A0A3Q0KUF3_SCHMA Loading...

Putative dachshund homolog

AlphaFold DB , UniProt , Accession A0A3Q0KUF3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 671 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
1M38.1Very low51.3Low80 Ų8098.7 Ų98.739%0.39448%0.484SS..  0-48.30-168.1-153.7-72.400110.5D3 K4 L5 Y301 D394M1-D3 PolarHBondContact N-OD2 3.06Å; M1-D3 PolarHBondContact O-N 3.31Å; M1-K4 WeakPolarHBondContact O-CB 3.33Å; M1-K4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.38Å; M1-Y301 HydrophobicContact CE-CE2 3.74Å; M1-Y301 VanDerWaalsContact CE-OH 3.24Å; M1-Y301 WeakPolarHBondContact CE-OH 3.2Å; M1-Y301 HydrophobicContact SD-CE1 4.22Å; M1-Y301 HydrophobicContact SD-CE2 3.94Å; M1-D394 WeakPolarHBondContact CE-OD1 3.45Å
2L43.3Very low50.8Low120 Ų12093.3 Ų93.363%0.62846%0.458SS*.Hα-helixtrans-43.1-41.4170.5-138.771.7000111.7K4 L5 T6L2-K4 VanDerWaalsContact C-N 3.35Å; L2-K4 PolarHBondContact O-N 2.92Å; L2-L5 CarbonylContact O-C 3.49Å; L2-L5 WeakPolarHBondContact O-CA 3.32Å; L2-L5 WeakPolarHBondContact O-CB 3.08Å; L2-L5 PolarHBondContact O-N 3.25Å; L2-T6 PolarHBondContact O-N 3.49Å; L2-T6 PolarHBondContact O-OG1 3.5Å; L2-T6 VanDerWaalsContact O-OG1 3.04Å
3D50.7Low50.8Low122 Ų12292.4 Ų92.465%0.65246%0.456SS*.Hα-helixtrans-56.5-38.3176.2-23.9-85000113.8M1 H7M1-D3 PolarHBondContact N-OD2 3.06Å; M1-D3 PolarHBondContact O-N 3.31Å; D3-H7 WeakPolarHBondContact O-CB 3.39Å; D3-H7 PolarHBondContact O-N 2.81Å
4K51.4Low50.7Low137 Ų13791.7 Ų91.760%0.59646%0.46SS*.Hα-helixtrans-68.3-42.1173-69.4-173.6176.4-179.10110.4M1 L2 H7 Y8M1-K4 WeakPolarHBondContact O-CB 3.33Å; M1-K4 PolarHBondContact O-N 3.49Å; L2-K4 VanDerWaalsContact C-N 3.35Å; L2-K4 PolarHBondContact O-N 2.92Å; K4-H7 PolarHBondContact O-N 3.08Å; K4-Y8 WeakPolarHBondContact O-CD2 3.38Å; K4-Y8 PolarHBondContact O-N 3.23Å
5L47.5Very low50.4Low63 Ų6388.9 Ų88.933%0.3345%0.445SS..Hα-helixtrans-65.4-42.9178.5-154.378.5000111M1 L2 Y8 K9M1-L5 PolarHBondContact O-N 3.38Å; L2-L5 CarbonylContact O-C 3.49Å; L2-L5 WeakPolarHBondContact O-CA 3.32Å; L2-L5 WeakPolarHBondContact O-CB 3.08Å; L2-L5 PolarHBondContact O-N 3.25Å; L5-Y8 PolarHBondContact O-N 3.38Å; L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 PolarHBondContact O-N 3.43Å
6T58.7Low50.1Low65 Ų6587.5 Ų87.540%0.39944%0.439SS..Hα-helixtrans-61.9-46172.3-54.10000111.1L2 Y8 K9 D10L2-T6 PolarHBondContact O-N 3.49Å; L2-T6 PolarHBondContact O-OG1 3.5Å; L2-T6 VanDerWaalsContact O-OG1 3.04Å; T6-Y8 PolarHBondContact O-N 3.13Å; T6-K9 CarbonylContact O-C 3.54Å; T6-K9 WeakPolarHBondContact O-CB 3.4Å; T6-K9 PolarHBondContact O-N 3.32Å; T6-K9 VanDerWaalsContact O-N 3.12Å; T6-D10 WeakPolarHBondContact O-CB 3.47Å; T6-D10 VanDerWaalsContact O-CG 3.29Å; T6-D10 PolarHBondContact O-N 3.49Å
7H58.7Low49.8Very low117 Ų11791.2 Ų91.254%0.54245%0.452SS..Hα-helixtrans-61-39.8176.8-176.6-88.9000113D3 K4 D10 L11D3-H7 WeakPolarHBondContact O-CB 3.39Å; D3-H7 PolarHBondContact O-N 2.81Å; K4-H7 PolarHBondContact O-N 3.08Å; H7-D10 PolarHBondContact O-N 2.73Å; H7-L11 WeakPolarHBondContact O-CB 3.26Å; H7-L11 WeakPolarHBondContact O-CG 3.49Å; H7-L11 PolarHBondContact O-N 3.12Å
8Y48.3Very low49.2Very low84 Ų8496.2 Ų96.233%0.32947%0.465SS..Hα-helixtrans-67.7-38.6172.6-79.3-61.1000112.8K4 L5 T6 D10 L11 L12 L401 I405K4-Y8 WeakPolarHBondContact O-CD2 3.38Å; K4-Y8 PolarHBondContact O-N 3.23Å; L5-Y8 PolarHBondContact O-N 3.38Å; T6-Y8 PolarHBondContact O-N 3.13Å; Y8-D10 VanDerWaalsContact C-N 3.35Å; Y8-L11 HydrophobicContact CD1-CD1 4.27Å; Y8-L12 PolarHBondContact O-N 3.46Å; Y8-L12 VanDerWaalsContact O-N 3.09Å; Y8-L401 HydrophobicContact CE2-CD1 4.36Å; Y8-I405 HydrophobicContact CE1-CD1 4.29Å
9K54.9Low48.7Very low135 Ų13593.5 Ų93.559%0.58746%0.457SS*.Hα-helixtrans-63.8-39.9174.4-171.6176.4-176.7174.90111.6L5 T6 L12 N13L5-K9 WeakPolarHBondContact O-CB 3.4Å; L5-K9 PolarHBondContact O-N 3.43Å; T6-K9 CarbonylContact O-C 3.54Å; T6-K9 WeakPolarHBondContact O-CB 3.4Å; T6-K9 PolarHBondContact O-N 3.32Å; T6-K9 VanDerWaalsContact O-N 3.12Å; K9-L12 WeakPolarHBondContact O-CB 3.45Å; K9-N13 WeakPolarHBondContact O-CB 3.18Å; K9-N13 PolarHBondContact O-N 3.29Å; K9-N13 PolarHBondContact O-ND2 3.22Å; K9-N13 PolarHBondContact O-OD1 2.82Å
10D60.3Low48.4Very low83 Ų8391.5 Ų91.544%0.44445%0.453SS..Hα-helixtrans-72.7-39.5178-70.4-21.1000112T6 H7 Y8 L12 N13 T14T6-D10 WeakPolarHBondContact O-CB 3.47Å; T6-D10 VanDerWaalsContact O-CG 3.29Å; T6-D10 PolarHBondContact O-N 3.49Å; H7-D10 PolarHBondContact O-N 2.73Å; Y8-D10 VanDerWaalsContact C-N 3.35Å; D10-L12 PolarHBondContact O-N 2.69Å; D10-N13 PolarHBondContact O-N 3.41Å; D10-T14 WeakPolarHBondContact O-CG2 3.27Å; D10-T14 PolarHBondContact O-N 2.95Å; D10-T14 PolarHBondContact O-OG1 2.89Å
11L51.8Low48Very low80 Ų8091.6 Ų91.642%0.41946%0.455SS..Hα-helixtrans-54-52.7169.7-86.5166.6000111.2H7 Y8 N13 T14 E15H7-L11 WeakPolarHBondContact O-CB 3.26Å; H7-L11 WeakPolarHBondContact O-CG 3.49Å; H7-L11 PolarHBondContact O-N 3.12Å; Y8-L11 HydrophobicContact CD1-CD1 4.27Å; L11-N13 PolarHBondContact O-N 3.08Å; L11-T14 PolarHBondContact O-N 3.41Å; L11-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 3.29Å; L11-E15 PolarHBondContact O-N 3.34Å; L11-E15 VanDerWaalsContact O-N 3.11Å
12L45.7Very low48Very low33 Ų3391 Ų9117%0.17345%0.452CS..Hα-helixtrans-52.8-52.6174-84.1157.8000111.6Y8 K9 D10 T14 E15 D16 F294 Y409Y8-L12 PolarHBondContact O-N 3.46Å; Y8-L12 VanDerWaalsContact O-N 3.09Å; K9-L12 WeakPolarHBondContact O-CB 3.45Å; D10-L12 PolarHBondContact O-N 2.69Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.36Å; L12-E15 PolarHBondContact O-N 3.26Å; L12-D16 PolarHBondContact O-N 2.95Å; L12-F294 HydrophobicContact CD1-CE2 3.95Å; L12-F294 HydrophobicContact CD1-CZ 4.13Å; L12-Y409 WeakPolarHBondContact CD2-OH 3.34Å
13N51.5Low47.9Very low82 Ų8290.8 Ų90.844%0.43945%0.45SS..Hα-helixtrans-60.6-33179.5-66.7-28.8000113.2K9 D10 L11 K17K9-N13 WeakPolarHBondContact O-CB 3.18Å; K9-N13 PolarHBondContact O-N 3.29Å; K9-N13 PolarHBondContact O-ND2 3.22Å; K9-N13 PolarHBondContact O-OD1 2.82Å; D10-N13 PolarHBondContact O-N 3.41Å; L11-N13 PolarHBondContact O-N 3.08Å; N13-K17 PolarHBondContact O-N 2.79Å; N13-K17 VanDerWaalsContact O-N 3.14Å
14T48.9Very low47.4Very low83 Ų8389 Ų8951%0.50944%0.44SS..Hα-helixtrans-75.7-33.1178.355.80000113.5D10 L11 L12 R18D10-T14 WeakPolarHBondContact O-CG2 3.27Å; D10-T14 PolarHBondContact O-N 2.95Å; D10-T14 PolarHBondContact O-OG1 2.89Å; L11-T14 PolarHBondContact O-N 3.41Å; L11-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 3.29Å; L12-T14 VanDerWaalsContact C-N 3.28Å; L12-T14 PolarHBondContact O-N 3.36Å; T14-R18 PolarHBondContact O-N 3.06Å
15E46.2Very low46.7Very low50 Ų5087.3 Ų87.323%0.23444%0.437CS..Hα-helixtrans-73.9-37.7171.8-70-157.9138.900111.6L11 L12 K17 R18 S19 Y409 W411 K412L11-E15 PolarHBondContact O-N 3.34Å; L11-E15 VanDerWaalsContact O-N 3.11Å; L12-E15 PolarHBondContact O-N 3.26Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.47Å; E15-R18 PolarHBondContact O-N 3.04Å; E15-S19 WeakPolarHBondContact O-CB 3.29Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-Y409 WeakPolarHBondContact OE2-CE1 3.45Å; E15-W411 HydrophobicContact CB-CZ2 4.09Å; E15-W411 HydrophobicContact CG-CZ2 4.33Å; E15-W411 WeakPolarHBondContact OE2-CZ2 3.35Å; E15-K412 IonicContact OE1-NZ 4Å; E15-K412 PolarHBondContact OE1-NZ 3.43Å
16D45.6Very low46Very low66 Ų6687.6 Ų87.635%0.35344%0.444SS..Hα-helixtrans-59.1-41.4173.3-77.2-30.6000111.5L12 S19 S20 K290L12-D16 PolarHBondContact O-N 2.95Å; D16-S19 WeakPolarHBondContact O-CB 3.46Å; D16-S19 PolarHBondContact O-N 3.37Å; D16-S20 PolarHBondContact O-N 3.4Å; D16-S20 PolarHBondContact O-OG 2.93Å; D16-K290 IonicContact OD1-NZ 3.91Å
17K44.6Very low45Very low151 Ų15187.4 Ų87.466%0.65745%0.446SS*.Hα-helixtrans-60.9-44.8173.2-116.2179.9-179.21780113.1N13 E15 S19 S20 D21N13-K17 PolarHBondContact O-N 2.79Å; N13-K17 VanDerWaalsContact O-N 3.14Å; E15-K17 VanDerWaalsContact C-N 3.32Å; E15-K17 PolarHBondContact O-N 3.47Å; K17-S19 VanDerWaalsContact C-N 3.26Å; K17-S19 PolarHBondContact O-N 3.03Å; K17-S20 WeakPolarHBondContact CA-OG 3.11Å; K17-S20 PolarHBondContact O-N 3.13Å; K17-S20 PolarHBondContact O-OG 3.42Å; K17-D21 PolarHBondContact O-N 3.47Å
18R38.7Very low44.2Very low180 Ų18087.8 Ų87.868%0.67945%0.446SS*.Hα-helixtrans-67.2-31.3179.1-157.2173.8-171.7176.51.6111.5T14 E15 I22T14-R18 PolarHBondContact O-N 3.06Å; E15-R18 PolarHBondContact O-N 3.04Å; R18-I22 HydrophobicContact CG-CD1 4.47Å; R18-I22 WeakPolarHBondContact O-CD1 3.49Å; R18-I22 VanDerWaalsContact O-CG1 3.22Å; R18-I22 WeakPolarHBondContact O-CG1 3.45Å; R18-I22 PolarHBondContact O-N 3.12Å; R18-I22 VanDerWaalsContact O-N 3.1Å
19S40.7Very low43.7Very low45 Ų4590.1 Ų90.132%0.31546%0.463SS..Hα-helixtrans-69.8-42.5173.3-164.20000112.1E15 D16 K17 I22 M23E15-S19 WeakPolarHBondContact O-CB 3.29Å; E15-S19 PolarHBondContact O-N 3.44Å; D16-S19 WeakPolarHBondContact O-CB 3.46Å; D16-S19 PolarHBondContact O-N 3.37Å; K17-S19 VanDerWaalsContact C-N 3.26Å; K17-S19 PolarHBondContact O-N 3.03Å; S19-I22 PolarHBondContact O-N 3.14Å; S19-M23 WeakPolarHBondContact O-CE 3.31Å; S19-M23 PolarHBondContact O-N 3.32Å
20S42.5Very low42.7Very low54 Ų5488.5 Ų88.538%0.37847%0.469SS..Hα-helixtrans-62.7-42172.857.40000112.4D16 K17 I22 M23 D24D16-S20 PolarHBondContact O-N 3.4Å; D16-S20 PolarHBondContact O-OG 2.93Å; K17-S20 WeakPolarHBondContact CA-OG 3.11Å; K17-S20 PolarHBondContact O-N 3.13Å; K17-S20 PolarHBondContact O-OG 3.42Å; S20-I22 VanDerWaalsContact C-N 3.32Å; S20-I22 PolarHBondContact O-N 3.3Å; S20-M23 PolarHBondContact O-N 2.88Å; S20-D24 VanDerWaalsContact O-CB 3.29Å; S20-D24 WeakPolarHBondContact O-CB 3.45Å; S20-D24 PolarHBondContact O-N 2.79Å
21D39Very low41.5Very low94 Ų9488.7 Ų88.750%0.50348%0.476SS..Hα-helixtrans-64.2-36.5178.1-64.8-15000111.7K17 L25K17-D21 PolarHBondContact O-N 3.47Å; D21-L25 WeakPolarHBondContact O-CB 3.31Å; D21-L25 WeakPolarHBondContact O-CD1 3.47Å; D21-L25 VanDerWaalsContact O-CG 3.31Å; D21-L25 WeakPolarHBondContact O-CG 3.33Å; D21-L25 PolarHBondContact O-N 3.15Å
22I39.2Very low40.6Very low66 Ų6694.3 Ų94.334%0.33850%0.497SS..Hα-helixtrans-70.3-40.9175.8-71.6165.6000111.6R18 S19 S20 L25 S26R18-I22 HydrophobicContact CG-CD1 4.47Å; R18-I22 WeakPolarHBondContact O-CD1 3.49Å; R18-I22 VanDerWaalsContact O-CG1 3.22Å; R18-I22 WeakPolarHBondContact O-CG1 3.45Å; R18-I22 PolarHBondContact O-N 3.12Å; R18-I22 VanDerWaalsContact O-N 3.1Å; S19-I22 PolarHBondContact O-N 3.14Å; S20-I22 VanDerWaalsContact C-N 3.32Å; S20-I22 PolarHBondContact O-N 3.3Å; I22-L25 PolarHBondContact O-N 2.81Å; I22-S26 WeakPolarHBondContact O-CB 3.4Å; I22-S26 PolarHBondContact O-N 2.95Å
23M40.9Very low39.8Very low116 Ų11699.6 Ų99.657%0.57153%0.526SS*.Hα-helixtrans-65.9-39.5174.6-74.8-175.6-78.200112.1S19 S20 L25 S26 S27S19-M23 WeakPolarHBondContact O-CE 3.31Å; S19-M23 PolarHBondContact O-N 3.32Å; S20-M23 PolarHBondContact O-N 2.88Å; M23-L25 VanDerWaalsContact C-N 3.31Å; M23-S26 PolarHBondContact O-N 3.39Å; M23-S27 PolarHBondContact O-N 3.42Å; M23-S27 PolarHBondContact O-OG 3.5Å
24D40.9Very low38.7Very low84 Ų84101.7 Ų101.745%0.44954%0.542SS..Hα-helixtrans-77.4-14.8178.4-165.946000113.3S20 S27 K28S20-D24 VanDerWaalsContact O-CB 3.29Å; S20-D24 WeakPolarHBondContact O-CB 3.45Å; S20-D24 PolarHBondContact O-N 2.79Å; D24-S27 WeakPolarHBondContact CA-OG 3.49Å; D24-S27 PolarHBondContact O-OG 3.31Å; D24-K28 WeakPolarHBondContact O-CD 3.22Å; D24-K28 WeakPolarHBondContact O-CE 3.34Å; D24-K28 VanDerWaalsContact O-CG 3.27Å; D24-K28 WeakPolarHBondContact O-CG 3.49Å; D24-K28 PolarHBondContact O-NZ 2.95Å; D24-K28 IonicContact OD1-NZ 3.88Å; D24-K28 PolarHBondContact OD1-NZ 3.49Å; D24-K28 IonicContact OD2-NZ 3.66Å; D24-K28 PolarHBondContact OD2-NZ 2.88Å
25L35.5Very low37.9Very low102 Ų102109.7 Ų109.753%0.53456%0.563SS.*Hα-helixtrans-81.4-44162.6-81.8163.8000111.5D21 I22 M23 S27 K28 I29D21-L25 WeakPolarHBondContact O-CB 3.31Å; D21-L25 WeakPolarHBondContact O-CD1 3.47Å; D21-L25 VanDerWaalsContact O-CG 3.31Å; D21-L25 WeakPolarHBondContact O-CG 3.33Å; D21-L25 PolarHBondContact O-N 3.15Å; I22-L25 PolarHBondContact O-N 2.81Å; M23-L25 VanDerWaalsContact C-N 3.31Å; L25-S27 PolarHBondContact O-N 3.32Å; L25-K28 PolarHBondContact O-N 2.98Å; L25-K28 VanDerWaalsContact O-N 3.13Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 2.88Å
26S33.9Very low37.1Very low69 Ų69112.2 Ų112.248%0.48359%0.586SS.*Hα-helixtrans-60.2-43.3179.5-168.80000112I22 M23 K28 I29 S30I22-S26 WeakPolarHBondContact O-CB 3.4Å; I22-S26 PolarHBondContact O-N 2.95Å; M23-S26 PolarHBondContact O-N 3.39Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.5Å; S26-I29 PolarHBondContact O-N 3.39Å; S26-S30 WeakPolarHBondContact O-CB 3.42Å; S26-S30 PolarHBondContact O-N 2.88Å
27S38.1Very low36.2Very low61 Ų61118 Ų11843%0.42761%0.608SS.*Hα-helixtrans-61.9-35.7174.6640000113M23 D24 L25M23-S27 PolarHBondContact O-N 3.42Å; M23-S27 PolarHBondContact O-OG 3.5Å; D24-S27 WeakPolarHBondContact CA-OG 3.49Å; D24-S27 PolarHBondContact O-OG 3.31Å; L25-S27 PolarHBondContact O-N 3.32Å
28K41.1Very low35.5Very low125 Ų125117 Ų11754%0.54361%0.61SS.*Hα-helixtrans-77.3-31.4177.1-69.7170.7-162.9149.90113.1D24 L25 S26D24-K28 WeakPolarHBondContact O-CD 3.22Å; D24-K28 WeakPolarHBondContact O-CE 3.34Å; D24-K28 VanDerWaalsContact O-CG 3.27Å; D24-K28 WeakPolarHBondContact O-CG 3.49Å; D24-K28 PolarHBondContact O-NZ 2.95Å; D24-K28 IonicContact OD1-NZ 3.88Å; D24-K28 PolarHBondContact OD1-NZ 3.49Å; D24-K28 IonicContact OD2-NZ 3.66Å; D24-K28 PolarHBondContact OD2-NZ 2.88Å; L25-K28 PolarHBondContact O-N 2.98Å; L25-K28 VanDerWaalsContact O-N 3.13Å; S26-K28 VanDerWaalsContact C-N 3.31Å; S26-K28 PolarHBondContact O-N 3.5Å
29I37.8Very low35.2Very low133 Ų133116 Ų11668%0.68262%0.618SS**Hα-helixtrans-71.9-36.1174.3-69.6163.7000110.5L25 S26 S31L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.46Å; L25-I29 PolarHBondContact O-N 2.88Å; S26-I29 PolarHBondContact O-N 3.39Å; I29-S31 PolarHBondContact O-N 3.49Å
30S34.6Very low34.8Very low102 Ų102121.2 Ų121.271%0.71364%0.642SS**THydrogen-bonded Turntrans-72.320174.2-168.40000114.3S26S26-S30 WeakPolarHBondContact O-CB 3.42Å; S26-S30 PolarHBondContact O-N 2.88Å
31S34.9Very low34.2Very low87 Ų87126.9 Ų126.961%0.60867%0.667SS**THydrogen-bonded Turntrans-152.544.6-172.8-75.70000114.4I29I29-S31 PolarHBondContact O-N 3.49Å
32K33.3Very low33.8Very low197 Ų197128.6 Ų128.686%0.85768%0.681SS**  trans-162.9137.6153.3-112.3147.5-171.7168.30113.8
33D28.9Very low33.1Very low145 Ų145133.7 Ų133.778%0.77571%0.708SS**  trans-75.4153.1179.3-53.8-86.7000113.6
34T27Very low32.7Very low126 Ų126134.1 Ų134.177%0.77371%0.707SS**  trans64.7137.8167.863.90000118.1
35W31.9Very low32.1Very low250 Ų250137.5 Ų137.595%0.94772%0.724SS**  -172.9159.3115.7-93.528.7000107.7
36S29.8Very low31.8Very low103 Ų103140 Ų14072%0.7273%0.733SS**  trans-85.5158.3-167.569.80000114.8D38S36-D38 PolarHBondContact OG-OD2 2.8Å
37F26.6Very low31.6Very low187 Ų187144.1 Ų144.182%0.8274%0.744SS**  trans-100.822.1-162.7-145.8-94.7000114.5N39F37-N39 PolarHBondContact O-N 3.36Å
38D30.4Very low31.2Very low130 Ų130146 Ų14670%0.69576%0.758SS**THydrogen-bonded Turntrans-91.310.9-163.6-59.8-69.6000116.1S36S36-D38 PolarHBondContact OG-OD2 2.8Å
39N32.4Very low30.5Very low159 Ų159146 Ų14685%0.8576%0.763SS**THydrogen-bonded Turntrans-12714.8-169.3-88.3-54.4000116.5F37F37-N39 PolarHBondContact O-N 3.36Å
40L31.4Very low30.1Very low155 Ų155150.6 Ų150.681%0.81277%0.774SS**  trans-112.74.5-178.7-136.579.2000115.7T42L40-T42 PolarHBondContact O-N 2.92Å
41L30Very low29.8Very low173 Ų173153.7 Ų153.791%0.90678%0.777SS**  trans-93.534.7-169.3-157.470.2000114.8
42T30.2Very low29.6Very low130 Ų130155.7 Ų155.780%0.79879%0.791SS**  trans-138.262.2-175.4-43.70000113.4L40L40-T42 PolarHBondContact O-N 2.92Å
43L26Very low29.4Very low173 Ų173152.3 Ų152.391%0.90679%0.792SS**  trans-172.190.4155.2-106.6163.6000110.8
44K32.1Very low29.7Very low125 Ų125151.4 Ų151.454%0.54380%0.797SS.*  trans-152.5151.3174-146.8165.5-170.5167.30108.6D419 S420K44-D419 IonicContact NZ-OD1 3.5Å; K44-D419 PolarHBondContact NZ-OD1 3Å; K44-S420 WeakPolarHBondContact CE-OG 3.4Å
45L28.4Very low30Very low155 Ų155150.4 Ų150.481%0.81280%0.795SS**  trans73.9107.9-178.7-52.8167.5000117
46H29Very low29.9Very low156 Ų156143.6 Ų143.672%0.72279%0.786SS**  -172.1105.8111.2-102.579.5000113.4
47Q29Very low30.1Very low155 Ų155144 Ų14472%0.72479%0.788SS**  trans56.6162.9136.8-47.2-172.528.400119.6
48S30.1Very low30.5Very low101 Ų101140.7 Ų140.771%0.70679%0.788SS**  cis-149.6161.411.956.30000114.4
49N26.9Very low30.6Very low124 Ų124139.1 Ų139.166%0.66379%0.788SS**  trans-40.9155.4176.5-51.9-20.1000118.9
50Y28.3Very low30.5Very low230 Ų230136.9 Ų136.990%0.90279%0.785SS**  trans-131.3131.9135.7-84-84.1000110.1
51H29.1Very low30.7Very low166 Ų166137.3 Ų137.377%0.76978%0.78SS**  trans-117142.5169.2-79-75.9000109.2
52S31.7Very low30.9Very low129 Ų129136.4 Ų136.490%0.90278%0.775SS**  trans-144.3109.3164.8-69.60000109.2
53S28.6Very low31Very low126 Ų126136.1 Ų136.188%0.88177%0.769SS**  trans-108.5140.5172.544.30000110.1
54S34.7Very low31.2Very low126 Ų126133.5 Ų133.588%0.88176%0.756SS**  trans-133.6145.7170.457.70000109.3
55S33.3Very low31.5Very low105 Ų105134.5 Ų134.573%0.73477%0.767SS**  trans-138131.7-15356.80000114.5
56S30.7Very low31.8Very low108 Ų108133.2 Ų133.276%0.75576%0.761SS**  trans45.2120.1141.962.70000120.7
57S33.9Very low32.3Very low111 Ų111133 Ų13378%0.77677%0.765SS**  trans-150.5122.1142.3-82.80000107.1
58S33.4Very low32.8Very low117 Ų117131.6 Ų131.682%0.81876%0.763SS**  72.4133.889.3-56.10000111.9
59S34.4Very low33.3Very low97 Ų97132.6 Ų132.668%0.67876%0.76SS**  cis-154.8163.418.1540000112.2F61S59-F61 WeakPolarHBondContact OG-CE2 3.49Å
60S29.4Very low33.8Very low113 Ų113132.8 Ų132.879%0.7976%0.761SS**  trans-118.1135.1169.649.60000111.6
61F35.2Very low34.4Very low163 Ų163126.9 Ų126.972%0.71575%0.75SS**  trans-134.1130.2171.2-66.8-81.2000106S59S59-F61 WeakPolarHBondContact OG-CE2 3.49Å
62L34.5Very low34.7Very low154 Ų154125.7 Ų125.781%0.80675%0.749SS**  56.8133.771.8-61.1-179.8000112.6
63N31.3Very low35.1Very low125 Ų125125.4 Ų125.467%0.66874%0.742SS**  cis-167.9162-13.8-173.520.9000108.2
64N31.4Very low35.7Very low118 Ų118126.2 Ų126.263%0.63174%0.736SS**  trans22.5123.3159.2-73.9-12.1000120.1
65N37.6Very low36Very low146 Ų146127.3 Ų127.378%0.78173%0.727SS**  -180150.595.5-95.2-49.1000116.5
66N35.7Very low36.3Very low128 Ų128130.5 Ų130.568%0.68474%0.736SS**  trans-43.7170.9171.6-61.2-29.5000119.4
67N40Very low36.6Very low151 Ų151130.5 Ų130.581%0.80773%0.728SS**  trans79.9154.8159.2-56.3-23.4000116.5
68N38.5Very low37.1Very low126 Ų126134.3 Ų134.367%0.67473%0.733SS**  cis-176166.1-37.7-153.543.7000104.8
69D40.4Very low37.1Very low121 Ų121135.2 Ų135.265%0.64773%0.728SS**  trans65.5148165.1-63.8-64.3000117.6
70N38.2Very low37.1Very low129 Ų129137.7 Ų137.769%0.6973%0.733SS**  cis-166.5175.9-34-134.3-48.7000109.5
71T40.4Very low37.2Very low106 Ų106140.6 Ų140.665%0.6574%0.739SS**  trans79.8126.6164.373.10000120.9
72N35.9Very low37Very low140 Ų140138.3 Ų138.375%0.74974%0.743SS**  trans54.3131.9130.6-51.9-7.6000118.9
73T40.6Very low36.9Very low123 Ų123137.1 Ų137.176%0.75575%0.748SS**  cis-164.6176.27.67.80000107
74N39.6Very low36.9Very low144 Ų144136.3 Ų136.377%0.7775%0.752SS**  cis-147-177.816.4-150.60.8000112.5
75E40.8Very low36.9Very low149 Ų149135.4 Ų135.470%0.69676%0.76SS**  trans-77.2144.5-173.6-53.9176.8137.100115.7
76N41Very low37Very low171 Ų171137.5 Ų137.591%0.91476%0.763SS**  trans-159.2130130.5-106.5-57.5000109.9
77N37.5Very low36.8Very low109 Ų109136.6 Ų136.658%0.58377%0.766SS**  trans-99.7137.2-162.2-73.7-62.8000114.5
78Q42.7Very low36.6Very low190 Ų190138.2 Ų138.289%0.88877%0.774SS**  trans164.473.7142.6-92.3161.7112.100108.7
79L33.3Very low36.5Very low137 Ų137135.2 Ų135.272%0.71777%0.767SS**  61.4121.682.2-74.9171.4000116.3
80L34.4Very low36.5Very low148 Ų148137.9 Ų137.978%0.77577%0.769SS**  trans78.1114.2148.2-64.8167.2000120.1S82L80-S82 PolarHBondContact O-N 3.44Å
81L32.2Very low36.8Very low175 Ų175137.4 Ų137.492%0.91678%0.775SS**  trans-37.6126.4152.9-77.654.6000111.5
82S32Very low37.9Very low115 Ų115136.1 Ų136.180%0.80477%0.766SS**  trans-135.9119.3157.746.70000109.4L80 S84L80-S82 PolarHBondContact O-N 3.44Å; S82-S84 PolarHBondContact O-N 2.85Å
83S31.8Very low39.5Very low129 Ų129131.5 Ų131.590%0.90274%0.744SS**  trans-75.6112.7-178.7-49.10000110.2
84S32.1Very low41Very low107 Ų107132.9 Ų132.975%0.74875%0.747SS**  trans-157.4146.6163.4-168.30000111.5S82 K86S82-S84 PolarHBondContact O-N 2.85Å; S84-K86 PolarHBondContact O-N 3.33Å
85A31.1Very low42.6Very low99 Ų99129.6 Ų129.682%0.81873%0.734SS**  trans-70.5123.8-171.100000112.2
86K38.1Very low44.2Very low191 Ų191122.8 Ų122.883%0.8370%0.702SS**  trans-139.798.7173-69.1-171.9178.8177.30111.6S84S84-K86 PolarHBondContact O-N 3.33Å
87S31.6Very low45.7Very low108 Ų108118.4 Ų118.476%0.75568%0.683SS**  trans52112.7164.6-161.80000118.2A89S87-A89 PolarHBondContact O-N 3.4Å
88L36.5Very low47.4Very low185 Ų185118.5 Ų118.597%0.96968%0.684SS**  trans-71.662.6158.2-84.4161.3000110.3Y90L88-Y90 PolarHBondContact O-N 2.85Å
89A36.8Very low49Very low64 Ų64113.8 Ų113.853%0.52966%0.664SS.*  trans-60.5133.2175.300000109.8S87 C91S87-A89 PolarHBondContact O-N 3.4Å; A89-C91 VanDerWaalsContact C-N 3.32Å; A89-C91 PolarHBondContact O-N 3.27Å
90Y40Very low50.8Low177 Ų177112.4 Ų112.469%0.69466%0.663SS**  trans-67.687.3-178.1178.7-99.9000110.7L88 T92L88-Y90 PolarHBondContact O-N 2.85Å; Y90-T92 VanDerWaalsContact CD1-OG1 3.27Å; Y90-T92 WeakPolarHBondContact CD1-OG1 3.26Å; Y90-T92 WeakPolarHBondContact CE1-OG1 3.38Å; Y90-T92 PolarHBondContact O-N 3.01Å
91C45.2Very low53Low119 Ų119111.3 Ų111.380%0.80465%0.654SS**  trans-64.486171.8-70.70000109.5A89 P93A89-C91 VanDerWaalsContact C-N 3.32Å; A89-C91 PolarHBondContact O-N 3.27Å; C91-P93 WeakPolarHBondContact O-CD 3.28Å
92T62.5Low55.3Low78 Ų78103.2 Ų103.248%0.47961%0.611SS.*PPolyproline II helixtrans-59125.4168.5-54.30000107.2Y90 N94 V159Y90-T92 VanDerWaalsContact CD1-OG1 3.27Å; Y90-T92 WeakPolarHBondContact CD1-OG1 3.26Å; Y90-T92 WeakPolarHBondContact CE1-OG1 3.38Å; Y90-T92 PolarHBondContact O-N 3.01Å; T92-N94 PolarHBondContact O-N 3.01Å; T92-V159 HydrophobicContact CG2-CG2 4.45Å
93P70.8Confident58Low44 Ų4499.3 Ų99.329%0.28658%0.582SS.*PPolyproline II helixtrans-55.3134.4176.7-25.234000110.1C91 I156C91-P93 WeakPolarHBondContact O-CD 3.28Å; P93-I156 HydrophobicContact CB-CG2 4.4Å; P93-I156 HydrophobicContact CG-CG2 3.37Å
94N70.7Confident60.7Low152 Ų15299.4 Ų99.481%0.81357%0.568SS**PPolyproline II helixtrans-55135.4175.5-76.2-31000109.3T92T92-N94 PolarHBondContact O-N 3.01Å
95P73.8Confident63.6Low75 Ų7596.8 Ų96.849%0.48755%0.547SS..PPolyproline II helixtrans-61.8150.817827.6-34.8000110.5V159P95-V159 HydrophobicContact CB-CG1 4.38Å
96V74.8Confident66.6Low6 Ų695.1 Ų95.14%0.03652%0.522CS..PPolyproline II helixtrans-52.2127.9-177.4178.80000110.8N98 N102 V120 V158 V159 N161V96-N98 PolarHBondContact O-N 3.3Å; V96-N102 HydrophobicContact CG1-CB 3.77Å; V96-N102 WeakPolarHBondContact CG1-ND2 3.44Å; V96-V120 HydrophobicContact CG1-CG1 3.66Å; V96-V120 HydrophobicContact CG1-CG2 4.18Å; V96-V120 HydrophobicContact CG2-CG1 4.06Å; V96-V120 HydrophobicContact CG2-CG2 4.47Å; V96-V158 HydrophobicContact CG2-CG1 3.26Å; V96-V159 PolarHBondContact N-O 2.85Å; V96-N161 WeakPolarHBondContact O-CB 3.2Å
97P72.8Confident69.4Low78 Ų7891.3 Ų91.351%0.50651%0.506SS..PPolyproline II helixtrans-53.5133.3174.4-27.335.5000111.3L99 N102P97-L99 HydrophobicContact CB-CG 4.39Å; P97-L99 PolarHBondContact O-N 3.25Å; P97-N102 PolarHBondContact O-ND2 2.84Å; P97-N102 VanDerWaalsContact O-ND2 3.08Å
98N71.9Confident72.5Confident112 Ų11288.6 Ų88.660%0.59948%0.483SS*.  trans-73.460.8-178.7-62.1-75.9000111.6V96 N161V96-N98 PolarHBondContact O-N 3.3Å; N98-N161 VanDerWaalsContact OD1-CB 3.3Å; N98-N161 WeakPolarHBondContact OD1-CB 3.36Å; N98-N161 PolarHBondContact OD1-ND2 3.28Å; N98-N161 PolarHBondContact OD1-OD1 2.82Å
