A0A5K4FA91_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FA91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 358 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
1M53.4Low66.1Low210 Ų210127.2 Ų127.2100%1.03464%0.64SS**  0-37.80-71-177.277.200114.9K3 L4 R5M1-K3 PolarHBondContact O-N 2.94Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-R5 PolarHBondContact O-N 2.77Å
2S72Confident66.5Low89 Ų89124.8 Ų124.862%0.62263%0.629SS**Hα-helixtrans-61.4-39.3-178.359.40000115L4 R5 Q6S2-L4 PolarHBondContact O-N 3.03Å; S2-R5 PolarHBondContact O-N 3.04Å; S2-Q6 PolarHBondContact O-N 3.34Å
3K65.9Low66.8Low175 Ų175128.9 Ų128.976%0.76163%0.633SS**Hα-helixtrans-63.2-39.5178.7-68.1-174.4178.5-179.30113.1M1 Q6 S7M1-K3 PolarHBondContact O-N 2.94Å; K3-Q6 PolarHBondContact O-N 2.9Å; K3-S7 PolarHBondContact O-N 3.16Å
4L65.6Low67Low140 Ų140122.4 Ų122.473%0.73362%0.615SS**Hα-helixtrans-64.8-42.8175.8-93.4139.1000111.8M1 S2 S7 C8M1-L4 PolarHBondContact O-N 3.4Å; S2-L4 PolarHBondContact O-N 3.03Å; L4-S7 PolarHBondContact O-N 2.88Å; L4-C8 PolarHBondContact O-N 3.3Å
5R66.8Low67.5Low194 Ų194121.3 Ų121.373%0.73261%0.61SS**Hα-helixtrans-64.6-41.2177.5-163.5176.7-176-169.71.7112.1M1 S2 C8 L9M1-R5 PolarHBondContact O-N 2.77Å; S2-R5 PolarHBondContact O-N 3.04Å; R5-C8 PolarHBondContact O-N 3.46Å; R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.88Å
6Q64.5Low67.8Low112 Ų112123.1 Ų123.152%0.52361%0.608SS.*Hα-helixtrans-65.8-38.5174.8-77.5-177.3-9.400112.6S2 K3 L9 R10S2-Q6 PolarHBondContact O-N 3.34Å; K3-Q6 PolarHBondContact O-N 2.9Å; Q6-L9 PolarHBondContact O-N 3.46Å; Q6-R10 WeakPolarHBondContact O-CG 3.48Å; Q6-R10 PolarHBondContact O-N 3.45Å
7S70.1Confident68.3Low78 Ų78119.8 Ų119.855%0.54560%0.599SS.*Hα-helixtrans-62.6-46.9175.6-173.20000111.6K3 L4 L9 R10 S11K3-S7 PolarHBondContact O-N 3.16Å; L4-S7 PolarHBondContact O-N 2.88Å; S7-L9 PolarHBondContact O-N 2.84Å; S7-R10 PolarHBondContact O-N 3.35Å; S7-S11 PolarHBondContact O-N 3.29Å
8C65.3Low68.7Low75 Ų75117.6 Ų117.651%0.50759%0.593SS.*Hα-helixtrans-60.1-43.7176.3-1690000112L4 R5 R10 S11 L12L4-C8 PolarHBondContact O-N 3.3Å; R5-C8 PolarHBondContact O-N 3.46Å; C8-R10 VanDerWaalsContact C-N 3.35Å; C8-R10 PolarHBondContact O-N 2.8Å; C8-S11 PolarHBondContact O-N 3.24Å; C8-L12 WeakPolarHBondContact O-CB 3.42Å; C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.9Å
9L67.4Low68.9Low86 Ų86119.5 Ų119.545%0.4559%0.594SS.*Hα-helixtrans-66.4-31.3176.4-72.1170.6000113.8R5 Q6 S7 R13R5-L9 WeakPolarHBondContact O-CG 3.44Å; R5-L9 PolarHBondContact O-N 2.88Å; Q6-L9 PolarHBondContact O-N 3.46Å; S7-L9 PolarHBondContact O-N 2.84Å; L9-R13 WeakPolarHBondContact O-CB 3.21Å; L9-R13 PolarHBondContact O-N 3.2Å
10R68.8Low69.1Low171 Ų171119.1 Ų119.165%0.64559%0.585SS**Hα-helixtrans-71.7-42.4172.9-73.8-177.8-158.1-170.65.5111.3Q6 S7 C8 R13 G14Q6-R10 WeakPolarHBondContact O-CG 3.48Å; Q6-R10 PolarHBondContact O-N 3.45Å; S7-R10 PolarHBondContact O-N 3.35Å; C8-R10 VanDerWaalsContact C-N 3.35Å; C8-R10 PolarHBondContact O-N 2.8Å; R10-R13 PolarHBondContact O-N 2.94Å; R10-G14 PolarHBondContact O-N 3.5Å
11S67.3Low69.5Low69 Ų69119.1 Ų119.148%0.48359%0.588SS.*Hα-helixtrans-59.9-46.9174.1178.40000111.1S7 C8 R13 G14 I15S7-S11 PolarHBondContact O-N 3.29Å; C8-S11 PolarHBondContact O-N 3.24Å; S11-R13 VanDerWaalsContact C-N 3.34Å; S11-R13 PolarHBondContact O-N 3.07Å; S11-G14 PolarHBondContact O-N 2.78Å; S11-G14 VanDerWaalsContact O-N 3.14Å; S11-I15 VanDerWaalsContact O-CG1 3.31Å; S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 3.13Å
12L70.4Confident70.4Confident98 Ų98114.4 Ų114.451%0.51357%0.566SS.*Hα-helixtrans-60.7-39.5174.4-72.2168.7000112.5C8 R16C8-L12 WeakPolarHBondContact O-CB 3.42Å; C8-L12 VanDerWaalsContact O-CG 3.31Å; C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.9Å; L12-R16 VanDerWaalsContact O-CB 3.22Å; L12-R16 WeakPolarHBondContact O-CB 3.26Å; L12-R16 PolarHBondContact O-N 3.23Å
13R70.7Confident70.4Confident179 Ų179112.2 Ų112.268%0.67555%0.553SS**Hα-helixtrans-63.9-42.4173.1-92.3-172.5-96-173.6-10.5112.4L9 R10 S11 R16 S17L9-R13 WeakPolarHBondContact O-CB 3.21Å; L9-R13 PolarHBondContact O-N 3.2Å; R10-R13 PolarHBondContact O-N 2.94Å; S11-R13 VanDerWaalsContact C-N 3.34Å; S11-R13 PolarHBondContact O-N 3.07Å; R13-R16 PolarHBondContact O-N 3.46Å; R13-S17 WeakPolarHBondContact O-CB 3.24Å; R13-S17 PolarHBondContact O-N 2.98Å
14G70.4Confident70.9Confident37 Ų37109.9 Ų109.938%0.38155%0.549SS..Hα-helixtrans-61.4-48.8175.400000111.9R10 S11 R16 S17 V18R10-G14 PolarHBondContact O-N 3.5Å; S11-G14 PolarHBondContact O-N 2.78Å; S11-G14 VanDerWaalsContact O-N 3.14Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 2.79Å; G14-S17 WeakPolarHBondContact O-CB 3.14Å; G14-S17 PolarHBondContact O-N 2.6Å; G14-V18 WeakPolarHBondContact O-CG2 3.14Å; G14-V18 PolarHBondContact O-N 3.46Å
15I73.2Confident71.4Confident107 Ų107106.9 Ų106.955%0.54955%0.545SS..Hα-helixtrans-58.3-45.1175.3-67.4164.8000110.5S11 S17 V18 Y19S11-I15 VanDerWaalsContact O-CG1 3.31Å; S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 3.13Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 2.63Å; I15-V18 PolarHBondContact O-N 3.41Å; I15-Y19 VanDerWaalsContact O-CB 3.27Å; I15-Y19 WeakPolarHBondContact O-CB 3.11Å; I15-Y19 PolarHBondContact O-N 2.95Å
16R73.3Confident71.8Confident150 Ų150102.3 Ų102.357%0.56653%0.534SS*.Hα-helixtrans-64.4-39178.8-160.2-175.2175.1172.2-4.2111.7L12 R13 G14 Y19 Y20L12-R16 VanDerWaalsContact O-CB 3.22Å; L12-R16 WeakPolarHBondContact O-CB 3.26Å; L12-R16 PolarHBondContact O-N 3.23Å; R13-R16 PolarHBondContact O-N 3.46Å; G14-R16 VanDerWaalsContact C-N 3.31Å; G14-R16 PolarHBondContact O-N 2.79Å; R16-Y19 PolarHBondContact O-N 3.34Å; R16-Y20 HydrophobicContact CG-CD2 3.92Å; R16-Y20 HydrophobicContact CG-CE2 3.42Å; R16-Y20 VanDerWaalsContact CG-CE2 3.42Å; R16-Y20 VanDerWaalsContact NE-CE2 3.33Å; R16-Y20 PolarHBondContact NE-OH 2.66Å; R16-Y20 PolarHBondContact NH2-OH 3.39Å; R16-Y20 WeakPolarHBondContact O-CB 3.36Å; R16-Y20 WeakPolarHBondContact O-CD2 3.35Å; R16-Y20 PolarHBondContact O-N 3.1Å
17S76.6Confident72.6Confident66 Ų6698.8 Ų98.846%0.46252%0.521SS..Hα-helixtrans-65.3-44.5175.9-169.30000112.2R13 G14 I15 Y20 L21R13-S17 WeakPolarHBondContact O-CB 3.24Å; R13-S17 PolarHBondContact O-N 2.98Å; G14-S17 WeakPolarHBondContact O-CB 3.14Å; G14-S17 PolarHBondContact O-N 2.6Å; I15-S17 VanDerWaalsContact C-N 3.34Å; I15-S17 PolarHBondContact O-N 2.63Å; S17-Y20 PolarHBondContact O-N 3.06Å; S17-L21 WeakPolarHBondContact O-CG 3.33Å; S17-L21 PolarHBondContact O-N 3.02Å
18V74.5Confident73.1Confident81 Ų81104.5 Ų104.549%0.49154%0.536SS..Hα-helixtrans-64.3-43.9175.6174.30000110.3G14 I15 Y20 L21 L22G14-V18 WeakPolarHBondContact O-CG2 3.14Å; G14-V18 PolarHBondContact O-N 3.46Å; I15-V18 PolarHBondContact O-N 3.41Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 PolarHBondContact O-N 2.86Å; V18-L21 PolarHBondContact O-N 3.14Å; V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.11Å; V18-L22 PolarHBondContact O-N 3.48Å
19Y73.3Confident74.1Confident154 Ų154103.7 Ų103.760%0.60453%0.53SS*.Hα-helixtrans-57.2-44.4174.1177.8-94.2000111.7I15 R16 L22 A23I15-Y19 VanDerWaalsContact O-CB 3.27Å; I15-Y19 WeakPolarHBondContact O-CB 3.11Å; I15-Y19 PolarHBondContact O-N 2.95Å; R16-Y19 PolarHBondContact O-N 3.34Å; Y19-L22 PolarHBondContact O-N 3.44Å; Y19-A23 WeakPolarHBondContact O-CB 3.07Å; Y19-A23 PolarHBondContact O-N 2.84Å
20Y73.3Confident75Confident110 Ų110103.5 Ų103.543%0.43152%0.524SS..Hα-helixtrans-64.9-40.4176.3-77.7-55.5000113R16 S17 V18 N24R16-Y20 HydrophobicContact CG-CD2 3.92Å; R16-Y20 HydrophobicContact CG-CE2 3.42Å; R16-Y20 VanDerWaalsContact CG-CE2 3.42Å; R16-Y20 VanDerWaalsContact NE-CE2 3.33Å; R16-Y20 PolarHBondContact NE-OH 2.66Å; R16-Y20 PolarHBondContact NH2-OH 3.39Å; R16-Y20 WeakPolarHBondContact O-CB 3.36Å; R16-Y20 WeakPolarHBondContact O-CD2 3.35Å; R16-Y20 PolarHBondContact O-N 3.1Å; S17-Y20 PolarHBondContact O-N 3.06Å; V18-Y20 VanDerWaalsContact C-N 3.32Å; V18-Y20 PolarHBondContact O-N 2.86Å; Y20-N24 WeakPolarHBondContact O-CB 3.42Å; Y20-N24 VanDerWaalsContact O-CG 3.26Å; Y20-N24 PolarHBondContact O-N 2.75Å; Y20-N24 PolarHBondContact O-ND2 3.47Å; Y20-N24 VanDerWaalsContact O-ND2 3.1Å
21L75.9Confident76Confident121 Ų121100.3 Ų100.363%0.63452%0.523SS*.Hα-helixtrans-63.7-47.1176-73.2166.8000111.4S17 V18 N24 A25S17-L21 WeakPolarHBondContact O-CG 3.33Å; S17-L21 PolarHBondContact O-N 3.02Å; V18-L21 PolarHBondContact O-N 3.14Å; L21-N24 PolarHBondContact O-N 2.91Å; L21-A25 PolarHBondContact O-N 3.31Å
22L73.2Confident77.1Confident111 Ų111100.7 Ų100.758%0.58152%0.522SS*.Hα-helixtrans-64.7-42177.1-68174.9000111.7V18 Y19 N24 A25 I26V18-L22 HydrophobicContact CG1-CD1 3.81Å; V18-L22 HydrophobicContact CG1-CG 4.2Å; V18-L22 WeakPolarHBondContact O-CB 3.35Å; V18-L22 VanDerWaalsContact O-CG 3.31Å; V18-L22 WeakPolarHBondContact O-CG 3.11Å; V18-L22 PolarHBondContact O-N 3.48Å; Y19-L22 PolarHBondContact O-N 3.44Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 3.42Å; L22-A25 WeakPolarHBondContact O-CB 3.49Å; L22-A25 PolarHBondContact O-N 3.4Å; L22-A25 VanDerWaalsContact O-N 3.15Å; L22-I26 PolarHBondContact O-N 3.03Å
23A71.7Confident78Confident42 Ų4298.8 Ų98.835%0.34751%0.508SS..Hα-helixtrans-62.7-36.5176.900000112.1Y19 I26Y19-A23 WeakPolarHBondContact O-CB 3.07Å; Y19-A23 PolarHBondContact O-N 2.84Å; A23-I26 PolarHBondContact O-N 3.08Å
24N75.9Confident79Confident126 Ų12691.1 Ų91.167%0.67448%0.481SS*.Hα-helixtrans-75.4-22.6175.5-74.2-32.9000113.4Y20 L21 L22 I26Y20-N24 WeakPolarHBondContact O-CB 3.42Å; Y20-N24 VanDerWaalsContact O-CG 3.26Å; Y20-N24 PolarHBondContact O-N 2.75Å; Y20-N24 PolarHBondContact O-ND2 3.47Å; Y20-N24 VanDerWaalsContact O-ND2 3.1Å; L21-N24 PolarHBondContact O-N 2.91Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 3.42Å; N24-I26 VanDerWaalsContact C-N 3.27Å
25A77.2Confident80Confident78 Ų7893.3 Ų93.365%0.64549%0.486SS*.Hα-helixtrans-73.2-20.1174.300000112.8L21 L22L21-A25 PolarHBondContact O-N 3.31Å; L22-A25 WeakPolarHBondContact O-CB 3.49Å; L22-A25 PolarHBondContact O-N 3.4Å; L22-A25 VanDerWaalsContact O-N 3.15Å
26I75.5Confident81Confident98 Ų9892 Ų9250%0.50348%0.48SS..SBendtrans-77126.8-180-63169.4000109.9L22 A23 N24 K28L22-I26 PolarHBondContact O-N 3.03Å; A23-I26 PolarHBondContact O-N 3.08Å; N24-I26 VanDerWaalsContact C-N 3.27Å; I26-K28 PolarHBondContact O-N 3.34Å
27P81.5Confident82Confident38 Ų3886.6 Ų86.625%0.24746%0.464CS..  trans-56.6126.1175.4-25.233.7000112.4S29 V32 R33 L36P27-S29 VanDerWaalsContact C-N 3.32Å; P27-V32 HydrophobicContact CB-CB 4Å; P27-V32 HydrophobicContact CB-CG1 3.65Å; P27-V32 HydrophobicContact CG-CG1 3.87Å; P27-R33 PolarHBondContact O-NH1 2.93Å; P27-L36 HydrophobicContact CG-CD2 4.13Å
28K80.6Confident82.8Confident198 Ų19887.4 Ų87.486%0.86146%0.457SS*.SBendtrans-66-36.3175.9-66.2-176180177.90112I26 R30I26-K28 PolarHBondContact O-N 3.34Å; K28-R30 PolarHBondContact O-N 3.48Å
29S86.2Confident83.9Confident57 Ų5786.1 Ų86.140%0.39945%0.451SS..SBendtrans-66.1120.2175.1173.60000110.2P27 V31 V32 R33P27-S29 VanDerWaalsContact C-N 3.32Å; S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 2.83Å; S29-V31 PolarHBondContact OG-N 3.49Å; S29-V32 PolarHBondContact O-N 2.74Å; S29-V32 PolarHBondContact OG-N 3.39Å; S29-R33 PolarHBondContact O-N 2.91Å
30R86.2Confident84.9Confident82 Ų8283.5 Ų83.531%0.30945%0.447SS..Hα-helixtrans-56.9-40.8174.2-178.4-163.3172.4-172.6-3.2111.9K28 R33 N34 D125 C126K28-R30 PolarHBondContact O-N 3.48Å; R30-R33 PolarHBondContact O-N 3.48Å; R30-N34 VanDerWaalsContact O-CB 3.32Å; R30-N34 WeakPolarHBondContact O-CB 3.48Å; R30-N34 PolarHBondContact O-N 3.07Å; R30-N34 PolarHBondContact O-OD1 2.8Å; R30-D125 WeakPolarHBondContact CD-O 3.48Å; R30-D125 PolarHBondContact NE-O 3.47Å; R30-D125 VanDerWaalsContact NE-O 3.1Å; R30-C126 PolarHBondContact NH1-O 2.94Å; R30-C126 VanDerWaalsContact NH2-CA 3.29Å; R30-C126 VanDerWaalsContact NH2-CB 3.26Å; R30-C126 PolarHBondContact NH2-SG 3.31Å
31V88.7Confident86Confident104 Ų10479.9 Ų79.963%0.6344%0.435SS*.Hα-helixtrans-62.3-48.1-179.8179.10000109.9S29 R33 N34 V35S29-V31 VanDerWaalsContact C-N 3.26Å; S29-V31 PolarHBondContact O-N 2.83Å; S29-V31 PolarHBondContact OG-N 3.49Å; V31-R33 PolarHBondContact O-N 3.11Å; V31-N34 PolarHBondContact O-N 2.96Å; V31-V35 HydrophobicContact CG1-CG2 4.47Å; V31-V35 VanDerWaalsContact O-CG2 3.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.35Å; V31-V35 PolarHBondContact O-N 2.98Å
32V90.5Very high87.1Confident77 Ų7776.5 Ų76.547%0.46742%0.424SS..Hα-helixtrans-62.2-44.9178.3178.50000110.8P27 S29 N34 V35 L36P27-V32 HydrophobicContact CB-CB 4Å; P27-V32 HydrophobicContact CB-CG1 3.65Å; P27-V32 HydrophobicContact CG-CG1 3.87Å; S29-V32 PolarHBondContact O-N 2.74Å; S29-V32 PolarHBondContact OG-N 3.39Å; V32-N34 VanDerWaalsContact C-N 3.35Å; V32-N34 PolarHBondContact O-N 3.23Å; V32-V35 PolarHBondContact O-N 2.73Å; V32-L36 VanDerWaalsContact O-CB 3.29Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 PolarHBondContact O-N 2.9Å
33R89.8Confident88.2Confident58 Ų5876.9 Ų76.922%0.21943%0.425CS..Hα-helixtrans-58.9-46.1177.3-174.7169.766.7-112.111.2111.7P27 S29 R30 V31 L36 V37 D125P27-R33 PolarHBondContact O-NH1 2.93Å; S29-R33 PolarHBondContact O-N 2.91Å; R30-R33 PolarHBondContact O-N 3.48Å; V31-R33 PolarHBondContact O-N 3.11Å; R33-L36 PolarHBondContact O-N 3.27Å; R33-V37 WeakPolarHBondContact O-CG1 3.47Å; R33-V37 WeakPolarHBondContact O-CG2 3.48Å; R33-V37 PolarHBondContact O-N 3.49Å; R33-D125 IonicContact NH2-OD1 2.88Å
34N91.1Very high89.5Confident19 Ų1978 Ų7810%0.10242%0.423CS..Hα-helixtrans-65.3-41.9179.6-72.50.9000112.6R30 V31 V32 V37 R38 G141R30-N34 VanDerWaalsContact O-CB 3.32Å; R30-N34 WeakPolarHBondContact O-CB 3.48Å; R30-N34 PolarHBondContact O-N 3.07Å; R30-N34 PolarHBondContact O-OD1 2.8Å; V31-N34 PolarHBondContact O-N 2.96Å; V32-N34 VanDerWaalsContact C-N 3.35Å; V32-N34 PolarHBondContact O-N 3.23Å; N34-V37 WeakPolarHBondContact O-CG2 3.45Å; N34-R38 WeakPolarHBondContact O-CB 3.1Å; N34-R38 WeakPolarHBondContact O-CD 3.37Å; N34-R38 WeakPolarHBondContact O-CG 3.46Å; N34-R38 PolarHBondContact O-N 2.88Å; N34-G141 PolarHBondContact ND2-O 3.42Å; N34-G141 PolarHBondContact OD1-O 3.38Å
35V92.5Very high90.5Very high82 Ų8272.9 Ų72.950%0.49740%0.396SS..Hα-helixtrans-62.9-47.7175.1171.70000109.8V31 V32 V37 R38 S39V31-V35 HydrophobicContact CG1-CG2 4.47Å; V31-V35 VanDerWaalsContact O-CG2 3.3Å; V31-V35 WeakPolarHBondContact O-CG2 3.35Å; V31-V35 PolarHBondContact O-N 2.98Å; V32-V35 PolarHBondContact O-N 2.73Å; V35-V37 PolarHBondContact O-N 3.01Å; V35-R38 PolarHBondContact O-N 3.22Å; V35-S39 WeakPolarHBondContact O-CB 3.43Å; V35-S39 PolarHBondContact O-N 3.16Å; V35-S39 PolarHBondContact O-OG 3.1Å; V35-S39 VanDerWaalsContact O-OG 3.06Å
36L93.7Very high91.5Very high79 Ų7971.8 Ų71.841%0.41438%0.384SS..Hα-helixtrans-58.5-50.7-178.6179.863.3000112.5P27 V32 R33 R38 S39 I40P27-L36 HydrophobicContact CG-CD2 4.13Å; V32-L36 VanDerWaalsContact O-CB 3.29Å; V32-L36 WeakPolarHBondContact O-CB 3.44Å; V32-L36 PolarHBondContact O-N 2.9Å; R33-L36 PolarHBondContact O-N 3.27Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 2.94Å; L36-S39 PolarHBondContact O-N 2.99Å; L36-I40 HydrophobicContact CD1-CD1 4Å; L36-I40 HydrophobicContact CD1-CG1 4.3Å; L36-I40 HydrophobicContact CG-CD1 3.89Å; L36-I40 VanDerWaalsContact O-CG1 3.3Å; L36-I40 WeakPolarHBondContact O-CG1 3.5Å; L36-I40 PolarHBondContact O-N 3.34Å
37V93.6Very high92.5Very high37 Ų3770.8 Ų70.822%0.22438%0.375CS..Hα-helixtrans-63.8-36.7-179-62.20000112.1R33 N34 V35 I40 L41 T138R33-V37 WeakPolarHBondContact O-CG1 3.47Å; R33-V37 WeakPolarHBondContact O-CG2 3.48Å; R33-V37 PolarHBondContact O-N 3.49Å; N34-V37 WeakPolarHBondContact O-CG2 3.45Å; V35-V37 PolarHBondContact O-N 3.01Å; V37-I40 PolarHBondContact O-N 3.09Å; V37-L41 PolarHBondContact O-N 3.4Å; V37-T138 WeakPolarHBondContact CB-O 3.42Å; V37-T138 WeakPolarHBondContact CG2-O 3.33Å
38R95Very high93.3Very high84 Ų8469.4 Ų69.432%0.31737%0.365SS..Hα-helixtrans-68.3-40.8175.7-69.8170.7-176.2-174-1.5112N34 V35 L36 L41 A42 I87 L140N34-R38 WeakPolarHBondContact O-CB 3.1Å; N34-R38 WeakPolarHBondContact O-CD 3.37Å; N34-R38 WeakPolarHBondContact O-CG 3.46Å; N34-R38 PolarHBondContact O-N 2.88Å; V35-R38 PolarHBondContact O-N 3.22Å; L36-R38 VanDerWaalsContact C-N 3.3Å; L36-R38 PolarHBondContact O-N 2.94Å; R38-L41 PolarHBondContact O-N 3.23Å; R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 3.42Å; R38-I87 HydrophobicContact CG-CD1 4.3Å; R38-L140 PolarHBondContact NE-O 3.26Å; R38-L140 PolarHBondContact NH2-O 2.88Å
39S95.7Very high94.1Very high54 Ų5461.1 Ų61.138%0.37833%0.33SS..Hα-helixtrans-63.8-42.7174.6-64.40000111.5V35 L36 A42 I43V35-S39 WeakPolarHBondContact O-CB 3.43Å; V35-S39 PolarHBondContact O-N 3.16Å; V35-S39 PolarHBondContact O-OG 3.1Å; V35-S39 VanDerWaalsContact O-OG 3.06Å; L36-S39 PolarHBondContact O-N 2.99Å; S39-A42 PolarHBondContact O-N 3.47Å; S39-I43 WeakPolarHBondContact O-CB 3.47Å; S39-I43 WeakPolarHBondContact O-CD1 3.25Å; S39-I43 WeakPolarHBondContact O-CG1 3.09Å; S39-I43 PolarHBondContact O-N 2.87Å
40I96Very high94.6Very high98 Ų9864.1 Ų64.150%0.50334%0.336SS..Hα-helixtrans-60.8-46.5176-69.5166.5000110.5L36 V37 A42 I43 F44L36-I40 HydrophobicContact CD1-CD1 4Å; L36-I40 HydrophobicContact CD1-CG1 4.3Å; L36-I40 HydrophobicContact CG-CD1 3.89Å; L36-I40 VanDerWaalsContact O-CG1 3.3Å; L36-I40 WeakPolarHBondContact O-CG1 3.5Å; L36-I40 PolarHBondContact O-N 3.34Å; V37-I40 PolarHBondContact O-N 3.09Å; I40-A42 PolarHBondContact O-N 3.48Å; I40-I43 PolarHBondContact O-N 3.26Å; I40-F44 VanDerWaalsContact O-CB 3.25Å; I40-F44 WeakPolarHBondContact O-CB 3.39Å; I40-F44 PolarHBondContact O-N 3.48Å
41L96.4Very high95.1Very high35 Ų3561 Ų6118%0.18333%0.325CS..Hα-helixtrans-57.4-49176.5178.764.2000111.4V37 R38 F44 S45 F79 V83 I139 L140V37-L41 PolarHBondContact O-N 3.4Å; R38-L41 PolarHBondContact O-N 3.23Å; L41-F44 PolarHBondContact O-N 3.05Å; L41-S45 WeakPolarHBondContact O-CB 3.18Å; L41-S45 PolarHBondContact O-N 3Å; L41-S45 PolarHBondContact O-OG 3.39Å; L41-F79 HydrophobicContact CD1-CZ 4.36Å; L41-V83 HydrophobicContact CD2-CG1 4.47Å; L41-I139 HydrophobicContact CD1-CG2 4.08Å; L41-I139 HydrophobicContact CD2-CG2 4.11Å; L41-L140 HydrophobicContact CD2-CD2 4.05Å
42A97.5Very high95.5Very high49 Ų4956 Ų5641%0.40530%0.295SS..Hα-helixtrans-65.1-41.8-178.700000112.8R38 S39 I40 S45 S46R38-A42 WeakPolarHBondContact O-CB 3.47Å; R38-A42 PolarHBondContact O-N 3.42Å; S39-A42 PolarHBondContact O-N 3.47Å; I40-A42 PolarHBondContact O-N 3.48Å; A42-S45 PolarHBondContact O-OG 3.41Å; A42-S46 VanDerWaalsContact O-CB 3.23Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.06Å; A42-S46 PolarHBondContact O-OG 3.33Å
