Å; A314-I318 VanDerWaalsContact O-N 3.13Å
315L86.6Confident85.2Confident0 Ų030.8 Ų30.80%017%0.173CC..Hα-helixtrans-68.1-42.1178.4-74.1167.5000113.5L271 L274 A297 I298 L301 E311 V312 N317 I318 L319L271-L315 HydrophobicContact CD1-CD1 4.15Å; L271-L315 HydrophobicContact CD1-CG 3.96Å; L271-L315 HydrophobicContact CD2-CD1 3.99Å; L271-L315 HydrophobicContact CD2-CD2 4.39Å; L271-L315 HydrophobicContact CD2-CG 4.32Å; L274-L315 HydrophobicContact CD2-CD1 4.49Å; L274-L315 HydrophobicContact CD2-CD2 3.5Å; L274-L315 VanDerWaalsContact CD2-CD2 3.5Å; L274-L315 HydrophobicContact CG-CD2 4.37Å; A297-L315 HydrophobicContact CB-CD1 3.8Å; A297-L315 HydrophobicContact CB-CD2 4.35Å; I298-L315 HydrophobicContact CD1-CB 4.04Å; I298-L315 HydrophobicContact CG1-CB 3.56Å; I298-L315 HydrophobicContact CG1-CD1 4.04Å; I298-L315 HydrophobicContact CG1-CG 4.44Å; L301-L315 HydrophobicContact CD1-CD1 3.42Å; L301-L315 VanDerWaalsContact CD1-CD1 3.42Å; E311-L315 PolarHBondContact O-N 2.88Å; V312-L315 PolarHBondContact O-N 2.73Å; L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 2.96Å; L315-I318 HydrophobicContact CD2-CD1 4.24Å; L315-I318 WeakPolarHBondContact O-CB 3.44Å; L315-I318 PolarHBondContact O-N 2.9Å; L315-I318 VanDerWaalsContact O-N 3.07Å; L315-L319 PolarHBondContact O-N 3.2Å
316L91.1Very high85.9Confident7 Ų730.8 Ų30.84%0.03716%0.161CC..Hα-helixtrans-58.6-40.3173.6-75.4172.9000111.1I298 V312 I318 L319 A320 I335 V339 I342I298-L316 HydrophobicContact CD1-CD2 3.8Å; I298-L316 HydrophobicContact CD1-CG 4.17Å; V312-L316 HydrophobicContact CG1-CD1 3.81Å; V312-L316 HydrophobicContact CG1-CG 4.2Å; V312-L316 WeakPolarHBondContact O-CB 3.35Å; V312-L316 WeakPolarHBondContact O-CG 3.44Å; V312-L316 PolarHBondContact O-N 3.41Å; L316-I318 VanDerWaalsContact C-N 3.33Å; L316-I318 PolarHBondContact O-N 3.41Å; L316-L319 PolarHBondContact O-N 3.23Å; L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 2.99Å; L316-I335 HydrophobicContact CB-CG2 3.82Å; L316-I335 HydrophobicContact CD2-CG2 4.02Å; L316-I335 HydrophobicContact CG-CG2 4.49Å; L316-I335 WeakPolarHBondContact O-CG2 3.38Å; L316-V339 HydrophobicContact CB-CG2 3.42Å; L316-V339 VanDerWaalsContact CB-CG2 3.42Å; L316-V339 HydrophobicContact CD1-CG2 4.4Å; L316-I342 HydrophobicContact CD1-CD1 3.95Å
317N87.4Confident86.2Confident1 Ų131.1 Ų31.11%0.00516%0.164CC..Hα-helixtrans-64.1-37.1175.2-174.479.1000112.2A313 A314 L315 L321 L336 V339 N360A313-N317 WeakPolarHBondContact O-CB 3.46Å; A313-N317 PolarHBondContact O-N 2.88Å; A314-N317 PolarHBondContact O-N 3.47Å; L315-N317 VanDerWaalsContact C-N 3.25Å; L315-N317 PolarHBondContact O-N 2.96Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.34Å; N317-L336 WeakPolarHBondContact OD1-CD2 3.42Å; N317-V339 HydrophobicContact CB-CG1 4.28Å; N317-V339 HydrophobicContact CB-CG2 4.33Å; N317-N360 PolarHBondContact OD1-ND2 3.29Å
318I85Confident86.5Confident2 Ų229.5 Ų29.51%0.0116%0.16CC..Hα-helixtrans-66.2-47.3174-62.8161.2000110.3H275 A278 A314 L315 L316 A320 L321 V322H275-I318 HydrophobicContact CB-CD1 3.83Å; H275-I318 WeakPolarHBondContact ND1-CD1 3.38Å; H275-I318 VanDerWaalsContact ND1-CG1 3.3Å; H275-I318 WeakPolarHBondContact ND1-CG1 3.37Å; A278-I318 HydrophobicContact CB-CG2 3.89Å; A314-I318 WeakPolarHBondContact O-CG1 3.37Å; A314-I318 PolarHBondContact O-N 3.15Å; A314-I318 VanDerWaalsContact O-N 3.13Å; L315-I318 HydrophobicContact CD2-CD1 4.24Å; L315-I318 WeakPolarHBondContact O-CB 3.44Å; L315-I318 PolarHBondContact O-N 2.9Å; L315-I318 VanDerWaalsContact O-N 3.07Å; L316-I318 VanDerWaalsContact C-N 3.33Å; L316-I318 PolarHBondContact O-N 3.41Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 2.66Å; I318-L321 WeakPolarHBondContact O-CA 3.42Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 2.98Å; I318-V322 WeakPolarHBondContact O-CG2 3.38Å; I318-V322 PolarHBondContact O-N 3.39Å
319L90.6Very high87Confident4 Ų429.2 Ų29.22%0.02115%0.153CC..Hα-helixtrans-57.4-41177.8-178.263000111.6C294 L295 I298 L315 L316 L321 V322 Y323 I335C294-L319 HydrophobicContact CB-CB 4.28Å; C294-L319 HydrophobicContact CB-CD1 4.17Å; L295-L319 HydrophobicContact CD2-CD2 3.68Å; L295-L319 HydrophobicContact CG-CD1 4.44Å; L295-L319 HydrophobicContact CG-CD2 4.18Å; I298-L319 HydrophobicContact CD1-CD2 4.15Å; L315-L319 PolarHBondContact O-N 3.2Å; L316-L319 PolarHBondContact O-N 3.23Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.32Å; L319-V322 WeakPolarHBondContact O-CB 3.48Å; L319-V322 PolarHBondContact O-N 3.38Å; L319-V322 VanDerWaalsContact O-N 3.16Å; L319-Y323 HydrophobicContact CD1-CD1 4.42Å; L319-Y323 HydrophobicContact CD1-CE1 3.97Å; L319-Y323 HydrophobicContact CD1-CE2 4.21Å; L319-Y323 HydrophobicContact CD2-CE2 4.3Å; L319-Y323 HydrophobicContact CG-CD2 4.37Å; L319-Y323 HydrophobicContact CG-CE2 4.06Å; L319-Y323 PolarHBondContact O-N 3.22Å; L319-I335 HydrophobicContact CD2-CD1 3.94Å; L319-I335 HydrophobicContact CG-CD1 4.09Å
320A89.4Confident87.4Confident3 Ų335.1 Ų35.13%0.02518%0.178CC..Hα-helixtrans-61.7-36.5174.800000112.9L316 I318 Y323 R324 A332 I335 L336L316-A320 WeakPolarHBondContact O-CB 3.35Å; L316-A320 PolarHBondContact O-N 2.99Å; I318-A320 VanDerWaalsContact C-N 3.27Å; I318-A320 PolarHBondContact O-N 2.66Å; A320-Y323 PolarHBondContact O-N 3.11Å; A320-R324 WeakPolarHBondContact O-CB 3.35Å; A320-R324 PolarHBondContact O-N 3.1Å; A320-A332 HydrophobicContact CB-CB 4.41Å; A320-A332 WeakPolarHBondContact O-CB 3.38Å; A320-I335 HydrophobicContact CB-CB 4.28Å; A320-I335 HydrophobicContact CB-CG2 3.95Å; A320-L336 HydrophobicContact CB-CD1 4.28Å; A320-L336 HydrophobicContact CB-CD2 4.02Å; A320-L336 HydrophobicContact CB-CG 3.73Å
321L84.5Confident87.8Confident24 Ų2436.7 Ų36.713%0.12618%0.176CC..Hα-helixtrans-67.4-39.9173.7-63.7173.4000111.4I265 N317 I318 L319 R324 D325I265-L321 HydrophobicContact CD1-CD1 4.2Å; N317-L321 WeakPolarHBondContact O-CG 3.42Å; N317-L321 PolarHBondContact O-N 3.34Å; I318-L321 WeakPolarHBondContact O-CA 3.42Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 2.98Å; L319-L321 VanDerWaalsContact C-N 3.31Å; L319-L321 PolarHBondContact O-N 3.32Å; L321-R324 WeakPolarHBondContact O-CB 3.15Å; L321-R324 PolarHBondContact O-N 3.46Å; L321-D325 PolarHBondContact O-N 2.76Å; L321-D325 VanDerWaalsContact O-N 3.16Å
322V87.2Confident88.2Confident2 Ų233 Ų331%0.01216%0.159CC..Hα-helixtrans-61-46.9174-178.20000110.9H287 A290 I318 L319 R324 D325 Q326H287-V322 HydrophobicContact CB-CG1 4.18Å; A290-V322 HydrophobicContact CB-CG1 4.06Å; A290-V322 HydrophobicContact CB-CG2 4.13Å; I318-V322 WeakPolarHBondContact O-CG2 3.38Å; I318-V322 PolarHBondContact O-N 3.39Å; L319-V322 WeakPolarHBondContact O-CB 3.48Å; L319-V322 PolarHBondContact O-N 3.38Å; L319-V322 VanDerWaalsContact O-N 3.16Å; V322-R324 PolarHBondContact O-N 2.9Å; V322-D325 PolarHBondContact O-N 3.18Å; V322-D325 VanDerWaalsContact O-N 3.17Å; V322-Q326 PolarHBondContact O-N 3.19Å
323Y90.7Very high88.5Confident31 Ų3133.2 Ų33.212%0.12216%0.16CC..Hα-helixtrans-67.7-32.9178.3-75.1-10.9000113.6L319 A320 D325 Q326 G327 K328 E331 I335L319-Y323 HydrophobicContact CD1-CD1 4.42Å; L319-Y323 HydrophobicContact CD1-CE1 3.97Å; L319-Y323 HydrophobicContact CD1-CE2 4.21Å; L319-Y323 HydrophobicContact CD2-CE2 4.3Å; L319-Y323 HydrophobicContact CG-CD2 4.37Å; L319-Y323 HydrophobicContact CG-CE2 4.06Å; L319-Y323 PolarHBondContact O-N 3.22Å; A320-Y323 PolarHBondContact O-N 3.11Å; Y323-D325 VanDerWaalsContact C-N 3.27Å; Y323-D325 PolarHBondContact O-N 3.1Å; Y323-Q326 PolarHBondContact O-N 3.33Å; Y323-G327 PolarHBondContact O-N 3.39Å; Y323-K328 PolarHBondContact O-N 3.16Å; Y323-E331 HydrophobicContact CD2-CB 3.9Å; Y323-E331 HydrophobicContact CE2-CB 4.28Å; Y323-I335 HydrophobicContact CD2-CD1 3.54Å; Y323-I335 HydrophobicContact CE2-CD1 3.57Å
324R86.9Confident88.9Confident46 Ų4637.4 Ų37.417%0.17418%0.183CC..Hα-helixtrans-58.7-41.7170.2179.2-160.972-170.7-3.5111.1L235 A320 L321 V322 G327 Y329 L364 K367L235-R324 VanDerWaalsContact CD2-NH1 3.29Å; A320-R324 WeakPolarHBondContact O-CB 3.35Å; A320-R324 PolarHBondContact O-N 3.1Å; L321-R324 WeakPolarHBondContact O-CB 3.15Å; L321-R324 PolarHBondContact O-N 3.46Å; V322-R324 PolarHBondContact O-N 2.9Å; R324-G327 PolarHBondContact O-N 3.48Å; R324-G327 VanDerWaalsContact O-N 3.16Å; R324-Y329 HydrophobicContact CG-CD1 4.49Å; R324-Y329 HydrophobicContact CG-CE1 4.18Å; R324-Y329 WeakPolarHBondContact O-CE1 3.4Å; R324-L364 HydrophobicContact CB-CD1 3.91Å; R324-L364 HydrophobicContact CG-CD1 3.74Å; R324-K367 HydrophobicContact CG-CD 4.23Å
325D85.4Confident89.3Confident67 Ų6738.4 Ų38.436%0.35819%0.187SC..Hα-helixtrans-76.2-26.3-178.4-64.3-7.3000111.9T282 L321 V322 Y323 G327T282-D325 HydrophobicContact CG2-CB 4.08Å; T282-D325 VanDerWaalsContact CG2-OD2 3.28Å; T282-D325 WeakPolarHBondContact CG2-OD2 3.22Å; L321-D325 PolarHBondContact O-N 2.76Å; L321-D325 VanDerWaalsContact O-N 3.16Å; V322-D325 PolarHBondContact O-N 3.18Å; V322-D325 VanDerWaalsContact O-N 3.17Å; Y323-D325 VanDerWaalsContact C-N 3.27Å; Y323-D325 PolarHBondContact O-N 3.1Å; D325-G327 PolarHBondContact O-N 3.42Å
326Q87.5Confident89.6Confident47 Ų4738.7 Ų38.722%0.2219%0.189CC..THydrogen-bonded Turntrans-72.6-8.2166.2-67-177.1-0.200114H287 V322 Y323 K328H287-Q326 HydrophobicContact CB-CG 3.44Å; H287-Q326 VanDerWaalsContact CB-CG 3.44Å; H287-Q326 PolarHBondContact O-NE2 3.15Å; V322-Q326 PolarHBondContact O-N 3.19Å; Y323-Q326 PolarHBondContact O-N 3.33Å; Q326-K328 VanDerWaalsContact C-N 3.32Å; Q326-K328 HydrophobicContact CB-CG 4.18Å
327G85.9Confident89.8Confident37 Ų3743 Ų4338%0.38121%0.207SC..THydrogen-bonded Turntrans79.46.8-174.100000115.1Y323 R324 D325 Y329Y323-G327 PolarHBondContact O-N 3.39Å; R324-G327 PolarHBondContact O-N 3.48Å; R324-G327 VanDerWaalsContact O-N 3.16Å; D325-G327 PolarHBondContact O-N 3.42Å; G327-Y329 VanDerWaalsContact C-N 3.26Å; G327-Y329 PolarHBondContact O-N 3.07Å
328K90.4Very high90.1Very high83 Ų8345.5 Ų45.536%0.36122%0.219SC..  trans-82.865.3178.7-59.8-172.8-171161.90111.5Y323 Q326 K330 E331 A332Y323-K328 PolarHBondContact O-N 3.16Å; Q326-K328 VanDerWaalsContact C-N 3.32Å; Q326-K328 HydrophobicContact CB-CG 4.18Å; K328-K330 VanDerWaalsContact C-N 3.32Å; K328-K330 PolarHBondContact O-N 3.39Å; K328-E331 HydrophobicContact CB-CB 4.42Å; K328-E331 WeakPolarHBondContact CD-OE2 3.37Å; K328-E331 PolarHBondContact O-N 3.38Å; K328-A332 WeakPolarHBondContact O-CB 3.36Å; K328-A332 PolarHBondContact O-N 3.13Å; K328-A332 VanDerWaalsContact O-N 3.11Å
329Y89.8Confident90.4Very high79 Ų7945.4 Ų45.431%0.3122%0.218SC..Hα-helixtrans-66.3-26.6-172.3-56.6-52.1000114.9R324 G327 S333 L364 K367 A368R324-Y329 HydrophobicContact CG-CD1 4.49Å; R324-Y329 HydrophobicContact CG-CE1 4.18Å; R324-Y329 WeakPolarHBondContact O-CE1 3.4Å; G327-Y329 VanDerWaalsContact C-N 3.26Å; G327-Y329 PolarHBondContact O-N 3.07Å; Y329-S333 WeakPolarHBondContact O-CB 3.13Å; Y329-S333 PolarHBondContact O-N 3.49Å; Y329-L364 HydrophobicContact CD1-CD1 3.58Å; Y329-L364 HydrophobicContact CE1-CD1 4.4Å; Y329-L364 HydrophobicContact CG-CD1 4.41Å; Y329-L364 WeakPolarHBondContact O-CD2 3.49Å; Y329-K367 HydrophobicContact CE1-CB 4.24Å; Y329-K367 HydrophobicContact CE1-CD 4.04Å; Y329-A368 HydrophobicContact CD2-CB 4.47Å
330K91.3Very high90.5Very high167 Ų16745.8 Ų45.873%0.72622%0.22SC*.Hα-helixtrans-70.1-53.6177.2-68.9-174.9179.6-179.70110.9K328 A332 S333 D334K328-K330 VanDerWaalsContact C-N 3.32Å; K328-K330 PolarHBondContact O-N 3.39Å; K330-A332 PolarHBondContact O-N 2.94Å; K330-S333 WeakPolarHBondContact O-CB 3.33Å; K330-S333 PolarHBondContact O-N 2.83Å; K330-D334 PolarHBondContact O-N 3.28Å; K330-D334 VanDerWaalsContact O-N 3.11Å
331E91.8Very high90.7Very high91 Ų9150 Ų5043%0.42524%0.243SC..Hα-helixtrans-57.7-46.6177.6-65.2171.2-163.400111.7Y323 K328 S333 D334 I335Y323-E331 HydrophobicContact CD2-CB 3.9Å; Y323-E331 HydrophobicContact CE2-CB 4.28Å; K328-E331 HydrophobicContact CB-CB 4.42Å; K328-E331 WeakPolarHBondContact CD-OE2 3.37Å; K328-E331 PolarHBondContact O-N 3.38Å; E331-S333 PolarHBondContact O-N 3.43Å; E331-D334 PolarHBondContact O-N 3.43Å; E331-I335 WeakPolarHBondContact O-CG1 2.96Å; E331-I335 PolarHBondContact O-N 3.27Å; E331-I335 VanDerWaalsContact O-N 3.08Å
332A92.3Very high91Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-59.9-33.3175.900000112.7A320 K328 K330 L336 L364A320-A332 HydrophobicContact CB-CB 4.41Å; A320-A332 WeakPolarHBondContact O-CB 3.38Å; K328-A332 WeakPolarHBondContact O-CB 3.36Å; K328-A332 PolarHBondContact O-N 3.13Å; K328-A332 VanDerWaalsContact O-N 3.11Å; K330-A332 PolarHBondContact O-N 2.94Å; A332-L336 WeakPolarHBondContact O-CG 3.44Å; A332-L336 PolarHBondContact O-N 3.06Å; A332-L336 VanDerWaalsContact O-N 3.09Å; A332-L364 VanDerWaalsContact C-CD2 3.45Å; A332-L364 HydrophobicContact CB-CD1 3.99Å; A332-L364 HydrophobicContact CB-CD2 3.63Å; A332-L364 HydrophobicContact CB-CG 4.47Å
333S93Very high91.2Very high4 Ų449.6 Ų49.63%0.02824%0.239CC..Hα-helixtrans-72.5-39.8-179.5-1760000111.6Y329 K330 E331 L336 K337 H365Y329-S333 WeakPolarHBondContact O-CB 3.13Å; Y329-S333 PolarHBondContact O-N 3.49Å; K330-S333 WeakPolarHBondContact O-CB 3.33Å; K330-S333 PolarHBondContact O-N 2.83Å; E331-S333 PolarHBondContact O-N 3.43Å; S333-L336 PolarHBondContact O-N 3.5Å; S333-K337 WeakPolarHBondContact O-CG 3.42Å; S333-K337 PolarHBondContact O-N 3.23Å; S333-H365 PolarHBondContact OG-CE1 3.21Å; S333-H365 VanDerWaalsContact OG-CE1 3.24Å
334D94.8Very high91.3Very high89 Ų8950.8 Ų50.848%0.47625%0.246SC..Hα-helixtrans-71.7-38.6-178.8-64.3-30.9000110.6K330 E331 L336 K337 E338K330-D334 PolarHBondContact O-N 3.28Å; K330-D334 VanDerWaalsContact O-N 3.11Å; E331-D334 PolarHBondContact O-N 3.43Å; D334-L336 VanDerWaalsContact C-N 3.35Å; D334-L336 PolarHBondContact O-N 3.14Å; D334-K337 PolarHBondContact O-N 3.1Å; D334-K337 IonicContact OD1-NZ 3.42Å; D334-K337 PolarHBondContact OD1-NZ 3.16Å; D334-E338 PolarHBondContact O-N 3.05Å; D334-E338 VanDerWaalsContact O-N 3.07Å
335I94.1Very high91.6Very high22 Ų2255.4 Ų55.411%0.11327%0.267CS..Hα-helixtrans-59.2-44.4170.6-66169.2000111.2L316 L319 A320 Y323 E331 K337 E338 V339L316-I335 HydrophobicContact CB-CG2 3.82Å; L316-I335 HydrophobicContact CD2-CG2 4.02Å; L316-I335 HydrophobicContact CG-CG2 4.49Å; L316-I335 WeakPolarHBondContact O-CG2 3.38Å; L319-I335 HydrophobicContact CD2-CD1 3.94Å; L319-I335 HydrophobicContact CG-CD1 4.09Å; A320-I335 HydrophobicContact CB-CB 4.28Å; A320-I335 HydrophobicContact CB-CG2 3.95Å; Y323-I335 HydrophobicContact CD2-CD1 3.54Å; Y323-I335 HydrophobicContact CE2-CD1 3.57Å; E331-I335 WeakPolarHBondContact O-CG1 2.96Å; E331-I335 PolarHBondContact O-N 3.27Å; E331-I335 VanDerWaalsContact O-N 3.08Å; I335-K337 PolarHBondContact O-N 3.47Å; I335-E338 WeakPolarHBondContact O-CB 3.45Å; I335-E338 PolarHBondContact O-N 3.09Å; I335-V339 HydrophobicContact CG2-CG2 4.45Å; I335-V339 WeakPolarHBondContact O-CG2 3.31Å; I335-V339 PolarHBondContact O-N 3.37Å
336L92.8Very high91.7Very high6 Ų656 Ų563%0.03127%0.27CS..Hα-helixtrans-67.8-33.6179.4-76.9171.1000113.1N317 A320 A332 S333 D334 E338 V339 I340 N360 L361 L364N317-L336 WeakPolarHBondContact OD1-CD2 3.42Å; A320-L336 HydrophobicContact CB-CD1 4.28Å; A320-L336 HydrophobicContact CB-CD2 4.02Å; A320-L336 HydrophobicContact CB-CG 3.73Å; A332-L336 WeakPolarHBondContact O-CG 3.44Å; A332-L336 PolarHBondContact O-N 3.06Å; A332-L336 VanDerWaalsContact O-N 3.09Å; S333-L336 PolarHBondContact O-N 3.5Å; D334-L336 VanDerWaalsContact C-N 3.35Å; D334-L336 PolarHBondContact O-N 3.14Å; L336-E338 VanDerWaalsContact C-N 3.3Å; L336-V339 PolarHBondContact O-N 2.86Å; L336-I340 WeakPolarHBondContact O-CD1 3.36Å; L336-I340 VanDerWaalsContact O-CG1 3.26Å; L336-I340 WeakPolarHBondContact O-CG1 3.3Å; L336-I340 PolarHBondContact O-N 3.41Å; L336-N360 HydrophobicContact CD1-CB 3.96Å; L336-N360 HydrophobicContact CD2-CB 4.02Å; L336-L361 HydrophobicContact CB-CB 4.2Å; L336-L361 HydrophobicContact CB-CD1 3.84Å; L336-L361 HydrophobicContact CB-CG 4.25Å; L336-L361 HydrophobicContact CD1-CB 4.22Å; L336-L364 HydrophobicContact CD1-CD2 4.13Å
337K94.9Very high91.8Very high98 Ų9857.2 Ų57.243%0.42628%0.278SS..Hα-helixtrans-61.8-42.3171.6-69.3170.6-167.3155.70110.7S333 D334 I335 I340 N341 L361S333-K337 WeakPolarHBondContact O-CG 3.42Å; S333-K337 PolarHBondContact O-N 3.23Å; D334-K337 PolarHBondContact O-N 3.1Å; D334-K337 IonicContact OD1-NZ 3.42Å; D334-K337 PolarHBondContact OD1-NZ 3.16Å; I335-K337 PolarHBondContact O-N 3.47Å; K337-I340 PolarHBondContact O-N 2.7Å; K337-N341 PolarHBondContact O-N 3.45Å; K337-L361 HydrophobicContact CG-CD1 3.71Å
338E93.5Very high92Very high54 Ų5456.5 Ų56.525%0.25227%0.271SS..Hα-helixtrans-61.7-46.4175.5-166.1-174157.800111.6R307 D334 I335 L336 I340 N341 I342R307-E338 IonicContact CZ-OE1 2.7Å; R307-E338 VanDerWaalsContact CZ-OE1 3.23Å; R307-E338 IonicContact NE-OE1 2.63Å; R307-E338 PolarHBondContact NE-OE1 3.39Å; R307-E338 IonicContact NH2-OE1 3.19Å; R307-E338 PolarHBondContact NH2-OE1 2.97Å; R307-E338 IonicContact NH2-OE2 3.17Å; R307-E338 PolarHBondContact NH2-OE2 3.22Å; R307-E338 VanDerWaalsContact NH2-OE2 3.13Å; D334-E338 PolarHBondContact O-N 3.05Å; D334-E338 VanDerWaalsContact O-N 3.07Å; I335-E338 WeakPolarHBondContact O-CB 3.45Å; I335-E338 PolarHBondContact O-N 3.09Å; L336-E338 VanDerWaalsContact C-N 3.3Å; E338-I340 VanDerWaalsContact C-N 3.29Å; E338-I340 PolarHBondContact O-N 2.93Å; E338-N341 PolarHBondContact O-N 3.43Å; E338-N341 VanDerWaalsContact O-N 3.15Å; E338-I342 HydrophobicContact CG-CD1 4.06Å; E338-I342 WeakPolarHBondContact O-CG1 3.41Å; E338-I342 PolarHBondContact O-N 3.43Å
339V91.6Very high92Very high0 Ų056.8 Ų56.80%028%0.281CS..Hα-helixtrans-57.6-41.8175.3171.10000111.8A313 L316 N317 I335 L336 R343 A357A313-V339 HydrophobicContact CB-CG1 4.5Å; L316-V339 HydrophobicContact CB-CG2 3.42Å; L316-V339 VanDerWaalsContact CB-CG2 3.42Å; L316-V339 HydrophobicContact CD1-CG2 4.4Å; N317-V339 HydrophobicContact CB-CG1 4.28Å; N317-V339 HydrophobicContact CB-CG2 4.33Å; I335-V339 HydrophobicContact CG2-CG2 4.45Å; I335-V339 WeakPolarHBondContact O-CG2 3.31Å; I335-V339 PolarHBondContact O-N 3.37Å; L336-V339 PolarHBondContact O-N 2.86Å; V339-R343 HydrophobicContact CG1-CG 4.36Å; V339-R343 WeakPolarHBondContact O-CB 3.4Å; V339-R343 VanDerWaalsContact O-CG 3.24Å; V339-R343 WeakPolarHBondContact O-CG 3.37Å; V339-R343 PolarHBondContact O-N 3.33Å; V339-A357 HydrophobicContact CG1-CB 4.03Å
340I92.7Very high92Very high11 Ų1156.9 Ų56.96%0.05629%0.287CS..Hα-helixtrans-62.6-47.8176.9-68.8160000109.9L336 K337 E338 I342 R343 E344 A357 L358 L361L336-I340 WeakPolarHBondContact O-CD1 3.36Å; L336-I340 VanDerWaalsContact O-CG1 3.26Å; L336-I340 WeakPolarHBondContact O-CG1 3.3Å; L336-I340 PolarHBondContact O-N 3.41Å; K337-I340 PolarHBondContact O-N 2.7Å; E338-I340 VanDerWaalsContact C-N 3.29Å; E338-I340 PolarHBondContact O-N 2.93Å; I340-I342 PolarHBondContact O-N 3.23Å; I340-R343 PolarHBondContact O-N 3.26Å; I340-E344 HydrophobicContact CG2-CG 4.17Å; I340-E344 WeakPolarHBondContact CG2-OE1 3.06Å; I340-E344 WeakPolarHBondContact O-CB 3.4Å; I340-E344 WeakPolarHBondContact O-CG 3.38Å; I340-E344 PolarHBondContact O-N 2.94Å; I340-A357 HydrophobicContact CD1-CB 4.45Å; I340-A357 HydrophobicContact CG1-CB 3.57Å; I340-L358 HydrophobicContact CD1-CD2 3.83Å; I340-L358 HydrophobicContact CD1-CG 4.27Å; I340-L358 HydrophobicContact CG1-CD2 4.49Å; I340-L361 HydrophobicContact CD1-CB 4.36Å; I340-L361 HydrophobicContact CD1-CD1 3.72Å
341N94.2Very high91.8Very high93 Ų9351.7 Ų51.750%0.49727%0.265SS..Hα-helixtrans-60-45.9179-70.2-14.5000112.1K337 E338 E344 K345K337-N341 PolarHBondContact O-N 3.45Å; E338-N341 PolarHBondContact O-N 3.43Å; E338-N341 VanDerWaalsContact O-N 3.15Å; N341-E344 PolarHBondContact O-N 2.85Å; N341-K345 WeakPolarHBondContact O-CG 3.3Å; N341-K345 PolarHBondContact O-N 2.83Å
342I91Very high91.5Very high5 Ų549.1 Ų49.13%0.02626%0.256CS..Hα-helixtrans-62.3-45.3177.6-64.2164.7000110.2A313 L316 E338 I340 K345 L346A313-I342 HydrophobicContact CB-CB 4.28Å; A313-I342 HydrophobicContact CB-CG2 3.85Å; L316-I342 HydrophobicContact CD1-CD1 3.95Å; E338-I342 HydrophobicContact CG-CD1 4.06Å; E338-I342 WeakPolarHBondContact O-CG1 3.41Å; E338-I342 PolarHBondContact O-N 3.43Å; I340-I342 PolarHBondContact O-N 3.23Å; I342-K345 PolarHBondContact O-N 3.27Å; I342-L346 HydrophobicContact CG2-CD1 3.69Å; I342-L346 HydrophobicContact CG2-CG 4.37Å; I342-L346 WeakPolarHBondContact O-CB 3.17Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.03Å