99L76Confident75.3Confident91 Ų9186.1 Ų86.148%0.47647%0.466SS..  trans-86144.8168.6-64172.4000108.9P97 E101 N102 N103P97-L99 HydrophobicContact CB-CG 4.39Å; P97-L99 PolarHBondContact O-N 3.25Å; L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3.23Å; L99-N102 HydrophobicContact CB-CB 4.44Å; L99-N102 PolarHBondContact O-N 3.06Å; L99-N103 PolarHBondContact O-N 3.34Å
100P72.8Confident78.1Confident107 Ų10783.8 Ų83.870%0.69544%0.444SS*.THydrogen-bonded Turntrans-62.7-33.2-177.724.7-33.8000112.6N103P100-N103 PolarHBondContact O-N 3.2Å
101E78.9Confident80.7Confident126 Ų12681.8 Ų81.859%0.58944%0.435SS*.G310 helixtrans-60.6-51174.8-171.2-179.4173.300112L99 N103 Q104L99-E101 VanDerWaalsContact C-N 3.26Å; L99-E101 PolarHBondContact O-N 3.23Å; E101-N103 PolarHBondContact O-N 2.77Å; E101-Q104 WeakPolarHBondContact O-CB 3.41Å; E101-Q104 PolarHBondContact O-N 2.84Å
102N82.2Confident83Confident4 Ų478.8 Ų78.82%0.02142%0.424CS..G310 helixtrans-60.9-14.4176.7-72.5-20.4000114V96 P97 L99 V120 Q164V96-N102 HydrophobicContact CG1-CB 3.77Å; V96-N102 WeakPolarHBondContact CG1-ND2 3.44Å; P97-N102 PolarHBondContact O-ND2 2.84Å; P97-N102 VanDerWaalsContact O-ND2 3.08Å; L99-N102 HydrophobicContact CB-CB 4.44Å; L99-N102 PolarHBondContact O-N 3.06Å; N102-V120 HydrophobicContact CB-CG2 4.49Å; N102-Q164 PolarHBondContact O-NE2 2.93Å
103N87.2Confident84.5Confident33 Ų3375.9 Ų75.918%0.17641%0.408CS..G310 helixtrans-99.6-1.1179.8-67.8-14.6000112.8L99 P100 E101 V105 N161 I167L99-N103 PolarHBondContact O-N 3.34Å; P100-N103 PolarHBondContact O-N 3.2Å; E101-N103 PolarHBondContact O-N 2.77Å; N103-V105 PolarHBondContact O-N 3.31Å; N103-N161 PolarHBondContact OD1-ND2 2.84Å; N103-I167 HydrophobicContact CB-CD1 4.48Å
104Q88.5Confident85.7Confident132 Ų13279.3 Ų79.362%0.61742%0.42SS*.  trans-72115.5174-63.4-173.21800110E101 F118E101-Q104 WeakPolarHBondContact O-CB 3.41Å; E101-Q104 PolarHBondContact O-N 2.84Å; Q104-F118 WeakPolarHBondContact O-CD1 3.27Å
105V93.7Very high87Confident52 Ų5272.1 Ų72.132%0.31538%0.382SS..EExtended strand (participates in β ladder)trans-97137.7177.272.20000110.6N103 A116 T117 F118 I167 L171N103-V105 PolarHBondContact O-N 3.31Å; V105-A116 HydrophobicContact CG2-CB 4.39Å; V105-T117 WeakPolarHBondContact CA-O 3.38Å; V105-F118 HydrophobicContact CB-CD1 4.12Å; V105-F118 HydrophobicContact CB-CE1 3.64Å; V105-F118 HydrophobicContact CB-CZ 4.04Å; V105-F118 HydrophobicContact CG2-CD1 4.47Å; V105-F118 HydrophobicContact CG2-CE1 4.03Å; V105-F118 HydrophobicContact CG2-CE2 4.34Å; V105-F118 HydrophobicContact CG2-CZ 3.95Å; V105-I167 HydrophobicContact CB-CG2 3.81Å; V105-I167 HydrophobicContact CG1-CG2 3.58Å; V105-I167 HydrophobicContact CG2-CG2 4.14Å; V105-L171 HydrophobicContact CB-CD1 4.42Å; V105-L171 HydrophobicContact CG1-CD1 3.96Å; V105-L171 HydrophobicContact CG2-CD1 3.62Å
106H94.9Very high88.1Confident63 Ų6368.5 Ų68.529%0.29236%0.359SS..EExtended strand (participates in β ladder)trans-136.6173.5170.364-93.8000110T117 T119 D124H106-T117 PolarHBondContact N-O 3.49Å; H106-T117 VanDerWaalsContact NE2-CG2 3.35Å; H106-T117 WeakPolarHBondContact NE2-CG2 3.24Å; H106-T117 PolarHBondContact O-N 2.95Å; H106-T119 PolarHBondContact CE1-OG1 2.94Å; H106-D124 IonicContact CE1-OD1 2.69Å; H106-D124 IonicContact NE2-OD1 2.81Å
107F95.8Very high89.2Confident112 Ų11268.2 Ų68.249%0.49136%0.357SS..EExtended strand (participates in β ladder)trans-103.9128.8173.1-71.2-79.8000110.3H114 L115 A116 L171F107-H114 HydrophobicContact CD1-CB 4.21Å; F107-L115 WeakPolarHBondContact CA-O 3.47Å; F107-A116 HydrophobicContact CE1-CB 4.38Å; F107-L171 HydrophobicContact CZ-CD1 4.19Å; F107-L171 HydrophobicContact CZ-CD2 4.23Å
108L95.7Very high90.3Very high51 Ų5164.5 Ų64.527%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-105.3130171.6-177.765.9000108.6Y110 L115 T117 I126 P186L108-Y110 PolarHBondContact O-N 3.41Å; L108-L115 PolarHBondContact N-O 3.11Å; L108-L115 PolarHBondContact O-N 3.44Å; L108-T117 HydrophobicContact CB-CG2 4.29Å; L108-T117 VanDerWaalsContact CB-OG1 3.27Å; L108-T117 WeakPolarHBondContact CB-OG1 3.33Å; L108-I126 HydrophobicContact CD2-CG2 3.87Å; L108-P186 HydrophobicContact CD2-CG 3.65Å
109E96Very high91.4Very high132 Ų13261.3 Ų61.362%0.61732%0.317SS*.EExtended strand (participates in β ladder)trans-76.1115.2167.5-168.8-174.4165.500109
110Y95.5Very high92.2Very high15 Ų1557.4 Ų57.46%0.05930%0.297CS..EExtended strand (participates in β ladder)trans-126.9119.2178.4-178.4-98.2000109L108 G112 A113 L115 F135 P186 F189 D190L108-Y110 PolarHBondContact O-N 3.41Å; Y110-G112 PolarHBondContact O-N 3.49Å; Y110-G112 VanDerWaalsContact O-N 3.1Å; Y110-A113 PolarHBondContact N-O 2.86Å; Y110-A113 PolarHBondContact O-N 3.09Å; Y110-L115 HydrophobicContact CD1-CD1 3.83Å; Y110-L115 HydrophobicContact CG-CD1 3.98Å; Y110-F135 HydrophobicContact CD1-CD2 4.3Å; Y110-F135 AromaticContact CD1-CE2 3.65Å; Y110-F135 HydrophobicContact CD1-CE2 3.65Å; Y110-F135 AromaticContact CD1-CZ 3.97Å; Y110-F135 HydrophobicContact CD1-CZ 3.97Å; Y110-F135 HydrophobicContact CE1-CD2 4.33Å; Y110-F135 HydrophobicContact CE1-CE2 4.12Å; Y110-F135 WeakPolarHBondContact O-CZ 3.18Å; Y110-P186 HydrophobicContact CD2-CB 4.09Å; Y110-P186 HydrophobicContact CE2-CB 4Å; Y110-F189 AromaticContact CE1-CD1 3.62Å; Y110-F189 HydrophobicContact CE1-CD1 3.62Å; Y110-F189 AromaticContact CE1-CE1 3.94Å; Y110-F189 HydrophobicContact CE1-CE1 3.94Å; Y110-F189 AromaticContact CZ-CD1 3.82Å; Y110-F189 WeakPolarHBondContact OH-CD1 3.32Å; Y110-D190 PolarHBondContact OH-N 3.48Å; Y110-D190 PolarHBondContact OH-OD1 3.45Å; Y110-D190 PolarHBondContact OH-OD2 3.24Å
111R94.2Very high92.8Very high135 Ų13558.2 Ų58.251%0.50930%0.296SS..THydrogen-bonded Turntrans50.235.7179.9-54.5179.675.1935.8113.7F135 D190R111-F135 HydrophobicContact CB-CE1 3.87Å; R111-F135 HydrophobicContact CB-CZ 4.1Å; R111-D190 IonicContact NH1-OD1 2.59Å; R111-D190 PolarHBondContact NH1-OD1 2.81Å
112G93.3Very high93.2Very high56 Ų5655.4 Ų55.458%0.57730%0.3SS*.THydrogen-bonded Turntrans83.78.3179.100000116Y110Y110-G112 PolarHBondContact O-N 3.49Å; Y110-G112 VanDerWaalsContact O-N 3.1Å
113A95.4Very high93.7Very high18 Ų1861.2 Ų61.215%0.14932%0.322CS..EExtended strand (participates in β ladder)trans-125.2151.5172.300000111.7Y110 L134 F135Y110-A113 PolarHBondContact N-O 2.86Å; Y110-A113 PolarHBondContact O-N 3.09Å; A113-L134 HydrophobicContact CB-CD1 4.14Å; A113-F135 HydrophobicContact CB-CE1 4.49Å; A113-F135 HydrophobicContact CB-CZ 3.86Å
114H96.2Very high94.1Very high116 Ų11662.9 Ų62.954%0.53733%0.331SS..EExtended strand (participates in β ladder)trans-89.5114.8-179.1-69.376.5000110.9F107 Q130F107-H114 HydrophobicContact CD1-CB 4.21Å; H114-Q130 PolarHBondContact O-NE2 2.59Å
115L97.5Very high94.5Very high0 Ų056.7 Ų56.70%030%0.302CS..EExtended strand (participates in β ladder)trans-101.2136.7177.3-67.3179.4000111.3F107 L108 Y110 T117 I126 Q130 A131 L134 F135F107-L115 WeakPolarHBondContact CA-O 3.47Å; L108-L115 PolarHBondContact N-O 3.11Å; L108-L115 PolarHBondContact O-N 3.44Å; Y110-L115 HydrophobicContact CD1-CD1 3.83Å; Y110-L115 HydrophobicContact CG-CD1 3.98Å; L115-T117 PolarHBondContact O-N 3.24Å; L115-T117 PolarHBondContact O-OG1 3.41Å; L115-I126 HydrophobicContact CB-CB 4.27Å; L115-I126 HydrophobicContact CB-CG2 3.94Å; L115-I126 HydrophobicContact CD1-CB 3.85Å; L115-I126 HydrophobicContact CD1-CD1 3.56Å; L115-I126 HydrophobicContact CD1-CG1 4.29Å; L115-I126 HydrophobicContact CD1-CG2 3.81Å; L115-Q130 HydrophobicContact CD2-CB 4.25Å; L115-Q130 HydrophobicContact CD2-CG 3.88Å; L115-A131 HydrophobicContact CD1-CB 4.04Å; L115-A131 HydrophobicContact CD2-CB 4.21Å; L115-L134 HydrophobicContact CD2-CD1 3.66Å; L115-F135 HydrophobicContact CD1-CE2 4.28Å; L115-F135 HydrophobicContact CD2-CE2 4.4Å
116A97.5Very high94.7Very high0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-70.2126.8169.800000109.3V105 F107 C127 L168 L171 A173V105-A116 HydrophobicContact CG2-CB 4.39Å; F107-A116 HydrophobicContact CE1-CB 4.38Å; A116-C127 WeakPolarHBondContact O-CB 3.38Å; A116-C127 PolarHBondContact O-N 3.06Å; A116-L168 HydrophobicContact CB-CD2 3.48Å; A116-L168 VanDerWaalsContact CB-CD2 3.48Å; A116-L171 HydrophobicContact CB-CD1 4.17Å; A116-A173 HydrophobicContact CB-CB 3.76Å
117T97.2Very high94.8Very high0 Ų051.2 Ų51.20%027%0.273CS..EExtended strand (participates in β ladder)trans-135.8139.7-164.3-52.10000109.8V105 H106 L108 L115 D124 L125 I126V105-T117 WeakPolarHBondContact CA-O 3.38Å; H106-T117 PolarHBondContact N-O 3.49Å; H106-T117 VanDerWaalsContact NE2-CG2 3.35Å; H106-T117 WeakPolarHBondContact NE2-CG2 3.24Å; H106-T117 PolarHBondContact O-N 2.95Å; L108-T117 HydrophobicContact CB-CG2 4.29Å; L108-T117 VanDerWaalsContact CB-OG1 3.27Å; L108-T117 WeakPolarHBondContact CB-OG1 3.33Å; L115-T117 PolarHBondContact O-N 3.24Å; L115-T117 PolarHBondContact O-OG1 3.41Å; T117-D124 HydrophobicContact CG2-CB 3.9Å; T117-L125 WeakPolarHBondContact CA-O 3.48Å; T117-I126 HydrophobicContact CG2-CG2 4.15Å; T117-I126 WeakPolarHBondContact OG1-CG2 3.22Å
118F96.7Very high95Very high0 Ų045.9 Ų45.90%025%0.249CC..EExtended strand (participates in β ladder)trans-119.2135.5171.8-63.9-88000109.6Q104 V105 V120 L125 Q164 I167 L168 L183Q104-F118 WeakPolarHBondContact O-CD1 3.27Å; V105-F118 HydrophobicContact CB-CD1 4.12Å; V105-F118 HydrophobicContact CB-CE1 3.64Å; V105-F118 HydrophobicContact CB-CZ 4.04Å; V105-F118 HydrophobicContact CG2-CD1 4.47Å; V105-F118 HydrophobicContact CG2-CE1 4.03Å; V105-F118 HydrophobicContact CG2-CE2 4.34Å; V105-F118 HydrophobicContact CG2-CZ 3.95Å; F118-V120 HydrophobicContact CB-CG2 4.09Å; F118-L125 PolarHBondContact N-O 2.86Å; F118-L125 PolarHBondContact O-N 2.94Å; F118-Q164 HydrophobicContact CD1-CG 4.02Å; F118-Q164 HydrophobicContact CD2-CG 4.33Å; F118-Q164 HydrophobicContact CE1-CB 4.26Å; F118-Q164 HydrophobicContact CE1-CG 3.79Å; F118-Q164 HydrophobicContact CE2-CB 3.97Å; F118-Q164 HydrophobicContact CE2-CG 4.11Å; F118-Q164 HydrophobicContact CG-CG 4.29Å; F118-Q164 HydrophobicContact CZ-CB 3.8Å; F118-Q164 HydrophobicContact CZ-CG 3.83Å; F118-I167 HydrophobicContact CE1-CD1 4.2Å; F118-I167 HydrophobicContact CE1-CG2 4.23Å; F118-I167 HydrophobicContact CZ-CB 4.18Å; F118-I167 HydrophobicContact CZ-CG2 3.93Å; F118-L168 HydrophobicContact CE2-CD1 4.03Å; F118-L168 HydrophobicContact CE2-CD2 3.93Å; F118-L168 HydrophobicContact CE2-CG 3.8Å; F118-L168 HydrophobicContact CZ-CD2 4.49Å; F118-L168 HydrophobicContact CZ-CG 4.21Å; F118-L183 HydrophobicContact CB-CD1 4.03Å; F118-L183 HydrophobicContact CD2-CD1 3.79Å; F118-L183 HydrophobicContact CD2-CD2 4.02Å; F118-L183 HydrophobicContact CE2-CD2 4.45Å; F118-L183 HydrophobicContact CG-CD1 4.29Å
119T94.2Very high95Very high44 Ų4444 Ų4427%0.2724%0.24SC..EExtended strand (participates in β ladder)trans-80.8117167-480000108.1H106 R123 D124H106-T119 PolarHBondContact CE1-OG1 2.94Å; T119-R123 WeakPolarHBondContact CA-O 3.35Å; T119-D124 WeakPolarHBondContact CB-OD1 3.35Å; T119-D124 WeakPolarHBondContact CG2-OD1 3.46Å; T119-D124 PolarHBondContact OG1-OD1 3.4Å
120V91.9Very high95.1Very high9 Ų939.1 Ų39.16%0.05522%0.218CC..EExtended strand (participates in β ladder)trans-127.2120.5-179.6179.70000109.2V96 N102 F118 G122 R123 L125 L183V96-V120 HydrophobicContact CG1-CG1 3.66Å; V96-V120 HydrophobicContact CG1-CG2 4.18Å; V96-V120 HydrophobicContact CG2-CG1 4.06Å; V96-V120 HydrophobicContact CG2-CG2 4.47Å; N102-V120 HydrophobicContact CB-CG2 4.49Å; F118-V120 HydrophobicContact CB-CG2 4.09Å; V120-G122 PolarHBondContact O-N 3.29Å; V120-R123 PolarHBondContact N-O 2.91Å; V120-R123 PolarHBondContact O-N 3.44Å; V120-R123 VanDerWaalsContact O-N 3.09Å; V120-L125 HydrophobicContact CB-CD1 3.9Å; V120-L125 HydrophobicContact CG2-CD1 4.19Å; V120-L183 HydrophobicContact CG2-CD1 4.47Å
121N87.2Confident95.2Very high125 Ų12538.4 Ų38.467%0.66822%0.215SC*.THydrogen-bonded Turntrans50.743.2-174.2-55.9-0.8000112.5R123N121-R123 VanDerWaalsContact C-N 3.29Å; N121-R123 PolarHBondContact O-N 2.87Å
122G87.2Confident95.3Very high66 Ų6633.1 Ų33.168%0.6820%0.196SC*.THydrogen-bonded Turntrans70.315.9-17900000115.6V120V120-G122 PolarHBondContact O-N 3.29Å
123R92.6Very high95.4Very high126 Ų12634.6 Ų34.648%0.47519%0.188SC..EExtended strand (participates in β ladder)trans-121.9131.3173.2-60.8-173-63.3153.42.1110.5T119 V120 N121 L125T119-R123 WeakPolarHBondContact CA-O 3.35Å; V120-R123 PolarHBondContact N-O 2.91Å; V120-R123 PolarHBondContact O-N 3.44Å; V120-R123 VanDerWaalsContact O-N 3.09Å; N121-R123 VanDerWaalsContact C-N 3.29Å; N121-R123 PolarHBondContact O-N 2.87Å; R123-L125 HydrophobicContact CB-CD2 4.4Å
124D94.9Very high95.4Very high69 Ų6937.9 Ų37.937%0.36920%0.202SC..EExtended strand (participates in β ladder)trans-78.5126174.9-61.2-41.4000110.7H106 T117 T119 P186H106-D124 IonicContact CE1-OD1 2.69Å; H106-D124 IonicContact NE2-OD1 2.81Å; T117-D124 HydrophobicContact CG2-CB 3.9Å; T119-D124 WeakPolarHBondContact CB-OD1 3.35Å; T119-D124 WeakPolarHBondContact CG2-OD1 3.46Å; T119-D124 PolarHBondContact OG1-OD1 3.4Å; D124-P186 VanDerWaalsContact O-CD 3.25Å; D124-P186 WeakPolarHBondContact O-CD 3.26Å
125L97.2Very high95.4Very high1 Ų134 Ų341%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-124.8120.1-177.3-50.6175.7000110.1T117 F118 V120 R123 V158 L183 I184 A185T117-L125 WeakPolarHBondContact CA-O 3.48Å; F118-L125 PolarHBondContact N-O 2.86Å; F118-L125 PolarHBondContact O-N 2.94Å; V120-L125 HydrophobicContact CB-CD1 3.9Å; V120-L125 HydrophobicContact CG2-CD1 4.19Å; R123-L125 HydrophobicContact CB-CD2 4.4Å; L125-V158 HydrophobicContact CD1-CB 3.99Å; L125-V158 HydrophobicContact CD1-CG1 4.18Å; L125-V158 HydrophobicContact CD1-CG2 3.77Å; L125-L183 HydrophobicContact CB-CB 3.52Å; L125-L183 HydrophobicContact CB-CD1 4.05Å; L125-L183 HydrophobicContact CB-CG 4.4Å; L125-L183 HydrophobicContact CD1-CB 4.22Å; L125-L183 HydrophobicContact CD1-CD1 4.4Å; L125-I184 CarbonylContact C-O 3.48Å; L125-I184 WeakPolarHBondContact CA-O 3.48Å; L125-A185 HydrophobicContact CD2-CB 3.96Å
126I97.7Very high95.3Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-82.8149.9-178.950.5164.3000111.8L108 L115 T117 L128 A131 L183 I184 P186 F189L108-I126 HydrophobicContact CD2-CG2 3.87Å; L115-I126 HydrophobicContact CB-CB 4.27Å; L115-I126 HydrophobicContact CB-CG2 3.94Å; L115-I126 HydrophobicContact CD1-CB 3.85Å; L115-I126 HydrophobicContact CD1-CD1 3.56Å; L115-I126 HydrophobicContact CD1-CG1 4.29Å; L115-I126 HydrophobicContact CD1-CG2 3.81Å; T117-I126 HydrophobicContact CG2-CG2 4.15Å; T117-I126 WeakPolarHBondContact OG1-CG2 3.22Å; I126-L128 PolarHBondContact O-N 3.32Å; I126-L128 VanDerWaalsContact O-N 3.1Å; I126-A131 HydrophobicContact CD1-CB 4.22Å; I126-L183 VanDerWaalsContact O-CA 3.29Å; I126-L183 WeakPolarHBondContact O-CA 3.37Å; I126-I184 HydrophobicContact CD1-CG2 4.12Å; I126-I184 HydrophobicContact CG1-CG2 3.74Å; I126-I184 WeakPolarHBondContact CG1-O 3.25Å; I126-I184 PolarHBondContact N-O 3.27Å; I126-I184 PolarHBondContact O-N 3.23Å; I126-I184 VanDerWaalsContact O-N 3.09Å; I126-P186 HydrophobicContact CG2-CG 4.2Å; I126-F189 HydrophobicContact CD1-CB 3.93Å; I126-F189 HydrophobicContact CD1-CD1 4.49Å; I126-F189 HydrophobicContact CD1-CG 4.08Å
127C97.8Very high95.1Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-62.3106.3174.5-177.20000111.8A116 Q130 A131 L168A116-C127 WeakPolarHBondContact O-CB 3.38Å; A116-C127 PolarHBondContact O-N 3.06Å; C127-Q130 HydrophobicContact CB-CB 3.83Å; C127-Q130 PolarHBondContact O-N 2.91Å; C127-A131 PolarHBondContact O-N 3.34Å; C127-L168 HydrophobicContact CB-CD1 4.48Å; C127-L168 HydrophobicContact CB-CD2 4.07Å
128L98.1Very high94.8Very high0 Ų047.8 Ų47.80%025%0.246CC..Hα-helixtrans-63.5-40.6-175.9174.862.1000113.6I126 Q130 A131 F132 V146 Y147 L150 P157 K182 I184 F189 L192I126-L128 PolarHBondContact O-N 3.32Å; I126-L128 VanDerWaalsContact O-N 3.1Å; L128-Q130 PolarHBondContact O-N 2.83Å; L128-A131 PolarHBondContact O-N 2.97Å; L128-F132 WeakPolarHBondContact O-CB 3.48Å; L128-F132 PolarHBondContact O-N 3.35Å; L128-V146 HydrophobicContact CD1-CG1 4.06Å; L128-Y147 HydrophobicContact CD2-CD1 4.33Å; L128-Y147 HydrophobicContact CD2-CE1 3.82Å; L128-L150 HydrophobicContact CD1-CD1 4.46Å; L128-L150 HydrophobicContact CD2-CD1 3.62Å; L128-P157 HydrophobicContact CD2-CB 4.03Å; L128-P157 HydrophobicContact CD2-CG 4.45Å; L128-K182 WeakPolarHBondContact CB-O 3.25Å; L128-K182 HydrophobicContact CD2-CB 4.38Å; L128-K182 PolarHBondContact N-O 2.62Å; L128-I184 HydrophobicContact CB-CB 4.42Å; L128-I184 HydrophobicContact CB-CG2 3.97Å; L128-I184 HydrophobicContact CD1-CD1 4.28Å; L128-I184 HydrophobicContact CD1-CG2 4Å; L128-I184 HydrophobicContact CG-CG2 4.48Å; L128-F189 HydrophobicContact CD1-CD2 3.86Å; L128-F189 HydrophobicContact CD1-CE2 3.89Å; L128-L192 HydrophobicContact CD1-CD2 4.21Å
129P97.1Very high94.6Very high12 Ų1251 Ų518%0.07826%0.263CS..Hα-helixtrans-60.4-41.3172.5-25.435.2000113.3F132 E133 L143 I174P129-F132 PolarHBondContact O-N 3.09Å; P129-E133 PolarHBondContact O-N 3.28Å; P129-L143 HydrophobicContact CB-CD2 4.23Å; P129-L143 HydrophobicContact CG-CD2 4.13Å; P129-I174 HydrophobicContact CB-CG2 4.14Å; P129-I174 HydrophobicContact CG-CG2 4.4Å
130Q97.3Very high94.6Very high29 Ų2949.6 Ų49.614%0.13625%0.254CS..Hα-helixtrans-65.1-46178.1-167.7-171.43.900111.1H114 L115 C127 L128 F132 E133 L134H114-Q130 PolarHBondContact O-NE2 2.59Å; L115-Q130 HydrophobicContact CD2-CB 4.25Å; L115-Q130 HydrophobicContact CD2-CG 3.88Å; C127-Q130 HydrophobicContact CB-CB 3.83Å; C127-Q130 PolarHBondContact O-N 2.91Å; L128-Q130 PolarHBondContact O-N 2.83Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 2.99Å; Q130-E133 PolarHBondContact O-N 2.99Å; Q130-L134 HydrophobicContact CG-CD1 4.15Å; Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 3.34Å
131A97.6Very high94.6Very high0 Ų053.5 Ų53.50%030%0.296CS..Hα-helixtrans-65-34.8176.600000112.3L115 I126 C127 L128 F135 F189L115-A131 HydrophobicContact CD1-CB 4.04Å; L115-A131 HydrophobicContact CD2-CB 4.21Å; I126-A131 HydrophobicContact CD1-CB 4.22Å; C127-A131 PolarHBondContact O-N 3.34Å; L128-A131 PolarHBondContact O-N 2.97Å; A131-F135 HydrophobicContact CB-CD2 4.34Å; A131-F135 WeakPolarHBondContact O-CB 3.21Å; A131-F135 WeakPolarHBondContact O-CD2 3.47Å; A131-F135 PolarHBondContact O-N 2.81Å; A131-F189 HydrophobicContact CB-CD2 4.01Å; A131-F189 HydrophobicContact CB-CE1 4.1Å; A131-F189 HydrophobicContact CB-CE2 3.48Å; A131-F189 VanDerWaalsContact CB-CE2 3.48Å; A131-F189 HydrophobicContact CB-CZ 3.53Å; A131-F189 WeakPolarHBondContact O-CZ 3.44Å
132F96.9Very high94.9Very high25 Ų2548.4 Ų48.411%0.1127%0.273CS..Iπ-helixtrans-61.7-50.6169.9158.1-100.7000111.7L128 P129 Q130 L134 L136 K137 V140 L143 V146L128-F132 WeakPolarHBondContact O-CB 3.48Å; L128-F132 PolarHBondContact O-N 3.35Å; P129-F132 PolarHBondContact O-N 3.09Å; Q130-F132 VanDerWaalsContact C-N 3.32Å; Q130-F132 PolarHBondContact O-N 2.99Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 3.32Å; F132-L136 HydrophobicContact CD2-CB 3.87Å; F132-L136 CarbonylContact O-C 3.19Å; F132-L136 PolarHBondContact O-N 3.43Å; F132-K137 HydrophobicContact CZ-CB 4.47Å; F132-K137 PolarHBondContact O-N 3.14Å; F132-V140 HydrophobicContact CD2-CG2 4.19Å; F132-V140 HydrophobicContact CE2-CG2 3.91Å; F132-L143 HydrophobicContact CB-CD1 3.71Å; F132-L143 HydrophobicContact CD1-CB 4.19Å; F132-L143 HydrophobicContact CD1-CD1 4.03Å; F132-L143 HydrophobicContact CE1-CB 4.3Å; F132-L143 HydrophobicContact CG-CB 4.49Å; F132-L143 HydrophobicContact CG-CD1 3.8Å; F132-V146 HydrophobicContact CD2-CG2 3.67Å; F132-V146 HydrophobicContact CE2-CG2 4.34Å; F132-V146 HydrophobicContact CG-CG2 4.39Å
133E95.4Very high95.3Very high87 Ų8747.2 Ų47.241%0.40725%0.251SS..Iπ-helixtrans-62.4-32.8-177.9-75.3-166.7-166.100112.9P129 Q130 Q175P129-E133 PolarHBondContact O-N 3.28Å; Q130-E133 PolarHBondContact O-N 2.99Å; E133-Q175 PolarHBondContact OE1-NE2 3.34Å
134L95.7Very high95.4Very high86 Ų8648.2 Ų48.245%0.4526%0.261SS..Iπ-helixtrans-82.6-42.2179.1-69.7169.2000114.3A113 L115 Q130 F132A113-L134 HydrophobicContact CB-CD1 4.14Å; L115-L134 HydrophobicContact CD2-CD1 3.66Å; Q130-L134 HydrophobicContact CG-CD1 4.15Å; Q130-L134 WeakPolarHBondContact O-CG 3.42Å; Q130-L134 PolarHBondContact O-N 3.34Å; F132-L134 VanDerWaalsContact C-N 3.26Å; F132-L134 PolarHBondContact O-N 3.32Å
135F96Very high95.4Very high36 Ų3647.8 Ų47.816%0.15826%0.261CS..Iπ-helixtrans-116.7-22.3-166.9-56-67.1000115.5Y110 R111 A113 L115 A131 F189 Y193Y110-F135 HydrophobicContact CD1-CD2 4.3Å; Y110-F135 AromaticContact CD1-CE2 3.65Å; Y110-F135 HydrophobicContact CD1-CE2 3.65Å; Y110-F135 AromaticContact CD1-CZ 3.97Å; Y110-F135 HydrophobicContact CD1-CZ 3.97Å; Y110-F135 HydrophobicContact CE1-CD2 4.33Å; Y110-F135 HydrophobicContact CE1-CE2 4.12Å; Y110-F135 WeakPolarHBondContact O-CZ 3.18Å; R111-F135 HydrophobicContact CB-CE1 3.87Å; R111-F135 HydrophobicContact CB-CZ 4.1Å; A113-F135 HydrophobicContact CB-CE1 4.49Å; A113-F135 HydrophobicContact CB-CZ 3.86Å; L115-F135 HydrophobicContact CD1-CE2 4.28Å; L115-F135 HydrophobicContact CD2-CE2 4.4Å; A131-F135 HydrophobicContact CB-CD2 4.34Å; A131-F135 WeakPolarHBondContact O-CB 3.21Å; A131-F135 WeakPolarHBondContact O-CD2 3.47Å; A131-F135 PolarHBondContact O-N 2.81Å; F135-F189 HydrophobicContact CB-CE1 4.13Å; F135-F189 HydrophobicContact CB-CZ 4.22Å; F135-F189 AromaticContact CD2-CE1 3.94Å; F135-F189 HydrophobicContact CD2-CE1 3.94Å; F135-F189 HydrophobicContact CD2-CZ 4.25Å; F135-F189 HydrophobicContact CG-CE1 4.37Å; F135-Y193 HydrophobicContact CB-CD2 4.25Å; F135-Y193 HydrophobicContact CB-CE2 4.13Å
136L95.7Very high95.4Very high0 Ų047.7 Ų47.70%026%0.26CS..Iπ-helixtrans-119-13.4-170.9-61.9178.6000114F132 H138 L139 V140 V146 F189 L192 Y193 C196F132-L136 HydrophobicContact CD2-CB 3.87Å; F132-L136 CarbonylContact O-C 3.19Å; F132-L136 PolarHBondContact O-N 3.43Å; L136-H138 PolarHBondContact O-N 3.03Å; L136-L139 HydrophobicContact CD2-CD1 4.15Å; L136-L139 PolarHBondContact O-N 3.26Å; L136-V140 HydrophobicContact CB-CG2 4.25Å; L136-V140 PolarHBondContact O-N 3.08Å; L136-V146 HydrophobicContact CD1-CG2 4.24Å; L136-F189 HydrophobicContact CD1-CE2 3.67Å; L136-F189 HydrophobicContact CD1-CZ 3.6Å; L136-F189 HydrophobicContact CG-CE2 4.39Å; L136-F189 HydrophobicContact CG-CZ 3.81Å; L136-L192 HydrophobicContact CD1-CD2 3.67Å; L136-L192 HydrophobicContact CD1-CG 4.01Å; L136-Y193 HydrophobicContact CD2-CD2 3.7Å; L136-Y193 HydrophobicContact CD2-CE2 4.37Å; L136-C196 HydrophobicContact CD2-CB 3.84Å
137K92.9Very high95.4Very high116 Ų11650.9 Ų50.950%0.50427%0.273SS..THydrogen-bonded Turntrans-52.9-28.3-178.9-172174.7-179.9175.80114.6F132F132-K137 HydrophobicContact CZ-CB 4.47Å; F132-K137 PolarHBondContact O-N 3.14Å
138H91.7Very high95.3Very high172 Ų17254.8 Ų54.880%0.79630%0.297SS*.THydrogen-bonded Turntrans-95.7-10.9177.2-58.7-76.9000113.9L136L136-H138 PolarHBondContact O-N 3.03Å
139L92.4Very high95.2Very high69 Ų6956.1 Ų56.136%0.36130%0.303SS..THydrogen-bonded Turntrans-103.7-25.5-178.2-61.4178.7000113L136 Y193 C196 T197L136-L139 HydrophobicContact CD2-CD1 4.15Å; L136-L139 PolarHBondContact O-N 3.26Å; L139-Y193 HydrophobicContact CD1-CE2 4.27Å; L139-C196 HydrophobicContact CB-CB 4.31Å; L139-C196 HydrophobicContact CD1-CB 4.2Å; L139-T197 HydrophobicContact CD1-CG2 3.85Å
140V93Very high95.2Very high13 Ų1355.6 Ų55.68%0.07930%0.299CS..SBendtrans-138.7134.2176.9-57.90000110.9F132 L136 G142 T145 V146 K149F132-V140 HydrophobicContact CD2-CG2 4.19Å; F132-V140 HydrophobicContact CE2-CG2 3.91Å; L136-V140 HydrophobicContact CB-CG2 4.25Å; L136-V140 PolarHBondContact O-N 3.08Å; V140-G142 PolarHBondContact O-N 3.5Å; V140-T145 HydrophobicContact CB-CG2 4.15Å; V140-T145 HydrophobicContact CG1-CG2 4.35Å; V140-V146 HydrophobicContact CG2-CG2 3.61Å; V140-K149 HydrophobicContact CG1-CD 4.22Å
141G91.3Very high95.1Very high91 Ų9162.3 Ų62.394%0.93833%0.328SS*.SBendtrans-67.712.7-173.600000116.9
142G94.8Very high95Very high18 Ų1869.3 Ų69.319%0.18635%0.354CS..  trans160.8160.8174.700000114.8V140 H144 T145 V146V140-G142 PolarHBondContact O-N 3.5Å; G142-H144 PolarHBondContact O-N 3.41Å; G142-H144 VanDerWaalsContact O-N 3.17Å; G142-T145 WeakPolarHBondContact O-CB 3.5Å; G142-T145 PolarHBondContact O-N 2.68Å; G142-V146 PolarHBondContact O-N 3.34Å