43I97.9Very high95.8Very high119 Ų11953.6 Ų53.661%0.6128%0.28SS*.Hα-helixtrans-64.5-47.8176.8-69.7164.9000109.6S39 I40 S46 Y47S39-I43 WeakPolarHBondContact O-CB 3.47Å; S39-I43 WeakPolarHBondContact O-CD1 3.25Å; S39-I43 WeakPolarHBondContact O-CG1 3.09Å; S39-I43 PolarHBondContact O-N 2.87Å; I40-I43 PolarHBondContact O-N 3.26Å; I43-S46 PolarHBondContact O-N 3.35Å; I43-Y47 WeakPolarHBondContact O-CB 3.25Å; I43-Y47 PolarHBondContact O-N 3.48Å
44F97.1Very high96.1Very high67 Ų6758.8 Ų58.829%0.29430%0.3SS..Hα-helixtrans-63.7-47-178.9-178.1-112.3000111.8I40 L41 S46 Y47 L48 I223I40-F44 VanDerWaalsContact O-CB 3.25Å; I40-F44 WeakPolarHBondContact O-CB 3.39Å; I40-F44 PolarHBondContact O-N 3.48Å; L41-F44 PolarHBondContact O-N 3.05Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.47Å; F44-Y47 HydrophobicContact CD2-CD1 4.4Å; F44-Y47 WeakPolarHBondContact O-CB 3.36Å; F44-Y47 PolarHBondContact O-N 3.01Å; F44-L48 HydrophobicContact CD1-CD1 3.99Å; F44-L48 HydrophobicContact CE1-CD1 3.49Å; F44-L48 VanDerWaalsContact CE1-CD1 3.49Å; F44-L48 HydrophobicContact CE1-CG 4.25Å; F44-L48 HydrophobicContact CE2-CD1 4.37Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.29Å; F44-L48 HydrophobicContact CZ-CD1 3.71Å; F44-L48 HydrophobicContact CZ-CD2 4.16Å; F44-L48 HydrophobicContact CZ-CG 4.11Å; F44-L48 WeakPolarHBondContact O-CG 3.38Å; F44-L48 PolarHBondContact O-N 3.5Å; F44-I223 HydrophobicContact CE1-CD1 3.84Å; F44-I223 HydrophobicContact CZ-CD1 4.03Å
45S97.5Very high96.3Very high17 Ų1760.7 Ų60.712%0.11931%0.308CS..Hα-helixtrans-64.5-36.7177.768.40000112.5L41 A42 L49L41-S45 WeakPolarHBondContact O-CB 3.18Å; L41-S45 PolarHBondContact O-N 3Å; L41-S45 PolarHBondContact O-OG 3.39Å; A42-S45 PolarHBondContact O-OG 3.41Å; S45-L49 WeakPolarHBondContact O-CB 3.29Å; S45-L49 PolarHBondContact O-N 3.39Å
46S97.7Very high96.5Very high55 Ų5556.8 Ų56.839%0.38528%0.284SS..Hα-helixtrans-69.5-38176.1-57.10000111.9A42 I43 F44 L49 F50 Y76A42-S46 VanDerWaalsContact O-CB 3.23Å; A42-S46 WeakPolarHBondContact O-CB 3.48Å; A42-S46 PolarHBondContact O-N 3.06Å; A42-S46 PolarHBondContact O-OG 3.33Å; I43-S46 PolarHBondContact O-N 3.35Å; F44-S46 VanDerWaalsContact C-N 3.32Å; F44-S46 PolarHBondContact O-N 3.47Å; S46-L49 PolarHBondContact O-N 3.09Å; S46-F50 WeakPolarHBondContact O-CB 3.22Å; S46-F50 PolarHBondContact O-N 3.2Å; S46-Y76 PolarHBondContact OG-OH 3.24Å
47Y97.4Very high96.6Very high78 Ų7853 Ų5331%0.30627%0.265SS..Hα-helixtrans-61.5-46.5173.8159.7-101.6000111.5I43 F44 F50 L51 I212 T216I43-Y47 WeakPolarHBondContact O-CB 3.25Å; I43-Y47 PolarHBondContact O-N 3.48Å; F44-Y47 HydrophobicContact CD2-CD1 4.4Å; F44-Y47 WeakPolarHBondContact O-CB 3.36Å; F44-Y47 PolarHBondContact O-N 3.01Å; Y47-F50 PolarHBondContact O-N 3.44Å; Y47-L51 PolarHBondContact O-N 2.96Å; Y47-I212 WeakPolarHBondContact OH-CG2 3.33Å; Y47-T216 HydrophobicContact CE1-CG2 4.38Å; Y47-T216 PolarHBondContact OH-OG1 3.07Å
48L97.8Very high96.7Very high8 Ų853.7 Ų53.74%0.04227%0.27CS..Hα-helixtrans-61.2-45.8176.8-68.4177.9000111.4F44 F50 L51 E52 M166 T216 L220F44-L48 HydrophobicContact CD1-CD1 3.99Å; F44-L48 HydrophobicContact CE1-CD1 3.49Å; F44-L48 VanDerWaalsContact CE1-CD1 3.49Å; F44-L48 HydrophobicContact CE1-CG 4.25Å; F44-L48 HydrophobicContact CE2-CD1 4.37Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.29Å; F44-L48 HydrophobicContact CZ-CD1 3.71Å; F44-L48 HydrophobicContact CZ-CD2 4.16Å; F44-L48 HydrophobicContact CZ-CG 4.11Å; F44-L48 WeakPolarHBondContact O-CG 3.38Å; F44-L48 PolarHBondContact O-N 3.5Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.92Å; L48-L51 PolarHBondContact O-N 3.19Å; L48-E52 WeakPolarHBondContact O-CB 3.31Å; L48-E52 PolarHBondContact O-N 3.18Å; L48-M166 HydrophobicContact CB-CE 4.25Å; L48-M166 HydrophobicContact CB-SD 3.81Å; L48-M166 HydrophobicContact CD1-CE 4.16Å; L48-T216 HydrophobicContact CD2-CG2 3.45Å; L48-T216 VanDerWaalsContact CD2-CG2 3.45Å; L48-L220 HydrophobicContact CD1-CD2 3.87Å; L48-L220 HydrophobicContact CD2-CD1 4.34Å; L48-L220 HydrophobicContact CD2-CD2 4.14Å; L48-L220 HydrophobicContact CD2-CG 4.19Å
49L97.8Very high96.7Very high24 Ų2454.4 Ų54.413%0.12627%0.273CS..Hα-helixtrans-59.1-43.8175.9-178.668.7000112S45 S46 E52 L53 L72 Y76S45-L49 WeakPolarHBondContact O-CB 3.29Å; S45-L49 PolarHBondContact O-N 3.39Å; S46-L49 PolarHBondContact O-N 3.09Å; L49-E52 PolarHBondContact O-N 3.27Å; L49-L53 HydrophobicContact CD1-CD1 3.8Å; L49-L53 HydrophobicContact CD1-CG 4.07Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 HydrophobicContact CG-CD1 3.81Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 3.16Å; L49-L72 HydrophobicContact CD1-CD1 4.43Å; L49-L72 HydrophobicContact CD1-CD2 3.81Å; L49-L72 HydrophobicContact CD1-CG 3.79Å; L49-Y76 HydrophobicContact CB-CD2 4.37Å; L49-Y76 HydrophobicContact CB-CE2 4.27Å; L49-Y76 HydrophobicContact CD1-CD2 4.42Å; L49-Y76 HydrophobicContact CD1-CG 4.24Å; L49-Y76 HydrophobicContact CD2-CD1 3.59Å; L49-Y76 HydrophobicContact CD2-CD2 4.11Å; L49-Y76 HydrophobicContact CD2-CE1 3.61Å; L49-Y76 HydrophobicContact CD2-CE2 4.13Å; L49-Y76 HydrophobicContact CD2-CG 3.84Å
50F97.5Very high96.7Very high121 Ų12153.7 Ų53.753%0.53127%0.265SS..Hα-helixtrans-61.6-48.4177.4172.1-92.2000111.5S46 Y47 L48 E52 L53 Y54S46-F50 WeakPolarHBondContact O-CB 3.22Å; S46-F50 PolarHBondContact O-N 3.2Å; Y47-F50 PolarHBondContact O-N 3.44Å; L48-F50 VanDerWaalsContact C-N 3.33Å; L48-F50 PolarHBondContact O-N 2.92Å; F50-E52 VanDerWaalsContact C-N 3.27Å; F50-E52 PolarHBondContact O-N 3.36Å; F50-L53 PolarHBondContact O-N 3.07Å; F50-Y54 AromaticContact CD2-CD2 3.3Å; F50-Y54 HydrophobicContact CD2-CD2 3.3Å; F50-Y54 AromaticContact CD2-CE2 3.69Å; F50-Y54 HydrophobicContact CD2-CE2 3.69Å; F50-Y54 HydrophobicContact CD2-CG 4.15Å; F50-Y54 AromaticContact CE2-CD2 3.53Å; F50-Y54 HydrophobicContact CE2-CD2 3.53Å; F50-Y54 HydrophobicContact CE2-CE2 4.04Å; F50-Y54 AromaticContact CE2-CG 3.94Å; F50-Y54 HydrophobicContact CE2-CG 3.94Å; F50-Y54 HydrophobicContact CG-CD2 4.02Å; F50-Y54 HydrophobicContact CZ-CD2 4.41Å; F50-Y54 WeakPolarHBondContact O-CB 3.49Å; F50-Y54 WeakPolarHBondContact O-CD2 3.19Å; F50-Y54 PolarHBondContact O-N 3.48Å
51L96.6Very high96.6Very high16 Ų1650.9 Ų50.98%0.08425%0.251CS..Hα-helixtrans-59.8-42.1179.3-171.669.7000111.1Y47 L48 F55 V56 L213 T216Y47-L51 PolarHBondContact O-N 2.96Å; L48-L51 PolarHBondContact O-N 3.19Å; L51-F55 HydrophobicContact CD1-CB 4.1Å; L51-F55 HydrophobicContact CD1-CG 4.39Å; L51-F55 WeakPolarHBondContact O-CA 3.31Å; L51-F55 WeakPolarHBondContact O-CB 3.28Å; L51-F55 PolarHBondContact O-N 3.09Å; L51-V56 HydrophobicContact CG-CG2 4.25Å; L51-V56 PolarHBondContact O-N 3Å; L51-L213 HydrophobicContact CD1-CD2 4.31Å; L51-L213 HydrophobicContact CD2-CD2 4.4Å; L51-T216 HydrophobicContact CD2-CG2 3.75Å
52E96.9Very high96.2Very high0 Ų057 Ų570%028%0.278CS..Iπ-helixtrans-67-47.7-179.6-16466.5-159.400111.9L48 L49 F50 L57 L72 M166 Y169 H170L48-E52 WeakPolarHBondContact O-CB 3.31Å; L48-E52 PolarHBondContact O-N 3.18Å; L49-E52 PolarHBondContact O-N 3.27Å; F50-E52 VanDerWaalsContact C-N 3.27Å; F50-E52 PolarHBondContact O-N 3.36Å; E52-L57 HydrophobicContact CG-CD1 3.9Å; E52-L57 HydrophobicContact CG-CG 3.92Å; E52-L57 WeakPolarHBondContact O-CB 3.45Å; E52-L57 WeakPolarHBondContact O-CG 3.45Å; E52-L57 PolarHBondContact O-N 3.45Å; E52-L57 WeakPolarHBondContact OE1-CD2 3.23Å; E52-L57 WeakPolarHBondContact OE1-CG 3.45Å; E52-L72 HydrophobicContact CB-CD2 3.76Å; E52-L72 HydrophobicContact CG-CD2 3.39Å; E52-M166 HydrophobicContact CB-CG 4.36Å; E52-M166 HydrophobicContact CG-CG 3.97Å; E52-Y169 VanDerWaalsContact OE1-CB 3.29Å; E52-Y169 WeakPolarHBondContact OE1-CB 3.43Å; E52-H170 IonicContact OE2-CD2 3.38Å; E52-H170 PolarHBondContact OE2-CD2 3.17Å; E52-H170 IonicContact OE2-NE2 3.76Å
53L96.6Very high95.6Very high26 Ų2662.9 Ų62.914%0.13630%0.297CS..Iπ-helixtrans-73.7-33.8-175.9-71.5177.9000114.5L49 F50 P58 Y69 L72 L73L49-L53 HydrophobicContact CD1-CD1 3.8Å; L49-L53 HydrophobicContact CD1-CG 4.07Å; L49-L53 HydrophobicContact CD2-CD1 4.41Å; L49-L53 HydrophobicContact CG-CD1 3.81Å; L49-L53 HydrophobicContact CG-CG 4.36Å; L49-L53 WeakPolarHBondContact O-CB 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 3.16Å; F50-L53 PolarHBondContact O-N 3.07Å; L53-P58 WeakPolarHBondContact O-CD 3.38Å; L53-P58 WeakPolarHBondContact O-CG 3.31Å; L53-Y69 HydrophobicContact CD2-CD1 3.86Å; L53-Y69 HydrophobicContact CD2-CE1 4.38Å; L53-Y69 HydrophobicContact CD2-CG 3.98Å; L53-Y69 PolarHBondContact O-OH 3.42Å; L53-L72 HydrophobicContact CD2-CD2 3.89Å; L53-L72 HydrophobicContact CG-CD2 4.1Å; L53-L73 HydrophobicContact CD1-CD2 4.04Å
54Y95.3Very high95Very high167 Ų16763.4 Ų63.466%0.65530%0.297SS*.Iπ-helixtrans-107.3-9.3-172.5-66.8-79.9000113.9F50F50-Y54 AromaticContact CD2-CD2 3.3Å; F50-Y54 HydrophobicContact CD2-CD2 3.3Å; F50-Y54 AromaticContact CD2-CE2 3.69Å; F50-Y54 HydrophobicContact CD2-CE2 3.69Å; F50-Y54 HydrophobicContact CD2-CG 4.15Å; F50-Y54 AromaticContact CE2-CD2 3.53Å; F50-Y54 HydrophobicContact CE2-CD2 3.53Å; F50-Y54 HydrophobicContact CE2-CE2 4.04Å; F50-Y54 AromaticContact CE2-CG 3.94Å; F50-Y54 HydrophobicContact CE2-CG 3.94Å; F50-Y54 HydrophobicContact CG-CD2 4.02Å; F50-Y54 HydrophobicContact CZ-CD2 4.41Å; F50-Y54 WeakPolarHBondContact O-CB 3.49Å; F50-Y54 WeakPolarHBondContact O-CD2 3.19Å; F50-Y54 PolarHBondContact O-N 3.48Å
55F95.4Very high94.6Very high59 Ų5962.9 Ų62.926%0.25930%0.295SS..Iπ-helixtrans-130.6-63.6-177.7-165.8-86.4000112.9L51 Y59 L173 Y179 I209 L213L51-F55 HydrophobicContact CD1-CB 4.1Å; L51-F55 HydrophobicContact CD1-CG 4.39Å; L51-F55 WeakPolarHBondContact O-CA 3.31Å; L51-F55 WeakPolarHBondContact O-CB 3.28Å; L51-F55 PolarHBondContact O-N 3.09Å; F55-Y59 VanDerWaalsContact O-CB 3.25Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; F55-Y59 PolarHBondContact O-N 3.03Å; F55-L173 HydrophobicContact CE1-CD2 4.44Å; F55-Y179 HydrophobicContact CE1-CE2 4.03Å; F55-Y179 AromaticContact CZ-CE2 3.57Å; F55-Y179 HydrophobicContact CZ-CE2 3.57Å; F55-Y179 AromaticContact CZ-CZ 3.74Å; F55-I209 HydrophobicContact CE2-CG2 4.11Å; F55-I209 HydrophobicContact CZ-CG2 3.83Å; F55-L213 HydrophobicContact CD1-CD2 3.87Å; F55-L213 HydrophobicContact CE1-CD1 3.6Å; F55-L213 HydrophobicContact CE1-CD2 3.75Å; F55-L213 HydrophobicContact CE1-CG 4.22Å; F55-L213 HydrophobicContact CZ-CD1 4.08Å
56V96.4Very high94.5Very high0 Ų070.3 Ų70.30%032%0.321CS..Iπ-helixtrans-69.3-54.5-168.6-178.90000111.9L51 Y59 L60 L173L51-V56 HydrophobicContact CG-CG2 4.25Å; L51-V56 PolarHBondContact O-N 3Å; V56-Y59 PolarHBondContact O-N 2.91Å; V56-L60 HydrophobicContact CG1-CD1 3.98Å; V56-L60 WeakPolarHBondContact O-CG 3.42Å; V56-L60 PolarHBondContact O-N 3.4Å; V56-L60 VanDerWaalsContact O-N 3.11Å; V56-L173 HydrophobicContact CG1-CB 4.49Å; V56-L173 HydrophobicContact CG1-CD2 4.46Å; V56-L173 HydrophobicContact CG2-CD2 4.31Å
57L96.4Very high94.3Very high0 Ų073 Ų730%033%0.331CS..Hα-helixtrans-68.1-43.4-178.2-66.6177.2000113.5E52 Y59 L60 L61 A68 Y69 L72 F165 Y169E52-L57 HydrophobicContact CG-CD1 3.9Å; E52-L57 HydrophobicContact CG-CG 3.92Å; E52-L57 WeakPolarHBondContact O-CB 3.45Å; E52-L57 WeakPolarHBondContact O-CG 3.45Å; E52-L57 PolarHBondContact O-N 3.45Å; E52-L57 WeakPolarHBondContact OE1-CD2 3.23Å; E52-L57 WeakPolarHBondContact OE1-CG 3.45Å; L57-Y59 PolarHBondContact O-N 3.49Å; L57-L60 PolarHBondContact O-N 3.27Å; L57-L61 HydrophobicContact CD2-CD1 4Å; L57-L61 PolarHBondContact O-N 3.36Å; L57-A68 HydrophobicContact CD1-CB 4.14Å; L57-A68 HydrophobicContact CD2-CB 4.2Å; L57-Y69 HydrophobicContact CB-CD1 4.26Å; L57-Y69 HydrophobicContact CB-CE1 3.55Å; L57-Y69 HydrophobicContact CD1-CD1 3.59Å; L57-Y69 HydrophobicContact CD1-CE1 3.74Å; L57-Y69 HydrophobicContact CG-CE1 4.32Å; L57-L72 HydrophobicContact CD1-CD2 4.21Å; L57-F165 HydrophobicContact CD1-CE1 4.3Å; L57-F165 HydrophobicContact CD2-CE1 4.46Å; L57-Y169 HydrophobicContact CD2-CD1 3.67Å; L57-Y169 HydrophobicContact CD2-CD2 3.65Å; L57-Y169 HydrophobicContact CD2-CE1 3.83Å; L57-Y169 HydrophobicContact CD2-CE2 3.84Å; L57-Y169 HydrophobicContact CD2-CG 3.57Å
58P95.3Very high94.3Very high51 Ų5169.5 Ų69.533%0.33132%0.318SS..Hα-helixtrans-58.6-30.8174.1-18.122.2000113.8L53 Y69L53-P58 WeakPolarHBondContact O-CD 3.38Å; L53-P58 WeakPolarHBondContact O-CG 3.31Å; P58-Y69 WeakPolarHBondContact CD-OH 3.31Å; P58-Y69 VanDerWaalsContact CG-OH 3.29Å; P58-Y69 WeakPolarHBondContact CG-OH 3Å
59Y95.1Very high94.2Very high98 Ų9871.4 Ų71.438%0.38433%0.325SS..Hα-helixtrans-75.3-38.4178.3-176.5-88.5000112.1F55 V56 L57 L173 S177 D178 Y179F55-Y59 VanDerWaalsContact O-CB 3.25Å; F55-Y59 WeakPolarHBondContact O-CB 3.4Å; F55-Y59 PolarHBondContact O-N 3.03Å; V56-Y59 PolarHBondContact O-N 2.91Å; L57-Y59 PolarHBondContact O-N 3.49Å; Y59-L173 HydrophobicContact CD1-CD1 3.21Å; Y59-L173 HydrophobicContact CE1-CD1 3.72Å; Y59-L173 HydrophobicContact CG-CD1 4Å; Y59-S177 WeakPolarHBondContact CE1-OG 3.29Å; Y59-D178 VanDerWaalsContact OH-C 3.27Å; Y59-Y179 HydrophobicContact CD2-CD2 4.14Å; Y59-Y179 HydrophobicContact CE1-CD2 4.29Å; Y59-Y179 HydrophobicContact CE1-CG 4.41Å; Y59-Y179 AromaticContact CE2-CD2 3.81Å; Y59-Y179 HydrophobicContact CE2-CD2 3.81Å; Y59-Y179 AromaticContact CZ-CD2 3.91Å; Y59-Y179 WeakPolarHBondContact OH-CA 3.29Å; Y59-Y179 PolarHBondContact OH-N 3.48Å
60L95.9Very high94.2Very high40 Ų4072.3 Ų72.321%0.20934%0.34CS..Hα-helixtrans-88.2-31.2-175-71177.5000114.5V56 L57 Y169 T172 L173V56-L60 HydrophobicContact CG1-CD1 3.98Å; V56-L60 WeakPolarHBondContact O-CG 3.42Å; V56-L60 PolarHBondContact O-N 3.4Å; V56-L60 VanDerWaalsContact O-N 3.11Å; L57-L60 PolarHBondContact O-N 3.27Å; L60-Y169 HydrophobicContact CD1-CD1 3.91Å; L60-Y169 HydrophobicContact CD1-CG 4.49Å; L60-Y169 VanDerWaalsContact CD1-O 3.24Å; L60-Y169 WeakPolarHBondContact CD1-O 3.39Å; L60-T172 HydrophobicContact CD1-CG2 4.17Å; L60-T172 HydrophobicContact CD2-CG2 4.13Å; L60-L173 HydrophobicContact CD1-CB 4.17Å; L60-L173 HydrophobicContact CD2-CB 4.42Å; L60-L173 HydrophobicContact CD2-CD1 4.14Å; L60-L173 HydrophobicContact CG-CD1 4.22Å
61L94.5Very high94.2Very high39 Ų3970 Ų7020%0.20433%0.332CS..  trans-122.7119.7-170.6-57.4179.5000110.1L57 K65 A68 Y169L57-L61 HydrophobicContact CD2-CD1 4Å; L57-L61 PolarHBondContact O-N 3.36Å; L61-K65 HydrophobicContact CB-CB 3.85Å; L61-A68 HydrophobicContact CD1-CB 3.65Å; L61-Y169 HydrophobicContact CD1-CE1 3.83Å; L61-Y169 HydrophobicContact CD2-CE1 4.31Å; L61-Y169 HydrophobicContact CG-CE1 4.26Å
62E87.3Confident94.2Very high163 Ų16369.4 Ų69.476%0.76233%0.329SS*.SBendtrans-92.4-59.3175.7-65.3-171.7174.200111.8K65E62-K65 WeakPolarHBondContact O-CD 3.31Å; E62-K65 WeakPolarHBondContact O-CE 3.36Å; E62-K65 PolarHBondContact O-NZ 3.44Å
63E85.7Confident94.3Very high173 Ų17373.1 Ų73.181%0.80835%0.349SS*.SBendtrans-85.6-50.2-175-59.9-162.1160.900113K65E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.83Å
64E84Confident94.3Very high129 Ų12978 Ų7860%0.60337%0.369SS*.THydrogen-bonded Turntrans-85.111.3-172.9-65.1-64.5168.100114.6Y66 L67E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.04Å; E64-L67 PolarHBondContact O-N 3.39Å
65K90Very high94.5Very high57 Ų5770.9 Ų70.925%0.24834%0.342CS..Hα-helixtrans-63.2-31.7-173.764.3-171.4170.7-157.80114L61 E62 E63 L67 A68 Y69L61-K65 HydrophobicContact CB-CB 3.85Å; E62-K65 WeakPolarHBondContact O-CD 3.31Å; E62-K65 WeakPolarHBondContact O-CE 3.36Å; E62-K65 PolarHBondContact O-NZ 3.44Å; E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.83Å; K65-L67 PolarHBondContact O-N 3.01Å; K65-A68 PolarHBondContact O-N 3.18Å; K65-Y69 HydrophobicContact CB-CE1 4.25Å; K65-Y69 WeakPolarHBondContact O-CD1 3.26Å; K65-Y69 VanDerWaalsContact O-CG 3.28Å; K65-Y69 PolarHBondContact O-N 3.42Å
66Y94.3Very high94.6Very high172 Ų17270.5 Ų70.568%0.67534%0.339SS*.Hα-helixtrans-68.3-34-176.6-62.4-67.5000112.8E64 Y69 G70E64-Y66 VanDerWaalsContact C-N 3.3Å; E64-Y66 PolarHBondContact O-N 3.04Å; Y66-Y69 PolarHBondContact O-N 3.5Å; Y66-G70 PolarHBondContact O-N 3.01Å
67L94.7Very high94.6Very high113 Ų11374.2 Ų74.259%0.59236%0.362SS*.Hα-helixtrans-66.2-46.3174.6178.561.2000110.6E64 K65 Y69 G70 I71E64-L67 PolarHBondContact O-N 3.39Å; K65-L67 PolarHBondContact O-N 3.01Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.23Å; L67-G70 PolarHBondContact O-N 2.87Å; L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.36Å; L67-I71 HydrophobicContact CG-CD1 4Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 3.42Å
68A96.2Very high94.7Very high4 Ų474.4 Ų74.43%0.03336%0.364CS..Hα-helixtrans-59-42175.500000111.7L57 L61 K65 I71 L72 F165L57-A68 HydrophobicContact CD1-CB 4.14Å; L57-A68 HydrophobicContact CD2-CB 4.2Å; L61-A68 HydrophobicContact CD1-CB 3.65Å; K65-A68 PolarHBondContact O-N 3.18Å; A68-I71 PolarHBondContact O-N 2.99Å; A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 PolarHBondContact O-N 3.29Å; A68-F165 HydrophobicContact CB-CZ 4.07Å
69Y97.2Very high94.8Very high48 Ų4873.4 Ų73.419%0.18835%0.354CS..Hα-helixtrans-61.8-46175.1-69.14.7000111.6L53 L57 P58 K65 Y66 L67 L72 L73L53-Y69 HydrophobicContact CD2-CD1 3.86Å; L53-Y69 HydrophobicContact CD2-CE1 4.38Å; L53-Y69 HydrophobicContact CD2-CG 3.98Å; L53-Y69 PolarHBondContact O-OH 3.42Å; L57-Y69 HydrophobicContact CB-CD1 4.26Å; L57-Y69 HydrophobicContact CB-CE1 3.55Å; L57-Y69 HydrophobicContact CD1-CD1 3.59Å; L57-Y69 HydrophobicContact CD1-CE1 3.74Å; L57-Y69 HydrophobicContact CG-CE1 4.32Å; P58-Y69 WeakPolarHBondContact CD-OH 3.31Å; P58-Y69 VanDerWaalsContact CG-OH 3.29Å; P58-Y69 WeakPolarHBondContact CG-OH 3Å; K65-Y69 HydrophobicContact CB-CE1 4.25Å; K65-Y69 WeakPolarHBondContact O-CD1 3.26Å; K65-Y69 VanDerWaalsContact O-CG 3.28Å; K65-Y69 PolarHBondContact O-N 3.42Å; Y66-Y69 PolarHBondContact O-N 3.5Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.23Å; Y69-L72 PolarHBondContact O-N 2.95Å; Y69-L73 WeakPolarHBondContact O-CB 3.44Å; Y69-L73 VanDerWaalsContact O-CG 3.27Å; Y69-L73 WeakPolarHBondContact O-CG 3.37Å; Y69-L73 PolarHBondContact O-N 2.95Å
70G97.1Very high95Very high42 Ų4270.6 Ų70.643%0.43335%0.348SS..Hα-helixtrans-59.9-46178.200000112.4Y66 L67 F74Y66-G70 PolarHBondContact O-N 3.01Å; L67-G70 PolarHBondContact O-N 2.87Å; G70-F74 VanDerWaalsContact O-CB 3.31Å; G70-F74 WeakPolarHBondContact O-CB 3.22Å; G70-F74 PolarHBondContact O-N 2.68Å
71I97.1Very high95Very high72 Ų7270.2 Ų70.237%0.36935%0.349SS..Hα-helixtrans-61.7-48.2177-68.2168.2000110.7L67 A68 F74 I75 F165L67-I71 HydrophobicContact CD1-CD1 4.12Å; L67-I71 HydrophobicContact CD1-CG1 4.36Å; L67-I71 HydrophobicContact CG-CD1 4Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 3.42Å; A68-I71 PolarHBondContact O-N 2.99Å; I71-F74 PolarHBondContact O-N 3.25Å; I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.19Å; I71-I75 PolarHBondContact O-N 3.2Å; I71-F165 HydrophobicContact CB-CE2 4.23Å; I71-F165 HydrophobicContact CG2-CD2 4.06Å; I71-F165 HydrophobicContact CG2-CE2 3.74Å