343R91Very high91.1Very high11 Ų1150.3 Ų50.34%0.04226%0.262CS..Hα-helixtrans-67.4-37.2179.8-72.9178.3179.5175.39.2112.9A313 V339 I340 L346 L347 L353 V354A313-R343 HydrophobicContact CB-CG 4.2Å; A313-R343 PolarHBondContact O-NH2 3.07Å; V339-R343 HydrophobicContact CG1-CG 4.36Å; V339-R343 WeakPolarHBondContact O-CB 3.4Å; V339-R343 VanDerWaalsContact O-CG 3.24Å; V339-R343 WeakPolarHBondContact O-CG 3.37Å; V339-R343 PolarHBondContact O-N 3.33Å; I340-R343 PolarHBondContact O-N 3.26Å; R343-L346 PolarHBondContact O-N 3.44Å; R343-L347 HydrophobicContact CB-CD1 4.28Å; R343-L347 HydrophobicContact CG-CD1 4.4Å; R343-L347 VanDerWaalsContact O-CB 3.27Å; R343-L347 WeakPolarHBondContact O-CB 3.44Å; R343-L347 PolarHBondContact O-N 3.38Å; R343-L353 WeakPolarHBondContact CD-O 3.5Å; R343-L353 PolarHBondContact NH1-O 3.47Å; R343-V354 HydrophobicContact CB-CG2 3.76Å
344E93Very high90.9Very high56 Ų5650.1 Ų50.126%0.26226%0.26SS..Hα-helixtrans-66.1-40.8175.8-76.4-180-179.500111.5I340 N341 G348 V354 R380I340-E344 HydrophobicContact CG2-CG 4.17Å; I340-E344 WeakPolarHBondContact CG2-OE1 3.06Å; I340-E344 WeakPolarHBondContact O-CB 3.4Å; I340-E344 WeakPolarHBondContact O-CG 3.38Å; I340-E344 PolarHBondContact O-N 2.94Å; N341-E344 PolarHBondContact O-N 2.85Å; E344-G348 VanDerWaalsContact O-CA 3.25Å; E344-G348 WeakPolarHBondContact O-CA 3.47Å; E344-G348 PolarHBondContact O-N 3.21Å; E344-V354 HydrophobicContact CG-CG1 3.91Å; E344-V354 HydrophobicContact CG-CG2 4.04Å; E344-R380 IonicContact OE1-CZ 2.66Å; E344-R380 IonicContact OE1-NH1 3.31Å; E344-R380 PolarHBondContact OE1-NH1 3.09Å; E344-R380 IonicContact OE1-NH2 3.24Å; E344-R380 PolarHBondContact OE1-NH2 2.66Å
345K92.2Very high90.7Very high143 Ų14345.9 Ų45.962%0.62224%0.238SC*.Hα-helixtrans-62.8-44.2173.7-74178.5-179.9-179.80112.5D308 N341 I342D308-K345 IonicContact OD1-NZ 3.63Å; D308-K345 PolarHBondContact OD1-NZ 3.47Å; D308-K345 IonicContact OD2-NZ 2.71Å; D308-K345 PolarHBondContact OD2-NZ 3.06Å; N341-K345 WeakPolarHBondContact O-CG 3.3Å; N341-K345 PolarHBondContact O-N 2.83Å; I342-K345 PolarHBondContact O-N 3.27Å
346L89Confident90.3Very high80 Ų8045.5 Ų45.542%0.41924%0.238SC..Hα-helixtrans-79.2-32.9-174.5-71.2174.4000114.1D308 A310 I342 R343D308-L346 WeakPolarHBondContact O-CD1 3.48Å; D308-L346 WeakPolarHBondContact O-CD2 3.42Å; A310-L346 HydrophobicContact CB-CD1 4.27Å; I342-L346 HydrophobicContact CG2-CD1 3.69Å; I342-L346 HydrophobicContact CG2-CG 4.37Å; I342-L346 WeakPolarHBondContact O-CB 3.17Å; I342-L346 WeakPolarHBondContact O-CG 3.44Å; I342-L346 PolarHBondContact O-N 3.03Å; R343-L346 PolarHBondContact O-N 3.44Å
347L88.2Confident90.1Very high72 Ų7245.2 Ų45.238%0.37724%0.236SC..Hα-helixtrans-125.6-11.6-166-54.2159.6000113.6R343 H351 L353R343-L347 HydrophobicContact CB-CD1 4.28Å; R343-L347 HydrophobicContact CG-CD1 4.4Å; R343-L347 VanDerWaalsContact O-CB 3.27Å; R343-L347 WeakPolarHBondContact O-CB 3.44Å; R343-L347 PolarHBondContact O-N 3.38Å; L347-H351 HydrophobicContact CB-CB 3.88Å; L347-L353 HydrophobicContact CD1-CB 4.15Å; L347-L353 HydrophobicContact CD1-CD1 3.95Å
348G90.1Very high89.9Confident23 Ų2340.7 Ų40.724%0.23722%0.217CC..  trans86.3179.7-177.200000115.6E344E344-G348 VanDerWaalsContact O-CA 3.25Å; E344-G348 WeakPolarHBondContact O-CA 3.47Å; E344-G348 PolarHBondContact O-N 3.21Å
349P90.5Very high89.8Confident88 Ų8838.5 Ų38.557%0.57121%0.207SC*.SBendtrans-79.4-25.4-171.330.1-35.5000115.1I384P349-I384 WeakPolarHBondContact O-CD1 3.31Å
350N89.4Confident89.7Confident82 Ų8239.9 Ų39.944%0.43921%0.214SC..SBendtrans-104.869.1176.2-66.6-37.9000109.5L388N350-L388 HydrophobicContact CB-CD2 4.28Å; N350-L388 WeakPolarHBondContact O-CD1 3.46Å; N350-L388 WeakPolarHBondContact O-CD2 3.32Å
351H88.1Confident89.6Confident58 Ų5839.6 Ų39.627%0.26921%0.213SC..  trans-128.7142.8174.6-164.6-89.4000112.9L347 L353 V354 A355L347-H351 HydrophobicContact CB-CB 3.88Å; H351-L353 VanDerWaalsContact C-N 3.3Å; H351-L353 PolarHBondContact ND1-N 3.38Å; H351-L353 VanDerWaalsContact ND1-N 3.16Å; H351-L353 PolarHBondContact O-N 3.01Å; H351-V354 HydrophobicContact CB-CG2 4.21Å; H351-V354 WeakPolarHBondContact O-CB 3.43Å; H351-V354 PolarHBondContact O-N 2.98Å; H351-A355 PolarHBondContact O-N 3.27Å; H351-A355 VanDerWaalsContact O-N 3.12Å
352V86Confident89.5Confident37 Ų3735.2 Ų35.222%0.22419%0.189CC..Hα-helixtrans-60-38.1-176.1-177.60000112V354 A355 A356 L388 L389V352-V354 VanDerWaalsContact C-N 3.34Å; V352-V354 PolarHBondContact O-N 2.74Å; V352-A355 WeakPolarHBondContact O-CB 3.29Å; V352-A355 PolarHBondContact O-N 3.2Å; V352-A356 PolarHBondContact O-N 3.45Å; V352-L388 HydrophobicContact CG2-CB 4.5Å; V352-L388 HydrophobicContact CG2-CD1 3.76Å; V352-L389 HydrophobicContact CG2-CD2 4.26Å
353L83.9Confident89.2Confident25 Ų2535.5 Ų35.513%0.13119%0.192CC..Hα-helixtrans-68.9-28.8177.4-61.1178.5000113.7Y266 R343 L347 H351 A357Y266-L353 HydrophobicContact CD1-CD1 4.35Å; Y266-L353 HydrophobicContact CG-CD1 4.45Å; R343-L353 WeakPolarHBondContact CD-O 3.5Å; R343-L353 PolarHBondContact NH1-O 3.47Å; L347-L353 HydrophobicContact CD1-CB 4.15Å; L347-L353 HydrophobicContact CD1-CD1 3.95Å; H351-L353 VanDerWaalsContact C-N 3.3Å; H351-L353 PolarHBondContact ND1-N 3.38Å; H351-L353 VanDerWaalsContact ND1-N 3.16Å; H351-L353 PolarHBondContact O-N 3.01Å; L353-A357 PolarHBondContact O-N 3.16Å; L353-A357 VanDerWaalsContact O-N 3.14Å
354V88.4Confident89Confident0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-69.6-45.4171.8175.50000109R343 E344 H351 V352 A356 A357 L358 I384R343-V354 HydrophobicContact CB-CG2 3.76Å; E344-V354 HydrophobicContact CG-CG1 3.91Å; E344-V354 HydrophobicContact CG-CG2 4.04Å; H351-V354 HydrophobicContact CB-CG2 4.21Å; H351-V354 WeakPolarHBondContact O-CB 3.43Å; H351-V354 PolarHBondContact O-N 2.98Å; V352-V354 VanDerWaalsContact C-N 3.34Å; V352-V354 PolarHBondContact O-N 2.74Å; V354-A356 VanDerWaalsContact C-N 3.29Å; V354-A356 PolarHBondContact O-N 2.99Å; V354-A357 PolarHBondContact O-N 3.19Å; V354-L358 HydrophobicContact CG1-CD1 3.94Å; V354-L358 HydrophobicContact CG1-CG 4.39Å; V354-L358 WeakPolarHBondContact O-CB 3.36Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.13Å; V354-I384 HydrophobicContact CG1-CD1 4.42Å
355A89.5Confident88.9Confident0 Ų033.1 Ų33.10%018%0.181CC..Hα-helixtrans-59.5-37.6174.800000112.8H351 V352 N359 A381 I384 R385H351-A355 PolarHBondContact O-N 3.27Å; H351-A355 VanDerWaalsContact O-N 3.12Å; V352-A355 WeakPolarHBondContact O-CB 3.29Å; V352-A355 PolarHBondContact O-N 3.2Å; A355-N359 WeakPolarHBondContact O-CB 3.38Å; A355-N359 PolarHBondContact O-N 2.66Å; A355-A381 HydrophobicContact CB-CB 4.23Å; A355-I384 HydrophobicContact CB-CB 4.08Å; A355-I384 HydrophobicContact CB-CD1 4.49Å; A355-I384 HydrophobicContact CB-CG2 3.88Å; A355-R385 HydrophobicContact CB-CG 4.07Å
356A86.5Confident88.6Confident14 Ų1426.4 Ų26.412%0.11615%0.152CC..Hα-helixtrans-64.1-45.5174.700000112.4V352 V354 N359 N360V352-A356 PolarHBondContact O-N 3.45Å; V354-A356 VanDerWaalsContact C-N 3.29Å; V354-A356 PolarHBondContact O-N 2.99Å; A356-N359 PolarHBondContact O-N 3.31Å; A356-N360 PolarHBondContact O-N 2.71Å
357A87.5Confident88.4Confident0 Ų025.6 Ų25.60%015%0.145CC..Hα-helixtrans-65.5-41177.500000112.2V339 I340 L353 V354 N359 N360 L361V339-A357 HydrophobicContact CG1-CB 4.03Å; I340-A357 HydrophobicContact CD1-CB 4.45Å; I340-A357 HydrophobicContact CG1-CB 3.57Å; L353-A357 PolarHBondContact O-N 3.16Å; L353-A357 VanDerWaalsContact O-N 3.14Å; V354-A357 PolarHBondContact O-N 3.19Å; A357-N359 VanDerWaalsContact C-N 3.34Å; A357-N359 PolarHBondContact O-N 2.91Å; A357-N360 PolarHBondContact O-N 3.02Å; A357-L361 PolarHBondContact O-N 2.74Å
358L92.5Very high88.3Confident2 Ų223.7 Ų23.71%0.0114%0.14CC..Hα-helixtrans-59.6-42.8174-74.4167.7000112.1I340 V354 L361 A362 L377 R380 A381 I384I340-L358 HydrophobicContact CD1-CD2 3.83Å; I340-L358 HydrophobicContact CD1-CG 4.27Å; I340-L358 HydrophobicContact CG1-CD2 4.49Å; V354-L358 HydrophobicContact CG1-CD1 3.94Å; V354-L358 HydrophobicContact CG1-CG 4.39Å; V354-L358 WeakPolarHBondContact O-CB 3.36Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.13Å; L358-L361 PolarHBondContact O-N 2.93Å; L358-A362 WeakPolarHBondContact O-CB 3.45Å; L358-A362 PolarHBondContact O-N 3.13Å; L358-L377 HydrophobicContact CD2-CD2 3.81Å; L358-R380 HydrophobicContact CD1-CB 4.35Å; L358-R380 HydrophobicContact CD1-CG 3.85Å; L358-A381 HydrophobicContact CB-CB 4.05Å; L358-I384 HydrophobicContact CD1-CD1 3.84Å
359N90.8Very high88.1Confident9 Ų924.8 Ų24.85%0.04815%0.151CC..Hα-helixtrans-64.6-42.7175.9-176.774.2000111.9A355 A356 A357 L361 A362 V363 Q399 N402A355-N359 WeakPolarHBondContact O-CB 3.38Å; A355-N359 PolarHBondContact O-N 2.66Å; A356-N359 PolarHBondContact O-N 3.31Å; A357-N359 VanDerWaalsContact C-N 3.34Å; A357-N359 PolarHBondContact O-N 2.91Å; N359-L361 VanDerWaalsContact C-N 3.28Å; N359-L361 PolarHBondContact O-N 2.88Å; N359-A362 PolarHBondContact O-N 3.37Å; N359-V363 WeakPolarHBondContact O-CG2 3.29Å; N359-V363 PolarHBondContact O-N 3.31Å; N359-Q399 PolarHBondContact OD1-NE2 3.43Å; N359-Q399 PolarHBondContact OD1-OE1 3.32Å; N359-N402 PolarHBondContact ND2-ND2 3.44Å; N359-N402 PolarHBondContact OD1-ND2 3.28Å
360N88.5Confident88Confident28 Ų2824.1 Ų24.115%0.1514%0.137CC..Hα-helixtrans-59.7-41175.7-72-12.3000111.7N317 L336 A356 A357 V363 L364N317-N360 PolarHBondContact OD1-ND2 3.29Å; L336-N360 HydrophobicContact CD1-CB 3.96Å; L336-N360 HydrophobicContact CD2-CB 4.02Å; A356-N360 PolarHBondContact O-N 2.71Å; A357-N360 PolarHBondContact O-N 3.02Å; N360-V363 PolarHBondContact O-N 3.2Å; N360-L364 WeakPolarHBondContact O-CB 3.42Å; N360-L364 PolarHBondContact O-N 3.03Å
361L92Very high88Confident5 Ų522.4 Ų22.43%0.02613%0.126CC..Hα-helixtrans-68.2-40.2177.9-163.3151.7000111.4L336 K337 I340 A357 L358 N359 L364 H365 L377L336-L361 HydrophobicContact CB-CB 4.2Å; L336-L361 HydrophobicContact CB-CD1 3.84Å; L336-L361 HydrophobicContact CB-CG 4.25Å; L336-L361 HydrophobicContact CD1-CB 4.22Å; K337-L361 HydrophobicContact CG-CD1 3.71Å; I340-L361 HydrophobicContact CD1-CB 4.36Å; I340-L361 HydrophobicContact CD1-CD1 3.72Å; A357-L361 PolarHBondContact O-N 2.74Å; L358-L361 PolarHBondContact O-N 2.93Å; N359-L361 VanDerWaalsContact C-N 3.28Å; N359-L361 PolarHBondContact O-N 2.88Å; L361-L364 WeakPolarHBondContact O-CB 3.19Å; L361-L364 PolarHBondContact O-N 3.07Å; L361-H365 WeakPolarHBondContact CD2-NE2 3.42Å; L361-H365 PolarHBondContact O-N 3.02Å; L361-L377 HydrophobicContact CD2-CD1 3.14Å; L361-L377 HydrophobicContact CD2-CD2 4.21Å; L361-L377 HydrophobicContact CD2-CG 4.27Å; L361-L377 HydrophobicContact CG-CD1 4.45Å
362A90.5Very high88.1Confident1 Ų124.6 Ų24.61%0.00814%0.144CC..Hα-helixtrans-60.7-45.4173.900000112.2L358 N359 L364 H365 A366 A374 L377 C378L358-A362 WeakPolarHBondContact O-CB 3.45Å; L358-A362 PolarHBondContact O-N 3.13Å; N359-A362 PolarHBondContact O-N 3.37Å; A362-L364 VanDerWaalsContact C-N 3.3Å; A362-L364 PolarHBondContact O-N 3.34Å; A362-H365 PolarHBondContact O-N 3.46Å; A362-A366 WeakPolarHBondContact O-CB 3.5Å; A362-A366 PolarHBondContact O-N 3.28Å; A362-A374 HydrophobicContact CB-CB 4.37Å; A362-A374 WeakPolarHBondContact O-CB 3.42Å; A362-L377 HydrophobicContact CB-CB 4Å; A362-C378 HydrophobicContact CB-CB 4.21Å
363V85.9Confident88.4Confident12 Ų1227.1 Ų27.17%0.07315%0.153CC..Hα-helixtrans-62.4-38.9176.5171.70000111.1L234 L235 N359 N360 A366 K367L234-V363 HydrophobicContact CD2-CG1 4.18Å; L235-V363 HydrophobicContact CD2-CG1 3.96Å; L235-V363 HydrophobicContact CG-CG1 4.47Å; N359-V363 WeakPolarHBondContact O-CG2 3.29Å; N359-V363 PolarHBondContact O-N 3.31Å; N360-V363 PolarHBondContact O-N 3.2Å; V363-A366 WeakPolarHBondContact O-CB 3.1Å; V363-A366 PolarHBondContact O-N 2.81Å; V363-K367 PolarHBondContact O-N 3.29Å
364L87.3Confident88.7Confident2 Ų226 Ų261%0.0115%0.147CC..Hα-helixtrans-64.9-43.9176.7-168.571.9000112.3R324 Y329 A332 L336 N360 L361 A362 A366 K367 A368R324-L364 HydrophobicContact CB-CD1 3.91Å; R324-L364 HydrophobicContact CG-CD1 3.74Å; Y329-L364 HydrophobicContact CD1-CD1 3.58Å; Y329-L364 HydrophobicContact CE1-CD1 4.4Å; Y329-L364 HydrophobicContact CG-CD1 4.41Å; Y329-L364 WeakPolarHBondContact O-CD2 3.49Å; A332-L364 VanDerWaalsContact C-CD2 3.45Å; A332-L364 HydrophobicContact CB-CD1 3.99Å; A332-L364 HydrophobicContact CB-CD2 3.63Å; A332-L364 HydrophobicContact CB-CG 4.47Å; L336-L364 HydrophobicContact CD1-CD2 4.13Å; N360-L364 WeakPolarHBondContact O-CB 3.42Å; N360-L364 PolarHBondContact O-N 3.03Å; L361-L364 WeakPolarHBondContact O-CB 3.19Å; L361-L364 PolarHBondContact O-N 3.07Å; A362-L364 VanDerWaalsContact C-N 3.3Å; A362-L364 PolarHBondContact O-N 3.34Å; L364-A366 VanDerWaalsContact C-N 3.34Å; L364-K367 PolarHBondContact O-N 3.34Å; L364-A368 PolarHBondContact O-N 3.42Å; L364-A368 VanDerWaalsContact O-N 3.1Å
365H89.9Confident88.9Confident14 Ų1426.6 Ų26.67%0.06515%0.15CC..Hα-helixtrans-63.1-39.6174.1-76.4-5.6000112.2S333 L361 A362 A368 G369 R370 E373 A374S333-H365 PolarHBondContact OG-CE1 3.21Å; S333-H365 VanDerWaalsContact OG-CE1 3.24Å; L361-H365 WeakPolarHBondContact CD2-NE2 3.42Å; L361-H365 PolarHBondContact O-N 3.02Å; A362-H365 PolarHBondContact O-N 3.46Å; H365-A368 CarbonylContact O-C 3.53Å; H365-A368 PolarHBondContact O-N 3.08Å; H365-G369 PolarHBondContact O-N 3.3Å; H365-R370 HydrophobicContact CB-CB 4.39Å; H365-R370 PolarHBondContact CE1-NH2 3.19Å; H365-R370 PolarHBondContact ND1-NH2 3.48Å; H365-R370 PolarHBondContact O-N 3.3Å; H365-E373 IonicContact CD2-OE2 2.65Å; H365-E373 IonicContact NE2-OE2 3.89Å; H365-A374 HydrophobicContact CB-CB 3.9Å
366A86.7Confident89.1Confident3 Ų330.2 Ų30.23%0.02517%0.173CC..Hα-helixtrans-62.1-45.6175.300000112.5A362 V363 L364 A368 G369 F371 L406A362-A366 WeakPolarHBondContact O-CB 3.5Å; A362-A366 PolarHBondContact O-N 3.28Å; V363-A366 WeakPolarHBondContact O-CB 3.1Å; V363-A366 PolarHBondContact O-N 2.81Å; L364-A366 VanDerWaalsContact C-N 3.34Å; A366-A368 PolarHBondContact O-N 2.95Å; A366-G369 PolarHBondContact O-N 2.88Å; A366-F371 HydrophobicContact CB-CD1 4.24Å; A366-F371 HydrophobicContact CB-CE1 4.23Å; A366-F371 VanDerWaalsContact O-CE1 3.32Å; A366-F371 WeakPolarHBondContact O-CE1 3.34Å; A366-L406 HydrophobicContact CB-CD2 3.41Å; A366-L406 VanDerWaalsContact CB-CD2 3.41Å
367K84.2Confident89.5Confident62 Ų6231.2 Ų31.227%0.2718%0.177SC..Hα-helixtrans-59.2-34.8173.8-79.8-159.6179.2-166.20112.8L235 R324 Y329 V363 L364 G369L235-K367 HydrophobicContact CD1-CD 4.43Å; L235-K367 VanDerWaalsContact CD1-NZ 3.28Å; R324-K367 HydrophobicContact CG-CD 4.23Å; Y329-K367 HydrophobicContact CE1-CB 4.24Å; Y329-K367 HydrophobicContact CE1-CD 4.04Å; V363-K367 PolarHBondContact O-N 3.29Å; L364-K367 PolarHBondContact O-N 3.34Å; K367-G369 PolarHBondContact O-N 3.33Å
368A85.9Confident89.7Confident33 Ų3331.2 Ų31.227%0.27318%0.177SC..THydrogen-bonded Turntrans-81.45.9176.600000113.8Y329 L364 H365 A366 R370Y329-A368 HydrophobicContact CD2-CB 4.47Å; L364-A368 PolarHBondContact O-N 3.42Å; L364-A368 VanDerWaalsContact O-N 3.1Å; H365-A368 CarbonylContact O-C 3.53Å; H365-A368 PolarHBondContact O-N 3.08Å; A366-A368 PolarHBondContact O-N 2.95Å; A368-R370 VanDerWaalsContact C-N 3.32Å; A368-R370 VanDerWaalsContact CB-NH1 3.3Å; A368-R370 PolarHBondContact O-N 3.22Å
369G85.6Confident89.8Confident45 Ų4536 Ų3646%0.46420%0.195SC..THydrogen-bonded Turntrans78.85179.700000115.5H365 A366 K367 F371H365-G369 PolarHBondContact O-N 3.3Å; A366-G369 PolarHBondContact O-N 2.88Å; K367-G369 PolarHBondContact O-N 3.33Å; G369-F371 WeakPolarHBondContact O-CD2 3.36Å; G369-F371 PolarHBondContact O-N 3.37Å
370R89Confident90Very high75 Ų7540.3 Ų40.328%0.28321%0.21SC..  trans-93.668-177.8-61.4-169.8-59-83.7-1.6111.5H365 A368 T372 E373 A374H365-R370 HydrophobicContact CB-CB 4.39Å; H365-R370 PolarHBondContact CE1-NH2 3.19Å; H365-R370 PolarHBondContact ND1-NH2 3.48Å; H365-R370 PolarHBondContact O-N 3.3Å; A368-R370 VanDerWaalsContact C-N 3.32Å; A368-R370 VanDerWaalsContact CB-NH1 3.3Å; A368-R370 PolarHBondContact O-N 3.22Å; R370-T372 PolarHBondContact O-N 2.98Å; R370-E373 HydrophobicContact CB-CB 4.31Å; R370-E373 HydrophobicContact CB-CG 4.41Å; R370-E373 WeakPolarHBondContact CD-OE2 3.45Å; R370-E373 IonicContact NE-OE2 2.87Å; R370-E373 PolarHBondContact NE-OE2 2.86Å; R370-E373 PolarHBondContact O-N 3.38Å; R370-A374 PolarHBondContact O-N 3.34Å
371F89.9Confident90.2Very high45 Ų4539 Ų3920%0.19720%0.203CC..Hα-helixtrans-67.4-33.5-175.2-52.9-63.6000113.9M230 A366 G369 E373 A374 E375 L406 Q410M230-F371 HydrophobicContact CE-CE1 3.54Å; M230-F371 HydrophobicContact CE-CZ 3.45Å; M230-F371 VanDerWaalsContact CE-CZ 3.45Å; M230-F371 HydrophobicContact SD-CE1 3.96Å; M230-F371 HydrophobicContact SD-CZ 4.28Å; A366-F371 HydrophobicContact CB-CD1 4.24Å; A366-F371 HydrophobicContact CB-CE1 4.23Å; A366-F371 VanDerWaalsContact O-CE1 3.32Å; A366-F371 WeakPolarHBondContact O-CE1 3.34Å; G369-F371 WeakPolarHBondContact O-CD2 3.36Å; G369-F371 PolarHBondContact O-N 3.37Å; F371-E373 VanDerWaalsContact C-N 3.34Å; F371-A374 PolarHBondContact O-N 3.42Å; F371-E375 PolarHBondContact O-N 3.47Å; F371-E375 VanDerWaalsContact O-N 3.14Å; F371-L406 HydrophobicContact CD1-CD2 4.49Å; F371-Q410 HydrophobicContact CB-CG 3.75Å; F371-Q410 PolarHBondContact O-NE2 3.36Å
372T90Very high90.2Very high105 Ų10539.5 Ų39.564%0.64421%0.206SC*.Hα-helixtrans-67-34.3179.150.60000112.3R370 P376R370-T372 PolarHBondContact O-N 2.98Å; T372-P376 WeakPolarHBondContact O-CD 3.43Å
373E91.1Very high90.4Very high90 Ų9041.7 Ų41.742%0.42122%0.221SC..Hα-helixtrans-75.9-32.5173.6-65.6175.6-171.200111.9H365 R370 F371 P376 L377H365-E373 IonicContact CD2-OE2 2.65Å; H365-E373 IonicContact NE2-OE2 3.89Å; R370-E373 HydrophobicContact CB-CB 4.31Å; R370-E373 HydrophobicContact CB-CG 4.41Å; R370-E373 WeakPolarHBondContact CD-OE2 3.45Å; R370-E373 IonicContact NE-OE2 2.87Å; R370-E373 PolarHBondContact NE-OE2 2.86Å; R370-E373 PolarHBondContact O-N 3.38Å; F371-E373 VanDerWaalsContact C-N 3.34Å; E373-P376 WeakPolarHBondContact O-CD 3.2Å; E373-P376 WeakPolarHBondContact O-CG 3.42Å; E373-L377 WeakPolarHBondContact O-CD1 3.44Å
374A91.8Very high90.7Very high0 Ų041.4 Ų41.40%022%0.219CC..Hα-helixtrans-72.3-38.1-178.100000113.8A362 H365 R370 F371 L377 C378 L406A362-A374 HydrophobicContact CB-CB 4.37Å; A362-A374 WeakPolarHBondContact O-CB 3.42Å; H365-A374 HydrophobicContact CB-CB 3.9Å; R370-A374 PolarHBondContact O-N 3.34Å; F371-A374 PolarHBondContact O-N 3.42Å; A374-L377 PolarHBondContact O-N 2.91Å; A374-C378 WeakPolarHBondContact O-CB 3.45Å; A374-C378 PolarHBondContact O-N 3.28Å; A374-L406 HydrophobicContact CB-CD1 4.12Å; A374-L406 HydrophobicContact CB-CD2 3.8Å
375E91.5Very high91Very high14 Ų1442.4 Ų42.47%0.06522%0.223CC..Hα-helixtrans-55.4-51-177.8-178.1179.9166.200114.7F371 L377 C378 R379 Q410 K412F371-E375 PolarHBondContact O-N 3.47Å; F371-E375 VanDerWaalsContact O-N 3.14Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 3.39Å; E375-C378 PolarHBondContact O-N 3.05Å; E375-R379 PolarHBondContact O-N 3.45Å; E375-R379 IonicContact OE1-CZ 3.13Å; E375-R379 IonicContact OE1-NH1 3.32Å; E375-R379 PolarHBondContact OE1-NH1 3.37Å; E375-R379 IonicContact OE1-NH2 2.66Å; E375-R379 PolarHBondContact OE1-NH2 2.74Å; E375-Q410 VanDerWaalsContact OE2-CD 3.25Å; E375-Q410 PolarHBondContact OE2-NE2 3.26Å; E375-Q410 PolarHBondContact OE2-OE1 3.02Å; E375-K412 IonicContact OE1-NZ 3.77Å; E375-K412 PolarHBondContact OE1-NZ 3.02Å; E375-K412 IonicContact OE2-NZ 2.9Å; E375-K412 PolarHBondContact OE2-NZ 3.38Å
376P95Very high91.1Very high75 Ų7544.4 Ų44.449%0.48723%0.232SC..Hα-helixtrans-62.8-35.4-179.723.6-34.4000112.6T372 E373 R379 R380T372-P376 WeakPolarHBondContact O-CD 3.43Å; E373-P376 WeakPolarHBondContact O-CD 3.2Å; E373-P376 WeakPolarHBondContact O-CG 3.42Å; P376-R379 PolarHBondContact O-N 3.41Å; P376-R380 WeakPolarHBondContact O-CB 3.48Å; P376-R380 PolarHBondContact O-N 3Å