143L95.4Very high95Very high41 Ų4170.2 Ų70.222%0.21536%0.36CS..Hα-helixtrans-61.3-22.6178.9-167.967.2000113.3P129 F132 V146 Y147P129-L143 HydrophobicContact CB-CD2 4.23Å; P129-L143 HydrophobicContact CG-CD2 4.13Å; F132-L143 HydrophobicContact CB-CD1 3.71Å; F132-L143 HydrophobicContact CD1-CB 4.19Å; F132-L143 HydrophobicContact CD1-CD1 4.03Å; F132-L143 HydrophobicContact CE1-CB 4.3Å; F132-L143 HydrophobicContact CG-CB 4.49Å; F132-L143 HydrophobicContact CG-CD1 3.8Å; L143-V146 HydrophobicContact CD1-CB 4.26Å; L143-V146 HydrophobicContact CD1-CG1 4.43Å; L143-V146 HydrophobicContact CD1-CG2 4.44Å; L143-V146 WeakPolarHBondContact O-CB 3.3Å; L143-V146 PolarHBondContact O-N 2.96Å; L143-Y147 HydrophobicContact CD2-CE2 4.16Å; L143-Y147 WeakPolarHBondContact CD2-OH 3.48Å; L143-Y147 HydrophobicContact CG-CE1 4.4Å; L143-Y147 HydrophobicContact CG-CE2 3.9Å; L143-Y147 VanDerWaalsContact O-CD2 3.29Å; L143-Y147 WeakPolarHBondContact O-CD2 3.28Å; L143-Y147 PolarHBondContact O-N 2.85Å; L143-Y147 VanDerWaalsContact O-N 3.1Å
144H94.7Very high95.1Very high147 Ų14773 Ų7368%0.68138%0.378SS*.Hα-helixtrans-61.6-46.8171.2-175.1-93.8000111.7G142 V146 Y147 T148G142-H144 PolarHBondContact O-N 3.41Å; G142-H144 VanDerWaalsContact O-N 3.17Å; H144-V146 VanDerWaalsContact C-N 3.26Å; H144-V146 PolarHBondContact O-N 3.39Å; H144-Y147 PolarHBondContact O-N 2.93Å; H144-Y147 VanDerWaalsContact O-N 3.09Å; H144-T148 PolarHBondContact O-N 3.49Å; H144-T148 PolarHBondContact O-OG1 3.35Å
145T95.7Very high95.1Very high60 Ų6069.8 Ų69.837%0.36836%0.361SS..Hα-helixtrans-63.1-33.7176.6-51.10000111.7V140 G142 T148 K149V140-T145 HydrophobicContact CB-CG2 4.15Å; V140-T145 HydrophobicContact CG1-CG2 4.35Å; G142-T145 WeakPolarHBondContact O-CB 3.5Å; G142-T145 PolarHBondContact O-N 2.68Å; T145-T148 PolarHBondContact O-N 3.41Å; T145-K149 PolarHBondContact O-N 3.43Å
146V97Very high95.1Very high0 Ų073.8 Ų73.80%038%0.382CS..Hα-helixtrans-60.4-47.9171175.20000111.1L128 F132 L136 V140 G142 L143 H144 T148 K149 L150 L192L128-V146 HydrophobicContact CD1-CG1 4.06Å; F132-V146 HydrophobicContact CD2-CG2 3.67Å; F132-V146 HydrophobicContact CE2-CG2 4.34Å; F132-V146 HydrophobicContact CG-CG2 4.39Å; L136-V146 HydrophobicContact CD1-CG2 4.24Å; V140-V146 HydrophobicContact CG2-CG2 3.61Å; G142-V146 PolarHBondContact O-N 3.34Å; L143-V146 HydrophobicContact CD1-CB 4.26Å; L143-V146 HydrophobicContact CD1-CG1 4.43Å; L143-V146 HydrophobicContact CD1-CG2 4.44Å; L143-V146 WeakPolarHBondContact O-CB 3.3Å; L143-V146 PolarHBondContact O-N 2.96Å; H144-V146 VanDerWaalsContact C-N 3.26Å; H144-V146 PolarHBondContact O-N 3.39Å; V146-T148 VanDerWaalsContact C-N 3.32Å; V146-T148 PolarHBondContact O-N 2.96Å; V146-K149 PolarHBondContact O-N 3.41Å; V146-L150 HydrophobicContact CG1-CD1 3.87Å; V146-L150 HydrophobicContact CG1-CG 4.34Å; V146-L150 WeakPolarHBondContact O-CG 3.25Å; V146-L150 PolarHBondContact O-N 2.99Å; V146-L192 HydrophobicContact CG1-CD1 4.39Å; V146-L192 HydrophobicContact CG1-CD2 3.64Å
147Y97Very high95.2Very high67 Ų6774.3 Ų74.326%0.26339%0.386SS..Hα-helixtrans-63.3-36.1177.5-61.6-41.1000112.9L128 L143 H144 L150 K151 K182L128-Y147 HydrophobicContact CD2-CD1 4.33Å; L128-Y147 HydrophobicContact CD2-CE1 3.82Å; L143-Y147 HydrophobicContact CD2-CE2 4.16Å; L143-Y147 WeakPolarHBondContact CD2-OH 3.48Å; L143-Y147 HydrophobicContact CG-CE1 4.4Å; L143-Y147 HydrophobicContact CG-CE2 3.9Å; L143-Y147 VanDerWaalsContact O-CD2 3.29Å; L143-Y147 WeakPolarHBondContact O-CD2 3.28Å; L143-Y147 PolarHBondContact O-N 2.85Å; L143-Y147 VanDerWaalsContact O-N 3.1Å; H144-Y147 PolarHBondContact O-N 2.93Å; H144-Y147 VanDerWaalsContact O-N 3.09Å; Y147-L150 HydrophobicContact CD1-CD1 4.42Å; Y147-K151 PolarHBondContact O-N 3.43Å; Y147-K151 VanDerWaalsContact O-N 3.09Å; Y147-K182 HydrophobicContact CD1-CD 4.48Å; Y147-K182 HydrophobicContact CE1-CD 3.82Å; Y147-K182 HydrophobicContact CE1-CG 4.43Å
148T95.5Very high95.3Very high82 Ų8270.2 Ų70.250%0.50337%0.37SS..Hα-helixtrans-65.7-42.3173-510000112.1H144 T145 V146 K151 R152H144-T148 PolarHBondContact O-N 3.49Å; H144-T148 PolarHBondContact O-OG1 3.35Å; T145-T148 PolarHBondContact O-N 3.41Å; V146-T148 VanDerWaalsContact C-N 3.32Å; V146-T148 PolarHBondContact O-N 2.96Å; T148-K151 PolarHBondContact O-N 2.85Å; T148-R152 PolarHBondContact O-N 3.39Å
149K95.8Very high95.5Very high28 Ų2863.5 Ų63.512%0.12234%0.342CS..Hα-helixtrans-62.3-47174.6-84178.7166.8-86.50111.7V140 T145 V146 K151 R152 L153 L192 D195 C196 S199V140-K149 HydrophobicContact CG1-CD 4.22Å; T145-K149 PolarHBondContact O-N 3.43Å; V146-K149 PolarHBondContact O-N 3.41Å; K149-K151 VanDerWaalsContact C-N 3.32Å; K149-K151 PolarHBondContact O-N 2.86Å; K149-R152 PolarHBondContact O-N 3.04Å; K149-L153 WeakPolarHBondContact O-CG 3.44Å; K149-L153 PolarHBondContact O-N 2.79Å; K149-L192 HydrophobicContact CB-CD1 3.83Å; K149-L192 HydrophobicContact CD-CD1 4.43Å; K149-D195 WeakPolarHBondContact CD-OD2 3.38Å; K149-D195 PolarHBondContact NZ-O 3.47Å; K149-D195 IonicContact NZ-OD2 2.68Å; K149-D195 PolarHBondContact NZ-OD2 2.93Å; K149-C196 VanDerWaalsContact CD-SG 3.56Å; K149-S199 PolarHBondContact NZ-OG 2.84Å; K149-S199 VanDerWaalsContact NZ-OG 3.1Å
150L97.5Very high95.7Very high1 Ų160.7 Ų60.71%0.00533%0.328CS..Hα-helixtrans-57.3-43177.1-71.8169.6000112.2L128 V146 Y147 R152 L153 D154 I155 P157 I184 L192L128-L150 HydrophobicContact CD1-CD1 4.46Å; L128-L150 HydrophobicContact CD2-CD1 3.62Å; V146-L150 HydrophobicContact CG1-CD1 3.87Å; V146-L150 HydrophobicContact CG1-CG 4.34Å; V146-L150 WeakPolarHBondContact O-CG 3.25Å; V146-L150 PolarHBondContact O-N 2.99Å; Y147-L150 HydrophobicContact CD1-CD1 4.42Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 PolarHBondContact O-N 2.73Å; L150-L153 PolarHBondContact O-N 3.37Å; L150-L153 VanDerWaalsContact O-N 3.14Å; L150-D154 PolarHBondContact O-N 3.49Å; L150-I155 HydrophobicContact CD2-CB 3.76Å; L150-I155 HydrophobicContact CD2-CD1 4.09Å; L150-I155 HydrophobicContact CD2-CG2 3.67Å; L150-I155 PolarHBondContact O-N 3.37Å; L150-I155 VanDerWaalsContact O-N 3.07Å; L150-P157 HydrophobicContact CD1-CB 4.39Å; L150-P157 HydrophobicContact CD1-CG 3.97Å; L150-I184 HydrophobicContact CD1-CD1 4.32Å; L150-I184 HydrophobicContact CD2-CD1 3.62Å; L150-L192 HydrophobicContact CD1-CD2 4.45Å; L150-L192 HydrophobicContact CD2-CB 4.15Å; L150-L192 HydrophobicContact CD2-CD1 4.16Å; L150-L192 HydrophobicContact CD2-CD2 4.01Å; L150-L192 HydrophobicContact CD2-CG 4.32Å; L150-L192 HydrophobicContact CG-CD1 4.18Å; L150-L192 HydrophobicContact CG-CD2 4.24Å
151K96.1Very high95.7Very high169 Ų16960.4 Ų60.474%0.73533%0.325SS*.Hα-helixtrans-60.8-32.6174.1-170.8-174.6175.9-169.80113.2Y147 T148 K149Y147-K151 PolarHBondContact O-N 3.43Å; Y147-K151 VanDerWaalsContact O-N 3.09Å; T148-K151 PolarHBondContact O-N 2.85Å; K149-K151 VanDerWaalsContact C-N 3.32Å; K149-K151 PolarHBondContact O-N 2.86Å
152R95.6Very high95.9Very high147 Ų14760.7 Ų60.756%0.55531%0.309SS*.Hα-helixtrans-82.1-16.7177.6-168-176.158.173.3-0113.3T148 K149 L150 D195T148-R152 PolarHBondContact O-N 3.39Å; K149-R152 PolarHBondContact O-N 3.04Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 PolarHBondContact O-N 2.73Å; R152-D195 IonicContact CZ-OD1 2.76Å; R152-D195 IonicContact NH1-OD1 3.01Å; R152-D195 IonicContact NH2-OD1 2.66Å; R152-D195 PolarHBondContact NH2-OD1 2.92Å; R152-D195 IonicContact NH2-OD2 2.86Å; R152-D195 PolarHBondContact NH2-OD2 2.86Å
153L96.3Very high95.9Very high44 Ų4463.1 Ų63.123%0.2332%0.315CS..THydrogen-bonded Turntrans-96.45.3176.6-64.1166.7000112.1K149 L150 I155 I191 L192 D195K149-L153 WeakPolarHBondContact O-CG 3.44Å; K149-L153 PolarHBondContact O-N 2.79Å; L150-L153 PolarHBondContact O-N 3.37Å; L150-L153 VanDerWaalsContact O-N 3.14Å; L153-I155 HydrophobicContact CB-CD1 3.96Å; L153-I155 HydrophobicContact CB-CG1 4Å; L153-I155 HydrophobicContact CD1-CD1 4.37Å; L153-I155 PolarHBondContact O-N 3.06Å; L153-I155 VanDerWaalsContact O-N 3.13Å; L153-I191 HydrophobicContact CD1-CG2 4.5Å; L153-I191 HydrophobicContact CD2-CG2 4.43Å; L153-L192 HydrophobicContact CD1-CB 4.48Å; L153-L192 HydrophobicContact CD1-CD1 4.26Å; L153-D195 HydrophobicContact CD1-CB 3.78Å; L153-D195 HydrophobicContact CD2-CB 4.07Å; L153-D195 HydrophobicContact CG-CB 4.49Å
154D96.9Very high95.9Very high147 Ų14761.1 Ų61.179%0.78631%0.305SS*.THydrogen-bonded Turntrans54.223.2-171.9-62.5-50.1000114.7L150L150-D154 PolarHBondContact O-N 3.49Å
155I97Very high96Very high17 Ų1754.6 Ų54.69%0.08728%0.276CS..  trans-88.9122.1176.9-59.7173.6000109.2L150 L153 P157 I184 E188 I191L150-I155 HydrophobicContact CD2-CB 3.76Å; L150-I155 HydrophobicContact CD2-CD1 4.09Å; L150-I155 HydrophobicContact CD2-CG2 3.67Å; L150-I155 PolarHBondContact O-N 3.37Å; L150-I155 VanDerWaalsContact O-N 3.07Å; L153-I155 HydrophobicContact CB-CD1 3.96Å; L153-I155 HydrophobicContact CB-CG1 4Å; L153-I155 HydrophobicContact CD1-CD1 4.37Å; L153-I155 PolarHBondContact O-N 3.06Å; L153-I155 VanDerWaalsContact O-N 3.13Å; I155-P157 WeakPolarHBondContact O-CD 3.44Å; I155-I184 HydrophobicContact CG2-CD1 4.17Å; I155-I184 HydrophobicContact CG2-CG1 4.44Å; I155-E188 HydrophobicContact CD1-CB 4.26Å; I155-E188 WeakPolarHBondContact CD1-O 3.44Å; I155-E188 HydrophobicContact CG2-CB 3.87Å; I155-E188 HydrophobicContact CG2-CG 4.04Å; I155-I191 HydrophobicContact CD1-CB 4.12Å; I155-I191 HydrophobicContact CD1-CG2 4Å
156I95.8Very high96Very high120 Ų12058.4 Ų58.462%0.61528%0.283SS*.  trans-104.592.8-178.5-57.3-178.9000109.6P93 V158P93-I156 HydrophobicContact CB-CG2 4.4Å; P93-I156 HydrophobicContact CG-CG2 3.37Å; I156-V158 PolarHBondContact O-N 3.48Å
157P96.2Very high96Very high11 Ų1160.3 Ų60.37%0.07129%0.293CS..PPolyproline II helixtrans-67.2134.3179.428.8-37.6000111.6L128 L150 I155 K182 L183L128-P157 HydrophobicContact CD2-CB 4.03Å; L128-P157 HydrophobicContact CD2-CG 4.45Å; L150-P157 HydrophobicContact CD1-CB 4.39Å; L150-P157 HydrophobicContact CD1-CG 3.97Å; I155-P157 WeakPolarHBondContact O-CD 3.44Å; P157-K182 HydrophobicContact CB-CB 4.26Å; P157-K182 HydrophobicContact CB-CD 4Å; P157-K182 HydrophobicContact CG-CD 3.72Å; P157-L183 CarbonylContact C-O 3.55Å; P157-L183 WeakPolarHBondContact CA-O 3.44Å; P157-L183 WeakPolarHBondContact CB-O 3.44Å
158V95.7Very high96Very high30 Ų3057.1 Ų57.118%0.18228%0.28CS..EExtended strand (participates in β ladder)trans-68.9135.8-176.1173.40000110.6V96 L125 I156 K182 L183V96-V158 HydrophobicContact CG2-CG1 3.26Å; L125-V158 HydrophobicContact CD1-CB 3.99Å; L125-V158 HydrophobicContact CD1-CG1 4.18Å; L125-V158 HydrophobicContact CD1-CG2 3.77Å; I156-V158 PolarHBondContact O-N 3.48Å; V158-K182 CarbonylContact O-C 3.14Å; V158-K182 WeakPolarHBondContact O-CA 3.33Å; V158-K182 WeakPolarHBondContact O-CB 3.32Å; V158-L183 HydrophobicContact CB-CB 4.49Å; V158-L183 PolarHBondContact N-O 3.08Å; V158-L183 PolarHBondContact O-N 3Å
159V96.1Very high96Very high32 Ų3256.7 Ų56.719%0.19427%0.269CS..EExtended strand (participates in β ladder)trans-86.1122.8179.8-178.50000110T92 P95 V96T92-V159 HydrophobicContact CG2-CG2 4.45Å; P95-V159 HydrophobicContact CB-CG1 4.38Å; V96-V159 PolarHBondContact N-O 2.85Å
160C96.3Very high96Very high10 Ų1057.1 Ų57.17%0.06828%0.282CS..PPolyproline II helixtrans-61.9144.6178.8-59.90000111.9Q164 V165 C181 L183C160-Q164 VanDerWaalsContact CA-OE1 3.3Å; C160-Q164 HydrophobicContact CB-CB 4.1Å; C160-V165 HydrophobicContact CB-CG2 3.73Å; C160-C181 HydrophobicContact CB-CB 4.08Å; C160-C181 PolarHBondContact N-O 2.84Å; C160-C181 VanDerWaalsContact SG-CB 3.55Å; C160-C181 PolarHBondContact SG-O 3.27Å; C160-L183 VanDerWaalsContact SG-CD2 3.56Å; C160-L183 VanDerWaalsContact SG-CG 3.57Å
161N94.2Very high95.8Very high6 Ų659.9 Ų59.93%0.03230%0.297CS..PPolyproline II helixtrans-76.2172.116676.139.4000111.4V96 N98 N103 E163 Q164 V165V96-N161 WeakPolarHBondContact O-CB 3.2Å; N98-N161 VanDerWaalsContact OD1-CB 3.3Å; N98-N161 WeakPolarHBondContact OD1-CB 3.36Å; N98-N161 PolarHBondContact OD1-ND2 3.28Å; N98-N161 PolarHBondContact OD1-OD1 2.82Å; N103-N161 PolarHBondContact OD1-ND2 2.84Å; N161-E163 VanDerWaalsContact C-N 3.28Å; N161-E163 PolarHBondContact O-N 3.27Å; N161-E163 WeakPolarHBondContact OD1-CA 3.33Å; N161-E163 PolarHBondContact OD1-N 3.25Å; N161-Q164 WeakPolarHBondContact OD1-CG 3.3Å; N161-Q164 PolarHBondContact OD1-N 3.43Å; N161-V165 WeakPolarHBondContact O-CG2 3.16Å; N161-V165 PolarHBondContact O-N 2.97Å; N161-V165 VanDerWaalsContact O-N 3.1Å
162V94.5Very high95.7Very high97 Ų9753.9 Ų53.959%0.58828%0.282SS*.Hα-helixtrans-64.6-33.5-174.9179.40000111.9V165 R166V162-V165 PolarHBondContact O-N 3.44Å; V162-R166 WeakPolarHBondContact O-CG 3.42Å; V162-R166 PolarHBondContact O-N 3.01Å; V162-R166 VanDerWaalsContact O-N 3.08Å
163E94.6Very high95.7Very high69 Ų6947.5 Ų47.532%0.32226%0.261SS..Hα-helixtrans-76.7-43.4-178.4-156.355.5-136.200111.7N161 V165 R166 I167N161-E163 VanDerWaalsContact C-N 3.28Å; N161-E163 PolarHBondContact O-N 3.27Å; N161-E163 WeakPolarHBondContact OD1-CA 3.33Å; N161-E163 PolarHBondContact OD1-N 3.25Å; E163-V165 PolarHBondContact O-N 2.87Å; E163-R166 WeakPolarHBondContact O-CA 3.48Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 2.89Å; E163-R166 VanDerWaalsContact OE2-CD 3.25Å; E163-R166 WeakPolarHBondContact OE2-CD 3.18Å; E163-R166 IonicContact OE2-CZ 2.65Å; E163-R166 IonicContact OE2-NE 2.58Å; E163-R166 IonicContact OE2-NH1 3.72Å; E163-R166 PolarHBondContact OE2-NH1 2.91Å; E163-I167 HydrophobicContact CG-CD1 4.2Å; E163-I167 WeakPolarHBondContact O-CB 3.24Å; E163-I167 VanDerWaalsContact O-CG1 3.28Å; E163-I167 WeakPolarHBondContact O-CG1 3.25Å; E163-I167 PolarHBondContact O-N 3.05Å
164Q95.6Very high95.7Very high0 Ų045.8 Ų45.80%025%0.252CS..Hα-helixtrans-53.9-40.8169.2-69.3171.2-22.400111.5N102 F118 C160 N161 L168N102-Q164 PolarHBondContact O-NE2 2.93Å; F118-Q164 HydrophobicContact CD1-CG 4.02Å; F118-Q164 HydrophobicContact CD2-CG 4.33Å; F118-Q164 HydrophobicContact CE1-CB 4.26Å; F118-Q164 HydrophobicContact CE1-CG 3.79Å; F118-Q164 HydrophobicContact CE2-CB 3.97Å; F118-Q164 HydrophobicContact CE2-CG 4.11Å; F118-Q164 HydrophobicContact CG-CG 4.29Å; F118-Q164 HydrophobicContact CZ-CB 3.8Å; F118-Q164 HydrophobicContact CZ-CG 3.83Å; C160-Q164 VanDerWaalsContact CA-OE1 3.3Å; C160-Q164 HydrophobicContact CB-CB 4.1Å; N161-Q164 WeakPolarHBondContact OD1-CG 3.3Å; N161-Q164 PolarHBondContact OD1-N 3.43Å; Q164-L168 WeakPolarHBondContact O-CB 3.42Å; Q164-L168 VanDerWaalsContact O-CG 3.25Å; Q164-L168 WeakPolarHBondContact O-CG 3.29Å; Q164-L168 PolarHBondContact O-N 3.37Å
165V96.7Very high95.5Very high10 Ų1044.5 Ų44.56%0.06124%0.241CC..Hα-helixtrans-65.9-38.5174.6170.80000112.4C160 N161 V162 E163 R169 I174 V178 C181C160-V165 HydrophobicContact CB-CG2 3.73Å; N161-V165 WeakPolarHBondContact O-CG2 3.16Å; N161-V165 PolarHBondContact O-N 2.97Å; N161-V165 VanDerWaalsContact O-N 3.1Å; V162-V165 PolarHBondContact O-N 3.44Å; E163-V165 PolarHBondContact O-N 2.87Å; V165-R169 WeakPolarHBondContact O-CG 3.36Å; V165-R169 PolarHBondContact O-N 3.46Å; V165-I174 HydrophobicContact CG1-CD1 4.29Å; V165-V178 WeakPolarHBondContact CG1-O 3.27Å; V165-C181 HydrophobicContact CG2-CB 3.94Å
166R96Very high95.3Very high139 Ų13948.9 Ų48.953%0.52527%0.271SS..Hα-helixtrans-64.9-48.8174.3-73.3164.1171.1165.8-5.2111.4V162 E163 L168 R169 G170V162-R166 WeakPolarHBondContact O-CG 3.42Å; V162-R166 PolarHBondContact O-N 3.01Å; V162-R166 VanDerWaalsContact O-N 3.08Å; E163-R166 WeakPolarHBondContact O-CA 3.48Å; E163-R166 WeakPolarHBondContact O-CB 3.43Å; E163-R166 PolarHBondContact O-N 2.89Å; E163-R166 VanDerWaalsContact OE2-CD 3.25Å; E163-R166 WeakPolarHBondContact OE2-CD 3.18Å; E163-R166 IonicContact OE2-CZ 2.65Å; E163-R166 IonicContact OE2-NE 2.58Å; E163-R166 IonicContact OE2-NH1 3.72Å; E163-R166 PolarHBondContact OE2-NH1 2.91Å; R166-L168 PolarHBondContact O-N 2.97Å; R166-R169 PolarHBondContact O-N 3.3Å; R166-G170 PolarHBondContact O-N 2.98Å
167I95.9Very high95.2Very high40 Ų4046.1 Ų46.121%0.20527%0.272CS..Hα-helixtrans-57.4-48.9179.2-68.3164.9000110.6N103 V105 F118 E163 R169 G170 L171N103-I167 HydrophobicContact CB-CD1 4.48Å; V105-I167 HydrophobicContact CB-CG2 3.81Å; V105-I167 HydrophobicContact CG1-CG2 3.58Å; V105-I167 HydrophobicContact CG2-CG2 4.14Å; F118-I167 HydrophobicContact CE1-CD1 4.2Å; F118-I167 HydrophobicContact CE1-CG2 4.23Å; F118-I167 HydrophobicContact CZ-CB 4.18Å; F118-I167 HydrophobicContact CZ-CG2 3.93Å; E163-I167 HydrophobicContact CG-CD1 4.2Å; E163-I167 WeakPolarHBondContact O-CB 3.24Å; E163-I167 VanDerWaalsContact O-CG1 3.28Å; E163-I167 WeakPolarHBondContact O-CG1 3.25Å; E163-I167 PolarHBondContact O-N 3.05Å; I167-R169 VanDerWaalsContact C-N 3.29Å; I167-R169 PolarHBondContact O-N 2.99Å; I167-G170 PolarHBondContact O-N 2.97Å; I167-L171 HydrophobicContact CG2-CD1 4.24Å; I167-L171 WeakPolarHBondContact O-CG 3.32Å; I167-L171 PolarHBondContact O-N 3.42Å
168L97.3Very high95.1Very high0 Ų047.5 Ų47.50%028%0.28CS..Hα-helixtrans-62.1-31.7178.8-72172.6000113.6A116 F118 C127 Q164 R166 G172 A173 I174 C181 L183A116-L168 HydrophobicContact CB-CD2 3.48Å; A116-L168 VanDerWaalsContact CB-CD2 3.48Å; F118-L168 HydrophobicContact CE2-CD1 4.03Å; F118-L168 HydrophobicContact CE2-CD2 3.93Å; F118-L168 HydrophobicContact CE2-CG 3.8Å; F118-L168 HydrophobicContact CZ-CD2 4.49Å; F118-L168 HydrophobicContact CZ-CG 4.21Å; C127-L168 HydrophobicContact CB-CD1 4.48Å; C127-L168 HydrophobicContact CB-CD2 4.07Å; Q164-L168 WeakPolarHBondContact O-CB 3.42Å; Q164-L168 VanDerWaalsContact O-CG 3.25Å; Q164-L168 WeakPolarHBondContact O-CG 3.29Å; Q164-L168 PolarHBondContact O-N 3.37Å; R166-L168 PolarHBondContact O-N 2.97Å; L168-G172 PolarHBondContact O-N 3.35Å; L168-A173 HydrophobicContact CB-CB 4.5Å; L168-A173 HydrophobicContact CD2-CB 3.87Å; L168-A173 PolarHBondContact O-N 2.76Å; L168-I174 HydrophobicContact CB-CD1 3.71Å; L168-I174 HydrophobicContact CB-CG1 3.81Å; L168-I174 HydrophobicContact CB-CG2 4.46Å; L168-I174 HydrophobicContact CD1-CD1 4.42Å; L168-I174 PolarHBondContact O-N 3.25Å; L168-C181 HydrophobicContact CD1-CB 4.25Å; L168-C181 VanDerWaalsContact CD1-SG 3.59Å; L168-L183 HydrophobicContact CD1-CD2 4.45Å
169R96.6Very high95.1Very high73 Ų7350.8 Ų50.828%0.27530%0.297SS..Hα-helixtrans-71.1-41.7171-68.6177.2-159.8-177.820.1111.9V165 R166 I167 L171 G172 I174 P176 V178 N179V165-R169 WeakPolarHBondContact O-CG 3.36Å; V165-R169 PolarHBondContact O-N 3.46Å; R166-R169 PolarHBondContact O-N 3.3Å; I167-R169 VanDerWaalsContact C-N 3.29Å; I167-R169 PolarHBondContact O-N 2.99Å; R169-L171 PolarHBondContact O-N 3.22Å; R169-G172 PolarHBondContact O-N 3.16Å; R169-I174 HydrophobicContact CG-CD1 4.07Å; R169-I174 HydrophobicContact CG-CG1 3.75Å; R169-P176 WeakPolarHBondContact CD-O 3.23Å; R169-P176 PolarHBondContact NE-O 3.31Å; R169-P176 PolarHBondContact NH1-O 2.9Å; R169-V178 VanDerWaalsContact CZ-O 3.31Å; R169-V178 PolarHBondContact NE-O 3.06Å; R169-V178 VanDerWaalsContact NE-O 3.14Å; R169-V178 PolarHBondContact NH2-O 2.7Å; R169-N179 PolarHBondContact NH2-OD1 2.84Å
170G94.7Very high95Very high37 Ų3760 Ų6038%0.38133%0.328SS..Hα-helixtrans-60.5-34.6177.300000112.9R166 I167 G172R166-G170 PolarHBondContact O-N 2.98Å; I167-G170 PolarHBondContact O-N 2.97Å; G170-G172 VanDerWaalsContact C-N 3.33Å
171L93.9Very high95.1Very high60 Ų6059.7 Ų59.731%0.31433%0.325SS..THydrogen-bonded Turntrans-80.6-5.3172.9-64179.9000114.4V105 F107 A116 I167 R169 A173V105-L171 HydrophobicContact CB-CD1 4.42Å; V105-L171 HydrophobicContact CG1-CD1 3.96Å; V105-L171 HydrophobicContact CG2-CD1 3.62Å; F107-L171 HydrophobicContact CZ-CD1 4.19Å; F107-L171 HydrophobicContact CZ-CD2 4.23Å; A116-L171 HydrophobicContact CB-CD1 4.17Å; I167-L171 HydrophobicContact CG2-CD1 4.24Å; I167-L171 WeakPolarHBondContact O-CG 3.32Å; I167-L171 PolarHBondContact O-N 3.42Å; R169-L171 PolarHBondContact O-N 3.22Å; L171-A173 HydrophobicContact CB-CB 4.46Å; L171-A173 PolarHBondContact O-N 2.98Å
172G94.8Very high95.2Very high42 Ų4261.1 Ų61.143%0.43333%0.332SS..THydrogen-bonded Turntrans68.57.2-173.100000115.1L168 R169 G170 I174L168-G172 PolarHBondContact O-N 3.35Å; R169-G172 PolarHBondContact O-N 3.16Å; G170-G172 VanDerWaalsContact C-N 3.33Å; G172-I174 PolarHBondContact O-N 2.92Å
173A95.1Very high95.4Very high13 Ų1356.5 Ų56.511%0.10730%0.304CS..SBendtrans-70.6-18.318000000113.4A116 L168 L171A116-A173 HydrophobicContact CB-CB 3.76Å; L168-A173 HydrophobicContact CB-CB 4.5Å; L168-A173 HydrophobicContact CD2-CB 3.87Å; L168-A173 PolarHBondContact O-N 2.76Å; L171-A173 HydrophobicContact CB-CB 4.46Å; L171-A173 PolarHBondContact O-N 2.98Å
174I95.9Very high95.5Very high9 Ų953.2 Ų53.25%0.04629%0.288CS..SBendtrans-137.7150.8166.564.8-175.6000110.1P129 V165 L168 R169 G172 V178 C181P129-I174 HydrophobicContact CB-CG2 4.14Å; P129-I174 HydrophobicContact CG-CG2 4.4Å; V165-I174 HydrophobicContact CG1-CD1 4.29Å; L168-I174 HydrophobicContact CB-CD1 3.71Å; L168-I174 HydrophobicContact CB-CG1 3.81Å; L168-I174 HydrophobicContact CB-CG2 4.46Å; L168-I174 HydrophobicContact CD1-CD1 4.42Å; L168-I174 PolarHBondContact O-N 3.25Å; R169-I174 HydrophobicContact CG-CD1 4.07Å; R169-I174 HydrophobicContact CG-CG1 3.75Å; G172-I174 PolarHBondContact O-N 2.92Å; I174-V178 HydrophobicContact CB-CB 4.17Å; I174-V178 HydrophobicContact CB-CG1 4.29Å; I174-V178 HydrophobicContact CB-CG2 4.38Å; I174-V178 HydrophobicContact CD1-CB 4.1Å; I174-V178 HydrophobicContact CD1-CG1 3.97Å; I174-V178 HydrophobicContact CG1-CB 4.24Å; I174-V178 HydrophobicContact CG1-CG1 4.49Å; I174-C181 HydrophobicContact CD1-CB 4.08Å
175Q93.5Very high95.6Very high120 Ų12053.5 Ų53.556%0.56129%0.291SS*.  trans-63.6148.9-178.6-54.5176.719.400111.8E133 G177 V178E133-Q175 PolarHBondContact OE1-NE2 3.34Å; Q175-G177 PolarHBondContact O-N 3.23Å; Q175-V178 HydrophobicContact CB-CG2 4.04Å; Q175-V178 WeakPolarHBondContact O-CB 3.36Å; Q175-V178 WeakPolarHBondContact O-CG2 3.37Å; Q175-V178 PolarHBondContact O-N 3.02Å
176P93.2Very high95.6Very high109 Ų10953.9 Ų53.971%0.70829%0.293SS*.THydrogen-bonded Turntrans-56.3-25.2-173.9-29.736.4000116.4R169R169-P176 WeakPolarHBondContact CD-O 3.23Å; R169-P176 PolarHBondContact NE-O 3.31Å; R169-P176 PolarHBondContact NH1-O 2.9Å
177G92.9Very high95.6Very high61 Ų6153.7 Ų53.763%0.62930%0.298SS*.THydrogen-bonded Turntrans-82.3-6.1176.500000115.6Q175 N179Q175-G177 PolarHBondContact O-N 3.23Å; G177-N179 PolarHBondContact O-N 3.42Å; G177-N179 PolarHBondContact O-ND2 2.85Å
178V93.6Very high95.7Very high41 Ų4154 Ų5425%0.24830%0.299CS..  trans-76.495.6-173.4179.10000110.8V165 R169 I174 Q175 R180V165-V178 WeakPolarHBondContact CG1-O 3.27Å; R169-V178 VanDerWaalsContact CZ-O 3.31Å; R169-V178 PolarHBondContact NE-O 3.06Å; R169-V178 VanDerWaalsContact NE-O 3.14Å; R169-V178 PolarHBondContact NH2-O 2.7Å; I174-V178 HydrophobicContact CB-CB 4.17Å; I174-V178 HydrophobicContact CB-CG1 4.29Å; I174-V178 HydrophobicContact CB-CG2 4.38Å; I174-V178 HydrophobicContact CD1-CB 4.1Å; I174-V178 HydrophobicContact CD1-CG1 3.97Å; I174-V178 HydrophobicContact CG1-CB 4.24Å; I174-V178 HydrophobicContact CG1-CG1 4.49Å; Q175-V178 HydrophobicContact CB-CG2 4.04Å; Q175-V178 WeakPolarHBondContact O-CB 3.36Å; Q175-V178 WeakPolarHBondContact O-CG2 3.37Å; Q175-V178 PolarHBondContact O-N 3.02Å; V178-R180 VanDerWaalsContact CG1-O 3.3Å; V178-R180 WeakPolarHBondContact CG1-O 3.49Å
179N95.4Very high95.7Very high99 Ų9954 Ų5453%0.52930%0.299SS..  trans-81.9-6.2179.2-70.2-45.8000114.9R169 G177R169-N179 PolarHBondContact NH2-OD1 2.84Å; G177-N179 PolarHBondContact O-N 3.42Å; G177-N179 PolarHBondContact O-ND2 2.85Å
180R95.2Very high95.7Very high225 Ų22553.6 Ų53.685%0.84930%0.302SS*.  trans-141.6119.1177.9-64.3-178.7-179.9172.3-0.8109.2V178V178-R180 VanDerWaalsContact CG1-O 3.3Å; V178-R180 WeakPolarHBondContact CG1-O 3.49Å