72L97.7Very high95.2Very high4 Ų468.3 Ų68.32%0.02134%0.339CS..Hα-helixtrans-63.4-45.6-179-179.163.6000112.2L49 E52 L53 L57 A68 Y69 F74 I75 Y76 F165 M166L49-L72 HydrophobicContact CD1-CD1 4.43Å; L49-L72 HydrophobicContact CD1-CD2 3.81Å; L49-L72 HydrophobicContact CD1-CG 3.79Å; E52-L72 HydrophobicContact CB-CD2 3.76Å; E52-L72 HydrophobicContact CG-CD2 3.39Å; L53-L72 HydrophobicContact CD2-CD2 3.89Å; L53-L72 HydrophobicContact CG-CD2 4.1Å; L57-L72 HydrophobicContact CD1-CD2 4.21Å; A68-L72 WeakPolarHBondContact O-CB 3.32Å; A68-L72 PolarHBondContact O-N 3.29Å; Y69-L72 PolarHBondContact O-N 2.95Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.09Å; L72-I75 PolarHBondContact O-N 2.96Å; L72-Y76 VanDerWaalsContact O-CB 3.31Å; L72-Y76 WeakPolarHBondContact O-CB 3.02Å; L72-Y76 PolarHBondContact O-N 2.88Å; L72-F165 HydrophobicContact CB-CE1 3.98Å; L72-F165 HydrophobicContact CB-CZ 4.29Å; L72-F165 HydrophobicContact CD1-CD1 3.97Å; L72-F165 HydrophobicContact CD1-CE1 4.17Å; L72-F165 HydrophobicContact CD2-CE1 4.44Å; L72-F165 HydrophobicContact CG-CE1 4.43Å; L72-M166 HydrophobicContact CD1-CG 4.24Å
73L97.9Very high95.7Very high79 Ų7961.4 Ų61.441%0.41431%0.308SS..Hα-helixtrans-64.4-37.3178-73172.1000112L53 Y69 T77L53-L73 HydrophobicContact CD1-CD2 4.04Å; Y69-L73 WeakPolarHBondContact O-CB 3.44Å; Y69-L73 VanDerWaalsContact O-CG 3.27Å; Y69-L73 WeakPolarHBondContact O-CG 3.37Å; Y69-L73 PolarHBondContact O-N 2.95Å; L73-T77 WeakPolarHBondContact O-CB 3.33Å; L73-T77 PolarHBondContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 3.01Å
74F97.4Very high96.3Very high128 Ų12857.5 Ų57.556%0.56130%0.296SS*.Hα-helixtrans-62.5-52.4173.1173.4-102.2000111.4G70 I71 L72 Y76 T77 C78G70-F74 VanDerWaalsContact O-CB 3.31Å; G70-F74 WeakPolarHBondContact O-CB 3.22Å; G70-F74 PolarHBondContact O-N 2.68Å; I71-F74 PolarHBondContact O-N 3.25Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.09Å; F74-Y76 VanDerWaalsContact C-N 3.3Å; F74-Y76 PolarHBondContact O-N 3.2Å; F74-T77 PolarHBondContact O-N 3.21Å; F74-C78 PolarHBondContact O-N 2.82Å; F74-C78 PolarHBondContact O-SG 3.31Å
75I98Very high96.9Very high18 Ų1853.5 Ų53.59%0.09228%0.278CS..Hα-helixtrans-57.3-45.6177.9-68.4168000110.5I71 L72 T77 C78 F79 Y158 L161I71-I75 HydrophobicContact CG2-CD1 3.73Å; I71-I75 HydrophobicContact CG2-CG1 4.46Å; I71-I75 VanDerWaalsContact O-CG1 3.31Å; I71-I75 WeakPolarHBondContact O-CG1 3.19Å; I71-I75 PolarHBondContact O-N 3.2Å; L72-I75 PolarHBondContact O-N 2.96Å; I75-T77 PolarHBondContact O-N 2.89Å; I75-C78 PolarHBondContact O-N 2.78Å; I75-F79 WeakPolarHBondContact O-CB 3.48Å; I75-F79 PolarHBondContact O-N 3.23Å; I75-Y158 WeakPolarHBondContact CG2-O 3.3Å; I75-L161 HydrophobicContact CD1-CB 4.32Å; I75-L161 HydrophobicContact CG2-CB 4.33Å
76Y98.3Very high97.2Very high50 Ų5050.8 Ų50.820%0.19627%0.267CS..Hα-helixtrans-62.7-41.8179.6-173.2-102.7000112.5S46 L49 L72 F74 F79 C80S46-Y76 PolarHBondContact OG-OH 3.24Å; L49-Y76 HydrophobicContact CB-CD2 4.37Å; L49-Y76 HydrophobicContact CB-CE2 4.27Å; L49-Y76 HydrophobicContact CD1-CD2 4.42Å; L49-Y76 HydrophobicContact CD1-CG 4.24Å; L49-Y76 HydrophobicContact CD2-CD1 3.59Å; L49-Y76 HydrophobicContact CD2-CD2 4.11Å; L49-Y76 HydrophobicContact CD2-CE1 3.61Å; L49-Y76 HydrophobicContact CD2-CE2 4.13Å; L49-Y76 HydrophobicContact CD2-CG 3.84Å; L72-Y76 VanDerWaalsContact O-CB 3.31Å; L72-Y76 WeakPolarHBondContact O-CB 3.02Å; L72-Y76 PolarHBondContact O-N 2.88Å; F74-Y76 VanDerWaalsContact C-N 3.3Å; F74-Y76 PolarHBondContact O-N 3.2Å; Y76-F79 PolarHBondContact O-N 2.98Å; Y76-C80 WeakPolarHBondContact CE1-SG 3.14Å; Y76-C80 VanDerWaalsContact CZ-SG 3.58Å; Y76-C80 WeakPolarHBondContact O-CB 3.5Å; Y76-C80 PolarHBondContact O-N 3.37Å; Y76-C80 PolarHBondContact O-SG 3.46Å
77T97.6Very high97.3Very high78 Ų7844.8 Ų44.848%0.47925%0.246SC..Hα-helixtrans-64.1-45.3177.1-59.90000111.3L73 F74 I75 C80 S81L73-T77 WeakPolarHBondContact O-CB 3.33Å; L73-T77 PolarHBondContact O-N 3.14Å; L73-T77 PolarHBondContact O-OG1 3.01Å; F74-T77 PolarHBondContact O-N 3.21Å; I75-T77 PolarHBondContact O-N 2.89Å; T77-C80 PolarHBondContact O-N 2.88Å; T77-S81 WeakPolarHBondContact O-CB 3.2Å; T77-S81 PolarHBondContact O-N 3.18Å; T77-S81 PolarHBondContact O-OG 2.88Å; T77-S81 VanDerWaalsContact O-OG 3.08Å
78C97.6Very high97.4Very high5 Ų548.2 Ų48.23%0.03425%0.252CS..Hα-helixtrans-62.4-41.3175.6-740000112.3F74 I75 S82 Y158F74-C78 PolarHBondContact O-N 2.82Å; F74-C78 PolarHBondContact O-SG 3.31Å; I75-C78 PolarHBondContact O-N 2.78Å; C78-S82 VanDerWaalsContact O-CB 3.3Å; C78-S82 WeakPolarHBondContact O-CB 3.29Å; C78-S82 PolarHBondContact O-N 3.25Å; C78-S82 PolarHBondContact O-OG 3.32Å; C78-Y158 HydrophobicContact CB-CD1 3.49Å; C78-Y158 VanDerWaalsContact CB-CD1 3.49Å; C78-Y158 HydrophobicContact CB-CD2 3.72Å; C78-Y158 HydrophobicContact CB-CE1 3.36Å; C78-Y158 HydrophobicContact CB-CE2 3.62Å; C78-Y158 HydrophobicContact CB-CG 3.66Å
79F98.1Very high97.4Very high29 Ų2952 Ų5213%0.12727%0.268CS..Hα-helixtrans-59.7-53.7173.5175.5-103.6000111.3L41 I75 Y76 S81 S82 V83 T155L41-F79 HydrophobicContact CD1-CZ 4.36Å; I75-F79 WeakPolarHBondContact O-CB 3.48Å; I75-F79 PolarHBondContact O-N 3.23Å; Y76-F79 PolarHBondContact O-N 2.98Å; F79-S81 VanDerWaalsContact C-N 3.31Å; F79-S81 PolarHBondContact O-N 3.46Å; F79-S82 WeakPolarHBondContact O-CB 3.36Å; F79-S82 PolarHBondContact O-N 2.8Å; F79-S82 VanDerWaalsContact O-N 3.15Å; F79-V83 HydrophobicContact CD1-CG2 4.48Å; F79-V83 HydrophobicContact CD2-CG2 4.38Å; F79-V83 HydrophobicContact CE1-CG2 4.09Å; F79-V83 HydrophobicContact CE2-CG2 3.99Å; F79-V83 HydrophobicContact CZ-CG2 3.83Å; F79-V83 WeakPolarHBondContact O-CG2 3.43Å; F79-V83 PolarHBondContact O-N 2.92Å; F79-T155 HydrophobicContact CD2-CG2 4.36Å; F79-T155 HydrophobicContact CE2-CG2 3.82Å
80C97.9Very high97.3Very high40 Ų4053.5 Ų53.527%0.2728%0.279SS..Hα-helixtrans-58.7-42.1-179.6-700000112.4Y76 T77 T84Y76-C80 WeakPolarHBondContact CE1-SG 3.14Å; Y76-C80 VanDerWaalsContact CZ-SG 3.58Å; Y76-C80 WeakPolarHBondContact O-CB 3.5Å; Y76-C80 PolarHBondContact O-N 3.37Å; Y76-C80 PolarHBondContact O-SG 3.46Å; T77-C80 PolarHBondContact O-N 2.88Å; C80-T84 WeakPolarHBondContact O-CB 3.49Å; C80-T84 PolarHBondContact O-N 3.14Å; C80-T84 PolarHBondContact O-OG1 2.89Å
81S97.3Very high97.3Very high31 Ų3151.8 Ų51.822%0.21726%0.26CS..Hα-helixtrans-68-39.9177.7-680000112.1T77 F79 T84 L85 F337T77-S81 WeakPolarHBondContact O-CB 3.2Å; T77-S81 PolarHBondContact O-N 3.18Å; T77-S81 PolarHBondContact O-OG 2.88Å; T77-S81 VanDerWaalsContact O-OG 3.08Å; F79-S81 VanDerWaalsContact C-N 3.31Å; F79-S81 PolarHBondContact O-N 3.46Å; S81-T84 PolarHBondContact O-N 2.88Å; S81-L85 WeakPolarHBondContact O-CB 3.5Å; S81-L85 VanDerWaalsContact O-CG 3.26Å; S81-L85 WeakPolarHBondContact O-CG 3.31Å; S81-L85 PolarHBondContact O-N 3.41Å; S81-F337 VanDerWaalsContact CB-CZ 3.41Å; S81-F337 WeakPolarHBondContact OG-CZ 3.17Å
82S98Very high97.3Very high0 Ų048.8 Ų48.80%025%0.246CC..Hα-helixtrans-62.8-45.3175.9-58.90000111.8C78 F79 L85 C86 N154 T155C78-S82 VanDerWaalsContact O-CB 3.3Å; C78-S82 WeakPolarHBondContact O-CB 3.29Å; C78-S82 PolarHBondContact O-N 3.25Å; C78-S82 PolarHBondContact O-OG 3.32Å; F79-S82 WeakPolarHBondContact O-CB 3.36Å; F79-S82 PolarHBondContact O-N 2.8Å; F79-S82 VanDerWaalsContact O-N 3.15Å; S82-L85 PolarHBondContact O-N 2.84Å; S82-C86 WeakPolarHBondContact O-CB 3.22Å; S82-C86 PolarHBondContact O-N 2.77Å; S82-N154 VanDerWaalsContact OG-CB 3.23Å; S82-N154 WeakPolarHBondContact OG-CB 3.23Å; S82-T155 WeakPolarHBondContact CB-OG1 3.38Å
83V98Very high97.2Very high17 Ų1749.3 Ų49.310%0.10325%0.249CC..Hα-helixtrans-59.5-48.6174.7169.30000110.5L41 F79 L85 C86 I87 L140 T155L41-V83 HydrophobicContact CD2-CG1 4.47Å; F79-V83 HydrophobicContact CD1-CG2 4.48Å; F79-V83 HydrophobicContact CD2-CG2 4.38Å; F79-V83 HydrophobicContact CE1-CG2 4.09Å; F79-V83 HydrophobicContact CE2-CG2 3.99Å; F79-V83 HydrophobicContact CZ-CG2 3.83Å; F79-V83 WeakPolarHBondContact O-CG2 3.43Å; F79-V83 PolarHBondContact O-N 2.92Å; V83-L85 PolarHBondContact O-N 3.29Å; V83-C86 PolarHBondContact O-N 2.86Å; V83-I87 HydrophobicContact CG1-CD1 3.73Å; V83-I87 WeakPolarHBondContact O-CB 3.4Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.15Å; V83-L140 HydrophobicContact CG1-CD2 3.91Å; V83-L140 HydrophobicContact CG2-CD2 4.37Å; V83-T155 HydrophobicContact CG2-CG2 3.54Å; V83-T155 PolarHBondContact N-OG1 3.03Å
84T97.2Very high96.9Very high92 Ų9252.7 Ų52.756%0.56426%0.256SS*.Hα-helixtrans-61.3-47.2-178.8-590000111.5C80 S81 I87 Y88C80-T84 WeakPolarHBondContact O-CB 3.49Å; C80-T84 PolarHBondContact O-N 3.14Å; C80-T84 PolarHBondContact O-OG1 2.89Å; S81-T84 PolarHBondContact O-N 2.88Å; T84-I87 PolarHBondContact O-N 3.39Å; T84-Y88 WeakPolarHBondContact O-CB 2.98Å; T84-Y88 PolarHBondContact O-N 2.96Å
85L97Very high96.6Very high44 Ų4453.3 Ų53.323%0.2327%0.265CS..Hα-helixtrans-65.9-39.1177.9-71.4167.3000112S81 S82 V83 I87 Y88 K89 Y151 P336 F337S81-L85 WeakPolarHBondContact O-CB 3.5Å; S81-L85 VanDerWaalsContact O-CG 3.26Å; S81-L85 WeakPolarHBondContact O-CG 3.31Å; S81-L85 PolarHBondContact O-N 3.41Å; S82-L85 PolarHBondContact O-N 2.84Å; V83-L85 PolarHBondContact O-N 3.29Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.45Å; L85-Y88 PolarHBondContact O-N 3.43Å; L85-K89 WeakPolarHBondContact O-CB 3.46Å; L85-K89 VanDerWaalsContact O-CG 3.29Å; L85-K89 WeakPolarHBondContact O-CG 3.33Å; L85-K89 PolarHBondContact O-N 3.44Å; L85-K89 VanDerWaalsContact O-N 3.13Å; L85-Y151 HydrophobicContact CB-CD1 3.57Å; L85-Y151 HydrophobicContact CB-CD2 4.34Å; L85-Y151 HydrophobicContact CB-CE1 3.87Å; L85-Y151 HydrophobicContact CB-CG 3.81Å; L85-Y151 HydrophobicContact CD1-CD1 3.99Å; L85-Y151 HydrophobicContact CD1-CE1 3.84Å; L85-Y151 HydrophobicContact CG-CD1 4.39Å; L85-Y151 HydrophobicContact CG-CE1 4.34Å; L85-P336 HydrophobicContact CD1-CB 4.11Å; L85-F337 HydrophobicContact CD1-CD1 4.43Å; L85-F337 HydrophobicContact CD1-CE1 4.48Å
86C97.6Very high96.2Very high0 Ų055.9 Ų55.90%028%0.278CS..Hα-helixtrans-61.4-40.9175-171.40000111.4S82 V83 Q142 N148S82-C86 WeakPolarHBondContact O-CB 3.22Å; S82-C86 PolarHBondContact O-N 2.77Å; V83-C86 PolarHBondContact O-N 2.86Å; C86-Q142 PolarHBondContact O-NE2 3.2Å; C86-Q142 PolarHBondContact O-OE1 3.24Å; C86-Q142 PolarHBondContact SG-NE2 2.96Å; C86-N148 PolarHBondContact O-ND2 3.1Å
87I96.3Very high95.7Very high47 Ų4760.8 Ų60.824%0.24131%0.308CS..Hα-helixtrans-70.9-38.9177.7-71169000112.4R38 V83 T84 L85 K89 L140R38-I87 HydrophobicContact CG-CD1 4.3Å; V83-I87 HydrophobicContact CG1-CD1 3.73Å; V83-I87 WeakPolarHBondContact O-CB 3.4Å; V83-I87 WeakPolarHBondContact O-CG1 3.27Å; V83-I87 PolarHBondContact O-N 3.15Å; T84-I87 PolarHBondContact O-N 3.39Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.45Å; I87-K89 VanDerWaalsContact C-N 3.33Å; I87-L140 HydrophobicContact CD1-CD2 4.49Å
88Y96.1Very high95.2Very high185 Ų18557.5 Ų57.573%0.72529%0.287SS*.Hα-helixtrans-70-31.8-177.4-175.4-104000112.8T84 L85 D90T84-Y88 WeakPolarHBondContact O-CB 2.98Å; T84-Y88 PolarHBondContact O-N 2.96Å; L85-Y88 PolarHBondContact O-N 3.43Å; Y88-D90 PolarHBondContact O-N 3.14Å
89K95.5Very high94.5Very high83 Ų8362 Ų6236%0.36132%0.319SS..SBendtrans-85.598-178.7-66.3-70.8-175.7-178.10110.6L85 I87 P91 N148 Y151L85-K89 WeakPolarHBondContact O-CB 3.46Å; L85-K89 VanDerWaalsContact O-CG 3.29Å; L85-K89 WeakPolarHBondContact O-CG 3.33Å; L85-K89 PolarHBondContact O-N 3.44Å; L85-K89 VanDerWaalsContact O-N 3.13Å; I87-K89 VanDerWaalsContact C-N 3.33Å; K89-P91 VanDerWaalsContact O-CD 3.26Å; K89-P91 WeakPolarHBondContact O-CD 3.34Å; K89-N148 HydrophobicContact CB-CB 3.82Å; K89-N148 VanDerWaalsContact O-CB 3.29Å; K89-N148 WeakPolarHBondContact O-CB 3.13Å; K89-N148 PolarHBondContact O-ND2 3.38Å; K89-Y151 HydrophobicContact CD-CE2 4.48Å; K89-Y151 HydrophobicContact CG-CD2 4.08Å; K89-Y151 HydrophobicContact CG-CE2 3.7Å
90D95.8Very high93.7Very high80 Ų8065.3 Ų65.343%0.42835%0.345SS..  trans-71.9117.5175.4-175.54.9000111.2Y88 S92Y88-D90 PolarHBondContact O-N 3.14Å; D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.14Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 3.21Å; D90-S92 PolarHBondContact OD1-OG 3.45Å; D90-S92 PolarHBondContact OD2-OG 3.14Å
91P97Very high93.1Very high5 Ų569.1 Ų69.13%0.03236%0.357CS..  trans-86.17.6176.336.9-35.4000113.3K89 V130 L131 C143 A147K89-P91 VanDerWaalsContact O-CD 3.26Å; K89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-V130 HydrophobicContact CB-CG1 3.92Å; P91-V130 HydrophobicContact CG-CG1 3.82Å; P91-L131 PolarHBondContact O-N 3.12Å; P91-C143 HydrophobicContact CG-CB 4.42Å; P91-C143 WeakPolarHBondContact CG-O 3.21Å; P91-A147 HydrophobicContact CB-CB 4.32Å
92S97.1Very high92.5Very high10 Ų1070.3 Ų70.37%0.0737%0.365CS..BIsolated β-bridgetrans-79.7166.7-177.683.90000114.1D90 R94 C129D90-S92 VanDerWaalsContact C-N 3.27Å; D90-S92 PolarHBondContact O-N 3.14Å; D90-S92 WeakPolarHBondContact OD1-CB 3.44Å; D90-S92 PolarHBondContact OD1-N 3.21Å; D90-S92 PolarHBondContact OD1-OG 3.45Å; D90-S92 PolarHBondContact OD2-OG 3.14Å; S92-R94 PolarHBondContact O-N 3.19Å; S92-R94 WeakPolarHBondContact OG-CB 3.43Å; S92-R94 PolarHBondContact OG-N 3Å; S92-C129 WeakPolarHBondContact CA-O 3.41Å
93I96Very high92Very high15 Ų1576.2 Ų76.28%0.07739%0.388CS..SBendtrans-78.62.8175.564.4162.1000114.4N95 L96 L98 T114 I128 C129 L131I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 3.07Å; I93-N95 VanDerWaalsContact O-N 3.11Å; I93-L96 PolarHBondContact O-N 3.08Å; I93-L96 VanDerWaalsContact O-N 3.13Å; I93-L98 HydrophobicContact CB-CD1 4.03Å; I93-L98 HydrophobicContact CD1-CD1 3.94Å; I93-L98 HydrophobicContact CG2-CD1 4.06Å; I93-T114 HydrophobicContact CD1-CG2 3.48Å; I93-T114 VanDerWaalsContact CD1-CG2 3.48Å; I93-I128 HydrophobicContact CG1-CD1 4.27Å; I93-I128 HydrophobicContact CG1-CG1 3.9Å; I93-C129 HydrophobicContact CD1-CB 3.76Å; I93-C129 HydrophobicContact CG1-CB 3.95Å; I93-C129 HydrophobicContact CG2-CB 4.15Å; I93-C129 PolarHBondContact N-O 3.32Å; I93-L131 HydrophobicContact CG2-CD2 3.69Å; I93-L131 HydrophobicContact CG2-CG 4.14Å
94R92.3Very high91.5Very high149 Ų14982.1 Ų82.156%0.56243%0.426SS*.THydrogen-bonded Turntrans-52.2-40.7-166.7-176.3178-62.1-76.6-5.5114.2S92 I128S92-R94 PolarHBondContact O-N 3.19Å; S92-R94 WeakPolarHBondContact OG-CB 3.43Å; S92-R94 PolarHBondContact OG-N 3Å; R94-I128 HydrophobicContact CB-CD1 3.7Å; R94-I128 HydrophobicContact CG-CD1 4.44Å
95N89.3Confident90.9Very high141 Ų14182.2 Ų82.275%0.75442%0.424SS*.THydrogen-bonded Turntrans-108.825.7-173-59.8-38.4000112.3I93I93-N95 VanDerWaalsContact C-N 3.26Å; I93-N95 PolarHBondContact O-N 3.07Å; I93-N95 VanDerWaalsContact O-N 3.11Å
96L91Very high90.7Very high72 Ų7281 Ų8138%0.37742%0.416SS..  trans-115.2127.4-176.8-59.9179000111.6I93 L98 L131 L347I93-L96 PolarHBondContact O-N 3.08Å; I93-L96 VanDerWaalsContact O-N 3.13Å; L96-L98 HydrophobicContact CB-CD2 3.96Å; L96-L98 HydrophobicContact CB-CG 4.22Å; L96-L98 HydrophobicContact CD1-CD2 4.47Å; L96-L98 PolarHBondContact O-N 3.12Å; L96-L98 VanDerWaalsContact O-N 3.14Å; L96-L131 HydrophobicContact CD1-CD1 3.53Å; L96-L131 HydrophobicContact CD1-CG 4.3Å; L96-L347 HydrophobicContact CD1-CD2 4.4Å
97L87.6Confident90.4Very high154 Ų15484 Ų8481%0.80644%0.435SS*.  trans-80.789.1169.3-65.2177.4000109.5S100L97-S100 PolarHBondContact O-OG 3.36Å
98L87.3Confident90.2Very high8 Ų887.6 Ų87.64%0.04245%0.446CS..  trans-77.4-33.2-173.7-69.8-175.2000113.9I93 L96 S100 K101 S102 W106 L115 P117 L347I93-L98 HydrophobicContact CB-CD1 4.03Å; I93-L98 HydrophobicContact CD1-CD1 3.94Å; I93-L98 HydrophobicContact CG2-CD1 4.06Å; L96-L98 HydrophobicContact CB-CD2 3.96Å; L96-L98 HydrophobicContact CB-CG 4.22Å; L96-L98 HydrophobicContact CD1-CD2 4.47Å; L96-L98 PolarHBondContact O-N 3.12Å; L96-L98 VanDerWaalsContact O-N 3.14Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 2.91Å; L98-K101 PolarHBondContact O-N 3.06Å; L98-S102 PolarHBondContact O-N 3.35Å; L98-W106 HydrophobicContact CB-CZ3 4Å; L98-W106 HydrophobicContact CD2-CH2 4.09Å; L98-W106 HydrophobicContact CD2-CZ3 4.08Å; L98-W106 HydrophobicContact CG-CZ3 4.49Å; L98-L115 VanDerWaalsContact CD1-O 3.23Å; L98-L115 WeakPolarHBondContact CD1-O 3.35Å; L98-P117 HydrophobicContact CD2-CG 4.07Å; L98-L347 HydrophobicContact CD2-CD2 3.68Å
99S81.6Confident90.2Very high101 Ų10179.1 Ų79.171%0.70641%0.414SS*.THydrogen-bonded Turntrans-62.9-28.9-172.3-168.50000114.1K101 S102S99-K101 VanDerWaalsContact C-N 3.32Å; S99-S102 PolarHBondContact O-OG 2.95Å
100S82.4Confident90.2Very high98 Ų9882.1 Ų82.169%0.68543%0.433SS*.THydrogen-bonded Turntrans-81.2-13.8179.158.10000113.4L97 L98L97-S100 PolarHBondContact O-OG 3.36Å; L98-S100 VanDerWaalsContact C-N 3.27Å; L98-S100 PolarHBondContact O-N 2.91Å
101K85.2Confident90.1Very high119 Ų11982.9 Ų82.952%0.51744%0.44SS..SBendtrans-113.83.8-175.4-64.2-172.9177.2-172.90113.1L98 S99 W106 L347L98-K101 PolarHBondContact O-N 3.06Å; S99-K101 VanDerWaalsContact C-N 3.32Å; K101-W106 HydrophobicContact CB-CH2 4.16Å; K101-W106 WeakPolarHBondContact O-CZ2 3.4Å; K101-L347 HydrophobicContact CB-CD1 4.4Å; K101-L347 HydrophobicContact CD-CD1 3.49Å; K101-L347 VanDerWaalsContact CD-CD1 3.49Å
102S85.1Confident90Very high56 Ų5684.4 Ų84.439%0.39245%0.451SS..  trans-59.5140.1-174.257.70000112L98 S99 L115L98-S102 PolarHBondContact O-N 3.35Å; S99-S102 PolarHBondContact O-OG 2.95Å; S102-L115 VanDerWaalsContact CB-CD1 3.48Å
103R87.8Confident89.9Confident124 Ų12491 Ų9147%0.46848%0.481SS..  trans-122.2161.8176.6-56.5-175.8-175-178.84.8110.5D105 W106 S348R103-D105 WeakPolarHBondContact CB-OD1 3.35Å; R103-D105 PolarHBondContact O-N 3.22Å; R103-W106 HydrophobicContact CB-CG 4.47Å; R103-W106 VanDerWaalsContact O-CB 3.31Å; R103-W106 WeakPolarHBondContact O-CB 3.39Å; R103-W106 PolarHBondContact O-N 3Å; R103-W106 VanDerWaalsContact O-N 3.09Å; R103-S348 PolarHBondContact NH2-OG 2.73Å
104P85.9Confident89.7Confident141 Ų14192.2 Ų92.292%0.91649%0.488SS*.THydrogen-bonded Turntrans-62.2-25-175.4-24.435.1000114.9W106P104-W106 VanDerWaalsContact C-N 3.26Å; P104-W106 PolarHBondContact O-N 3.33Å
105D84.9Confident89.8Confident95 Ų9587.9 Ų87.951%0.50848%0.476SS..THydrogen-bonded Turntrans-81.9-1.2178.963.5-46.1000113.5R103 P118R103-D105 WeakPolarHBondContact CB-OD1 3.35Å; R103-D105 PolarHBondContact O-N 3.22Å; D105-P118 WeakPolarHBondContact OD2-CG 3.39Å