377L94.3Very high91.4Very high36 Ų3650.9 Ų50.919%0.18826%0.26CS..Hα-helixtrans-66.4-43176.9-62162.2000111.4L358 L361 A362 E373 A374 E375 R380 A381L358-L377 HydrophobicContact CD2-CD2 3.81Å; L361-L377 HydrophobicContact CD2-CD1 3.14Å; L361-L377 HydrophobicContact CD2-CD2 4.21Å; L361-L377 HydrophobicContact CD2-CG 4.27Å; L361-L377 HydrophobicContact CG-CD1 4.45Å; A362-L377 HydrophobicContact CB-CB 4Å; E373-L377 WeakPolarHBondContact O-CD1 3.44Å; A374-L377 PolarHBondContact O-N 2.91Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 3.39Å; L377-R380 PolarHBondContact O-N 3.05Å; L377-A381 PolarHBondContact O-N 3.34Å
378C92Very high91.6Very high0 Ų051.6 Ų51.60%027%0.266CS..Hα-helixtrans-65.6-41.2177.4-169.70000111.8A362 A374 E375 A381 L382 Q399 L403 L406A362-C378 HydrophobicContact CB-CB 4.21Å; A374-C378 WeakPolarHBondContact O-CB 3.45Å; A374-C378 PolarHBondContact O-N 3.28Å; E375-C378 PolarHBondContact O-N 3.05Å; C378-A381 PolarHBondContact O-N 2.76Å; C378-L382 PolarHBondContact O-N 2.85Å; C378-Q399 PolarHBondContact O-NE2 3.07Å; C378-Q399 VanDerWaalsContact O-NE2 3.15Å; C378-Q399 PolarHBondContact SG-NE2 2.88Å; C378-L403 HydrophobicContact CB-CD1 4.11Å; C378-L406 HydrophobicContact CB-CD1 3.53Å
379R94.2Very high91.6Very high103 Ų10352.3 Ų52.339%0.38927%0.265SS..Hα-helixtrans-65.2-39.9173.8-75.7-165.4178.21224.5112.5E375 P376 L382 S383 L403 E415E375-R379 PolarHBondContact O-N 3.45Å; E375-R379 IonicContact OE1-CZ 3.13Å; E375-R379 IonicContact OE1-NH1 3.32Å; E375-R379 PolarHBondContact OE1-NH1 3.37Å; E375-R379 IonicContact OE1-NH2 2.66Å; E375-R379 PolarHBondContact OE1-NH2 2.74Å; P376-R379 PolarHBondContact O-N 3.41Å; R379-L382 WeakPolarHBondContact O-CB 3.38Å; R379-L382 PolarHBondContact O-N 2.73Å; R379-S383 PolarHBondContact O-N 2.95Å; R379-L403 HydrophobicContact CG-CD1 3.95Å; R379-L403 HydrophobicContact CG-CD2 4.3Å; R379-E415 IonicContact NH2-OE1 2.7Å; R379-E415 IonicContact NH2-OE2 2.73Å; R379-E415 PolarHBondContact NH2-OE2 3.42Å
380R95.1Very high91.8Very high99 Ų9951.7 Ų51.737%0.37426%0.258SS..Hα-helixtrans-60.7-47.7174.3-174.1-179.8177.1-153.7-6.7111E344 L358 P376 L377 L382 S383 I384E344-R380 IonicContact OE1-CZ 2.66Å; E344-R380 IonicContact OE1-NH1 3.31Å; E344-R380 PolarHBondContact OE1-NH1 3.09Å; E344-R380 IonicContact OE1-NH2 3.24Å; E344-R380 PolarHBondContact OE1-NH2 2.66Å; L358-R380 HydrophobicContact CD1-CB 4.35Å; L358-R380 HydrophobicContact CD1-CG 3.85Å; P376-R380 WeakPolarHBondContact O-CB 3.48Å; P376-R380 PolarHBondContact O-N 3Å; L377-R380 PolarHBondContact O-N 3.05Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 2.68Å; R380-S383 PolarHBondContact O-N 2.79Å; R380-I384 HydrophobicContact CG-CD1 4.17Å; R380-I384 WeakPolarHBondContact O-CG1 3.43Å; R380-I384 PolarHBondContact O-N 3.42Å; R380-I384 VanDerWaalsContact O-N 3.09Å
381A92.2Very high91.8Very high0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-61.2-38.7176.300000112.5A355 L358 L377 C378 I384 R385A355-A381 HydrophobicContact CB-CB 4.23Å; L358-A381 HydrophobicContact CB-CB 4.05Å; L377-A381 PolarHBondContact O-N 3.34Å; C378-A381 PolarHBondContact O-N 2.76Å; A381-I384 PolarHBondContact O-N 3.25Å; A381-R385 WeakPolarHBondContact O-CG 3.41Å; A381-R385 PolarHBondContact O-N 3.49Å
382L93.3Very high91.7Very high16 Ų1652.8 Ų52.88%0.08428%0.279CS..Hα-helixtrans-61.2-50.5174.7-177.766.2000111.6C378 R379 R380 I384 R385 E386 V396 Q399 L400 L403C378-L382 PolarHBondContact O-N 2.85Å; R379-L382 WeakPolarHBondContact O-CB 3.38Å; R379-L382 PolarHBondContact O-N 2.73Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 2.68Å; L382-I384 VanDerWaalsContact C-N 3.29Å; L382-I384 PolarHBondContact O-N 3.47Å; L382-R385 PolarHBondContact O-N 3.44Å; L382-R385 VanDerWaalsContact O-N 3.13Å; L382-E386 HydrophobicContact CD1-CG 4.31Å; L382-E386 HydrophobicContact CG-CG 4.39Å; L382-E386 WeakPolarHBondContact O-CG 3.44Å; L382-E386 PolarHBondContact O-N 3.11Å; L382-V396 HydrophobicContact CD1-CG1 3.86Å; L382-Q399 HydrophobicContact CB-CG 3.77Å; L382-Q399 HydrophobicContact CD1-CB 3.88Å; L382-Q399 HydrophobicContact CD1-CG 3.93Å; L382-Q399 HydrophobicContact CG-CG 4.46Å; L382-L400 HydrophobicContact CD1-CD2 3.97Å; L382-L400 HydrophobicContact CD1-CG 3.89Å; L382-L400 HydrophobicContact CD2-CD2 3.76Å; L382-L403 HydrophobicContact CD2-CD2 3.98Å
383S94.4Very high91.6Very high47 Ų4749.8 Ų49.833%0.32926%0.258SS..Hα-helixtrans-60-38.9179.5-173.20000112.3R379 R380 K387R379-S383 PolarHBondContact O-N 2.95Å; R380-S383 PolarHBondContact O-N 2.79Å; S383-K387 WeakPolarHBondContact O-CB 3.26Å; S383-K387 VanDerWaalsContact O-CG 3.28Å; S383-K387 WeakPolarHBondContact O-CG 3.45Å; S383-K387 PolarHBondContact O-N 3.47Å; S383-K387 VanDerWaalsContact O-N 3.1Å
384I92.4Very high91.5Very high6 Ų647.7 Ų47.73%0.03125%0.25CC..Hα-helixtrans-64.3-46.7175.7-65.8164.9000110.6P349 V354 A355 L358 R380 A381 L382 K387 L388P349-I384 WeakPolarHBondContact O-CD1 3.31Å; V354-I384 HydrophobicContact CG1-CD1 4.42Å; A355-I384 HydrophobicContact CB-CB 4.08Å; A355-I384 HydrophobicContact CB-CD1 4.49Å; A355-I384 HydrophobicContact CB-CG2 3.88Å; L358-I384 HydrophobicContact CD1-CD1 3.84Å; R380-I384 HydrophobicContact CG-CD1 4.17Å; R380-I384 WeakPolarHBondContact O-CG1 3.43Å; R380-I384 PolarHBondContact O-N 3.42Å; R380-I384 VanDerWaalsContact O-N 3.09Å; A381-I384 PolarHBondContact O-N 3.25Å; L382-I384 VanDerWaalsContact C-N 3.29Å; L382-I384 PolarHBondContact O-N 3.47Å; I384-K387 PolarHBondContact O-N 3.26Å; I384-L388 HydrophobicContact CG2-CD1 3.63Å; I384-L388 HydrophobicContact CG2-CG 4.38Å; I384-L388 WeakPolarHBondContact O-CB 3.32Å; I384-L388 WeakPolarHBondContact O-CG 3.49Å; I384-L388 PolarHBondContact O-N 3.35Å
385R91.8Very high91Very high23 Ų2349 Ų499%0.08726%0.256CS..Hα-helixtrans-64.8-41.2179.7-73.4-177-176163.413.8112.3A355 A381 L382 K387 L388 L389 D395 V396A355-R385 HydrophobicContact CB-CG 4.07Å; A381-R385 WeakPolarHBondContact O-CG 3.41Å; A381-R385 PolarHBondContact O-N 3.49Å; L382-R385 PolarHBondContact O-N 3.44Å; L382-R385 VanDerWaalsContact O-N 3.13Å; R385-K387 PolarHBondContact O-N 3.44Å; R385-L388 PolarHBondContact O-N 3.42Å; R385-L389 HydrophobicContact CB-CD1 4.19Å; R385-L389 HydrophobicContact CG-CD1 4.21Å; R385-L389 VanDerWaalsContact O-CB 3.28Å; R385-L389 WeakPolarHBondContact O-CB 3.47Å; R385-L389 PolarHBondContact O-N 3.34Å; R385-D395 WeakPolarHBondContact CD-O 3.45Å; R385-D395 PolarHBondContact NH1-O 2.91Å; R385-D395 VanDerWaalsContact NH1-O 3.1Å; R385-V396 HydrophobicContact CB-CG2 3.91Å
386E92.8Very high90.8Very high55 Ų5548.3 Ų48.326%0.25725%0.253SS..Hα-helixtrans-62-41.9176.4-72.6175.2155.800112.1L382 G390 V396 R422L382-E386 HydrophobicContact CD1-CG 4.31Å; L382-E386 HydrophobicContact CG-CG 4.39Å; L382-E386 WeakPolarHBondContact O-CG 3.44Å; L382-E386 PolarHBondContact O-N 3.11Å; E386-G390 CarbonylContact O-C 3.5Å; E386-G390 WeakPolarHBondContact O-CA 3.45Å; E386-G390 PolarHBondContact O-N 3.34Å; E386-G390 VanDerWaalsContact O-N 3.11Å; E386-V396 HydrophobicContact CG-CG1 3.9Å; E386-V396 HydrophobicContact CG-CG2 4.11Å; E386-R422 IonicContact OE1-CZ 2.74Å; E386-R422 IonicContact OE1-NH1 3.86Å; E386-R422 PolarHBondContact OE1-NH1 2.76Å; E386-R422 IonicContact OE1-NH2 3.09Å; E386-R422 PolarHBondContact OE1-NH2 2.74Å
387K92.1Very high90.6Very high140 Ų14044.7 Ų44.761%0.60923%0.23SC*.Hα-helixtrans-68.6-37.5178.9-74.2176.2-178178.40113.2S383 I384 R385S383-K387 WeakPolarHBondContact O-CB 3.26Å; S383-K387 VanDerWaalsContact O-CG 3.28Å; S383-K387 WeakPolarHBondContact O-CG 3.45Å; S383-K387 PolarHBondContact O-N 3.47Å; S383-K387 VanDerWaalsContact O-N 3.1Å; I384-K387 PolarHBondContact O-N 3.26Å; R385-K387 PolarHBondContact O-N 3.44Å
388L89.2Confident90.2Very high76 Ų7646.3 Ų46.340%0.39824%0.235SC..Hα-helixtrans-89.2-42-174.2-68.6175000113.9N350 V352 I384 R385N350-L388 HydrophobicContact CB-CD2 4.28Å; N350-L388 WeakPolarHBondContact O-CD1 3.46Å; N350-L388 WeakPolarHBondContact O-CD2 3.32Å; V352-L388 HydrophobicContact CG2-CB 4.5Å; V352-L388 HydrophobicContact CG2-CD1 3.76Å; I384-L388 HydrophobicContact CG2-CD1 3.63Å; I384-L388 HydrophobicContact CG2-CG 4.38Å; I384-L388 WeakPolarHBondContact O-CB 3.32Å; I384-L388 WeakPolarHBondContact O-CG 3.49Å; I384-L388 PolarHBondContact O-N 3.35Å; R385-L388 PolarHBondContact O-N 3.42Å
389L86.6Confident90.1Very high48 Ų4846.3 Ų46.325%0.25124%0.235SC..Hα-helixtrans-100.8-14.2-172.3-53.6169.9000111.8V352 R385 H393 D395V352-L389 HydrophobicContact CG2-CD2 4.26Å; R385-L389 HydrophobicContact CB-CD1 4.19Å; R385-L389 HydrophobicContact CG-CD1 4.21Å; R385-L389 VanDerWaalsContact O-CB 3.28Å; R385-L389 WeakPolarHBondContact O-CB 3.47Å; R385-L389 PolarHBondContact O-N 3.34Å; L389-H393 HydrophobicContact CB-CB 3.61Å; L389-D395 HydrophobicContact CD1-CB 3.82Å
390G88.5Confident90Very high32 Ų3241.7 Ų41.733%0.3322%0.218SC..  trans91.1150.7-170.400000112.2E386 D392 H393 V396E386-G390 CarbonylContact O-C 3.5Å; E386-G390 WeakPolarHBondContact O-CA 3.45Å; E386-G390 PolarHBondContact O-N 3.34Å; E386-G390 VanDerWaalsContact O-N 3.11Å; G390-D392 PolarHBondContact O-N 3.05Å; G390-H393 PolarHBondContact O-N 2.9Å; G390-V396 WeakPolarHBondContact O-CG2 3.39Å
391A89.6Confident89.7Confident54 Ų5438 Ų3845%0.44621%0.206SC..THydrogen-bonded Turntrans-62.4-10.8-18000000114.6R422A391-R422 PolarHBondContact O-NH2 3Å
392D88.8Confident89.5Confident89 Ų8939.3 Ų39.348%0.47621%0.213SC..THydrogen-bonded Turntrans-102.97.6-177.3-77.8-52.6000115G390 I426 K429 H430G390-D392 PolarHBondContact O-N 3.05Å; D392-I426 WeakPolarHBondContact O-CG2 3.36Å; D392-K429 IonicContact OD1-NZ 2.68Å; D392-K429 PolarHBondContact OD1-NZ 3.22Å; D392-H430 PolarHBondContact O-NE2 2.93Å
393H87Confident89.4Confident42 Ų4239.3 Ų39.319%0.19421%0.213CC..  trans-84.3150.5-174.3-166.8-95.5000114.7L389 G390 D395 V396 A397L389-H393 HydrophobicContact CB-CB 3.61Å; G390-H393 PolarHBondContact O-N 2.9Å; H393-D395 VanDerWaalsContact C-N 3.29Å; H393-D395 IonicContact CE1-OD2 2.75Å; H393-D395 PolarHBondContact CE1-OD2 2.85Å; H393-D395 PolarHBondContact ND1-N 3.03Å; H393-D395 VanDerWaalsContact ND1-N 3.1Å; H393-D395 IonicContact ND1-OD2 2.78Å; H393-D395 PolarHBondContact O-N 3.37Å; H393-V396 HydrophobicContact CB-CG2 4.25Å; H393-V396 VanDerWaalsContact O-CB 3.32Å; H393-V396 WeakPolarHBondContact O-CB 3.41Å; H393-V396 PolarHBondContact O-N 3.3Å; H393-A397 PolarHBondContact O-N 2.96Å
394L89Confident89.2Confident47 Ų4737 Ų3725%0.24620%0.197CC..Hα-helixtrans-57.7-36.2178.6-73.4178000113.7V396 A397 K398 Y427 H430L394-V396 VanDerWaalsContact C-N 3.3Å; L394-V396 PolarHBondContact O-N 3.44Å; L394-A397 WeakPolarHBondContact O-CB 3.4Å; L394-A397 PolarHBondContact O-N 3.36Å; L394-K398 WeakPolarHBondContact O-CG 3.49Å; L394-K398 PolarHBondContact O-N 3.44Å; L394-Y427 HydrophobicContact CD2-CD1 3.87Å; L394-Y427 HydrophobicContact CD2-CE1 4.17Å; L394-H430 HydrophobicContact CD1-CB 4.4Å; L394-H430 HydrophobicContact CD2-CB 3.59Å; L394-H430 HydrophobicContact CG-CB 4.11Å
395D80.5Confident88.9Confident26 Ų2637.6 Ų37.614%0.13920%0.2CC..Hα-helixtrans-72.1-23.4177.3-67.1-28000113.4R385 L389 H393 Q399R385-D395 WeakPolarHBondContact CD-O 3.45Å; R385-D395 PolarHBondContact NH1-O 2.91Å; R385-D395 VanDerWaalsContact NH1-O 3.1Å; L389-D395 HydrophobicContact CD1-CB 3.82Å; H393-D395 VanDerWaalsContact C-N 3.29Å; H393-D395 IonicContact CE1-OD2 2.75Å; H393-D395 PolarHBondContact CE1-OD2 2.85Å; H393-D395 PolarHBondContact ND1-N 3.03Å; H393-D395 VanDerWaalsContact ND1-N 3.1Å; H393-D395 IonicContact ND1-OD2 2.78Å; H393-D395 PolarHBondContact O-N 3.37Å; D395-Q399 WeakPolarHBondContact O-CB 3.24Å; D395-Q399 PolarHBondContact O-N 3.44Å
396V89.1Confident88.8Confident0 Ų036.8 Ų36.80%020%0.198CC..Hα-helixtrans-70.1-43.4169.1174.90000108.9L382 R385 E386 G390 H393 L394 K398 Q399 L400 I426L382-V396 HydrophobicContact CD1-CG1 3.86Å; R385-V396 HydrophobicContact CB-CG2 3.91Å; E386-V396 HydrophobicContact CG-CG1 3.9Å; E386-V396 HydrophobicContact CG-CG2 4.11Å; G390-V396 WeakPolarHBondContact O-CG2 3.39Å; H393-V396 HydrophobicContact CB-CG2 4.25Å; H393-V396 VanDerWaalsContact O-CB 3.32Å; H393-V396 WeakPolarHBondContact O-CB 3.41Å; H393-V396 PolarHBondContact O-N 3.3Å; L394-V396 VanDerWaalsContact C-N 3.3Å; L394-V396 PolarHBondContact O-N 3.44Å; V396-K398 PolarHBondContact O-N 2.96Å; V396-Q399 PolarHBondContact O-N 3.35Å; V396-Q399 VanDerWaalsContact O-N 3.15Å; V396-L400 HydrophobicContact CG1-CD1 4.02Å; V396-L400 HydrophobicContact CG1-CG 4.38Å; V396-L400 WeakPolarHBondContact O-CB 3.43Å; V396-L400 VanDerWaalsContact O-CG 3.3Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.45Å; V396-I426 HydrophobicContact CG1-CD1 4.25Å
397A89.8Confident88.6Confident0 Ų034.3 Ų34.30%019%0.186CC..Hα-helixtrans-59.9-43.3174.400000112.5H393 L394 Q399 L400 N401 A423 I426 Y427H393-A397 PolarHBondContact O-N 2.96Å; L394-A397 WeakPolarHBondContact O-CB 3.4Å; L394-A397 PolarHBondContact O-N 3.36Å; A397-Q399 VanDerWaalsContact C-N 3.35Å; A397-Q399 PolarHBondContact O-N 2.99Å; A397-L400 PolarHBondContact O-N 3.06Å; A397-N401 PolarHBondContact O-N 2.86Å; A397-A423 HydrophobicContact CB-CB 4.36Å; A397-I426 HydrophobicContact CB-CB 3.87Å; A397-I426 HydrophobicContact CB-CD1 4.13Å; A397-I426 HydrophobicContact CB-CG2 3.77Å; A397-Y427 HydrophobicContact CB-CD1 4.15Å; A397-Y427 HydrophobicContact CB-CD2 4.33Å; A397-Y427 HydrophobicContact CB-CE1 3.66Å; A397-Y427 HydrophobicContact CB-CE2 3.84Å; A397-Y427 HydrophobicContact CB-CG 4.46Å; A397-Y427 VanDerWaalsContact CB-CZ 3.48Å
398K86.8Confident88.4Confident70 Ų7028.3 Ų28.330%0.30416%0.16SC..Hα-helixtrans-61.1-42.4173.7-69.8178.3-179.3-179.60111.9L394 V396 N401 N402 Y427L394-K398 WeakPolarHBondContact O-CG 3.49Å; L394-K398 PolarHBondContact O-N 3.44Å; V396-K398 PolarHBondContact O-N 2.96Å; K398-N401 WeakPolarHBondContact O-CB 3.34Å; K398-N401 PolarHBondContact O-N 3.25Å; K398-N402 PolarHBondContact O-N 3.36Å; K398-N402 VanDerWaalsContact O-N 3.14Å; K398-Y427 WeakPolarHBondContact CA-OH 3.33Å; K398-Y427 PolarHBondContact N-OH 2.89Å
399Q88.6Confident88.2Confident0 Ų026 Ų260%015%0.151CC..Hα-helixtrans-66.4-40.2177.9-164.659.324.400112.5N359 C378 L382 D395 V396 A397 N401 N402 L403N359-Q399 PolarHBondContact OD1-NE2 3.43Å; N359-Q399 PolarHBondContact OD1-OE1 3.32Å; C378-Q399 PolarHBondContact O-NE2 3.07Å; C378-Q399 VanDerWaalsContact O-NE2 3.15Å; C378-Q399 PolarHBondContact SG-NE2 2.88Å; L382-Q399 HydrophobicContact CB-CG 3.77Å; L382-Q399 HydrophobicContact CD1-CB 3.88Å; L382-Q399 HydrophobicContact CD1-CG 3.93Å; L382-Q399 HydrophobicContact CG-CG 4.46Å; D395-Q399 WeakPolarHBondContact O-CB 3.24Å; D395-Q399 PolarHBondContact O-N 3.44Å; V396-Q399 PolarHBondContact O-N 3.35Å; V396-Q399 VanDerWaalsContact O-N 3.15Å; A397-Q399 VanDerWaalsContact C-N 3.35Å; A397-Q399 PolarHBondContact O-N 2.99Å; Q399-N401 VanDerWaalsContact C-N 3.33Å; Q399-N402 PolarHBondContact O-N 3.09Å; Q399-L403 PolarHBondContact O-N 3.49Å
400L92.5Very high88.2Confident5 Ų526.4 Ų26.43%0.02615%0.151CC..Hα-helixtrans-61.8-40.8175.6-74.3167.1000111.5L382 V396 A397 L403 A404 R422 A423 I426L382-L400 HydrophobicContact CD1-CD2 3.97Å; L382-L400 HydrophobicContact CD1-CG 3.89Å; L382-L400 HydrophobicContact CD2-CD2 3.76Å; V396-L400 HydrophobicContact CG1-CD1 4.02Å; V396-L400 HydrophobicContact CG1-CG 4.38Å; V396-L400 WeakPolarHBondContact O-CB 3.43Å; V396-L400 VanDerWaalsContact O-CG 3.3Å; V396-L400 WeakPolarHBondContact O-CG 3.49Å; V396-L400 PolarHBondContact O-N 3.45Å; A397-L400 PolarHBondContact O-N 3.06Å; L400-L403 PolarHBondContact O-N 3.34Å; L400-A404 WeakPolarHBondContact O-CB 3.37Å; L400-A404 PolarHBondContact O-N 3.24Å; L400-R422 HydrophobicContact CD1-CB 4.13Å; L400-R422 HydrophobicContact CD1-CG 3.71Å; L400-A423 HydrophobicContact CB-CB 4.03Å; L400-I426 HydrophobicContact CD1-CD1 4.03Å
401N89.7Confident88.1Confident22 Ų2226.6 Ų26.612%0.11815%0.153CC..Hα-helixtrans-59.4-46.3172.9-81.2-15.8000111.9A397 K398 Q399 L403 A404 L405 F420 A423 Y427A397-N401 PolarHBondContact O-N 2.86Å; K398-N401 WeakPolarHBondContact O-CB 3.34Å; K398-N401 PolarHBondContact O-N 3.25Å; Q399-N401 VanDerWaalsContact C-N 3.33Å; N401-L403 PolarHBondContact O-N 2.91Å; N401-A404 PolarHBondContact O-N 3.14Å; N401-L405 WeakPolarHBondContact O-CG 3.46Å; N401-L405 PolarHBondContact O-N 2.99Å; N401-F420 HydrophobicContact CB-CE1 4.49Å; N401-F420 WeakPolarHBondContact OD1-CD1 3.42Å; N401-A423 VanDerWaalsContact OD1-CB 3.32Å; N401-A423 WeakPolarHBondContact OD1-CB 3.4Å; N401-Y427 WeakPolarHBondContact ND2-CE2 3.48Å; N401-Y427 PolarHBondContact ND2-OH 3.43Å; N401-Y427 VanDerWaalsContact ND2-OH 3.14Å
402N86.7Confident88.1Confident28 Ų2827.4 Ų27.415%0.1515%0.147CC..Hα-helixtrans-63.1-42.3177.5-69.7-10000111.6N359 K398 Q399 L405 L406N359-N402 PolarHBondContact ND2-ND2 3.44Å; N359-N402 PolarHBondContact OD1-ND2 3.28Å; K398-N402 PolarHBondContact O-N 3.36Å; K398-N402 VanDerWaalsContact O-N 3.14Å; Q399-N402 PolarHBondContact O-N 3.09Å; N402-L405 PolarHBondContact O-N 3.35Å; N402-L406 WeakPolarHBondContact O-CG 3.45Å; N402-L406 PolarHBondContact O-N 2.96Å; N402-L406 VanDerWaalsContact O-N 3.1Å
403L91.3Very high88.1Confident15 Ų1526.5 Ų26.58%0.07914%0.139CC..Hα-helixtrans-61.9-43.5175.7-176.164000111.5C378 R379 L382 Q399 L400 N401 L405 L406 C407C378-L403 HydrophobicContact CB-CD1 4.11Å; R379-L403 HydrophobicContact CG-CD1 3.95Å; R379-L403 HydrophobicContact CG-CD2 4.3Å; L382-L403 HydrophobicContact CD2-CD2 3.98Å; Q399-L403 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.34Å; N401-L403 PolarHBondContact O-N 2.91Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 3.33Å; L403-L406 WeakPolarHBondContact O-CB 3.45Å; L403-L406 PolarHBondContact O-N 3.49Å; L403-C407 PolarHBondContact O-N 3.18Å; L403-C407 PolarHBondContact O-SG 3.4Å
404A90.9Very high88.1Confident0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-61-42.2177.600000111.6L400 N401 L406 C407 Q408 V416 A419 F420L400-A404 WeakPolarHBondContact O-CB 3.37Å; L400-A404 PolarHBondContact O-N 3.24Å; N401-A404 PolarHBondContact O-N 3.14Å; A404-L406 PolarHBondContact O-N 2.98Å; A404-C407 PolarHBondContact O-N 3.01Å; A404-Q408 VanDerWaalsContact O-CB 3.26Å; A404-Q408 WeakPolarHBondContact O-CB 3.24Å; A404-Q408 PolarHBondContact O-N 2.69Å; A404-V416 HydrophobicContact CB-CG1 4.32Å; A404-V416 WeakPolarHBondContact O-CG2 3.49Å; A404-A419 HydrophobicContact CB-CB 3.85Å; A404-F420 HydrophobicContact CB-CD1 3.7Å; A404-F420 HydrophobicContact CB-CD2 3.93Å; A404-F420 HydrophobicContact CB-CE1 3.47Å; A404-F420 VanDerWaalsContact CB-CE1 3.47Å; A404-F420 HydrophobicContact CB-CE2 3.74Å; A404-F420 HydrophobicContact CB-CG 3.9Å; A404-F420 HydrophobicContact CB-CZ 3.49Å; A404-F420 VanDerWaalsContact CB-CZ 3.49Å
405L86.6Confident88.2Confident17 Ų1731.2 Ų31.29%0.08916%0.162CC..Hα-helixtrans-64.7-37.9176.4-69.3169.6000112.4L234 N401 N402 L403 Q408 S409 F420L234-L405 HydrophobicContact CB-CD1 4.42Å; L234-L405 HydrophobicContact CD1-CB 3.9Å; L234-L405 HydrophobicContact CD1-CD1 3.39Å; L234-L405 HydrophobicContact CD1-CG 4.28Å; N401-L405 WeakPolarHBondContact O-CG 3.46Å; N401-L405 PolarHBondContact O-N 2.99Å; N402-L405 PolarHBondContact O-N 3.35Å; L403-L405 VanDerWaalsContact C-N 3.34Å; L403-L405 PolarHBondContact O-N 3.33Å; L405-Q408 PolarHBondContact O-N 3.01Å; L405-S409 PolarHBondContact O-N 3.02Å; L405-S409 PolarHBondContact O-OG 3.15Å; L405-F420 HydrophobicContact CD2-CZ 4.06Å; L405-F420 HydrophobicContact CG-CZ 4.18Å
406L88Confident88.7Confident7 Ų730 Ų304%0.03716%0.156CC..Hα-helixtrans-63.7-49.8172.8-67.9174.2000111.8A366 F371 A374 C378 N402 L403 A404 Q408 S409 Q410A366-L406 HydrophobicContact CB-CD2 3.41Å; A366-L406 VanDerWaalsContact CB-CD2 3.41Å; F371-L406 HydrophobicContact CD1-CD2 4.49Å; A374-L406 HydrophobicContact CB-CD1 4.12Å; A374-L406 HydrophobicContact CB-CD2 3.8Å; C378-L406 HydrophobicContact CB-CD1 3.53Å; N402-L406 WeakPolarHBondContact O-CG 3.45Å; N402-L406 PolarHBondContact O-N 2.96Å; N402-L406 VanDerWaalsContact O-N 3.1Å; L403-L406 WeakPolarHBondContact O-CB 3.45Å; L403-L406 PolarHBondContact O-N 3.49Å; A404-L406 PolarHBondContact O-N 2.98Å; L406-Q408 VanDerWaalsContact C-N 3.27Å; L406-Q408 PolarHBondContact O-N 3.16Å; L406-S409 WeakPolarHBondContact O-CB 3.34Å; L406-S409 PolarHBondContact O-N 3.02Å; L406-S409 VanDerWaalsContact O-N 3.16Å; L406-Q410 PolarHBondContact O-N 3.31Å