181C97.1Very high95.8Very high3 Ų356.3 Ų56.32%0.0231%0.307CS..  trans-118.4161.9173.6-167.90000109.7C160 V165 L168 I174C160-C181 HydrophobicContact CB-CB 4.08Å; C160-C181 PolarHBondContact N-O 2.84Å; C160-C181 VanDerWaalsContact SG-CB 3.55Å; C160-C181 PolarHBondContact SG-O 3.27Å; V165-C181 HydrophobicContact CG2-CB 3.94Å; L168-C181 HydrophobicContact CD1-CB 4.25Å; L168-C181 VanDerWaalsContact CD1-SG 3.59Å; I174-C181 HydrophobicContact CD1-CB 4.08Å
182K97.4Very high96Very high37 Ų3753.5 Ų53.516%0.16129%0.292CS..EExtended strand (participates in β ladder)trans-134.8151.4171.3-63.2-163.7-174-178.30110.3L128 Y147 P157 V158L128-K182 WeakPolarHBondContact CB-O 3.25Å; L128-K182 HydrophobicContact CD2-CB 4.38Å; L128-K182 PolarHBondContact N-O 2.62Å; Y147-K182 HydrophobicContact CD1-CD 4.48Å; Y147-K182 HydrophobicContact CE1-CD 3.82Å; Y147-K182 HydrophobicContact CE1-CG 4.43Å; P157-K182 HydrophobicContact CB-CB 4.26Å; P157-K182 HydrophobicContact CB-CD 4Å; P157-K182 HydrophobicContact CG-CD 3.72Å; V158-K182 CarbonylContact O-C 3.14Å; V158-K182 WeakPolarHBondContact O-CA 3.33Å; V158-K182 WeakPolarHBondContact O-CB 3.32Å
183L97.6Very high96.1Very high0 Ų054.2 Ų54.20%028%0.282CS..EExtended strand (participates in β ladder)trans-110.1157.6172.7-45176.2000110.1F118 V120 L125 I126 P157 V158 C160 L168F118-L183 HydrophobicContact CB-CD1 4.03Å; F118-L183 HydrophobicContact CD2-CD1 3.79Å; F118-L183 HydrophobicContact CD2-CD2 4.02Å; F118-L183 HydrophobicContact CE2-CD2 4.45Å; F118-L183 HydrophobicContact CG-CD1 4.29Å; V120-L183 HydrophobicContact CG2-CD1 4.47Å; L125-L183 HydrophobicContact CB-CB 3.52Å; L125-L183 HydrophobicContact CB-CD1 4.05Å; L125-L183 HydrophobicContact CB-CG 4.4Å; L125-L183 HydrophobicContact CD1-CB 4.22Å; L125-L183 HydrophobicContact CD1-CD1 4.4Å; I126-L183 VanDerWaalsContact O-CA 3.29Å; I126-L183 WeakPolarHBondContact O-CA 3.37Å; P157-L183 CarbonylContact C-O 3.55Å; P157-L183 WeakPolarHBondContact CA-O 3.44Å; P157-L183 WeakPolarHBondContact CB-O 3.44Å; V158-L183 HydrophobicContact CB-CB 4.49Å; V158-L183 PolarHBondContact N-O 3.08Å; V158-L183 PolarHBondContact O-N 3Å; C160-L183 VanDerWaalsContact SG-CD2 3.56Å; C160-L183 VanDerWaalsContact SG-CG 3.57Å; L168-L183 HydrophobicContact CD1-CD2 4.45Å
184I97.8Very high96.1Very high0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-145147.7179.8-171.1167.8000108.4L125 I126 L128 L150 I155 E188 F189L125-I184 CarbonylContact C-O 3.48Å; L125-I184 WeakPolarHBondContact CA-O 3.48Å; I126-I184 HydrophobicContact CD1-CG2 4.12Å; I126-I184 HydrophobicContact CG1-CG2 3.74Å; I126-I184 WeakPolarHBondContact CG1-O 3.25Å; I126-I184 PolarHBondContact N-O 3.27Å; I126-I184 PolarHBondContact O-N 3.23Å; I126-I184 VanDerWaalsContact O-N 3.09Å; L128-I184 HydrophobicContact CB-CB 4.42Å; L128-I184 HydrophobicContact CB-CG2 3.97Å; L128-I184 HydrophobicContact CD1-CD1 4.28Å; L128-I184 HydrophobicContact CD1-CG2 4Å; L128-I184 HydrophobicContact CG-CG2 4.48Å; L150-I184 HydrophobicContact CD1-CD1 4.32Å; L150-I184 HydrophobicContact CD2-CD1 3.62Å; I155-I184 HydrophobicContact CG2-CD1 4.17Å; I155-I184 HydrophobicContact CG2-CG1 4.44Å; I184-E188 HydrophobicContact CD1-CB 4Å; I184-E188 HydrophobicContact CG1-CB 3.56Å; I184-E188 WeakPolarHBondContact CG1-OE2 3.5Å; I184-F189 HydrophobicContact CD1-CB 4.25Å; I184-F189 HydrophobicContact CD1-CD2 4.41Å; I184-F189 HydrophobicContact CG1-CB 4.49Å; I184-F189 HydrophobicContact CG2-CB 4.08Å; I184-F189 HydrophobicContact CG2-CD2 4.06Å; I184-F189 HydrophobicContact CG2-CG 4.49Å
185A97.1Very high96Very high6 Ų656 Ų565%0.0530%0.296CS..  trans-70.5147.8173.400000110.3L125 Q187 E188 F189L125-A185 HydrophobicContact CD2-CB 3.96Å; A185-Q187 PolarHBondContact O-N 3.36Å; A185-E188 HydrophobicContact CB-CB 4.2Å; A185-E188 HydrophobicContact CB-CG 3.92Å; A185-E188 WeakPolarHBondContact CB-OE2 3.47Å; A185-E188 PolarHBondContact N-OE2 3.21Å; A185-E188 WeakPolarHBondContact O-CB 3.45Å; A185-E188 PolarHBondContact O-N 3.33Å; A185-E188 VanDerWaalsContact O-N 3.09Å; A185-F189 PolarHBondContact O-N 3.47Å
186P97Very high96Very high18 Ų1850.5 Ų50.512%0.11727%0.27CS..Hα-helixtrans-52.7-40.6176.2-29.235.8000113.5L108 Y110 D124 I126 F189 D190L108-P186 HydrophobicContact CD2-CG 3.65Å; Y110-P186 HydrophobicContact CD2-CB 4.09Å; Y110-P186 HydrophobicContact CE2-CB 4Å; D124-P186 VanDerWaalsContact O-CD 3.25Å; D124-P186 WeakPolarHBondContact O-CD 3.26Å; I126-P186 HydrophobicContact CG2-CG 4.2Å; P186-F189 PolarHBondContact O-N 3.1Å; P186-D190 PolarHBondContact O-N 3.22Å
187Q96.5Very high95.9Very high134 Ų13447.2 Ų47.263%0.62625%0.248SC*.Hα-helixtrans-68.4-36.9179.2-52.183.5-5.600112.3A185 F189 D190 I191A185-Q187 PolarHBondContact O-N 3.36Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; Q187-D190 PolarHBondContact O-N 3.48Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.77Å
188E97.6Very high95.5Very high46 Ų4649.7 Ų49.722%0.21525%0.247CC..Hα-helixtrans-65.9-36.1173-69.7167.217500110.8I155 I184 A185 I191 L192I155-E188 HydrophobicContact CD1-CB 4.26Å; I155-E188 WeakPolarHBondContact CD1-O 3.44Å; I155-E188 HydrophobicContact CG2-CB 3.87Å; I155-E188 HydrophobicContact CG2-CG 4.04Å; I184-E188 HydrophobicContact CD1-CB 4Å; I184-E188 HydrophobicContact CG1-CB 3.56Å; I184-E188 WeakPolarHBondContact CG1-OE2 3.5Å; A185-E188 HydrophobicContact CB-CB 4.2Å; A185-E188 HydrophobicContact CB-CG 3.92Å; A185-E188 WeakPolarHBondContact CB-OE2 3.47Å; A185-E188 PolarHBondContact N-OE2 3.21Å; A185-E188 WeakPolarHBondContact O-CB 3.45Å; A185-E188 PolarHBondContact O-N 3.33Å; A185-E188 VanDerWaalsContact O-N 3.09Å; E188-I191 PolarHBondContact O-N 3.49Å; E188-L192 PolarHBondContact O-N 2.81Å; E188-L192 VanDerWaalsContact O-N 3.08Å
189F97.7Very high94.3Very high0 Ų050.1 Ų50.10%025%0.252CS..Hα-helixtrans-73.5-33.4175.6-167.9-89.8000113Y110 I126 L128 A131 F135 L136 I184 A185 P186 Q187 I191 L192 Y193Y110-F189 AromaticContact CE1-CD1 3.62Å; Y110-F189 HydrophobicContact CE1-CD1 3.62Å; Y110-F189 AromaticContact CE1-CE1 3.94Å; Y110-F189 HydrophobicContact CE1-CE1 3.94Å; Y110-F189 AromaticContact CZ-CD1 3.82Å; Y110-F189 WeakPolarHBondContact OH-CD1 3.32Å; I126-F189 HydrophobicContact CD1-CB 3.93Å; I126-F189 HydrophobicContact CD1-CD1 4.49Å; I126-F189 HydrophobicContact CD1-CG 4.08Å; L128-F189 HydrophobicContact CD1-CD2 3.86Å; L128-F189 HydrophobicContact CD1-CE2 3.89Å; A131-F189 HydrophobicContact CB-CD2 4.01Å; A131-F189 HydrophobicContact CB-CE1 4.1Å; A131-F189 HydrophobicContact CB-CE2 3.48Å; A131-F189 VanDerWaalsContact CB-CE2 3.48Å; A131-F189 HydrophobicContact CB-CZ 3.53Å; A131-F189 WeakPolarHBondContact O-CZ 3.44Å; F135-F189 HydrophobicContact CB-CE1 4.13Å; F135-F189 HydrophobicContact CB-CZ 4.22Å; F135-F189 AromaticContact CD2-CE1 3.94Å; F135-F189 HydrophobicContact CD2-CE1 3.94Å; F135-F189 HydrophobicContact CD2-CZ 4.25Å; F135-F189 HydrophobicContact CG-CE1 4.37Å; L136-F189 HydrophobicContact CD1-CE2 3.67Å; L136-F189 HydrophobicContact CD1-CZ 3.6Å; L136-F189 HydrophobicContact CG-CE2 4.39Å; L136-F189 HydrophobicContact CG-CZ 3.81Å; I184-F189 HydrophobicContact CD1-CB 4.25Å; I184-F189 HydrophobicContact CD1-CD2 4.41Å; I184-F189 HydrophobicContact CG1-CB 4.49Å; I184-F189 HydrophobicContact CG2-CB 4.08Å; I184-F189 HydrophobicContact CG2-CD2 4.06Å; I184-F189 HydrophobicContact CG2-CG 4.49Å; A185-F189 PolarHBondContact O-N 3.47Å; P186-F189 PolarHBondContact O-N 3.1Å; Q187-F189 VanDerWaalsContact C-N 3.31Å; F189-I191 VanDerWaalsContact C-N 3.34Å; F189-L192 HydrophobicContact CD2-CD2 3.88Å; F189-L192 HydrophobicContact CE2-CD2 3.95Å; F189-L192 PolarHBondContact O-N 2.76Å; F189-Y193 VanDerWaalsContact O-CB 3.27Å; F189-Y193 WeakPolarHBondContact O-CB 3.49Å; F189-Y193 PolarHBondContact O-N 3.09Å
190D96.9Very high92.6Very high66 Ų6649.1 Ų49.135%0.35325%0.253SS..Hα-helixtrans-62.7-38.6170.2-93.7-47.4000111.6Y110 R111 P186 Q187 Y193 A194Y110-D190 PolarHBondContact OH-N 3.48Å; Y110-D190 PolarHBondContact OH-OD1 3.45Å; Y110-D190 PolarHBondContact OH-OD2 3.24Å; R111-D190 IonicContact NH1-OD1 2.59Å; R111-D190 PolarHBondContact NH1-OD1 2.81Å; P186-D190 PolarHBondContact O-N 3.22Å; Q187-D190 PolarHBondContact O-N 3.48Å; D190-Y193 PolarHBondContact O-N 3.11Å; D190-A194 WeakPolarHBondContact O-CB 3.42Å; D190-A194 PolarHBondContact O-N 3.16Å
191I96.9Very high90.4Very high94 Ų9442.6 Ų42.648%0.48224%0.241SC..Hα-helixtrans-63.6-45.6173.4-64.5165.4000110.8L153 I155 Q187 E188 F189 Y193 A194 D195L153-I191 HydrophobicContact CD1-CG2 4.5Å; L153-I191 HydrophobicContact CD2-CG2 4.43Å; I155-I191 HydrophobicContact CD1-CB 4.12Å; I155-I191 HydrophobicContact CD1-CG2 4Å; Q187-I191 WeakPolarHBondContact O-CG1 3.49Å; Q187-I191 PolarHBondContact O-N 2.77Å; E188-I191 PolarHBondContact O-N 3.49Å; F189-I191 VanDerWaalsContact C-N 3.34Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.12Å; I191-A194 PolarHBondContact O-N 3.38Å; I191-D195 WeakPolarHBondContact O-CB 3.42Å; I191-D195 PolarHBondContact O-N 3.48Å
192L97Very high88.2Confident0 Ų052.6 Ų52.60%028%0.279CS..Hα-helixtrans-60.7-40.6174171.367.6000112.1L128 L136 V146 K149 L150 L153 E188 F189 D195 C196L128-L192 HydrophobicContact CD1-CD2 4.21Å; L136-L192 HydrophobicContact CD1-CD2 3.67Å; L136-L192 HydrophobicContact CD1-CG 4.01Å; V146-L192 HydrophobicContact CG1-CD1 4.39Å; V146-L192 HydrophobicContact CG1-CD2 3.64Å; K149-L192 HydrophobicContact CB-CD1 3.83Å; K149-L192 HydrophobicContact CD-CD1 4.43Å; L150-L192 HydrophobicContact CD1-CD2 4.45Å; L150-L192 HydrophobicContact CD2-CB 4.15Å; L150-L192 HydrophobicContact CD2-CD1 4.16Å; L150-L192 HydrophobicContact CD2-CD2 4.01Å; L150-L192 HydrophobicContact CD2-CG 4.32Å; L150-L192 HydrophobicContact CG-CD1 4.18Å; L150-L192 HydrophobicContact CG-CD2 4.24Å; L153-L192 HydrophobicContact CD1-CB 4.48Å; L153-L192 HydrophobicContact CD1-CD1 4.26Å; E188-L192 PolarHBondContact O-N 2.81Å; E188-L192 VanDerWaalsContact O-N 3.08Å; F189-L192 HydrophobicContact CD2-CD2 3.88Å; F189-L192 HydrophobicContact CE2-CD2 3.95Å; F189-L192 PolarHBondContact O-N 2.76Å; L192-D195 PolarHBondContact O-N 3.32Å; L192-C196 PolarHBondContact O-N 3.06Å; L192-C196 PolarHBondContact O-SG 2.97Å
193Y96.7Very high85.8Confident57 Ų5757.6 Ų57.622%0.22432%0.315CS..Hα-helixtrans-66.5-46.2179.6-175.7-93000110.9F135 L136 L139 F189 D190 I191 D195 C196 T197F135-Y193 HydrophobicContact CB-CD2 4.25Å; F135-Y193 HydrophobicContact CB-CE2 4.13Å; L136-Y193 HydrophobicContact CD2-CD2 3.7Å; L136-Y193 HydrophobicContact CD2-CE2 4.37Å; L139-Y193 HydrophobicContact CD1-CE2 4.27Å; F189-Y193 VanDerWaalsContact O-CB 3.27Å; F189-Y193 WeakPolarHBondContact O-CB 3.49Å; F189-Y193 PolarHBondContact O-N 3.09Å; D190-Y193 PolarHBondContact O-N 3.11Å; I191-Y193 VanDerWaalsContact C-N 3.33Å; I191-Y193 PolarHBondContact O-N 3.12Å; Y193-D195 VanDerWaalsContact C-N 3.31Å; Y193-D195 PolarHBondContact O-N 3.21Å; Y193-C196 PolarHBondContact O-N 2.93Å; Y193-C196 VanDerWaalsContact O-N 3.09Å; Y193-T197 HydrophobicContact CD1-CG2 4.28Å; Y193-T197 HydrophobicContact CE1-CG2 3.86Å; Y193-T197 PolarHBondContact O-N 3.12Å; Y193-T197 PolarHBondContact O-OG1 3.06Å
194A95.1Very high83.1Confident38 Ų3860.6 Ų60.631%0.31435%0.345SS..Hα-helixtrans-58.9-4017200000112D190 I191 T197 N198D190-A194 WeakPolarHBondContact O-CB 3.42Å; D190-A194 PolarHBondContact O-N 3.16Å; I191-A194 PolarHBondContact O-N 3.38Å; A194-T197 PolarHBondContact O-OG1 3.04Å; A194-N198 WeakPolarHBondContact O-CB 3.34Å; A194-N198 PolarHBondContact O-N 2.79Å; A194-N198 PolarHBondContact O-ND2 3.33Å
195D94.5Very high80.9Confident23 Ų2371.8 Ų71.812%0.12339%0.388CS..Hα-helixtrans-66.1-34.9173.9-175.566.4000112.7K149 R152 L153 I191 L192 Y193 S199K149-D195 WeakPolarHBondContact CD-OD2 3.38Å; K149-D195 PolarHBondContact NZ-O 3.47Å; K149-D195 IonicContact NZ-OD2 2.68Å; K149-D195 PolarHBondContact NZ-OD2 2.93Å; R152-D195 IonicContact CZ-OD1 2.76Å; R152-D195 IonicContact NH1-OD1 3.01Å; R152-D195 IonicContact NH2-OD1 2.66Å; R152-D195 PolarHBondContact NH2-OD1 2.92Å; R152-D195 IonicContact NH2-OD2 2.86Å; R152-D195 PolarHBondContact NH2-OD2 2.86Å; L153-D195 HydrophobicContact CD1-CB 3.78Å; L153-D195 HydrophobicContact CD2-CB 4.07Å; L153-D195 HydrophobicContact CG-CB 4.49Å; I191-D195 WeakPolarHBondContact O-CB 3.42Å; I191-D195 PolarHBondContact O-N 3.48Å; L192-D195 PolarHBondContact O-N 3.32Å; Y193-D195 VanDerWaalsContact C-N 3.31Å; Y193-D195 PolarHBondContact O-N 3.21Å; D195-S199 WeakPolarHBondContact O-CB 3.4Å; D195-S199 PolarHBondContact O-N 2.91Å; D195-S199 PolarHBondContact O-OG 2.87Å
196C93.8Very high78.4Confident3 Ų377.2 Ų77.22%0.0242%0.423CS..Hα-helixtrans-69.4-47.3175.7-66.30000111.6L136 L139 K149 L192 Y193 S200L136-C196 HydrophobicContact CD2-CB 3.84Å; L139-C196 HydrophobicContact CB-CB 4.31Å; L139-C196 HydrophobicContact CD1-CB 4.2Å; K149-C196 VanDerWaalsContact CD-SG 3.56Å; L192-C196 PolarHBondContact O-N 3.06Å; L192-C196 PolarHBondContact O-SG 2.97Å; Y193-C196 PolarHBondContact O-N 2.93Å; Y193-C196 VanDerWaalsContact O-N 3.09Å; C196-S200 PolarHBondContact O-N 3.37Å
197T91.4Very high76.2Confident40 Ų4081.9 Ų81.925%0.24546%0.456CS..Hα-helixtrans-68.7-48.9179.255.10000111.9L139 Y193 A194 S199 S200 S201L139-T197 HydrophobicContact CD1-CG2 3.85Å; Y193-T197 HydrophobicContact CD1-CG2 4.28Å; Y193-T197 HydrophobicContact CE1-CG2 3.86Å; Y193-T197 PolarHBondContact O-N 3.12Å; Y193-T197 PolarHBondContact O-OG1 3.06Å; A194-T197 PolarHBondContact O-OG1 3.04Å; T197-S199 PolarHBondContact O-N 3.02Å; T197-S200 PolarHBondContact O-N 2.88Å; T197-S200 VanDerWaalsContact O-N 3.1Å; T197-S200 PolarHBondContact O-OG 3.38Å; T197-S201 PolarHBondContact O-N 2.82Å
198N84.5Confident73.3Confident113 Ų11385.3 Ų85.360%0.60447%0.468SS*.Hα-helixtrans-73.9-23.8-177.2-59.3-17.2000112.9A194 S201A194-N198 WeakPolarHBondContact O-CB 3.34Å; A194-N198 PolarHBondContact O-N 2.79Å; A194-N198 PolarHBondContact O-ND2 3.33Å; N198-S201 PolarHBondContact O-OG 3.36Å; N198-S201 VanDerWaalsContact O-OG 3.11Å
199S67.5Low70.9Confident50 Ų5093.8 Ų93.835%0.3550%0.498SS..Hα-helixtrans-69.2-36.2167.8-68.40000111.9K149 D195 T197 S201 R202K149-S199 PolarHBondContact NZ-OG 2.84Å; K149-S199 VanDerWaalsContact NZ-OG 3.1Å; D195-S199 WeakPolarHBondContact O-CB 3.4Å; D195-S199 PolarHBondContact O-N 2.91Å; D195-S199 PolarHBondContact O-OG 2.87Å; T197-S199 PolarHBondContact O-N 3.02Å; S199-S201 PolarHBondContact O-N 3.47Å; S199-R202 PolarHBondContact O-N 2.73Å
200S58.7Low68.3Low79 Ų79101.2 Ų101.255%0.55254%0.537SS*.Hα-helixtrans-70-18.2-176.373.60000113.7C196 T197 R202C196-S200 PolarHBondContact O-N 3.37Å; T197-S200 PolarHBondContact O-N 2.88Å; T197-S200 VanDerWaalsContact O-N 3.1Å; T197-S200 PolarHBondContact O-OG 3.38Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.19Å
201S49.7Very low65.5Low87 Ų87101 Ų10161%0.60854%0.541SS*.THydrogen-bonded Turntrans-85.111.1175.567.80000114.5T197 N198 S199 P203T197-S201 PolarHBondContact O-N 2.82Å; N198-S201 PolarHBondContact O-OG 3.36Å; N198-S201 VanDerWaalsContact O-OG 3.11Å; S199-S201 PolarHBondContact O-N 3.47Å; S201-P203 VanDerWaalsContact O-CD 3.31Å; S201-P203 WeakPolarHBondContact O-CD 3.42Å
202R51.3Low62.6Low214 Ų21499.1 Ų99.181%0.80855%0.545SS*.SBendtrans-76.6116163.5-85.9-168.7168-149.6-3.4109S199 S200 G204S199-R202 PolarHBondContact O-N 2.73Å; S200-R202 VanDerWaalsContact C-N 3.3Å; S200-R202 PolarHBondContact O-N 3.19Å; R202-G204 VanDerWaalsContact C-N 3.28Å; R202-G204 PolarHBondContact O-N 3.36Å
203P45.9Very low60.1Low142 Ų142104.8 Ų104.892%0.92257%0.574SS**  trans-74.486.1173.4-7.726.4000108.2S201S201-P203 VanDerWaalsContact O-CD 3.31Å; S201-P203 WeakPolarHBondContact O-CD 3.42Å
204G41.3Very low57.4Low62 Ų62109.2 Ų109.264%0.63960%0.596SS**  trans-160.496.8-169.800000112R202R202-G204 VanDerWaalsContact C-N 3.28Å; R202-G204 PolarHBondContact O-N 3.36Å
205R52.3Low54.7Low236 Ų236113.6 Ų113.689%0.89162%0.619SS**  trans7696.2176.6-156.2179.7-137.71767.9115.9
206P43.3Very low51.8Low120 Ų120118.2 Ų118.278%0.77965%0.651SS**  trans-54.5150.1160.1-23.334.5000112K208P206-K208 PolarHBondContact O-N 3.21Å
207S51.3Low48.9Very low116 Ų116123.8 Ų123.881%0.81169%0.69SS**  trans-75.1105179.9-176.70000110.9R209S207-R209 PolarHBondContact O-N 3.27Å
208K36.9Very low46.1Very low205 Ų205130 Ų13089%0.89172%0.721SS**  trans-59.7100.7174.8-82.6-165.3172.2-170.70111P206P206-K208 PolarHBondContact O-N 3.21Å
209R47.2Very low43.6Very low224 Ų224129.6 Ų129.685%0.84573%0.726SS**  trans-160.6127.2158.8-114.5162.9-167.9-143.6-3.2114.3S207S207-R209 PolarHBondContact O-N 3.27Å
210L42.4Very low42.1Very low156 Ų156132.4 Ų132.482%0.81775%0.746SS**  trans67.392.5161.2-57.2179.4000117
211S37.7Very low40.9Very low61 Ų61134.9 Ų134.943%0.42776%0.758SS.*  trans-140.789.9165.360.70000111D602 N603S211-D602 WeakPolarHBondContact CB-OD1 3.31Å; S211-D602 PolarHBondContact OG-OD1 3.43Å; S211-N603 CarbonylContact C-O 3.49Å
212G35.8Very low40.1Very low55 Ų55139.1 Ų139.157%0.56777%0.773SS**  trans-164.595.4161.700000114.8N603G212-N603 CarbonylContact C-O 3.55Å; G212-N603 WeakPolarHBondContact CA-O 3.35Å; G212-N603 PolarHBondContact N-O 3.42Å
213I44.1Very low39.2Very low120 Ų120132.3 Ų132.362%0.61577%0.769SS**  trans-165.2123.9151.6-92.5145.8000108.5N603I213-N603 PolarHBondContact N-O 3.44Å
214E40.9Very low38.7Very low149 Ų149130.8 Ų130.870%0.69676%0.762SS**  trans-113.5153.7160.8-82.9-175.5-177.900109.5N603E214-N603 HydrophobicContact CG-CB 4.25Å; E214-N603 PolarHBondContact OE1-ND2 3.46Å
215T38.2Very low38.5Very low130 Ų130135.7 Ų135.780%0.79877%0.768SS**  trans-130146.8165.452.40000110.9
216P34.6Very low37.9Very low121 Ų121133.2 Ų133.279%0.78676%0.763SS**  trans-100.2147.4-143.536-36.1000115.8
217S32.4Very low37.3Very low119 Ų119132.4 Ų132.483%0.83276%0.761SS**  trans-113.8114.1160.2620000111.1
218L31.6Very low36.7Very low172 Ų172138.3 Ų138.390%0.90177%0.765SS**  trans-82.4134.5-177.9-70.3165.9000113.1
219S32Very low36.5Very low103 Ų103134.5 Ų134.572%0.7276%0.759SS**  trans-159.7143.4155.1520000112.2
220S36.3Very low35.7Very low110 Ų110128.6 Ų128.677%0.76975%0.751SS**  trans45.296168.951.50000116.8
221V34.6Very low35.4Very low130 Ų130128.6 Ų128.679%0.78875%0.747SS**  cis76.6117.729.2-170.60000115.6
222L32.9Very low35.3Very low177 Ų177131.4 Ų131.493%0.92776%0.757SS**  trans85.5117.3161.7-114.575.7000121.9
223G31.7Very low35.5Very low71 Ų71136 Ų13673%0.73277%0.768SS**  trans119.2133.4152.100000116.1
224S35.4Very low35.2Very low109 Ų109136.6 Ų136.676%0.76277%0.773SS**  cis-160.5127.9-9.5-106.70000113.6
225H37.1Very low35.1Very low165 Ų165134.9 Ų134.976%0.76478%0.777SS**  trans22.7110.1151.1-52.5-82.2000122.2
226K39Very low35.2Very low185 Ų185132.2 Ų132.280%0.80478%0.776SS**  174.2122.8110.5-92.7151.4-175.1164.90109.3
227S31.3Very low35.1Very low103 Ų103135.6 Ų135.672%0.7278%0.781SS**  58.691.360-53.10000114.4
228R39.3Very low35.6Very low239 Ų239135.4 Ų135.490%0.90278%0.779SS**  -154.4136.5120.8-134.2164.6-75-148.12.3113
229T31.9Very low36.1Very low125 Ų125133.6 Ų133.677%0.76778%0.776SS**  trans-101.2168.5177.3-30.80000109.5
230C29.6Very low36.5Very low101 Ų101133.6 Ų133.668%0.68277%0.774SS**  trans84.6131.2153.1-61.40000120.9
231H37.3Very low36.5Very low155 Ų155137.5 Ų137.572%0.71878%0.776SS**  trans79.4113.5134.1-76.5-49.4000122.6
232N35.7Very low36.8Very low120 Ų120139.6 Ų139.664%0.64278%0.778SS**  90.1144.7120.6-67.20.1000121
233N39.7Very low37Very low151 Ų151135.9 Ų135.981%0.80777%0.767SS**  trans72.7148.3155.5-63.92.2000117.5
234D37.9Very low37.4Very low133 Ų133143.7 Ų143.771%0.71177%0.774SS**  cis-168.8146.7-18.3175.124.2000108.7
235S38.8Very low37.5Very low113 Ų113143.5 Ų143.579%0.7977%0.773SS**  trans55.9165.1160.2-70.50000120.2
236G39.9Very low37.4Very low74 Ų74141.7 Ų141.776%0.76378%0.777SS**  trans124.843.315900000119.3
237E33Very low37.4Very low193 Ų193137.9 Ų137.990%0.90278%0.78SS**  trans-20.2125.8157.2177.7-179.2-176.900117.7
238S42.4Very low37.8Very low114 Ų114137.5 Ų137.580%0.79778%0.777SS**  trans-177.7166.313238.70000112.2
239T42.6Very low38.1Very low135 Ų135133.5 Ų133.583%0.82877%0.774SS**  trans-133.1-178.7-17260.90000110.3
240P40.3Very low38.6Very low103 Ų103131 Ų13167%0.66977%0.773SS**  -131.1-177.2-60.735.4-18.6000113.3
241K36.8Very low39.2Very low191 Ų191133.2 Ų133.283%0.8378%0.778SS**  trans89.3160.3161.8-55.6171.7177.8178.50119.1
242Q40Very low39.2Very low175 Ų175132.7 Ų132.782%0.81878%0.781SS**  trans81.273.6158.4-76.3174-8.100121.3
243S38.2Very low39.4Very low99 Ų99131.4 Ų131.469%0.69278%0.781SS**  68.3131.2106.267.40000124
244R40.4Very low39.4Very low234 Ų234134.5 Ų134.588%0.88378%0.782SS**  trans96.7145.2140.7-80.3176175.6-178.4-1.8122.2
245S37.2Very low39.3Very low105 Ų105133.8 Ų133.873%0.73478%0.778SS**  trans60.3102.6156.747.50000118.9
246C34.2Very low39.2Very low128 Ų128134.2 Ų134.287%0.86577%0.771SS**  75.7144.764.7-60.50000115.7
247A39.3Very low38.9Very low105 Ų105139 Ų13987%0.86877%0.774SS**  trans73.8144.6167.700000118.5
248S39.2Very low39.1Very low94 Ų94134.7 Ų134.766%0.65777%0.765SS**  cis-165.6173.7-23.3-158.60000110.8
249D45.1Very low38.6Very low155 Ų155137.2 Ų137.283%0.82976%0.764SS**  trans68.8147.2157.2-42.4-34.6000118.9
250G42.6Very low38.2Very low73 Ų73136.2 Ų136.275%0.75376%0.758SS**  cis178.3-176.9-4.600000114.7
251D42.5Very low37.7Very low148 Ų148140 Ų14079%0.79177%0.766SS**  trans68.8102.3156.2-78.4-40.7000125.5
252N38.5Very low37.4Very low144 Ų144139.4 Ų139.477%0.7777%0.767SS**  66.8124.9111.2-89.7-58.7000125.1
253S38.4Very low37Very low93 Ų93137.9 Ų137.965%0.6577%0.77SS**  133.1118.7111.9-137.20000121.1
254R39.7Very low36.5Very low215 Ų215140.6 Ų140.681%0.81178%0.776SS**  trans73.7119133.9-77.2-179.7169.3168-1.2126.8
255N37.3Very low35.9Very low119 Ų119140.3 Ų140.364%0.63678%0.775SS**  88.4115.7117-69.914.9000126.3
256N35Very low35.7Very low122 Ų122141.2 Ų141.265%0.65278%0.778SS**  91.2118.4117.2-67.25.9000126.2
257Q35.4Very low35.5Very low174 Ų174142.6 Ų142.681%0.81378%0.777SS**  89147.6124.5-76-176-13.500125.5
258S35.1Very low35.1Very low103 Ų103143.2 Ų143.272%0.7278%0.775SS**  trans83.6144.1162.4-710000119.7
259Q33.5Very low34.7Very low166 Ų166146.6 Ų146.678%0.77678%0.78SS**  cis-172.8151.4-16.7-117.5-171.4-7.900110.2
260V32.6Very low34.1Very low114 Ų114146 Ų14669%0.69178%0.777SS**  trans67.9148.8143.2172.20000117.6
261E31.5Very low33.5Very low183 Ų183148.7 Ų148.786%0.85577%0.774SS**  cis-145.8-17518.2-149.6149.2169.100114.1
262Q30.8Very low32.8Very low178 Ų178148.9 Ų148.983%0.83277%0.774SS**  trans-136.3152.5179.3-70.2-176.3-12.800114.4
263T30.4Very low32.3Very low144 Ų144147.4 Ų147.488%0.88378%0.775SS**  trans-177.9156.1151.89.60000109.3
264L27.2Very low31.7Very low156 Ų156148.3 Ų148.382%0.81778%0.776SS**  cis-179.3150.2-39.7178.260.8000105
265W29.6Very low31.2Very low227 Ų227148.5 Ų148.586%0.8678%0.779SS**  trans-88.9172.8-170.3-6379.2000114.9
266P32Very low30.8Very low124 Ų124147.6 Ų147.681%0.80578%0.779SS**  -139.9163.3119.938.7-27.6000116
267N29.7Very low30.4Very low157 Ų157149.2 Ų149.284%0.8479%0.787SS**  trans-96.3159.3178.4-71.3-42000113.5
268S31.8Very low30.1Very low118 Ų118148.1 Ų148.183%0.82578%0.783SS**  trans-153153.2147.566.20000111.5
269Q30.2Very low29.6Very low166 Ų166148.7 Ų148.778%0.77679%0.788SS**  trans-90.7153.5-176.7-56.3114.8-42.400112.9
270N31.8Very low29.4Very low143 Ų143145 Ų14577%0.76578%0.78SS**  174.7148.4113.3-87.6-34.7000115.6
271N31Very low29.3Very low128 Ų128144.9 Ų144.968%0.68477%0.768SS**  trans62100.9151.7-65.3-12.4000122.7
272I27Very low29.4Very low153 Ų153142.3 Ų142.379%0.78576%0.756SS**  57112.9117-58.4158.1000118.5
273S28Very low29.6Very low113 Ų113140.6 Ų140.679%0.7975%0.752SS**  trans-143147.9137.4-170.50000109.8
274T27Very low29.8Very low111 Ų111137.3 Ų137.368%0.68173%0.731SS**  trans-94.1124.9-163.1-58.20000113.4
275Y28.7Very low30.2Very low220 Ų220135.7 Ų135.786%0.86372%0.723SS**  trans-137122.7156-73.2-77.3000110.1
276P29.8Very low30.6Very low99 Ų99126.9 Ų126.964%0.64370%0.695SS**  trans-96.8178.4176.338.8-34.7000112.4
277L26.4Very low31Very low157 Ų157126.3 Ų126.382%0.82268%0.682SS**  trans73.6104.3168.7-57.8153.5000116.5
278M27.5Very low31.5Very low150 Ų150122.3 Ų122.374%0.73966%0.66SS**  -179.981.4106.1-95.4-160131.200111.3Y281M278-Y281 HydrophobicContact CB-CE1 4.15Å; M278-Y281 HydrophobicContact CE-CE1 3.77Å; M278-Y281 HydrophobicContact CG-CE1 4Å; M278-Y281 HydrophobicContact SD-CE1 4.41Å