106W92.4Very high90Very high19 Ų1983.5 Ų83.57%0.07245%0.449CS..PPolyproline II helixtrans-75.9144.7179.3-70.328.8000110.8L98 K101 R103 P104 L115 P117 L347L98-W106 HydrophobicContact CB-CZ3 4Å; L98-W106 HydrophobicContact CD2-CH2 4.09Å; L98-W106 HydrophobicContact CD2-CZ3 4.08Å; L98-W106 HydrophobicContact CG-CZ3 4.49Å; K101-W106 HydrophobicContact CB-CH2 4.16Å; K101-W106 WeakPolarHBondContact O-CZ2 3.4Å; R103-W106 HydrophobicContact CB-CG 4.47Å; R103-W106 VanDerWaalsContact O-CB 3.31Å; R103-W106 WeakPolarHBondContact O-CB 3.39Å; R103-W106 PolarHBondContact O-N 3Å; R103-W106 VanDerWaalsContact O-N 3.09Å; P104-W106 VanDerWaalsContact C-N 3.26Å; P104-W106 PolarHBondContact O-N 3.33Å; W106-L115 HydrophobicContact CE3-CB 3.88Å; W106-P117 HydrophobicContact CD2-CB 4.3Å; W106-P117 HydrophobicContact CD2-CG 4.32Å; W106-P117 HydrophobicContact CE3-CG 4.1Å; W106-P117 HydrophobicContact CH2-CB 4.39Å; W106-P117 HydrophobicContact CH2-CG 3.78Å; W106-P117 HydrophobicContact CZ2-CB 4.07Å; W106-P117 HydrophobicContact CZ2-CG 3.96Å; W106-P117 HydrophobicContact CZ3-CG 3.84Å; W106-L347 HydrophobicContact CH2-CD2 4.37Å; W106-L347 HydrophobicContact CZ2-CB 4.09Å
107T91.9Very high90.2Very high63 Ų6380.1 Ų80.139%0.38743%0.431SS..EExtended strand (participates in β ladder)trans-101.2162.5177.952.80000110.1L115 R116T107-L115 CarbonylContact O-C 3.47Å; T107-R116 PolarHBondContact N-O 3Å; T107-R116 WeakPolarHBondContact O-CA 3.44Å; T107-R116 VanDerWaalsContact O-CB 3.31Å; T107-R116 WeakPolarHBondContact O-CB 3.26Å; T107-R116 PolarHBondContact O-N 3.13Å; T107-R116 PolarHBondContact OG1-NE 2.85Å; T107-R116 PolarHBondContact OG1-NH2 2.87Å
108Y92.7Very high90.4Very high122 Ų12273.5 Ų73.548%0.47840%0.398SS..EExtended strand (participates in β ladder)trans-101134.8176-169.4-98.1000111.1L110 Q113 L115Y108-L110 HydrophobicContact CD1-CD2 3.89Å; Y108-L110 HydrophobicContact CE1-CD2 3.95Å; Y108-Q113 VanDerWaalsContact OH-CA 3.22Å; Y108-Q113 WeakPolarHBondContact OH-CA 3.37Å; Y108-Q113 PolarHBondContact OH-O 3.1Å; Y108-L115 HydrophobicContact CD2-CD2 4Å; Y108-L115 HydrophobicContact CD2-CG 4.42Å
109C95.1Very high90.7Very high7 Ų773.6 Ų73.65%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-99.5113.3172.1-179.50000110.2T111 C112 Q113 T114 R116 C129C109-T111 PolarHBondContact O-N 2.92Å; C109-C112 HydrophobicContact CB-CB 4.15Å; C109-C112 PolarHBondContact SG-N 2.88Å; C109-C112 VanDerWaalsContact SG-N 3.4Å; C109-Q113 VanDerWaalsContact O-CA 3.28Å; C109-Q113 WeakPolarHBondContact O-CA 3.41Å; C109-Q113 PolarHBondContact O-N 3.38Å; C109-T114 PolarHBondContact N-O 3Å; C109-T114 PolarHBondContact O-N 2.76Å; C109-R116 HydrophobicContact CB-CB 4.47Å; C109-C129 PolarHBondContact SG-SG 3.26Å
110L95.3Very high91.3Very high145 Ų14568.8 Ų68.876%0.75936%0.364SS*.THydrogen-bonded Turntrans-64.3-37179.2-62.8173.2000113Y108 Q113Y108-L110 HydrophobicContact CD1-CD2 3.89Å; Y108-L110 HydrophobicContact CE1-CD2 3.95Å; L110-Q113 VanDerWaalsContact O-CG 3.3Å; L110-Q113 WeakPolarHBondContact O-CG 3.35Å; L110-Q113 PolarHBondContact O-N 3.49Å
111T93.7Very high91.9Very high96 Ų9665.6 Ų65.659%0.58934%0.338SS*.THydrogen-bonded Turntrans-72-41.3-179.1-44.20000112.5C109 Q113 H122C109-T111 PolarHBondContact O-N 2.92Å; T111-Q113 VanDerWaalsContact C-N 3.34Å; T111-H122 VanDerWaalsContact CG2-CE1 3.45Å; T111-H122 WeakPolarHBondContact CG2-CE1 3.44Å
112C94.5Very high92.4Very high37 Ų3760.7 Ų60.725%0.2532%0.317CS..THydrogen-bonded Turntrans-85-10176.2-680000113.1C109 T114 H122 C129C109-C112 HydrophobicContact CB-CB 4.15Å; C109-C112 PolarHBondContact SG-N 2.88Å; C109-C112 VanDerWaalsContact SG-N 3.4Å; C112-T114 HydrophobicContact CB-CG2 3.72Å; C112-T114 PolarHBondContact O-N 2.8Å; C112-H122 VanDerWaalsContact SG-CE1 3.51Å; C112-H122 PolarHBondContact SG-ND1 2.91Å; C112-C129 PolarHBondContact SG-N 3.4Å; C112-C129 VanDerWaalsContact SG-N 3.43Å
113Q95.1Very high92.9Very high150 Ų15058 Ų5870%0.70130%0.298SS*.THydrogen-bonded Turntrans50.941.4-175.5-58.5-17910.700113.5Y108 C109 L110 T111Y108-Q113 VanDerWaalsContact OH-CA 3.22Å; Y108-Q113 WeakPolarHBondContact OH-CA 3.37Å; Y108-Q113 PolarHBondContact OH-O 3.1Å; C109-Q113 VanDerWaalsContact O-CA 3.28Å; C109-Q113 WeakPolarHBondContact O-CA 3.41Å; C109-Q113 PolarHBondContact O-N 3.38Å; L110-Q113 VanDerWaalsContact O-CG 3.3Å; L110-Q113 WeakPolarHBondContact O-CG 3.35Å; L110-Q113 PolarHBondContact O-N 3.49Å; T111-Q113 VanDerWaalsContact C-N 3.34Å
114T93.4Very high93.1Very high39 Ų3959.8 Ų59.824%0.23931%0.31CS..EExtended strand (participates in β ladder)trans-146.4157.8-176.3-168.40000111.5I93 C109 C112I93-T114 HydrophobicContact CD1-CG2 3.48Å; I93-T114 VanDerWaalsContact CD1-CG2 3.48Å; C109-T114 PolarHBondContact N-O 3Å; C109-T114 PolarHBondContact O-N 2.76Å; C112-T114 HydrophobicContact CB-CG2 3.72Å; C112-T114 PolarHBondContact O-N 2.8Å
115L93.7Very high93.4Very high59 Ų5956.5 Ų56.531%0.30928%0.284SS..EExtended strand (participates in β ladder)trans-66.8141.2171.5-65.6169.4000109.6L98 S102 W106 T107 Y108L98-L115 VanDerWaalsContact CD1-O 3.23Å; L98-L115 WeakPolarHBondContact CD1-O 3.35Å; S102-L115 VanDerWaalsContact CB-CD1 3.48Å; W106-L115 HydrophobicContact CE3-CB 3.88Å; T107-L115 CarbonylContact O-C 3.47Å; Y108-L115 HydrophobicContact CD2-CD2 4Å; Y108-L115 HydrophobicContact CD2-CG 4.42Å
116R93.2Very high93.7Very high49 Ų4952.2 Ų52.219%0.18526%0.262CS..EExtended strand (participates in β ladder)trans-120115.2-171.4-175.5177.773.4179.60.8108.2T107 C109 A120T107-R116 PolarHBondContact N-O 3Å; T107-R116 WeakPolarHBondContact O-CA 3.44Å; T107-R116 VanDerWaalsContact O-CB 3.31Å; T107-R116 WeakPolarHBondContact O-CB 3.26Å; T107-R116 PolarHBondContact O-N 3.13Å; T107-R116 PolarHBondContact OG1-NE 2.85Å; T107-R116 PolarHBondContact OG1-NH2 2.87Å; C109-R116 HydrophobicContact CB-CB 4.47Å; R116-A120 WeakPolarHBondContact CD-O 3.31Å; R116-A120 HydrophobicContact CG-CB 3.67Å; R116-A120 WeakPolarHBondContact CG-O 3.37Å; R116-A120 PolarHBondContact NE-O 2.92Å; R116-A120 VanDerWaalsContact NE-O 3.09Å
117P94.4Very high93.8Very high0 Ų054.7 Ų54.70%029%0.286CS..  trans-56.4161.4175.7-22.631.3000112.3L98 W106 A120 L131 L347L98-P117 HydrophobicContact CD2-CG 4.07Å; W106-P117 HydrophobicContact CD2-CB 4.3Å; W106-P117 HydrophobicContact CD2-CG 4.32Å; W106-P117 HydrophobicContact CE3-CG 4.1Å; W106-P117 HydrophobicContact CH2-CB 4.39Å; W106-P117 HydrophobicContact CH2-CG 3.78Å; W106-P117 HydrophobicContact CZ2-CB 4.07Å; W106-P117 HydrophobicContact CZ2-CG 3.96Å; W106-P117 HydrophobicContact CZ3-CG 3.84Å; P117-A120 WeakPolarHBondContact O-CB 3.37Å; P117-A120 PolarHBondContact O-N 2.95Å; P117-L131 HydrophobicContact CB-CD2 4.47Å; P117-L131 HydrophobicContact CG-CD2 3.98Å; P117-L347 HydrophobicContact CB-CD2 4.24Å; P117-L347 HydrophobicContact CG-CD2 3.57Å
118P92.1Very high94Very high15 Ų1552.5 Ų52.510%0.09727%0.272CS..THydrogen-bonded Turntrans-52.8146172.9-25.234.7000111.4D105 A120 Y349D105-P118 WeakPolarHBondContact OD2-CG 3.39Å; P118-A120 PolarHBondContact O-N 2.9Å; P118-Y349 HydrophobicContact CB-CD2 4.48Å; P118-Y349 WeakPolarHBondContact O-CE2 3.5Å
119R93.4Very high94.3Very high10 Ų1046.7 Ų46.74%0.03825%0.249CC..THydrogen-bonded Turntrans62.6-2.8-178.9-42.4-178.671.3176.45.3115.6H121 R132 R133 N241 E246 Y313 Y349R119-H121 PolarHBondContact O-CD2 2.9Å; R119-R132 WeakPolarHBondContact O-CA 3.3Å; R119-R133 PolarHBondContact O-N 3.21Å; R119-R133 VanDerWaalsContact O-N 3.12Å; R119-N241 PolarHBondContact NH1-OD1 2.72Å; R119-N241 PolarHBondContact NH2-O 3.26Å; R119-E246 WeakPolarHBondContact CG-OE1 3.34Å; R119-E246 IonicContact CZ-OE1 3.61Å; R119-E246 IonicContact CZ-OE2 2.76Å; R119-E246 IonicContact NE-OE1 3.34Å; R119-E246 PolarHBondContact NE-OE1 2.9Å; R119-E246 IonicContact NE-OE2 3.51Å; R119-E246 IonicContact NH2-OE1 2.76Å; R119-E246 PolarHBondContact NH2-OE1 3.27Å; R119-E246 IonicContact NH2-OE2 3.51Å; R119-E246 PolarHBondContact NH2-OE2 3.04Å; R119-Y313 VanDerWaalsContact CD-CE2 3.46Å; R119-Y313 HydrophobicContact CG-CD2 4.14Å; R119-Y313 HydrophobicContact CG-CE1 4.2Å; R119-Y313 HydrophobicContact CG-CE2 3.42Å; R119-Y313 VanDerWaalsContact CG-CE2 3.42Å; R119-Y313 VanDerWaalsContact CG-CZ 3.45Å; R119-Y313 WeakPolarHBondContact CG-OH 3.34Å; R119-Y349 HydrophobicContact CB-CE2 4.09Å; R119-Y349 VanDerWaalsContact CD-CD2 3.49Å; R119-Y349 HydrophobicContact CG-CD2 3.93Å; R119-Y349 HydrophobicContact CG-CE2 3.99Å
120A95.2Very high94.4Very high1 Ų146.4 Ų46.41%0.00825%0.247CC..  trans-82.4140.1171.800000110R116 P117 P118 V130 L131R116-A120 WeakPolarHBondContact CD-O 3.31Å; R116-A120 HydrophobicContact CG-CB 3.67Å; R116-A120 WeakPolarHBondContact CG-O 3.37Å; R116-A120 PolarHBondContact NE-O 2.92Å; R116-A120 VanDerWaalsContact NE-O 3.09Å; P117-A120 WeakPolarHBondContact O-CB 3.37Å; P117-A120 PolarHBondContact O-N 2.95Å; P118-A120 PolarHBondContact O-N 2.9Å; A120-V130 WeakPolarHBondContact CA-O 3.43Å; A120-V130 WeakPolarHBondContact CB-O 3.44Å; A120-L131 HydrophobicContact CB-CD2 4.17Å
121H95.2Very high94.5Very high30 Ų3040 Ų4014%0.13921%0.214CC..EExtended strand (participates in β ladder)trans-140146.2-180-66.5-80.3000110.9R119 C123 C129 V130 R133 Y245R119-H121 PolarHBondContact O-CD2 2.9Å; H121-C123 PolarHBondContact O-N 2.71Å; H121-C129 WeakPolarHBondContact O-CA 3.14Å; H121-V130 PolarHBondContact N-O 3.47Å; H121-V130 PolarHBondContact O-N 3.04Å; H121-R133 HydrophobicContact CB-CB 4.09Å; H121-Y245 HydrophobicContact CB-CD2 4.44Å; H121-Y245 HydrophobicContact CB-CE1 4.2Å; H121-Y245 HydrophobicContact CB-CE2 3.99Å; H121-Y245 AromaticContact CD2-CD1 3.44Å; H121-Y245 VanDerWaalsContact CD2-CD1 3.44Å; H121-Y245 WeakPolarHBondContact CD2-CD1 3.29Å; H121-Y245 AromaticContact CD2-CE1 3.44Å; H121-Y245 VanDerWaalsContact CD2-CE1 3.44Å; H121-Y245 WeakPolarHBondContact CD2-CE1 3.49Å; H121-Y245 AromaticContact CE1-CD1 3.89Å; H121-Y245 AromaticContact CE1-CE1 3.22Å; H121-Y245 WeakPolarHBondContact CE1-CE1 3.36Å; H121-Y245 AromaticContact CE1-CZ 3.87Å; H121-Y245 AromaticContact CG-CD1 3.78Å; H121-Y245 AromaticContact CG-CE1 3.35Å; H121-Y245 AromaticContact CG-CZ 3.46Å; H121-Y245 VanDerWaalsContact CG-CZ 3.46Å; H121-Y245 AromaticContact ND1-CE1 3.19Å; H121-Y245 WeakPolarHBondContact ND1-CE1 3.37Å; H121-Y245 AromaticContact ND1-CZ 3.35Å; H121-Y245 VanDerWaalsContact ND1-CZ 3.35Å; H121-Y245 PolarHBondContact ND1-OH 3.2Å; H121-Y245 AromaticContact NE2-CD1 3.54Å; H121-Y245 AromaticContact NE2-CE1 3.37Å; H121-Y245 WeakPolarHBondContact NE2-CE1 3.45Å
122H95.2Very high94.6Very high16 Ų1635.4 Ų35.47%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-70.2127.6175.8-169.391.2000109.4T111 C112 F124 A127 I128 R133T111-H122 VanDerWaalsContact CG2-CE1 3.45Å; T111-H122 WeakPolarHBondContact CG2-CE1 3.44Å; C112-H122 VanDerWaalsContact SG-CE1 3.51Å; C112-H122 PolarHBondContact SG-ND1 2.91Å; H122-F124 AromaticContact CD2-CD1 3.93Å; H122-A127 VanDerWaalsContact CE1-C 3.44Å; H122-I128 PolarHBondContact CE1-N 2.87Å; H122-R133 PolarHBondContact O-NH1 3.36Å; H122-R133 VanDerWaalsContact O-NH1 3.14Å
123C95.4Very high94.7Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-100.8119.5169.8171.90000109H121 C126 A127 I128 V130 C143H121-C123 PolarHBondContact O-N 2.71Å; C123-C126 HydrophobicContact CB-CB 3.89Å; C123-C126 CarbonylContact O-C 3.55Å; C123-C126 PolarHBondContact O-N 3.12Å; C123-C126 VanDerWaalsContact O-N 3.15Å; C123-C126 PolarHBondContact SG-N 3.37Å; C123-A127 WeakPolarHBondContact O-CA 3.44Å; C123-A127 PolarHBondContact O-N 3.1Å; C123-I128 PolarHBondContact N-O 3.03Å; C123-I128 PolarHBondContact O-N 3.26Å; C123-V130 HydrophobicContact CB-CG2 4.41Å; C123-C143 WeakPolarHBondContact CB-SG 3.49Å; C123-C143 PolarHBondContact SG-SG 2.87Å
124F92.4Very high94.7Very high162 Ų16228.2 Ų28.271%0.71115%0.147SC*.THydrogen-bonded Turntrans-66.2-39.6-179.8-61.7-76.4000112.5H122 C126 A127H122-F124 AromaticContact CD2-CD1 3.93Å; F124-C126 PolarHBondContact O-N 3.21Å; F124-A127 PolarHBondContact O-N 3.4Å
125D91.1Very high94.8Very high71 Ų7127.9 Ų27.938%0.3814%0.143SC..THydrogen-bonded Turntrans-60.5-35.4172.4-63.7-77.9000111.9R30 R33R30-D125 WeakPolarHBondContact CD-O 3.48Å; R30-D125 PolarHBondContact NE-O 3.47Å; R30-D125 VanDerWaalsContact NE-O 3.1Å; R33-D125 IonicContact NH2-OD1 2.88Å
126C93.1Very high94.8Very high5 Ų526.2 Ų26.23%0.03413%0.133CC..THydrogen-bonded Turntrans-90.6-10.3-179.9-67.80000115.1R30 C123 F124 I128 H136 C143R30-C126 PolarHBondContact NH1-O 2.94Å; R30-C126 VanDerWaalsContact NH2-CA 3.29Å; R30-C126 VanDerWaalsContact NH2-CB 3.26Å; R30-C126 PolarHBondContact NH2-SG 3.31Å; C123-C126 HydrophobicContact CB-CB 3.89Å; C123-C126 CarbonylContact O-C 3.55Å; C123-C126 PolarHBondContact O-N 3.12Å; C123-C126 VanDerWaalsContact O-N 3.15Å; C123-C126 PolarHBondContact SG-N 3.37Å; F124-C126 PolarHBondContact O-N 3.21Å; C126-I128 HydrophobicContact CB-CG2 3.93Å; C126-I128 PolarHBondContact O-N 2.96Å; C126-I128 VanDerWaalsContact O-N 3.12Å; C126-H136 PolarHBondContact SG-CE1 3.46Å; C126-H136 PolarHBondContact SG-ND1 2.8Å; C126-C143 PolarHBondContact SG-SG 2.99Å
127A94.4Very high95Very high71 Ų7124.5 Ų24.559%0.58713%0.128SC*.THydrogen-bonded Turntrans45.535-171.600000113.7H122 C123 F124H122-A127 VanDerWaalsContact CE1-C 3.44Å; C123-A127 WeakPolarHBondContact O-CA 3.44Å; C123-A127 PolarHBondContact O-N 3.1Å; F124-A127 PolarHBondContact O-N 3.4Å
128I96.2Very high94.9Very high17 Ų1729.1 Ų29.19%0.08716%0.157CC..EExtended strand (participates in β ladder)trans-155152.3-178.4-163.8161.5000111.5I93 R94 H122 C123 C126I93-I128 HydrophobicContact CG1-CD1 4.27Å; I93-I128 HydrophobicContact CG1-CG1 3.9Å; R94-I128 HydrophobicContact CB-CD1 3.7Å; R94-I128 HydrophobicContact CG-CD1 4.44Å; H122-I128 PolarHBondContact CE1-N 2.87Å; C123-I128 PolarHBondContact N-O 3.03Å; C123-I128 PolarHBondContact O-N 3.26Å; C126-I128 HydrophobicContact CB-CG2 3.93Å; C126-I128 PolarHBondContact O-N 2.96Å; C126-I128 VanDerWaalsContact O-N 3.12Å
129C97.3Very high95Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-70.7139168.4-68.70000111.3S92 I93 C109 C112 H121S92-C129 WeakPolarHBondContact CA-O 3.41Å; I93-C129 HydrophobicContact CD1-CB 3.76Å; I93-C129 HydrophobicContact CG1-CB 3.95Å; I93-C129 HydrophobicContact CG2-CB 4.15Å; I93-C129 PolarHBondContact N-O 3.32Å; C109-C129 PolarHBondContact SG-SG 3.26Å; C112-C129 PolarHBondContact SG-N 3.4Å; C112-C129 VanDerWaalsContact SG-N 3.43Å; H121-C129 WeakPolarHBondContact O-CA 3.14Å
130V97.9Very high95.1Very high1 Ų132.9 Ų32.91%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-117.5130.6179.9176.10000108.8P91 A120 H121 C123 R133 C143P91-V130 HydrophobicContact CB-CG1 3.92Å; P91-V130 HydrophobicContact CG-CG1 3.82Å; A120-V130 WeakPolarHBondContact CA-O 3.43Å; A120-V130 WeakPolarHBondContact CB-O 3.44Å; H121-V130 PolarHBondContact N-O 3.47Å; H121-V130 PolarHBondContact O-N 3.04Å; C123-V130 HydrophobicContact CB-CG2 4.41Å; V130-R133 HydrophobicContact CB-CB 3.99Å; V130-R133 HydrophobicContact CB-CG 4.08Å; V130-R133 HydrophobicContact CG1-CB 4.13Å; V130-R133 HydrophobicContact CG1-CG 4.27Å; V130-C143 HydrophobicContact CB-CB 4.4Å; V130-C143 HydrophobicContact CG1-CB 4.03Å; V130-C143 HydrophobicContact CG2-CB 3.67Å
131L97.5Very high95.1Very high11 Ų1132.9 Ų32.96%0.05818%0.176CC..THydrogen-bonded Turntrans-70137.4177.9-63.3-176.4000110.6P91 I93 L96 P117 A120 R133 G145 H146 L347P91-L131 PolarHBondContact O-N 3.12Å; I93-L131 HydrophobicContact CG2-CD2 3.69Å; I93-L131 HydrophobicContact CG2-CG 4.14Å; L96-L131 HydrophobicContact CD1-CD1 3.53Å; L96-L131 HydrophobicContact CD1-CG 4.3Å; P117-L131 HydrophobicContact CB-CD2 4.47Å; P117-L131 HydrophobicContact CG-CD2 3.98Å; A120-L131 HydrophobicContact CB-CD2 4.17Å; L131-R133 VanDerWaalsContact C-N 3.26Å; L131-R133 PolarHBondContact O-N 3.46Å; L131-G145 WeakPolarHBondContact O-CA 3.38Å; L131-H146 HydrophobicContact CB-CB 3.84Å; L131-H146 PolarHBondContact O-N 2.91Å; L131-L347 HydrophobicContact CD1-CD2 4.4Å; L131-L347 HydrophobicContact CD2-CD2 4.1Å
132R95.9Very high95.1Very high0 Ų032.2 Ų32.20%017%0.173CC..THydrogen-bonded Turntrans3561.3-169-169.9175.562.8-167.6-4.3111R119 D134 G145 H146 T243 Q323 Y349R119-R132 WeakPolarHBondContact O-CA 3.3Å; R132-D134 PolarHBondContact O-N 3.18Å; R132-G145 WeakPolarHBondContact O-CA 3.27Å; R132-H146 HydrophobicContact CB-CB 3.93Å; R132-H146 PolarHBondContact NH2-O 3.4Å; R132-T243 HydrophobicContact CG-CG2 3.57Å; R132-Q323 VanDerWaalsContact NH1-C 3.26Å; R132-Q323 PolarHBondContact NH1-O 2.69Å; R132-Q323 PolarHBondContact NH2-O 3.41Å; R132-Q323 VanDerWaalsContact NH2-O 3.1Å; R132-Y349 HydrophobicContact CB-CE1 4.41Å; R132-Y349 WeakPolarHBondContact CB-OH 3.29Å
133R95.9Very high95.2Very high34 Ų3431.6 Ų31.613%0.12817%0.171CC..  trans-64.2126.1-173.8-176.6-173.5167.5-146.9-7.3109R119 H121 H122 V130 L131 T243R119-R133 PolarHBondContact O-N 3.21Å; R119-R133 VanDerWaalsContact O-N 3.12Å; H121-R133 HydrophobicContact CB-CB 4.09Å; H122-R133 PolarHBondContact O-NH1 3.36Å; H122-R133 VanDerWaalsContact O-NH1 3.14Å; V130-R133 HydrophobicContact CB-CB 3.99Å; V130-R133 HydrophobicContact CB-CG 4.08Å; V130-R133 HydrophobicContact CG1-CB 4.13Å; V130-R133 HydrophobicContact CG1-CG 4.27Å; L131-R133 VanDerWaalsContact C-N 3.26Å; L131-R133 PolarHBondContact O-N 3.46Å; R133-T243 WeakPolarHBondContact O-CB 3.36Å; R133-T243 PolarHBondContact O-OG1 3.08Å; R133-T243 VanDerWaalsContact O-OG1 3.08Å
134D95.9Very high95.3Very high2 Ų231.6 Ų31.61%0.01117%0.171CC..  trans-94.9-70.7173.2-169.269.7000110.8R132 I144 T243 M244 Y245R132-D134 PolarHBondContact O-N 3.18Å; D134-I144 HydrophobicContact CB-CB 4.42Å; D134-I144 HydrophobicContact CB-CG2 4.47Å; D134-I144 PolarHBondContact N-O 3.26Å; D134-T243 WeakPolarHBondContact OD1-CA 3.4Å; D134-T243 WeakPolarHBondContact OD1-CB 3.35Å; D134-M244 PolarHBondContact OD1-N 3.26Å; D134-M244 WeakPolarHBondContact OD2-CG 3.5Å; D134-Y245 WeakPolarHBondContact O-CB 3.34Å; D134-Y245 PolarHBondContact O-N 3.3Å
135H95.1Very high95.6Very high32 Ų3223.9 Ų23.915%0.14814%0.137CC..EExtended strand (participates in β ladder)trans-154.1176.317366.5-81.2000111.4C137 C143 I144 F152 M244H135-C137 PolarHBondContact CD2-N 3.34Å; H135-C143 WeakPolarHBondContact O-CA 3.47Å; H135-I144 PolarHBondContact O-N 3.3Å; H135-F152 AromaticContact CE1-CE1 3.75Å; H135-F152 AromaticContact CE1-CZ 3.5Å; H135-F152 AromaticContact NE2-CZ 3.81Å; H135-M244 HydrophobicContact CB-SD 4.17Å; H135-M244 PolarHBondContact ND1-SD 3.05Å; H135-M244 VanDerWaalsContact ND1-SD 3.42Å
136H95.1Very high95.9Very high24 Ų2421.2 Ų21.211%0.11112%0.122CC..EExtended strand (participates in β ladder)trans-96.6110.3164.8-175.493.3000108.2C126 T138C126-H136 PolarHBondContact SG-CE1 3.46Å; C126-H136 PolarHBondContact SG-ND1 2.8Å; H136-T138 PolarHBondContact O-N 3.31Å