407C89.6Confident88.8Confident2 Ų230.8 Ų30.81%0.01416%0.16CC..Hα-helixtrans-63.9-33.2179.2-70.20000112L403 A404 S409 Q410 G411 K412 V416L403-C407 PolarHBondContact O-N 3.18Å; L403-C407 PolarHBondContact O-SG 3.4Å; A404-C407 PolarHBondContact O-N 3.01Å; C407-S409 VanDerWaalsContact C-N 3.28Å; C407-S409 PolarHBondContact O-N 3.13Å; C407-Q410 PolarHBondContact O-N 3.34Å; C407-Q410 VanDerWaalsContact O-N 3.15Å; C407-G411 PolarHBondContact O-N 3.46Å; C407-K412 HydrophobicContact CB-CB 4.25Å; C407-K412 PolarHBondContact O-N 2.92Å; C407-K412 VanDerWaalsContact O-N 3.1Å; C407-V416 HydrophobicContact CB-CG2 3.62Å
408Q87.2Confident88.9Confident15 Ų1534.4 Ų34.47%0.0719%0.185CC..Hα-helixtrans-65.3-34.1176.9-163.9-172.251.900111.8A404 L405 L406 Q410 G411 V416 K451A404-Q408 VanDerWaalsContact O-CB 3.26Å; A404-Q408 WeakPolarHBondContact O-CB 3.24Å; A404-Q408 PolarHBondContact O-N 2.69Å; L405-Q408 PolarHBondContact O-N 3.01Å; L406-Q408 VanDerWaalsContact C-N 3.27Å; L406-Q408 PolarHBondContact O-N 3.16Å; Q408-Q410 VanDerWaalsContact C-N 3.26Å; Q408-Q410 PolarHBondContact O-N 2.97Å; Q408-G411 PolarHBondContact O-N 3.34Å; Q408-V416 HydrophobicContact CB-CG1 4.11Å; Q408-V416 HydrophobicContact CB-CG2 3.82Å; Q408-V416 HydrophobicContact CG-CG1 4.32Å; Q408-K451 VanDerWaalsContact CD-NZ 3.3Å; Q408-K451 HydrophobicContact CG-CD 3.94Å
409S85.1Confident89.2Confident28 Ų2831.6 Ų31.620%0.19618%0.175CC..Hα-helixtrans-71.7-22.7176.5-54.50000112.6M230 L405 L406 C407M230-S409 WeakPolarHBondContact CE-OG 3.33Å; L405-S409 PolarHBondContact O-N 3.02Å; L405-S409 PolarHBondContact O-OG 3.15Å; L406-S409 WeakPolarHBondContact O-CB 3.34Å; L406-S409 PolarHBondContact O-N 3.02Å; L406-S409 VanDerWaalsContact O-N 3.16Å; C407-S409 VanDerWaalsContact C-N 3.28Å; C407-S409 PolarHBondContact O-N 3.13Å
410Q87.3Confident89.4Confident56 Ų5631.7 Ų31.726%0.26218%0.175SC..THydrogen-bonded Turntrans-92.4-4.3175.1-61.4-178.636.500113.7F371 E375 L406 C407 Q408 K412F371-Q410 HydrophobicContact CB-CG 3.75Å; F371-Q410 PolarHBondContact O-NE2 3.36Å; E375-Q410 VanDerWaalsContact OE2-CD 3.25Å; E375-Q410 PolarHBondContact OE2-NE2 3.26Å; E375-Q410 PolarHBondContact OE2-OE1 3.02Å; L406-Q410 PolarHBondContact O-N 3.31Å; C407-Q410 PolarHBondContact O-N 3.34Å; C407-Q410 VanDerWaalsContact O-N 3.15Å; Q408-Q410 VanDerWaalsContact C-N 3.26Å; Q408-Q410 PolarHBondContact O-N 2.97Å; Q410-K412 HydrophobicContact CB-CG 4.44Å
411G86.4Confident89.5Confident36 Ų3636.1 Ų36.137%0.37119%0.191SC..THydrogen-bonded Turntrans80.710.6-178.300000115.7C407 Q408 F413C407-G411 PolarHBondContact O-N 3.46Å; Q408-G411 PolarHBondContact O-N 3.34Å; G411-F413 VanDerWaalsContact C-N 3.28Å; G411-F413 WeakPolarHBondContact O-CD2 3.38Å; G411-F413 PolarHBondContact O-N 3.01Å
412K89.5Confident89.7Confident71 Ų7138.9 Ų38.931%0.30920%0.2SC..  trans-80.765.6179.1-65.7172.8178163.50111.7E375 C407 Q410 D414 E415 V416E375-K412 IonicContact OE1-NZ 3.77Å; E375-K412 PolarHBondContact OE1-NZ 3.02Å; E375-K412 IonicContact OE2-NZ 2.9Å; E375-K412 PolarHBondContact OE2-NZ 3.38Å; C407-K412 HydrophobicContact CB-CB 4.25Å; C407-K412 PolarHBondContact O-N 2.92Å; C407-K412 VanDerWaalsContact O-N 3.1Å; Q410-K412 HydrophobicContact CB-CG 4.44Å; K412-D414 VanDerWaalsContact C-N 3.33Å; K412-D414 PolarHBondContact O-N 3.14Å; K412-E415 PolarHBondContact O-N 3.01Å; K412-V416 WeakPolarHBondContact O-CG2 3.3Å; K412-V416 PolarHBondContact O-N 3.43Å
413F87.8Confident90Very high70 Ų7037.5 Ų37.531%0.30719%0.193SC..Hα-helixtrans-64.5-28.8-167.3-56.6-58.5000115.5G411 V416 E417 K451 R452G411-F413 VanDerWaalsContact C-N 3.28Å; G411-F413 WeakPolarHBondContact O-CD2 3.38Å; G411-F413 PolarHBondContact O-N 3.01Å; F413-V416 PolarHBondContact O-N 3.38Å; F413-E417 PolarHBondContact O-N 2.93Å; F413-E417 VanDerWaalsContact O-N 3.11Å; F413-K451 HydrophobicContact CD1-CB 3.72Å; F413-K451 HydrophobicContact CD1-CD 4.08Å; F413-K451 HydrophobicContact CE1-CB 3.69Å; F413-K451 HydrophobicContact CE1-CD 3.47Å; F413-K451 VanDerWaalsContact CE1-CD 3.47Å; F413-K451 HydrophobicContact CE1-CG 4.16Å; F413-K451 HydrophobicContact CG-CB 4.33Å; F413-K451 HydrophobicContact CZ-CB 4.23Å; F413-K451 HydrophobicContact CZ-CD 4.26Å; F413-R452 HydrophobicContact CB-CG 3.6Å
414D88.3Confident90Very high102 Ų10237.4 Ų37.455%0.54519%0.192SC..Hα-helixtrans-67.9-44178.8-61.1-35.3000111.7K412 V416 E417 S418 R452K412-D414 VanDerWaalsContact C-N 3.33Å; K412-D414 PolarHBondContact O-N 3.14Å; D414-V416 VanDerWaalsContact C-N 3.31Å; D414-V416 PolarHBondContact O-N 3.46Å; D414-E417 PolarHBondContact O-N 3.15Å; D414-S418 PolarHBondContact O-N 3.27Å; D414-S418 VanDerWaalsContact O-N 3.16Å; D414-R452 IonicContact OD1-CZ 3.06Å; D414-R452 IonicContact OD1-NE 3.77Å; D414-R452 PolarHBondContact OD1-NE 2.96Å; D414-R452 VanDerWaalsContact OD1-NE 3.09Å; D414-R452 IonicContact OD1-NH1 2.71Å; D414-R452 IonicContact OD1-NH2 3.04Å; D414-R452 PolarHBondContact OD1-NH2 2.91Å
415E89.8Confident90.1Very high85 Ų8541.2 Ų41.240%0.39721%0.213SC..Hα-helixtrans-64.1-38.2174.7-71.9-174-136.500111.6R379 K412 S418 A419R379-E415 IonicContact NH2-OE1 2.7Å; R379-E415 IonicContact NH2-OE2 2.73Å; R379-E415 PolarHBondContact NH2-OE2 3.42Å; K412-E415 PolarHBondContact O-N 3.01Å; E415-S418 PolarHBondContact O-N 3.5Å; E415-A419 WeakPolarHBondContact O-CB 3.4Å; E415-A419 PolarHBondContact O-N 3.3Å
416V91Very high90.4Very high0 Ų040.7 Ų40.70%021%0.21CC..Hα-helixtrans-61.5-47.4179.3175.70000111A404 C407 Q408 K412 F413 D414 A419 F420 A448A404-V416 HydrophobicContact CB-CG1 4.32Å; A404-V416 WeakPolarHBondContact O-CG2 3.49Å; C407-V416 HydrophobicContact CB-CG2 3.62Å; Q408-V416 HydrophobicContact CB-CG1 4.11Å; Q408-V416 HydrophobicContact CB-CG2 3.82Å; Q408-V416 HydrophobicContact CG-CG1 4.32Å; K412-V416 WeakPolarHBondContact O-CG2 3.3Å; K412-V416 PolarHBondContact O-N 3.43Å; F413-V416 PolarHBondContact O-N 3.38Å; D414-V416 VanDerWaalsContact C-N 3.31Å; D414-V416 PolarHBondContact O-N 3.46Å; V416-A419 PolarHBondContact O-N 2.88Å; V416-F420 HydrophobicContact CG1-CD2 3.58Å; V416-F420 HydrophobicContact CG1-CE2 3.42Å; V416-F420 VanDerWaalsContact CG1-CE2 3.42Å; V416-F420 WeakPolarHBondContact O-CD2 3.27Å; V416-F420 PolarHBondContact O-N 3.49Å; V416-A448 HydrophobicContact CG1-CB 3.69Å
417E91.3Very high90.5Very high17 Ų1740.9 Ų40.98%0.07921%0.21CC..Hα-helixtrans-64.5-43.5178.7-169.5-168118.700111.5F413 D414 A419 F420 R421 L445 L449 R452F413-E417 PolarHBondContact O-N 2.93Å; F413-E417 VanDerWaalsContact O-N 3.11Å; D414-E417 PolarHBondContact O-N 3.15Å; E417-A419 PolarHBondContact O-N 3.17Å; E417-F420 PolarHBondContact O-N 2.92Å; E417-R421 VanDerWaalsContact O-CB 3.27Å; E417-R421 WeakPolarHBondContact O-CB 3.34Å; E417-R421 PolarHBondContact O-N 3.04Å; E417-R421 IonicContact OE1-CZ 3.66Å; E417-R421 IonicContact OE1-NH1 2.93Å; E417-R421 PolarHBondContact OE1-NH1 3.14Å; E417-R421 IonicContact OE1-NH2 2.82Å; E417-R421 PolarHBondContact OE1-NH2 3.37Å; E417-L445 HydrophobicContact CG-CD1 3.89Å; E417-L449 HydrophobicContact CG-CD2 4.08Å; E417-L449 VanDerWaalsContact OE2-CD2 3.29Å; E417-L449 WeakPolarHBondContact OE2-CD2 3.17Å; E417-R452 IonicContact OE1-NH1 3.23Å; E417-R452 PolarHBondContact OE1-NH1 3.43Å; E417-R452 WeakPolarHBondContact OE2-CD 3.46Å; E417-R452 IonicContact OE2-CZ 2.88Å; E417-R452 IonicContact OE2-NE 3.59Å; E417-R452 IonicContact OE2-NH1 3.13Å; E417-R452 PolarHBondContact OE2-NH1 2.97Å
418S93.3Very high90.5Very high77 Ų7744.9 Ų44.954%0.53823%0.231SC..Hα-helixtrans-59.4-46.3176.8-174.90000111.7D414 E415 R421 R422D414-S418 PolarHBondContact O-N 3.27Å; D414-S418 VanDerWaalsContact O-N 3.16Å; E415-S418 PolarHBondContact O-N 3.5Å; S418-R421 PolarHBondContact O-N 3.45Å; S418-R422 WeakPolarHBondContact O-CB 3.48Å; S418-R422 PolarHBondContact O-N 2.72Å
419A93.2Very high90.7Very high10 Ų1050.9 Ų50.98%0.08326%0.257CS..Hα-helixtrans-65.8-44.3179.400000112.7A404 E415 V416 E417 R422 A423A404-A419 HydrophobicContact CB-CB 3.85Å; E415-A419 WeakPolarHBondContact O-CB 3.4Å; E415-A419 PolarHBondContact O-N 3.3Å; V416-A419 PolarHBondContact O-N 2.88Å; E417-A419 PolarHBondContact O-N 3.17Å; A419-R422 PolarHBondContact O-N 2.99Å; A419-A423 WeakPolarHBondContact O-CB 3.5Å; A419-A423 PolarHBondContact O-N 2.96Å
420F93Very high90.7Very high2 Ų254.2 Ų54.21%0.00927%0.269CS..Hα-helixtrans-67.6-38.2176.6-78-44.7000112.9N401 A404 L405 V416 E417 A423 L424 N444 L445 A448N401-F420 HydrophobicContact CB-CE1 4.49Å; N401-F420 WeakPolarHBondContact OD1-CD1 3.42Å; A404-F420 HydrophobicContact CB-CD1 3.7Å; A404-F420 HydrophobicContact CB-CD2 3.93Å; A404-F420 HydrophobicContact CB-CE1 3.47Å; A404-F420 VanDerWaalsContact CB-CE1 3.47Å; A404-F420 HydrophobicContact CB-CE2 3.74Å; A404-F420 HydrophobicContact CB-CG 3.9Å; A404-F420 HydrophobicContact CB-CZ 3.49Å; A404-F420 VanDerWaalsContact CB-CZ 3.49Å; L405-F420 HydrophobicContact CD2-CZ 4.06Å; L405-F420 HydrophobicContact CG-CZ 4.18Å; V416-F420 HydrophobicContact CG1-CD2 3.58Å; V416-F420 HydrophobicContact CG1-CE2 3.42Å; V416-F420 VanDerWaalsContact CG1-CE2 3.42Å; V416-F420 WeakPolarHBondContact O-CD2 3.27Å; V416-F420 PolarHBondContact O-N 3.49Å; E417-F420 PolarHBondContact O-N 2.92Å; F420-A423 PolarHBondContact O-N 2.83Å; F420-L424 WeakPolarHBondContact O-CB 3.38Å; F420-L424 PolarHBondContact O-N 3.49Å; F420-N444 HydrophobicContact CD1-CB 4.05Å; F420-N444 HydrophobicContact CE1-CB 3.77Å; F420-N444 HydrophobicContact CE2-CB 4.36Å; F420-N444 HydrophobicContact CG-CB 4.49Å; F420-N444 HydrophobicContact CZ-CB 3.94Å; F420-L445 HydrophobicContact CB-CB 4.19Å; F420-L445 HydrophobicContact CB-CD1 3.84Å; F420-A448 HydrophobicContact CD2-CB 3.8Å; F420-A448 HydrophobicContact CE2-CB 4.15Å
421R93.4Very high90.5Very high98 Ų9854 Ų5437%0.3727%0.268SS..Hα-helixtrans-61.8-48175.2-175.2178.5-74.9106.2-5.2110.3E417 S418 A423 L424 D425E417-R421 VanDerWaalsContact O-CB 3.27Å; E417-R421 WeakPolarHBondContact O-CB 3.34Å; E417-R421 PolarHBondContact O-N 3.04Å; E417-R421 IonicContact OE1-CZ 3.66Å; E417-R421 IonicContact OE1-NH1 2.93Å; E417-R421 PolarHBondContact OE1-NH1 3.14Å; E417-R421 IonicContact OE1-NH2 2.82Å; E417-R421 PolarHBondContact OE1-NH2 3.37Å; S418-R421 PolarHBondContact O-N 3.45Å; R421-A423 VanDerWaalsContact C-N 3.35Å; R421-A423 PolarHBondContact O-N 3.14Å; R421-L424 WeakPolarHBondContact O-CB 3.35Å; R421-L424 PolarHBondContact O-N 3.04Å; R421-D425 VanDerWaalsContact O-CG 3.24Å; R421-D425 PolarHBondContact O-N 3.48Å
422R94.5Very high90.3Very high80 Ų8059.7 Ų59.730%0.30228%0.282SS..Hα-helixtrans-61.2-41.1176.6-173.1-179.1164.9-154.9-10.5112.6E386 A391 L400 S418 A419 D425 I426E386-R422 IonicContact OE1-CZ 2.74Å; E386-R422 IonicContact OE1-NH1 3.86Å; E386-R422 PolarHBondContact OE1-NH1 2.76Å; E386-R422 IonicContact OE1-NH2 3.09Å; E386-R422 PolarHBondContact OE1-NH2 2.74Å; A391-R422 PolarHBondContact O-NH2 3Å; L400-R422 HydrophobicContact CD1-CB 4.13Å; L400-R422 HydrophobicContact CD1-CG 3.71Å; S418-R422 WeakPolarHBondContact O-CB 3.48Å; S418-R422 PolarHBondContact O-N 2.72Å; A419-R422 PolarHBondContact O-N 2.99Å; R422-D425 PolarHBondContact O-N 3.35Å; R422-I426 WeakPolarHBondContact O-CG1 3.46Å; R422-I426 PolarHBondContact O-N 3.14Å
423A92Very high89.7Confident0 Ų061.3 Ų61.30%030%0.3CS..Hα-helixtrans-63.2-43.6175.400000111.7A397 L400 N401 A419 F420 R421 I426 Y427A397-A423 HydrophobicContact CB-CB 4.36Å; L400-A423 HydrophobicContact CB-CB 4.03Å; N401-A423 VanDerWaalsContact OD1-CB 3.32Å; N401-A423 WeakPolarHBondContact OD1-CB 3.4Å; A419-A423 WeakPolarHBondContact O-CB 3.5Å; A419-A423 PolarHBondContact O-N 2.96Å; F420-A423 PolarHBondContact O-N 2.83Å; R421-A423 VanDerWaalsContact C-N 3.35Å; R421-A423 PolarHBondContact O-N 3.14Å; A423-I426 PolarHBondContact O-N 3.45Å; A423-Y427 HydrophobicContact CB-CE2 4.12Å; A423-Y427 WeakPolarHBondContact O-CD2 3.44Å; A423-Y427 PolarHBondContact O-N 3.43Å
424L92.1Very high89Confident12 Ų1260.1 Ų60.16%0.06330%0.3CS..Hα-helixtrans-60.8-44.1176.517962.9000111.9F420 R421 I426 Y427 I428 I438 A441 K442 L445F420-L424 WeakPolarHBondContact O-CB 3.38Å; F420-L424 PolarHBondContact O-N 3.49Å; R421-L424 WeakPolarHBondContact O-CB 3.35Å; R421-L424 PolarHBondContact O-N 3.04Å; L424-I426 VanDerWaalsContact C-N 3.3Å; L424-I426 PolarHBondContact O-N 3.29Å; L424-Y427 PolarHBondContact O-N 3.11Å; L424-Y427 VanDerWaalsContact O-N 3.14Å; L424-I428 HydrophobicContact CD1-CD1 4Å; L424-I428 HydrophobicContact CD1-CG1 4.16Å; L424-I428 HydrophobicContact CD2-CD1 4.46Å; L424-I428 HydrophobicContact CG-CD1 3.8Å; L424-I428 HydrophobicContact CG-CG1 4.39Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.33Å; L424-I428 PolarHBondContact O-N 3.44Å; L424-I438 HydrophobicContact CD1-CG2 4.07Å; L424-A441 HydrophobicContact CD1-CB 3.9Å; L424-K442 HydrophobicContact CD1-CG 3.79Å; L424-K442 HydrophobicContact CD2-CG 4.06Å; L424-L445 HydrophobicContact CD2-CD2 3.82Å
425D93.2Very high88.6Confident81 Ų8156 Ų5643%0.43328%0.28SS..Hα-helixtrans-59.2-42.1178-66-24.1000111.4R421 R422 I428 K429R421-D425 VanDerWaalsContact O-CG 3.24Å; R421-D425 PolarHBondContact O-N 3.48Å; R422-D425 PolarHBondContact O-N 3.35Å; D425-I428 PolarHBondContact O-N 3.47Å; D425-K429 WeakPolarHBondContact O-CG 3.39Å; D425-K429 PolarHBondContact O-N 3.09Å
426I91.5Very high88.3Confident5 Ų554.6 Ų54.63%0.02628%0.278CS..Hα-helixtrans-65.1-45.1175.1-62.4165.5000110.6D392 V396 A397 L400 R422 A423 L424 I428 K429 H430D392-I426 WeakPolarHBondContact O-CG2 3.36Å; V396-I426 HydrophobicContact CG1-CD1 4.25Å; A397-I426 HydrophobicContact CB-CB 3.87Å; A397-I426 HydrophobicContact CB-CD1 4.13Å; A397-I426 HydrophobicContact CB-CG2 3.77Å; L400-I426 HydrophobicContact CD1-CD1 4.03Å; R422-I426 WeakPolarHBondContact O-CG1 3.46Å; R422-I426 PolarHBondContact O-N 3.14Å; A423-I426 PolarHBondContact O-N 3.45Å; L424-I426 VanDerWaalsContact C-N 3.3Å; L424-I426 PolarHBondContact O-N 3.29Å; I426-I428 VanDerWaalsContact C-N 3.32Å; I426-I428 PolarHBondContact O-N 3.22Å; I426-K429 PolarHBondContact O-N 3.04Å; I426-H430 PolarHBondContact O-CD2 3.33Å; I426-H430 PolarHBondContact O-N 3.38Å
427Y90.9Very high87.9Confident11 Ų1157.8 Ų57.84%0.04329%0.294CS..Hα-helixtrans-63.5-35.5179.2-68.6-52.6000113.3L394 A397 K398 N401 A423 L424 K429 H430 H431 I437 A441L394-Y427 HydrophobicContact CD2-CD1 3.87Å; L394-Y427 HydrophobicContact CD2-CE1 4.17Å; A397-Y427 HydrophobicContact CB-CD1 4.15Å; A397-Y427 HydrophobicContact CB-CD2 4.33Å; A397-Y427 HydrophobicContact CB-CE1 3.66Å; A397-Y427 HydrophobicContact CB-CE2 3.84Å; A397-Y427 HydrophobicContact CB-CG 4.46Å; A397-Y427 VanDerWaalsContact CB-CZ 3.48Å; K398-Y427 WeakPolarHBondContact CA-OH 3.33Å; K398-Y427 PolarHBondContact N-OH 2.89Å; N401-Y427 WeakPolarHBondContact ND2-CE2 3.48Å; N401-Y427 PolarHBondContact ND2-OH 3.43Å; N401-Y427 VanDerWaalsContact ND2-OH 3.14Å; A423-Y427 HydrophobicContact CB-CE2 4.12Å; A423-Y427 WeakPolarHBondContact O-CD2 3.44Å; A423-Y427 PolarHBondContact O-N 3.43Å; L424-Y427 PolarHBondContact O-N 3.11Å; L424-Y427 VanDerWaalsContact O-N 3.14Å; Y427-K429 VanDerWaalsContact C-N 3.33Å; Y427-H430 PolarHBondContact O-N 2.95Å; Y427-H431 AromaticContact CD1-CD2 3.99Å; Y427-H431 WeakPolarHBondContact O-CB 3.49Å; Y427-H431 PolarHBondContact O-N 3.1Å; Y427-I437 HydrophobicContact CD1-CG2 3.55Å; Y427-I437 HydrophobicContact CD2-CG2 4.32Å; Y427-I437 HydrophobicContact CE1-CG2 3.68Å; Y427-I437 HydrophobicContact CE2-CG2 4.44Å; Y427-I437 HydrophobicContact CG-CG2 3.9Å; Y427-A441 HydrophobicContact CD2-CB 3.79Å; Y427-A441 HydrophobicContact CE2-CB 4.21Å
428I90.5Very high87.7Confident87 Ų8757.1 Ų57.145%0.44629%0.291SS..Hα-helixtrans-65.6-36.5177-70.1167.2000111.2L424 D425 I426 I438L424-I428 HydrophobicContact CD1-CD1 4Å; L424-I428 HydrophobicContact CD1-CG1 4.16Å; L424-I428 HydrophobicContact CD2-CD1 4.46Å; L424-I428 HydrophobicContact CG-CD1 3.8Å; L424-I428 HydrophobicContact CG-CG1 4.39Å; L424-I428 VanDerWaalsContact O-CG1 3.31Å; L424-I428 WeakPolarHBondContact O-CG1 3.33Å; L424-I428 PolarHBondContact O-N 3.44Å; D425-I428 PolarHBondContact O-N 3.47Å; I426-I428 VanDerWaalsContact C-N 3.32Å; I426-I428 PolarHBondContact O-N 3.22Å; I428-I438 HydrophobicContact CG1-CD1 4.25Å; I428-I438 HydrophobicContact CG1-CG2 4.42Å
429K89.7Confident87.4Confident141 Ų14154.4 Ų54.461%0.61327%0.269SS*.Hα-helixtrans-66.7-35.5177.1-69.1178.2-173.5-1770112.9D392 D425 I426 Y427D392-K429 IonicContact OD1-NZ 2.68Å; D392-K429 PolarHBondContact OD1-NZ 3.22Å; D425-K429 WeakPolarHBondContact O-CG 3.39Å; D425-K429 PolarHBondContact O-N 3.09Å; I426-K429 PolarHBondContact O-N 3.04Å; Y427-K429 VanDerWaalsContact C-N 3.33Å
430H85.1Confident87Confident97 Ų9757.5 Ų57.545%0.44928%0.281SS..Hα-helixtrans-98.3-22.3-171.8-77.4-82.2000114.9D392 L394 I426 Y427D392-H430 PolarHBondContact O-NE2 2.93Å; L394-H430 HydrophobicContact CD1-CB 4.4Å; L394-H430 HydrophobicContact CD2-CB 3.59Å; L394-H430 HydrophobicContact CG-CB 4.11Å; I426-H430 PolarHBondContact O-CD2 3.33Å; I426-H430 PolarHBondContact O-N 3.38Å; Y427-H430 PolarHBondContact O-N 2.95Å
431H83.5Confident86.8Confident52 Ų5257.6 Ų57.624%0.24128%0.282CS..SBendtrans-120.7153.2-174.9-63.4-65.2000112.7Y427 I438Y427-H431 AromaticContact CD1-CD2 3.99Å; Y427-H431 WeakPolarHBondContact O-CB 3.49Å; Y427-H431 PolarHBondContact O-N 3.1Å; H431-I438 HydrophobicContact CB-CD1 4.03Å; H431-I438 HydrophobicContact CB-CG1 4.29Å
432K81.6Confident86.7Confident155 Ų15555.2 Ų55.267%0.67427%0.274SS*.  trans-57.8142.2169.9-66.3-178.6179.9178.70109.7S434 S435 I438K432-S434 PolarHBondContact O-N 3.06Å; K432-S435 WeakPolarHBondContact O-CB 3.47Å; K432-S435 PolarHBondContact O-N 3.12Å; K432-I438 VanDerWaalsContact O-CD1 3.31Å; K432-I438 WeakPolarHBondContact O-CD1 3.42Å
433P77.4Confident86.4Confident106 Ų10651.6 Ų51.669%0.68826%0.261SS*.THydrogen-bonded Turntrans-52-28-179.1-29.435.2000115.1S435P433-S435 VanDerWaalsContact C-N 3.3Å; P433-S435 PolarHBondContact O-N 3.22Å
434S73.6Confident86.2Confident44 Ų4453.3 Ų53.331%0.30827%0.27SS..THydrogen-bonded Turntrans-80.40.1177.658.80000115K432 R439 D469K432-S434 PolarHBondContact O-N 3.06Å; S434-R439 PolarHBondContact O-NH2 2.9Å; S434-D469 WeakPolarHBondContact CA-OD2 3.47Å; S434-D469 WeakPolarHBondContact CB-OD1 3.32Å; S434-D469 WeakPolarHBondContact CB-OD2 3.42Å
435S80.5Confident86.2Confident17 Ų1753.1 Ų53.112%0.11927%0.269CS..  trans-64136.8-174.9176.40000111.8K432 P433 I437 I438 R439K432-S435 WeakPolarHBondContact O-CB 3.47Å; K432-S435 PolarHBondContact O-N 3.12Å; P433-S435 VanDerWaalsContact C-N 3.3Å; P433-S435 PolarHBondContact O-N 3.22Å; S435-I437 PolarHBondContact O-N 3Å; S435-I437 VanDerWaalsContact O-N 3.14Å; S435-I437 PolarHBondContact OG-N 3.25Å; S435-I438 PolarHBondContact O-N 3.37Å; S435-R439 PolarHBondContact O-N 2.86Å; S435-R439 VanDerWaalsContact O-N 3.15Å
436P82.4Confident86.1Confident55 Ų5549.2 Ų49.236%0.35725%0.249SC..Hα-helixtrans-57.2-28.917524.1-33.8000112.1R439 K440 E580P436-R439 PolarHBondContact O-N 3.25Å; P436-K440 WeakPolarHBondContact O-CB 3.46Å; P436-K440 WeakPolarHBondContact O-CG 3.49Å; P436-K440 PolarHBondContact O-N 3.26Å; P436-E580 WeakPolarHBondContact CB-OE1 3.44Å
437I82.5Confident85.9Confident66 Ų6650.4 Ų50.434%0.33826%0.257SS..Hα-helixtrans-64.1-45.5176.7-59.5169.8000110.7Y427 S435 K440 A441Y427-I437 HydrophobicContact CD1-CG2 3.55Å; Y427-I437 HydrophobicContact CD2-CG2 4.32Å; Y427-I437 HydrophobicContact CE1-CG2 3.68Å; Y427-I437 HydrophobicContact CE2-CG2 4.44Å; Y427-I437 HydrophobicContact CG-CG2 3.9Å; S435-I437 PolarHBondContact O-N 3Å; S435-I437 VanDerWaalsContact O-N 3.14Å; S435-I437 PolarHBondContact OG-N 3.25Å; I437-K440 PolarHBondContact O-N 2.9Å; I437-A441 WeakPolarHBondContact O-CB 3.46Å; I437-A441 PolarHBondContact O-N 3.37Å
438I87.1Confident85.8Confident3 Ų349.9 Ų49.92%0.01526%0.255CS..Hα-helixtrans-65.7-41.4177.7-65.1179.3000110L424 I428 H431 K432 S435 K440 A441 K442L424-I438 HydrophobicContact CD1-CG2 4.07Å; I428-I438 HydrophobicContact CG1-CD1 4.25Å; I428-I438 HydrophobicContact CG1-CG2 4.42Å; H431-I438 HydrophobicContact CB-CD1 4.03Å; H431-I438 HydrophobicContact CB-CG1 4.29Å; K432-I438 VanDerWaalsContact O-CD1 3.31Å; K432-I438 WeakPolarHBondContact O-CD1 3.42Å; S435-I438 PolarHBondContact O-N 3.37Å; I438-K440 PolarHBondContact O-N 3.35Å; I438-A441 PolarHBondContact O-N 3.45Å; I438-K442 HydrophobicContact CG2-CD 4.19Å; I438-K442 HydrophobicContact CG2-CG 4.35Å; I438-K442 WeakPolarHBondContact O-CB 3.38Å; I438-K442 WeakPolarHBondContact O-CG 2.98Å; I438-K442 PolarHBondContact O-N 2.85Å