279S25.9Very low32.5Very low116 Ų116118.7 Ų118.781%0.81163%0.631SS**SBendtrans-16490.6166.9-1720000110
280S29.3Very low33.5Very low89 Ų89114.7 Ų114.762%0.62261%0.611SS**  trans-173-13.3178.249.60000116V284S280-V284 WeakPolarHBondContact O-CG2 3.41Å
281Y29.3Very low34.5Very low111 Ų111111.2 Ų111.244%0.43560%0.598SS.*SBendtrans-83.5-23.6-172.331.7-90.9000115M278 L283 V284M278-Y281 HydrophobicContact CB-CE1 4.15Å; M278-Y281 HydrophobicContact CE-CE1 3.77Å; M278-Y281 HydrophobicContact CG-CE1 4Å; M278-Y281 HydrophobicContact SD-CE1 4.41Å; Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 2.98Å; Y281-V284 PolarHBondContact O-N 3.02Å
282E34.1Very low35.7Very low128 Ų128111.7 Ų111.760%0.59859%0.594SS**THydrogen-bonded Turntrans-61.2-28-174.5-71.5-68.8115.100115Q614E282-Q614 PolarHBondContact OE2-NE2 3.17Å
283L35.6Very low37.2Very low143 Ų143105 Ų10575%0.74956%0.56SS**THydrogen-bonded Turntrans-100.5-7.3-176.3-105.3161.2000114.3Y281Y281-L283 VanDerWaalsContact C-N 3.3Å; Y281-L283 PolarHBondContact O-N 2.98Å
284V34.8Very low38.6Very low74 Ų74102.4 Ų102.445%0.44854%0.535SS..THydrogen-bonded Turntrans-88.6-27.9-170.31790000112.2S280 Y281 Q287 L288S280-V284 WeakPolarHBondContact O-CG2 3.41Å; Y281-V284 PolarHBondContact O-N 3.02Å; V284-Q287 PolarHBondContact O-N 3.4Å; V284-L288 HydrophobicContact CG1-CB 4.32Å; V284-L288 VanDerWaalsContact O-CB 3.28Å; V284-L288 WeakPolarHBondContact O-CB 3.36Å; V284-L288 PolarHBondContact O-N 3.2Å
285L35.1Very low40.3Very low122 Ų12298.5 Ų98.564%0.63952%0.516SS*.Hα-helixtrans-59.2-48.3-171.3-135.772.4000113.7Q287 L288 L289L285-Q287 PolarHBondContact O-N 3.09Å; L285-L288 PolarHBondContact O-N 2.95Å; L285-L289 PolarHBondContact O-N 2.83Å
286P38.4Very low41.9Very low43 Ų4392.4 Ų92.428%0.27950%0.495SS..Hα-helixtrans-66.9-36.5179.1-22.235.8000112.9L289 K290 D617P286-L289 PolarHBondContact O-N 3.1Å; P286-K290 WeakPolarHBondContact O-CG 3.32Å; P286-K290 PolarHBondContact O-N 2.93Å; P286-D617 WeakPolarHBondContact CG-OD2 3.47Å
287Q39.5Very low43.4Very low111 Ų11188.7 Ų88.752%0.51947%0.47SS..Hα-helixtrans-72-37.2178-65-165.7-6.900112.5V284 L285 L289 K290 S291V284-Q287 PolarHBondContact O-N 3.4Å; L285-Q287 PolarHBondContact O-N 3.09Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; Q287-K290 PolarHBondContact O-N 3.36Å; Q287-S291 PolarHBondContact O-N 3.22Å; Q287-S291 PolarHBondContact O-OG 2.9Å
288L41.5Very low45Very low74 Ų7486 Ų8639%0.38745%0.453SS..Hα-helixtrans-67.1-33.7173.6-169.167.5000111.3V284 L285 S291 K292V284-L288 HydrophobicContact CG1-CB 4.32Å; V284-L288 VanDerWaalsContact O-CB 3.28Å; V284-L288 WeakPolarHBondContact O-CB 3.36Å; V284-L288 PolarHBondContact O-N 3.2Å; L285-L288 PolarHBondContact O-N 2.95Å; L288-S291 WeakPolarHBondContact CA-OG 3.13Å; L288-S291 PolarHBondContact O-OG 3.17Å; L288-K292 HydrophobicContact CG-CD 4.19Å; L288-K292 VanDerWaalsContact O-CB 3.3Å; L288-K292 WeakPolarHBondContact O-CB 3.46Å; L288-K292 VanDerWaalsContact O-CG 3.24Å; L288-K292 WeakPolarHBondContact O-CG 3.46Å; L288-K292 PolarHBondContact O-N 3.27Å
289L51.3Low46.8Very low42 Ų4282.7 Ų82.722%0.2244%0.442CS..Hα-helixtrans-68.7-49.8173.3-149.994.2000111.6L285 P286 Q287 S291 K292 V293 T621 L625L285-L289 PolarHBondContact O-N 2.83Å; P286-L289 PolarHBondContact O-N 3.1Å; Q287-L289 VanDerWaalsContact C-N 3.3Å; L289-S291 PolarHBondContact O-N 3.03Å; L289-K292 PolarHBondContact O-N 3.09Å; L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 WeakPolarHBondContact O-CG2 3.39Å; L289-V293 PolarHBondContact O-N 3.29Å; L289-T621 HydrophobicContact CD1-CG2 3.77Å; L289-T621 HydrophobicContact CD2-CG2 3.8Å; L289-T621 HydrophobicContact CG-CG2 4.38Å; L289-L625 HydrophobicContact CD1-CD1 4.2Å; L289-L625 HydrophobicContact CD1-CD2 4.26Å; L289-L625 HydrophobicContact CD1-CG 4.36Å; L289-L625 HydrophobicContact CD2-CG 4.41Å
290K51.7Low48.3Very low82 Ų8279 Ų7936%0.35741%0.414SS..Hα-helixtrans-50.2-55174.7-76.2174.1178.2-177.60110.6D16 P286 Q287 K292 V293 F294D16-K290 IonicContact OD1-NZ 3.91Å; P286-K290 WeakPolarHBondContact O-CG 3.32Å; P286-K290 PolarHBondContact O-N 2.93Å; Q287-K290 PolarHBondContact O-N 3.36Å; K290-K292 PolarHBondContact O-N 2.98Å; K290-V293 PolarHBondContact O-N 3.3Å; K290-F294 VanDerWaalsContact O-CD2 3.3Å; K290-F294 WeakPolarHBondContact O-CD2 3.42Å; K290-F294 PolarHBondContact O-N 2.86Å
291S52Low49.8Very low70 Ų7077.9 Ų77.949%0.4940%0.397SS..Hα-helixtrans-64.6-39.7-177.753.50000113.6Q287 L288 L289 G295Q287-S291 PolarHBondContact O-N 3.22Å; Q287-S291 PolarHBondContact O-OG 2.9Å; L288-S291 WeakPolarHBondContact CA-OG 3.13Å; L288-S291 PolarHBondContact O-OG 3.17Å; L289-S291 PolarHBondContact O-N 3.03Å; S291-G295 PolarHBondContact O-N 3.4Å
292K56Low51.4Low138 Ų13875.1 Ų75.160%0.639%0.394SS*.Hα-helixtrans-66.5-42.9175.2-76.3175.6177.8178.20113L288 L289 K290 G295 H296L288-K292 HydrophobicContact CG-CD 4.19Å; L288-K292 VanDerWaalsContact O-CB 3.3Å; L288-K292 WeakPolarHBondContact O-CB 3.46Å; L288-K292 VanDerWaalsContact O-CG 3.24Å; L288-K292 WeakPolarHBondContact O-CG 3.46Å; L288-K292 PolarHBondContact O-N 3.27Å; L289-K292 PolarHBondContact O-N 3.09Å; K290-K292 PolarHBondContact O-N 2.98Å; K292-G295 PolarHBondContact O-N 2.85Å; K292-H296 VanDerWaalsContact O-CB 3.31Å; K292-H296 WeakPolarHBondContact O-CB 3.39Å; K292-H296 PolarHBondContact O-N 2.97Å
293V59.9Low52.5Low12 Ų1272.3 Ų72.37%0.07339%0.388CS..Hα-helixtrans-66-43.7178.5172.60000110.8L289 K290 H296 L297 L625 Y628L289-V293 WeakPolarHBondContact O-CB 3.46Å; L289-V293 WeakPolarHBondContact O-CG2 3.39Å; L289-V293 PolarHBondContact O-N 3.29Å; K290-V293 PolarHBondContact O-N 3.3Å; V293-H296 PolarHBondContact O-N 2.98Å; V293-L297 HydrophobicContact CG1-CD1 4.04Å; V293-L297 WeakPolarHBondContact O-CB 3.23Å; V293-L297 WeakPolarHBondContact O-CG 3.33Å; V293-L297 PolarHBondContact O-N 3.49Å; V293-L625 HydrophobicContact CG2-CD2 4.46Å; V293-Y628 HydrophobicContact CG1-CD2 4.31Å; V293-Y628 HydrophobicContact CG1-CE2 4.46Å; V293-Y628 HydrophobicContact CG1-CG 4.44Å
294F57.6Low53.8Low59 Ų5967.2 Ų67.226%0.25936%0.36SS..Hα-helixtrans-65.2-42175-83.9-68.7000112.9L12 K290 H296 L297 E298L12-F294 HydrophobicContact CD1-CE2 3.95Å; L12-F294 HydrophobicContact CD1-CZ 4.13Å; K290-F294 VanDerWaalsContact O-CD2 3.3Å; K290-F294 WeakPolarHBondContact O-CD2 3.42Å; K290-F294 PolarHBondContact O-N 2.86Å; F294-H296 VanDerWaalsContact C-N 3.34Å; F294-H296 PolarHBondContact O-N 2.9Å; F294-L297 HydrophobicContact CD1-CD1 4.36Å; F294-L297 WeakPolarHBondContact O-CB 3.44Å; F294-L297 PolarHBondContact O-N 2.83Å; F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.48Å
295G61.5Low54.8Low28 Ų2865.3 Ų65.329%0.28935%0.347SS..Hα-helixtrans-65.1-35.3175.200000113.3S291 K292 T299S291-G295 PolarHBondContact O-N 3.4Å; K292-G295 PolarHBondContact O-N 2.85Å; G295-T299 WeakPolarHBondContact O-CB 3.42Å; G295-T299 PolarHBondContact O-N 3.14Å; G295-T299 PolarHBondContact O-OG1 3.01Å
296H63.2Low56Low92 Ų9267 Ų6743%0.42635%0.349SS..Hα-helixtrans-73-36.7174.8-159.6-87.5000111.7K292 V293 F294 T299 V300 Y628K292-H296 VanDerWaalsContact O-CB 3.31Å; K292-H296 WeakPolarHBondContact O-CB 3.39Å; K292-H296 PolarHBondContact O-N 2.97Å; V293-H296 PolarHBondContact O-N 2.98Å; F294-H296 VanDerWaalsContact C-N 3.34Å; F294-H296 PolarHBondContact O-N 2.9Å; H296-T299 PolarHBondContact O-N 2.83Å; H296-V300 WeakPolarHBondContact O-CB 3.47Å; H296-V300 VanDerWaalsContact O-CG2 3.23Å; H296-V300 WeakPolarHBondContact O-CG2 3.32Å; H296-V300 PolarHBondContact O-N 2.79Å; H296-Y628 HydrophobicContact CB-CE1 4.34Å; H296-Y628 AromaticContact ND1-CE1 3.61Å; H296-Y628 AromaticContact ND1-CZ 3.64Å; H296-Y628 PolarHBondContact ND1-OH 3.27Å
297L61.8Low56.9Low21 Ų2169.3 Ų69.311%0.1135%0.353CS..Hα-helixtrans-59.1-46.8168.9-83161.5000112V293 F294 T299 V300 Y301 L397 F400 Y628 W631V293-L297 HydrophobicContact CG1-CD1 4.04Å; V293-L297 WeakPolarHBondContact O-CB 3.23Å; V293-L297 WeakPolarHBondContact O-CG 3.33Å; V293-L297 PolarHBondContact O-N 3.49Å; F294-L297 HydrophobicContact CD1-CD1 4.36Å; F294-L297 WeakPolarHBondContact O-CB 3.44Å; F294-L297 PolarHBondContact O-N 2.83Å; L297-T299 VanDerWaalsContact C-N 3.33Å; L297-T299 PolarHBondContact O-N 2.77Å; L297-V300 PolarHBondContact O-N 3.37Å; L297-Y301 VanDerWaalsContact O-CB 3.29Å; L297-Y301 WeakPolarHBondContact O-CB 3.18Å; L297-Y301 PolarHBondContact O-N 3.31Å; L297-L397 HydrophobicContact CD2-CD1 4.42Å; L297-F400 HydrophobicContact CD1-CE1 3.95Å; L297-F400 HydrophobicContact CD2-CE1 4.25Å; L297-Y628 HydrophobicContact CD1-CE2 4.39Å; L297-Y628 HydrophobicContact CD2-CE2 3.73Å; L297-Y628 HydrophobicContact CG-CE2 3.71Å; L297-Y628 PolarHBondContact N-OH 3.33Å; L297-W631 HydrophobicContact CD2-CE3 4.49Å; L297-W631 HydrophobicContact CD2-CH2 4Å; L297-W631 HydrophobicContact CD2-CZ3 3.79Å
298E58.5Low57.4Low101 Ų10165.9 Ų65.947%0.47234%0.344SS..Hα-helixtrans-63.3-38.5177.2-174.5169.6-157.500111.9F294 S302F294-E298 WeakPolarHBondContact O-CB 3.39Å; F294-E298 PolarHBondContact O-N 3.48Å; E298-S302 VanDerWaalsContact O-CB 3.24Å; E298-S302 WeakPolarHBondContact O-CB 3.29Å; E298-S302 PolarHBondContact O-N 3.2Å; E298-S302 PolarHBondContact O-OG 3.17Å
299T65.4Low57.9Low80 Ų8068.9 Ų68.949%0.49135%0.354SS..Hα-helixtrans-68.3-44.2175.2-580000112.1G295 H296 L297 S302 S303G295-T299 WeakPolarHBondContact O-CB 3.42Å; G295-T299 PolarHBondContact O-N 3.14Å; G295-T299 PolarHBondContact O-OG1 3.01Å; H296-T299 PolarHBondContact O-N 2.83Å; L297-T299 VanDerWaalsContact C-N 3.33Å; L297-T299 PolarHBondContact O-N 2.77Å; T299-S302 PolarHBondContact O-N 3.29Å; T299-S303 WeakPolarHBondContact O-CB 3.44Å; T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 PolarHBondContact O-OG 3.14Å
300V59Low58.3Low40 Ų4069.7 Ų69.724%0.24236%0.363CS..Hα-helixtrans-66.2-44.7177.6166.70000110.6H296 L297 S303 F304 W631 L632H296-V300 WeakPolarHBondContact O-CB 3.47Å; H296-V300 VanDerWaalsContact O-CG2 3.23Å; H296-V300 WeakPolarHBondContact O-CG2 3.32Å; H296-V300 PolarHBondContact O-N 2.79Å; L297-V300 PolarHBondContact O-N 3.37Å; V300-S303 PolarHBondContact O-N 3.43Å; V300-F304 WeakPolarHBondContact O-CB 3.41Å; V300-F304 PolarHBondContact O-N 2.8Å; V300-W631 HydrophobicContact CG1-CZ3 4.47Å; V300-L632 HydrophobicContact CB-CD2 4.47Å; V300-L632 HydrophobicContact CG1-CD2 3.97Å; V300-L632 HydrophobicContact CG2-CD2 3.9Å
301Y60.2Low58.3Low64 Ų6468.7 Ų68.725%0.25136%0.362SS..Hα-helixtrans-59.4-48.7173.3173.6-108.5000111.5M1 L297 S303 F304 M305 F393M1-Y301 HydrophobicContact CE-CE2 3.74Å; M1-Y301 VanDerWaalsContact CE-OH 3.24Å; M1-Y301 WeakPolarHBondContact CE-OH 3.2Å; M1-Y301 HydrophobicContact SD-CE1 4.22Å; M1-Y301 HydrophobicContact SD-CE2 3.94Å; L297-Y301 VanDerWaalsContact O-CB 3.29Å; L297-Y301 WeakPolarHBondContact O-CB 3.18Å; L297-Y301 PolarHBondContact O-N 3.31Å; Y301-S303 VanDerWaalsContact C-N 3.25Å; Y301-S303 PolarHBondContact O-N 3.01Å; Y301-F304 PolarHBondContact O-N 3.22Å; Y301-M305 HydrophobicContact CD2-CG 3.92Å; Y301-M305 HydrophobicContact CE1-CG 4.07Å; Y301-M305 HydrophobicContact CE2-CG 3.44Å; Y301-M305 VanDerWaalsContact CE2-CG 3.44Å; Y301-M305 HydrophobicContact CE2-SD 3.77Å; Y301-M305 HydrophobicContact CG-CG 4.43Å; Y301-M305 WeakPolarHBondContact O-CG 3.46Å; Y301-M305 PolarHBondContact O-N 2.99Å; Y301-F393 HydrophobicContact CD2-CD1 4.28Å; Y301-F393 AromaticContact CD2-CE1 3.46Å; Y301-F393 HydrophobicContact CD2-CE1 3.46Å; Y301-F393 VanDerWaalsContact CD2-CE1 3.46Å; Y301-F393 HydrophobicContact CD2-CE2 4.48Å; Y301-F393 AromaticContact CD2-CZ 3.6Å; Y301-F393 HydrophobicContact CD2-CZ 3.6Å; Y301-F393 HydrophobicContact CE2-CD1 4.3Å; Y301-F393 AromaticContact CE2-CE1 3.85Å; Y301-F393 HydrophobicContact CE2-CE1 3.85Å; Y301-F393 HydrophobicContact CE2-CZ 4.4Å; Y301-F393 HydrophobicContact CG-CZ 4.47Å
302S61.7Low58.3Low53 Ų5369 Ų6937%0.37136%0.355SS..Hα-helixtrans-60.2-35.3177.4-62.30000112.6E298 T299 K306E298-S302 VanDerWaalsContact O-CB 3.24Å; E298-S302 WeakPolarHBondContact O-CB 3.29Å; E298-S302 PolarHBondContact O-N 3.2Å; E298-S302 PolarHBondContact O-OG 3.17Å; T299-S302 PolarHBondContact O-N 3.29Å; S302-K306 WeakPolarHBondContact O-CB 3.42Å; S302-K306 VanDerWaalsContact O-CG 3.23Å; S302-K306 WeakPolarHBondContact O-CG 3.43Å; S302-K306 PolarHBondContact O-N 3.1Å
303S59.1Low58.1Low69 Ų6967.8 Ų67.848%0.48335%0.351SS..Hα-helixtrans-75.1-41.5177.9-56.70000112T299 V300 Y301 K306 Y307T299-S303 WeakPolarHBondContact O-CB 3.44Å; T299-S303 PolarHBondContact O-N 2.85Å; T299-S303 PolarHBondContact O-OG 3.14Å; V300-S303 PolarHBondContact O-N 3.43Å; Y301-S303 VanDerWaalsContact C-N 3.25Å; Y301-S303 PolarHBondContact O-N 3.01Å; S303-K306 PolarHBondContact O-N 3.3Å; S303-Y307 WeakPolarHBondContact O-CB 3.43Å; S303-Y307 PolarHBondContact O-N 3.46Å
304F61.5Low57.6Low36 Ų3670.9 Ų70.916%0.15837%0.368CS..Hα-helixtrans-60.4-47.8173.5173.4-99.7000111.4V300 Y301 Y307 A308 F393 L639V300-F304 WeakPolarHBondContact O-CB 3.41Å; V300-F304 PolarHBondContact O-N 2.8Å; Y301-F304 PolarHBondContact O-N 3.22Å; F304-Y307 PolarHBondContact O-N 3.01Å; F304-A308 WeakPolarHBondContact O-CB 3.41Å; F304-A308 PolarHBondContact O-N 3.49Å; F304-F393 AromaticContact CD1-CD2 3.84Å; F304-F393 HydrophobicContact CD1-CD2 3.84Å; F304-F393 HydrophobicContact CD1-CE2 4.13Å; F304-F393 HydrophobicContact CD1-CG 4.37Å; F304-F393 HydrophobicContact CE1-CB 4.05Å; F304-F393 AromaticContact CE1-CD2 3.66Å; F304-F393 HydrophobicContact CE1-CD2 3.66Å; F304-F393 HydrophobicContact CE1-CE2 4.4Å; F304-F393 AromaticContact CE1-CG 3.93Å; F304-F393 HydrophobicContact CE1-CG 3.93Å; F304-F393 HydrophobicContact CG-CD2 4.42Å; F304-F393 HydrophobicContact CG-CE2 4.5Å; F304-F393 HydrophobicContact CZ-CB 4.38Å; F304-F393 HydrophobicContact CZ-CD2 4.09Å; F304-L639 HydrophobicContact CD2-CD1 4.06Å; F304-L639 HydrophobicContact CD2-CD2 4.13Å; F304-L639 HydrophobicContact CD2-CG 4.41Å; F304-L639 HydrophobicContact CE2-CD1 3.86Å; F304-L639 HydrophobicContact CE2-CD2 4.29Å; F304-L639 HydrophobicContact CE2-CG 4.14Å
305M55.7Low57.4Low35 Ų3571.8 Ų71.817%0.17237%0.371CS..Hα-helixtrans-65.5-40.8177.4-65.1-55.1-73.300111.8Y301 Y307 A308 F309Y301-M305 HydrophobicContact CD2-CG 3.92Å; Y301-M305 HydrophobicContact CE1-CG 4.07Å; Y301-M305 HydrophobicContact CE2-CG 3.44Å; Y301-M305 VanDerWaalsContact CE2-CG 3.44Å; Y301-M305 HydrophobicContact CE2-SD 3.77Å; Y301-M305 HydrophobicContact CG-CG 4.43Å; Y301-M305 WeakPolarHBondContact O-CG 3.46Å; Y301-M305 PolarHBondContact O-N 2.99Å; M305-Y307 VanDerWaalsContact C-N 3.32Å; M305-Y307 PolarHBondContact O-N 3.25Å; M305-A308 PolarHBondContact O-N 3.01Å; M305-F309 HydrophobicContact CE-CE2 4.16Å; M305-F309 WeakPolarHBondContact O-CB 3.35Å; M305-F309 VanDerWaalsContact O-CD2 3.22Å; M305-F309 WeakPolarHBondContact O-CD2 3.4Å; M305-F309 PolarHBondContact O-N 3.41Å
306K61.5Low56.7Low156 Ų15674.2 Ų74.268%0.67838%0.378SS*.Hα-helixtrans-59.4-41.5172.2-80.6174.7178.9-178.90112.4S302 S303 S310S302-K306 WeakPolarHBondContact O-CB 3.42Å; S302-K306 VanDerWaalsContact O-CG 3.23Å; S302-K306 WeakPolarHBondContact O-CG 3.43Å; S302-K306 PolarHBondContact O-N 3.1Å; S303-K306 PolarHBondContact O-N 3.3Å; K306-S310 VanDerWaalsContact O-CB 3.26Å; K306-S310 WeakPolarHBondContact O-CB 3.46Å; K306-S310 PolarHBondContact O-N 2.93Å
307Y55.8Low55.9Low92 Ų9274.4 Ų74.436%0.36138%0.379SS..Hα-helixtrans-64.6-46.4175-177.6-101.9000111.5S303 F304 M305 F309 S310 N311 L639S303-Y307 WeakPolarHBondContact O-CB 3.43Å; S303-Y307 PolarHBondContact O-N 3.46Å; F304-Y307 PolarHBondContact O-N 3.01Å; M305-Y307 VanDerWaalsContact C-N 3.32Å; M305-Y307 PolarHBondContact O-N 3.25Å; Y307-F309 PolarHBondContact O-N 2.95Å; Y307-S310 PolarHBondContact O-N 3.39Å; Y307-N311 VanDerWaalsContact O-CB 3.28Å; Y307-N311 WeakPolarHBondContact O-CB 3.37Å; Y307-N311 PolarHBondContact O-N 3.49Å; Y307-L639 HydrophobicContact CD1-CD2 4.05Å; Y307-L639 HydrophobicContact CE1-CD2 4.19Å
308A50.9Low55.3Low40 Ų4080 Ų8033%0.33140%0.404SS..Hα-helixtrans-59.1-47.8177.200000112.1F304 M305 N311 H312F304-A308 WeakPolarHBondContact O-CB 3.41Å; F304-A308 PolarHBondContact O-N 3.49Å; M305-A308 PolarHBondContact O-N 3.01Å; A308-N311 PolarHBondContact O-N 3.05Å; A308-H312 VanDerWaalsContact O-CB 3.26Å; A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.45Å
309F52Low54.6Low136 Ų13680 Ų8060%0.59640%0.404SS*.Hα-helixtrans-64.3-42.5175.9-81.9-65000112.8M305 Y307 H312 Q313M305-F309 HydrophobicContact CE-CE2 4.16Å; M305-F309 WeakPolarHBondContact O-CB 3.35Å; M305-F309 VanDerWaalsContact O-CD2 3.22Å; M305-F309 WeakPolarHBondContact O-CD2 3.4Å; M305-F309 PolarHBondContact O-N 3.41Å; Y307-F309 PolarHBondContact O-N 2.95Å; F309-H312 PolarHBondContact O-N 2.75Å; F309-Q313 WeakPolarHBondContact O-CB 3.16Å; F309-Q313 PolarHBondContact O-N 2.85Å
310S58.9Low53.6Low59 Ų5983.7 Ų83.741%0.41342%0.415SS..Hα-helixtrans-65.1-40.6177176.70000111.9K306 Y307 Q313 N314K306-S310 VanDerWaalsContact O-CB 3.26Å; K306-S310 WeakPolarHBondContact O-CB 3.46Å; K306-S310 PolarHBondContact O-N 2.93Å; Y307-S310 PolarHBondContact O-N 3.39Å; S310-Q313 PolarHBondContact O-N 3.44Å; S310-N314 WeakPolarHBondContact O-CB 3.37Å; S310-N314 PolarHBondContact O-N 2.89Å; S310-N314 PolarHBondContact O-ND2 3.38Å; S310-N314 PolarHBondContact O-OD1 2.99Å
311N53.3Low52.9Low62 Ų6288.3 Ų88.333%0.33244%0.439SS..Hα-helixtrans-70.1-35.4178.4-148.522.5000111.4Y307 A308 K315Y307-N311 VanDerWaalsContact O-CB 3.28Å; Y307-N311 WeakPolarHBondContact O-CB 3.37Å; Y307-N311 PolarHBondContact O-N 3.49Å; A308-N311 PolarHBondContact O-N 3.05Å; N311-K315 WeakPolarHBondContact O-CB 3.48Å; N311-K315 PolarHBondContact O-N 3.25Å
312H50.3Low51.7Low77 Ų7789.2 Ų89.236%0.35646%0.455SS..Hα-helixtrans-63.6-44.4171-176.4-77.2000112A308 F309 K315 L316 T386A308-H312 VanDerWaalsContact O-CB 3.26Å; A308-H312 WeakPolarHBondContact O-CB 3.48Å; A308-H312 PolarHBondContact O-N 3.45Å; F309-H312 PolarHBondContact O-N 2.75Å; H312-K315 PolarHBondContact O-N 3.04Å; H312-L316 WeakPolarHBondContact O-CG 3.43Å; H312-L316 PolarHBondContact O-N 3.42Å; H312-L316 VanDerWaalsContact O-N 3.13Å; H312-T386 PolarHBondContact CD2-OG1 3.4Å
313Q52.6Low50.3Low111 Ų11192.7 Ų92.752%0.51948%0.479SS..Hα-helixtrans-67.1-45.9176.9-178.1167.8-13.200111.9F309 S310 K315 L316 E317F309-Q313 WeakPolarHBondContact O-CB 3.16Å; F309-Q313 PolarHBondContact O-N 2.85Å; S310-Q313 PolarHBondContact O-N 3.44Å; Q313-K315 VanDerWaalsContact C-N 3.26Å; Q313-K315 PolarHBondContact O-N 3.34Å; Q313-L316 WeakPolarHBondContact O-CB 3.45Å; Q313-L316 PolarHBondContact O-N 3.46Å; Q313-L316 VanDerWaalsContact O-N 3.14Å; Q313-E317 HydrophobicContact CG-CG 4.49Å; Q313-E317 VanDerWaalsContact CG-OE1 3.22Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.44Å; Q313-E317 PolarHBondContact NE2-OE1 2.92Å; Q313-E317 WeakPolarHBondContact O-CG 3.4Å; Q313-E317 PolarHBondContact O-N 3.48Å
314N50.3Low48.9Very low77 Ų7792.1 Ų92.141%0.41248%0.484SS..Hα-helixtrans-57.1-39.6174.2-68-15.1000111.7S310 E317 H318S310-N314 WeakPolarHBondContact O-CB 3.37Å; S310-N314 PolarHBondContact O-N 2.89Å; S310-N314 PolarHBondContact O-ND2 3.38Å; S310-N314 PolarHBondContact O-OD1 2.99Å; N314-E317 PolarHBondContact O-N 2.92Å; N314-H318 VanDerWaalsContact O-CB 3.31Å; N314-H318 WeakPolarHBondContact O-CB 3.3Å; N314-H318 PolarHBondContact O-N 3.36Å
315K51.5Low47.5Very low78 Ų7895.5 Ų95.534%0.33951%0.512SS..Hα-helixtrans-63.1-44.9176.1-169.9-171.1177.7-160.40111.7N311 H312 Q313 H318 E319 N382N311-K315 WeakPolarHBondContact O-CB 3.48Å; N311-K315 PolarHBondContact O-N 3.25Å; H312-K315 PolarHBondContact O-N 3.04Å; Q313-K315 VanDerWaalsContact C-N 3.26Å; Q313-K315 PolarHBondContact O-N 3.34Å; K315-H318 PolarHBondContact O-N 3.1Å; K315-E319 WeakPolarHBondContact CE-OE1 3.48Å; K315-E319 WeakPolarHBondContact O-CB 3.33Å; K315-E319 WeakPolarHBondContact O-CG 3.31Å; K315-E319 PolarHBondContact O-N 3.19Å; K315-N382 PolarHBondContact NZ-OD1 3.4Å
316L47.6Very low46.2Very low80 Ų8099.8 Ų99.842%0.41954%0.541SS..Hα-helixtrans-61.8-43.6175.6-70.7169.4000112.1H312 Q313 H318 E319 Q320H312-L316 WeakPolarHBondContact O-CG 3.43Å; H312-L316 PolarHBondContact O-N 3.42Å; H312-L316 VanDerWaalsContact O-N 3.13Å; Q313-L316 WeakPolarHBondContact O-CB 3.45Å; Q313-L316 PolarHBondContact O-N 3.46Å; Q313-L316 VanDerWaalsContact O-N 3.14Å; L316-H318 VanDerWaalsContact C-N 3.34Å; L316-E319 PolarHBondContact O-N 3.14Å; L316-Q320 WeakPolarHBondContact O-CG 3.33Å; L316-Q320 PolarHBondContact O-N 3.08Å; L316-Q320 VanDerWaalsContact O-N 3.12Å
317E47.3Very low44.6Very low95 Ų95100 Ų10044%0.44454%0.544SS..Hα-helixtrans-68.2-33.3178.1-70174.4-162.500111.8Q313 N314 N321Q313-E317 HydrophobicContact CG-CG 4.49Å; Q313-E317 VanDerWaalsContact CG-OE1 3.22Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.44Å; Q313-E317 PolarHBondContact NE2-OE1 2.92Å; Q313-E317 WeakPolarHBondContact O-CG 3.4Å; Q313-E317 PolarHBondContact O-N 3.48Å; N314-E317 PolarHBondContact O-N 2.92Å; E317-N321 PolarHBondContact O-N 3.44Å; E317-N321 PolarHBondContact O-ND2 2.79Å
318H47.3Very low43.3Very low138 Ų138103.2 Ų103.264%0.63956%0.56SS**Hα-helixtrans-76.7-31.8177-143.9-45.2000113.3N314 K315 L316 S322N314-H318 VanDerWaalsContact O-CB 3.31Å; N314-H318 WeakPolarHBondContact O-CB 3.3Å; N314-H318 PolarHBondContact O-N 3.36Å; K315-H318 PolarHBondContact O-N 3.1Å; L316-H318 VanDerWaalsContact C-N 3.34Å; H318-S322 VanDerWaalsContact O-CB 3.27Å; H318-S322 WeakPolarHBondContact O-CB 3.36Å; H318-S322 PolarHBondContact O-N 3.45Å
319E43.9Very low42.1Very low101 Ų101110.1 Ų110.147%0.47258%0.583SS.*Hα-helixtrans-74.9-27.2174.5-76-175.7-15600113K315 L316K315-E319 WeakPolarHBondContact CE-OE1 3.48Å; K315-E319 WeakPolarHBondContact O-CB 3.33Å; K315-E319 WeakPolarHBondContact O-CG 3.31Å; K315-E319 PolarHBondContact O-N 3.19Å; L316-E319 PolarHBondContact O-N 3.14Å
320Q46.3Very low41Very low158 Ų158108.5 Ų108.574%0.73859%0.588SS**Hα-helixtrans-80.4-24175.2-71.7-176.320.300113.9L316L316-Q320 WeakPolarHBondContact O-CG 3.33Å; L316-Q320 PolarHBondContact O-N 3.08Å; L316-Q320 VanDerWaalsContact O-N 3.12Å
321N42.9Very low39.6Very low137 Ų137112.3 Ų112.373%0.73361%0.609SS**SBendtrans-104.40.8-175.5-70.5-67000114.7E317E317-N321 PolarHBondContact O-N 3.44Å; E317-N321 PolarHBondContact O-ND2 2.79Å
322S36.3Very low38.4Very low83 Ų83120 Ų12058%0.5864%0.635SS**  trans-112.273.1-175.7-160.20000113.2H318H318-S322 VanDerWaalsContact O-CB 3.27Å; H318-S322 WeakPolarHBondContact O-CB 3.36Å; H318-S322 PolarHBondContact O-N 3.45Å
323S32Very low37.3Very low126 Ų126123.8 Ų123.888%0.88166%0.658SS**  trans-120.361.7170.767.40000111.4
324G29.8Very low36.2Very low58 Ų58121.3 Ų121.360%0.59866%0.662SS**  trans-167.5116.2-177.900000115.8
325S30.4Very low35.2Very low107 Ų107123.6 Ų123.675%0.74868%0.679SS**  trans47101.6147.160.80000121.1
326T29.4Very low34.3Very low125 Ų125127.7 Ų127.777%0.76770%0.699SS**  56.7121.6123.754.90000122.8
327E27.8Very low33.4Very low159 Ų159130.3 Ų130.374%0.74371%0.713SS**  85.8135126.7-75.8-163.6149.400124.1
328F27.6Very low32.6Very low160 Ų160134 Ų13470%0.70273%0.734SS**  trans72.8106.5141.1-84.8-53.6000123.4
329K27.7Very low31.5Very low185 Ų185131.6 Ų131.680%0.80474%0.739SS**  109.1146.9114.1-134.6162.4-171.6168.80117.7
330S27.2Very low30.7Very low102 Ų102136 Ų13671%0.71376%0.756SS**  trans-79.5150.6-177.653.40000113.9
331V31.2Very low29.8Very low140 Ų140134.1 Ų134.185%0.84876%0.758SS**  trans-166.1150.6134.9132.50000109.7
332Y26.5Very low28.9Very low222 Ų222132.9 Ų132.987%0.87176%0.76SS**  trans-77164171.9-86.6-113.4000109.8
333D27.9Very low28.8Very low157 Ų157136 Ų13684%0.8477%0.769SS**  178.8176.260.2-167.25.4000109
334G28.7Very low28.4Very low60 Ų60137.3 Ų137.362%0.61977%0.766SS**  trans113.187.9159.600000118.8
335V30.3Very low28.5Very low125 Ų125141.9 Ų141.976%0.75878%0.776SS**  trans3.8135136-159.70000116.2
336E32.4Very low28.5Very low163 Ų163142.2 Ų142.276%0.76278%0.776SS**  -175.3142.473.8-163.9148.8-109.700117.6
337N28.9Very low28.5Very low135 Ų135148.1 Ų148.172%0.72278%0.784SS**  trans22.9126.3154.4-54.5-29.3000124.6
338I29.9Very low28.5Very low173 Ų173146.4 Ų146.489%0.88778%0.778SS**  -134.2144.7129.3-61.8-175.8000107.9