137C95.9Very high96Very high12 Ų1222.8 Ų22.88%0.08114%0.135CC..EExtended strand (participates in β ladder)trans-76.7111.9179.4-177.90000109.2H135 I139 L140 G141 Q142 I144H135-C137 PolarHBondContact CD2-N 3.34Å; C137-I139 VanDerWaalsContact C-N 3.27Å; C137-I139 PolarHBondContact O-N 2.97Å; C137-L140 HydrophobicContact CB-CB 4.18Å; C137-L140 PolarHBondContact O-N 3.13Å; C137-L140 PolarHBondContact SG-N 2.94Å; C137-G141 WeakPolarHBondContact O-CA 3.08Å; C137-G141 PolarHBondContact O-N 3.11Å; C137-Q142 PolarHBondContact N-O 2.77Å; C137-Q142 PolarHBondContact O-N 3.29Å; C137-I144 HydrophobicContact CB-CD1 4.12Å; C137-I144 HydrophobicContact CB-CG1 3.92Å
138T93Very high96.2Very high98 Ų9819.4 Ų19.460%0.60111%0.107SC*.THydrogen-bonded Turntrans-67.7-28179.151.50000112.6V37 H136V37-T138 WeakPolarHBondContact CB-O 3.42Å; V37-T138 WeakPolarHBondContact CG2-O 3.33Å; H136-T138 PolarHBondContact O-N 3.31Å
139I93.8Very high96.2Very high101 Ų10118.6 Ų18.652%0.51810%0.103SC..THydrogen-bonded Turntrans-73.7-39.9178.6-55.5-56.6000111.4L41 C137L41-I139 HydrophobicContact CD1-CG2 4.08Å; L41-I139 HydrophobicContact CD2-CG2 4.11Å; C137-I139 VanDerWaalsContact C-N 3.27Å; C137-I139 PolarHBondContact O-N 2.97Å
140L95.8Very high96.1Very high3 Ų319.2 Ų19.22%0.01611%0.105CC..THydrogen-bonded Turntrans-89.6-11.5178.3-63177.1000113.2R38 L41 V83 I87 C137 Q142 I144 F152R38-L140 PolarHBondContact NE-O 3.26Å; R38-L140 PolarHBondContact NH2-O 2.88Å; L41-L140 HydrophobicContact CD2-CD2 4.05Å; V83-L140 HydrophobicContact CG1-CD2 3.91Å; V83-L140 HydrophobicContact CG2-CD2 4.37Å; I87-L140 HydrophobicContact CD1-CD2 4.49Å; C137-L140 HydrophobicContact CB-CB 4.18Å; C137-L140 PolarHBondContact O-N 3.13Å; C137-L140 PolarHBondContact SG-N 2.94Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 HydrophobicContact CB-CG 3.89Å; L140-Q142 PolarHBondContact O-N 2.92Å; L140-I144 HydrophobicContact CD1-CD1 4.14Å; L140-F152 HydrophobicContact CD1-CD2 3.94Å; L140-F152 HydrophobicContact CD1-CE2 4.34Å
141G95Very high96.1Very high1 Ų120.9 Ų20.91%0.0111%0.112CC..THydrogen-bonded Turntrans6335.6-177.400000113N34 C137N34-G141 PolarHBondContact ND2-O 3.42Å; N34-G141 PolarHBondContact OD1-O 3.38Å; C137-G141 WeakPolarHBondContact O-CA 3.08Å; C137-G141 PolarHBondContact O-N 3.11Å
142Q95.1Very high96.1Very high16 Ų1620.7 Ų20.78%0.07511%0.11CC..EExtended strand (participates in β ladder)trans-156.7165.2-178.463.1169.1-10.100112.5C86 C137 L140C86-Q142 PolarHBondContact O-NE2 3.2Å; C86-Q142 PolarHBondContact O-OE1 3.24Å; C86-Q142 PolarHBondContact SG-NE2 2.96Å; C137-Q142 PolarHBondContact N-O 2.77Å; C137-Q142 PolarHBondContact O-N 3.29Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 HydrophobicContact CB-CG 3.89Å; L140-Q142 PolarHBondContact O-N 2.92Å
143C97.6Very high96.1Very high3 Ų321.5 Ų21.52%0.0212%0.116CC..EExtended strand (participates in β ladder)trans-76.4144.8170.3-790000112.6P91 C123 C126 V130 H135 N148P91-C143 HydrophobicContact CG-CB 4.42Å; P91-C143 WeakPolarHBondContact CG-O 3.21Å; C123-C143 WeakPolarHBondContact CB-SG 3.49Å; C123-C143 PolarHBondContact SG-SG 2.87Å; C126-C143 PolarHBondContact SG-SG 2.99Å; V130-C143 HydrophobicContact CB-CB 4.4Å; V130-C143 HydrophobicContact CG1-CB 4.03Å; V130-C143 HydrophobicContact CG2-CB 3.67Å; H135-C143 WeakPolarHBondContact O-CA 3.47Å; C143-N148 PolarHBondContact O-ND2 2.92Å
144I98.2Very high96.2Very high0 Ų019.9 Ų19.90%011%0.11CC..EExtended strand (participates in β ladder)trans-99.9132.3166-49.6-53.1000107.6D134 H135 C137 L140 N148 W149 F152D134-I144 HydrophobicContact CB-CB 4.42Å; D134-I144 HydrophobicContact CB-CG2 4.47Å; D134-I144 PolarHBondContact N-O 3.26Å; H135-I144 PolarHBondContact O-N 3.3Å; C137-I144 HydrophobicContact CB-CD1 4.12Å; C137-I144 HydrophobicContact CB-CG1 3.92Å; L140-I144 HydrophobicContact CD1-CD1 4.14Å; I144-N148 WeakPolarHBondContact CA-OD1 3.42Å; I144-W149 HydrophobicContact CG2-CB 4.29Å; I144-W149 HydrophobicContact CG2-CG 4.16Å; I144-F152 HydrophobicContact CD1-CB 4.14Å; I144-F152 HydrophobicContact CD1-CD2 3.66Å; I144-F152 HydrophobicContact CD1-CE2 4.26Å; I144-F152 HydrophobicContact CD1-CG 4Å; I144-F152 HydrophobicContact CG1-CB 4.5Å; I144-F152 HydrophobicContact CG1-CD1 4.44Å; I144-F152 HydrophobicContact CG1-CD2 3.83Å; I144-F152 HydrophobicContact CG1-CE2 4.08Å; I144-F152 HydrophobicContact CG1-CG 4.01Å; I144-F152 HydrophobicContact CG1-CZ 4.46Å; I144-F152 HydrophobicContact CG2-CB 3.83Å; I144-F152 HydrophobicContact CG2-CD1 3.92Å; I144-F152 HydrophobicContact CG2-CG 3.85Å
145G97.6Very high96.3Very high0 Ų020.3 Ų20.30%011%0.113CC..  trans-167.4-163-178.900000112.4L131 R132 A147 N148 W149L131-G145 WeakPolarHBondContact O-CA 3.38Å; R132-G145 WeakPolarHBondContact O-CA 3.27Å; G145-A147 VanDerWaalsContact C-N 3.33Å; G145-A147 PolarHBondContact O-N 2.86Å; G145-A147 VanDerWaalsContact O-N 3.08Å; G145-N148 PolarHBondContact N-OD1 3.43Å; G145-N148 PolarHBondContact O-N 3.38Å; G145-N148 PolarHBondContact O-OD1 3.22Å; G145-N148 VanDerWaalsContact O-OD1 3.13Å; G145-W149 VanDerWaalsContact O-CB 3.3Å; G145-W149 WeakPolarHBondContact O-CB 3.39Å; G145-W149 PolarHBondContact O-N 3Å
146H97.3Very high96.4Very high15 Ų1519.5 Ų19.57%0.06911%0.109CC..THydrogen-bonded Turntrans-42.3-52.4-168.6179.6-97.2000114.7L131 R132 L342 T344 G346L131-H146 HydrophobicContact CB-CB 3.84Å; L131-H146 PolarHBondContact O-N 2.91Å; R132-H146 HydrophobicContact CB-CB 3.93Å; R132-H146 PolarHBondContact NH2-O 3.4Å; H146-L342 VanDerWaalsContact CE1-CD1 3.47Å; H146-L342 WeakPolarHBondContact CE1-CD1 3.45Å; H146-L342 WeakPolarHBondContact O-CD1 3.47Å; H146-T344 PolarHBondContact CE1-O 3.45Å; H146-T344 PolarHBondContact NE2-O 3.26Å; H146-T344 PolarHBondContact NE2-OG1 3.05Å; H146-T344 VanDerWaalsContact NE2-OG1 3.1Å; H146-G346 PolarHBondContact CE1-N 3.42Å; H146-G346 PolarHBondContact NE2-N 2.91Å
147A96.3Very high96.6Very high37 Ų3720.4 Ų20.431%0.30612%0.115SC..THydrogen-bonded Turntrans-79.6-22.8-171.200000115.6P91 G145P91-A147 HydrophobicContact CB-CB 4.32Å; G145-A147 VanDerWaalsContact C-N 3.33Å; G145-A147 PolarHBondContact O-N 2.86Å; G145-A147 VanDerWaalsContact O-N 3.08Å
148N97Very high96.7Very high0 Ų020.4 Ų20.40%011%0.113CC..THydrogen-bonded Turntrans-121.3-3.4-172.469.7-6.7000115.1C86 K89 C143 I144 G145 R150 Y151 F152C86-N148 PolarHBondContact O-ND2 3.1Å; K89-N148 HydrophobicContact CB-CB 3.82Å; K89-N148 VanDerWaalsContact O-CB 3.29Å; K89-N148 WeakPolarHBondContact O-CB 3.13Å; K89-N148 PolarHBondContact O-ND2 3.38Å; C143-N148 PolarHBondContact O-ND2 2.92Å; I144-N148 WeakPolarHBondContact CA-OD1 3.42Å; G145-N148 PolarHBondContact N-OD1 3.43Å; G145-N148 PolarHBondContact O-N 3.38Å; G145-N148 PolarHBondContact O-OD1 3.22Å; G145-N148 VanDerWaalsContact O-OD1 3.13Å; N148-R150 VanDerWaalsContact C-N 3.27Å; N148-R150 PolarHBondContact O-N 3.24Å; N148-Y151 PolarHBondContact O-N 2.78Å; N148-Y151 VanDerWaalsContact O-N 3.1Å; N148-F152 PolarHBondContact O-N 2.72Å
149W96.6Very high96.9Very high1 Ų116.1 Ų16.10%0.0049%0.089CC..Hα-helixtrans-56.2-39.8-177.6-160.998.5000112.7I144 G145 Y151 F152 C153 M238 Y324 L325I144-W149 HydrophobicContact CG2-CB 4.29Å; I144-W149 HydrophobicContact CG2-CG 4.16Å; G145-W149 VanDerWaalsContact O-CB 3.3Å; G145-W149 WeakPolarHBondContact O-CB 3.39Å; G145-W149 PolarHBondContact O-N 3Å; W149-Y151 PolarHBondContact O-N 3.5Å; W149-F152 VanDerWaalsContact O-CB 3.29Å; W149-F152 WeakPolarHBondContact O-CB 3.47Å; W149-F152 PolarHBondContact O-N 3.26Å; W149-C153 WeakPolarHBondContact CH2-SG 3.46Å; W149-C153 HydrophobicContact CZ3-CB 4.21Å; W149-C153 WeakPolarHBondContact CZ3-SG 3.36Å; W149-C153 PolarHBondContact O-N 2.99Å; W149-M238 HydrophobicContact CH2-CE 3.79Å; W149-M238 HydrophobicContact CH2-CG 3.06Å; W149-M238 HydrophobicContact CH2-SD 3.17Å; W149-M238 WeakPolarHBondContact CH2-SD 3.35Å; W149-M238 HydrophobicContact CZ2-CG 3.75Å; W149-M238 HydrophobicContact CZ2-SD 4.36Å; W149-M238 HydrophobicContact CZ3-CE 4.23Å; W149-M238 HydrophobicContact CZ3-CG 3.64Å; W149-M238 HydrophobicContact CZ3-SD 3.24Å; W149-M238 WeakPolarHBondContact CZ3-SD 3.46Å; W149-Y324 HydrophobicContact CB-CD1 4.38Å; W149-Y324 AromaticContact CD1-CE1 3.99Å; W149-Y324 AromaticContact CD2-CD1 3.27Å; W149-Y324 HydrophobicContact CD2-CD1 3.27Å; W149-Y324 AromaticContact CD2-CE1 3.91Å; W149-Y324 HydrophobicContact CD2-CE1 3.91Å; W149-Y324 HydrophobicContact CD2-CG 4.15Å; W149-Y324 AromaticContact CE2-CD1 3.52Å; W149-Y324 AromaticContact CE2-CE1 3.73Å; W149-Y324 AromaticContact CE3-CD1 3.47Å; W149-Y324 HydrophobicContact CE3-CD1 3.47Å; W149-Y324 VanDerWaalsContact CE3-CD1 3.47Å; W149-Y324 HydrophobicContact CE3-CE1 4.47Å; W149-Y324 AromaticContact CE3-CG 3.89Å; W149-Y324 HydrophobicContact CE3-CG 3.89Å; W149-Y324 AromaticContact CG-CD1 3.67Å; W149-Y324 HydrophobicContact CG-CD1 3.67Å; W149-Y324 HydrophobicContact CG-CE1 4.1Å; W149-Y324 HydrophobicContact CH2-CD1 4.19Å; W149-Y324 HydrophobicContact CH2-CG 4.36Å; W149-Y324 HydrophobicContact CZ2-CD1 4Å; W149-Y324 HydrophobicContact CZ2-CE1 4.24Å; W149-Y324 AromaticContact CZ3-CD1 3.9Å; W149-Y324 HydrophobicContact CZ3-CD1 3.9Å; W149-Y324 AromaticContact CZ3-CG 3.97Å; W149-Y324 HydrophobicContact CZ3-CG 3.97Å; W149-Y324 AromaticContact NE1-CD1 3.96Å; W149-Y324 AromaticContact NE1-CE1 3.79Å; W149-L325 HydrophobicContact CE3-CD2 4.46Å; W149-L325 HydrophobicContact CZ3-CD2 4.17Å; W149-L325 HydrophobicContact CZ3-CG 4.4Å
150R96.1Very high97.2Very high13 Ų1312.7 Ų12.75%0.0497%0.071CC..Hα-helixtrans-55-51.5174.7174.6-175.5165.1-169.8-2112.6N148 F152 C153 N154 L325 A332 C335 I338N148-R150 VanDerWaalsContact C-N 3.27Å; N148-R150 PolarHBondContact O-N 3.24Å; R150-F152 PolarHBondContact O-N 3.14Å; R150-C153 WeakPolarHBondContact O-CA 3.35Å; R150-C153 WeakPolarHBondContact O-CB 3.39Å; R150-C153 PolarHBondContact O-N 3.04Å; R150-N154 PolarHBondContact O-N 2.92Å; R150-N154 PolarHBondContact O-OD1 3.27Å; R150-L325 HydrophobicContact CB-CD2 4.12Å; R150-L325 HydrophobicContact CG-CD2 3.93Å; R150-A332 PolarHBondContact NE-O 3.27Å; R150-A332 PolarHBondContact NH2-O 2.8Å; R150-C335 PolarHBondContact NH2-O 3.01Å; R150-I338 PolarHBondContact NH1-O 3.46Å; R150-I338 PolarHBondContact NH2-O 3.32Å
151Y97.3Very high97.3Very high36 Ų3616.2 Ų16.214%0.1419%0.09CC..Hα-helixtrans-68.7-27.2-178.2-55.3-68.1000111.9L85 K89 N148 W149 N154 T155 P336L85-Y151 HydrophobicContact CB-CD1 3.57Å; L85-Y151 HydrophobicContact CB-CD2 4.34Å; L85-Y151 HydrophobicContact CB-CE1 3.87Å; L85-Y151 HydrophobicContact CB-CG 3.81Å; L85-Y151 HydrophobicContact CD1-CD1 3.99Å; L85-Y151 HydrophobicContact CD1-CE1 3.84Å; L85-Y151 HydrophobicContact CG-CD1 4.39Å; L85-Y151 HydrophobicContact CG-CE1 4.34Å; K89-Y151 HydrophobicContact CD-CE2 4.48Å; K89-Y151 HydrophobicContact CG-CD2 4.08Å; K89-Y151 HydrophobicContact CG-CE2 3.7Å; N148-Y151 PolarHBondContact O-N 2.78Å; N148-Y151 VanDerWaalsContact O-N 3.1Å; W149-Y151 PolarHBondContact O-N 3.5Å; Y151-N154 PolarHBondContact O-N 3.34Å; Y151-T155 WeakPolarHBondContact O-CB 3.32Å; Y151-T155 PolarHBondContact O-N 3.44Å; Y151-T155 PolarHBondContact O-OG1 3.01Å; Y151-P336 HydrophobicContact CD1-CB 4.48Å; Y151-P336 WeakPolarHBondContact CE1-O 3.5Å
152F97.6Very high97.4Very high6 Ų616.6 Ų16.63%0.0269%0.093CC..Hα-helixtrans-62.3-45.2168.1-179.3-110.1000111H135 L140 I144 N148 W149 R150 N154 T155 L156 F230H135-F152 AromaticContact CE1-CE1 3.75Å; H135-F152 AromaticContact CE1-CZ 3.5Å; H135-F152 AromaticContact NE2-CZ 3.81Å; L140-F152 HydrophobicContact CD1-CD2 3.94Å; L140-F152 HydrophobicContact CD1-CE2 4.34Å; I144-F152 HydrophobicContact CD1-CB 4.14Å; I144-F152 HydrophobicContact CD1-CD2 3.66Å; I144-F152 HydrophobicContact CD1-CE2 4.26Å; I144-F152 HydrophobicContact CD1-CG 4Å; I144-F152 HydrophobicContact CG1-CB 4.5Å; I144-F152 HydrophobicContact CG1-CD1 4.44Å; I144-F152 HydrophobicContact CG1-CD2 3.83Å; I144-F152 HydrophobicContact CG1-CE2 4.08Å; I144-F152 HydrophobicContact CG1-CG 4.01Å; I144-F152 HydrophobicContact CG1-CZ 4.46Å; I144-F152 HydrophobicContact CG2-CB 3.83Å; I144-F152 HydrophobicContact CG2-CD1 3.92Å; I144-F152 HydrophobicContact CG2-CG 3.85Å; N148-F152 PolarHBondContact O-N 2.72Å; W149-F152 VanDerWaalsContact O-CB 3.29Å; W149-F152 WeakPolarHBondContact O-CB 3.47Å; W149-F152 PolarHBondContact O-N 3.26Å; R150-F152 PolarHBondContact O-N 3.14Å; F152-N154 PolarHBondContact O-N 3.42Å; F152-T155 WeakPolarHBondContact O-CA 3.42Å; F152-T155 VanDerWaalsContact O-CB 3.27Å; F152-T155 WeakPolarHBondContact O-CB 3.07Å; F152-T155 PolarHBondContact O-N 3.18Å; F152-T155 VanDerWaalsContact O-N 3.1Å; F152-L156 HydrophobicContact CD1-CD1 4.16Å; F152-L156 HydrophobicContact CD1-CG 4.49Å; F152-L156 HydrophobicContact CE1-CD1 3.71Å; F152-L156 HydrophobicContact CE1-CG 4.22Å; F152-L156 HydrophobicContact CE2-CD2 4.34Å; F152-L156 HydrophobicContact CZ-CD1 4.11Å; F152-L156 HydrophobicContact CZ-CD2 4.13Å; F152-L156 HydrophobicContact CZ-CG 4.27Å; F152-L156 WeakPolarHBondContact O-CG 3.42Å; F152-L156 PolarHBondContact O-N 3.45Å; F152-F230 AromaticContact CE1-CE1 3.96Å; F152-F230 HydrophobicContact CE1-CE1 3.96Å; F152-F230 HydrophobicContact CE1-CZ 4.19Å; F152-F230 AromaticContact CZ-CE1 3.67Å; F152-F230 HydrophobicContact CZ-CE1 3.67Å; F152-F230 HydrophobicContact CZ-CZ 4.02Å
153C96.9Very high97.6Very high17 Ų1716.5 Ų16.512%0.1159%0.094CC..Hα-helixtrans-60.6-42.9172.6-81.90000114W149 R150 T155 L156 L157 L325W149-C153 WeakPolarHBondContact CH2-SG 3.46Å; W149-C153 HydrophobicContact CZ3-CB 4.21Å; W149-C153 WeakPolarHBondContact CZ3-SG 3.36Å; W149-C153 PolarHBondContact O-N 2.99Å; R150-C153 WeakPolarHBondContact O-CA 3.35Å; R150-C153 WeakPolarHBondContact O-CB 3.39Å; R150-C153 PolarHBondContact O-N 3.04Å; C153-T155 VanDerWaalsContact C-N 3.26Å; C153-T155 PolarHBondContact O-N 3.23Å; C153-L156 PolarHBondContact O-N 2.77Å; C153-L157 WeakPolarHBondContact O-CB 3.23Å; C153-L157 PolarHBondContact O-N 2.95Å; C153-L325 HydrophobicContact CB-CD2 4.39Å
154N97.6Very high97.6Very high0 Ų018.2 Ų18.20%011%0.109CC..Hα-helixtrans-59.9-41.3174-59.9113.3000110.6S82 R150 Y151 F152 L156 L157 Y158 A332 I333 P336S82-N154 VanDerWaalsContact OG-CB 3.23Å; S82-N154 WeakPolarHBondContact OG-CB 3.23Å; R150-N154 PolarHBondContact O-N 2.92Å; R150-N154 PolarHBondContact O-OD1 3.27Å; Y151-N154 PolarHBondContact O-N 3.34Å; F152-N154 PolarHBondContact O-N 3.42Å; N154-L156 VanDerWaalsContact C-N 3.35Å; N154-L156 PolarHBondContact O-N 3.12Å; N154-L157 PolarHBondContact O-N 3.38Å; N154-Y158 HydrophobicContact CB-CD2 4.38Å; N154-Y158 HydrophobicContact CB-CE2 4.32Å; N154-Y158 WeakPolarHBondContact O-CD2 3.45Å; N154-Y158 PolarHBondContact O-N 3.45Å; N154-A332 PolarHBondContact ND2-O 2.9Å; N154-I333 PolarHBondContact ND2-O 3.46Å; N154-P336 HydrophobicContact CB-CB 4.19Å
155T97.9Very high97.7Very high12 Ų1219.7 Ų19.77%0.07412%0.115CC..Hα-helixtrans-59-44.7176.2-590000111.6F79 S82 V83 Y151 F152 C153 G159F79-T155 HydrophobicContact CD2-CG2 4.36Å; F79-T155 HydrophobicContact CE2-CG2 3.82Å; S82-T155 WeakPolarHBondContact CB-OG1 3.38Å; V83-T155 HydrophobicContact CG2-CG2 3.54Å; V83-T155 PolarHBondContact N-OG1 3.03Å; Y151-T155 WeakPolarHBondContact O-CB 3.32Å; Y151-T155 PolarHBondContact O-N 3.44Å; Y151-T155 PolarHBondContact O-OG1 3.01Å; F152-T155 WeakPolarHBondContact O-CA 3.42Å; F152-T155 VanDerWaalsContact O-CB 3.27Å; F152-T155 WeakPolarHBondContact O-CB 3.07Å; F152-T155 PolarHBondContact O-N 3.18Å; F152-T155 VanDerWaalsContact O-N 3.1Å; C153-T155 VanDerWaalsContact C-N 3.26Å; C153-T155 PolarHBondContact O-N 3.23Å; T155-G159 WeakPolarHBondContact O-CA 3.47Å; T155-G159 PolarHBondContact O-N 3.42Å
156L97.8Very high97.7Very high15 Ų1520.5 Ų20.58%0.07912%0.119CC..Hα-helixtrans-64.2-46.2176.2-63.4-178.4000111.8F152 C153 N154 G159 L160 L227 F230 I231 E234F152-L156 HydrophobicContact CD1-CD1 4.16Å; F152-L156 HydrophobicContact CD1-CG 4.49Å; F152-L156 HydrophobicContact CE1-CD1 3.71Å; F152-L156 HydrophobicContact CE1-CG 4.22Å; F152-L156 HydrophobicContact CE2-CD2 4.34Å; F152-L156 HydrophobicContact CZ-CD1 4.11Å; F152-L156 HydrophobicContact CZ-CD2 4.13Å; F152-L156 HydrophobicContact CZ-CG 4.27Å; F152-L156 WeakPolarHBondContact O-CG 3.42Å; F152-L156 PolarHBondContact O-N 3.45Å; C153-L156 PolarHBondContact O-N 2.77Å; N154-L156 VanDerWaalsContact C-N 3.35Å; N154-L156 PolarHBondContact O-N 3.12Å; L156-G159 PolarHBondContact O-N 3.04Å; L156-L160 WeakPolarHBondContact O-CB 3.28Å; L156-L160 PolarHBondContact O-N 3.39Å; L156-L227 HydrophobicContact CD2-CD2 4.14Å; L156-F230 HydrophobicContact CD1-CD1 3.75Å; L156-F230 HydrophobicContact CD1-CE1 3.6Å; L156-F230 HydrophobicContact CD2-CD1 3.77Å; L156-F230 HydrophobicContact CD2-CE1 3.79Å; L156-F230 HydrophobicContact CG-CD1 4.41Å; L156-F230 HydrophobicContact CG-CE1 4.33Å; L156-I231 HydrophobicContact CB-CD1 4.03Å; L156-I231 HydrophobicContact CB-CG1 3.8Å; L156-I231 HydrophobicContact CD1-CG1 4.28Å; L156-E234 HydrophobicContact CD1-CG 4.12Å
157L97.5Very high97.7Very high43 Ų4320.3 Ų20.323%0.22512%0.119CC..Hα-helixtrans-60.5-54.4-178.6177.762.8000111.8C153 N154 G159 L160 L161 I333C153-L157 WeakPolarHBondContact O-CB 3.23Å; C153-L157 PolarHBondContact O-N 2.95Å; N154-L157 PolarHBondContact O-N 3.38Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.42Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-L161 HydrophobicContact CD1-CD1 4.2Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.16Å; L157-L161 WeakPolarHBondContact O-CG 3.26Å; L157-L161 PolarHBondContact O-N 3.24Å; L157-I333 HydrophobicContact CD2-CG2 3.96Å; L157-I333 WeakPolarHBondContact CD2-O 3.41Å
158Y98.3Very high97.8Very high11 Ų1125.6 Ų25.64%0.04313%0.132CC..Hα-helixtrans-71-28.2179.8-66-69.3000112.6I75 C78 N154 L161 G162 L334 P336I75-Y158 WeakPolarHBondContact CG2-O 3.3Å; C78-Y158 HydrophobicContact CB-CD1 3.49Å; C78-Y158 VanDerWaalsContact CB-CD1 3.49Å; C78-Y158 HydrophobicContact CB-CD2 3.72Å; C78-Y158 HydrophobicContact CB-CE1 3.36Å; C78-Y158 HydrophobicContact CB-CE2 3.62Å; C78-Y158 HydrophobicContact CB-CG 3.66Å; N154-Y158 HydrophobicContact CB-CD2 4.38Å; N154-Y158 HydrophobicContact CB-CE2 4.32Å; N154-Y158 WeakPolarHBondContact O-CD2 3.45Å; N154-Y158 PolarHBondContact O-N 3.45Å; Y158-L161 HydrophobicContact CD1-CD1 4.29Å; Y158-G162 PolarHBondContact O-N 3.44Å; Y158-L334 PolarHBondContact OH-O 2.96Å; Y158-P336 HydrophobicContact CE2-CG 4.44Å
159G98.3Very high97.9Very high9 Ų927.3 Ų27.39%0.09314%0.139CC..Hα-helixtrans-61-47.7169.400000111.6T155 L156 L157 C163T155-G159 WeakPolarHBondContact O-CA 3.47Å; T155-G159 PolarHBondContact O-N 3.42Å; L156-G159 PolarHBondContact O-N 3.04Å; L157-G159 VanDerWaalsContact C-N 3.3Å; L157-G159 PolarHBondContact O-N 3.42Å; G159-C163 VanDerWaalsContact O-CB 3.3Å; G159-C163 WeakPolarHBondContact O-CB 3.47Å; G159-C163 PolarHBondContact O-N 3.15Å; G159-C163 PolarHBondContact O-SG 2.94Å