439R87.2Confident85.8Confident21 Ų2145.9 Ų45.98%0.07924%0.235CC..Hα-helixtrans-61.4-43.9176.5-67.5-169.6-123.6-109.7-4.3112.1S434 S435 P436 K442 S443 V465 D469 V583S434-R439 PolarHBondContact O-NH2 2.9Å; S435-R439 PolarHBondContact O-N 2.86Å; S435-R439 VanDerWaalsContact O-N 3.15Å; P436-R439 PolarHBondContact O-N 3.25Å; R439-K442 PolarHBondContact O-N 3.16Å; R439-S443 PolarHBondContact O-N 3.31Å; R439-V465 HydrophobicContact CB-CG1 4.26Å; R439-D469 IonicContact CZ-OD2 3.81Å; R439-D469 VanDerWaalsContact CZ-OD2 3.29Å; R439-D469 IonicContact NH1-OD2 3.23Å; R439-D469 PolarHBondContact NH1-OD2 3.29Å; R439-D469 IonicContact NH2-OD2 2.91Å; R439-D469 PolarHBondContact NH2-OD2 3.13Å; R439-V583 HydrophobicContact CB-CG1 4.01Å
440K85.7Confident85.7Confident75 Ų7539.6 Ų39.633%0.32621%0.208SC..Hα-helixtrans-60.8-47.7173.7-75.7174.5-178.9168.50111.4P436 I437 I438 K442 S443 N444 E580 V583P436-K440 WeakPolarHBondContact O-CB 3.46Å; P436-K440 WeakPolarHBondContact O-CG 3.49Å; P436-K440 PolarHBondContact O-N 3.26Å; I437-K440 PolarHBondContact O-N 2.9Å; I438-K440 PolarHBondContact O-N 3.35Å; K440-K442 PolarHBondContact O-N 2.86Å; K440-S443 WeakPolarHBondContact O-CB 3.36Å; K440-S443 PolarHBondContact O-N 3.07Å; K440-N444 PolarHBondContact O-N 3.21Å; K440-E580 WeakPolarHBondContact CE-OE2 3.41Å; K440-E580 IonicContact NZ-OE1 3.46Å; K440-E580 IonicContact NZ-OE2 2.9Å; K440-E580 PolarHBondContact NZ-OE2 3.11Å; K440-V583 HydrophobicContact CD-CG2 4.32Å; K440-V583 HydrophobicContact CG-CG2 3.59Å
441A88.3Confident85.8Confident3 Ų338.2 Ų38.23%0.02520%0.2CC..Hα-helixtrans-60.6-42.7178.400000112.6L424 Y427 I437 I438 N444 L445L424-A441 HydrophobicContact CD1-CB 3.9Å; Y427-A441 HydrophobicContact CD2-CB 3.79Å; Y427-A441 HydrophobicContact CE2-CB 4.21Å; I437-A441 WeakPolarHBondContact O-CB 3.46Å; I437-A441 PolarHBondContact O-N 3.37Å; I438-A441 PolarHBondContact O-N 3.45Å; A441-N444 PolarHBondContact O-N 3.47Å; A441-L445 PolarHBondContact O-N 2.87Å
442K90.7Very high85.9Confident48 Ų4840.8 Ų40.821%0.20921%0.208CC..Hα-helixtrans-62.5-41.8173.5-74.3179.7172.2-171.20112.5L424 I438 R439 K440 N444 L445 A446 S464 V465L424-K442 HydrophobicContact CD1-CG 3.79Å; L424-K442 HydrophobicContact CD2-CG 4.06Å; I438-K442 HydrophobicContact CG2-CD 4.19Å; I438-K442 HydrophobicContact CG2-CG 4.35Å; I438-K442 WeakPolarHBondContact O-CB 3.38Å; I438-K442 WeakPolarHBondContact O-CG 2.98Å; I438-K442 PolarHBondContact O-N 2.85Å; R439-K442 PolarHBondContact O-N 3.16Å; K440-K442 PolarHBondContact O-N 2.86Å; K442-N444 VanDerWaalsContact C-N 3.33Å; K442-N444 PolarHBondContact O-N 3.25Å; K442-L445 PolarHBondContact O-N 3.38Å; K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 3.16Å; K442-S464 WeakPolarHBondContact CD-OG 3.47Å; K442-S464 PolarHBondContact NZ-OG 3.24Å; K442-V465 HydrophobicContact CB-CG2 3.49Å; K442-V465 VanDerWaalsContact CB-CG2 3.49Å; K442-V465 HydrophobicContact CD-CG2 4.12Å; K442-V465 HydrophobicContact CG-CG2 4.48Å
443S88.6Confident86.1Confident4 Ų443.4 Ų43.43%0.02821%0.214CC..Hα-helixtrans-62.5-39.8176.2-169.10000112R439 K440 A446 S447 S586R439-S443 PolarHBondContact O-N 3.31Å; K440-S443 WeakPolarHBondContact O-CB 3.36Å; K440-S443 PolarHBondContact O-N 3.07Å; S443-A446 PolarHBondContact O-N 2.9Å; S443-S447 PolarHBondContact O-N 3.42Å; S443-S447 PolarHBondContact O-OG 2.71Å; S443-S586 PolarHBondContact OG-OG 3.15Å
444N88.4Confident86.7Confident37 Ų3741.1 Ų41.120%0.19820%0.196CC..Hα-helixtrans-65.2-44.8175.2-69.8-11000112F420 K440 A441 K442 S447 A448F420-N444 HydrophobicContact CD1-CB 4.05Å; F420-N444 HydrophobicContact CE1-CB 3.77Å; F420-N444 HydrophobicContact CE2-CB 4.36Å; F420-N444 HydrophobicContact CG-CB 4.49Å; F420-N444 HydrophobicContact CZ-CB 3.94Å; K440-N444 PolarHBondContact O-N 3.21Å; A441-N444 PolarHBondContact O-N 3.47Å; K442-N444 VanDerWaalsContact C-N 3.33Å; K442-N444 PolarHBondContact O-N 3.25Å; N444-S447 WeakPolarHBondContact O-CB 3.32Å; N444-S447 PolarHBondContact O-N 2.74Å; N444-A448 PolarHBondContact O-N 3.37Å
445L91.1Very high87.4Confident7 Ų740.7 Ų40.74%0.03719%0.19CC..Hα-helixtrans-62.3-43.1175.5-178.560.1000111.7E417 F420 L424 A441 K442 S447 A448 L449 L461E417-L445 HydrophobicContact CG-CD1 3.89Å; F420-L445 HydrophobicContact CB-CB 4.19Å; F420-L445 HydrophobicContact CB-CD1 3.84Å; L424-L445 HydrophobicContact CD2-CD2 3.82Å; A441-L445 PolarHBondContact O-N 2.87Å; K442-L445 PolarHBondContact O-N 3.38Å; L445-S447 VanDerWaalsContact C-N 3.29Å; L445-S447 PolarHBondContact O-N 2.7Å; L445-A448 WeakPolarHBondContact O-CB 3.43Å; L445-A448 PolarHBondContact O-N 3.47Å; L445-A448 VanDerWaalsContact O-N 3.09Å; L445-L449 HydrophobicContact CG-CD1 4.27Å; L445-L449 WeakPolarHBondContact O-CG 3.31Å; L445-L449 PolarHBondContact O-N 2.99Å; L445-L461 HydrophobicContact CB-CD1 4.12Å; L445-L461 HydrophobicContact CD2-CD1 3.62Å; L445-L461 HydrophobicContact CG-CD1 3.66Å
446A90.9Very high88Confident0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-60.2-39.7174.700000112.2K442 S443 A448 L449 L450 L461 L462K442-A446 WeakPolarHBondContact O-CB 3.44Å; K442-A446 PolarHBondContact O-N 3.16Å; S443-A446 PolarHBondContact O-N 2.9Å; A446-A448 VanDerWaalsContact C-N 3.3Å; A446-A448 PolarHBondContact O-N 3.47Å; A446-L449 PolarHBondContact O-N 2.65Å; A446-L450 WeakPolarHBondContact O-CB 3.4Å; A446-L450 WeakPolarHBondContact O-CG 2.95Å; A446-L450 PolarHBondContact O-N 2.9Å; A446-L461 HydrophobicContact CB-CB 4.17Å; A446-L462 HydrophobicContact CB-CD1 4.27Å; A446-L462 HydrophobicContact CB-CD2 3.81Å; A446-L462 HydrophobicContact CB-CG 3.69Å
447S88Confident88.4Confident29 Ų2944.1 Ų44.120%0.20321%0.213CC..Hα-helixtrans-62.3-36.6174.4-55.80000112.2S443 N444 L445 K451 N590S443-S447 PolarHBondContact O-N 3.42Å; S443-S447 PolarHBondContact O-OG 2.71Å; N444-S447 WeakPolarHBondContact O-CB 3.32Å; N444-S447 PolarHBondContact O-N 2.74Å; L445-S447 VanDerWaalsContact C-N 3.29Å; L445-S447 PolarHBondContact O-N 2.7Å; S447-K451 PolarHBondContact O-N 2.63Å; S447-N590 PolarHBondContact OG-ND2 2.91Å
448A88.8Confident88.8Confident1 Ų141 Ų411%0.00820%0.196CC..Hα-helixtrans-69.3-43.9175.100000112.4V416 F420 N444 L445 A446 L450 K451 R452V416-A448 HydrophobicContact CG1-CB 3.69Å; F420-A448 HydrophobicContact CD2-CB 3.8Å; F420-A448 HydrophobicContact CE2-CB 4.15Å; N444-A448 PolarHBondContact O-N 3.37Å; L445-A448 WeakPolarHBondContact O-CB 3.43Å; L445-A448 PolarHBondContact O-N 3.47Å; L445-A448 VanDerWaalsContact O-N 3.09Å; A446-A448 VanDerWaalsContact C-N 3.3Å; A446-A448 PolarHBondContact O-N 3.47Å; A448-L450 VanDerWaalsContact C-N 3.32Å; A448-L450 PolarHBondContact O-N 3.48Å; A448-K451 PolarHBondContact O-N 2.9Å; A448-R452 PolarHBondContact O-N 3.15Å; A448-R452 VanDerWaalsContact O-N 3.16Å
449L90.8Very high89Confident3 Ų342.3 Ų42.32%0.01620%0.203CC..Hα-helixtrans-62.4-38.2176.9-69.9167.8000112.2E417 L445 A446 K451 R452 R453 N454 D457 A458 L461E417-L449 HydrophobicContact CG-CD2 4.08Å; E417-L449 VanDerWaalsContact OE2-CD2 3.29Å; E417-L449 WeakPolarHBondContact OE2-CD2 3.17Å; L445-L449 HydrophobicContact CG-CD1 4.27Å; L445-L449 WeakPolarHBondContact O-CG 3.31Å; L445-L449 PolarHBondContact O-N 2.99Å; A446-L449 PolarHBondContact O-N 2.65Å; L449-K451 VanDerWaalsContact C-N 3.29Å; L449-K451 PolarHBondContact O-N 2.97Å; L449-R452 CarbonylContact O-C 3.52Å; L449-R452 PolarHBondContact O-N 3.23Å; L449-R452 VanDerWaalsContact O-N 3.13Å; L449-R453 PolarHBondContact O-N 2.85Å; L449-R453 VanDerWaalsContact O-N 3.11Å; L449-N454 HydrophobicContact CD2-CB 4.21Å; L449-N454 PolarHBondContact O-N 3.47Å; L449-D457 HydrophobicContact CD1-CB 3.84Å; L449-D457 HydrophobicContact CD2-CB 4.44Å; L449-A458 HydrophobicContact CB-CB 3.93Å; L449-L461 HydrophobicContact CD1-CD1 3.58Å
450L88Confident89.2Confident8 Ų845.1 Ų45.14%0.04223%0.225CC..Hα-helixtrans-56.6-41.6171.4-83.9177.5000112A446 A448 R453 L455 A458 N590 I593 V594 R597A446-L450 WeakPolarHBondContact O-CB 3.4Å; A446-L450 WeakPolarHBondContact O-CG 2.95Å; A446-L450 PolarHBondContact O-N 2.9Å; A448-L450 VanDerWaalsContact C-N 3.32Å; A448-L450 PolarHBondContact O-N 3.48Å; L450-R453 PolarHBondContact O-N 3.35Å; L450-L455 HydrophobicContact CD2-CD2 3.87Å; L450-A458 HydrophobicContact CD2-CB 4.27Å; L450-A458 HydrophobicContact CG-CB 4.07Å; L450-N590 HydrophobicContact CD1-CB 3.77Å; L450-I593 HydrophobicContact CD2-CG2 4.36Å; L450-V594 HydrophobicContact CD1-CG2 4.44Å; L450-V594 HydrophobicContact CD2-CB 4.47Å; L450-V594 HydrophobicContact CD2-CG2 3.45Å; L450-V594 VanDerWaalsContact CD2-CG2 3.45Å; L450-V594 HydrophobicContact CG-CG2 4.24Å; L450-R597 PolarHBondContact O-NH1 3.49Å
451K86.2Confident89.5Confident69 Ų6943 Ų4330%0.322%0.218SC..Hα-helixtrans-69.2-32.6177.3-66.7-168.8-178.3-177.60112.4Q408 F413 S447 A448 L449 R453Q408-K451 VanDerWaalsContact CD-NZ 3.3Å; Q408-K451 HydrophobicContact CG-CD 3.94Å; F413-K451 HydrophobicContact CD1-CB 3.72Å; F413-K451 HydrophobicContact CD1-CD 4.08Å; F413-K451 HydrophobicContact CE1-CB 3.69Å; F413-K451 HydrophobicContact CE1-CD 3.47Å; F413-K451 VanDerWaalsContact CE1-CD 3.47Å; F413-K451 HydrophobicContact CE1-CG 4.16Å; F413-K451 HydrophobicContact CG-CB 4.33Å; F413-K451 HydrophobicContact CZ-CB 4.23Å; F413-K451 HydrophobicContact CZ-CD 4.26Å; S447-K451 PolarHBondContact O-N 2.63Å; A448-K451 PolarHBondContact O-N 2.9Å; L449-K451 VanDerWaalsContact C-N 3.29Å; L449-K451 PolarHBondContact O-N 2.97Å; K451-R453 VanDerWaalsContact C-N 3.25Å; K451-R453 PolarHBondContact O-N 3.41Å
452R86.3Confident89.6Confident105 Ų10542.9 Ų42.940%0.39622%0.217SC..THydrogen-bonded Turntrans-76.6-3172.5-68.5-172.374.3-178.78.1114.9F413 D414 E417 A448 L449 N454F413-R452 HydrophobicContact CB-CG 3.6Å; D414-R452 IonicContact OD1-CZ 3.06Å; D414-R452 IonicContact OD1-NE 3.77Å; D414-R452 PolarHBondContact OD1-NE 2.96Å; D414-R452 VanDerWaalsContact OD1-NE 3.09Å; D414-R452 IonicContact OD1-NH1 2.71Å; D414-R452 IonicContact OD1-NH2 3.04Å; D414-R452 PolarHBondContact OD1-NH2 2.91Å; E417-R452 IonicContact OE1-NH1 3.23Å; E417-R452 PolarHBondContact OE1-NH1 3.43Å; E417-R452 WeakPolarHBondContact OE2-CD 3.46Å; E417-R452 IonicContact OE2-CZ 2.88Å; E417-R452 IonicContact OE2-NE 3.59Å; E417-R452 IonicContact OE2-NH1 3.13Å; E417-R452 PolarHBondContact OE2-NH1 2.97Å; A448-R452 PolarHBondContact O-N 3.15Å; A448-R452 VanDerWaalsContact O-N 3.16Å; L449-R452 CarbonylContact O-C 3.52Å; L449-R452 PolarHBondContact O-N 3.23Å; L449-R452 VanDerWaalsContact O-N 3.13Å; R452-N454 PolarHBondContact O-N 3.3Å
453R85.5Confident89.6Confident211 Ų21142.8 Ų42.880%0.79622%0.216SC*.THydrogen-bonded Turntrans6417.5-173.5-52.7-177.8173.4-168.4-2.1114.7L449 L450 K451 L455L449-R453 PolarHBondContact O-N 2.85Å; L449-R453 VanDerWaalsContact O-N 3.11Å; L450-R453 PolarHBondContact O-N 3.35Å; K451-R453 VanDerWaalsContact C-N 3.25Å; K451-R453 PolarHBondContact O-N 3.41Å; R453-L455 PolarHBondContact O-N 2.93Å; R453-L455 VanDerWaalsContact O-N 3.1Å
454N89.7Confident89.6Confident58 Ų5844.6 Ų44.631%0.3123%0.229SC..  trans-83.584.9170-171.4-9.1000109.3L449 R452 D457 A458L449-N454 HydrophobicContact CD2-CB 4.21Å; L449-N454 PolarHBondContact O-N 3.47Å; R452-N454 PolarHBondContact O-N 3.3Å; N454-D457 PolarHBondContact ND2-OD2 3.38Å; N454-D457 PolarHBondContact OD1-N 3.22Å; N454-A458 WeakPolarHBondContact O-CB 3.33Å; N454-A458 PolarHBondContact O-N 3.01Å
455L89.8Confident89.6Confident34 Ų3442.9 Ų42.918%0.17822%0.219CC..Hα-helixtrans-75.1-35.4-171.6-57.4-179000112.8L450 R453 A458 E459 V594 R597 Q598L450-L455 HydrophobicContact CD2-CD2 3.87Å; R453-L455 PolarHBondContact O-N 2.93Å; R453-L455 VanDerWaalsContact O-N 3.1Å; L455-A458 PolarHBondContact O-N 2.9Å; L455-E459 WeakPolarHBondContact O-CB 3.43Å; L455-E459 PolarHBondContact O-N 3.18Å; L455-V594 HydrophobicContact CB-CG1 4.46Å; L455-R597 HydrophobicContact CD1-CB 3.67Å; L455-R597 HydrophobicContact CD2-CB 4.23Å; L455-Q598 HydrophobicContact CD1-CG 4.06Å
456A91.2Very high89.4Confident65 Ų6542.5 Ų42.554%0.53722%0.218SC..Hα-helixtrans-65.9-46.5-176.600000111.8E459 S460A456-E459 PolarHBondContact O-N 3.46Å; A456-S460 PolarHBondContact O-N 3.38Å
457D91.1Very high89.2Confident79 Ų7944.6 Ų44.642%0.42223%0.231SC..Hα-helixtrans-68.6-37.1178.2-68-14.2000111.5L449 N454 S460 L461L449-D457 HydrophobicContact CD1-CB 3.84Å; L449-D457 HydrophobicContact CD2-CB 4.44Å; N454-D457 PolarHBondContact ND2-OD2 3.38Å; N454-D457 PolarHBondContact OD1-N 3.22Å; D457-S460 PolarHBondContact O-N 3.03Å; D457-L461 WeakPolarHBondContact O-CG 3.33Å; D457-L461 PolarHBondContact O-N 3.43Å; D457-L461 VanDerWaalsContact O-N 3.07Å
458A91.3Very high88.8Confident0 Ų043.7 Ų43.70%022%0.224CC..Hα-helixtrans-62-44.6174.400000111.6L449 L450 N454 L455 L461 L462 V594L449-A458 HydrophobicContact CB-CB 3.93Å; L450-A458 HydrophobicContact CD2-CB 4.27Å; L450-A458 HydrophobicContact CG-CB 4.07Å; N454-A458 WeakPolarHBondContact O-CB 3.33Å; N454-A458 PolarHBondContact O-N 3.01Å; L455-A458 PolarHBondContact O-N 2.9Å; A458-L461 PolarHBondContact O-N 2.82Å; A458-L462 WeakPolarHBondContact O-CB 3.41Å; A458-L462 WeakPolarHBondContact O-CD1 3.35Å; A458-L462 WeakPolarHBondContact O-CG 3.46Å; A458-L462 PolarHBondContact O-N 3.26Å; A458-V594 HydrophobicContact CB-CG2 4.24Å
459E91.5Very high87.8Confident32 Ų3247.2 Ų47.215%0.1524%0.242CC..Hα-helixtrans-60.3-47.9177.1-164.4-176.5155.700111.6L455 A456 L461 L462 K463 L591 V594 Y595 Q598L455-E459 WeakPolarHBondContact O-CB 3.43Å; L455-E459 PolarHBondContact O-N 3.18Å; A456-E459 PolarHBondContact O-N 3.46Å; E459-L461 PolarHBondContact O-N 3.33Å; E459-L462 PolarHBondContact O-N 2.92Å; E459-K463 HydrophobicContact CG-CD 4.29Å; E459-K463 WeakPolarHBondContact O-CB 3.37Å; E459-K463 WeakPolarHBondContact O-CG 3.34Å; E459-K463 PolarHBondContact O-N 3.12Å; E459-K463 WeakPolarHBondContact OE1-CE 3.37Å; E459-K463 IonicContact OE1-NZ 2.74Å; E459-K463 PolarHBondContact OE1-NZ 3.26Å; E459-L591 HydrophobicContact CG-CD1 4.05Å; E459-V594 HydrophobicContact CB-CG1 3.97Å; E459-V594 HydrophobicContact CG-CG1 4.2Å; E459-Y595 HydrophobicContact CG-CE1 4.36Å; E459-Y595 PolarHBondContact OE1-OH 2.85Å; E459-Q598 PolarHBondContact OE2-NE2 2.89Å; E459-Q598 PolarHBondContact OE2-OE1 3.28Å
460S92.5Very high86.2Confident79 Ų7953 Ų5355%0.55227%0.269SS*.Hα-helixtrans-57.6-46.7179-179.50000111.8A456 D457 S464A456-S460 PolarHBondContact O-N 3.38Å; D457-S460 PolarHBondContact O-N 3.03Å; S460-S464 PolarHBondContact O-N 3.2Å
461L91.1Very high84.1Confident32 Ų3254.5 Ų54.517%0.16829%0.286CS..Hα-helixtrans-64-44.4177-72.7178000112.3L445 A446 L449 D457 A458 E459 S464 V465L445-L461 HydrophobicContact CB-CD1 4.12Å; L445-L461 HydrophobicContact CD2-CD1 3.62Å; L445-L461 HydrophobicContact CG-CD1 3.66Å; A446-L461 HydrophobicContact CB-CB 4.17Å; L449-L461 HydrophobicContact CD1-CD1 3.58Å; D457-L461 WeakPolarHBondContact O-CG 3.33Å; D457-L461 PolarHBondContact O-N 3.43Å; D457-L461 VanDerWaalsContact O-N 3.07Å; A458-L461 PolarHBondContact O-N 2.82Å; E459-L461 PolarHBondContact O-N 3.33Å; L461-S464 WeakPolarHBondContact O-CB 3.37Å; L461-S464 PolarHBondContact O-N 3.1Å; L461-S464 VanDerWaalsContact O-N 3.16Å; L461-S464 PolarHBondContact O-OG 3.15Å; L461-V465 WeakPolarHBondContact O-CG2 3.25Å; L461-V465 PolarHBondContact O-N 3.02Å
462L90.4Very high81.7Confident0 Ų059.4 Ų59.40%030%0.304CS..Hα-helixtrans-65.2-41.6179.7-70.2165.9000112A446 A458 E459 S464 V465 L466 A587 N590 L591 V594A446-L462 HydrophobicContact CB-CD1 4.27Å; A446-L462 HydrophobicContact CB-CD2 3.81Å; A446-L462 HydrophobicContact CB-CG 3.69Å; A458-L462 WeakPolarHBondContact O-CB 3.41Å; A458-L462 WeakPolarHBondContact O-CD1 3.35Å; A458-L462 WeakPolarHBondContact O-CG 3.46Å; A458-L462 PolarHBondContact O-N 3.26Å; E459-L462 PolarHBondContact O-N 2.92Å; L462-S464 VanDerWaalsContact C-N 3.27Å; L462-S464 PolarHBondContact O-N 3.47Å; L462-V465 PolarHBondContact O-N 3.44Å; L462-V465 VanDerWaalsContact O-N 3.13Å; L462-L466 WeakPolarHBondContact O-CG 3.49Å; L462-L466 PolarHBondContact O-N 2.96Å; L462-A587 HydrophobicContact CD2-CB 3.97Å; L462-N590 HydrophobicContact CD1-CB 3.81Å; L462-N590 HydrophobicContact CD2-CB 3.83Å; L462-N590 HydrophobicContact CG-CB 4.49Å; L462-L591 HydrophobicContact CB-CD1 4.17Å; L462-L591 HydrophobicContact CD1-CB 4.19Å; L462-L591 HydrophobicContact CD1-CD1 4.35Å; L462-V594 HydrophobicContact CD1-CG2 3.94Å
463K91Very high79.1Confident46 Ų4657.4 Ų57.420%0.231%0.31CS..Hα-helixtrans-59.6-39.8172-75.4-177173.4173.80111.2E459 V465 L466 T467 W553 Y595E459-K463 HydrophobicContact CG-CD 4.29Å; E459-K463 WeakPolarHBondContact O-CB 3.37Å; E459-K463 WeakPolarHBondContact O-CG 3.34Å; E459-K463 PolarHBondContact O-N 3.12Å; E459-K463 WeakPolarHBondContact OE1-CE 3.37Å; E459-K463 IonicContact OE1-NZ 2.74Å; E459-K463 PolarHBondContact OE1-NZ 3.26Å; K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 3.21Å; K463-L466 CarbonylContact O-C 3.33Å; K463-L466 PolarHBondContact O-N 3.06Å; K463-T467 PolarHBondContact O-N 3.38Å; K463-T467 PolarHBondContact O-OG1 3.01Å; K463-W553 HydrophobicContact CB-CG 4.42Å; K463-W553 HydrophobicContact CD-CD2 4.18Å; K463-W553 HydrophobicContact CD-CG 4.13Å; K463-W553 HydrophobicContact CG-CB 4.18Å; K463-W553 HydrophobicContact CG-CD2 4.45Å; K463-W553 HydrophobicContact CG-CG 3.91Å; K463-Y595 VanDerWaalsContact CE-OH 3.3Å; K463-Y595 WeakPolarHBondContact CE-OH 3.47Å
464S88.6Confident76.5Confident42 Ų4251 Ų5129%0.29430%0.297SS..Hα-helixtrans-66.5-31.1175.7880000113.6K442 S460 L461 L462K442-S464 WeakPolarHBondContact CD-OG 3.47Å; K442-S464 PolarHBondContact NZ-OG 3.24Å; S460-S464 PolarHBondContact O-N 3.2Å; L461-S464 WeakPolarHBondContact O-CB 3.37Å; L461-S464 PolarHBondContact O-N 3.1Å; L461-S464 VanDerWaalsContact O-N 3.16Å; L461-S464 PolarHBondContact O-OG 3.15Å; L462-S464 VanDerWaalsContact C-N 3.27Å; L462-S464 PolarHBondContact O-N 3.47Å
465V87.7Confident73.9Confident0 Ų053.3 Ų53.30%031%0.309CS..Hα-helixtrans-72.3-36.1174.6171.60000111.2R439 K442 L461 L462 K463 T467 V583 A587R439-V465 HydrophobicContact CB-CG1 4.26Å; K442-V465 HydrophobicContact CB-CG2 3.49Å; K442-V465 VanDerWaalsContact CB-CG2 3.49Å; K442-V465 HydrophobicContact CD-CG2 4.12Å; K442-V465 HydrophobicContact CG-CG2 4.48Å; L461-V465 WeakPolarHBondContact O-CG2 3.25Å; L461-V465 PolarHBondContact O-N 3.02Å; L462-V465 PolarHBondContact O-N 3.44Å; L462-V465 VanDerWaalsContact O-N 3.13Å; K463-V465 VanDerWaalsContact C-N 3.33Å; K463-V465 PolarHBondContact O-N 3.21Å; V465-T467 VanDerWaalsContact C-N 3.31Å; V465-T467 PolarHBondContact O-N 3.47Å; V465-V583 HydrophobicContact CG1-CG1 3.77Å; V465-A587 HydrophobicContact CG1-CB 3.96Å
466L87.3Confident71.1Confident0 Ų059.2 Ų59.20%034%0.336CS..THydrogen-bonded Turntrans-90.714-178-64.3170.4000114L462 K463 L552 W573 V584 A587 V588 L591L462-L466 WeakPolarHBondContact O-CG 3.49Å; L462-L466 PolarHBondContact O-N 2.96Å; K463-L466 CarbonylContact O-C 3.33Å; K463-L466 PolarHBondContact O-N 3.06Å; L466-L552 HydrophobicContact CB-CB 4.15Å; L466-L552 HydrophobicContact CD1-CD2 4.2Å; L466-L552 HydrophobicContact CD2-CD2 3.95Å; L466-L552 PolarHBondContact O-N 3.04Å; L466-W573 HydrophobicContact CB-CH2 4.36Å; L466-W573 HydrophobicContact CD2-CH2 4.2Å; L466-W573 HydrophobicContact CD2-CZ3 4.22Å; L466-W573 WeakPolarHBondContact O-CH2 3.41Å; L466-W573 WeakPolarHBondContact O-CZ2 3.44Å; L466-V584 HydrophobicContact CD2-CG1 4.27Å; L466-A587 HydrophobicContact CD1-CB 4.28Å; L466-A587 HydrophobicContact CD2-CB 3.94Å; L466-A587 HydrophobicContact CG-CB 4.02Å; L466-V588 HydrophobicContact CD1-CG2 4.39Å; L466-V588 HydrophobicContact CD2-CG2 4.19Å; L466-L591 HydrophobicContact CD1-CD2 3.82Å
467T86.7Confident68.3Low44 Ų4463.2 Ų63.227%0.2734%0.343SS..SBendtrans-101.4119.5174.4-63.60000109K463 V465 P551K463-T467 PolarHBondContact O-N 3.38Å; K463-T467 PolarHBondContact O-OG1 3.01Å; V465-T467 VanDerWaalsContact C-N 3.31Å; V465-T467 PolarHBondContact O-N 3.47Å; T467-P551 HydrophobicContact CG2-CB 4.49Å; T467-P551 HydrophobicContact CG2-CG 4.11Å
468P78.9Confident65.2Low9 Ų967.7 Ų67.76%0.05835%0.354CS..  trans-62.3144.5174.4-22.233000111.5H470 V549 W573 A577P468-H470 PolarHBondContact O-N 3.46Å; P468-H470 VanDerWaalsContact O-N 3.14Å; P468-V549 HydrophobicContact CB-CB 4.26Å; P468-V549 HydrophobicContact CG-CB 3.97Å; P468-V549 HydrophobicContact CG-CG1 3.78Å; P468-W573 HydrophobicContact CG-CZ2 4.05Å; P468-A577 HydrophobicContact CB-CB 4.21Å; P468-A577 HydrophobicContact CG-CB 3.88Å