339A25.3Very low28.7Very low88 Ų88146.9 Ų146.973%0.72778%0.78SS**  trans-110.8155.8-169.400000115.1
340F25.5Very low28.6Very low192 Ų192144.1 Ų144.184%0.84279%0.785SS**  trans-122.9156.2163.7-84-83.1000109.1S342F340-S342 PolarHBondContact O-N 3.08Å
341P27.3Very low28.6Very low119 Ų119141.9 Ų141.977%0.77378%0.778SS**  trans-69.7128.5-167.326.8-34.7000113.1I343P341-I343 PolarHBondContact O-N 3.33Å
342S26Very low28.5Very low111 Ų111143 Ų14378%0.77678%0.779SS**  trans-67.1128.2175.2-53.80000111.8F340F340-S342 PolarHBondContact O-N 3.08Å
343I32.5Very low28.7Very low148 Ų148140 Ų14076%0.75978%0.776SS**  trans-123117.6157.4-61.6177.3000105.5P341 L345P341-I343 PolarHBondContact O-N 3.33Å; I343-L345 HydrophobicContact CG2-CD1 4.33Å; I343-L345 PolarHBondContact O-N 2.88Å
344D25Very low28.7Very low155 Ų155140 Ų14083%0.82977%0.773SS**  trans-70.4119.5-170.9-67.8-64.7000112.3
345L31.1Very low28.8Very low153 Ų153142.5 Ų142.580%0.80178%0.776SS**  trans-135.3150.9163.8-90.5104.3000111.8I343 R347I343-L345 HydrophobicContact CG2-CD1 4.33Å; I343-L345 PolarHBondContact O-N 2.88Å; L345-R347 PolarHBondContact O-N 3.35Å
346P30.5Very low28.7Very low115 Ų115143.3 Ų143.375%0.74777%0.772SS**  trans-77.4128-161.7-1834.1000114.5I348P346-I348 PolarHBondContact O-N 3.46Å
347R28.4Very low28.6Very low248 Ų248141.5 Ų141.594%0.93677%0.772SS**  trans-73.2104.4175.1177.1-158.4-70.2175.2-4.5111.7L345L345-R347 PolarHBondContact O-N 3.35Å
348I28.1Very low28.6Very low123 Ų123141.3 Ų141.363%0.63177%0.771SS**  trans-141.7144.5164.7-31.2178.6000111.4P346P346-I348 PolarHBondContact O-N 3.46Å
349F31.4Very low28.6Very low170 Ų170141.6 Ų141.675%0.74677%0.768SS**  trans72.771.9171.9-57.3-63.5000118.7
350S25.6Very low28.8Very low128 Ų128147.4 Ų147.490%0.89578%0.778SS**  trans-62.3135130-53.50000108.9
351G29.1Very low28.9Very low55 Ų55143 Ų14357%0.56777%0.771SS**  trans174.692.1178.500000115
352N27.9Very low28.9Very low162 Ų162143.7 Ų143.787%0.86677%0.773SS**  trans55.188.3159.5-56.13.8000117.2
353I30.3Very low29.1Very low159 Ų159146.8 Ų146.882%0.81578%0.775SS**  trans-96.2112.3149-64.1176.2000106.7T355I353-T355 HydrophobicContact CG2-CG2 3.95Å
354M28.1Very low28.9Very low159 Ų159145.2 Ų145.278%0.78377%0.773SS**  trans-102.691.4172.6-171.983.191.700108.5H356M354-H356 PolarHBondContact O-N 2.97Å; M354-H356 VanDerWaalsContact O-N 3.15Å
355T32.1Very low29.1Very low111 Ų111147.3 Ų147.368%0.68178%0.775SS**  trans-77.695.4173.345.10000110.3I353 T357I353-T355 HydrophobicContact CG2-CG2 3.95Å; T355-T357 VanDerWaalsContact C-N 3.32Å; T355-T357 PolarHBondContact O-N 3.49Å
356H26.6Very low29.1Very low142 Ų142148 Ų14866%0.65778%0.778SS**  trans-70.691.7158-83.8-100.1000109M354 D358M354-H356 PolarHBondContact O-N 2.97Å; M354-H356 VanDerWaalsContact O-N 3.15Å; H356-D358 IonicContact ND1-OD1 3.44Å
357T31.8Very low29.1Very low125 Ų125146.1 Ų146.177%0.76778%0.78SS**  trans-87.690.915645.10000107.6T355T355-T357 VanDerWaalsContact C-N 3.32Å; T355-T357 PolarHBondContact O-N 3.49Å
358D28.2Very low29.2Very low132 Ų132143.2 Ų143.271%0.70678%0.777SS**  trans-65.5150.3174.1-70.1-40000111.1H356 F360H356-D358 IonicContact ND1-OD1 3.44Å; D358-F360 PolarHBondContact O-N 3.22Å
359Q29.7Very low29.3Very low178 Ų178146.9 Ų146.983%0.83279%0.792SS**  trans-81.5119.6-169-63.2171.40.100110.5S361Q359-S361 PolarHBondContact O-N 3.13Å
360F29.7Very low29.2Very low210 Ų210142.4 Ų142.492%0.92179%0.793SS**  trans-77.6107.2159.6-101.8-86.8000108.9D358 T362D358-F360 PolarHBondContact O-N 3.22Å; F360-T362 PolarHBondContact O-N 2.96Å
361S26.8Very low29.4Very low101 Ų101142.5 Ų142.571%0.70679%0.788SS**  trans-69.3124.4-179.7-56.70000111.9Q359 E363Q359-S361 PolarHBondContact O-N 3.13Å; S361-E363 PolarHBondContact O-N 2.93Å
362T28.3Very low29.4Very low132 Ų132147.3 Ų147.381%0.8180%0.801SS**  trans-86.190.7169.1-44.70000109.7F360 T364F360-T362 PolarHBondContact O-N 2.96Å; T362-T364 PolarHBondContact O-N 2.99Å
363E30.9Very low29.5Very low177 Ų177142.4 Ų142.483%0.82778%0.779SS**  trans-64.7129.2169.6-71.9-160.4136.800110.2S361S361-E363 PolarHBondContact O-N 2.93Å
364T27.8Very low29.4Very low115 Ų115144.8 Ų144.871%0.70678%0.784SS**  trans-100.1113.3-179.7-57.80000109.1T362T362-T364 PolarHBondContact O-N 2.99Å
365F28.6Very low29.8Very low199 Ų199146.2 Ų146.287%0.87379%0.786SS**  trans-114.1134.2165-106.9-87.2000110.8
366L30.5Very low29.8Very low166 Ų166147 Ų14787%0.86978%0.782SS**  trans-84.5134.5-174.4-66.7164.8000110.6
367G32.2Very low30.1Very low76 Ų76143.4 Ų143.478%0.78477%0.773SS**  trans-147.4128.5165.800000107.9
368E30.4Very low30.3Very low188 Ų188143.9 Ų143.988%0.87976%0.764SS**  trans-89178.7-173.6-64.1-174.6106.600112.6
369E30.1Very low30.6Very low200 Ų200142.3 Ų142.394%0.93576%0.76SS**  trans74.2131.2172.5-48.7-166.5160.100117
370G29.7Very low31Very low76 Ų76139.1 Ų139.178%0.78475%0.747SS**  trans139.166.2175.600000115.6
371V29.5Very low31.5Very low130 Ų130135.6 Ų135.679%0.78873%0.733SS**  trans-71.5141.1169.9-171.30000109.6
372N28.6Very low32.3Very low156 Ų156132.7 Ų132.783%0.83471%0.71SS**  trans95.162.3171.6-48-63000119.7
373S29.8Very low33Very low59 Ų59129.8 Ų129.841%0.41370%0.695SS.*  -160.8102.5128.3-167.10000111.8E376S373-E376 WeakPolarHBondContact OG-CB 3.41Å; S373-E376 PolarHBondContact OG-OE2 2.84Å; S373-E376 VanDerWaalsContact OG-OE2 3.06Å
374F28.9Very low34.1Very low208 Ų208124.6 Ų124.691%0.91267%0.673SS**SBendtrans-119.612.6-178.7-118.3-80.6000114.1
375K34.9Very low35.3Very low190 Ų190123.7 Ų123.783%0.82666%0.661SS**SBendtrans-118.1-13.1175.7-74.3-168.4174-174.80114.2T379K375-T379 PolarHBondContact O-OG1 3.07Å
376E33.1Very low36.5Very low127 Ų127117.3 Ų117.359%0.59364%0.638SS**SBendtrans-91-43.6-170.2-152.9152.3-145.700111.6S373 K378 T379 I380S373-E376 WeakPolarHBondContact OG-CB 3.41Å; S373-E376 PolarHBondContact OG-OE2 2.84Å; S373-E376 VanDerWaalsContact OG-OE2 3.06Å; E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 3Å; E376-T379 WeakPolarHBondContact O-CB 3.44Å; E376-T379 PolarHBondContact O-N 3.49Å; E376-T379 PolarHBondContact O-OG1 3.31Å; E376-I380 PolarHBondContact O-N 2.8Å
377S33.5Very low38.1Very low66 Ų66113.6 Ų113.646%0.46262%0.619SS.*Hα-helixtrans-55-41.9-179.7-30.30000113.4T379 I380 E381S377-T379 PolarHBondContact O-N 3.44Å; S377-I380 PolarHBondContact O-N 3.42Å; S377-I380 VanDerWaalsContact O-N 3.13Å; S377-E381 PolarHBondContact O-N 2.89Å; S377-E381 VanDerWaalsContact O-N 3.08Å
378K34.5Very low39.6Very low135 Ų135115.6 Ų115.659%0.58761%0.606SS**Hα-helixtrans-63-23.4176.8-79-164.8170.6-164.50114E376 N382E376-K378 VanDerWaalsContact C-N 3.32Å; E376-K378 PolarHBondContact O-N 3Å; K378-N382 PolarHBondContact O-ND2 3.44Å
379T36.3Very low40.8Very low100 Ų100111.9 Ų111.961%0.61359%0.585SS**Hα-helixtrans-78.6-36.4177.3-47.10000110.3K375 E376 S377 S383K375-T379 PolarHBondContact O-OG1 3.07Å; E376-T379 WeakPolarHBondContact O-CB 3.44Å; E376-T379 PolarHBondContact O-N 3.49Å; E376-T379 PolarHBondContact O-OG1 3.31Å; S377-T379 PolarHBondContact O-N 3.44Å; T379-S383 PolarHBondContact O-N 3.1Å
380I36.6Very low42.4Very low111 Ų111104.4 Ų104.457%0.56955%0.55SS*.Hα-helixtrans-68.2-53.5178.6-59.6170000109.9E376 S377 N382 S383 D384E376-I380 PolarHBondContact O-N 2.8Å; S377-I380 PolarHBondContact O-N 3.42Å; S377-I380 VanDerWaalsContact O-N 3.13Å; I380-N382 VanDerWaalsContact C-N 3.28Å; I380-N382 PolarHBondContact O-N 3.34Å; I380-S383 PolarHBondContact O-N 2.97Å; I380-S383 VanDerWaalsContact O-N 3.12Å; I380-S383 PolarHBondContact O-OG 3.29Å; I380-D384 PolarHBondContact O-N 2.94Å
381E40.5Very low44.2Very low135 Ų135106 Ų10663%0.63154%0.537SS*.Hα-helixtrans-58.2-34.8-180-67.8-178.5135.300113.9S377 D384S377-E381 PolarHBondContact O-N 2.89Å; S377-E381 VanDerWaalsContact O-N 3.08Å; E381-D384 WeakPolarHBondContact O-CB 3.29Å
382N43.3Very low45.9Very low41 Ų41103.7 Ų103.722%0.21952%0.519CS..Hα-helixtrans-76.8-29.7178.8-83-64.4000113.2K315 K378 I380 D384K315-N382 PolarHBondContact NZ-OD1 3.4Å; K378-N382 PolarHBondContact O-ND2 3.44Å; I380-N382 VanDerWaalsContact C-N 3.28Å; I380-N382 PolarHBondContact O-N 3.34Å; N382-D384 PolarHBondContact O-N 3.49Å
383S43.2Very low47.7Very low70 Ų7096.6 Ų96.649%0.4948%0.481SS..Hα-helixtrans-63.8-34.6173.474.70000111.8T379 I380 Q385 T386 L387T379-S383 PolarHBondContact O-N 3.1Å; I380-S383 PolarHBondContact O-N 2.97Å; I380-S383 VanDerWaalsContact O-N 3.12Å; I380-S383 PolarHBondContact O-OG 3.29Å; S383-Q385 PolarHBondContact O-N 3.29Å; S383-T386 PolarHBondContact O-N 3.17Å; S383-L387 PolarHBondContact O-N 2.8Å; S383-L387 VanDerWaalsContact O-N 3.08Å
384D54.1Low49.4Very low68 Ų6896.3 Ų96.336%0.36448%0.475SS..Hα-helixtrans-65.6-35.9-177.5-132.745.9000112.9I380 E381 N382 K388I380-D384 PolarHBondContact O-N 2.94Å; E381-D384 WeakPolarHBondContact O-CB 3.29Å; N382-D384 PolarHBondContact O-N 3.49Å; D384-K388 WeakPolarHBondContact O-CB 3.41Å; D384-K388 WeakPolarHBondContact O-CD 3.38Å; D384-K388 VanDerWaalsContact O-CG 3.26Å; D384-K388 WeakPolarHBondContact O-CG 3.41Å; D384-K388 PolarHBondContact O-N 3.3Å; D384-K388 IonicContact OD2-NZ 3.62Å; D384-K388 PolarHBondContact OD2-NZ 3.41Å
385Q54.2Low51.3Low96 Ų9692.2 Ų92.245%0.44946%0.462SS..Hα-helixtrans-65.7-46175.8-72.4-166.8-25.800111.6S383 L387 K388 Y389S383-Q385 PolarHBondContact O-N 3.29Å; Q385-L387 VanDerWaalsContact C-N 3.33Å; Q385-L387 PolarHBondContact O-N 3.47Å; Q385-K388 PolarHBondContact O-N 3.4Å; Q385-Y389 WeakPolarHBondContact O-CD2 3.39Å; Q385-Y389 PolarHBondContact O-N 2.98Å
386T53.5Low52.9Low65 Ų6584.4 Ų84.440%0.39943%0.428SS..Hα-helixtrans-63.2-40.7178-56.40000111.2H312 S383 Y389 Q390H312-T386 PolarHBondContact CD2-OG1 3.4Å; S383-T386 PolarHBondContact O-N 3.17Å; T386-Y389 PolarHBondContact O-N 3.4Å; T386-Q390 WeakPolarHBondContact O-CB 3.4Å; T386-Q390 PolarHBondContact O-N 3.45Å
387L62.8Low54.7Low89 Ų8979.7 Ų79.747%0.46641%0.407SS..Hα-helixtrans-63.3-42175.1-170.466.7000112.1S383 Q385 Q390 Q391S383-L387 PolarHBondContact O-N 2.8Å; S383-L387 VanDerWaalsContact O-N 3.08Å; Q385-L387 VanDerWaalsContact C-N 3.33Å; Q385-L387 PolarHBondContact O-N 3.47Å; L387-Q390 PolarHBondContact O-N 2.96Å; L387-Q391 WeakPolarHBondContact O-CB 3.27Å; L387-Q391 VanDerWaalsContact O-CG 3.29Å; L387-Q391 WeakPolarHBondContact O-CG 3.47Å; L387-Q391 PolarHBondContact O-N 2.9Å
388K64.2Low56.3Low118 Ų11881.6 Ų81.651%0.51341%0.408SS..Hα-helixtrans-62.8-42.8176.3-78.2161.7176.4153.40112.7D384 Q385 Q391 L392D384-K388 WeakPolarHBondContact O-CB 3.41Å; D384-K388 WeakPolarHBondContact O-CD 3.38Å; D384-K388 VanDerWaalsContact O-CG 3.26Å; D384-K388 WeakPolarHBondContact O-CG 3.41Å; D384-K388 PolarHBondContact O-N 3.3Å; D384-K388 IonicContact OD2-NZ 3.62Å; D384-K388 PolarHBondContact OD2-NZ 3.41Å; Q385-K388 PolarHBondContact O-N 3.4Å; K388-Q391 PolarHBondContact O-N 3.47Å; K388-L392 VanDerWaalsContact O-CB 3.31Å; K388-L392 WeakPolarHBondContact O-CB 3.3Å; K388-L392 PolarHBondContact O-N 3.18Å
389Y56.7Low57.8Low110 Ų11080.9 Ų80.943%0.43140%0.403SS..Hα-helixtrans-65-39.4174.1-73.2-64.5000112.4Q385 T386 L392 F393 P640Q385-Y389 WeakPolarHBondContact O-CD2 3.39Å; Q385-Y389 PolarHBondContact O-N 2.98Å; T386-Y389 PolarHBondContact O-N 3.4Å; Y389-L392 PolarHBondContact O-N 3.02Å; Y389-F393 WeakPolarHBondContact O-CB 3.12Å; Y389-F393 PolarHBondContact O-N 3.45Å; Y389-P640 HydrophobicContact CE1-CG 3.93Å; Y389-P640 WeakPolarHBondContact OH-CG 3.15Å
390Q62.3Low59.3Low43 Ų4376.3 Ų76.320%0.20137%0.374CS..Hα-helixtrans-63.2-47.8176.1-177.457.858.800111.6T386 L387 F393 D394T386-Q390 WeakPolarHBondContact O-CB 3.4Å; T386-Q390 PolarHBondContact O-N 3.45Å; L387-Q390 PolarHBondContact O-N 2.96Å; Q390-F393 PolarHBondContact O-N 2.92Å; Q390-D394 VanDerWaalsContact NE2-CG 3.26Å; Q390-D394 PolarHBondContact NE2-OD1 2.99Å; Q390-D394 PolarHBondContact NE2-OD2 3.32Å; Q390-D394 WeakPolarHBondContact O-CB 3.49Å; Q390-D394 PolarHBondContact O-N 2.9Å
391Q67.2Low60.8Low110 Ų11072.1 Ų72.151%0.51435%0.353SS..Hα-helixtrans-62-43176.9-72.7171.5-7.700112.3L387 K388 F393 D394 L395L387-Q391 WeakPolarHBondContact O-CB 3.27Å; L387-Q391 VanDerWaalsContact O-CG 3.29Å; L387-Q391 WeakPolarHBondContact O-CG 3.47Å; L387-Q391 PolarHBondContact O-N 2.9Å; K388-Q391 PolarHBondContact O-N 3.47Å; Q391-F393 VanDerWaalsContact C-N 3.35Å; Q391-F393 PolarHBondContact O-N 3.28Å; Q391-D394 PolarHBondContact O-N 3.07Å; Q391-L395 WeakPolarHBondContact O-CB 3.35Å; Q391-L395 PolarHBondContact O-N 3.16Å
392L66Low61.8Low80 Ų8070 Ų7042%0.41935%0.346SS..Hα-helixtrans-62.4-42.1176.6-173.472.3000111.6K388 Y389 K396K388-L392 VanDerWaalsContact O-CB 3.31Å; K388-L392 WeakPolarHBondContact O-CB 3.3Å; K388-L392 PolarHBondContact O-N 3.18Å; Y389-L392 PolarHBondContact O-N 3.02Å; L392-K396 HydrophobicContact CG-CD 4.47Å; L392-K396 WeakPolarHBondContact O-CB 3.38Å; L392-K396 WeakPolarHBondContact O-CG 3.22Å; L392-K396 PolarHBondContact O-N 2.92Å; L392-K396 VanDerWaalsContact O-N 3.11Å
393F65.8Low62.7Low8 Ų870.3 Ų70.34%0.03535%0.346CS..Hα-helixtrans-65.4-48.5175.8-178.6-88.6000111.6Y301 F304 Y389 Q390 Q391 L395 K396 L397 W631 M635Y301-F393 HydrophobicContact CD2-CD1 4.28Å; Y301-F393 AromaticContact CD2-CE1 3.46Å; Y301-F393 HydrophobicContact CD2-CE1 3.46Å; Y301-F393 VanDerWaalsContact CD2-CE1 3.46Å; Y301-F393 HydrophobicContact CD2-CE2 4.48Å; Y301-F393 AromaticContact CD2-CZ 3.6Å; Y301-F393 HydrophobicContact CD2-CZ 3.6Å; Y301-F393 HydrophobicContact CE2-CD1 4.3Å; Y301-F393 AromaticContact CE2-CE1 3.85Å; Y301-F393 HydrophobicContact CE2-CE1 3.85Å; Y301-F393 HydrophobicContact CE2-CZ 4.4Å; Y301-F393 HydrophobicContact CG-CZ 4.47Å; F304-F393 AromaticContact CD1-CD2 3.84Å; F304-F393 HydrophobicContact CD1-CD2 3.84Å; F304-F393 HydrophobicContact CD1-CE2 4.13Å; F304-F393 HydrophobicContact CD1-CG 4.37Å; F304-F393 HydrophobicContact CE1-CB 4.05Å; F304-F393 AromaticContact CE1-CD2 3.66Å; F304-F393 HydrophobicContact CE1-CD2 3.66Å; F304-F393 HydrophobicContact CE1-CE2 4.4Å; F304-F393 AromaticContact CE1-CG 3.93Å; F304-F393 HydrophobicContact CE1-CG 3.93Å; F304-F393 HydrophobicContact CG-CD2 4.42Å; F304-F393 HydrophobicContact CG-CE2 4.5Å; F304-F393 HydrophobicContact CZ-CB 4.38Å; F304-F393 HydrophobicContact CZ-CD2 4.09Å; Y389-F393 WeakPolarHBondContact O-CB 3.12Å; Y389-F393 PolarHBondContact O-N 3.45Å; Q390-F393 PolarHBondContact O-N 2.92Å; Q391-F393 VanDerWaalsContact C-N 3.35Å; Q391-F393 PolarHBondContact O-N 3.28Å; F393-L395 VanDerWaalsContact C-N 3.32Å; F393-L395 PolarHBondContact O-N 3.49Å; F393-K396 PolarHBondContact O-N 2.87Å; F393-L397 HydrophobicContact CE1-CB 4.16Å; F393-L397 HydrophobicContact CE1-CD2 3.79Å; F393-L397 HydrophobicContact CZ-CD2 4.36Å; F393-L397 WeakPolarHBondContact O-CB 3.5Å; F393-L397 PolarHBondContact O-N 3.09Å; F393-W631 HydrophobicContact CE2-CH2 4.47Å; F393-M635 HydrophobicContact CD2-CE 3.63Å; F393-M635 HydrophobicContact CE2-CE 3.98Å
394D65.7Low63.5Low53 Ų5368.7 Ų68.728%0.28333%0.33SS..Hα-helixtrans-61-40.1180-78.5-37000112M1 Q390 Q391 L397 Q398M1-D394 WeakPolarHBondContact CE-OD1 3.45Å; Q390-D394 VanDerWaalsContact NE2-CG 3.26Å; Q390-D394 PolarHBondContact NE2-OD1 2.99Å; Q390-D394 PolarHBondContact NE2-OD2 3.32Å; Q390-D394 WeakPolarHBondContact O-CB 3.49Å; Q390-D394 PolarHBondContact O-N 2.9Å; Q391-D394 PolarHBondContact O-N 3.07Å; D394-L397 PolarHBondContact O-N 3.42Å; D394-Q398 VanDerWaalsContact O-CB 3.27Å; D394-Q398 WeakPolarHBondContact O-CB 3.24Å; D394-Q398 PolarHBondContact O-N 3.31Å
395L70.2Confident63.8Low121 Ų12168.3 Ų68.363%0.63433%0.327SS*.Hα-helixtrans-64-46.6175.4-175.565.8000111.7Q391 F393 Q398 Y399Q391-L395 WeakPolarHBondContact O-CB 3.35Å; Q391-L395 PolarHBondContact O-N 3.16Å; F393-L395 VanDerWaalsContact C-N 3.32Å; F393-L395 PolarHBondContact O-N 3.49Å; L395-Q398 PolarHBondContact O-N 2.98Å; L395-Y399 WeakPolarHBondContact O-CB 3.3Å; L395-Y399 PolarHBondContact O-N 2.9Å
396K68.5Low63.9Low27 Ų2766.7 Ų66.712%0.11734%0.337CS..Hα-helixtrans-69.5-31178.5-71.6-176.6-179.7-166.90113L392 F393 F400 W631 Y634 M635 E638L392-K396 HydrophobicContact CG-CD 4.47Å; L392-K396 WeakPolarHBondContact O-CB 3.38Å; L392-K396 WeakPolarHBondContact O-CG 3.22Å; L392-K396 PolarHBondContact O-N 2.92Å; L392-K396 VanDerWaalsContact O-N 3.11Å; F393-K396 PolarHBondContact O-N 2.87Å; K396-F400 PolarHBondContact O-N 3.46Å; K396-F400 VanDerWaalsContact O-N 3.09Å; K396-W631 PolarHBondContact O-NE1 3.18Å; K396-Y634 HydrophobicContact CD-CE1 3.98Å; K396-Y634 WeakPolarHBondContact CE-OH 3.37Å; K396-Y634 PolarHBondContact NZ-OH 3.28Å; K396-M635 HydrophobicContact CB-SD 4.09Å; K396-M635 HydrophobicContact CD-SD 3.69Å; K396-E638 VanDerWaalsContact NZ-CD 3.3Å; K396-E638 IonicContact NZ-OE2 3.89Å; K396-E638 PolarHBondContact NZ-OE2 2.92Å
397L69.8Low63.8Low27 Ų2767.5 Ų67.514%0.14134%0.337CS..Hα-helixtrans-72.8-42.4173-179.963.1000111.3L297 F393 D394 Y399 F400 L401 W631L297-L397 HydrophobicContact CD2-CD1 4.42Å; F393-L397 HydrophobicContact CE1-CB 4.16Å; F393-L397 HydrophobicContact CE1-CD2 3.79Å; F393-L397 HydrophobicContact CZ-CD2 4.36Å; F393-L397 WeakPolarHBondContact O-CB 3.5Å; F393-L397 PolarHBondContact O-N 3.09Å; D394-L397 PolarHBondContact O-N 3.42Å; L397-Y399 VanDerWaalsContact C-N 3.33Å; L397-Y399 PolarHBondContact O-N 3.09Å; L397-F400 HydrophobicContact CD1-CD1 4.36Å; L397-F400 PolarHBondContact O-N 3.47Å; L397-L401 HydrophobicContact CD1-CD1 4.39Å; L397-L401 HydrophobicContact CD1-CG 4.3Å; L397-L401 HydrophobicContact CG-CD1 4.11Å; L397-L401 HydrophobicContact CG-CG 4.45Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 2.98Å; L397-W631 HydrophobicContact CD1-CZ2 4.37Å
398Q66.8Low63.3Low107 Ų10766.7 Ų66.750%0.533%0.333SS..Hα-helixtrans-63.3-39.6175.3-177.7169.8-3700111.4D394 L395 L401 N402D394-Q398 VanDerWaalsContact O-CB 3.27Å; D394-Q398 WeakPolarHBondContact O-CB 3.24Å; D394-Q398 PolarHBondContact O-N 3.31Å; L395-Q398 PolarHBondContact O-N 2.98Å; Q398-L401 PolarHBondContact O-N 2.96Å; Q398-N402 WeakPolarHBondContact O-CB 3.45Å; Q398-N402 PolarHBondContact O-N 3.32Å; Q398-N402 PolarHBondContact O-OD1 3.45Å
399Y65.8Low62.2Low119 Ų11965.3 Ų65.347%0.46733%0.325SS..Hα-helixtrans-60-48.7171.7-177.4-95.1000112L395 L397 L401 N402 Q403L395-Y399 WeakPolarHBondContact O-CB 3.3Å; L395-Y399 PolarHBondContact O-N 2.9Å; L397-Y399 VanDerWaalsContact C-N 3.33Å; L397-Y399 PolarHBondContact O-N 3.09Å; Y399-L401 PolarHBondContact O-N 3.34Å; Y399-N402 PolarHBondContact O-N 2.93Å; Y399-Q403 HydrophobicContact CD1-CG 4.34Å; Y399-Q403 HydrophobicContact CE1-CG 3.9Å; Y399-Q403 HydrophobicContact CE2-CG 4.4Å; Y399-Q403 WeakPolarHBondContact O-CG 3.33Å; Y399-Q403 PolarHBondContact O-N 3.04Å; Y399-Q403 PolarHBondContact OH-NE2 3.36Å
400F69.2Low61.2Low5 Ų567.6 Ų67.62%0.02234%0.34CS..Hα-helixtrans-58.5-47.1175.8169.5-94.8000112.4L297 K396 L397 N402 Q403 F404 Y628 W631L297-F400 HydrophobicContact CD1-CE1 3.95Å; L297-F400 HydrophobicContact CD2-CE1 4.25Å; K396-F400 PolarHBondContact O-N 3.46Å; K396-F400 VanDerWaalsContact O-N 3.09Å; L397-F400 HydrophobicContact CD1-CD1 4.36Å; L397-F400 PolarHBondContact O-N 3.47Å; F400-N402 PolarHBondContact O-N 3.15Å; F400-Q403 PolarHBondContact O-N 2.99Å; F400-F404 HydrophobicContact CE1-CB 4.37Å; F400-F404 HydrophobicContact CE1-CD2 4.5Å; F400-F404 HydrophobicContact CE2-CD2 4.38Å; F400-F404 HydrophobicContact CZ-CB 4.3Å; F400-F404 AromaticContact CZ-CD2 3.84Å; F400-F404 HydrophobicContact CZ-CD2 3.84Å; F400-F404 HydrophobicContact CZ-CG 4.26Å; F400-F404 VanDerWaalsContact O-CB 3.25Å; F400-F404 WeakPolarHBondContact O-CB 3.28Å; F400-F404 PolarHBondContact O-N 3.22Å; F400-Y628 HydrophobicContact CE2-CD2 4.05Å; F400-Y628 AromaticContact CZ-CD2 3.8Å; F400-Y628 HydrophobicContact CZ-CD2 3.8Å; F400-Y628 HydrophobicContact CZ-CE2 4.49Å; F400-W631 HydrophobicContact CB-CG 4.3Å; F400-W631 HydrophobicContact CD2-CB 3.87Å; F400-W631 AromaticContact CD2-CD1 3.89Å; F400-W631 HydrophobicContact CD2-CD2 4.16Å; F400-W631 AromaticContact CD2-CG 3.69Å; F400-W631 HydrophobicContact CD2-CG 3.69Å; F400-W631 HydrophobicContact CE2-CB 4.26Å; F400-W631 HydrophobicContact CE2-CG 4.39Å; F400-W631 HydrophobicContact CG-CD2 4.29Å; F400-W631 HydrophobicContact CG-CG 4.15Å
401L66.3Low59.8Low22 Ų2271.4 Ų71.412%0.11535%0.352CS..Hα-helixtrans-63.2-42179.5-72.6172.5000111.7Y8 L397 Q398 Y399 F404 I405Y8-L401 HydrophobicContact CE2-CD1 4.36Å; L397-L401 HydrophobicContact CD1-CD1 4.39Å; L397-L401 HydrophobicContact CD1-CG 4.3Å; L397-L401 HydrophobicContact CG-CD1 4.11Å; L397-L401 HydrophobicContact CG-CG 4.45Å; L397-L401 WeakPolarHBondContact O-CB 3.4Å; L397-L401 WeakPolarHBondContact O-CG 3.46Å; L397-L401 PolarHBondContact O-N 2.98Å; Q398-L401 PolarHBondContact O-N 2.96Å; Y399-L401 PolarHBondContact O-N 3.34Å; L401-F404 PolarHBondContact O-N 2.92Å; L401-I405 VanDerWaalsContact O-CB 3.3Å; L401-I405 WeakPolarHBondContact O-CB 3.36Å; L401-I405 WeakPolarHBondContact O-CD1 3.45Å; L401-I405 WeakPolarHBondContact O-CG1 3.27Å; L401-I405 PolarHBondContact O-N 3.46Å
402N63.5Low58.1Low90 Ų9073.4 Ų73.448%0.48136%0.359SS..Hα-helixtrans-61.5-45.9176.8-74.1-3000111.8Q398 Y399 F400 I405 G406Q398-N402 WeakPolarHBondContact O-CB 3.45Å; Q398-N402 PolarHBondContact O-N 3.32Å; Q398-N402 PolarHBondContact O-OD1 3.45Å; Y399-N402 PolarHBondContact O-N 2.93Å; F400-N402 PolarHBondContact O-N 3.15Å; N402-I405 PolarHBondContact O-N 3.22Å; N402-G406 PolarHBondContact O-N 3.28Å
403Q62.2Low56.4Low48 Ų4874.2 Ų74.222%0.22437%0.372CS..Hα-helixtrans-64.8-45.6176.2-67.1-69.61200111.5Y399 F400 I405 G406 M407 Y627Y399-Q403 HydrophobicContact CD1-CG 4.34Å; Y399-Q403 HydrophobicContact CE1-CG 3.9Å; Y399-Q403 HydrophobicContact CE2-CG 4.4Å; Y399-Q403 WeakPolarHBondContact O-CG 3.33Å; Y399-Q403 PolarHBondContact O-N 3.04Å; Y399-Q403 PolarHBondContact OH-NE2 3.36Å; F400-Q403 PolarHBondContact O-N 2.99Å; Q403-I405 VanDerWaalsContact C-N 3.32Å; Q403-I405 PolarHBondContact O-N 3.41Å; Q403-G406 PolarHBondContact O-N 3.14Å; Q403-M407 WeakPolarHBondContact O-CG 3.46Å; Q403-M407 PolarHBondContact O-N 3.32Å; Q403-Y627 HydrophobicContact CB-CE1 4.31Å
404F59.6Low54.7Low36 Ų3679.8 Ų79.816%0.15841%0.406CS..Hα-helixtrans-62.3-37.9178.7-170-88.5000112.2F400 L401 N408 A624F400-F404 HydrophobicContact CE1-CB 4.37Å; F400-F404 HydrophobicContact CE1-CD2 4.5Å; F400-F404 HydrophobicContact CE2-CD2 4.38Å; F400-F404 HydrophobicContact CZ-CB 4.3Å; F400-F404 AromaticContact CZ-CD2 3.84Å; F400-F404 HydrophobicContact CZ-CD2 3.84Å; F400-F404 HydrophobicContact CZ-CG 4.26Å; F400-F404 VanDerWaalsContact O-CB 3.25Å; F400-F404 WeakPolarHBondContact O-CB 3.28Å; F400-F404 PolarHBondContact O-N 3.22Å; L401-F404 PolarHBondContact O-N 2.92Å; F404-N408 WeakPolarHBondContact O-CB 3.44Å; F404-N408 PolarHBondContact O-N 3.23Å; F404-N408 PolarHBondContact O-ND2 2.89Å; F404-A624 HydrophobicContact CE2-CB 4.08Å
405I59.4Low53Low60 Ų6084.5 Ų84.531%0.30843%0.426SS..Hα-helixtrans-67-48.5173.3-71.9165.7000110.1Y8 L401 N402 Q403 M407 N408 Y409Y8-I405 HydrophobicContact CE1-CD1 4.29Å; L401-I405 VanDerWaalsContact O-CB 3.3Å; L401-I405 WeakPolarHBondContact O-CB 3.36Å; L401-I405 WeakPolarHBondContact O-CD1 3.45Å; L401-I405 WeakPolarHBondContact O-CG1 3.27Å; L401-I405 PolarHBondContact O-N 3.46Å; N402-I405 PolarHBondContact O-N 3.22Å; Q403-I405 VanDerWaalsContact C-N 3.32Å; Q403-I405 PolarHBondContact O-N 3.41Å; I405-M407 PolarHBondContact O-N 3.34Å; I405-M407 VanDerWaalsContact O-N 3.16Å; I405-N408 PolarHBondContact O-N 3.1Å; I405-Y409 HydrophobicContact CB-CD2 4.28Å; I405-Y409 HydrophobicContact CB-CE2 4.45Å; I405-Y409 HydrophobicContact CG1-CE2 4.21Å; I405-Y409 HydrophobicContact CG2-CD2 3.76Å; I405-Y409 HydrophobicContact CG2-CE2 4.13Å; I405-Y409 WeakPolarHBondContact O-CD2 3.5Å; I405-Y409 PolarHBondContact O-N 3.5Å; I405-Y409 VanDerWaalsContact O-N 3.12Å
406G56.5Low51.1Low62 Ų6287.8 Ų87.864%0.63944%0.438SS*.Hα-helixtrans-55.2-34178.200000113.9N402 Q403N402-G406 PolarHBondContact O-N 3.28Å; Q403-G406 PolarHBondContact O-N 3.14Å