160L98.4Very high97.9Very high28 Ų2827.3 Ų27.315%0.14714%0.139CC..Hα-helixtrans-63.3-49.7176.2174.264000111.2L156 L157 G162 C163 A164 T224 L227 F228 I231L156-L160 WeakPolarHBondContact O-CB 3.28Å; L156-L160 PolarHBondContact O-N 3.39Å; L157-L160 PolarHBondContact O-N 3.37Å; L160-G162 VanDerWaalsContact C-N 3.33Å; L160-G162 PolarHBondContact O-N 2.89Å; L160-C163 PolarHBondContact O-N 3.31Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.28Å; L160-T224 HydrophobicContact CD1-CG2 3.96Å; L160-L227 HydrophobicContact CB-CB 4.31Å; L160-L227 HydrophobicContact CD1-CB 4.2Å; L160-F228 HydrophobicContact CD1-CB 4.08Å; L160-F228 HydrophobicContact CD2-CD2 4.13Å; L160-I231 HydrophobicContact CB-CD1 3.76Å; L160-I231 HydrophobicContact CD2-CD1 3.65Å; L160-I231 HydrophobicContact CG-CD1 4.31Å
161L98.4Very high98Very high78 Ų7829.3 Ų29.341%0.40815%0.15SC..Hα-helixtrans-59.3-44.5-179.5-70.1174.5000111.5I75 L157 Y158 F165I75-L161 HydrophobicContact CD1-CB 4.32Å; I75-L161 HydrophobicContact CG2-CB 4.33Å; L157-L161 HydrophobicContact CD1-CD1 4.2Å; L157-L161 HydrophobicContact CD1-CG 4.34Å; L157-L161 HydrophobicContact CG-CD1 4.16Å; L157-L161 WeakPolarHBondContact O-CG 3.26Å; L157-L161 PolarHBondContact O-N 3.24Å; Y158-L161 HydrophobicContact CD1-CD1 4.29Å; L161-F165 VanDerWaalsContact O-CB 3.22Å; L161-F165 WeakPolarHBondContact O-CB 3.29Å; L161-F165 PolarHBondContact O-N 2.87Å
162G98.5Very high97.9Very high8 Ų829.2 Ų29.28%0.08215%0.153CC..Hα-helixtrans-65.9-47.5177.600000112.3Y158 L160 A164 F165 M166Y158-G162 PolarHBondContact O-N 3.44Å; L160-G162 VanDerWaalsContact C-N 3.33Å; L160-G162 PolarHBondContact O-N 2.89Å; G162-A164 PolarHBondContact O-N 3.1Å; G162-F165 PolarHBondContact O-N 2.86Å; G162-M166 VanDerWaalsContact O-CE 3.26Å; G162-M166 WeakPolarHBondContact O-CE 3Å; G162-M166 WeakPolarHBondContact O-CG 3.46Å; G162-M166 PolarHBondContact O-N 3.37Å
163C98.4Very high97.9Very high15 Ų1528.9 Ų28.910%0.10115%0.152CC..Hα-helixtrans-64.3-40.8178.7-65.30000111.7G159 L160 T167 I223 T224G159-C163 VanDerWaalsContact O-CB 3.3Å; G159-C163 WeakPolarHBondContact O-CB 3.47Å; G159-C163 PolarHBondContact O-N 3.15Å; G159-C163 PolarHBondContact O-SG 2.94Å; L160-C163 PolarHBondContact O-N 3.31Å; C163-T167 WeakPolarHBondContact O-CB 3.06Å; C163-T167 PolarHBondContact O-N 2.9Å; C163-T167 PolarHBondContact O-OG1 2.81Å; C163-I223 HydrophobicContact CB-CG2 4.42Å; C163-T224 VanDerWaalsContact CB-OG1 3.25Å; C163-T224 WeakPolarHBondContact CB-OG1 3.22Å; C163-T224 PolarHBondContact O-OG1 3.39Å
164A98.6Very high97.8Very high39 Ų3928.1 Ų28.132%0.32215%0.147SC..Hα-helixtrans-65.2-43.5176.900000111.8L160 G162 T167 Y168 T224L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.28Å; G162-A164 PolarHBondContact O-N 3.1Å; A164-T167 PolarHBondContact O-N 3.45Å; A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 3.23Å; A164-T224 HydrophobicContact CB-CG2 3.87Å
165F98.4Very high97.7Very high30 Ų3030.4 Ų30.413%0.13216%0.157CC..Hα-helixtrans-57.6-54175.2-178.3-80.9000111.2L57 A68 I71 L72 L161 G162 T167 Y168 Y169L57-F165 HydrophobicContact CD1-CE1 4.3Å; L57-F165 HydrophobicContact CD2-CE1 4.46Å; A68-F165 HydrophobicContact CB-CZ 4.07Å; I71-F165 HydrophobicContact CB-CE2 4.23Å; I71-F165 HydrophobicContact CG2-CD2 4.06Å; I71-F165 HydrophobicContact CG2-CE2 3.74Å; L72-F165 HydrophobicContact CB-CE1 3.98Å; L72-F165 HydrophobicContact CB-CZ 4.29Å; L72-F165 HydrophobicContact CD1-CD1 3.97Å; L72-F165 HydrophobicContact CD1-CE1 4.17Å; L72-F165 HydrophobicContact CD2-CE1 4.44Å; L72-F165 HydrophobicContact CG-CE1 4.43Å; L161-F165 VanDerWaalsContact O-CB 3.22Å; L161-F165 WeakPolarHBondContact O-CB 3.29Å; L161-F165 PolarHBondContact O-N 2.87Å; G162-F165 PolarHBondContact O-N 2.86Å; F165-T167 VanDerWaalsContact C-N 3.35Å; F165-T167 PolarHBondContact O-N 3.43Å; F165-Y168 WeakPolarHBondContact O-CB 3.24Å; F165-Y168 PolarHBondContact O-N 3.44Å; F165-Y169 AromaticContact CD1-CD2 3.94Å; F165-Y169 HydrophobicContact CD1-CD2 3.94Å; F165-Y169 HydrophobicContact CD1-CE2 4.04Å; F165-Y169 HydrophobicContact CD2-CE2 4.19Å; F165-Y169 AromaticContact CE1-CD2 3.67Å; F165-Y169 HydrophobicContact CE1-CD2 3.67Å; F165-Y169 AromaticContact CE1-CE2 3.53Å; F165-Y169 HydrophobicContact CE1-CE2 3.53Å; F165-Y169 AromaticContact CE2-CE2 3.72Å; F165-Y169 HydrophobicContact CE2-CE2 3.72Å; F165-Y169 HydrophobicContact CG-CD2 4.48Å; F165-Y169 HydrophobicContact CG-CE2 4.35Å; F165-Y169 HydrophobicContact CZ-CD2 4.03Å; F165-Y169 AromaticContact CZ-CE2 3.37Å; F165-Y169 HydrophobicContact CZ-CE2 3.37Å; F165-Y169 WeakPolarHBondContact O-CD2 3.17Å; F165-Y169 PolarHBondContact O-N 3.39Å
166M98.4Very high97.5Very high17 Ų1737.3 Ų37.38%0.08419%0.188CC..Hα-helixtrans-63.7-40.5179-66.8180-72.300111.4L48 E52 L72 G162 Y168 Y169 H170 L220L48-M166 HydrophobicContact CB-CE 4.25Å; L48-M166 HydrophobicContact CB-SD 3.81Å; L48-M166 HydrophobicContact CD1-CE 4.16Å; E52-M166 HydrophobicContact CB-CG 4.36Å; E52-M166 HydrophobicContact CG-CG 3.97Å; L72-M166 HydrophobicContact CD1-CG 4.24Å; G162-M166 VanDerWaalsContact O-CE 3.26Å; G162-M166 WeakPolarHBondContact O-CE 3Å; G162-M166 WeakPolarHBondContact O-CG 3.46Å; G162-M166 PolarHBondContact O-N 3.37Å; M166-Y168 VanDerWaalsContact C-N 3.31Å; M166-Y168 PolarHBondContact O-N 2.95Å; M166-Y169 PolarHBondContact O-N 3.28Å; M166-H170 VanDerWaalsContact O-CB 3.27Å; M166-H170 WeakPolarHBondContact O-CB 3.3Å; M166-H170 PolarHBondContact O-CD2 3.08Å; M166-H170 VanDerWaalsContact O-CD2 3.25Å; M166-H170 PolarHBondContact O-N 3.13Å; M166-L220 HydrophobicContact CB-CD1 3.81Å; M166-L220 HydrophobicContact CB-CD2 4.08Å; M166-L220 HydrophobicContact CE-CD2 3.9Å; M166-L220 HydrophobicContact SD-CD2 4.49Å
167T98.3Very high97.3Very high12 Ų1237.4 Ų37.47%0.07419%0.19CC..Hα-helixtrans-58.1-43.4176.3-61.40000111.3C163 A164 F165 H170 L171 L220 T221 T224C163-T167 WeakPolarHBondContact O-CB 3.06Å; C163-T167 PolarHBondContact O-N 2.9Å; C163-T167 PolarHBondContact O-OG1 2.81Å; A164-T167 PolarHBondContact O-N 3.45Å; F165-T167 VanDerWaalsContact C-N 3.35Å; F165-T167 PolarHBondContact O-N 3.43Å; T167-H170 PolarHBondContact O-N 3.28Å; T167-L171 HydrophobicContact CG2-CD1 3.71Å; T167-L171 HydrophobicContact CG2-CG 4.15Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 VanDerWaalsContact O-CG 3.22Å; T167-L171 WeakPolarHBondContact O-CG 3.09Å; T167-L171 PolarHBondContact O-N 3.47Å; T167-L220 WeakPolarHBondContact OG1-CB 3.48Å; T167-L220 PolarHBondContact OG1-O 3.47Å; T167-T221 HydrophobicContact CG2-CG2 4.47Å; T167-T221 WeakPolarHBondContact CG2-OG1 3.42Å; T167-T224 PolarHBondContact OG1-OG1 3.38Å
168Y98.1Very high97.1Very high147 Ų14742 Ų4258%0.57621%0.214SC*.Hα-helixtrans-59.1-49.9179170.4-97.8000112.1A164 F165 M166 L171 T172A164-Y168 WeakPolarHBondContact O-CB 3.44Å; A164-Y168 PolarHBondContact O-N 3.23Å; F165-Y168 WeakPolarHBondContact O-CB 3.24Å; F165-Y168 PolarHBondContact O-N 3.44Å; M166-Y168 VanDerWaalsContact C-N 3.31Å; M166-Y168 PolarHBondContact O-N 2.95Å; Y168-L171 PolarHBondContact O-N 3.45Å; Y168-T172 WeakPolarHBondContact O-CB 3.18Å; Y168-T172 PolarHBondContact O-N 3.1Å; Y168-T172 PolarHBondContact O-OG1 2.9Å
169Y97.8Very high96.9Very high37 Ų3744 Ų4415%0.14522%0.222CC..Hα-helixtrans-70.1-37.6179.3-73.5-71.8000112.4E52 L57 L60 L61 F165 M166 L171 T172 L173E52-Y169 VanDerWaalsContact OE1-CB 3.29Å; E52-Y169 WeakPolarHBondContact OE1-CB 3.43Å; L57-Y169 HydrophobicContact CD2-CD1 3.67Å; L57-Y169 HydrophobicContact CD2-CD2 3.65Å; L57-Y169 HydrophobicContact CD2-CE1 3.83Å; L57-Y169 HydrophobicContact CD2-CE2 3.84Å; L57-Y169 HydrophobicContact CD2-CG 3.57Å; L60-Y169 HydrophobicContact CD1-CD1 3.91Å; L60-Y169 HydrophobicContact CD1-CG 4.49Å; L60-Y169 VanDerWaalsContact CD1-O 3.24Å; L60-Y169 WeakPolarHBondContact CD1-O 3.39Å; L61-Y169 HydrophobicContact CD1-CE1 3.83Å; L61-Y169 HydrophobicContact CD2-CE1 4.31Å; L61-Y169 HydrophobicContact CG-CE1 4.26Å; F165-Y169 AromaticContact CD1-CD2 3.94Å; F165-Y169 HydrophobicContact CD1-CD2 3.94Å; F165-Y169 HydrophobicContact CD1-CE2 4.04Å; F165-Y169 HydrophobicContact CD2-CE2 4.19Å; F165-Y169 AromaticContact CE1-CD2 3.67Å; F165-Y169 HydrophobicContact CE1-CD2 3.67Å; F165-Y169 AromaticContact CE1-CE2 3.53Å; F165-Y169 HydrophobicContact CE1-CE2 3.53Å; F165-Y169 AromaticContact CE2-CE2 3.72Å; F165-Y169 HydrophobicContact CE2-CE2 3.72Å; F165-Y169 HydrophobicContact CG-CD2 4.48Å; F165-Y169 HydrophobicContact CG-CE2 4.35Å; F165-Y169 HydrophobicContact CZ-CD2 4.03Å; F165-Y169 AromaticContact CZ-CE2 3.37Å; F165-Y169 HydrophobicContact CZ-CE2 3.37Å; F165-Y169 WeakPolarHBondContact O-CD2 3.17Å; F165-Y169 PolarHBondContact O-N 3.39Å; M166-Y169 PolarHBondContact O-N 3.28Å; Y169-L171 PolarHBondContact O-N 3.14Å; Y169-T172 WeakPolarHBondContact O-CB 3.5Å; Y169-T172 PolarHBondContact O-N 3.48Å; Y169-L173 WeakPolarHBondContact O-CB 3.29Å; Y169-L173 PolarHBondContact O-N 3Å
170H97.7Very high96.6Very high1 Ų143.7 Ų43.71%0.00522%0.218CC..Hα-helixtrans-60.1-43.5172.1-92.3-109.3000113E52 M166 T167 T172 L173 V174 T217E52-H170 IonicContact OE2-CD2 3.38Å; E52-H170 PolarHBondContact OE2-CD2 3.17Å; E52-H170 IonicContact OE2-NE2 3.76Å; M166-H170 VanDerWaalsContact O-CB 3.27Å; M166-H170 WeakPolarHBondContact O-CB 3.3Å; M166-H170 PolarHBondContact O-CD2 3.08Å; M166-H170 VanDerWaalsContact O-CD2 3.25Å; M166-H170 PolarHBondContact O-N 3.13Å; T167-H170 PolarHBondContact O-N 3.28Å; H170-T172 VanDerWaalsContact C-N 3.33Å; H170-L173 WeakPolarHBondContact O-CB 3.48Å; H170-L173 PolarHBondContact O-N 2.84Å; H170-V174 WeakPolarHBondContact O-CG2 3.43Å; H170-V174 PolarHBondContact O-N 3.47Å; H170-T217 HydrophobicContact CB-CG2 4.1Å; H170-T217 WeakPolarHBondContact CB-OG1 3.27Å; H170-T217 PolarHBondContact ND1-OG1 3.06Å
171L97.3Very high96.2Very high55 Ų5544.9 Ų44.929%0.28823%0.228SC..Hα-helixtrans-67.3-37.1175.7-69.9172.6000111.2T167 Y168 Y169 V174 F175 M193 T217T167-L171 HydrophobicContact CG2-CD1 3.71Å; T167-L171 HydrophobicContact CG2-CG 4.15Å; T167-L171 WeakPolarHBondContact O-CB 3.46Å; T167-L171 VanDerWaalsContact O-CG 3.22Å; T167-L171 WeakPolarHBondContact O-CG 3.09Å; T167-L171 PolarHBondContact O-N 3.47Å; Y168-L171 PolarHBondContact O-N 3.45Å; Y169-L171 PolarHBondContact O-N 3.14Å; L171-V174 PolarHBondContact O-N 3.35Å; L171-F175 HydrophobicContact CB-CD2 4.37Å; L171-F175 HydrophobicContact CD2-CD2 4.06Å; L171-F175 HydrophobicContact CD2-CE2 3.67Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 WeakPolarHBondContact O-CD2 3.19Å; L171-F175 PolarHBondContact O-N 3.37Å; L171-M193 HydrophobicContact CD2-CE 4.46Å; L171-T217 HydrophobicContact CD2-CG2 3.88Å; L171-T217 HydrophobicContact CG-CG2 4.43Å
172T96.8Very high95.6Very high33 Ų3348.7 Ų48.720%0.20225%0.247CC..Hα-helixtrans-62.4-44.9173.6-57.40000111.1L60 Y168 Y169 H170 V174 H176 S177L60-T172 HydrophobicContact CD1-CG2 4.17Å; L60-T172 HydrophobicContact CD2-CG2 4.13Å; Y168-T172 WeakPolarHBondContact O-CB 3.18Å; Y168-T172 PolarHBondContact O-N 3.1Å; Y168-T172 PolarHBondContact O-OG1 2.9Å; Y169-T172 WeakPolarHBondContact O-CB 3.5Å; Y169-T172 PolarHBondContact O-N 3.48Å; H170-T172 VanDerWaalsContact C-N 3.33Å; T172-V174 PolarHBondContact O-N 3.31Å; T172-H176 HydrophobicContact CG2-CB 4.13Å; T172-H176 CarbonylContact O-C 3.48Å; T172-H176 WeakPolarHBondContact O-CA 3.46Å; T172-H176 WeakPolarHBondContact O-CB 3.33Å; T172-H176 PolarHBondContact O-N 2.91Å; T172-S177 PolarHBondContact O-N 3.41Å; T172-S177 VanDerWaalsContact O-N 3.12Å
173L96Very high95.2Very high0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-57.9-48.5173.9-173.875.3000111.4F55 V56 Y59 L60 Y169 H170 S177 Y179 L213F55-L173 HydrophobicContact CE1-CD2 4.44Å; V56-L173 HydrophobicContact CG1-CB 4.49Å; V56-L173 HydrophobicContact CG1-CD2 4.46Å; V56-L173 HydrophobicContact CG2-CD2 4.31Å; Y59-L173 HydrophobicContact CD1-CD1 3.21Å; Y59-L173 HydrophobicContact CE1-CD1 3.72Å; Y59-L173 HydrophobicContact CG-CD1 4Å; L60-L173 HydrophobicContact CD1-CB 4.17Å; L60-L173 HydrophobicContact CD2-CB 4.42Å; L60-L173 HydrophobicContact CD2-CD1 4.14Å; L60-L173 HydrophobicContact CG-CD1 4.22Å; Y169-L173 WeakPolarHBondContact O-CB 3.29Å; Y169-L173 PolarHBondContact O-N 3Å; H170-L173 WeakPolarHBondContact O-CB 3.48Å; H170-L173 PolarHBondContact O-N 2.84Å; L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-OG 3.22Å; L173-Y179 HydrophobicContact CD1-CG 4.22Å; L173-L213 HydrophobicContact CD2-CD1 4.13Å; L173-L213 HydrophobicContact CD2-CD2 3.98Å
174V95.8Very high95Very high0 Ų055.7 Ų55.70%028%0.283CS..Hα-helixtrans-68.2-46.9-177.41740000111.9H170 L171 T172 F180 K189 F214 T217H170-V174 WeakPolarHBondContact O-CG2 3.43Å; H170-V174 PolarHBondContact O-N 3.47Å; L171-V174 PolarHBondContact O-N 3.35Å; T172-V174 PolarHBondContact O-N 3.31Å; V174-F180 HydrophobicContact CB-CE2 4.26Å; V174-F180 HydrophobicContact CG2-CE2 3.91Å; V174-F180 HydrophobicContact CG2-CZ 4.49Å; V174-K189 HydrophobicContact CG1-CB 4.26Å; V174-K189 HydrophobicContact CG1-CD 4.34Å; V174-K189 VanDerWaalsContact O-CD 3.32Å; V174-K189 WeakPolarHBondContact O-CD 3.48Å; V174-K189 WeakPolarHBondContact O-CE 3.35Å; V174-K189 PolarHBondContact O-NZ 3.07Å; V174-F214 HydrophobicContact CG1-CD1 4.49Å; V174-F214 HydrophobicContact CG1-CE1 3.74Å; V174-F214 HydrophobicContact CG2-CD1 4.48Å; V174-F214 HydrophobicContact CG2-CE1 4.31Å; V174-T217 HydrophobicContact CG2-CG2 4.31Å
175F95.5Very high94.7Very high49 Ų4956.7 Ų56.722%0.21529%0.287CS..Hα-helixtrans-100.8-27.4-166.4-65.7-64.1000114.8L171 I186 K189 L190 M193L171-F175 HydrophobicContact CB-CD2 4.37Å; L171-F175 HydrophobicContact CD2-CD2 4.06Å; L171-F175 HydrophobicContact CD2-CE2 3.67Å; L171-F175 WeakPolarHBondContact O-CB 3.42Å; L171-F175 WeakPolarHBondContact O-CD2 3.19Å; L171-F175 PolarHBondContact O-N 3.37Å; F175-I186 HydrophobicContact CD1-CD1 3.2Å; F175-I186 HydrophobicContact CE1-CD1 3.29Å; F175-I186 HydrophobicContact CE1-CG1 4.5Å; F175-I186 HydrophobicContact CG-CD1 4.28Å; F175-I186 HydrophobicContact CZ-CD1 4.42Å; F175-K189 HydrophobicContact CD1-CB 4.38Å; F175-K189 HydrophobicContact CD1-CD 4.03Å; F175-K189 HydrophobicContact CE1-CB 3.8Å; F175-K189 HydrophobicContact CE1-CD 4.31Å; F175-L190 HydrophobicContact CE1-CD2 4.33Å; F175-L190 HydrophobicContact CE1-CG 4.45Å; F175-L190 HydrophobicContact CZ-CD2 3.89Å; F175-L190 HydrophobicContact CZ-CG 4.47Å; F175-M193 HydrophobicContact CE2-SD 3.99Å; F175-M193 HydrophobicContact CZ-SD 3.68Å
176H93.6Very high94.5Very high157 Ų15759.4 Ų59.473%0.72730%0.302SS*.Hα-helixtrans-120.3-3.5-169.3-64.5-67.4000114.7T172T172-H176 HydrophobicContact CG2-CB 4.13Å; T172-H176 CarbonylContact O-C 3.48Å; T172-H176 WeakPolarHBondContact O-CA 3.46Å; T172-H176 WeakPolarHBondContact O-CB 3.33Å; T172-H176 PolarHBondContact O-N 2.91Å
177S93.7Very high94.3Very high16 Ų1667.2 Ų67.211%0.11233%0.332CS..SBendtrans-106.2160.6178.190.10000112.6Y59 T172 L173 Y179Y59-S177 WeakPolarHBondContact CE1-OG 3.29Å; T172-S177 PolarHBondContact O-N 3.41Å; T172-S177 VanDerWaalsContact O-N 3.12Å; L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-OG 3.22Å; S177-Y179 PolarHBondContact O-N 3.4Å; S177-Y179 VanDerWaalsContact OG-CB 3.32Å; S177-Y179 WeakPolarHBondContact OG-CB 3.5Å; S177-Y179 PolarHBondContact OG-N 2.85Å
178D92.1Very high94.1Very high139 Ų13969.3 Ų69.374%0.74334%0.339SS*.THydrogen-bonded Turntrans-79.98176.2-61.7-35.4000113.1Y59 F180Y59-D178 VanDerWaalsContact OH-C 3.27Å; D178-F180 PolarHBondContact O-N 3.01Å
179Y94.2Very high93.9Very high54 Ų5463.1 Ų63.121%0.21232%0.315CS..THydrogen-bonded Turntrans-61.7-38.4-178.7-176-94.3000111.4F55 Y59 L173 S177 I209 Q210 L213F55-Y179 HydrophobicContact CE1-CE2 4.03Å; F55-Y179 AromaticContact CZ-CE2 3.57Å; F55-Y179 HydrophobicContact CZ-CE2 3.57Å; F55-Y179 AromaticContact CZ-CZ 3.74Å; Y59-Y179 HydrophobicContact CD2-CD2 4.14Å; Y59-Y179 HydrophobicContact CE1-CD2 4.29Å; Y59-Y179 HydrophobicContact CE1-CG 4.41Å; Y59-Y179 AromaticContact CE2-CD2 3.81Å; Y59-Y179 HydrophobicContact CE2-CD2 3.81Å; Y59-Y179 AromaticContact CZ-CD2 3.91Å; Y59-Y179 WeakPolarHBondContact OH-CA 3.29Å; Y59-Y179 PolarHBondContact OH-N 3.48Å; L173-Y179 HydrophobicContact CD1-CG 4.22Å; S177-Y179 PolarHBondContact O-N 3.4Å; S177-Y179 VanDerWaalsContact OG-CB 3.32Å; S177-Y179 WeakPolarHBondContact OG-CB 3.5Å; S177-Y179 PolarHBondContact OG-N 2.85Å; Y179-I209 WeakPolarHBondContact OH-CG2 3.3Å; Y179-Q210 HydrophobicContact CE1-CG 4.15Å; Y179-L213 HydrophobicContact CD1-CD1 4.11Å; Y179-L213 HydrophobicContact CE1-CD1 3.37Å
180F92.7Very high93.7Very high2 Ų264.9 Ų64.91%0.00933%0.326CS..SBendtrans-98.1142.2173.9-63.5-77.4000109.7V174 D178 I182 W184 Q210 L213 F214V174-F180 HydrophobicContact CB-CE2 4.26Å; V174-F180 HydrophobicContact CG2-CE2 3.91Å; V174-F180 HydrophobicContact CG2-CZ 4.49Å; D178-F180 PolarHBondContact O-N 3.01Å; F180-I182 PolarHBondContact O-N 2.99Å; F180-W184 HydrophobicContact CB-CE3 4.06Å; F180-W184 HydrophobicContact CB-CZ3 4.42Å; F180-W184 AromaticContact CD1-CE3 3.9Å; F180-W184 HydrophobicContact CD1-CE3 3.9Å; F180-W184 HydrophobicContact CD1-CH2 4.05Å; F180-W184 AromaticContact CD1-CZ3 3.4Å; F180-W184 HydrophobicContact CD1-CZ3 3.4Å; F180-W184 HydrophobicContact CE1-CZ3 4.01Å; F180-W184 HydrophobicContact CG-CE3 4.3Å; F180-W184 HydrophobicContact CG-CZ3 4.23Å; F180-Q210 HydrophobicContact CD1-CG 4.36Å; F180-Q210 HydrophobicContact CE1-CB 4.08Å; F180-Q210 HydrophobicContact CE1-CG 3.75Å; F180-L213 HydrophobicContact CZ-CD1 4.47Å; F180-F214 HydrophobicContact CD1-CE2 4.15Å; F180-F214 HydrophobicContact CD1-CZ 4.12Å; F180-F214 HydrophobicContact CE1-CD2 4.25Å; F180-F214 AromaticContact CE1-CE2 3.39Å; F180-F214 HydrophobicContact CE1-CE2 3.39Å; F180-F214 AromaticContact CE1-CZ 3.62Å; F180-F214 HydrophobicContact CE1-CZ 3.62Å; F180-F214 HydrophobicContact CE2-CZ 4.37Å; F180-F214 HydrophobicContact CZ-CD2 4.36Å; F180-F214 HydrophobicContact CZ-CE1 4.39Å; F180-F214 AromaticContact CZ-CE2 3.76Å; F180-F214 HydrophobicContact CZ-CE2 3.76Å; F180-F214 AromaticContact CZ-CZ 3.77Å; F180-F214 HydrophobicContact CZ-CZ 3.77Å
181P90Very high93.4Very high54 Ų5469 Ų6935%0.35135%0.348SS..  trans-52.5134.6-178.3-2633.5000112.1T183 W184P181-T183 PolarHBondContact O-N 3.28Å; P181-W184 HydrophobicContact CB-CG 4.28Å; P181-W184 HydrophobicContact CG-CD2 4.43Å; P181-W184 HydrophobicContact CG-CG 4.48Å; P181-W184 HydrophobicContact CG-CZ2 4.4Å; P181-W184 VanDerWaalsContact O-CB 3.27Å; P181-W184 WeakPolarHBondContact O-CB 3.29Å; P181-W184 PolarHBondContact O-N 3.28Å
182I86.2Confident93.2Very high158 Ų15866.4 Ų66.481%0.8133%0.334SS*.THydrogen-bonded Turntrans-59.8-21.8178.8-164.3161000113.1F180 W184F180-I182 PolarHBondContact O-N 2.99Å; I182-W184 PolarHBondContact O-N 3.13Å
183T90.3Very high92.9Very high122 Ų12266.3 Ų66.375%0.74833%0.332SS*.THydrogen-bonded Turntrans-68.9-16.7174.255.10000113.4P181 S185P181-T183 PolarHBondContact O-N 3.28Å; T183-S185 PolarHBondContact O-N 2.83Å