469D68.4Low62.5Low75 Ų7571.2 Ų71.240%0.40138%0.379SS..  trans-74.7106.3179.9-60.2-69.5000110.3S434 R439 G471S434-D469 WeakPolarHBondContact CA-OD2 3.47Å; S434-D469 WeakPolarHBondContact CB-OD1 3.32Å; S434-D469 WeakPolarHBondContact CB-OD2 3.42Å; R439-D469 IonicContact CZ-OD2 3.81Å; R439-D469 VanDerWaalsContact CZ-OD2 3.29Å; R439-D469 IonicContact NH1-OD2 3.23Å; R439-D469 PolarHBondContact NH1-OD2 3.29Å; R439-D469 IonicContact NH2-OD2 2.91Å; R439-D469 PolarHBondContact NH2-OD2 3.13Å; D469-G471 PolarHBondContact O-N 3.16Å
470H56.7Low59.7Low125 Ų12577.4 Ų77.458%0.57941%0.407SS*.  trans-74.559.9171.7-57.5-47.7000111P468 V549P468-H470 PolarHBondContact O-N 3.46Å; P468-H470 VanDerWaalsContact O-N 3.14Å; H470-V549 PolarHBondContact CE1-O 3.13Å
471G43.9Very low57Low39 Ų3980.6 Ų80.640%0.40242%0.418SS..  trans-114-4.1-166.600000116.8D469D469-G471 PolarHBondContact O-N 3.16Å
472Y37.2Very low54.1Low173 Ų17384.7 Ų84.768%0.67844%0.437SS*.SBendtrans-117.4-6.4-177.8-84.8-84.1000115.1S474 I475Y472-S474 VanDerWaalsContact C-N 3.32Å; Y472-S474 PolarHBondContact O-N 3.06Å; Y472-I475 HydrophobicContact CD1-CD1 4.33Å; Y472-I475 HydrophobicContact CE1-CD1 4.43Å
473A31.1Very low51.4Low63 Ų6391.3 Ų91.352%0.52147%0.472SS..Hα-helixtrans-73.3-21.8177.300000113.4
474S31.6Very low48.7Very low75 Ų7596.2 Ų96.252%0.52450%0.501SS..Hα-helixtrans-83-15.7-177.654.90000114.5Y472 R478Y472-S474 VanDerWaalsContact C-N 3.32Å; Y472-S474 PolarHBondContact O-N 3.06Å; S474-R478 PolarHBondContact O-N 2.84Å
475I33.7Very low45.8Very low107 Ų107102.9 Ų102.955%0.54953%0.525SS..Hα-helixtrans-83.9-31.2-176.6-63.2174.9000111.6Y472 S479Y472-I475 HydrophobicContact CD1-CD1 4.33Å; Y472-I475 HydrophobicContact CE1-CD1 4.43Å; I475-S479 PolarHBondContact O-N 2.95Å
476Q32.1Very low43Very low159 Ų159110.6 Ų110.674%0.74357%0.565SS**Hα-helixtrans-81.5-22.3176.7-77.3-176.1-23.900114S479Q476-S479 PolarHBondContact O-OG 3.47Å
477Q31.7Very low40.2Very low149 Ų149119 Ų11970%0.69661%0.605SS**Hα-helixtrans-80.5-27.2170.3-79.2-178.3-22.200112.4
478R26.9Very low37.3Very low172 Ų172122.2 Ų122.265%0.64963%0.629SS**Hα-helixtrans-74.7-33.4176.1-130.3173.8-170.8177.50.4112.7S474 H480 L481 M482S474-R478 PolarHBondContact O-N 2.84Å; R478-H480 PolarHBondContact O-N 2.97Å; R478-L481 PolarHBondContact O-N 3.36Å; R478-L481 VanDerWaalsContact O-N 3.13Å; R478-M482 HydrophobicContact CG-CG 4.49Å; R478-M482 HydrophobicContact CG-SD 3.96Å; R478-M482 WeakPolarHBondContact O-CB 3.31Å; R478-M482 PolarHBondContact O-N 2.84Å
479S32.8Very low35Very low74 Ų74130.7 Ų130.752%0.51767%0.667SS.*THydrogen-bonded Turntrans-66-21.6176590000113.7I475 Q476I475-S479 PolarHBondContact O-N 2.95Å; Q476-S479 PolarHBondContact O-OG 3.47Å
480H34.2Very low32.9Very low163 Ų163135 Ų13576%0.75569%0.69SS**THydrogen-bonded Turntrans-87.6-14.6175.3-126.8-39000113.7R478R478-H480 PolarHBondContact O-N 2.97Å
481L35.3Very low31.8Very low146 Ų146135.4 Ų135.476%0.76470%0.701SS**THydrogen-bonded Turntrans-112.8-10-179.3-69.1172.5000113.7R478R478-L481 PolarHBondContact O-N 3.36Å; R478-L481 VanDerWaalsContact O-N 3.13Å
482M30.9Very low31Very low117 Ų117142.3 Ų142.358%0.57672%0.723SS**  trans-97.39.5178.7-93.3176.5133.900115.5R478 N484R478-M482 HydrophobicContact CG-CG 4.49Å; R478-M482 HydrophobicContact CG-SD 3.96Å; R478-M482 WeakPolarHBondContact O-CB 3.31Å; R478-M482 PolarHBondContact O-N 2.84Å; M482-N484 PolarHBondContact O-N 2.86Å
483N31.9Very low30.5Very low139 Ų139142.5 Ų142.574%0.74373%0.73SS**THydrogen-bonded Turntrans-77.79171.4-85.4-14.7000114.3
484N35.7Very low30.2Very low149 Ų149146.3 Ų146.380%0.79774%0.742SS**THydrogen-bonded Turntrans-124.89.3-180-78.8-26.9000114.9M482M482-N484 PolarHBondContact O-N 2.86Å
485F28.1Very low30Very low183 Ų183147.7 Ų147.780%0.80375%0.752SS**  trans-128.664.3176.8-97.9-91.6000110.9Q487F485-Q487 PolarHBondContact O-N 3.23Å
486L28.7Very low29.8Very low162 Ų162147.1 Ų147.185%0.84876%0.762SS**  trans-77.694.5157.5-87.7154.4000107.6
487Q27.3Very low29.5Very low177 Ų177146.1 Ų146.183%0.82776%0.761SS**  trans173.3132.2142.9-95.1145.96.700110.6F485F485-Q487 PolarHBondContact O-N 3.23Å
488S26.2Very low29.2Very low110 Ų110149.3 Ų149.377%0.76977%0.768SS**  trans62.4100.1165.174.20000118
489E30.9Very low29Very low187 Ų187146.3 Ų146.387%0.87477%0.774SS**  175.7125.599.4-92.6-179.9170.800109.8
490N24.5Very low28.7Very low165 Ų165151.1 Ų151.188%0.88279%0.793SS**  trans-79.9118.1-178.7-62.2-45.9000110.1
491V33.2Very low28.4Very low134 Ų134148.5 Ų148.581%0.81279%0.793SS**  trans-149.6129.5147.3-173.10000108.6
492E26.5Very low28Very low184 Ų184146.9 Ų146.986%0.8679%0.793SS**  trans-64.1127.8-160.8-66.6150.3164.600114.7
493H26.8Very low27.8Very low177 Ų177149.7 Ų149.782%0.81981%0.81SS**  trans-112.889.9169.5-87-47.3000109.8S495H493-S495 VanDerWaalsContact C-N 3.3Å; H493-S495 PolarHBondContact O-N 3.26Å
494D26Very low27.5Very low144 Ų144146.1 Ų146.177%0.7781%0.806SS**  trans-80.180.6167.9-90.63.6000110.6
495S26.4Very low27.2Very low104 Ų104145.2 Ų145.273%0.72781%0.811SS**  trans-143.473.5164750000111.4H493H493-S495 VanDerWaalsContact C-N 3.3Å; H493-S495 PolarHBondContact O-N 3.26Å
496A29.5Very low27.1Very low94 Ų94141.1 Ų141.178%0.77781%0.805SS**  trans-165.9115.5157.600000109.7
497I26.3Very low27Very low139 Ų139141.8 Ų141.871%0.71380%0.804SS**  -152.9107.1120.9-60-161.3000106.2
498Y24.3Very low27Very low215 Ų215142 Ų14284%0.84381%0.807SS**  169.486128.3-92-66.1000109.5
499S24.5Very low27Very low110 Ų110141.2 Ų141.277%0.76980%0.802SS**  trans-165143.6151.2370000108.5
500L25.8Very low26.8Very low175 Ų175137.3 Ų137.392%0.91680%0.795SS**  trans88.4124-170.4-49.1172.8000111.5
501S27.1Very low26.9Very low108 Ų108137.7 Ų137.776%0.75580%0.795SS**  cis-163132.527.540.50000108.5
502S27.9Very low26.5Very low111 Ų111135.8 Ų135.878%0.77679%0.788SS**  69.5124103-166.90000114.8G504S502-G504 PolarHBondContact O-N 3.46Å
503L26Very low26.5Very low176 Ų176132.3 Ų132.392%0.92178%0.784SS**  trans-38.7134.9155.5-70.898000110.8
504G26.7Very low26.6Very low65 Ų65128.9 Ų128.967%0.6778%0.78SS**  trans-178.270.4-178.400000110.5S502 S506S502-G504 PolarHBondContact O-N 3.46Å; G504-S506 PolarHBondContact O-N 2.95Å; G504-S506 VanDerWaalsContact O-N 3.12Å
505S28Very low26.7Very low129 Ų129129.8 Ų129.890%0.90279%0.785SS**  trans-61.7106160.6174.40000108.3
506S27.5Very low26.9Very low97 Ų97129 Ų12968%0.67879%0.792SS**  trans-156.1102.9161.638.10000110.2G504 M508G504-S506 PolarHBondContact O-N 2.95Å; G504-S506 VanDerWaalsContact O-N 3.12Å; S506-M508 PolarHBondContact O-N 2.89Å; S506-M508 VanDerWaalsContact O-N 3.15Å
507H26.3Very low26.9Very low176 Ų176127.4 Ų127.482%0.81579%0.786SS**  trans-42.4115.9155.1-91.1-92.3000109.9
508M26.4Very low27.1Very low181 Ų181131.2 Ų131.289%0.89279%0.793SS**  trans-96.493.8155.1-89.7-99.3101.600106.7S506 S510S506-M508 PolarHBondContact O-N 2.89Å; S506-M508 VanDerWaalsContact O-N 3.15Å; M508-S510 PolarHBondContact O-N 3.35Å
509S26.7Very low27.3Very low95 Ų95132.5 Ų132.566%0.66480%0.796SS**  trans-58.3125.6168.2-340000109.1I511S509-I511 PolarHBondContact O-N 2.79Å
510S27Very low27.5Very low105 Ų105130.4 Ų130.473%0.73479%0.792SS**  trans-47.1129.2153.445.70000110.2M508 S512M508-S510 PolarHBondContact O-N 3.35Å; S510-S512 PolarHBondContact O-N 2.94Å; S510-S512 VanDerWaalsContact O-N 3.12Å
511I25.7Very low27.8Very low172 Ų172128.4 Ų128.488%0.88279%0.787SS**SBendtrans-50.1110.1165.3-66.1160.6000108.8S509S509-I511 PolarHBondContact O-N 2.79Å
512S25.6Very low27.8Very low95 Ų95129.2 Ų129.266%0.66479%0.787SS**  trans176.6121.714137.40000111.4S510S510-S512 PolarHBondContact O-N 2.94Å; S510-S512 VanDerWaalsContact O-N 3.12Å
513S26.9Very low27.8Very low111 Ų111128.3 Ų128.378%0.77678%0.78SS**  trans75.3104.4143.2-46.40000120.2
514S28.2Very low28Very low104 Ų104127.2 Ų127.273%0.72778%0.775SS**  trans72.1116.8131.762.30000122.1
515N28.4Very low28.2Very low164 Ų164130.6 Ų130.688%0.87778%0.777SS**  trans78116.4131.4-74.9-8.5000122.3
516G30.8Very low28Very low86 Ų86132 Ų13289%0.88778%0.775SS**  trans79.4130138.400000115.3
517G27.8Very low28.2Very low62 Ų62131.3 Ų131.364%0.63978%0.782SS**  cis135.7148.924.400000107.9
518Y31.5Very low28.4Very low219 Ų219126.8 Ų126.886%0.85978%0.783SS**  trans93.2102.4170.1-62.3-85.6000117.5
519R27.8Very low28.4Very low241 Ų241124.9 Ų124.991%0.90978%0.782SS**  74.3112.277.7-106.4-177.3-178.6-159.42112
520G30Very low28.5Very low67 Ų67126.7 Ų126.769%0.69179%0.788SS**  132.315879.600000106.4
521V31.7Very low28.4Very low132 Ų132128.9 Ų128.980%0.879%0.791SS**  cis-174.6123.235.2168.90000104.7
522V26.8Very low28.4Very low125 Ų125126 Ų12676%0.75878%0.784SS**  53.7139.4106179.90000114.5
523S28Very low28.5Very low92 Ų92127.9 Ų127.964%0.64380%0.795SS**  cis174.3173.3-12.4-76.20000106.6
524L30.2Very low28.3Very low154 Ų154129.2 Ų129.281%0.80679%0.794SS**  trans89.1142.3158.2-54.5140.3000116.4
525L29.9Very low28.2Very low136 Ų136128.9 Ų128.971%0.71279%0.791SS**  cis-172.5146.5-16.7-111.5175.8000105.4
526D25.8Very low28Very low159 Ų159126.2 Ų126.285%0.8578%0.781SS**  trans44.7125151.3-75.8-20.9000123.2
527G29.9Very low27.8Very low81 Ų81130.5 Ų130.584%0.83578%0.778SS**  trans152.6108.7144.800000115.5
528G30.5Very low27.8Very low82 Ų82137 Ų13785%0.84579%0.792SS**  trans110.696.5149.500000117V530G528-V530 PolarHBondContact O-N 3.12Å
529V26.5Very low27.5Very low141 Ų141131 Ų13186%0.85578%0.782SS**  trans-65.6116171.4173.10000111.3
530V29.8Very low27.3Very low133 Ų133127.9 Ų127.981%0.80678%0.78SS**  trans-156.3111137-178.40000109.4G528G528-V530 PolarHBondContact O-N 3.12Å
531L25.7Very low27.3Very low150 Ų150131.4 Ų131.479%0.78578%0.781SS**  trans-11.8125.9168.3-63.2158.5000119.7
532P25Very low26.9Very low113 Ų113133.3 Ų133.373%0.73478%0.783SS**  trans-112118.7141.731.6-18.2000109.8D534P532-D534 PolarHBondContact O-N 3.15Å
533C27.5Very low26.8Very low134 Ų134135.7 Ų135.791%0.90579%0.792SS**  trans-78.288.7169.6-84.20000109.5
534D22.5Very low26.7Very low139 Ų139135.4 Ų135.474%0.74379%0.79SS**  trans-98.2133.5161.2-112.1-23.8000109.3P532P532-D534 PolarHBondContact O-N 3.15Å
535S25.8Very low26.5Very low97 Ų97133.6 Ų133.668%0.67879%0.787SS**SBendtrans67.8145.1146.162.10000120.5
536T25.4Very low26.6Very low108 Ų108131.8 Ų131.866%0.66379%0.786SS**  trans79.169.6160.359.80000119.8
537E26.3Very low27.8Very low176 Ų176135.2 Ų135.282%0.82279%0.787SS**SBendtrans-129.733.2158-79.7-163.8164.100114.1
538Q27.6Very low29.3Very low199 Ų199135.8 Ų135.893%0.9378%0.775SS**SBendtrans-119.812.8161.2-81.7-173.5-8.600113.9
539S24.6Very low31.5Very low92 Ų92133.1 Ų133.164%0.64374%0.742SS**SBendtrans-135.646.1169.665.10000111.4
540M24.1Very low34.2Very low176 Ų176129.8 Ų129.887%0.86772%0.719SS**  trans-171.850.6166.7-109.1175.8-168.500110.9M542M540-M542 PolarHBondContact O-N 2.71Å
541I29.6Very low36.8Very low141 Ų141124.2 Ų124.272%0.72369%0.686SS**  trans-89.197.2155.4-61.1179.1000105.9N543I541-N543 PolarHBondContact O-N 3.46Å
542M24.1Very low39.8Very low171 Ų171117.1 Ų117.184%0.84265%0.649SS**  trans-39.6130.7162.8-80.3-170140.300110.6M540 S544M540-M542 PolarHBondContact O-N 2.71Å; M542-S544 PolarHBondContact O-N 3.09Å
543N24.7Very low42.5Very low175 Ų175115 Ų11594%0.93663%0.626SS**  trans-6.787.9150.9-68.4-26.4000114.1I541I541-N543 PolarHBondContact O-N 3.46Å
544S24.5Very low45.3Very low87 Ų87110.1 Ų110.161%0.60859%0.592SS**  trans-101.7130.3161.835.40000106.7M542 S546M542-S544 PolarHBondContact O-N 3.09Å; S544-S546 PolarHBondContact O-N 3.46Å
545P27.8Very low48.2Very low115 Ų115104.6 Ų104.675%0.74756%0.562SS**  trans-60.7131.9-174.627.6-32.6000107.7R547P545-R547 PolarHBondContact O-N 3.33Å
546S31.6Very low51.1Low99 Ų99100 Ų10069%0.69253%0.53SS*.  trans-28.297.3174.849.40000112.9S544 T548S544-S546 PolarHBondContact O-N 3.46Å; S546-T548 PolarHBondContact O-N 3.33Å
547R49.5Very low53.9Low230 Ų23098.2 Ų98.287%0.86851%0.514SS*.  trans-66101170.6-90.2-172.1177.8-172.70.7107.8P545 V549P545-R547 PolarHBondContact O-N 3.33Å; R547-V549 PolarHBondContact O-N 2.88Å
548T62.8Low56.7Low94 Ų9493.8 Ų93.858%0.57749%0.494SS*.  trans-64113.1167.9500000108.3S546 N550S546-T548 PolarHBondContact O-N 3.33Å; T548-N550 PolarHBondContact O-N 2.66Å
549V76.2Confident59.3Low26 Ų2684.6 Ų84.616%0.15845%0.451CS..PPolyproline II helixtrans-69.4119.6174.3-176.30000107.7P468 H470 R547 E576 A577P468-V549 HydrophobicContact CB-CB 4.26Å; P468-V549 HydrophobicContact CG-CB 3.97Å; P468-V549 HydrophobicContact CG-CG1 3.78Å; H470-V549 PolarHBondContact CE1-O 3.13Å; R547-V549 PolarHBondContact O-N 2.88Å; V549-E576 HydrophobicContact CG2-CB 3.94Å; V549-A577 HydrophobicContact CG1-CB 4.23Å
550N82.2Confident62Low70 Ų7082.6 Ų82.637%0.37443%0.433SS..PPolyproline II helixtrans-69.7146.3178.3-73.5-21000110.5T548 I555 W573T548-N550 PolarHBondContact O-N 2.66Å; N550-I555 HydrophobicContact CB-CD1 4.23Å; N550-I555 HydrophobicContact CB-CG1 3.93Å; N550-W573 PolarHBondContact O-NE1 3.22Å
551P86.1Confident64.8Low17 Ų1782.1 Ų82.111%0.1143%0.426CS..PPolyproline II helixtrans-55.8142.1171.6-21.531.7000111.5T467 W553 V554 I555T467-P551 HydrophobicContact CG2-CB 4.49Å; T467-P551 HydrophobicContact CG2-CG 4.11Å; P551-W553 HydrophobicContact CB-CG 4.37Å; P551-W553 VanDerWaalsContact CB-NE1 3.29Å; P551-W553 PolarHBondContact O-N 3.42Å; P551-W553 VanDerWaalsContact O-N 3.16Å; P551-V554 HydrophobicContact CB-CG2 4.08Å; P551-V554 HydrophobicContact CG-CG2 4.1Å; P551-V554 WeakPolarHBondContact O-CB 3.27Å; P551-V554 PolarHBondContact O-N 3.21Å; P551-I555 PolarHBondContact O-N 2.92Å
552L87Confident66.8Low1 Ų180 Ų801%0.00542%0.416CS..Hα-helixtrans-58.9-35.9-174.6-174.263.3000112.4L466 V554 I555 L556 F568 L570 W573 V588 W610L466-L552 HydrophobicContact CB-CB 4.15Å; L466-L552 HydrophobicContact CD1-CD2 4.2Å; L466-L552 HydrophobicContact CD2-CD2 3.95Å; L466-L552 PolarHBondContact O-N 3.04Å; L552-V554 VanDerWaalsContact C-N 3.31Å; L552-V554 PolarHBondContact O-N 3.45Å; L552-I555 PolarHBondContact O-N 2.94Å; L552-L556 PolarHBondContact O-N 3.06Å; L552-F568 HydrophobicContact CD1-CE1 3.47Å; L552-F568 VanDerWaalsContact CD1-CE1 3.47Å; L552-F568 HydrophobicContact CD1-CZ 3.46Å; L552-F568 VanDerWaalsContact CD1-CZ 3.46Å; L552-L570 HydrophobicContact CD1-CD1 4.03Å; L552-L570 HydrophobicContact CD2-CD1 3.67Å; L552-W573 HydrophobicContact CB-CD2 4.38Å; L552-W573 HydrophobicContact CB-CH2 3.8Å; L552-W573 HydrophobicContact CB-CZ2 3.59Å; L552-W573 HydrophobicContact CB-CZ3 4.26Å; L552-W573 HydrophobicContact CD1-CD2 4.04Å; L552-W573 HydrophobicContact CD1-CE3 4.31Å; L552-W573 HydrophobicContact CD1-CG 4.33Å; L552-W573 HydrophobicContact CD2-CE3 4.46Å; L552-W573 HydrophobicContact CD2-CZ3 4.28Å; L552-V588 HydrophobicContact CD2-CG2 3.5Å; L552-W610 HydrophobicContact CD1-CE3 4.3Å; L552-W610 HydrophobicContact CD1-CZ3 3.94Å; L552-W610 HydrophobicContact CG-CZ3 4.46Å
553W82.7Confident69Low68 Ų6878.6 Ų78.626%0.25841%0.412SS..Hα-helixtrans-68.9-28.2179.464.4-93.1000112.8K463 P551 L556 E557K463-W553 HydrophobicContact CB-CG 4.42Å; K463-W553 HydrophobicContact CD-CD2 4.18Å; K463-W553 HydrophobicContact CD-CG 4.13Å; K463-W553 HydrophobicContact CG-CB 4.18Å; K463-W553 HydrophobicContact CG-CD2 4.45Å; K463-W553 HydrophobicContact CG-CG 3.91Å; P551-W553 HydrophobicContact CB-CG 4.37Å; P551-W553 VanDerWaalsContact CB-NE1 3.29Å; P551-W553 PolarHBondContact O-N 3.42Å; P551-W553 VanDerWaalsContact O-N 3.16Å; W553-L556 WeakPolarHBondContact O-CB 3.01Å; W553-L556 PolarHBondContact O-N 3.4Å; W553-E557 WeakPolarHBondContact O-CG 3.43Å; W553-E557 PolarHBondContact O-N 3.07Å
554V85.8Confident70.7Confident32 Ų3276.8 Ų76.819%0.19440%0.402CS..Hα-helixtrans-71.4-42.1172.2177.50000110.1P551 L552 L556 E557 Q558P551-V554 HydrophobicContact CB-CG2 4.08Å; P551-V554 HydrophobicContact CG-CG2 4.1Å; P551-V554 WeakPolarHBondContact O-CB 3.27Å; P551-V554 PolarHBondContact O-N 3.21Å; L552-V554 VanDerWaalsContact C-N 3.31Å; L552-V554 PolarHBondContact O-N 3.45Å; V554-L556 VanDerWaalsContact C-N 3.27Å; V554-L556 PolarHBondContact O-N 3.37Å; V554-E557 PolarHBondContact O-N 3.04Å; V554-Q558 WeakPolarHBondContact O-CG 3.28Å; V554-Q558 PolarHBondContact O-N 3Å
555I84.5Confident72.4Confident22 Ų2275.8 Ų75.811%0.11339%0.39CS..Hα-helixtrans-62.3-38.6174.9-59.4173.1000110.1N550 P551 L552 Q558 S559 F568 W610N550-I555 HydrophobicContact CB-CD1 4.23Å; N550-I555 HydrophobicContact CB-CG1 3.93Å; P551-I555 PolarHBondContact O-N 2.92Å; L552-I555 PolarHBondContact O-N 2.94Å; I555-Q558 PolarHBondContact O-N 3.25Å; I555-S559 VanDerWaalsContact O-CB 3.25Å; I555-S559 WeakPolarHBondContact O-CB 3.46Å; I555-S559 PolarHBondContact O-N 3.48Å; I555-S559 PolarHBondContact O-OG 3.14Å; I555-F568 HydrophobicContact CD1-CE2 3.99Å; I555-F568 HydrophobicContact CD1-CZ 4.27Å; I555-F568 HydrophobicContact CG2-CD2 4.02Å; I555-F568 HydrophobicContact CG2-CE2 3.83Å; I555-F568 HydrophobicContact CG2-CZ 4.35Å; I555-W610 HydrophobicContact CG2-CH2 4.14Å
556L85.4Confident73.9Confident1 Ų179.2 Ų79.21%0.00539%0.388CS..Hα-helixtrans-60.3-50.8174.1-176.172.2000111.7L552 W553 V554 Q558 S559 I560 Y595 H603 L606 L607 W610L552-L556 PolarHBondContact O-N 3.06Å; W553-L556 WeakPolarHBondContact O-CB 3.01Å; W553-L556 PolarHBondContact O-N 3.4Å; V554-L556 VanDerWaalsContact C-N 3.27Å; V554-L556 PolarHBondContact O-N 3.37Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.38Å; L556-S559 PolarHBondContact O-N 3.29Å; L556-I560 HydrophobicContact CD1-CD1 4.25Å; L556-I560 HydrophobicContact CG-CD1 4.03Å; L556-I560 WeakPolarHBondContact O-CG1 3.36Å; L556-I560 PolarHBondContact O-N 2.99Å; L556-Y595 HydrophobicContact CD2-CD2 4.34Å; L556-Y595 HydrophobicContact CD2-CE2 3.69Å; L556-H603 HydrophobicContact CD2-CB 4.27Å; L556-L606 HydrophobicContact CD1-CB 4.19Å; L556-L606 HydrophobicContact CD1-CD2 3.77Å; L556-L606 HydrophobicContact CD1-CG 4.04Å; L556-L607 HydrophobicContact CD1-CD2 3.8Å; L556-L607 HydrophobicContact CD1-CG 3.84Å; L556-L607 HydrophobicContact CD2-CD1 3.95Å; L556-L607 HydrophobicContact CD2-CD2 3.99Å; L556-L607 HydrophobicContact CD2-CG 3.87Å; L556-L607 HydrophobicContact CG-CD2 4.41Å; L556-W610 HydrophobicContact CB-CH2 4.2Å; L556-W610 HydrophobicContact CB-CZ3 4.14Å; L556-W610 HydrophobicContact CD1-CE3 4.43Å; L556-W610 HydrophobicContact CD1-CH2 3.92Å; L556-W610 HydrophobicContact CD1-CZ3 3.81Å
557E85.3Confident75.4Confident70 Ų7082.1 Ų82.133%0.32740%0.396SS..Hα-helixtrans-61.6-39.3178.9-74.8177.6-165.600112.5W553 V554 K561W553-E557 WeakPolarHBondContact O-CG 3.43Å; W553-E557 PolarHBondContact O-N 3.07Å; V554-E557 PolarHBondContact O-N 3.04Å; E557-K561 WeakPolarHBondContact O-CG 3.33Å; E557-K561 PolarHBondContact O-N 3.19Å
558Q84.1Confident76.8Confident84 Ų8472.7 Ų72.739%0.39336%0.362SS..Hα-helixtrans-65.7-44.4174-73.3174.2-14.100111.6V554 I555 L556 I560 K561 D562V554-Q558 WeakPolarHBondContact O-CG 3.28Å; V554-Q558 PolarHBondContact O-N 3Å; I555-Q558 PolarHBondContact O-N 3.25Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; L556-Q558 PolarHBondContact O-N 3.38Å; Q558-I560 VanDerWaalsContact C-N 3.26Å; Q558-I560 PolarHBondContact O-N 3.23Å; Q558-K561 PolarHBondContact O-N 3.32Å; Q558-K561 VanDerWaalsContact O-N 3.09Å; Q558-D562 WeakPolarHBondContact O-CB 3.47Å; Q558-D562 PolarHBondContact O-N 3.33Å
559S83.2Confident77.7Confident5 Ų569.7 Ų69.74%0.03534%0.344CS..Hα-helixtrans-62.9-33.3-178.9-59.90000112.8I555 L556 N563 N565I555-S559 VanDerWaalsContact O-CB 3.25Å; I555-S559 WeakPolarHBondContact O-CB 3.46Å; I555-S559 PolarHBondContact O-N 3.48Å; I555-S559 PolarHBondContact O-OG 3.14Å; L556-S559 PolarHBondContact O-N 3.29Å; S559-N563 PolarHBondContact O-N 2.9Å; S559-N563 VanDerWaalsContact O-N 3.11Å; S559-N565 WeakPolarHBondContact OG-CB 3.18Å; S559-N565 PolarHBondContact OG-ND2 2.9Å; S559-N565 VanDerWaalsContact OG-ND2 3.08Å
560I81.7Confident78.1Confident50 Ų5068.5 Ų68.526%0.25634%0.337SS..Hα-helixtrans-75-34.5176.1-66.3168.1000111.4L556 Q558 H603 L606L556-I560 HydrophobicContact CD1-CD1 4.25Å; L556-I560 HydrophobicContact CG-CD1 4.03Å; L556-I560 WeakPolarHBondContact O-CG1 3.36Å; L556-I560 PolarHBondContact O-N 2.99Å; Q558-I560 VanDerWaalsContact C-N 3.26Å; Q558-I560 PolarHBondContact O-N 3.23Å; I560-H603 HydrophobicContact CD1-CB 4Å; I560-H603 WeakPolarHBondContact CD1-CD2 3.3Å; I560-H603 WeakPolarHBondContact CD1-NE2 3.36Å; I560-L606 HydrophobicContact CD1-CD2 4.48Å; I560-L606 HydrophobicContact CG1-CD2 3.79Å