407M52.6Low49.1Very low82 Ų8292 Ų9240%0.40447%0.471SS..Hα-helixtrans-84.1-18.8178.3-62.4-171.985.100115Q403 I405 T623 Y627Q403-M407 WeakPolarHBondContact O-CG 3.46Å; Q403-M407 PolarHBondContact O-N 3.32Å; I405-M407 PolarHBondContact O-N 3.34Å; I405-M407 VanDerWaalsContact O-N 3.16Å; M407-T623 HydrophobicContact CE-CG2 3.46Å; M407-T623 VanDerWaalsContact CE-CG2 3.46Å; M407-Y627 HydrophobicContact CE-CD2 4.47Å; M407-Y627 HydrophobicContact SD-CD2 3.75Å; M407-Y627 HydrophobicContact SD-CE2 3.92Å; M407-Y627 HydrophobicContact SD-CG 4.45Å
408N51Low47.1Very low73 Ų7399 Ų9939%0.3951%0.505SS..Hα-helixtrans-107.6-12.4-174.1-76.8-83.5000114.7F404 I405F404-N408 WeakPolarHBondContact O-CB 3.44Å; F404-N408 PolarHBondContact O-N 3.23Å; F404-N408 PolarHBondContact O-ND2 2.89Å; I405-N408 PolarHBondContact O-N 3.1Å
409Y40.4Very low45.2Very low89 Ų89100.4 Ų100.435%0.34952%0.516SS..  trans-11585.1-175.8-73.1-93.6000113.4L12 E15 I405 W411L12-Y409 WeakPolarHBondContact CD2-OH 3.34Å; E15-Y409 WeakPolarHBondContact OE2-CE1 3.45Å; I405-Y409 HydrophobicContact CB-CD2 4.28Å; I405-Y409 HydrophobicContact CB-CE2 4.45Å; I405-Y409 HydrophobicContact CG1-CE2 4.21Å; I405-Y409 HydrophobicContact CG2-CD2 3.76Å; I405-Y409 HydrophobicContact CG2-CE2 4.13Å; I405-Y409 WeakPolarHBondContact O-CD2 3.5Å; I405-Y409 PolarHBondContact O-N 3.5Å; I405-Y409 VanDerWaalsContact O-N 3.12Å; Y409-W411 AromaticContact CD1-NE1 3.71Å
410H35.6Very low43.4Very low158 Ų15898.4 Ų98.473%0.73152%0.519SS*.  trans-131.224.9168.2-147.7-50.6000113.9
411W33.5Very low41.5Very low122 Ų122102.5 Ų102.546%0.46255%0.548SS..  trans-82.3-10-177.562-94.5000114.8E15 Y409 S413E15-W411 HydrophobicContact CB-CZ2 4.09Å; E15-W411 HydrophobicContact CG-CZ2 4.33Å; E15-W411 WeakPolarHBondContact OE2-CZ2 3.35Å; Y409-W411 AromaticContact CD1-NE1 3.71Å; W411-S413 VanDerWaalsContact C-N 3.28Å; W411-S413 PolarHBondContact O-N 3.09Å
412K32.1Very low39.8Very low152 Ų152109.2 Ų109.266%0.66158%0.579SS**THydrogen-bonded Turntrans-81.663.8174.1-73.3173.2-179149.70112.3E15E15-K412 IonicContact OE1-NZ 4Å; E15-K412 PolarHBondContact OE1-NZ 3.43Å
413S30Very low38.3Very low98 Ų98109.4 Ų109.469%0.68559%0.585SS**THydrogen-bonded Turntrans-157.7-14.4165.2-157.60000115W411 H415W411-S413 VanDerWaalsContact C-N 3.28Å; W411-S413 PolarHBondContact O-N 3.09Å; S413-H415 PolarHBondContact O-N 3.04Å
414V30.4Very low36.6Very low124 Ų124113 Ų11375%0.75261%0.611SS**  trans-102.866.5-177.2-167.10000111.4
415H30.3Very low35.1Very low153 Ų153118.4 Ų118.471%0.70864%0.641SS**SBendtrans-140.4124.6156.3-98.5-83.1000108.3S413 S417S413-H415 PolarHBondContact O-N 3.04Å; H415-S417 PolarHBondContact O-N 3.09Å
416H29.7Very low33.4Very low190 Ų190123.6 Ų123.688%0.8867%0.669SS**  trans-66.1131.8-179.9-67.8-96.7000111.2
417S27.2Very low32.1Very low116 Ų116125.4 Ų125.481%0.81167%0.667SS**  trans-138.2126135.9-147.60000108.5H415H415-S417 PolarHBondContact O-N 3.09Å
418M27.6Very low30.9Very low172 Ų172130 Ų13085%0.84769%0.685SS**  trans-76.8151.6161.6-85-74.3171.400108.4
419D26.4Very low29.9Very low138 Ų138133.3 Ų133.374%0.73870%0.703SS**  trans78.6156.5165.3-123.7-50.8000120.2K44K44-D419 IonicContact NZ-OD1 3.5Å; K44-D419 PolarHBondContact NZ-OD1 3Å
420S29.1Very low29.3Very low77 Ų77133.6 Ų133.654%0.53872%0.718SS.*  trans66.696.9168.4-141.20000120.9K44K44-S420 WeakPolarHBondContact CE-OG 3.4Å
421S29.3Very low29.1Very low90 Ų90134.3 Ų134.363%0.62972%0.722SS**  trans-71.3166.5162.452.40000115.3
422Q29.1Very low29Very low163 Ų163134.9 Ų134.976%0.76273%0.732SS**  trans90.5150.1156.1-68.9-105.6-62.600120
423P31.9Very low29Very low95 Ų95137.1 Ų137.162%0.61774%0.742SS**  trans-140.5-165.8-146.542.3-20.4000116.2
424T26.7Very low29Very low123 Ų123138 Ų13876%0.75575%0.746SS**  trans59.6120.2155.948.40000120.7
425L28.3Very low29.1Very low150 Ų150141.8 Ų141.879%0.78575%0.752SS**  -167.5132.1110.6-106.2168.3000111.9V427L425-V427 HydrophobicContact CD2-CG2 4.31Å
426N23.9Very low29.2Very low169 Ų169140 Ų14090%0.90475%0.752SS**  trans-134.777.7173.2-89-5.5000109.5
427V29.4Very low29.3Very low99 Ų99137.1 Ų137.160%0.674%0.743SS**  trans-145.9158171.1-171.40000108.2L425L425-V427 HydrophobicContact CD2-CG2 4.31Å
428F26.4Very low29.6Very low179 Ų179137.3 Ų137.379%0.78574%0.735SS**  trans78.1134.8178.9-54.2-69.4000115.3
429D30.1Very low30Very low142 Ų142136 Ų13676%0.75973%0.726SS**  cis-148.4167.3-11.5-141.6-20.1000113.3
430S29.5Very low30.4Very low96 Ų96137.5 Ų137.567%0.67173%0.727SS**  trans-103.2144.5170.3-64.70000111.6
431Q30.6Very low30.7Very low172 Ų172139.6 Ų139.680%0.80473%0.732SS**  trans88.2111.1161-52.9-162.975.400120.4
432I32.1Very low30.9Very low134 Ų134141.8 Ų141.869%0.68773%0.732SS**  8096.8127.7-58.9170.7000119.7
433K30.8Very low31.1Very low199 Ų199141.8 Ų141.887%0.86573%0.732SS**  trans72.5145138.9-72.4-179.3176.1174.70121.3
434P30.7Very low31.2Very low118 Ų118145.3 Ų145.377%0.76674%0.74SS**  trans-111.6161.5-17142.3-35.6000116.3
435K31.8Very low31.6Very low202 Ų202147.3 Ų147.388%0.87874%0.741SS**  trans173.3148.4152-99.5170.8-179.9-175.70108.2
436V32.3Very low31.8Very low116 Ų116148.2 Ų148.270%0.70374%0.74SS**  cis-172.7135.5-21.9104.10000107.4
437N31.3Very low32.6Very low129 Ų129145.3 Ų145.369%0.6973%0.731SS**  trans62.3158.6165-60.647.4000118.3
438D33.6Very low32.7Very low121 Ų121151 Ų15165%0.64774%0.743SS**  cis-165.1152.7-22.4-105.4-32.2000113.4
439Q36.7Very low33Very low143 Ų143147.2 Ų147.267%0.66874%0.738SS**  trans70.7136.3141.1-75.7-180-15.500127.6
440F34.3Very low33Very low170 Ų170147.4 Ų147.475%0.74674%0.739SS**  trans65160.7147.4-63.3-46.9000121.8
441D35.2Very low33.1Very low122 Ų122150 Ų15065%0.65274%0.744SS**  cis-179.7170.6-41.2-125.9-27.4000108.7
442Q33.8Very low33.1Very low135 Ų135149 Ų14963%0.63175%0.745SS**  cis-163.6-174-11.9-153.1169.2103.800110.5
443H34.7Very low33Very low163 Ų163150.1 Ų150.176%0.75575%0.749SS**  trans96.8165.1154.8-59.5-45.9000122.5
444Q33.2Very low33Very low169 Ų169147.2 Ų147.279%0.7974%0.743SS**  trans-139.7174.7-155.4-53.8169.7-58.400113.7
445H34.2Very low33Very low166 Ų166147.2 Ų147.277%0.76974%0.741SS**  169.8137.5128.7-86.6-55.7000117.6
446H32.9Very low32.8Very low168 Ų168142.4 Ų142.478%0.77873%0.732SS**  trans35.5143.4151.3-71.1-69.4000128
447P41.1Very low32.7Very low108 Ų108146.1 Ų146.170%0.70174%0.742SS**  trans-124.1173.316743.5-32.4000116.4
448Y32Very low32.6Very low220 Ų220144.9 Ų144.986%0.86374%0.744SS**  trans-166.6150.7165.3-105.3-71.3000116.6
449S31.2Very low32.4Very low98 Ų98145.8 Ų145.869%0.68575%0.748SS**  trans69.9155.5151-68.30000122.9
450L30.7Very low32.1Very low146 Ų146150.2 Ų150.276%0.76476%0.758SS**  cis-173.5153.1-33.3-112.8174.9000112.2
451L31.2Very low31.7Very low150 Ų150148.9 Ų148.979%0.78577%0.768SS**  trans60.6131.7158.8-57.9174.6000123
452N30.9Very low31.5Very low153 Ų153150.6 Ų150.682%0.81878%0.778SS**  -178.6-174.587.8-154.90.8000112.8
453M30.2Very low31.5Very low157 Ų157152.1 Ų152.177%0.77378%0.782SS**  trans-126.1169.7-155.7-71.8-76.2-169.500117.9
454N30.3Very low31.2Very low137 Ų137152.2 Ų152.273%0.73378%0.781SS**  trans107.6114.6141.8-75.8-12.9000123.9
455T30.7Very low31.1Very low118 Ų118150.6 Ų150.672%0.72478%0.778SS**  67.8115.3128.362.90000124.9
456S29Very low30.9Very low101 Ų101149.7 Ų149.771%0.70678%0.777SS**  72.5121.7124.368.20000124.3
457E29.5Very low31Very low195 Ų195147.4 Ų147.491%0.91178%0.778SS**  trans76.4141.7137.9-70-165.4142.500124.1
458S28.8Very low30.6Very low103 Ų103147.7 Ų147.772%0.7278%0.777SS**  trans101.1110.8145.6-145.80000120.9
459L30.8Very low30.8Very low140 Ų140145.2 Ų145.273%0.73377%0.773SS**  trans56.8117.5142.6-65.1171.9000122.5
460R29.6Very low30.9Very low236 Ų236146 Ų14689%0.89177%0.774SS**  trans46.4107.1134.5-60.8-176.5-179.1-168.10118.5
461C26.3Very low31.1Very low141 Ų141145.8 Ų145.895%0.95377%0.773SS**  trans-84.2131.7160.2-69.30000111.7
462D31.3Very low31.1Very low159 Ų159147.1 Ų147.185%0.8577%0.773SS**  trans-99.4140.3160.2-116.8-48.8000110.6
463K32.2Very low31.3Very low166 Ų166143.6 Ų143.672%0.72276%0.76SS**  trans-20126.4166.6-99.2166.2168.5170.50117.5
464F29.5Very low31.6Very low166 Ų166143.9 Ų143.973%0.72876%0.759SS**  164.2154.8101-96.8-64.8000116.2
465N30.2Very low31.8Very low135 Ų135143.4 Ų143.472%0.72276%0.757SS**  trans78.4108.8149.4-63.7-19.3000124.2
466L30.4Very low31.8Very low146 Ų146143 Ų14376%0.76476%0.759SS**  trans-1.3154.9134.4-80.378.6000121.3
467P36.2Very low32.1Very low121 Ų121145.6 Ų145.679%0.78676%0.763SS**  -123.314294.61.919.7000113.4
468V32.3Very low32.2Very low113 Ų113145.6 Ų145.669%0.68576%0.76SS**  69.6121.870.1-176.50000112.1
469Q36Very low32.4Very low168 Ų168149.4 Ų149.479%0.78577%0.767SS**  -165132.988.7-83.2176.340.100115.8
470T33.6Very low32.4Very low114 Ų114149.1 Ų149.170%0.69977%0.771SS**  trans62154.914063.20000122.1
471L33.9Very low32.7Very low142 Ų142141 Ų14174%0.74376%0.76SS**  cis-147.1140.87.6-115.7131000110.9
472F32.2Very low33.2Very low179 Ų179145.2 Ų145.279%0.78576%0.756SS**  trans22.6157.5141-68.6-109.6000123.2
473S35.1Very low33.4Very low78 Ų78144.8 Ų144.855%0.54575%0.754SS.*  cis173.7141-24.9-95.60000110.2
474Q36.8Very low33.6Very low163 Ų163142 Ų14276%0.76276%0.763SS**  trans55.2160.3139.6-58.2-171.5-85.400121.3
475D33.3Very low34.4Very low127 Ų127144.4 Ų144.468%0.67977%0.767SS**  cis-162136.2-28.7-104-33.4000110.8
476S30.5Very low35Very low110 Ų110142.8 Ų142.877%0.76976%0.763SS**  trans64.1170.3139.2-153.30000123.1
477I35.5Very low35.4Very low155 Ų155140.3 Ų140.380%0.79576%0.758SS**  trans83.1124.2165.5-47-174.5000119.6
478K32.2Very low35.4Very low195 Ų195139.7 Ų139.785%0.84875%0.753SS**  trans-41.5153.9168.1-49.1160.8-176.7175.40115.1
479E33.4Very low35.6Very low184 Ų184139.3 Ų139.386%0.8676%0.755SS**  178.7154.895.4-170.4151.2-149.100114.3
480T30.9Very low35.5Very low133 Ų133137 Ų13782%0.81675%0.753SS**  trans-27.5135169.8-47.80000118.9
481G34.2Very low35.5Very low65 Ų65137.4 Ų137.467%0.6775%0.75SS**  trans165105.6150.400000121.3
482R37.5Very low35.5Very low230 Ų230136.6 Ų136.687%0.86875%0.746SS**  trans61.8117.7140.7-68.1179.1174.8163.7-0.7122.5
483N34.9Very low35.6Very low150 Ų150137.4 Ų137.480%0.80275%0.746SS**  67.7101.2123.6-54.3-1.1000121.6
484A37.7Very low35.7Very low109 Ų109142.9 Ų142.990%0.90176%0.756SS**  -153.2148.5128.500000111.4
485R45.4Very low35.6Very low216 Ų216139.6 Ų139.682%0.81575%0.751SS**  trans-115.5178.6176.3-134.8-169.1151.9-169.5-6.2107.1
486P42.6Very low35.6Very low100 Ų100139.9 Ų139.965%0.64975%0.752SS**  cis-127.5-160.7-9.235.7-12.3000111.2
487S38.9Very low36Very low94 Ų94141.3 Ų141.366%0.65775%0.751SS**  cis-158.9131.58.1-50000107.5
488T37.3Very low36.2Very low109 Ų109141.9 Ų141.967%0.66975%0.751SS**  58.1140.782.965.40000115.9
489S36Very low36.6Very low104 Ų104140.4 Ų140.473%0.72775%0.747SS**  cis-169.1167.9-10.1450000112.5
490T33.3Very low36.7Very low121 Ų121135 Ų13574%0.74273%0.729SS**  trans-40.3159.816517.60000119.4
491N34Very low37.1Very low121 Ų121136.5 Ų136.565%0.64773%0.725SS**  trans93.4122.2138.9-83.342000122.9
492D33.7Very low37.3Very low125 Ų125140.4 Ų140.467%0.66873%0.73SS**  98.6131.6121.4-70.3-10.8000124.2
493Y34.3Very low37.3Very low197 Ų197136.9 Ų136.977%0.77372%0.724SS**  trans83.4103.5148.2-90.4-121.2000122.7
494Y36.4Very low37.4Very low193 Ų193134.5 Ų134.576%0.75772%0.719SS**  71.5148.4118.6-101.9-83.9000123.6
495S35.6Very low37.3Very low93 Ų93136 Ų13665%0.6571%0.711SS**  trans80.992.5157.4-58.60000119.5
496N32.6Very low36.4Very low133 Ų133131.1 Ų131.171%0.71171%0.709SS**  60.5162.3109.6-63.919.7000122.6
497D38.8Very low36.3Very low141 Ų141131.5 Ų131.575%0.75471%0.711SS**  trans69.7144.1161.2-45.3-33.4000117.5
498E40.8Very low36Very low166 Ų166133.1 Ų133.178%0.77671%0.712SS**  cis-161.3174.8-40.3-142.1176.8-161.600107.5
499E39.4Very low35.7Very low165 Ų165133.9 Ų133.977%0.77171%0.712SS**  trans64.9160160.6-76-162.5165.900119.4
500S37.2Very low35.6Very low70 Ų70138.4 Ų138.449%0.4972%0.719SS.*  cis-170.2170.8-19.449.70000112.2
501F38.5Very low35.2Very low165 Ų165138.7 Ų138.772%0.72472%0.721SS**  trans67.6114.5162-56-55.6000119.1
502D39.2Very low35.2Very low147 Ų147138.2 Ų138.279%0.78672%0.724SS**  87.9147.682.8-73.3-4.8000112.4
503E37.6Very low34.9Very low156 Ų156140.6 Ų140.673%0.72974%0.736SS**  cis-133.1-1629.5-143.5-143.211300108.1L505E503-L505 WeakPolarHBondContact OE1-CD1 3.29Å
504S37.3Very low34.7Very low99 Ų99135 Ų13569%0.69274%0.738SS**  cis-154.2-176.812.763.90000114.3
505L34.9Very low34.1Very low140 Ų140137.1 Ų137.173%0.73375%0.747SS**  trans-82.4134.4-172.6-7183.7000117.4E503E503-L505 WeakPolarHBondContact OE1-CD1 3.29Å
506C27.1Very low33.8Very low115 Ų115138.5 Ų138.578%0.77776%0.756SS**  28.2163.4103-64.60000121.9
507P39.2Very low33.6Very low107 Ų107141.8 Ų141.870%0.69576%0.764SS**  cis-146.8-162.7-34.441.7-22000115
508N33.7Very low33Very low128 Ų128141.7 Ų141.768%0.68477%0.769SS**  trans96.4126.7144.8-87.141.4000125
509D30.9Very low32.4Very low125 Ų125142.3 Ų142.367%0.66877%0.774SS**  trans87.1143.8136.6-58.3-28.4000125.7
510F32.5Very low31.7Very low199 Ų199142 Ų14287%0.87378%0.777SS**  trans73.7101.6166.3-67.6-73.5000123.1
511T26.1Very low31.3Very low128 Ų128146 Ų14679%0.78579%0.793SS**  trans-71.6169.3141.631.50000111.1
512P33.7Very low31Very low110 Ų110145 Ų14571%0.71480%0.795SS**  cis-148.2179.332.344.3-23.6000119.7
513L27.5Very low30.3Very low175 Ų175147.5 Ų147.592%0.91680%0.799SS**  trans49114157-93.877.2000120.4
514G29.2Very low29.8Very low79 Ų79145.6 Ų145.681%0.81480%0.8SS**  trans-166.9108.616000000112.6
515Y25Very low29.4Very low239 Ų239146.2 Ų146.294%0.93780%0.8SS**  trans-74.6126.7178.6-101.6-104.1000111.9
516S29.6Very low28.9Very low121 Ų121146.6 Ų146.685%0.84680%0.801SS**  trans-162.1139.3148.7-87.90000112.8
517K27.5Very low28.9Very low203 Ų203147.3 Ų147.388%0.88380%0.796SS**  trans-63.7129.4176.1-78172.1169.1174.10111.4
518T25.7Very low28.2Very low138 Ų138149.1 Ų149.185%0.84780%0.8SS**  179.2122.2115.329.60000111.2
519M28.4Very low27.9Very low179 Ų179151.3 Ų151.388%0.88280%0.804SS**  trans-142.6126.4154.9-84.4-157.6160.200110.3
520N25.3Very low27.6Very low158 Ų158150.7 Ų150.785%0.84581%0.809SS**  trans-72.1129.5159.3-69.4-62.1000107.5
521L28.9Very low27.5Very low156 Ų156148.8 Ų148.882%0.81781%0.806SS**  trans-122.8127.2164.1-126.780.1000110.8
522N30.6Very low27.6Very low143 Ų143150.5 Ų150.577%0.76581%0.806SS**  trans-59167.5-170.5-55.5-46.7000115.2
523K25.4Very low27.3Very low200 Ų200153.3 Ų153.387%0.8781%0.809SS**  trans-48.9145.9160.6-70.5177.7174.21780111.3
524P27.3Very low27.5Very low116 Ų116152.8 Ų152.875%0.75381%0.806SS**  -114.8132.2118.5-5.425.1000109.9
525T28.8Very low27.4Very low112 Ų112156.8 Ų156.869%0.68780%0.8SS**  91.5114.562.3-63.30000111.1L527T525-L527 HydrophobicContact CG2-CD2 4.49Å; T525-L527 HydrophobicContact CG2-CG 4.39Å
526I24.6Very low27.8Very low148 Ų148151.3 Ų151.376%0.75979%0.792SS**  trans-72.8135.1171.5-60.7166000108.1
527L26.8Very low27.7Very low130 Ų130151 Ų15168%0.68178%0.781SS**  trans-131.7103.2166.3-71.5175.7000109.6T525 F529T525-L527 HydrophobicContact CG2-CD2 4.49Å; T525-L527 HydrophobicContact CG2-CG 4.39Å; L527-F529 HydrophobicContact CB-CD2 4.39Å; L527-F529 HydrophobicContact CB-CE2 4.25Å; L527-F529 HydrophobicContact CD1-CE2 4.43Å; L527-F529 HydrophobicContact CD2-CE2 4.35Å
528N24.6Very low28Very low144 Ų144147.5 Ų147.577%0.7778%0.782SS**  trans-76.1140.9158.9-68.7-11000108.1
529F27.1Very low28.4Very low174 Ų174149.6 Ų149.676%0.76378%0.782SS**  trans-134.7108.1160.9-86.1-78.6000109.8L527L527-F529 HydrophobicContact CB-CD2 4.39Å; L527-F529 HydrophobicContact CB-CE2 4.25Å; L527-F529 HydrophobicContact CD1-CE2 4.43Å; L527-F529 HydrophobicContact CD2-CE2 4.35Å
530S24.6Very low28.4Very low113 Ų113146.1 Ų146.179%0.7978%0.776SS**  trans-88.3139.3160-58.10000108.3
531I30.9Very low28.7Very low158 Ų158144.4 Ų144.481%0.8178%0.776SS**  trans-129.8100.5164.1-60.2-178.9000106.8
532E27.8Very low28.6Very low165 Ų165143.6 Ų143.677%0.77178%0.778SS**  trans-87.7166.2157.8-67.3-166.8130.400109.6
533Q27.7Very low28.7Very low168 Ų168145.7 Ų145.779%0.78579%0.785SS**  trans66.2111.2167.1-52.4178.825.500116.1
534I30.8Very low29Very low164 Ų164143.8 Ų143.884%0.84178%0.779SS**  -150.7144.798.6-94.5151.4000108
535K28.3Very low29.1Very low163 Ų163146.4 Ų146.471%0.70978%0.781SS**  trans-128.4123178.5-177.5-156.8174.9-139.30108.3D537K535-D537 WeakPolarHBondContact CE-OD1 3.43Å; K535-D537 IonicContact NZ-OD1 3.9Å; K535-D537 PolarHBondContact NZ-OD1 3.49Å; K535-D537 IonicContact NZ-OD2 2.85Å
536T33.7Very low29.4Very low125 Ų125146.1 Ų146.177%0.76778%0.784SS**  trans-143.1130.6168.745.90000109.6
537D26.4Very low29.5Very low115 Ų115148.6 Ų148.662%0.61579%0.785SS**  trans-89.2159.9-169.7-41.5-99.5000112.3K535K535-D537 WeakPolarHBondContact CE-OD1 3.43Å; K535-D537 IonicContact NZ-OD1 3.9Å; K535-D537 PolarHBondContact NZ-OD1 3.49Å; K535-D537 IonicContact NZ-OD2 2.85Å
538S35.1Very low30.1Very low129 Ų129150.2 Ų150.290%0.90280%0.795SS**  trans-158.3128.1164.4-77.10000109.8
539E33.8Very low30.3Very low181 Ų181150.1 Ų150.185%0.84679%0.794SS**  trans-104.9154.8-165.6-61.7179.3112.900113.7
540S27.2Very low30.8Very low106 Ų106150.5 Ų150.574%0.74180%0.798SS**  trans42.4122.9147.864.20000120.9
541S31.8Very low31.3Very low123 Ų123150.1 Ų150.186%0.8679%0.791SS**  -163.5111.8120.2-85.30000111.8
542T26.6Very low31.3Very low138 Ų138150.1 Ų150.185%0.84779%0.793SS**  trans-95.8130.3163.647.10000109.5
543M34.2Very low31.7Very low188 Ų188147.3 Ų147.393%0.92680%0.798SS**  trans-129.7152.8163.2-81.1-63.6-75.400109.8
544H31Very low31.9Very low159 Ų159147.6 Ų147.674%0.73680%0.799SS**  trans-118.6160.3-163.2-142.4-117.1000110.8
545E29.6Very low32.3Very low171 Ų171149.3 Ų149.380%0.79980%0.801SS**  trans64.1162.4167.6-74.9147.3-136.900116.7
546S34.4Very low32.3Very low106 Ų106150.4 Ų150.474%0.74181%0.805SS**  cis-130.8171.37.665.70000113.8
547Y27.6Very low32.3Very low200 Ų200154.7 Ų154.778%0.78481%0.809SS**  trans-72.3161.5167.7-72.5-100.9000112
548D38.3Very low32.7Very low165 Ų165154.3 Ų154.388%0.88281%0.811SS**  -157156.8128.8-100.5-33.8000111.4
549N29.9Very low32.4Very low141 Ų141155.2 Ų155.275%0.75481%0.805SS**  trans-123.6148.3178.2-69-77.5000110.3
550E37Very low32.2Very low182 Ų182152.7 Ų152.785%0.8580%0.803SS**  trans-172.7102.4142-104.2-179.8178.900109.5
551T35.7Very low32.5Very low106 Ų106152.6 Ų152.665%0.6580%0.802SS**  72.7110.696.3600000118.6
552N30.1Very low32.5Very low158 Ų158156.6 Ų156.685%0.84581%0.807SS**  trans57.8115.1130.9-58.3-20.4000121.7
553A37Very low32.6Very low106 Ų106161 Ų16188%0.87681%0.808SS**  trans-140.6108.4144.900000110.7
554E32.2Very low32.4Very low173 Ų173164 Ų16481%0.80881%0.809SS**  trans-75.8143.4173.1-64.3-179.292.100112
555K38.4Very low32.3Very low201 Ų201164.6 Ų164.687%0.87482%0.817SS**  -172.4138.2112.7-99.7150.7-170166.70115.1
556K29.5Very low32.1Very low186 Ų186162.8 Ų162.881%0.80982%0.818SS**  trans-39.1148.3170.5-57.9167.8176176.30114.8
557Y33Very low31.8Very low215 Ų215165 Ų16584%0.84382%0.821SS**  -155.1135.5106.8-125.3-97.9000113.5
558T34.3Very low31.9Very low107 Ų107165.9 Ų165.966%0.65683%0.83SS**  trans-0.7116.9170.5580000122.1
559D29.2Very low31.6Very low147 Ų147168 Ų16879%0.78683%0.831SS**  42.8102.7107.6-175.316.7000119.1
560T30.3Very low31.6Very low129 Ų129171 Ų17179%0.79184%0.837SS**  trans-158.7150.2136.3-58.50000109.2
561S32.9Very low31.3Very low104 Ų104171.9 Ų171.973%0.72784%0.838SS**  trans93.422.2162.680.60000121.1R563S561-R563 PolarHBondContact O-N 3.32Å
562E30.8Very low31.1Very low206 Ų206175.8 Ų175.896%0.96385%0.849SS**  trans-65.776149.8-78.2-156.7130.900110.6
563R30.2Very low31Very low231 Ų231174.2 Ų174.287%0.87285%0.846SS**  trans-153.344-177.6-145.2176.9-169.6-177.94.1116.3S561S561-R563 PolarHBondContact O-N 3.32Å
564R29.4Very low30.8Very low250 Ų250176.9 Ų176.994%0.94384%0.844SS**SBendtrans-152.833172.1-113.1165.9-164.5179.14.1115.2
565L28Very low30.7Very low173 Ų173176.8 Ų176.891%0.90685%0.847SS**SBendtrans-126.220.9-176.5-14777.5000115
566T27Very low30.3Very low132 Ų132176 Ų17681%0.8185%0.847SS**  trans-141.266.3-177.158.10000113.1
567D28.3Very low30.7Very low153 Ų153176.4 Ų176.482%0.81885%0.849SS**  trans-142.5165.2164.4-92.5-53.7000109.9
568F29.5Very low30.7Very low218 Ų218171.4 Ų171.496%0.95684%0.844SS**SBendtrans70.518.9-174.2-65.2-80.5000118.4
569K31.5Very low30.9Very low210 Ų210174.5 Ų174.591%0.91385%0.851SS**  trans-126.456164.6-157.6177.8-177.5-179.50113.5
570K29.1Very low31.2Very low203 Ų203174.1 Ų174.188%0.88385%0.849SS**  trans-155.677.8175.1-159.5172.8-173.8175.20115.6
571K30.4Very low31.7Very low201 Ų201174.8 Ų174.887%0.87485%0.847SS**SBendtrans-159.3158.8146.5-113.1173.6-177.1-177.50109.6
572E32Very low32Very low188 Ų188174.6 Ų174.688%0.87985%0.845SS**  trans59.974.2-179.7-59-169.6142.900115.4
573T28.4Very low32.5Very low126 Ų126171.3 Ų171.377%0.77383%0.834SS**  trans-144.781.7155.3-44.20000108.2
574I31.8Very low33.1Very low162 Ų162167.7 Ų167.783%0.83183%0.832SS**  trans-139.967.4175.3-49.5179.8000109.3
575L30.2Very low34Very low170 Ų170162.9 Ų162.989%0.8983%0.83SS**  trans178.898.9137.6-120.868.3000108.9
576E29.9Very low34.8Very low184 Ų184161.2 Ų161.286%0.8682%0.822SS**  trans-150.3114.4162.3-174.7171.6-143.500107.9
577K38.6Very low35.8Very low195 Ų195161.6 Ų161.685%0.84882%0.819SS**  trans-164104.3168.3-135.6178.7-176.6-177.80112.3
578C32.6Very low37Very low110 Ų110162.2 Ų162.274%0.74382%0.817SS**  trans68.1153.7171-48.20000114.9
579H39.1Very low37.6Very low172 Ų172158.7 Ų158.780%0.79681%0.808SS**  cis-144.7132.66.9-139.6-65.1000110.1
580D35.3Very low38.4Very low140 Ų140156.4 Ų156.475%0.74981%0.806SS**  trans-76138.4159.5-65.9-63.8000109.5
581N41.7Very low39.1Very low143 Ų143153.1 Ų153.177%0.76580%0.798SS**  168.2128.8127.3-86.5-12.7000112.7
582C38.1Very low39.8Very low99 Ų99151.4 Ų151.467%0.66980%0.798SS**  trans70.3119.2136-68.40000122.8
583D41.6Very low40.2Very low137 Ų137150.1 Ų150.173%0.73380%0.797SS**  84.897.9126.5-49.9-5.2000120.7
584D42Very low41Very low156 Ų156148.2 Ų148.283%0.83479%0.794SS**  25.9116.5129.8-50-17000121
585V49.8Very low41.7Very low149 Ų149148.3 Ų148.390%0.90380%0.796SS**  trans-147.9139.7134.3-165.30000109.3
586D44.9Very low42.2Very low138 Ų138149 Ų14974%0.73880%0.795SS**  trans-84.7-178.4176.3-64.6-75.1000114.2
587D46.7Very low42.8Very low140 Ų140149.8 Ų149.875%0.74980%0.799SS**  trans68.7137.8163.6-66.2-36.3000117.8
588H52.8Low43Very low166 Ų166147.6 Ų147.677%0.76980%0.796SS**  cis-144164.118.6-101.3-47.6000113.2
589D43.2Very low43.5Very low144 Ų144148.5 Ų148.577%0.7780%0.798SS**  trans-62.2153.9157.9-61.7-71.3000111.9
590D48.6Very low43.6Very low162 Ų162142.9 Ų142.987%0.86679%0.787SS**  -157.8161.1124.5-117.7-31.8000111.4
591N42.3Very low44Very low134 Ų134144 Ų14472%0.71779%0.793SS**  trans-94.6166.4-174.6-58.6-97.4000111.5
592D45.5Very low43.8Very low164 Ų164142.2 Ų142.288%0.87778%0.783SS**  -175.5148121.3-94.4-16.4000111.5
593D42Very low43.7Very low161 Ų161140.8 Ų140.886%0.86177%0.769SS**  trans-82.9153.8179.5-58.4-79.3000113
594A44.5Very low43.7Very low86 Ų86137.6 Ų137.671%0.71176%0.756SS**  trans-174111.314200000113.2
595D45.9Very low43.5Very low164 Ų164134.8 Ų134.888%0.87774%0.742SS**  trans54.1140.4133.1-52.2-28.1000123.5
596E40Very low42.7Very low184 Ų184135.1 Ų135.186%0.8674%0.738SS**  trans-89.6154.1172.2-54.8-175.9146.500112
597E44.4Very low42.3Very low202 Ų202133.8 Ų133.894%0.94473%0.731SS**  trans-137.8153135.5-78.3-156.3158.500110
598D41.9Very low41.8Very low148 Ų148134.3 Ų134.379%0.79173%0.729SS**  trans-112.5172.4-170.1-177.738.2000112.1
599V43Very low40.9Very low130 Ų130129.9 Ų129.979%0.78872%0.721SS**  trans169.9141.1142.8150.10000110
600G41.7Very low40.5Very low54 Ų54128.2 Ų128.256%0.55771%0.711SS**  trans-76-158.6178.300000115.1
601D43.2Very low39.8Very low164 Ų164124.1 Ų124.188%0.87769%0.689SS**  cis-152.6-15915.5-78.1-35.3000108.8
602D37Very low39.5Very low105 Ų105121.2 Ų121.256%0.56168%0.677SS**  -161.8-175.4-76.2-1558.6000109.4S211S211-D602 WeakPolarHBondContact CB-OD1 3.31Å; S211-D602 PolarHBondContact OG-OD1 3.43Å