184W92.9Very high92.6Very high48 Ų4873.2 Ų73.218%0.18237%0.368CS..SBendtrans-75.7116.7178.1-71.318000110.2F180 P181 I182 Y188 K189 L206 F214F180-W184 HydrophobicContact CB-CE3 4.06Å; F180-W184 HydrophobicContact CB-CZ3 4.42Å; F180-W184 AromaticContact CD1-CE3 3.9Å; F180-W184 HydrophobicContact CD1-CE3 3.9Å; F180-W184 HydrophobicContact CD1-CH2 4.05Å; F180-W184 AromaticContact CD1-CZ3 3.4Å; F180-W184 HydrophobicContact CD1-CZ3 3.4Å; F180-W184 HydrophobicContact CE1-CZ3 4.01Å; F180-W184 HydrophobicContact CG-CE3 4.3Å; F180-W184 HydrophobicContact CG-CZ3 4.23Å; P181-W184 HydrophobicContact CB-CG 4.28Å; P181-W184 HydrophobicContact CG-CD2 4.43Å; P181-W184 HydrophobicContact CG-CG 4.48Å; P181-W184 HydrophobicContact CG-CZ2 4.4Å; P181-W184 VanDerWaalsContact O-CB 3.27Å; P181-W184 WeakPolarHBondContact O-CB 3.29Å; P181-W184 PolarHBondContact O-N 3.28Å; I182-W184 PolarHBondContact O-N 3.13Å; W184-Y188 HydrophobicContact CB-CD1 4.09Å; W184-Y188 AromaticContact CD2-CD1 3.5Å; W184-Y188 HydrophobicContact CD2-CD1 3.5Å; W184-Y188 AromaticContact CD2-CE1 3.47Å; W184-Y188 HydrophobicContact CD2-CE1 3.47Å; W184-Y188 VanDerWaalsContact CD2-CE1 3.47Å; W184-Y188 AromaticContact CE2-CE1 3.58Å; W184-Y188 AromaticContact CE3-CD1 3.55Å; W184-Y188 HydrophobicContact CE3-CD1 3.55Å; W184-Y188 AromaticContact CE3-CE1 3.52Å; W184-Y188 HydrophobicContact CE3-CE1 3.52Å; W184-Y188 AromaticContact CG-CD1 3.77Å; W184-Y188 HydrophobicContact CG-CD1 3.77Å; W184-Y188 HydrophobicContact CG-CE1 4.11Å; W184-Y188 AromaticContact CH2-CE1 3.84Å; W184-Y188 HydrophobicContact CH2-CE1 3.84Å; W184-Y188 AromaticContact CZ2-CE1 3.78Å; W184-Y188 HydrophobicContact CZ2-CE1 3.78Å; W184-Y188 HydrophobicContact CZ3-CD1 4.16Å; W184-Y188 AromaticContact CZ3-CE1 3.7Å; W184-Y188 HydrophobicContact CZ3-CE1 3.7Å; W184-K189 HydrophobicContact CB-CG 4.48Å; W184-K189 HydrophobicContact CE3-CG 4.47Å; W184-L206 HydrophobicContact CH2-CD2 3.43Å; W184-L206 VanDerWaalsContact CH2-CD2 3.43Å; W184-L206 HydrophobicContact CZ2-CD2 4.41Å; W184-L206 HydrophobicContact CZ3-CD2 3.92Å; W184-F214 AromaticContact CZ3-CE2 3.97Å; W184-F214 HydrophobicContact CZ3-CE2 3.97Å; W184-F214 HydrophobicContact CZ3-CZ 4.05Å
185S93.5Very high92.3Very high59 Ų5974.8 Ų74.841%0.41338%0.377SS..  trans-64.8156.7175.171.70000111.7T183 Y187 Y188 K189T183-S185 PolarHBondContact O-N 2.83Å; S185-Y187 PolarHBondContact O-N 3.19Å; S185-Y188 PolarHBondContact O-N 3.36Å; S185-Y188 PolarHBondContact OG-N 2.76Å; S185-Y188 VanDerWaalsContact OG-N 3.12Å; S185-K189 PolarHBondContact O-N 3.36Å; S185-K189 VanDerWaalsContact O-N 3.11Å
186I94Very high91.9Very high88 Ų8876.7 Ų76.745%0.45139%0.394SS..Hα-helixtrans-53-38.7171.6-173.666.6000111.6F175 K189 L190F175-I186 HydrophobicContact CD1-CD1 3.2Å; F175-I186 HydrophobicContact CE1-CD1 3.29Å; F175-I186 HydrophobicContact CE1-CG1 4.5Å; F175-I186 HydrophobicContact CG-CD1 4.28Å; F175-I186 HydrophobicContact CZ-CD1 4.42Å; I186-K189 PolarHBondContact O-N 2.94Å; I186-L190 HydrophobicContact CG1-CD1 4.23Å; I186-L190 WeakPolarHBondContact O-CG 3.3Å; I186-L190 PolarHBondContact O-N 3.44Å
187Y94.1Very high91.5Very high181 Ų18169.6 Ų69.671%0.7136%0.362SS*.Hα-helixtrans-66.9-37.7178.6-56.9-68.9000112.6S185 L190 L191S185-Y187 PolarHBondContact O-N 3.19Å; Y187-L190 PolarHBondContact O-N 2.98Å; Y187-L191 VanDerWaalsContact O-CB 3.3Å; Y187-L191 WeakPolarHBondContact O-CB 3.48Å; Y187-L191 PolarHBondContact O-N 3.47Å
188Y93.1Very high91Very high56 Ų5670.6 Ų70.622%0.2238%0.375CS..Hα-helixtrans-65.9-42.3175-175.5-105.1000111.2W184 S185 L190 L191 C192 M200 Y205W184-Y188 HydrophobicContact CB-CD1 4.09Å; W184-Y188 AromaticContact CD2-CD1 3.5Å; W184-Y188 HydrophobicContact CD2-CD1 3.5Å; W184-Y188 AromaticContact CD2-CE1 3.47Å; W184-Y188 HydrophobicContact CD2-CE1 3.47Å; W184-Y188 VanDerWaalsContact CD2-CE1 3.47Å; W184-Y188 AromaticContact CE2-CE1 3.58Å; W184-Y188 AromaticContact CE3-CD1 3.55Å; W184-Y188 HydrophobicContact CE3-CD1 3.55Å; W184-Y188 AromaticContact CE3-CE1 3.52Å; W184-Y188 HydrophobicContact CE3-CE1 3.52Å; W184-Y188 AromaticContact CG-CD1 3.77Å; W184-Y188 HydrophobicContact CG-CD1 3.77Å; W184-Y188 HydrophobicContact CG-CE1 4.11Å; W184-Y188 AromaticContact CH2-CE1 3.84Å; W184-Y188 HydrophobicContact CH2-CE1 3.84Å; W184-Y188 AromaticContact CZ2-CE1 3.78Å; W184-Y188 HydrophobicContact CZ2-CE1 3.78Å; W184-Y188 HydrophobicContact CZ3-CD1 4.16Å; W184-Y188 AromaticContact CZ3-CE1 3.7Å; W184-Y188 HydrophobicContact CZ3-CE1 3.7Å; S185-Y188 PolarHBondContact O-N 3.36Å; S185-Y188 PolarHBondContact OG-N 2.76Å; S185-Y188 VanDerWaalsContact OG-N 3.12Å; Y188-L190 PolarHBondContact O-N 2.89Å; Y188-L191 WeakPolarHBondContact O-CB 3.3Å; Y188-L191 PolarHBondContact O-N 3.47Å; Y188-C192 PolarHBondContact O-N 3.37Å; Y188-C192 PolarHBondContact O-SG 3.32Å; Y188-M200 HydrophobicContact CE2-CE 4.36Å; Y188-Y205 PolarHBondContact OH-O 3.1Å
189K93.8Very high90.8Very high17 Ų1769.5 Ų69.57%0.07436%0.364CS..Hα-helixtrans-60.8-44.2174.7-64.9178.4179.1-168.50111.7V174 F175 W184 S185 I186 C192 M193V174-K189 HydrophobicContact CG1-CB 4.26Å; V174-K189 HydrophobicContact CG1-CD 4.34Å; V174-K189 VanDerWaalsContact O-CD 3.32Å; V174-K189 WeakPolarHBondContact O-CD 3.48Å; V174-K189 WeakPolarHBondContact O-CE 3.35Å; V174-K189 PolarHBondContact O-NZ 3.07Å; F175-K189 HydrophobicContact CD1-CB 4.38Å; F175-K189 HydrophobicContact CD1-CD 4.03Å; F175-K189 HydrophobicContact CE1-CB 3.8Å; F175-K189 HydrophobicContact CE1-CD 4.31Å; W184-K189 HydrophobicContact CB-CG 4.48Å; W184-K189 HydrophobicContact CE3-CG 4.47Å; S185-K189 PolarHBondContact O-N 3.36Å; S185-K189 VanDerWaalsContact O-N 3.11Å; I186-K189 PolarHBondContact O-N 2.94Å; K189-C192 PolarHBondContact O-N 3.28Å; K189-M193 WeakPolarHBondContact O-CG 3.2Å; K189-M193 PolarHBondContact O-N 2.86Å; K189-M193 VanDerWaalsContact O-N 3.14Å
190L93.9Very high90.5Very high73 Ų7367.7 Ų67.738%0.38236%0.357SS..Hα-helixtrans-65.3-38.4175-69.7171.7000112.5F175 I186 Y187 Y188 C192 M193 I194F175-L190 HydrophobicContact CE1-CD2 4.33Å; F175-L190 HydrophobicContact CE1-CG 4.45Å; F175-L190 HydrophobicContact CZ-CD2 3.89Å; F175-L190 HydrophobicContact CZ-CG 4.47Å; I186-L190 HydrophobicContact CG1-CD1 4.23Å; I186-L190 WeakPolarHBondContact O-CG 3.3Å; I186-L190 PolarHBondContact O-N 3.44Å; Y187-L190 PolarHBondContact O-N 2.98Å; Y188-L190 PolarHBondContact O-N 2.89Å; L190-C192 VanDerWaalsContact C-N 3.34Å; L190-C192 PolarHBondContact O-N 3.3Å; L190-M193 WeakPolarHBondContact O-CB 3.37Å; L190-M193 PolarHBondContact O-N 3.46Å; L190-M193 VanDerWaalsContact O-N 3.16Å; L190-I194 WeakPolarHBondContact O-CG1 3.36Å; L190-I194 PolarHBondContact O-N 3.5Å
191L92.7Very high90.3Very high88 Ų8873 Ų7346%0.46138%0.378SS..Hα-helixtrans-62.1-42.6175.1179.765.6000111.3Y187 Y188 M193 I194 T195Y187-L191 VanDerWaalsContact O-CB 3.3Å; Y187-L191 WeakPolarHBondContact O-CB 3.48Å; Y187-L191 PolarHBondContact O-N 3.47Å; Y188-L191 WeakPolarHBondContact O-CB 3.3Å; Y188-L191 PolarHBondContact O-N 3.47Å; L191-M193 PolarHBondContact O-N 3.04Å; L191-I194 PolarHBondContact O-N 2.92Å; L191-T195 WeakPolarHBondContact CD1-OG1 3.49Å; L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 PolarHBondContact O-N 3.33Å; L191-T195 PolarHBondContact O-OG1 3.45Å
192C93Very high90.3Very high0 Ų076.4 Ų76.40%039%0.392CS..Hα-helixtrans-65.2-25.9175.1-69.60000113.1Y188 K189 L190 P197 L206 F214Y188-C192 PolarHBondContact O-N 3.37Å; Y188-C192 PolarHBondContact O-SG 3.32Å; K189-C192 PolarHBondContact O-N 3.28Å; L190-C192 VanDerWaalsContact C-N 3.34Å; L190-C192 PolarHBondContact O-N 3.3Å; C192-P197 WeakPolarHBondContact O-CG 3.47Å; C192-L206 HydrophobicContact CB-CD1 4.32Å; C192-F214 HydrophobicContact CB-CD1 4.04Å; C192-F214 HydrophobicContact CB-CD2 3.92Å; C192-F214 HydrophobicContact CB-CE1 3.91Å; C192-F214 HydrophobicContact CB-CE2 3.79Å; C192-F214 HydrophobicContact CB-CG 4.06Å; C192-F214 HydrophobicContact CB-CZ 3.79Å
193M90.4Very high90.6Very high32 Ų3273.5 Ų73.516%0.15838%0.378CS..Hα-helixtrans-77.1-41.7173.7-75.7-17766.400112.6L171 F175 K189 L190 L191 F214 T217 C218L171-M193 HydrophobicContact CD2-CE 4.46Å; F175-M193 HydrophobicContact CE2-SD 3.99Å; F175-M193 HydrophobicContact CZ-SD 3.68Å; K189-M193 WeakPolarHBondContact O-CG 3.2Å; K189-M193 PolarHBondContact O-N 2.86Å; K189-M193 VanDerWaalsContact O-N 3.14Å; L190-M193 WeakPolarHBondContact O-CB 3.37Å; L190-M193 PolarHBondContact O-N 3.46Å; L190-M193 VanDerWaalsContact O-N 3.16Å; L191-M193 PolarHBondContact O-N 3.04Å; M193-F214 HydrophobicContact CG-CD1 3.66Å; M193-F214 HydrophobicContact CG-CE1 4.18Å; M193-T217 HydrophobicContact CE-CG2 3.95Å; M193-C218 VanDerWaalsContact C-SG 3.6Å; M193-C218 WeakPolarHBondContact CA-SG 3.43Å; M193-C218 WeakPolarHBondContact CB-SG 3.41Å; M193-C218 PolarHBondContact O-SG 2.87Å
194I90.1Very high90.6Very high145 Ų14570.9 Ų70.974%0.74438%0.375SS*.Hα-helixtrans-80.2-40-176.1-63.9166.5000111.4L190 L191L190-I194 WeakPolarHBondContact O-CG1 3.36Å; L190-I194 PolarHBondContact O-N 3.5Å; L191-I194 PolarHBondContact O-N 2.92Å
195T88.7Confident90.4Very high33 Ų3375.3 Ų75.320%0.20239%0.392CS..SBendtrans-71.6140.6176.7-52.40000109L191 P197 M200L191-T195 WeakPolarHBondContact CD1-OG1 3.49Å; L191-T195 WeakPolarHBondContact O-CB 3.44Å; L191-T195 PolarHBondContact O-N 3.33Å; L191-T195 PolarHBondContact O-OG1 3.45Å; T195-P197 WeakPolarHBondContact O-CD 3.32Å; T195-M200 HydrophobicContact CG2-CG 3.84Å; T195-M200 HydrophobicContact CG2-SD 4.07Å
196P87.3Confident90.3Very high88 Ų8872.9 Ų72.957%0.57138%0.375SS*.  trans-52.1110.3175.1-25.634.1000110.3G198 F199 M200P196-G198 PolarHBondContact O-N 3.28Å; P196-G198 VanDerWaalsContact O-N 3.13Å; P196-F199 HydrophobicContact CB-CB 4.11Å; P196-F199 WeakPolarHBondContact O-CA 3.4Å; P196-F199 WeakPolarHBondContact O-CB 3.31Å; P196-F199 PolarHBondContact O-N 3.13Å; P196-M200 PolarHBondContact O-N 2.94Å
197P83.9Confident90.3Very high8 Ų872.2 Ų72.25%0.05238%0.375CS..Hα-helixtrans-61.5-31.7-171-26.335.6000112.2C192 T195 F199 M200 W201 S211 F214 L215C192-P197 WeakPolarHBondContact O-CG 3.47Å; T195-P197 WeakPolarHBondContact O-CD 3.32Å; P197-F199 VanDerWaalsContact C-N 3.28Å; P197-F199 PolarHBondContact O-N 3.07Å; P197-M200 WeakPolarHBondContact O-CB 3.35Å; P197-M200 PolarHBondContact O-N 3.26Å; P197-W201 PolarHBondContact O-N 3.32Å; P197-S211 WeakPolarHBondContact CB-O 3.48Å; P197-S211 PolarHBondContact O-OG 3.29Å; P197-F214 HydrophobicContact CB-CB 4.04Å; P197-F214 HydrophobicContact CG-CB 3.9Å; P197-L215 HydrophobicContact CB-CB 4.42Å; P197-L215 HydrophobicContact CG-CB 4.08Å
198G84.1Confident90.2Very high37 Ų3769.1 Ų69.138%0.38137%0.365SS..Hα-helixtrans-63.3-28.3173.200000114.3P196 L202P196-G198 PolarHBondContact O-N 3.28Å; P196-G198 VanDerWaalsContact O-N 3.13Å; G198-L202 WeakPolarHBondContact O-CG 3.31Å; G198-L202 PolarHBondContact O-N 3.49Å
199F88Confident90.2Very high116 Ų11670.5 Ų70.551%0.50938%0.375SS..Hα-helixtrans-73.2-39.4174.2-173.2-109.8000111.3P196 P197 W201 L202 L203P196-F199 HydrophobicContact CB-CB 4.11Å; P196-F199 WeakPolarHBondContact O-CA 3.4Å; P196-F199 WeakPolarHBondContact O-CB 3.31Å; P196-F199 PolarHBondContact O-N 3.13Å; P197-F199 VanDerWaalsContact C-N 3.28Å; P197-F199 PolarHBondContact O-N 3.07Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 3.1Å; F199-L202 PolarHBondContact O-N 3.24Å; F199-L203 HydrophobicContact CD1-CD1 3.98Å; F199-L203 HydrophobicContact CE1-CD1 3.56Å; F199-L203 HydrophobicContact CE1-CG 4.32Å; F199-L203 HydrophobicContact CZ-CD1 4.03Å; F199-L203 HydrophobicContact CZ-CG 4.44Å; F199-L203 WeakPolarHBondContact O-CG 3.45Å; F199-L203 PolarHBondContact O-N 3.4Å; F199-L203 VanDerWaalsContact O-N 3.16Å
200M87.4Confident90.2Very high16 Ų1670.9 Ų70.98%0.07938%0.378CS..Hα-helixtrans-64-36.5174.9-67-70.3-77.600112.1Y188 T195 P196 P197 L203 G204 Y205 L206Y188-M200 HydrophobicContact CE2-CE 4.36Å; T195-M200 HydrophobicContact CG2-CG 3.84Å; T195-M200 HydrophobicContact CG2-SD 4.07Å; P196-M200 PolarHBondContact O-N 2.94Å; P197-M200 WeakPolarHBondContact O-CB 3.35Å; P197-M200 PolarHBondContact O-N 3.26Å; M200-L203 PolarHBondContact O-N 2.92Å; M200-G204 PolarHBondContact O-N 3Å; M200-Y205 HydrophobicContact CE-CD2 4.02Å; M200-Y205 HydrophobicContact CE-CG 4.04Å; M200-Y205 PolarHBondContact O-N 2.85Å; M200-Y205 HydrophobicContact SD-CD2 3.97Å; M200-L206 HydrophobicContact CB-CB 4.49Å; M200-L206 HydrophobicContact CB-CD1 3.68Å; M200-L206 HydrophobicContact CB-CG 3.91Å; M200-L206 HydrophobicContact CG-CD1 4.43Å
201W89.6Confident90.2Very high115 Ų11567.8 Ų67.844%0.43636%0.362SS..Hα-helixtrans-59.6-48.4170.3172.554.9000112.6P197 F199 L203 G204 F208 S211P197-W201 PolarHBondContact O-N 3.32Å; F199-W201 VanDerWaalsContact C-N 3.31Å; F199-W201 PolarHBondContact O-N 3.1Å; W201-L203 PolarHBondContact O-N 3.05Å; W201-G204 PolarHBondContact O-N 2.93Å; W201-F208 HydrophobicContact CD2-CD2 4.28Å; W201-F208 AromaticContact CE2-CD2 3.95Å; W201-F208 HydrophobicContact CH2-CD2 4.48Å; W201-F208 HydrophobicContact CZ2-CD2 4.06Å; W201-S211 WeakPolarHBondContact CB-OG 3.46Å
202L89.8Confident90.2Very high125 Ų12566 Ų6665%0.65435%0.353SS*.Hα-helixtrans-60.8-30.3179.8-71.6169.6000112.7G198 F199 G204G198-L202 WeakPolarHBondContact O-CG 3.31Å; G198-L202 PolarHBondContact O-N 3.49Å; F199-L202 PolarHBondContact O-N 3.24Å; L202-G204 VanDerWaalsContact C-N 3.32Å
203L92Very high90.3Very high97 Ų9766.1 Ų66.151%0.50835%0.353SS..THydrogen-bonded Turntrans-83.4-5175.4-63.8179.6000113.8F199 M200 W201 Y205F199-L203 HydrophobicContact CD1-CD1 3.98Å; F199-L203 HydrophobicContact CE1-CD1 3.56Å; F199-L203 HydrophobicContact CE1-CG 4.32Å; F199-L203 HydrophobicContact CZ-CD1 4.03Å; F199-L203 HydrophobicContact CZ-CG 4.44Å; F199-L203 WeakPolarHBondContact O-CG 3.45Å; F199-L203 PolarHBondContact O-N 3.4Å; F199-L203 VanDerWaalsContact O-N 3.16Å; M200-L203 PolarHBondContact O-N 2.92Å; W201-L203 PolarHBondContact O-N 3.05Å; L203-Y205 HydrophobicContact CB-CD2 3.56Å; L203-Y205 HydrophobicContact CB-CE2 3.71Å; L203-Y205 HydrophobicContact CD1-CD2 4.12Å; L203-Y205 HydrophobicContact CD1-CE2 3.84Å; L203-Y205 HydrophobicContact CG-CE2 4.43Å
204G89.6Confident90.6Very high66 Ų6664.6 Ų64.668%0.6835%0.345SS*.THydrogen-bonded Turntrans80.111.8-179.600000115.1M200 W201 L202M200-G204 PolarHBondContact O-N 3Å; W201-G204 PolarHBondContact O-N 2.93Å; L202-G204 VanDerWaalsContact C-N 3.32Å
205Y89.9Confident90.7Very high141 Ų14161.6 Ų61.655%0.55333%0.331SS*.SBendtrans-79.8-24.1177.8-68.7-61.3000113.7Y188 M200 L203Y188-Y205 PolarHBondContact OH-O 3.1Å; M200-Y205 HydrophobicContact CE-CD2 4.02Å; M200-Y205 HydrophobicContact CE-CG 4.04Å; M200-Y205 PolarHBondContact O-N 2.85Å; M200-Y205 HydrophobicContact SD-CD2 3.97Å; L203-Y205 HydrophobicContact CB-CD2 3.56Å; L203-Y205 HydrophobicContact CB-CE2 3.71Å; L203-Y205 HydrophobicContact CD1-CD2 4.12Å; L203-Y205 HydrophobicContact CD1-CE2 3.84Å; L203-Y205 HydrophobicContact CG-CE2 4.43Å
206L91.8Very high91.1Very high8 Ų860.3 Ų60.34%0.04232%0.323CS..SBendtrans-130.6148.2-179.5-64.3-179.7000110.4W184 C192 M200 Q210 S211 F214W184-L206 HydrophobicContact CH2-CD2 3.43Å; W184-L206 VanDerWaalsContact CH2-CD2 3.43Å; W184-L206 HydrophobicContact CZ2-CD2 4.41Å; W184-L206 HydrophobicContact CZ3-CD2 3.92Å; C192-L206 HydrophobicContact CB-CD1 4.32Å; M200-L206 HydrophobicContact CB-CB 4.49Å; M200-L206 HydrophobicContact CB-CD1 3.68Å; M200-L206 HydrophobicContact CB-CG 3.91Å; M200-L206 HydrophobicContact CG-CD1 4.43Å; L206-Q210 HydrophobicContact CB-CB 4.36Å; L206-Q210 HydrophobicContact CD2-CB 4.45Å; L206-S211 VanDerWaalsContact CB-OG 3.3Å; L206-S211 WeakPolarHBondContact CB-OG 3.44Å; L206-F214 HydrophobicContact CD1-CD2 3.93Å; L206-F214 HydrophobicContact CD1-CE2 4.33Å; L206-F214 HydrophobicContact CD2-CD2 4.43Å; L206-F214 HydrophobicContact CD2-CE2 4.04Å
207T93.3Very high91.5Very high74 Ų7456.1 Ų56.145%0.45430%0.295SS..  trans-71.4163.116674.50000110.7I209 Q210 S211T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 PolarHBondContact O-N 3.46Å; T207-Q210 PolarHBondContact O-N 3.37Å; T207-Q210 WeakPolarHBondContact OG1-CB 2.98Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.33Å; T207-Q210 PolarHBondContact OG1-N 3.17Å; T207-S211 WeakPolarHBondContact O-CB 3.46Å; T207-S211 PolarHBondContact O-N 3.41Å; T207-S211 PolarHBondContact O-OG 3.33Å
208F92.3Very high92.1Very high117 Ų11757.2 Ų57.251%0.51330%0.303SS..Hα-helixtrans-58.1-44.9177.7-178.4-108.3000112.1W201 S211 I212W201-F208 HydrophobicContact CD2-CD2 4.28Å; W201-F208 AromaticContact CE2-CD2 3.95Å; W201-F208 HydrophobicContact CH2-CD2 4.48Å; W201-F208 HydrophobicContact CZ2-CD2 4.06Å; F208-S211 PolarHBondContact O-N 2.97Å; F208-I212 HydrophobicContact CD1-CD1 3.9Å; F208-I212 HydrophobicContact CE1-CD1 3.39Å; F208-I212 HydrophobicContact CE1-CG1 4.46Å; F208-I212 HydrophobicContact CE2-CD1 4.37Å; F208-I212 HydrophobicContact CZ-CD1 3.67Å; F208-I212 HydrophobicContact CZ-CG1 4.46Å; F208-I212 WeakPolarHBondContact O-CG1 3.25Å; F208-I212 PolarHBondContact O-N 3.33Å; F208-I212 VanDerWaalsContact O-N 3.07Å
209I92.2Very high92.6Very high84 Ų8458.6 Ų58.643%0.43130%0.301SS..Hα-helixtrans-65.2-45.4178.7-62.4176.5000110.9F55 Y179 T207 S211 I212 L213F55-I209 HydrophobicContact CE2-CG2 4.11Å; F55-I209 HydrophobicContact CZ-CG2 3.83Å; Y179-I209 WeakPolarHBondContact OH-CG2 3.3Å; T207-I209 VanDerWaalsContact C-N 3.33Å; T207-I209 PolarHBondContact O-N 3.46Å; I209-S211 PolarHBondContact O-N 3.01Å; I209-I212 WeakPolarHBondContact O-CB 3.49Å; I209-I212 PolarHBondContact O-N 3.04Å; I209-I212 VanDerWaalsContact O-N 3.15Å; I209-L213 HydrophobicContact CG2-CD1 4.07Å; I209-L213 HydrophobicContact CG2-CG 4.39Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.47Å
210Q93.5Very high93.1Very high26 Ų2653.1 Ų53.112%0.12128%0.277CS..Hα-helixtrans-57.6-39.7176.8-72.6172.7-17.700111.6Y179 F180 L206 T207 L213 F214Y179-Q210 HydrophobicContact CE1-CG 4.15Å; F180-Q210 HydrophobicContact CD1-CG 4.36Å; F180-Q210 HydrophobicContact CE1-CB 4.08Å; F180-Q210 HydrophobicContact CE1-CG 3.75Å; L206-Q210 HydrophobicContact CB-CB 4.36Å; L206-Q210 HydrophobicContact CD2-CB 4.45Å; T207-Q210 PolarHBondContact O-N 3.37Å; T207-Q210 WeakPolarHBondContact OG1-CB 2.98Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.33Å; T207-Q210 PolarHBondContact OG1-N 3.17Å; Q210-L213 PolarHBondContact O-N 3.05Å; Q210-F214 WeakPolarHBondContact O-CD2 3.48Å; Q210-F214 PolarHBondContact O-N 3.35Å
211S93.8Very high93.5Very high8 Ų854.2 Ų54.26%0.05629%0.285CS..Hα-helixtrans-67.3-38.7179.3-55.30000112.3P197 W201 L206 T207 F208 I209 L215P197-S211 WeakPolarHBondContact CB-O 3.48Å; P197-S211 PolarHBondContact O-OG 3.29Å; W201-S211 WeakPolarHBondContact CB-OG 3.46Å; L206-S211 VanDerWaalsContact CB-OG 3.3Å; L206-S211 WeakPolarHBondContact CB-OG 3.44Å; T207-S211 WeakPolarHBondContact O-CB 3.46Å; T207-S211 PolarHBondContact O-N 3.41Å; T207-S211 PolarHBondContact O-OG 3.33Å; F208-S211 PolarHBondContact O-N 2.97Å; I209-S211 PolarHBondContact O-N 3.01Å; S211-L215 VanDerWaalsContact O-CB 3.29Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 2.94Å