561K82.4Confident78.2Confident166 Ų16667.4 Ų67.472%0.72233%0.333SS*.Hα-helixtrans-70.6-43.1175-73.4172-177.8172.60112.3E557 Q558E557-K561 WeakPolarHBondContact O-CG 3.33Å; E557-K561 PolarHBondContact O-N 3.19Å; Q558-K561 PolarHBondContact O-N 3.32Å; Q558-K561 VanDerWaalsContact O-N 3.09Å
562D72.1Confident78Confident98 Ų9869.8 Ų69.852%0.52435%0.347SS..Hα-helixtrans-86.6-12.1-173-62.7-20.9000113Q558 N564Q558-D562 WeakPolarHBondContact O-CB 3.47Å; Q558-D562 PolarHBondContact O-N 3.33Å; D562-N564 HydrophobicContact CB-CB 4.43Å; D562-N564 VanDerWaalsContact O-CB 3.29Å; D562-N564 WeakPolarHBondContact O-CB 3.33Å; D562-N564 PolarHBondContact O-N 3.39Å; D562-N564 PolarHBondContact O-ND2 3.32Å
563N68.4Low78.1Confident140 Ų14070 Ų7075%0.74935%0.348SS*.SBendtrans53.216.3-178-143.615.1000114.7S559S559-N563 PolarHBondContact O-N 2.9Å; S559-N563 VanDerWaalsContact O-N 3.11Å
564N60.5Low78.2Confident137 Ų13766.9 Ų66.973%0.73334%0.337SS*.  trans-122.82.4-161.2-87-20.4000115.8D562D562-N564 HydrophobicContact CB-CB 4.43Å; D562-N564 VanDerWaalsContact O-CB 3.29Å; D562-N564 WeakPolarHBondContact O-CB 3.33Å; D562-N564 PolarHBondContact O-N 3.39Å; D562-N564 PolarHBondContact O-ND2 3.32Å
565N60.1Low78Confident66 Ų6669.3 Ų69.335%0.35336%0.355SS..  trans-106.345.8-172.9-97.3-5.7000114.7S559 N567S559-N565 WeakPolarHBondContact OG-CB 3.18Å; S559-N565 PolarHBondContact OG-ND2 2.9Å; S559-N565 VanDerWaalsContact OG-ND2 3.08Å; N565-N567 PolarHBondContact O-N 3.27Å
566R60.4Low77.9Confident187 Ų18773.6 Ų73.671%0.70638%0.375SS*.THydrogen-bonded Turntrans-67.7-15.7169.8-70.5-170.5-177.5-178.90113.6
567N63.8Low77.8Confident161 Ų16174 Ų7486%0.86138%0.378SS*.THydrogen-bonded Turntrans-97.116.7-178.4-69.7-11.8000114.3N565 S569N565-N567 PolarHBondContact O-N 3.27Å; N567-S569 PolarHBondContact O-N 3.47Å
568F77.1Confident77.6Confident32 Ų3280.7 Ų80.714%0.1440%0.4CS..  trans-73.3120.9177.9-179.7-98.5000111.2L552 I555 L570 W573 W610L552-F568 HydrophobicContact CD1-CE1 3.47Å; L552-F568 VanDerWaalsContact CD1-CE1 3.47Å; L552-F568 HydrophobicContact CD1-CZ 3.46Å; L552-F568 VanDerWaalsContact CD1-CZ 3.46Å; I555-F568 HydrophobicContact CD1-CE2 3.99Å; I555-F568 HydrophobicContact CD1-CZ 4.27Å; I555-F568 HydrophobicContact CG2-CD2 4.02Å; I555-F568 HydrophobicContact CG2-CE2 3.83Å; I555-F568 HydrophobicContact CG2-CZ 4.35Å; F568-L570 HydrophobicContact CE1-CB 4.44Å; F568-L570 HydrophobicContact CE1-CD1 4.15Å; F568-W573 HydrophobicContact CE1-CB 4.17Å; F568-W573 HydrophobicContact CE2-CB 3.98Å; F568-W573 HydrophobicContact CE2-CG 4.31Å; F568-W573 HydrophobicContact CZ-CB 3.37Å; F568-W573 AromaticContact CZ-CD1 3.88Å; F568-W573 HydrophobicContact CZ-CD2 4.49Å; F568-W573 AromaticContact CZ-CG 3.61Å; F568-W573 HydrophobicContact CZ-CG 3.61Å; F568-W610 HydrophobicContact CB-CZ2 4.03Å; F568-W610 AromaticContact CD1-CD2 3.63Å; F568-W610 HydrophobicContact CD1-CD2 3.63Å; F568-W610 AromaticContact CD1-CE2 3.78Å; F568-W610 AromaticContact CD1-CE3 3.8Å; F568-W610 HydrophobicContact CD1-CE3 3.8Å; F568-W610 HydrophobicContact CD1-CG 4.06Å; F568-W610 HydrophobicContact CD1-CH2 4.23Å; F568-W610 HydrophobicContact CD1-CZ2 4.09Å; F568-W610 HydrophobicContact CD1-CZ3 4.1Å; F568-W610 HydrophobicContact CE1-CD2 4.29Å; F568-W610 HydrophobicContact CE1-CE3 4Å; F568-W610 HydrophobicContact CE1-CZ3 4.17Å; F568-W610 HydrophobicContact CG-CD2 4.41Å; F568-W610 HydrophobicContact CG-CH2 4.48Å; F568-W610 HydrophobicContact CG-CZ2 4.15Å
569S81.8Confident77.6Confident31 Ų3177.2 Ų77.222%0.21738%0.384CS..  trans-91.8114172.1-179.10000110.4N567 V571 T572 W573N567-S569 PolarHBondContact O-N 3.47Å; S569-V571 PolarHBondContact O-N 3.47Å; S569-V571 PolarHBondContact OG-N 3.04Å; S569-T572 WeakPolarHBondContact CB-OG1 3.33Å; S569-T572 PolarHBondContact O-N 3.32Å; S569-T572 PolarHBondContact O-OG1 3.1Å; S569-T572 PolarHBondContact OG-N 2.82Å; S569-W573 PolarHBondContact O-N 2.97Å
570L85.3Confident77.5Confident0 Ų080.5 Ų80.50%040%0.399CS..Hα-helixtrans-63.7-29.1174.9-172.964.3000111.8L552 F568 W573 A574 V584 V588 A614L552-L570 HydrophobicContact CD1-CD1 4.03Å; L552-L570 HydrophobicContact CD2-CD1 3.67Å; F568-L570 HydrophobicContact CE1-CB 4.44Å; F568-L570 HydrophobicContact CE1-CD1 4.15Å; L570-W573 HydrophobicContact CD1-CE3 4.29Å; L570-A574 VanDerWaalsContact O-CB 3.3Å; L570-A574 WeakPolarHBondContact O-CB 3.41Å; L570-A574 PolarHBondContact O-N 3.39Å; L570-V584 HydrophobicContact CD1-CG1 3.66Å; L570-V584 HydrophobicContact CD2-CG1 4.05Å; L570-V584 HydrophobicContact CG-CG1 3.83Å; L570-V588 HydrophobicContact CD1-CG2 4.16Å; L570-V588 HydrophobicContact CD2-CG2 4.18Å; L570-A614 HydrophobicContact CB-CB 4Å; L570-A614 HydrophobicContact CD2-CB 4.15Å
571V83.9Confident77.7Confident47 Ų4779.9 Ų79.929%0.28540%0.396SS..Hα-helixtrans-68.6-44.5179.2-177.40000110.8S569 A574 S575 L581 A614S569-V571 PolarHBondContact O-N 3.47Å; S569-V571 PolarHBondContact OG-N 3.04Å; V571-A574 PolarHBondContact O-N 3.08Å; V571-S575 PolarHBondContact O-N 3.39Å; V571-L581 HydrophobicContact CG2-CD1 4.29Å; V571-L581 HydrophobicContact CG2-CD2 4.35Å; V571-A614 HydrophobicContact CG2-CB 3.96Å
572T82.6Confident77.7Confident68 Ų6875.5 Ų75.542%0.41739%0.386SS..Hα-helixtrans-66-44.3177.160.70000110.6S569 A574 S575 E576S569-T572 WeakPolarHBondContact CB-OG1 3.33Å; S569-T572 PolarHBondContact O-N 3.32Å; S569-T572 PolarHBondContact O-OG1 3.1Å; S569-T572 PolarHBondContact OG-N 2.82Å; T572-A574 PolarHBondContact O-N 3.49Å; T572-S575 PolarHBondContact O-N 2.91Å; T572-S575 VanDerWaalsContact O-N 3.16Å; T572-S575 PolarHBondContact O-OG 3.05Å; T572-E576 WeakPolarHBondContact O-CG 3.28Å; T572-E576 PolarHBondContact O-N 3.45Å
573W88Confident78.3Confident5 Ų571 Ų712%0.01936%0.362CS..Hα-helixtrans-59.8-43.7175.5178.887.6000112.4L466 P468 N550 L552 F568 S569 L570 S575 E576 A577 I579 V584L466-W573 HydrophobicContact CB-CH2 4.36Å; L466-W573 HydrophobicContact CD2-CH2 4.2Å; L466-W573 HydrophobicContact CD2-CZ3 4.22Å; L466-W573 WeakPolarHBondContact O-CH2 3.41Å; L466-W573 WeakPolarHBondContact O-CZ2 3.44Å; P468-W573 HydrophobicContact CG-CZ2 4.05Å; N550-W573 PolarHBondContact O-NE1 3.22Å; L552-W573 HydrophobicContact CB-CD2 4.38Å; L552-W573 HydrophobicContact CB-CH2 3.8Å; L552-W573 HydrophobicContact CB-CZ2 3.59Å; L552-W573 HydrophobicContact CB-CZ3 4.26Å; L552-W573 HydrophobicContact CD1-CD2 4.04Å; L552-W573 HydrophobicContact CD1-CE3 4.31Å; L552-W573 HydrophobicContact CD1-CG 4.33Å; L552-W573 HydrophobicContact CD2-CE3 4.46Å; L552-W573 HydrophobicContact CD2-CZ3 4.28Å; F568-W573 HydrophobicContact CE1-CB 4.17Å; F568-W573 HydrophobicContact CE2-CB 3.98Å; F568-W573 HydrophobicContact CE2-CG 4.31Å; F568-W573 HydrophobicContact CZ-CB 3.37Å; F568-W573 AromaticContact CZ-CD1 3.88Å; F568-W573 HydrophobicContact CZ-CD2 4.49Å; F568-W573 AromaticContact CZ-CG 3.61Å; F568-W573 HydrophobicContact CZ-CG 3.61Å; S569-W573 PolarHBondContact O-N 2.97Å; L570-W573 HydrophobicContact CD1-CE3 4.29Å; W573-S575 VanDerWaalsContact C-N 3.29Å; W573-S575 PolarHBondContact O-N 3.37Å; W573-E576 PolarHBondContact O-N 2.94Å; W573-A577 HydrophobicContact CD2-CB 4.35Å; W573-A577 HydrophobicContact CE3-CB 4.48Å; W573-A577 HydrophobicContact CH2-CB 4.2Å; W573-A577 HydrophobicContact CZ2-CB 4.06Å; W573-A577 HydrophobicContact CZ3-CB 4.42Å; W573-A577 WeakPolarHBondContact O-CB 3.35Å; W573-A577 PolarHBondContact O-N 3.01Å; W573-I579 HydrophobicContact CH2-CD1 3.93Å; W573-I579 HydrophobicContact CZ3-CD1 4.37Å; W573-V584 HydrophobicContact CE3-CG1 4.32Å; W573-V584 HydrophobicContact CZ3-CG1 3.99Å; W573-V584 HydrophobicContact CZ3-CG2 3.97Å
574A85.1Confident79.2Confident3 Ų364.4 Ų64.43%0.02533%0.327CS..Hα-helixtrans-60.7-40.1177.200000111.7L570 V571 T572 R578 I579 L581 V584L570-A574 VanDerWaalsContact O-CB 3.3Å; L570-A574 WeakPolarHBondContact O-CB 3.41Å; L570-A574 PolarHBondContact O-N 3.39Å; V571-A574 PolarHBondContact O-N 3.08Å; T572-A574 PolarHBondContact O-N 3.49Å; A574-R578 PolarHBondContact O-N 2.86Å; A574-R578 VanDerWaalsContact O-N 3.08Å; A574-I579 PolarHBondContact O-N 3.12Å; A574-L581 HydrophobicContact CB-CD1 3.94Å; A574-V584 HydrophobicContact CB-CB 4.49Å; A574-V584 HydrophobicContact CB-CG2 3.93Å
575S83.2Confident80.5Confident82 Ų8259.3 Ų59.357%0.57330%0.298SS*.Hα-helixtrans-67.2-41.8176.875.70000112.8V571 T572 W573 R578V571-S575 PolarHBondContact O-N 3.39Å; T572-S575 PolarHBondContact O-N 2.91Å; T572-S575 VanDerWaalsContact O-N 3.16Å; T572-S575 PolarHBondContact O-OG 3.05Å; W573-S575 VanDerWaalsContact C-N 3.29Å; W573-S575 PolarHBondContact O-N 3.37Å; S575-R578 PolarHBondContact O-N 3.42Å
576E81.8Confident81.8Confident113 Ų11357.6 Ų57.653%0.52829%0.292SS..Hα-helixtrans-69.4-40.6177.3-71.5178.9-170.700111.6V549 T572 W573 R578V549-E576 HydrophobicContact CG2-CB 3.94Å; T572-E576 WeakPolarHBondContact O-CG 3.28Å; T572-E576 PolarHBondContact O-N 3.45Å; W573-E576 PolarHBondContact O-N 2.94Å; E576-R578 PolarHBondContact O-N 3.41Å
577A82.3Confident83.1Confident8 Ų848.7 Ų48.77%0.06626%0.258CS..THydrogen-bonded Turntrans-71.3-11.3175.800000113.2P468 V549 W573 I579P468-A577 HydrophobicContact CB-CB 4.21Å; P468-A577 HydrophobicContact CG-CB 3.88Å; V549-A577 HydrophobicContact CG1-CB 4.23Å; W573-A577 HydrophobicContact CD2-CB 4.35Å; W573-A577 HydrophobicContact CE3-CB 4.48Å; W573-A577 HydrophobicContact CH2-CB 4.2Å; W573-A577 HydrophobicContact CZ2-CB 4.06Å; W573-A577 HydrophobicContact CZ3-CB 4.42Å; W573-A577 WeakPolarHBondContact O-CB 3.35Å; W573-A577 PolarHBondContact O-N 3.01Å; A577-I579 VanDerWaalsContact C-N 3.32Å; A577-I579 HydrophobicContact CB-CD1 3.97Å; A577-I579 HydrophobicContact CB-CG1 3.9Å; A577-I579 PolarHBondContact O-N 3.1Å
578R81.7Confident84.4Confident211 Ų21141.1 Ų41.180%0.79622%0.218SC*.THydrogen-bonded Turntrans56.142-174.5-55.8-179179.2-172-1.5112.8A574 S575 E576A574-R578 PolarHBondContact O-N 2.86Å; A574-R578 VanDerWaalsContact O-N 3.08Å; S575-R578 PolarHBondContact O-N 3.42Å; E576-R578 PolarHBondContact O-N 3.41Å
579I83.7Confident85.1Confident11 Ų1144.9 Ų44.96%0.05623%0.231CC..  trans-111.6136178.1-52.6-179.2000109.1W573 A574 A577 L581 V583 V584W573-I579 HydrophobicContact CH2-CD1 3.93Å; W573-I579 HydrophobicContact CZ3-CD1 4.37Å; A574-I579 PolarHBondContact O-N 3.12Å; A577-I579 VanDerWaalsContact C-N 3.32Å; A577-I579 HydrophobicContact CB-CD1 3.97Å; A577-I579 HydrophobicContact CB-CG1 3.9Å; A577-I579 PolarHBondContact O-N 3.1Å; I579-L581 PolarHBondContact O-N 2.88Å; I579-V583 HydrophobicContact CG2-CB 4.47Å; I579-V584 HydrophobicContact CB-CG2 3.88Å; I579-V584 HydrophobicContact CG2-CG2 3.58Å
580E82.1Confident85.5Confident74 Ų7444.5 Ų44.535%0.34623%0.226SC..  trans-56.2127.2174.7-72.3179.4-160.400111.4P436 K440 S582 V583 V584P436-E580 WeakPolarHBondContact CB-OE1 3.44Å; K440-E580 WeakPolarHBondContact CE-OE2 3.41Å; K440-E580 IonicContact NZ-OE1 3.46Å; K440-E580 IonicContact NZ-OE2 2.9Å; K440-E580 PolarHBondContact NZ-OE2 3.11Å; E580-S582 PolarHBondContact O-N 3.43Å; E580-V583 HydrophobicContact CB-CB 4.45Å; E580-V583 HydrophobicContact CB-CG2 4Å; E580-V583 WeakPolarHBondContact O-CB 3.3Å; E580-V583 PolarHBondContact O-N 3.49Å; E580-V584 PolarHBondContact O-N 3.03Å; E580-V584 VanDerWaalsContact O-N 3.1Å
581L85.4Confident85.8Confident38 Ų3844.5 Ų44.520%0.19923%0.227CC..Hα-helixtrans-58.3-34-176.4-173.863.9000112.7V571 A574 I579 V583 V584 H585 Y618V571-L581 HydrophobicContact CG2-CD1 4.29Å; V571-L581 HydrophobicContact CG2-CD2 4.35Å; A574-L581 HydrophobicContact CB-CD1 3.94Å; I579-L581 PolarHBondContact O-N 2.88Å; L581-V583 VanDerWaalsContact C-N 3.34Å; L581-V583 PolarHBondContact O-N 3.33Å; L581-V584 PolarHBondContact O-N 2.82Å; L581-H585 WeakPolarHBondContact CD1-NE2 3.49Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 VanDerWaalsContact O-CG 3.3Å; L581-H585 PolarHBondContact O-N 2.86Å; L581-Y618 HydrophobicContact CD2-CD2 4.09Å; L581-Y618 HydrophobicContact CD2-CE2 4.26Å
582S82Confident86.1Confident74 Ų7442.4 Ų42.452%0.51721%0.214SC..Hα-helixtrans-60.7-41.9175.859.20000112.3E580 S586E580-S582 PolarHBondContact O-N 3.43Å; S582-S586 PolarHBondContact O-N 3.04Å
583V84.1Confident86.5Confident4 Ų441.4 Ų41.42%0.02421%0.206CC..Hα-helixtrans-68-44.3176.7-1780000110R439 K440 V465 I579 E580 L581 H585 S586 A587R439-V583 HydrophobicContact CB-CG1 4.01Å; K440-V583 HydrophobicContact CD-CG2 4.32Å; K440-V583 HydrophobicContact CG-CG2 3.59Å; V465-V583 HydrophobicContact CG1-CG1 3.77Å; I579-V583 HydrophobicContact CG2-CB 4.47Å; E580-V583 HydrophobicContact CB-CB 4.45Å; E580-V583 HydrophobicContact CB-CG2 4Å; E580-V583 WeakPolarHBondContact O-CB 3.3Å; E580-V583 PolarHBondContact O-N 3.49Å; L581-V583 VanDerWaalsContact C-N 3.34Å; L581-V583 PolarHBondContact O-N 3.33Å; V583-H585 PolarHBondContact O-N 3.38Å; V583-S586 PolarHBondContact O-N 3.31Å; V583-S586 PolarHBondContact O-OG 3.3Å; V583-A587 WeakPolarHBondContact O-CB 3.46Å; V583-A587 PolarHBondContact O-N 3.19Å
584V87.8Confident86.6Confident0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-59.2-48.7176.6179.30000110.8L466 L570 W573 A574 I579 E580 L581 S586 A587 V588L466-V584 HydrophobicContact CD2-CG1 4.27Å; L570-V584 HydrophobicContact CD1-CG1 3.66Å; L570-V584 HydrophobicContact CD2-CG1 4.05Å; L570-V584 HydrophobicContact CG-CG1 3.83Å; W573-V584 HydrophobicContact CE3-CG1 4.32Å; W573-V584 HydrophobicContact CZ3-CG1 3.99Å; W573-V584 HydrophobicContact CZ3-CG2 3.97Å; A574-V584 HydrophobicContact CB-CB 4.49Å; A574-V584 HydrophobicContact CB-CG2 3.93Å; I579-V584 HydrophobicContact CB-CG2 3.88Å; I579-V584 HydrophobicContact CG2-CG2 3.58Å; E580-V584 PolarHBondContact O-N 3.03Å; E580-V584 VanDerWaalsContact O-N 3.1Å; L581-V584 PolarHBondContact O-N 2.82Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 2.89Å; V584-A587 PolarHBondContact O-N 3.44Å; V584-V588 HydrophobicContact CG1-CG2 4.04Å; V584-V588 WeakPolarHBondContact O-CB 3.36Å; V584-V588 VanDerWaalsContact O-CG2 3.28Å; V584-V588 WeakPolarHBondContact O-CG2 3.41Å; V584-V588 PolarHBondContact O-N 3.13Å
585H88.4Confident86.9Confident30 Ų3041.3 Ų41.314%0.13921%0.205CC..Hα-helixtrans-57.2-44.8176.4-73.5175.3000112.2L581 V583 R589 L611L581-H585 WeakPolarHBondContact CD1-NE2 3.49Å; L581-H585 WeakPolarHBondContact O-CB 3.42Å; L581-H585 VanDerWaalsContact O-CG 3.3Å; L581-H585 PolarHBondContact O-N 2.86Å; V583-H585 PolarHBondContact O-N 3.38Å; H585-R589 VanDerWaalsContact O-CB 3.29Å; H585-R589 WeakPolarHBondContact O-CB 3.43Å; H585-R589 PolarHBondContact O-N 3Å; H585-R589 VanDerWaalsContact O-N 3.08Å; H585-L611 HydrophobicContact CB-CD1 4.13Å
586S86.1Confident87.3Confident31 Ų3142.4 Ų42.422%0.21720%0.201CC..Hα-helixtrans-63.2-44.8177.8770000112.1S443 S582 V583 V584 N590S443-S586 PolarHBondContact OG-OG 3.15Å; S582-S586 PolarHBondContact O-N 3.04Å; V583-S586 PolarHBondContact O-N 3.31Å; V583-S586 PolarHBondContact O-OG 3.3Å; V584-S586 VanDerWaalsContact C-N 3.33Å; V584-S586 PolarHBondContact O-N 2.89Å; S586-N590 WeakPolarHBondContact O-CB 3.39Å; S586-N590 PolarHBondContact O-N 3.13Å; S586-N590 PolarHBondContact O-ND2 3.27Å
587A89.7Confident87.7Confident0 Ų043.4 Ų43.40%020%0.2CC..Hα-helixtrans-71.5-41.9-176.100000111.8L462 V465 L466 V583 V584 N590 L591L462-A587 HydrophobicContact CD2-CB 3.97Å; V465-A587 HydrophobicContact CG1-CB 3.96Å; L466-A587 HydrophobicContact CD1-CB 4.28Å; L466-A587 HydrophobicContact CD2-CB 3.94Å; L466-A587 HydrophobicContact CG-CB 4.02Å; V583-A587 WeakPolarHBondContact O-CB 3.46Å; V583-A587 PolarHBondContact O-N 3.19Å; V584-A587 PolarHBondContact O-N 3.44Å; A587-N590 PolarHBondContact O-N 3.33Å; A587-L591 VanDerWaalsContact O-CB 3.26Å; A587-L591 WeakPolarHBondContact O-CB 3.38Å; A587-L591 PolarHBondContact O-N 2.95Å
588V90.9Very high88.1Confident1 Ų146.7 Ų46.71%0.00621%0.214CC..Hα-helixtrans-62.6-44.6175.3169.10000111L466 L552 L570 V584 N590 L591 A592 L607 L611L466-V588 HydrophobicContact CD1-CG2 4.39Å; L466-V588 HydrophobicContact CD2-CG2 4.19Å; L552-V588 HydrophobicContact CD2-CG2 3.5Å; L570-V588 HydrophobicContact CD1-CG2 4.16Å; L570-V588 HydrophobicContact CD2-CG2 4.18Å; V584-V588 HydrophobicContact CG1-CG2 4.04Å; V584-V588 WeakPolarHBondContact O-CB 3.36Å; V584-V588 VanDerWaalsContact O-CG2 3.28Å; V584-V588 WeakPolarHBondContact O-CG2 3.41Å; V584-V588 PolarHBondContact O-N 3.13Å; V588-N590 PolarHBondContact O-N 3.43Å; V588-L591 PolarHBondContact O-N 3.42Å; V588-A592 WeakPolarHBondContact O-CB 3.41Å; V588-A592 PolarHBondContact O-N 3.46Å; V588-L607 HydrophobicContact CG1-CB 4.15Å; V588-L607 HydrophobicContact CG1-CD2 4.16Å; V588-L611 HydrophobicContact CB-CD1 4.19Å; V588-L611 HydrophobicContact CG1-CB 4.26Å; V588-L611 HydrophobicContact CG1-CD1 4.01Å
589R90.6Very high88.4Confident111 Ų11139.1 Ų39.142%0.41920%0.201SC..Hα-helixtrans-59.4-47.6175.8-174.8-175.5-60.5113.41.4111.4H585 L591 A592 I593 L611H585-R589 VanDerWaalsContact O-CB 3.29Å; H585-R589 WeakPolarHBondContact O-CB 3.43Å; H585-R589 PolarHBondContact O-N 3Å; H585-R589 VanDerWaalsContact O-N 3.08Å; R589-L591 VanDerWaalsContact C-N 3.34Å; R589-L591 PolarHBondContact O-N 3.35Å; R589-A592 PolarHBondContact O-N 2.96Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.47Å; R589-L611 HydrophobicContact CB-CD2 4.38Å
590N90.8Very high88.7Confident23 Ų2341.8 Ų41.812%0.12322%0.215CC..Hα-helixtrans-65.5-37.8178.6-75.8-16.7000112.2S447 L450 L462 S586 A587 V588 I593 V594S447-N590 PolarHBondContact OG-ND2 2.91Å; L450-N590 HydrophobicContact CD1-CB 3.77Å; L462-N590 HydrophobicContact CD1-CB 3.81Å; L462-N590 HydrophobicContact CD2-CB 3.83Å; L462-N590 HydrophobicContact CG-CB 4.49Å; S586-N590 WeakPolarHBondContact O-CB 3.39Å; S586-N590 PolarHBondContact O-N 3.13Å; S586-N590 PolarHBondContact O-ND2 3.27Å; A587-N590 PolarHBondContact O-N 3.33Å; V588-N590 PolarHBondContact O-N 3.43Å; N590-I593 WeakPolarHBondContact O-CB 3.49Å; N590-I593 PolarHBondContact O-N 3.15Å; N590-V594 WeakPolarHBondContact O-CG2 3.47Å; N590-V594 PolarHBondContact O-N 2.94Å
591L91.6Very high89Confident1 Ų142.3 Ų42.31%0.00522%0.218CC..Hα-helixtrans-67.7-38.2178-17365.6000111.5E459 L462 L466 A587 V588 R589 I593 V594 Y595 L607E459-L591 HydrophobicContact CG-CD1 4.05Å; L462-L591 HydrophobicContact CB-CD1 4.17Å; L462-L591 HydrophobicContact CD1-CB 4.19Å; L462-L591 HydrophobicContact CD1-CD1 4.35Å; L466-L591 HydrophobicContact CD1-CD2 3.82Å; A587-L591 VanDerWaalsContact O-CB 3.26Å; A587-L591 WeakPolarHBondContact O-CB 3.38Å; A587-L591 PolarHBondContact O-N 2.95Å; V588-L591 PolarHBondContact O-N 3.42Å; R589-L591 VanDerWaalsContact C-N 3.34Å; R589-L591 PolarHBondContact O-N 3.35Å; L591-I593 VanDerWaalsContact C-N 3.3Å; L591-I593 PolarHBondContact O-N 3.23Å; L591-V594 WeakPolarHBondContact O-CB 3.37Å; L591-V594 PolarHBondContact O-N 3.38Å; L591-Y595 HydrophobicContact CD1-CE1 4.43Å; L591-Y595 HydrophobicContact CD1-CE2 3.9Å; L591-Y595 HydrophobicContact CD2-CE2 3.9Å; L591-Y595 HydrophobicContact CG-CD2 4.08Å; L591-Y595 HydrophobicContact CG-CE2 3.58Å; L591-Y595 PolarHBondContact O-N 2.82Å; L591-L607 HydrophobicContact CB-CD1 4.17Å; L591-L607 HydrophobicContact CD2-CD1 3.89Å; L591-L607 HydrophobicContact CG-CD1 3.89Å
592A90.3Very high89Confident3 Ų343.7 Ų43.73%0.02523%0.231CC..Hα-helixtrans-60-40.2172.300000111.8V588 R589 Y595 Q596 L607 L608V588-A592 WeakPolarHBondContact O-CB 3.41Å; V588-A592 PolarHBondContact O-N 3.46Å; R589-A592 PolarHBondContact O-N 2.96Å; A592-Y595 PolarHBondContact O-N 3.11Å; A592-Q596 WeakPolarHBondContact O-CB 3.4Å; A592-Q596 PolarHBondContact O-N 3.35Å; A592-L607 HydrophobicContact CB-CB 4.1Å; A592-L607 HydrophobicContact CB-CD1 4.36Å; A592-L608 HydrophobicContact CB-CD2 4.08Å; A592-L608 HydrophobicContact CB-CG 3.97Å
593I90.5Very high89.4Confident47 Ų4741.8 Ų41.824%0.24121%0.214CC..Hα-helixtrans-65-40.7175.2-64.2166.2000111.3L450 R589 N590 L591 Q596 R597L450-I593 HydrophobicContact CD2-CG2 4.36Å; R589-I593 WeakPolarHBondContact O-CG1 3.34Å; R589-I593 PolarHBondContact O-N 3.47Å; N590-I593 WeakPolarHBondContact O-CB 3.49Å; N590-I593 PolarHBondContact O-N 3.15Å; L591-I593 VanDerWaalsContact C-N 3.3Å; L591-I593 PolarHBondContact O-N 3.23Å; I593-Q596 PolarHBondContact O-N 3.23Å; I593-R597 WeakPolarHBondContact O-CG 3.36Å; I593-R597 PolarHBondContact O-N 2.94Å