603N37.5Very low39Very low68 Ų68118.7 Ų118.736%0.36466%0.663SS.*  trans117.393.8170.3-78-60.6000119.6S211 G212 I213 E214S211-N603 CarbonylContact C-O 3.49Å; G212-N603 CarbonylContact C-O 3.55Å; G212-N603 WeakPolarHBondContact CA-O 3.35Å; G212-N603 PolarHBondContact N-O 3.42Å; I213-N603 PolarHBondContact N-O 3.44Å; E214-N603 HydrophobicContact CG-CB 4.25Å; E214-N603 PolarHBondContact OE1-ND2 3.46Å
604C41.7Very low38.6Very low70 Ų70114.4 Ų114.447%0.47364%0.638SS.*  trans-157.9146.3149.7-149.80000114.9
605D36.4Very low38.3Very low98 Ų98114.6 Ų114.652%0.52463%0.627SS.*  trans-106.6130.2-158.6-89.5-68.4000116.8N607D605-N607 VanDerWaalsContact C-N 3.3Å; D605-N607 PolarHBondContact O-N 3.29Å; D605-N607 PolarHBondContact O-ND2 2.58Å
606N34.2Very low38.3Very low155 Ų155109.9 Ų109.983%0.82960%0.604SS**  4825.1122.2-68.9-62.3000120.7
607N35Very low38.5Very low110 Ų110104.3 Ų104.359%0.58858%0.58SS**  trans-106.50.7177.6-77.8-85.6000115D605 N611D605-N607 VanDerWaalsContact C-N 3.3Å; D605-N607 PolarHBondContact O-N 3.29Å; D605-N607 PolarHBondContact O-ND2 2.58Å; N607-N611 PolarHBondContact O-ND2 3.43Å
608E36.6Very low38.5Very low152 Ų15299.7 Ų99.771%0.7156%0.56SS**Hα-helixtrans-77.9-30.8-167.1-162.2162-146.900114.1I610 N611 T612E608-I610 VanDerWaalsContact C-N 3.25Å; E608-I610 PolarHBondContact O-N 3.38Å; E608-N611 PolarHBondContact O-N 3.31Å; E608-T612 HydrophobicContact CG-CG2 4.14Å; E608-T612 WeakPolarHBondContact O-CG2 3.49Å; E608-T612 PolarHBondContact O-N 2.85Å; E608-T612 PolarHBondContact O-OG1 2.77Å; E608-T612 VanDerWaalsContact O-OG1 3.09Å
609A33.9Very low39Very low73 Ų7396.2 Ų96.260%0.60355%0.547SS*.Hα-helixtrans-64.5-24-178.600000114.7T612 N613A609-T612 PolarHBondContact O-OG1 2.94Å; A609-N613 PolarHBondContact O-ND2 3.33Å
610I34.8Very low39.5Very low108 Ų10897.2 Ų97.255%0.55454%0.537SS*.Hα-helixtrans-83.7-48174.4-61.3176000109.3E608 T612 N613 Q614E608-I610 VanDerWaalsContact C-N 3.25Å; E608-I610 PolarHBondContact O-N 3.38Å; I610-T612 VanDerWaalsContact C-N 3.31Å; I610-T612 PolarHBondContact O-N 2.86Å; I610-N613 PolarHBondContact O-N 3.28Å; I610-Q614 HydrophobicContact CG2-CG 4.43Å; I610-Q614 PolarHBondContact O-N 2.88Å
611N34Very low40Very low77 Ų7796 Ų9641%0.41252%0.518SS..Hα-helixtrans-59-36.1177.9-81.5-70.1000113.3N607 E608 N615N607-N611 PolarHBondContact O-ND2 3.43Å; E608-N611 PolarHBondContact O-N 3.31Å; N611-N615 WeakPolarHBondContact O-CB 3.29Å; N611-N615 PolarHBondContact O-N 3.4Å; N611-N615 PolarHBondContact O-ND2 2.98Å
612T35.7Very low40.7Very low73 Ų7392.7 Ų92.745%0.44850%0.5SS..Hα-helixtrans-64.8-42.2177.245.10000112E608 A609 I610 T616E608-T612 HydrophobicContact CG-CG2 4.14Å; E608-T612 WeakPolarHBondContact O-CG2 3.49Å; E608-T612 PolarHBondContact O-N 2.85Å; E608-T612 PolarHBondContact O-OG1 2.77Å; E608-T612 VanDerWaalsContact O-OG1 3.09Å; A609-T612 PolarHBondContact O-OG1 2.94Å; I610-T612 VanDerWaalsContact C-N 3.31Å; I610-T612 PolarHBondContact O-N 2.86Å; T612-T616 WeakPolarHBondContact O-CG2 3.35Å; T612-T616 PolarHBondContact O-N 3.05Å
613N36.3Very low41.9Very low111 Ų11190.5 Ų90.559%0.59449%0.491SS*.Hα-helixtrans-67-49.6177.1-77.6-63.1000111.2A609 I610 N615 T616 D617A609-N613 PolarHBondContact O-ND2 3.33Å; I610-N613 PolarHBondContact O-N 3.28Å; N613-N615 VanDerWaalsContact C-N 3.31Å; N613-N615 PolarHBondContact O-N 3.46Å; N613-T616 PolarHBondContact O-N 3.27Å; N613-T616 PolarHBondContact O-OG1 3.3Å; N613-D617 PolarHBondContact O-N 2.84Å
614Q33.4Very low42.9Very low70 Ų7087.7 Ų87.733%0.32748%0.477SS..Hα-helixtrans-55.7-42177.5-72.4173-23.700112.5E282 I610 T616 D617 M618E282-Q614 PolarHBondContact OE2-NE2 3.17Å; I610-Q614 HydrophobicContact CG2-CG 4.43Å; I610-Q614 PolarHBondContact O-N 2.88Å; Q614-T616 PolarHBondContact O-N 2.89Å; Q614-D617 PolarHBondContact O-N 3.24Å; Q614-M618 WeakPolarHBondContact O-CB 3.36Å; Q614-M618 PolarHBondContact O-N 2.85Å
615N38.4Very low43.9Very low91 Ų9186.9 Ų86.949%0.48747%0.468SS..Hα-helixtrans-64.3-36.4176.3-85.8-70.7000113.1N611 N613 S619N611-N615 WeakPolarHBondContact O-CB 3.29Å; N611-N615 PolarHBondContact O-N 3.4Å; N611-N615 PolarHBondContact O-ND2 2.98Å; N613-N615 VanDerWaalsContact C-N 3.31Å; N613-N615 PolarHBondContact O-N 3.46Å; N615-S619 VanDerWaalsContact O-CB 3.27Å; N615-S619 WeakPolarHBondContact O-CB 3.28Å; N615-S619 PolarHBondContact O-N 3.05Å
616T45.2Very low45.1Very low65 Ų6587.3 Ų87.340%0.39947%0.47SS..Hα-helixtrans-67.4-38.4175.963.50000112.5T612 N613 Q614 S619 R620T612-T616 WeakPolarHBondContact O-CG2 3.35Å; T612-T616 PolarHBondContact O-N 3.05Å; N613-T616 PolarHBondContact O-N 3.27Å; N613-T616 PolarHBondContact O-OG1 3.3Å; Q614-T616 PolarHBondContact O-N 2.89Å; T616-S619 PolarHBondContact O-N 3.01Å; T616-R620 WeakPolarHBondContact O-CG 3.48Å; T616-R620 PolarHBondContact O-N 3.03Å
617D44.3Very low46.4Very low66 Ų6682 Ų8235%0.35344%0.439SS..Hα-helixtrans-76-36.6-177.2-149.849.4000112.3P286 N613 Q614 R620 T621P286-D617 WeakPolarHBondContact CG-OD2 3.47Å; N613-D617 PolarHBondContact O-N 2.84Å; Q614-D617 PolarHBondContact O-N 3.24Å; D617-R620 PolarHBondContact O-N 2.68Å; D617-T621 VanDerWaalsContact O-CB 3.28Å; D617-T621 WeakPolarHBondContact O-CB 3.42Å; D617-T621 PolarHBondContact O-N 3.07Å; D617-T621 PolarHBondContact O-OG1 2.85Å
618M44.6Very low47.8Very low105 Ų10577.4 Ų77.452%0.51741%0.413SS..Hα-helixtrans-63.6-40169.2-178.4163.75200112Q614 T621 L622Q614-M618 WeakPolarHBondContact O-CB 3.36Å; Q614-M618 PolarHBondContact O-N 2.85Å; M618-T621 WeakPolarHBondContact O-CB 3.13Å; M618-T621 PolarHBondContact O-N 2.65Å; M618-L622 HydrophobicContact CG-CD1 3.9Å; M618-L622 WeakPolarHBondContact O-CD1 3.04Å; M618-L622 PolarHBondContact O-N 2.94Å
619S51.8Low49.2Very low75 Ų7577.7 Ų77.752%0.52441%0.409SS..Hα-helixtrans-65.3-41.8176.3-178.20000112.8N615 T616 T623N615-S619 VanDerWaalsContact O-CB 3.27Å; N615-S619 WeakPolarHBondContact O-CB 3.28Å; N615-S619 PolarHBondContact O-N 3.05Å; T616-S619 PolarHBondContact O-N 3.01Å; S619-T623 PolarHBondContact O-N 2.9Å; S619-T623 VanDerWaalsContact O-N 3.09Å; S619-T623 PolarHBondContact O-OG1 3.37Å
620R53.3Low51Low152 Ų15281 Ų8157%0.57441%0.406SS*.Hα-helixtrans-60.9-45.5171.8-72.3168179.5150.50.9111.3T616 D617 L622 T623 A624T616-R620 WeakPolarHBondContact O-CG 3.48Å; T616-R620 PolarHBondContact O-N 3.03Å; D617-R620 PolarHBondContact O-N 2.68Å; R620-L622 PolarHBondContact O-N 3.1Å; R620-T623 PolarHBondContact O-N 3.27Å; R620-T623 VanDerWaalsContact O-N 3.16Å; R620-A624 PolarHBondContact O-N 3.03Å
621T52.2Low52.8Low27 Ų2776.3 Ų76.317%0.16638%0.381CS..Hα-helixtrans-56.5-49177.2-710000112.6L289 D617 M618 T623 A624 L625L289-T621 HydrophobicContact CD1-CG2 3.77Å; L289-T621 HydrophobicContact CD2-CG2 3.8Å; L289-T621 HydrophobicContact CG-CG2 4.38Å; D617-T621 VanDerWaalsContact O-CB 3.28Å; D617-T621 WeakPolarHBondContact O-CB 3.42Å; D617-T621 PolarHBondContact O-N 3.07Å; D617-T621 PolarHBondContact O-OG1 2.85Å; M618-T621 WeakPolarHBondContact O-CB 3.13Å; M618-T621 PolarHBondContact O-N 2.65Å; T621-T623 VanDerWaalsContact C-N 3.34Å; T621-T623 PolarHBondContact O-N 2.66Å; T621-A624 PolarHBondContact O-N 3.39Å; T621-L625 HydrophobicContact CG2-CD1 4.47Å; T621-L625 WeakPolarHBondContact O-CG 3.27Å; T621-L625 PolarHBondContact O-N 3.36Å; T621-L625 VanDerWaalsContact O-N 3.1Å
622L58.4Low54.4Low95 Ų9574 Ų7450%0.49737%0.369SS..Hα-helixtrans-64.1-38.4175.6-90.487.4000112.3M618 R620 L625 N626M618-L622 HydrophobicContact CG-CD1 3.9Å; M618-L622 WeakPolarHBondContact O-CD1 3.04Å; M618-L622 PolarHBondContact O-N 2.94Å; R620-L622 PolarHBondContact O-N 3.1Å; L622-L625 PolarHBondContact O-N 3.04Å; L622-N626 WeakPolarHBondContact O-CB 3.21Å; L622-N626 VanDerWaalsContact O-CG 3.31Å; L622-N626 PolarHBondContact O-N 3.17Å; L622-N626 PolarHBondContact O-ND2 2.86Å
623T61.9Low55.8Low59 Ų5977 Ų7736%0.36238%0.378SS..Hα-helixtrans-63.7-43.9178.7-58.50000111.5M407 S619 R620 T621 N626 Y627M407-T623 HydrophobicContact CE-CG2 3.46Å; M407-T623 VanDerWaalsContact CE-CG2 3.46Å; S619-T623 PolarHBondContact O-N 2.9Å; S619-T623 VanDerWaalsContact O-N 3.09Å; S619-T623 PolarHBondContact O-OG1 3.37Å; R620-T623 PolarHBondContact O-N 3.27Å; R620-T623 VanDerWaalsContact O-N 3.16Å; T621-T623 VanDerWaalsContact C-N 3.34Å; T621-T623 PolarHBondContact O-N 2.66Å; T623-N626 PolarHBondContact O-N 2.92Å; T623-Y627 PolarHBondContact O-N 3.26Å
624A58.3Low57.2Low10 Ų1075.3 Ų75.38%0.08336%0.363CS..Hα-helixtrans-62.4-41.2175.600000112.5F404 R620 T621 Y628F404-A624 HydrophobicContact CE2-CB 4.08Å; R620-A624 PolarHBondContact O-N 3.03Å; T621-A624 PolarHBondContact O-N 3.39Å; A624-Y628 PolarHBondContact O-N 2.97Å; A624-Y628 VanDerWaalsContact O-N 3.08Å
625L62.6Low58.5Low52 Ų5273 Ų7327%0.27235%0.353SS..Hα-helixtrans-63.9-45174.3-72.6173.3000112.2L289 V293 T621 L622 Y627 Y628 Y629L289-L625 HydrophobicContact CD1-CD1 4.2Å; L289-L625 HydrophobicContact CD1-CD2 4.26Å; L289-L625 HydrophobicContact CD1-CG 4.36Å; L289-L625 HydrophobicContact CD2-CG 4.41Å; V293-L625 HydrophobicContact CG2-CD2 4.46Å; T621-L625 HydrophobicContact CG2-CD1 4.47Å; T621-L625 WeakPolarHBondContact O-CG 3.27Å; T621-L625 PolarHBondContact O-N 3.36Å; T621-L625 VanDerWaalsContact O-N 3.1Å; L622-L625 PolarHBondContact O-N 3.04Å; L625-Y627 VanDerWaalsContact C-N 3.33Å; L625-Y627 PolarHBondContact O-N 3.34Å; L625-Y628 WeakPolarHBondContact O-CB 3.42Å; L625-Y628 PolarHBondContact O-N 2.88Å; L625-Y628 VanDerWaalsContact O-N 3.14Å; L625-Y629 VanDerWaalsContact O-CD2 3.29Å; L625-Y629 WeakPolarHBondContact O-CD2 3.48Å; L625-Y629 PolarHBondContact O-N 2.95Å
626N62.4Low59.6Low107 Ų10772.5 Ų72.557%0.57236%0.357SS*.Hα-helixtrans-61.3-41.1178.6-75.9-32.1000111.9L622 T623 Y628 Y629 W630L622-N626 WeakPolarHBondContact O-CB 3.21Å; L622-N626 VanDerWaalsContact O-CG 3.31Å; L622-N626 PolarHBondContact O-N 3.17Å; L622-N626 PolarHBondContact O-ND2 2.86Å; T623-N626 PolarHBondContact O-N 2.92Å; N626-Y628 VanDerWaalsContact C-N 3.32Å; N626-Y628 PolarHBondContact O-N 3.29Å; N626-Y629 PolarHBondContact O-N 3.23Å; N626-W630 WeakPolarHBondContact O-CB 3.12Å; N626-W630 PolarHBondContact O-N 3.33Å
627Y62.1Low60.1Low45 Ų4573.1 Ų73.118%0.17636%0.364CS..Hα-helixtrans-65.2-36.3175.3-134.3-75.8000111.9Q403 M407 T623 L625 W630 W631Q403-Y627 HydrophobicContact CB-CE1 4.31Å; M407-Y627 HydrophobicContact CE-CD2 4.47Å; M407-Y627 HydrophobicContact SD-CD2 3.75Å; M407-Y627 HydrophobicContact SD-CE2 3.92Å; M407-Y627 HydrophobicContact SD-CG 4.45Å; T623-Y627 PolarHBondContact O-N 3.26Å; L625-Y627 VanDerWaalsContact C-N 3.33Å; L625-Y627 PolarHBondContact O-N 3.34Å; Y627-W630 HydrophobicContact CE1-CE3 4.46Å; Y627-W631 PolarHBondContact O-N 2.93Å
628Y63.9Low60.6Low12 Ų1274.7 Ų74.75%0.04737%0.369CS..Hα-helixtrans-66.9-46.4175.4-174.4-118.9000112.7V293 H296 L297 F400 A624 L625 N626 W630 W631 L632V293-Y628 HydrophobicContact CG1-CD2 4.31Å; V293-Y628 HydrophobicContact CG1-CE2 4.46Å; V293-Y628 HydrophobicContact CG1-CG 4.44Å; H296-Y628 HydrophobicContact CB-CE1 4.34Å; H296-Y628 AromaticContact ND1-CE1 3.61Å; H296-Y628 AromaticContact ND1-CZ 3.64Å; H296-Y628 PolarHBondContact ND1-OH 3.27Å; L297-Y628 HydrophobicContact CD1-CE2 4.39Å; L297-Y628 HydrophobicContact CD2-CE2 3.73Å; L297-Y628 HydrophobicContact CG-CE2 3.71Å; L297-Y628 PolarHBondContact N-OH 3.33Å; F400-Y628 HydrophobicContact CE2-CD2 4.05Å; F400-Y628 AromaticContact CZ-CD2 3.8Å; F400-Y628 HydrophobicContact CZ-CD2 3.8Å; F400-Y628 HydrophobicContact CZ-CE2 4.49Å; A624-Y628 PolarHBondContact O-N 2.97Å; A624-Y628 VanDerWaalsContact O-N 3.08Å; L625-Y628 WeakPolarHBondContact O-CB 3.42Å; L625-Y628 PolarHBondContact O-N 2.88Å; L625-Y628 VanDerWaalsContact O-N 3.14Å; N626-Y628 VanDerWaalsContact C-N 3.32Å; N626-Y628 PolarHBondContact O-N 3.29Å; Y628-W630 VanDerWaalsContact C-N 3.34Å; Y628-W630 PolarHBondContact O-N 3.13Å; Y628-W631 HydrophobicContact CD2-CE3 4.47Å; Y628-W631 HydrophobicContact CE2-CE3 4.14Å; Y628-W631 HydrophobicContact CE2-CZ3 4.32Å; Y628-W631 PolarHBondContact O-N 3.39Å; Y628-L632 HydrophobicContact CD1-CD1 4.06Å; Y628-L632 HydrophobicContact CE1-CD1 3.62Å; Y628-L632 HydrophobicContact CE1-CG 4.26Å; Y628-L632 HydrophobicContact CE2-CD2 4.41Å; Y628-L632 HydrophobicContact CE2-CG 4.31Å; Y628-L632 WeakPolarHBondContact O-CG 3.2Å; Y628-L632 PolarHBondContact O-N 3.44Å
629Y64.7Low60.8Low158 Ų15872.3 Ų72.362%0.6236%0.358SS*.Hα-helixtrans-62.4-39.2174.6-82-70000112.4L625 N626 L632 Q633L625-Y629 VanDerWaalsContact O-CD2 3.29Å; L625-Y629 WeakPolarHBondContact O-CD2 3.48Å; L625-Y629 PolarHBondContact O-N 2.95Å; N626-Y629 PolarHBondContact O-N 3.23Å; Y629-L632 PolarHBondContact O-N 2.88Å; Y629-Q633 WeakPolarHBondContact O-CB 3.27Å; Y629-Q633 PolarHBondContact O-N 2.99Å
630W72.1Confident60.2Low144 Ų14472 Ų7255%0.54535%0.354SS..Hα-helixtrans-61.8-44.3174.3-179.385.8000112.1N626 Y627 Y628 Q633 Y634N626-W630 WeakPolarHBondContact O-CB 3.12Å; N626-W630 PolarHBondContact O-N 3.33Å; Y627-W630 HydrophobicContact CE1-CE3 4.46Å; Y628-W630 VanDerWaalsContact C-N 3.34Å; Y628-W630 PolarHBondContact O-N 3.13Å; W630-Q633 PolarHBondContact O-N 2.92Å; W630-Y634 WeakPolarHBondContact O-CB 3.47Å; W630-Y634 PolarHBondContact O-N 3.48Å
631W74.1Confident59.5Low8 Ų875.5 Ų75.53%0.0337%0.367CS..Hα-helixtrans-63.2-43.2176.4179.983.2000112.4L297 V300 F393 K396 L397 F400 Y627 Y628 Q633 Y634 M635L297-W631 HydrophobicContact CD2-CE3 4.49Å; L297-W631 HydrophobicContact CD2-CH2 4Å; L297-W631 HydrophobicContact CD2-CZ3 3.79Å; V300-W631 HydrophobicContact CG1-CZ3 4.47Å; F393-W631 HydrophobicContact CE2-CH2 4.47Å; K396-W631 PolarHBondContact O-NE1 3.18Å; L397-W631 HydrophobicContact CD1-CZ2 4.37Å; F400-W631 HydrophobicContact CB-CG 4.3Å; F400-W631 HydrophobicContact CD2-CB 3.87Å; F400-W631 AromaticContact CD2-CD1 3.89Å; F400-W631 HydrophobicContact CD2-CD2 4.16Å; F400-W631 AromaticContact CD2-CG 3.69Å; F400-W631 HydrophobicContact CD2-CG 3.69Å; F400-W631 HydrophobicContact CE2-CB 4.26Å; F400-W631 HydrophobicContact CE2-CG 4.39Å; F400-W631 HydrophobicContact CG-CD2 4.29Å; F400-W631 HydrophobicContact CG-CG 4.15Å; Y627-W631 PolarHBondContact O-N 2.93Å; Y628-W631 HydrophobicContact CD2-CE3 4.47Å; Y628-W631 HydrophobicContact CE2-CE3 4.14Å; Y628-W631 HydrophobicContact CE2-CZ3 4.32Å; Y628-W631 PolarHBondContact O-N 3.39Å; W631-Q633 VanDerWaalsContact C-N 3.32Å; W631-Q633 PolarHBondContact O-N 3.09Å; W631-Y634 PolarHBondContact O-N 3.32Å; W631-M635 HydrophobicContact CD2-CG 4.05Å; W631-M635 HydrophobicContact CE3-CG 4.47Å; W631-M635 HydrophobicContact CH2-CG 4.32Å; W631-M635 HydrophobicContact CZ2-CG 3.87Å; W631-M635 HydrophobicContact CZ2-SD 4.32Å; W631-M635 WeakPolarHBondContact O-CG 3.31Å; W631-M635 PolarHBondContact O-N 2.76Å
632L66.5Low58.6Low29 Ų2976.3 Ų76.315%0.15238%0.377CS..Hα-helixtrans-59.7-41.8174.3-71.2176.7000112.1V300 Y628 Y629 S636V300-L632 HydrophobicContact CB-CD2 4.47Å; V300-L632 HydrophobicContact CG1-CD2 3.97Å; V300-L632 HydrophobicContact CG2-CD2 3.9Å; Y628-L632 HydrophobicContact CD1-CD1 4.06Å; Y628-L632 HydrophobicContact CE1-CD1 3.62Å; Y628-L632 HydrophobicContact CE1-CG 4.26Å; Y628-L632 HydrophobicContact CE2-CD2 4.41Å; Y628-L632 HydrophobicContact CE2-CG 4.31Å; Y628-L632 WeakPolarHBondContact O-CG 3.2Å; Y628-L632 PolarHBondContact O-N 3.44Å; Y629-L632 PolarHBondContact O-N 2.88Å; L632-S636 VanDerWaalsContact O-CB 3.32Å; L632-S636 WeakPolarHBondContact O-CB 3.28Å; L632-S636 PolarHBondContact O-N 3.31Å; L632-S636 PolarHBondContact O-OG 3.31Å
633Q65Low57.4Low135 Ų13581.7 Ų81.763%0.63140%0.396SS*.Hα-helixtrans-66.3-43.6177.7-169.96429.500111.5Y629 W630 W631 S636 S637Y629-Q633 WeakPolarHBondContact O-CB 3.27Å; Y629-Q633 PolarHBondContact O-N 2.99Å; W630-Q633 PolarHBondContact O-N 2.92Å; W631-Q633 VanDerWaalsContact C-N 3.32Å; W631-Q633 PolarHBondContact O-N 3.09Å; Q633-S636 WeakPolarHBondContact O-CB 3.42Å; Q633-S636 PolarHBondContact O-N 3.21Å; Q633-S637 PolarHBondContact O-N 2.83Å; Q633-S637 PolarHBondContact O-OG 3.11Å
634Y66.2Low56Low76 Ų7687.1 Ų87.130%0.29842%0.417SS..Hα-helixtrans-62.7-45.8177.8175.6-116.6000112.1K396 W630 W631 S636 S637 E638K396-Y634 HydrophobicContact CD-CE1 3.98Å; K396-Y634 WeakPolarHBondContact CE-OH 3.37Å; K396-Y634 PolarHBondContact NZ-OH 3.28Å; W630-Y634 WeakPolarHBondContact O-CB 3.47Å; W630-Y634 PolarHBondContact O-N 3.48Å; W631-Y634 PolarHBondContact O-N 3.32Å; Y634-S636 VanDerWaalsContact C-N 3.31Å; Y634-S636 PolarHBondContact O-N 2.96Å; Y634-S637 WeakPolarHBondContact CA-OG 3.45Å; Y634-S637 PolarHBondContact O-N 2.67Å; Y634-S637 PolarHBondContact O-OG 3.1Å; Y634-E638 HydrophobicContact CD2-CG 4.32Å; Y634-E638 HydrophobicContact CE2-CG 3.78Å; Y634-E638 WeakPolarHBondContact CE2-OE1 3.38Å; Y634-E638 WeakPolarHBondContact O-CG 2.94Å; Y634-E638 PolarHBondContact O-N 3.43Å; Y634-E638 VanDerWaalsContact OH-CD 3.24Å; Y634-E638 PolarHBondContact OH-OE1 3.21Å; Y634-E638 PolarHBondContact OH-OE2 3.21Å
635M60.5Low54.5Low22 Ų2291.8 Ų91.811%0.10845%0.45CS..Hα-helixtrans-60.4-41.6173.3-68.5-61.5-68.100111.3F393 K396 W631 S637 E638 L639F393-M635 HydrophobicContact CD2-CE 3.63Å; F393-M635 HydrophobicContact CE2-CE 3.98Å; K396-M635 HydrophobicContact CB-SD 4.09Å; K396-M635 HydrophobicContact CD-SD 3.69Å; W631-M635 HydrophobicContact CD2-CG 4.05Å; W631-M635 HydrophobicContact CE3-CG 4.47Å; W631-M635 HydrophobicContact CH2-CG 4.32Å; W631-M635 HydrophobicContact CZ2-CG 3.87Å; W631-M635 HydrophobicContact CZ2-SD 4.32Å; W631-M635 WeakPolarHBondContact O-CG 3.31Å; W631-M635 PolarHBondContact O-N 2.76Å; M635-S637 VanDerWaalsContact C-N 3.29Å; M635-S637 PolarHBondContact O-N 3.06Å; M635-E638 PolarHBondContact O-N 3.19Å; M635-E638 VanDerWaalsContact O-N 3.16Å; M635-L639 WeakPolarHBondContact O-CD1 2.92Å; M635-L639 PolarHBondContact O-N 3.31Å
636S61Low53.1Low80 Ų8095.5 Ų95.556%0.55947%0.474SS*.Hα-helixtrans-66.2-26.1178.8-58.60000114L632 Q633 Y634L632-S636 VanDerWaalsContact O-CB 3.32Å; L632-S636 WeakPolarHBondContact O-CB 3.28Å; L632-S636 PolarHBondContact O-N 3.31Å; L632-S636 PolarHBondContact O-OG 3.31Å; Q633-S636 WeakPolarHBondContact O-CB 3.42Å; Q633-S636 PolarHBondContact O-N 3.21Å; Y634-S636 VanDerWaalsContact C-N 3.31Å; Y634-S636 PolarHBondContact O-N 2.96Å
637S57.1Low51.7Low79 Ų7996.7 Ų96.755%0.55249%0.485SS*.Hα-helixtrans-78.8-22.617342.70000114.4Q633 Y634 M635Q633-S637 PolarHBondContact O-N 2.83Å; Q633-S637 PolarHBondContact O-OG 3.11Å; Y634-S637 WeakPolarHBondContact CA-OG 3.45Å; Y634-S637 PolarHBondContact O-N 2.67Å; Y634-S637 PolarHBondContact O-OG 3.1Å; M635-S637 VanDerWaalsContact C-N 3.29Å; M635-S637 PolarHBondContact O-N 3.06Å
638E54.3Low50.1Low98 Ų9899.5 Ų99.546%0.45851%0.511SS..Hα-helixtrans-101.9-4.5-172.8-64.7-123.6169.600114.3K396 Y634 M635K396-E638 VanDerWaalsContact NZ-CD 3.3Å; K396-E638 IonicContact NZ-OE2 3.89Å; K396-E638 PolarHBondContact NZ-OE2 2.92Å; Y634-E638 HydrophobicContact CD2-CG 4.32Å; Y634-E638 HydrophobicContact CE2-CG 3.78Å; Y634-E638 WeakPolarHBondContact CE2-OE1 3.38Å; Y634-E638 WeakPolarHBondContact O-CG 2.94Å; Y634-E638 PolarHBondContact O-N 3.43Å; Y634-E638 VanDerWaalsContact OH-CD 3.24Å; Y634-E638 PolarHBondContact OH-OE1 3.21Å; Y634-E638 PolarHBondContact OH-OE2 3.21Å; M635-E638 PolarHBondContact O-N 3.19Å; M635-E638 VanDerWaalsContact O-N 3.16Å
639L48.2Very low48.5Very low56 Ų56107.8 Ų107.829%0.29355%0.55SS.*SBendtrans-69.5132.9169.8-97.176.3000110.9F304 Y307 M635 R641F304-L639 HydrophobicContact CD2-CD1 4.06Å; F304-L639 HydrophobicContact CD2-CD2 4.13Å; F304-L639 HydrophobicContact CD2-CG 4.41Å; F304-L639 HydrophobicContact CE2-CD1 3.86Å; F304-L639 HydrophobicContact CE2-CD2 4.29Å; F304-L639 HydrophobicContact CE2-CG 4.14Å; Y307-L639 HydrophobicContact CD1-CD2 4.05Å; Y307-L639 HydrophobicContact CE1-CD2 4.19Å; M635-L639 WeakPolarHBondContact O-CD1 2.92Å; M635-L639 PolarHBondContact O-N 3.31Å; L639-R641 PolarHBondContact O-N 3.43Å; L639-R641 VanDerWaalsContact O-N 3.14Å
640P38.7Very low46.8Very low68 Ų68104.2 Ų104.244%0.44255%0.554SS.*  trans-60.5117.1171.8-20.130.5000110.9Y389 A642Y389-P640 HydrophobicContact CE1-CG 3.93Å; Y389-P640 WeakPolarHBondContact OH-CG 3.15Å; P640-A642 PolarHBondContact O-N 2.86Å
641R38.8Very low44.7Very low226 Ų226107.5 Ų107.585%0.85357%0.572SS**  trans-72.193.9176-63.3-172.9-168.3179.65.2110.4L639 K643L639-R641 PolarHBondContact O-N 3.43Å; L639-R641 VanDerWaalsContact O-N 3.14Å; R641-K643 PolarHBondContact O-N 2.81Å
642A34.3Very low42.5Very low43 Ų43113 Ų11336%0.35561%0.606SS.*  trans-58.6119.5164.900000109.2P640 Q644P640-A642 PolarHBondContact O-N 2.86Å; A642-Q644 PolarHBondContact O-N 2.94Å
643K31.9Very low40.6Very low208 Ų208116.4 Ų116.490%0.90463%0.632SS**  trans-73.693.7177.7-67.3-179.5-179177.80109.2R641 S645R641-K643 PolarHBondContact O-N 2.81Å; K643-S645 PolarHBondContact O-N 3.19Å
644Q33.1Very low38.9Very low173 Ų173116.4 Ų116.481%0.80864%0.641SS**  trans-66.8116.5172.6-77.1-177.6-39.400110.4A642 V646A642-Q644 PolarHBondContact O-N 2.94Å; Q644-V646 PolarHBondContact O-N 2.59Å
645S27.8Very low37Very low109 Ų109121.1 Ų121.176%0.76266%0.664SS**  trans-71.4114.2166.150.20000109.4K643 V647K643-S645 PolarHBondContact O-N 3.19Å; S645-V647 PolarHBondContact O-N 2.87Å
646V32.7Very low35.5Very low130 Ų130125.8 Ų125.879%0.78869%0.689SS**  trans-78.8107.4177.6178.90000109.4Q644 S648Q644-V646 PolarHBondContact O-N 2.59Å; V646-S648 PolarHBondContact O-N 2.81Å
647V32Very low33.9Very low132 Ų132129.3 Ų129.380%0.870%0.701SS**  trans-74.6114.9158.4177.40000107S645S645-V647 PolarHBondContact O-N 2.87Å
648S28.2Very low32.4Very low104 Ų104134.7 Ų134.773%0.72772%0.715SS**  trans-87116.7-177.156.40000111.3V646V646-S648 PolarHBondContact O-N 2.81Å
649E30.9Very low31.3Very low185 Ų185136.3 Ų136.386%0.86473%0.734SS**  trans-147.1146.2170-143164.8-137.200114.5
650A29.8Very low30.3Very low84 Ų84138.4 Ų138.469%0.69475%0.753SS**  trans40.481.9163.600000119.3V652A650-V652 PolarHBondContact O-N 2.72Å
651K27.7Very low29.9Very low213 Ų213144.7 Ų144.793%0.92678%0.776SS**  trans-62.397.3158.5179.7-177.1-177.1174.90111.1
652V28.5Very low29.5Very low123 Ų123137.2 Ų137.275%0.74577%0.77SS**  trans-115.5115169-178.30000109.9A650A650-V652 PolarHBondContact O-N 2.72Å
653S26.1Very low29.3Very low101 Ų101140.7 Ų140.771%0.70679%0.79SS**  trans-88.5128.2177.4540000111.6
654V29.3Very low29.3Very low135 Ų135141.3 Ų141.382%0.81879%0.789SS**  trans-120.7103.5161-176.50000108.7
655F25.7Very low29.5Very low175 Ų175137.2 Ų137.277%0.76879%0.785SS**  trans-82.6156.2168.1-111-98000109.8
656N29.4Very low29.8Very low120 Ų120138.1 Ų138.164%0.64278%0.781SS**  trans67.6136.4164.9-49.8-35.5000115.7
657N28.2Very low29.9Very low153 Ų153138.7 Ų138.782%0.81878%0.779SS**  -162.8159.359.4-89.3-68.5000114.1
658F24.9Very low30.1Very low193 Ų193139.7 Ų139.785%0.84678%0.78SS**  trans-72.2152.2156.6-88.4-110.2000110.7S660F658-S660 PolarHBondContact O-N 2.8Å
659P30.8Very low30.5Very low131 Ų131139.3 Ų139.385%0.85178%0.778SS**  trans-76.6106.1168.830.8-32.3000111.4
660S28.2Very low30.7Very low100 Ų100138.1 Ų138.170%0.69978%0.776SS**  trans-156.492.7171.9173.50000113.1F658F658-S660 PolarHBondContact O-N 2.8Å
661H30.6Very low31.6Very low200 Ų200147.4 Ų147.493%0.92680%0.801SS**  trans59.1143166.5-82.6-96.7000119.5
662G29Very low31.7Very low70 Ų70144.2 Ų144.272%0.72280%0.795SS**  trans139.673.4150.200000120.1
663C29.9Very low31.9Very low116 Ų116145.3 Ų145.378%0.78480%0.798SS**  trans33.3120.1139.9-58.70000123.9
664Y31.7Very low32.2Very low220 Ų220147.7 Ų147.786%0.86380%0.803SS**  55.7119.1125.9-71.2-78.5000124.2
665A38.4Very low32.4Very low88 Ų88148.5 Ų148.573%0.72780%0.802SS**  -145127125.800000105.9
666N33.7Very low32.8Very low128 Ų128146.8 Ų146.868%0.68480%0.804SS**  64.9126.779.1-64.925.1000111.5
667D34.1Very low33.1Very low141 Ų141148.6 Ų148.675%0.75482%0.815SS**  cis-141.5-167.819.2-84.5-55.3000113.9
668D38.1Very low33.4Very low154 Ų154148.3 Ų148.382%0.82481%0.814SS**  trans79.670.5161.7-68.6-27.1000122
669S35.1Very low34.1Very low96 Ų96144.8 Ų144.867%0.67181%0.812SS**  63.3129.5106.4-154.80000122.9
670L36.4Very low34.3Very low159 Ų159146 Ų14683%0.83281%0.809SS**  trans65.579.6149.7-73.2166.4000120.3
671K46.9Very low34.9Very low280 Ų280150.2 Ų150.2100%1.21782%0.819SS**  -165.70103.5-112.1177-179.5175.80114.7

Retrieved 671 of 671 residues in 732.9 ms (Link to these results)

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