594V91Very high89.6Confident0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-56.3-53.1173.51740000109.9L450 L455 A458 E459 L462 N590 L591 Q596 R597 Q598L450-V594 HydrophobicContact CD1-CG2 4.44Å; L450-V594 HydrophobicContact CD2-CB 4.47Å; L450-V594 HydrophobicContact CD2-CG2 3.45Å; L450-V594 VanDerWaalsContact CD2-CG2 3.45Å; L450-V594 HydrophobicContact CG-CG2 4.24Å; L455-V594 HydrophobicContact CB-CG1 4.46Å; A458-V594 HydrophobicContact CB-CG2 4.24Å; E459-V594 HydrophobicContact CB-CG1 3.97Å; E459-V594 HydrophobicContact CG-CG1 4.2Å; L462-V594 HydrophobicContact CD1-CG2 3.94Å; N590-V594 WeakPolarHBondContact O-CG2 3.47Å; N590-V594 PolarHBondContact O-N 2.94Å; L591-V594 WeakPolarHBondContact O-CB 3.37Å; L591-V594 PolarHBondContact O-N 3.38Å; V594-Q596 PolarHBondContact O-N 2.92Å; V594-R597 PolarHBondContact O-N 3.43Å; V594-R597 VanDerWaalsContact O-N 3.16Å; V594-Q598 HydrophobicContact CG1-CG 4.4Å; V594-Q598 WeakPolarHBondContact O-CG 3.45Å; V594-Q598 PolarHBondContact O-N 2.93Å
595Y91.2Very high89.6Confident6 Ų646.2 Ų46.22%0.02424%0.237CC..Hα-helixtrans-65.8-36.1-177.8-68.8-34000113.2E459 K463 L556 L591 A592 R597 Q598 G599 L600 H603 L607E459-Y595 HydrophobicContact CG-CE1 4.36Å; E459-Y595 PolarHBondContact OE1-OH 2.85Å; K463-Y595 VanDerWaalsContact CE-OH 3.3Å; K463-Y595 WeakPolarHBondContact CE-OH 3.47Å; L556-Y595 HydrophobicContact CD2-CD2 4.34Å; L556-Y595 HydrophobicContact CD2-CE2 3.69Å; L591-Y595 HydrophobicContact CD1-CE1 4.43Å; L591-Y595 HydrophobicContact CD1-CE2 3.9Å; L591-Y595 HydrophobicContact CD2-CE2 3.9Å; L591-Y595 HydrophobicContact CG-CD2 4.08Å; L591-Y595 HydrophobicContact CG-CE2 3.58Å; L591-Y595 PolarHBondContact O-N 2.82Å; A592-Y595 PolarHBondContact O-N 3.11Å; Y595-R597 VanDerWaalsContact C-N 3.31Å; Y595-R597 PolarHBondContact O-N 3.36Å; Y595-Q598 PolarHBondContact O-N 3.35Å; Y595-G599 PolarHBondContact O-N 3.33Å; Y595-G599 VanDerWaalsContact O-N 3.16Å; Y595-L600 HydrophobicContact CD1-CB 4.47Å; Y595-L600 HydrophobicContact CD1-CD1 3.82Å; Y595-L600 HydrophobicContact CE1-CD1 4.32Å; Y595-L600 PolarHBondContact O-N 3.42Å; Y595-H603 HydrophobicContact CD2-CB 3.68Å; Y595-H603 HydrophobicContact CE2-CB 4.23Å; Y595-H603 HydrophobicContact CG-CB 3.98Å; Y595-L607 HydrophobicContact CD2-CD1 3.74Å; Y595-L607 HydrophobicContact CE2-CD1 3.89Å
596Q91Very high89.6Confident105 Ų10545.9 Ų45.949%0.49124%0.236SC..Hα-helixtrans-61.8-40.3173.9-168.7-179.65.500111.6A592 I593 V594 G599 Q601 A604A592-Q596 WeakPolarHBondContact O-CB 3.4Å; A592-Q596 PolarHBondContact O-N 3.35Å; I593-Q596 PolarHBondContact O-N 3.23Å; V594-Q596 PolarHBondContact O-N 2.92Å; Q596-G599 PolarHBondContact O-N 2.88Å; Q596-Q601 PolarHBondContact O-NE2 3.21Å; Q596-A604 HydrophobicContact CB-CB 4.19Å
597R90.3Very high89.7Confident134 Ų13444.4 Ų44.451%0.50623%0.226SC..Hα-helixtrans-76-26.1178.7-70.8179.2176.6-174.51113.9L450 L455 I593 V594 Y595 G599L450-R597 PolarHBondContact O-NH1 3.49Å; L455-R597 HydrophobicContact CD1-CB 3.67Å; L455-R597 HydrophobicContact CD2-CB 4.23Å; I593-R597 WeakPolarHBondContact O-CG 3.36Å; I593-R597 PolarHBondContact O-N 2.94Å; V594-R597 PolarHBondContact O-N 3.43Å; V594-R597 VanDerWaalsContact O-N 3.16Å; Y595-R597 VanDerWaalsContact C-N 3.31Å; Y595-R597 PolarHBondContact O-N 3.36Å; R597-G599 VanDerWaalsContact C-N 3.32Å
598Q91.1Very high89.7Confident76 Ų7647.8 Ų47.836%0.35524%0.244SC..Hα-helixtrans-80.8-9.9172.9-71.1175.7-900113.3L455 E459 V594 Y595 L600L455-Q598 HydrophobicContact CD1-CG 4.06Å; E459-Q598 PolarHBondContact OE2-NE2 2.89Å; E459-Q598 PolarHBondContact OE2-OE1 3.28Å; V594-Q598 HydrophobicContact CG1-CG 4.4Å; V594-Q598 WeakPolarHBondContact O-CG 3.45Å; V594-Q598 PolarHBondContact O-N 2.93Å; Y595-Q598 PolarHBondContact O-N 3.35Å; Q598-L600 HydrophobicContact CB-CD1 4.28Å
599G88.6Confident89.5Confident52 Ų5251.6 Ų51.654%0.53626%0.261SS..THydrogen-bonded Turntrans90.95.1-178.500000115.1Y595 Q596 R597 Q601Y595-G599 PolarHBondContact O-N 3.33Å; Y595-G599 VanDerWaalsContact O-N 3.16Å; Q596-G599 PolarHBondContact O-N 2.88Å; R597-G599 VanDerWaalsContact C-N 3.32Å; G599-Q601 VanDerWaalsContact C-N 3.32Å; G599-Q601 PolarHBondContact O-N 3.43Å; G599-Q601 VanDerWaalsContact O-N 3.07Å
600L89.3Confident89.3Confident67 Ų6746.4 Ų46.435%0.35124%0.242SC..  trans-84.865179.2-71157.2000111.4Y595 Q598 S602 H603 A604Y595-L600 HydrophobicContact CD1-CB 4.47Å; Y595-L600 HydrophobicContact CD1-CD1 3.82Å; Y595-L600 HydrophobicContact CE1-CD1 4.32Å; Y595-L600 PolarHBondContact O-N 3.42Å; Q598-L600 HydrophobicContact CB-CD1 4.28Å; L600-S602 VanDerWaalsContact C-N 3.3Å; L600-S602 PolarHBondContact O-N 3.14Å; L600-H603 HydrophobicContact CB-CB 4.26Å; L600-H603 PolarHBondContact O-N 3.48Å; L600-A604 PolarHBondContact O-N 3.32Å; L600-A604 VanDerWaalsContact O-N 3.15Å
601Q87.9Confident89.2Confident86 Ų8645.9 Ų45.940%0.40224%0.239SC..Hα-helixtrans-60-34.9-173.3-62.1-59.8-34.200113.7Q596 G599 H603 A604 N605Q596-Q601 PolarHBondContact O-NE2 3.21Å; G599-Q601 VanDerWaalsContact C-N 3.32Å; G599-Q601 PolarHBondContact O-N 3.43Å; G599-Q601 VanDerWaalsContact O-N 3.07Å; Q601-H603 PolarHBondContact O-N 2.75Å; Q601-A604 PolarHBondContact O-N 3.04Å; Q601-N605 WeakPolarHBondContact O-CB 3.44Å; Q601-N605 PolarHBondContact O-N 3.35Å; Q601-N605 PolarHBondContact O-ND2 2.84Å
602S86.1Confident88.9Confident67 Ų6752.3 Ų52.347%0.46927%0.269SS..Hα-helixtrans-61.7-42.4177.352.40000112.5L600 L606L600-S602 VanDerWaalsContact C-N 3.3Å; L600-S602 PolarHBondContact O-N 3.14Å; S602-L606 WeakPolarHBondContact O-CB 3.45Å; S602-L606 PolarHBondContact O-N 2.98Å
603H89.3Confident88.4Confident33 Ų3354.4 Ų54.415%0.15328%0.282CS..Hα-helixtrans-69.1-43.4178.9-64.465.8000110.8L556 I560 Y595 L600 Q601 L607L556-H603 HydrophobicContact CD2-CB 4.27Å; I560-H603 HydrophobicContact CD1-CB 4Å; I560-H603 WeakPolarHBondContact CD1-CD2 3.3Å; I560-H603 WeakPolarHBondContact CD1-NE2 3.36Å; Y595-H603 HydrophobicContact CD2-CB 3.68Å; Y595-H603 HydrophobicContact CE2-CB 4.23Å; Y595-H603 HydrophobicContact CG-CB 3.98Å; L600-H603 HydrophobicContact CB-CB 4.26Å; L600-H603 PolarHBondContact O-N 3.48Å; Q601-H603 PolarHBondContact O-N 2.75Å; H603-L607 WeakPolarHBondContact O-CG 3.48Å; H603-L607 PolarHBondContact O-N 2.78Å; H603-L607 VanDerWaalsContact O-N 3.15Å
604A88.7Confident87.9Confident1 Ų152.2 Ų52.21%0.00827%0.271CS..Hα-helixtrans-63-46.9178.500000112.1Q596 L600 Q601 L606 L607 L608Q596-A604 HydrophobicContact CB-CB 4.19Å; L600-A604 PolarHBondContact O-N 3.32Å; L600-A604 VanDerWaalsContact O-N 3.15Å; Q601-A604 PolarHBondContact O-N 3.04Å; A604-L606 PolarHBondContact O-N 3.04Å; A604-L607 PolarHBondContact O-N 3.31Å; A604-L608 VanDerWaalsContact O-CG 3.32Å; A604-L608 WeakPolarHBondContact O-CG 3.36Å; A604-L608 PolarHBondContact O-N 3.14Å
605N88.4Confident87.3Confident96 Ų9656.1 Ų56.151%0.51329%0.291SS..Hα-helixtrans-64.3-42.4-178.6-70.9-17.2000112.1Q601 L608 E609Q601-N605 WeakPolarHBondContact O-CB 3.44Å; Q601-N605 PolarHBondContact O-N 3.35Å; Q601-N605 PolarHBondContact O-ND2 2.84Å; N605-L608 PolarHBondContact O-N 2.87Å; N605-E609 WeakPolarHBondContact O-CB 3.5Å; N605-E609 PolarHBondContact O-N 2.89Å
606L88.4Confident86.4Confident23 Ų2358.9 Ų58.912%0.1231%0.308CS..Hα-helixtrans-65.8-40.6178.7-174.661000112L556 I560 S602 A604 E609 W610L556-L606 HydrophobicContact CD1-CB 4.19Å; L556-L606 HydrophobicContact CD1-CD2 3.77Å; L556-L606 HydrophobicContact CD1-CG 4.04Å; I560-L606 HydrophobicContact CD1-CD2 4.48Å; I560-L606 HydrophobicContact CG1-CD2 3.79Å; S602-L606 WeakPolarHBondContact O-CB 3.45Å; S602-L606 PolarHBondContact O-N 2.98Å; A604-L606 PolarHBondContact O-N 3.04Å; L606-E609 PolarHBondContact O-N 3.26Å; L606-W610 HydrophobicContact CD1-CZ2 4.3Å; L606-W610 HydrophobicContact CD2-CH2 4.42Å; L606-W610 HydrophobicContact CD2-CZ2 3.92Å; L606-W610 HydrophobicContact CG-CD2 4.4Å; L606-W610 HydrophobicContact CG-CZ2 3.96Å; L606-W610 PolarHBondContact O-N 3.45Å
607L88.9Confident84.9Confident1 Ų158.9 Ų58.91%0.00531%0.311CS..Hα-helixtrans-63.6-40.4174-74.9178.2000112.4L556 V588 L591 A592 Y595 H603 A604 E609 W610 L611L556-L607 HydrophobicContact CD1-CD2 3.8Å; L556-L607 HydrophobicContact CD1-CG 3.84Å; L556-L607 HydrophobicContact CD2-CD1 3.95Å; L556-L607 HydrophobicContact CD2-CD2 3.99Å; L556-L607 HydrophobicContact CD2-CG 3.87Å; L556-L607 HydrophobicContact CG-CD2 4.41Å; V588-L607 HydrophobicContact CG1-CB 4.15Å; V588-L607 HydrophobicContact CG1-CD2 4.16Å; L591-L607 HydrophobicContact CB-CD1 4.17Å; L591-L607 HydrophobicContact CD2-CD1 3.89Å; L591-L607 HydrophobicContact CG-CD1 3.89Å; A592-L607 HydrophobicContact CB-CB 4.1Å; A592-L607 HydrophobicContact CB-CD1 4.36Å; Y595-L607 HydrophobicContact CD2-CD1 3.74Å; Y595-L607 HydrophobicContact CE2-CD1 3.89Å; H603-L607 WeakPolarHBondContact O-CG 3.48Å; H603-L607 PolarHBondContact O-N 2.78Å; H603-L607 VanDerWaalsContact O-N 3.15Å; A604-L607 PolarHBondContact O-N 3.31Å; L607-E609 VanDerWaalsContact C-N 3.35Å; L607-W610 HydrophobicContact CD2-CE3 3.99Å; L607-W610 HydrophobicContact CD2-CZ3 4.22Å; L607-W610 PolarHBondContact O-N 3.4Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 PolarHBondContact O-N 2.94Å
608L87.9Confident82.9Confident71 Ų7161 Ų6137%0.37232%0.321SS..Hα-helixtrans-67-37.1176.4-72171000111.7A592 A604 N605 L611 Q612A592-L608 HydrophobicContact CB-CD2 4.08Å; A592-L608 HydrophobicContact CB-CG 3.97Å; A604-L608 VanDerWaalsContact O-CG 3.32Å; A604-L608 WeakPolarHBondContact O-CG 3.36Å; A604-L608 PolarHBondContact O-N 3.14Å; N605-L608 PolarHBondContact O-N 2.87Å; L608-L611 PolarHBondContact O-N 2.91Å; L608-Q612 WeakPolarHBondContact O-CB 3.35Å; L608-Q612 PolarHBondContact O-N 3.14Å
609E86.9Confident80.1Confident80 Ų8065.2 Ų65.237%0.37433%0.334SS..Hα-helixtrans-61.4-49.6173.2-172.3178.5176.400110.8N605 L606 L607 L611 Q612 T613N605-E609 WeakPolarHBondContact O-CB 3.5Å; N605-E609 PolarHBondContact O-N 2.89Å; L606-E609 PolarHBondContact O-N 3.26Å; L607-E609 VanDerWaalsContact C-N 3.35Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 3.47Å; E609-Q612 PolarHBondContact O-N 2.99Å; E609-Q612 VanDerWaalsContact O-N 3.15Å; E609-T613 WeakPolarHBondContact O-CG2 3.25Å; E609-T613 PolarHBondContact O-N 3.27Å; E609-T613 PolarHBondContact O-OG1 2.92Å
610W87.7Confident77.2Confident2 Ų267.8 Ų67.81%0.00834%0.341CS..Hα-helixtrans-62.1-34.9175.4-66.2-10.5000113.6L552 I555 L556 F568 L606 L607 T613 A614L552-W610 HydrophobicContact CD1-CE3 4.3Å; L552-W610 HydrophobicContact CD1-CZ3 3.94Å; L552-W610 HydrophobicContact CG-CZ3 4.46Å; I555-W610 HydrophobicContact CG2-CH2 4.14Å; L556-W610 HydrophobicContact CB-CH2 4.2Å; L556-W610 HydrophobicContact CB-CZ3 4.14Å; L556-W610 HydrophobicContact CD1-CE3 4.43Å; L556-W610 HydrophobicContact CD1-CH2 3.92Å; L556-W610 HydrophobicContact CD1-CZ3 3.81Å; F568-W610 HydrophobicContact CB-CZ2 4.03Å; F568-W610 AromaticContact CD1-CD2 3.63Å; F568-W610 HydrophobicContact CD1-CD2 3.63Å; F568-W610 AromaticContact CD1-CE2 3.78Å; F568-W610 AromaticContact CD1-CE3 3.8Å; F568-W610 HydrophobicContact CD1-CE3 3.8Å; F568-W610 HydrophobicContact CD1-CG 4.06Å; F568-W610 HydrophobicContact CD1-CH2 4.23Å; F568-W610 HydrophobicContact CD1-CZ2 4.09Å; F568-W610 HydrophobicContact CD1-CZ3 4.1Å; F568-W610 HydrophobicContact CE1-CD2 4.29Å; F568-W610 HydrophobicContact CE1-CE3 4Å; F568-W610 HydrophobicContact CE1-CZ3 4.17Å; F568-W610 HydrophobicContact CG-CD2 4.41Å; F568-W610 HydrophobicContact CG-CH2 4.48Å; F568-W610 HydrophobicContact CG-CZ2 4.15Å; L606-W610 HydrophobicContact CD1-CZ2 4.3Å; L606-W610 HydrophobicContact CD2-CH2 4.42Å; L606-W610 HydrophobicContact CD2-CZ2 3.92Å; L606-W610 HydrophobicContact CG-CD2 4.4Å; L606-W610 HydrophobicContact CG-CZ2 3.96Å; L606-W610 PolarHBondContact O-N 3.45Å; L607-W610 HydrophobicContact CD2-CE3 3.99Å; L607-W610 HydrophobicContact CD2-CZ3 4.22Å; L607-W610 PolarHBondContact O-N 3.4Å; W610-T613 WeakPolarHBondContact CA-OG1 3.47Å; W610-T613 PolarHBondContact O-OG1 2.94Å; W610-A614 WeakPolarHBondContact O-CB 3.39Å; W610-A614 PolarHBondContact O-N 3.37Å
611L87.3Confident74.2Confident12 Ų1274.5 Ų74.56%0.06336%0.361CS..Hα-helixtrans-67.9-42.3174.4-170.488.3000110.7H585 V588 R589 L607 L608 E609 A614 I615H585-L611 HydrophobicContact CB-CD1 4.13Å; V588-L611 HydrophobicContact CB-CD1 4.19Å; V588-L611 HydrophobicContact CG1-CB 4.26Å; V588-L611 HydrophobicContact CG1-CD1 4.01Å; R589-L611 HydrophobicContact CB-CD2 4.38Å; L607-L611 WeakPolarHBondContact O-CB 3.5Å; L607-L611 PolarHBondContact O-N 2.94Å; L608-L611 PolarHBondContact O-N 2.91Å; E609-L611 VanDerWaalsContact C-N 3.31Å; E609-L611 PolarHBondContact O-N 3.47Å; L611-A614 PolarHBondContact O-N 3.28Å; L611-I615 HydrophobicContact CD2-CD1 4.16Å; L611-I615 HydrophobicContact CG-CD1 4.01Å; L611-I615 VanDerWaalsContact O-CG1 3.28Å; L611-I615 WeakPolarHBondContact O-CG1 3.44Å; L611-I615 PolarHBondContact O-N 2.68Å
612Q85.5Confident71.3Confident136 Ų13673.7 Ų73.764%0.63637%0.365SS*.Hα-helixtrans-66.3-43.1-179.5-174.7169.4-15.100111.3L608 E609 A614 I615 T616L608-Q612 WeakPolarHBondContact O-CB 3.35Å; L608-Q612 PolarHBondContact O-N 3.14Å; E609-Q612 PolarHBondContact O-N 2.99Å; E609-Q612 VanDerWaalsContact O-N 3.15Å; Q612-A614 VanDerWaalsContact C-N 3.34Å; Q612-A614 PolarHBondContact O-N 2.95Å; Q612-I615 PolarHBondContact O-N 3.26Å; Q612-T616 WeakPolarHBondContact O-CG2 3.47Å; Q612-T616 PolarHBondContact O-N 3.28Å; Q612-T616 PolarHBondContact O-OG1 3.44Å; Q612-T616 VanDerWaalsContact O-OG1 3.07Å
613T81.5Confident68.5Low48 Ų4877.6 Ų77.629%0.29438%0.381SS..Hα-helixtrans-60.4-43.517555.80000111.5E609 W610 I615 T616 D617E609-T613 WeakPolarHBondContact O-CG2 3.25Å; E609-T613 PolarHBondContact O-N 3.27Å; E609-T613 PolarHBondContact O-OG1 2.92Å; W610-T613 WeakPolarHBondContact CA-OG1 3.47Å; W610-T613 PolarHBondContact O-OG1 2.94Å; T613-I615 PolarHBondContact O-N 3.02Å; T613-T616 WeakPolarHBondContact CA-OG1 3.46Å; T613-T616 PolarHBondContact O-N 3.28Å; T613-T616 PolarHBondContact O-OG1 3.33Å; T613-D617 WeakPolarHBondContact O-CB 3.45Å; T613-D617 VanDerWaalsContact O-CG 3.29Å; T613-D617 PolarHBondContact O-N 2.99Å
614A80Confident65.8Low1 Ų182.3 Ų82.31%0.00840%0.403CS..Hα-helixtrans-63.3-39.6177.300000113.6L570 V571 W610 L611 Q612 Y618L570-A614 HydrophobicContact CB-CB 4Å; L570-A614 HydrophobicContact CD2-CB 4.15Å; V571-A614 HydrophobicContact CG2-CB 3.96Å; W610-A614 WeakPolarHBondContact O-CB 3.39Å; W610-A614 PolarHBondContact O-N 3.37Å; L611-A614 PolarHBondContact O-N 3.28Å; Q612-A614 VanDerWaalsContact C-N 3.34Å; Q612-A614 PolarHBondContact O-N 2.95Å; A614-Y618 PolarHBondContact O-N 3.14Å
615I77.8Confident63.1Low82 Ų8288 Ų8842%0.42144%0.437SS..Hα-helixtrans-68.8-39.7176.6-67.7165.6000110.6L611 Q612 T613 D617 Y618 R619L611-I615 HydrophobicContact CD2-CD1 4.16Å; L611-I615 HydrophobicContact CG-CD1 4.01Å; L611-I615 VanDerWaalsContact O-CG1 3.28Å; L611-I615 WeakPolarHBondContact O-CG1 3.44Å; L611-I615 PolarHBondContact O-N 2.68Å; Q612-I615 PolarHBondContact O-N 3.26Å; T613-I615 PolarHBondContact O-N 3.02Å; I615-D617 VanDerWaalsContact C-N 3.35Å; I615-Y618 PolarHBondContact O-N 3.24Å; I615-R619 PolarHBondContact O-N 3.33Å
616T71.4Confident60.4Low63 Ų6388.5 Ų88.539%0.38745%0.449SS..Hα-helixtrans-68.6-33.517850.10000112.7Q612 T613 Y618 R619Q612-T616 WeakPolarHBondContact O-CG2 3.47Å; Q612-T616 PolarHBondContact O-N 3.28Å; Q612-T616 PolarHBondContact O-OG1 3.44Å; Q612-T616 VanDerWaalsContact O-OG1 3.07Å; T613-T616 WeakPolarHBondContact CA-OG1 3.46Å; T613-T616 PolarHBondContact O-N 3.28Å; T613-T616 PolarHBondContact O-OG1 3.33Å; T616-Y618 VanDerWaalsContact C-N 3.3Å; T616-Y618 PolarHBondContact O-N 3.2Å; T616-R619 PolarHBondContact O-N 3.36Å
617D59.6Low57.5Low105 Ų10592.4 Ų92.456%0.56148%0.484SS*.Hα-helixtrans-69.3-27.6176-74.1-18.7000112.5T613 I615T613-D617 WeakPolarHBondContact O-CB 3.45Å; T613-D617 VanDerWaalsContact O-CG 3.29Å; T613-D617 PolarHBondContact O-N 2.99Å; I615-D617 VanDerWaalsContact C-N 3.35Å
618Y48.4Very low54.8Low180 Ų180100.5 Ų100.571%0.70653%0.527SS*.Hα-helixtrans-87.7-10.7-179.7-151.3-95.5000114.1L581 A614 I615 T616L581-Y618 HydrophobicContact CD2-CD2 4.09Å; L581-Y618 HydrophobicContact CD2-CE2 4.26Å; A614-Y618 PolarHBondContact O-N 3.14Å; I615-Y618 PolarHBondContact O-N 3.24Å; T616-Y618 VanDerWaalsContact C-N 3.3Å; T616-Y618 PolarHBondContact O-N 3.2Å
619R32.6Very low52.1Low164 Ų164101.3 Ų101.362%0.61954%0.543SS*.SBendtrans-72.1128.5170.4-123.9-173.9-165.7-176.54.8107.9I615 T616 R621I615-R619 PolarHBondContact O-N 3.33Å; T616-R619 PolarHBondContact O-N 3.36Å; R619-R621 PolarHBondContact O-N 3.18Å
620P27.7Very low49.3Very low106 Ų106104.1 Ų104.169%0.68857%0.57SS**  trans-56116.9167.223.3-29.6000106.6S622P620-S622 PolarHBondContact O-N 3.46Å; P620-S622 PolarHBondContact O-OG 3.3Å
621R26.4Very low46.7Very low207 Ų207108 Ų10878%0.78160%0.598SS**SBendtrans-49.188.3-178-82-177.8174.7172.5-1.3110R619R619-R621 PolarHBondContact O-N 3.18Å
622S27.4Very low43.9Very low70 Ų70113.8 Ų113.849%0.4964%0.636SS.*  trans-130.8103.9169.648.60000103.5P620P620-S622 PolarHBondContact O-N 3.46Å; P620-S622 PolarHBondContact O-OG 3.3Å
623N25.8Very low41.5Very low148 Ų148114.2 Ų114.279%0.79164%0.642SS**  trans7779.1175.3-47.7-20.8000116.4
624H33.9Very low38.9Very low132 Ų132118.1 Ų118.161%0.61167%0.665SS**  trans-134.290.6146.4-79.2-66.5000109.8S626H624-S626 PolarHBondContact O-N 3.49Å
625T32.2Very low36.5Very low120 Ų120123.8 Ų123.874%0.73670%0.704SS**  trans-57.6109147.2360000108.6
626S30.9Very low34.1Very low107 Ų107126.1 Ų126.175%0.74872%0.722SS**  29.596.512957.70000116.9H624H624-S626 PolarHBondContact O-N 3.49Å
627A28.5Very low32.2Very low105 Ų105134.4 Ų134.487%0.86875%0.746SS**  trans-141.868.9141.900000107.7
628L31.9Very low30.7Very low171 Ų171133.8 Ų133.890%0.89575%0.75SS**  trans-88137.4159.6-87.5160.2000107.6
629A31.5Very low30Very low88 Ų88132.1 Ų132.173%0.72776%0.758SS**  trans76.888.5161.600000118
630C28.3Very low30Very low139 Ų139132.7 Ų132.794%0.93977%0.767SS**  trans-122.599.9136.2-90.90000108.7
631S31.2Very low30.1Very low85 Ų85131.1 Ų131.159%0.59477%0.77SS**  trans-63.9145.5165.6-450000110.2I633S631-I633 PolarHBondContact O-N 3.4Å; S631-I633 VanDerWaalsContact O-N 3.17Å
632P29.5Very low30.5Very low132 Ų132127.6 Ų127.686%0.85777%0.771SS**  trans-79.998.4166.431.9-26.3000107.7
633I34.9Very low30.7Very low146 Ų146131.4 Ų131.475%0.74979%0.786SS**  trans-105.1104.6166.2-63.3176.2000107.5S631 C635S631-I633 PolarHBondContact O-N 3.4Å; S631-I633 VanDerWaalsContact O-N 3.17Å; I633-C635 PolarHBondContact O-N 2.87Å
634T27.3Very low30.9Very low130 Ų130129.5 Ų129.580%0.79879%0.785SS**  trans-44.2115.1158.4-44.10000110.2
635C29.5Very low30.8Very low120 Ų120131.9 Ų131.981%0.81180%0.796SS**  trans-155.1113.3149.7-1190000109.4I633I633-C635 PolarHBondContact O-N 2.87Å
636T28Very low30.8Very low130 Ų130134.9 Ų134.980%0.79880%0.802SS**  trans-51.1147.8166.742.80000111.4
637R30.2Very low31Very low238 Ų238140 Ų14090%0.89881%0.811SS**  trans141.999135.3-162.1167.2-169.3175.41.4112.3
638S28.2Very low31.4Very low91 Ų91142.2 Ų142.264%0.63681%0.808SS**  trans46.6103.1132.11680000117.8
639V34.7Very low32Very low146 Ų146143.5 Ų143.589%0.88583%0.831SS**  trans-124.7106.7143.9-176.90000107.3
640H32.2Very low32Very low176 Ų176146.3 Ų146.382%0.81584%0.836SS**  trans-59.5149.5163.8-83.331.1000110.4
641G30.3Very low32.2Very low73 Ų73146.6 Ų146.675%0.75383%0.831SS**  trans12764.8155.300000114.8
642V34.6Very low32.3Very low132 Ų132150.1 Ų150.180%0.884%0.844SS**  trans-109.7108.8155.2178.40000107.5
643N31.1Very low32.5Very low150 Ų150151.1 Ų151.180%0.80284%0.843SS**  trans45104.4143.1-55.9-16.2000118.3
644S30.2Very low32.3Very low109 Ų109151.4 Ų151.476%0.76285%0.849SS**  trans-152.3142.1137.934.80000109
645H31.4Very low32.6Very low181 Ų181152.9 Ų152.984%0.83885%0.852SS**  trans86.995.5-177.1-61.2-78.5000116.4
646E33Very low32.9Very low184 Ų184155.2 Ų155.286%0.8686%0.855SS**  179.9103.8110.9-96.5176.1-178.500109.2
647F33.8Very low33.2Very low214 Ų214157.2 Ų157.294%0.93986%0.86SS**  trans-153.1111.9143.2-112.8-78.7000108
648N36.8Very low33.5Very low152 Ų152150.4 Ų150.481%0.81386%0.857SS**  trans-77.6148.5163.2-86.7-36.1000109.1
649S45.5Very low34Very low197 Ų197155.8 Ų155.8100%1.37888%0.877SS**  trans91.40179.3-45.30000116.2

Retrieved 649 of 649 residues in 602.9 ms (Link to these results)

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