212I93.7Very high93.9Very high51 Ų5153.4 Ų53.426%0.26229%0.288SS..Hα-helixtrans-62.2-46.5171.7-71.5174.7000110.7Y47 F208 I209 L215 T216Y47-I212 WeakPolarHBondContact OH-CG2 3.33Å; F208-I212 HydrophobicContact CD1-CD1 3.9Å; F208-I212 HydrophobicContact CE1-CD1 3.39Å; F208-I212 HydrophobicContact CE1-CG1 4.46Å; F208-I212 HydrophobicContact CE2-CD1 4.37Å; F208-I212 HydrophobicContact CZ-CD1 3.67Å; F208-I212 HydrophobicContact CZ-CG1 4.46Å; F208-I212 WeakPolarHBondContact O-CG1 3.25Å; F208-I212 PolarHBondContact O-N 3.33Å; F208-I212 VanDerWaalsContact O-N 3.07Å; I209-I212 WeakPolarHBondContact O-CB 3.49Å; I209-I212 PolarHBondContact O-N 3.04Å; I209-I212 VanDerWaalsContact O-N 3.15Å; I212-L215 PolarHBondContact O-N 3.45Å; I212-T216 WeakPolarHBondContact O-CB 3.33Å; I212-T216 PolarHBondContact O-N 3.41Å; I212-T216 PolarHBondContact O-OG1 3.46Å; I212-T216 VanDerWaalsContact O-OG1 3.08Å
213L95.3Very high94.2Very high1 Ų149.8 Ų49.81%0.00527%0.269CS..Hα-helixtrans-61.6-48-179.4-67.9169000111.6L51 F55 L173 Y179 F180 I209 Q210 L215 T216 T217L51-L213 HydrophobicContact CD1-CD2 4.31Å; L51-L213 HydrophobicContact CD2-CD2 4.4Å; F55-L213 HydrophobicContact CD1-CD2 3.87Å; F55-L213 HydrophobicContact CE1-CD1 3.6Å; F55-L213 HydrophobicContact CE1-CD2 3.75Å; F55-L213 HydrophobicContact CE1-CG 4.22Å; F55-L213 HydrophobicContact CZ-CD1 4.08Å; L173-L213 HydrophobicContact CD2-CD1 4.13Å; L173-L213 HydrophobicContact CD2-CD2 3.98Å; Y179-L213 HydrophobicContact CD1-CD1 4.11Å; Y179-L213 HydrophobicContact CE1-CD1 3.37Å; F180-L213 HydrophobicContact CZ-CD1 4.47Å; I209-L213 HydrophobicContact CG2-CD1 4.07Å; I209-L213 HydrophobicContact CG2-CG 4.39Å; I209-L213 WeakPolarHBondContact O-CG 3.44Å; I209-L213 PolarHBondContact O-N 3.47Å; Q210-L213 PolarHBondContact O-N 3.05Å; L213-L215 PolarHBondContact O-N 2.88Å; L213-T216 PolarHBondContact O-N 2.68Å; L213-T217 WeakPolarHBondContact O-CB 3.45Å; L213-T217 PolarHBondContact O-N 3.31Å; L213-T217 PolarHBondContact O-OG1 3.44Å
214F95.6Very high94.5Very high0 Ų046.1 Ų46.10%025%0.251CS..Hα-helixtrans-61.3-44.3176.5-78.7-63.5000112.1V174 F180 W184 C192 M193 P197 L206 Q210 T216 T217 C218V174-F214 HydrophobicContact CG1-CD1 4.49Å; V174-F214 HydrophobicContact CG1-CE1 3.74Å; V174-F214 HydrophobicContact CG2-CD1 4.48Å; V174-F214 HydrophobicContact CG2-CE1 4.31Å; F180-F214 HydrophobicContact CD1-CE2 4.15Å; F180-F214 HydrophobicContact CD1-CZ 4.12Å; F180-F214 HydrophobicContact CE1-CD2 4.25Å; F180-F214 AromaticContact CE1-CE2 3.39Å; F180-F214 HydrophobicContact CE1-CE2 3.39Å; F180-F214 AromaticContact CE1-CZ 3.62Å; F180-F214 HydrophobicContact CE1-CZ 3.62Å; F180-F214 HydrophobicContact CE2-CZ 4.37Å; F180-F214 HydrophobicContact CZ-CD2 4.36Å; F180-F214 HydrophobicContact CZ-CE1 4.39Å; F180-F214 AromaticContact CZ-CE2 3.76Å; F180-F214 HydrophobicContact CZ-CE2 3.76Å; F180-F214 AromaticContact CZ-CZ 3.77Å; F180-F214 HydrophobicContact CZ-CZ 3.77Å; W184-F214 AromaticContact CZ3-CE2 3.97Å; W184-F214 HydrophobicContact CZ3-CE2 3.97Å; W184-F214 HydrophobicContact CZ3-CZ 4.05Å; C192-F214 HydrophobicContact CB-CD1 4.04Å; C192-F214 HydrophobicContact CB-CD2 3.92Å; C192-F214 HydrophobicContact CB-CE1 3.91Å; C192-F214 HydrophobicContact CB-CE2 3.79Å; C192-F214 HydrophobicContact CB-CG 4.06Å; C192-F214 HydrophobicContact CB-CZ 3.79Å; M193-F214 HydrophobicContact CG-CD1 3.66Å; M193-F214 HydrophobicContact CG-CE1 4.18Å; P197-F214 HydrophobicContact CB-CB 4.04Å; P197-F214 HydrophobicContact CG-CB 3.9Å; L206-F214 HydrophobicContact CD1-CD2 3.93Å; L206-F214 HydrophobicContact CD1-CE2 4.33Å; L206-F214 HydrophobicContact CD2-CD2 4.43Å; L206-F214 HydrophobicContact CD2-CE2 4.04Å; Q210-F214 WeakPolarHBondContact O-CD2 3.48Å; Q210-F214 PolarHBondContact O-N 3.35Å; F214-T216 PolarHBondContact O-N 2.98Å; F214-T217 PolarHBondContact O-N 2.96Å; F214-C218 PolarHBondContact O-N 3.44Å; F214-C218 PolarHBondContact O-SG 2.99Å
215L94Very high95Very high83 Ų8346.3 Ų46.344%0.43524%0.241SC..Hα-helixtrans-60.5-48.4178.317962.1000111P197 S211 I212 L213 C218 L219P197-L215 HydrophobicContact CB-CB 4.42Å; P197-L215 HydrophobicContact CG-CB 4.08Å; S211-L215 VanDerWaalsContact O-CB 3.29Å; S211-L215 WeakPolarHBondContact O-CB 3.32Å; S211-L215 PolarHBondContact O-N 2.94Å; I212-L215 PolarHBondContact O-N 3.45Å; L213-L215 PolarHBondContact O-N 2.88Å; L215-C218 PolarHBondContact O-N 2.88Å; L215-L219 HydrophobicContact CD1-CD1 4.08Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.42Å
216T95.7Very high95.3Very high5 Ų544.7 Ų44.73%0.03124%0.241CC..Hα-helixtrans-66-40.8-179.5-61.30000111.7Y47 L48 L51 I212 L213 F214 C218 L219 L220Y47-T216 HydrophobicContact CE1-CG2 4.38Å; Y47-T216 PolarHBondContact OH-OG1 3.07Å; L48-T216 HydrophobicContact CD2-CG2 3.45Å; L48-T216 VanDerWaalsContact CD2-CG2 3.45Å; L51-T216 HydrophobicContact CD2-CG2 3.75Å; I212-T216 WeakPolarHBondContact O-CB 3.33Å; I212-T216 PolarHBondContact O-N 3.41Å; I212-T216 PolarHBondContact O-OG1 3.46Å; I212-T216 VanDerWaalsContact O-OG1 3.08Å; L213-T216 PolarHBondContact O-N 2.68Å; F214-T216 PolarHBondContact O-N 2.98Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3Å; T216-L219 PolarHBondContact O-N 3.29Å; T216-L220 HydrophobicContact CG2-CD1 3.81Å; T216-L220 HydrophobicContact CG2-CG 4.19Å; T216-L220 VanDerWaalsContact O-CB 3.26Å; T216-L220 WeakPolarHBondContact O-CB 3.02Å; T216-L220 WeakPolarHBondContact O-CG 3.32Å; T216-L220 PolarHBondContact O-N 3.43Å
217T96.4Very high95.6Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-59.3-43.4174.6-60.20000111.8H170 L171 V174 M193 L213 F214 T221H170-T217 HydrophobicContact CB-CG2 4.1Å; H170-T217 WeakPolarHBondContact CB-OG1 3.27Å; H170-T217 PolarHBondContact ND1-OG1 3.06Å; L171-T217 HydrophobicContact CD2-CG2 3.88Å; L171-T217 HydrophobicContact CG-CG2 4.43Å; V174-T217 HydrophobicContact CG2-CG2 4.31Å; M193-T217 HydrophobicContact CE-CG2 3.95Å; L213-T217 WeakPolarHBondContact O-CB 3.45Å; L213-T217 PolarHBondContact O-N 3.31Å; L213-T217 PolarHBondContact O-OG1 3.44Å; F214-T217 PolarHBondContact O-N 2.96Å; T217-T221 WeakPolarHBondContact O-CB 3.48Å; T217-T221 PolarHBondContact O-N 3.32Å; T217-T221 PolarHBondContact O-OG1 3.39Å
218C95.4Very high95.9Very high31 Ų3148 Ų4821%0.20925%0.251CS..Hα-helixtrans-67-45.6178.4-64.30000112.2M193 F214 L215 T216 T221 L222M193-C218 VanDerWaalsContact C-SG 3.6Å; M193-C218 WeakPolarHBondContact CA-SG 3.43Å; M193-C218 WeakPolarHBondContact CB-SG 3.41Å; M193-C218 PolarHBondContact O-SG 2.87Å; F214-C218 PolarHBondContact O-N 3.44Å; F214-C218 PolarHBondContact O-SG 2.99Å; L215-C218 PolarHBondContact O-N 2.88Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3Å; C218-T221 PolarHBondContact O-N 3.25Å; C218-L222 WeakPolarHBondContact O-CB 3.16Å; C218-L222 PolarHBondContact O-N 3.38Å
219L95.6Very high96.2Very high67 Ų6746.9 Ų46.935%0.35125%0.253SS..Hα-helixtrans-63.2-44.8178.1-69.9176.3000111.4L215 T216 L222 I223L215-L219 HydrophobicContact CD1-CD1 4.08Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 4.03Å; L215-L219 WeakPolarHBondContact O-CG 3.36Å; L215-L219 PolarHBondContact O-N 3.42Å; T216-L219 PolarHBondContact O-N 3.29Å; L219-L222 PolarHBondContact O-N 2.89Å; L219-I223 WeakPolarHBondContact O-CB 3.42Å; L219-I223 WeakPolarHBondContact O-CD1 3.33Å; L219-I223 WeakPolarHBondContact O-CG1 3.17Å; L219-I223 PolarHBondContact O-N 3.49Å
220L97.5Very high96.4Very high1 Ų145.5 Ų45.51%0.00524%0.244CC..Hα-helixtrans-60.7-45.6176.4-81.6172000112L48 M166 T167 T216 I223 T224L48-L220 HydrophobicContact CD1-CD2 3.87Å; L48-L220 HydrophobicContact CD2-CD1 4.34Å; L48-L220 HydrophobicContact CD2-CD2 4.14Å; L48-L220 HydrophobicContact CD2-CG 4.19Å; M166-L220 HydrophobicContact CB-CD1 3.81Å; M166-L220 HydrophobicContact CB-CD2 4.08Å; M166-L220 HydrophobicContact CE-CD2 3.9Å; M166-L220 HydrophobicContact SD-CD2 4.49Å; T167-L220 WeakPolarHBondContact OG1-CB 3.48Å; T167-L220 PolarHBondContact OG1-O 3.47Å; T216-L220 HydrophobicContact CG2-CD1 3.81Å; T216-L220 HydrophobicContact CG2-CG 4.19Å; T216-L220 VanDerWaalsContact O-CB 3.26Å; T216-L220 WeakPolarHBondContact O-CB 3.02Å; T216-L220 WeakPolarHBondContact O-CG 3.32Å; T216-L220 PolarHBondContact O-N 3.43Å; L220-I223 PolarHBondContact O-N 3.37Å; L220-T224 VanDerWaalsContact O-CB 3.31Å; L220-T224 WeakPolarHBondContact O-CB 3.26Å; L220-T224 PolarHBondContact O-N 2.95Å; L220-T224 PolarHBondContact O-OG1 3.34Å
221T97Very high96.6Very high39 Ų3946.4 Ų46.424%0.23925%0.25CC..Hα-helixtrans-61.9-47178.6-55.80000110.6T167 T217 C218 T224 C225T167-T221 HydrophobicContact CG2-CG2 4.47Å; T167-T221 WeakPolarHBondContact CG2-OG1 3.42Å; T217-T221 WeakPolarHBondContact O-CB 3.48Å; T217-T221 PolarHBondContact O-N 3.32Å; T217-T221 PolarHBondContact O-OG1 3.39Å; C218-T221 PolarHBondContact O-N 3.25Å; T221-T224 PolarHBondContact O-N 3.13Å; T221-C225 PolarHBondContact O-N 2.77Å; T221-C225 PolarHBondContact O-SG 2.88Å; T221-C225 VanDerWaalsContact O-SG 3.33Å
222L96.8Very high96.7Very high97 Ų9750.4 Ų50.451%0.50827%0.27SS..Hα-helixtrans-61.6-48.3177.8178.863.1000111.8C218 L219 T224 C225 L226C218-L222 WeakPolarHBondContact O-CB 3.16Å; C218-L222 PolarHBondContact O-N 3.38Å; L219-L222 PolarHBondContact O-N 2.89Å; L222-T224 VanDerWaalsContact C-N 3.32Å; L222-T224 PolarHBondContact O-N 3.3Å; L222-C225 PolarHBondContact O-N 2.93Å; L222-L226 HydrophobicContact CD1-CD1 4.05Å; L222-L226 HydrophobicContact CD1-CG 4.17Å; L222-L226 HydrophobicContact CG-CD1 3.96Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.14Å; L222-L226 PolarHBondContact O-N 2.78Å
223I97.7Very high96.8Very high49 Ų4951.5 Ų51.525%0.25127%0.271SS..Hα-helixtrans-60.9-43.2179-70.4166.3000110.4F44 C163 L219 L220 C225 L226 L227F44-I223 HydrophobicContact CE1-CD1 3.84Å; F44-I223 HydrophobicContact CZ-CD1 4.03Å; C163-I223 HydrophobicContact CB-CG2 4.42Å; L219-I223 WeakPolarHBondContact O-CB 3.42Å; L219-I223 WeakPolarHBondContact O-CD1 3.33Å; L219-I223 WeakPolarHBondContact O-CG1 3.17Å; L219-I223 PolarHBondContact O-N 3.49Å; L220-I223 PolarHBondContact O-N 3.37Å; I223-C225 PolarHBondContact O-N 2.89Å; I223-L226 PolarHBondContact O-N 2.88Å; I223-L227 HydrophobicContact CG2-CD1 3.74Å; I223-L227 HydrophobicContact CG2-CG 4.14Å; I223-L227 WeakPolarHBondContact O-CB 3.37Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 3.48Å
224T98.5Very high96.8Very high20 Ų2051.6 Ų51.612%0.12327%0.271CS..Hα-helixtrans-58.7-49177.4-59.90000111.3L160 C163 A164 T167 L220 T221 L222 L227 F228L160-T224 HydrophobicContact CD1-CG2 3.96Å; C163-T224 VanDerWaalsContact CB-OG1 3.25Å; C163-T224 WeakPolarHBondContact CB-OG1 3.22Å; C163-T224 PolarHBondContact O-OG1 3.39Å; A164-T224 HydrophobicContact CB-CG2 3.87Å; T167-T224 PolarHBondContact OG1-OG1 3.38Å; L220-T224 VanDerWaalsContact O-CB 3.31Å; L220-T224 WeakPolarHBondContact O-CB 3.26Å; L220-T224 PolarHBondContact O-N 2.95Å; L220-T224 PolarHBondContact O-OG1 3.34Å; T221-T224 PolarHBondContact O-N 3.13Å; L222-T224 VanDerWaalsContact C-N 3.32Å; L222-T224 PolarHBondContact O-N 3.3Å; T224-L227 PolarHBondContact O-N 2.85Å; T224-F228 WeakPolarHBondContact O-CB 3.31Å; T224-F228 PolarHBondContact O-N 3.35Å
225C98.3Very high96.8Very high71 Ų7156.4 Ų56.448%0.4829%0.292SS..Hα-helixtrans-62.4-44.4177.6-670000112.2T221 L222 I223 F228 V229T221-C225 PolarHBondContact O-N 2.77Å; T221-C225 PolarHBondContact O-SG 2.88Å; T221-C225 VanDerWaalsContact O-SG 3.33Å; L222-C225 PolarHBondContact O-N 2.93Å; I223-C225 PolarHBondContact O-N 2.89Å; C225-F228 PolarHBondContact O-N 3Å; C225-V229 WeakPolarHBondContact O-CG2 3.3Å; C225-V229 PolarHBondContact O-N 3.39Å
226L98Very high96.8Very high106 Ų10656.1 Ų56.156%0.55529%0.291SS*.Hα-helixtrans-64.8-42.4179.1-70.2175.8000112L222 I223 F228 V229 F230L222-L226 HydrophobicContact CD1-CD1 4.05Å; L222-L226 HydrophobicContact CD1-CG 4.17Å; L222-L226 HydrophobicContact CG-CD1 3.96Å; L222-L226 HydrophobicContact CG-CG 4.45Å; L222-L226 WeakPolarHBondContact O-CB 3.49Å; L222-L226 VanDerWaalsContact O-CG 3.3Å; L222-L226 WeakPolarHBondContact O-CG 3.14Å; L222-L226 PolarHBondContact O-N 2.78Å; I223-L226 PolarHBondContact O-N 2.88Å; L226-F228 VanDerWaalsContact C-N 3.35Å; L226-V229 PolarHBondContact O-N 3.1Å; L226-F230 WeakPolarHBondContact O-CB 3.23Å; L226-F230 PolarHBondContact O-N 2.97Å
227L98.1Very high96.8Very high33 Ų3355.9 Ų55.917%0.17329%0.29CS..Hα-helixtrans-64.1-40.4175.7-74.2176.3000111.7L156 L160 I223 T224 F230 I231L156-L227 HydrophobicContact CD2-CD2 4.14Å; L160-L227 HydrophobicContact CB-CB 4.31Å; L160-L227 HydrophobicContact CD1-CB 4.2Å; I223-L227 HydrophobicContact CG2-CD1 3.74Å; I223-L227 HydrophobicContact CG2-CG 4.14Å; I223-L227 WeakPolarHBondContact O-CB 3.37Å; I223-L227 VanDerWaalsContact O-CG 3.3Å; I223-L227 WeakPolarHBondContact O-CG 3.3Å; I223-L227 PolarHBondContact O-N 3.48Å; T224-L227 PolarHBondContact O-N 2.85Å; L227-F230 PolarHBondContact O-N 2.96Å; L227-I231 WeakPolarHBondContact O-CB 3.3Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.42Å; L227-I231 PolarHBondContact O-N 2.87Å
228F98.2Very high96.6Very high118 Ų11856.3 Ų56.352%0.51829%0.292SS..Hα-helixtrans-60.9-49.3176.9-177.8-104.2000111.7L160 T224 C225 L226 F230 I231 I232L160-F228 HydrophobicContact CD1-CB 4.08Å; L160-F228 HydrophobicContact CD2-CD2 4.13Å; T224-F228 WeakPolarHBondContact O-CB 3.31Å; T224-F228 PolarHBondContact O-N 3.35Å; C225-F228 PolarHBondContact O-N 3Å; L226-F228 VanDerWaalsContact C-N 3.35Å; F228-F230 VanDerWaalsContact C-N 3.34Å; F228-F230 PolarHBondContact O-N 3.41Å; F228-I231 PolarHBondContact O-N 3.29Å; F228-I232 HydrophobicContact CD1-CD1 3.9Å; F228-I232 HydrophobicContact CE1-CD1 3.49Å; F228-I232 VanDerWaalsContact CE1-CD1 3.49Å; F228-I232 HydrophobicContact CE2-CD1 4.45Å; F228-I232 HydrophobicContact CZ-CD1 3.81Å; F228-I232 WeakPolarHBondContact O-CG1 3.38Å; F228-I232 PolarHBondContact O-N 2.87Å
229V98.1Very high96.6Very high94 Ų9456.9 Ų56.957%0.5729%0.294SS*.Hα-helixtrans-62.1-42.9176.4173.90000111.1C225 L226 I232 Y233C225-V229 WeakPolarHBondContact O-CG2 3.3Å; C225-V229 PolarHBondContact O-N 3.39Å; L226-V229 PolarHBondContact O-N 3.1Å; V229-I232 PolarHBondContact O-N 3.1Å; V229-Y233 PolarHBondContact O-N 3.36Å
230F96.9Very high96.4Very high55 Ų5555.3 Ų55.324%0.24129%0.287CS..Hα-helixtrans-65.6-39.5-179.2-173.3-120.3000112.4F152 L156 L226 L227 F228 I232 Y233 E234 M244F152-F230 AromaticContact CE1-CE1 3.96Å; F152-F230 HydrophobicContact CE1-CE1 3.96Å; F152-F230 HydrophobicContact CE1-CZ 4.19Å; F152-F230 AromaticContact CZ-CE1 3.67Å; F152-F230 HydrophobicContact CZ-CE1 3.67Å; F152-F230 HydrophobicContact CZ-CZ 4.02Å; L156-F230 HydrophobicContact CD1-CD1 3.75Å; L156-F230 HydrophobicContact CD1-CE1 3.6Å; L156-F230 HydrophobicContact CD2-CD1 3.77Å; L156-F230 HydrophobicContact CD2-CE1 3.79Å; L156-F230 HydrophobicContact CG-CD1 4.41Å; L156-F230 HydrophobicContact CG-CE1 4.33Å; L226-F230 WeakPolarHBondContact O-CB 3.23Å; L226-F230 PolarHBondContact O-N 2.97Å; L227-F230 PolarHBondContact O-N 2.96Å; F228-F230 VanDerWaalsContact C-N 3.34Å; F228-F230 PolarHBondContact O-N 3.41Å; F230-I232 PolarHBondContact O-N 3.41Å; F230-Y233 HydrophobicContact CD2-CD1 4.42Å; F230-Y233 HydrophobicContact CE2-CD1 4.37Å; F230-Y233 WeakPolarHBondContact O-CB 3.44Å; F230-Y233 PolarHBondContact O-N 2.85Å; F230-E234 HydrophobicContact CD1-CG 4.41Å; F230-E234 HydrophobicContact CD2-CG 4.47Å; F230-E234 HydrophobicContact CE1-CG 4.02Å; F230-E234 HydrophobicContact CE2-CG 4.08Å; F230-E234 VanDerWaalsContact CE2-OE1 3.29Å; F230-E234 WeakPolarHBondContact CE2-OE1 3.38Å; F230-E234 HydrophobicContact CZ-CG 3.83Å; F230-E234 VanDerWaalsContact CZ-OE1 3.28Å; F230-E234 WeakPolarHBondContact CZ-OE1 3.28Å; F230-E234 WeakPolarHBondContact O-CG 3.48Å; F230-E234 PolarHBondContact O-N 3.46Å; F230-M244 HydrophobicContact CE2-CE 4.39Å; F230-M244 HydrophobicContact CE2-SD 4.21Å; F230-M244 HydrophobicContact CZ-SD 4.36Å
231I97.1Very high96.2Very high45 Ų4555.2 Ų55.223%0.23129%0.287CS..Hα-helixtrans-62.5-42.4174.7-75.3167.9000111.5L156 L160 L227 F228 Y233 E234 F235L156-I231 HydrophobicContact CB-CD1 4.03Å; L156-I231 HydrophobicContact CB-CG1 3.8Å; L156-I231 HydrophobicContact CD1-CG1 4.28Å; L160-I231 HydrophobicContact CB-CD1 3.76Å; L160-I231 HydrophobicContact CD2-CD1 3.65Å; L160-I231 HydrophobicContact CG-CD1 4.31Å; L227-I231 WeakPolarHBondContact O-CB 3.3Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.42Å; L227-I231 PolarHBondContact O-N 2.87Å; F228-I231 PolarHBondContact O-N 3.29Å; I231-Y233 VanDerWaalsContact C-N 3.27Å; I231-Y233 PolarHBondContact O-N 3.4Å; I231-E234 PolarHBondContact O-N 3.38Å; I231-F235 VanDerWaalsContact O-CB 3.31Å; I231-F235 WeakPolarHBondContact O-CB 3.39Å; I231-F235 PolarHBondContact O-N 2.75Å
232I97.2Very high96Very high93 Ų9354.5 Ų54.548%0.47728%0.281SS..Hα-helixtrans-59.8-43.2176.1-68.7165.9000110.4F228 V229 F230 F235 N236F228-I232 HydrophobicContact CD1-CD1 3.9Å; F228-I232 HydrophobicContact CE1-CD1 3.49Å; F228-I232 VanDerWaalsContact CE1-CD1 3.49Å; F228-I232 HydrophobicContact CE2-CD1 4.45Å; F228-I232 HydrophobicContact CZ-CD1 3.81Å; F228-I232 WeakPolarHBondContact O-CG1 3.38Å; F228-I232 PolarHBondContact O-N 2.87Å; V229-I232 PolarHBondContact O-N 3.1Å; F230-I232 PolarHBondContact O-N 3.41Å; I232-F235 PolarHBondContact O-N 3.44Å; I232-N236 PolarHBondContact O-N 2.9Å
233Y96.1Very high95.8Very high74 Ų7449.9 Ų49.929%0.2926%0.257SS..Hα-helixtrans-63.4-47.6178177-100.4000112.4V229 F230 I231 F235 N236 L237 M244V229-Y233 PolarHBondContact O-N 3.36Å; F230-Y233 HydrophobicContact CD2-CD1 4.42Å; F230-Y233 HydrophobicContact CE2-CD1 4.37Å; F230-Y233 WeakPolarHBondContact O-CB 3.44Å; F230-Y233 PolarHBondContact O-N 2.85Å; I231-Y233 VanDerWaalsContact C-N 3.27Å; I231-Y233 PolarHBondContact O-N 3.4Å; Y233-F235 VanDerWaalsContact C-N 3.31Å; Y233-F235 PolarHBondContact O-N 3.11Å; Y233-N236 WeakPolarHBondContact O-CB 3.35Å; Y233-N236 PolarHBondContact O-N 2.92Å; Y233-L237 HydrophobicContact CD1-CD1 3.9Å; Y233-L237 HydrophobicContact CE1-CD1 3.36Å; Y233-L237 HydrophobicContact CE1-CG 4.17Å; Y233-L237 PolarHBondContact O-N 2.94Å; Y233-M244 HydrophobicContact CE1-CE 3.97Å; Y233-M244 HydrophobicContact CE1-CG 4Å; Y233-M244 HydrophobicContact CE1-SD 4.41Å
234E94.8Very high95.5Very high2 Ų249.5 Ų49.51%0.00926%0.255CS..Hα-helixtrans-63.3-36.6175.9-70.5-56.5140.900112.4L156 F230 I231 L237 M238L156-E234 HydrophobicContact CD1-CG 4.12Å; F230-E234 HydrophobicContact CD1-CG 4.41Å; F230-E234 HydrophobicContact CD2-CG 4.47Å; F230-E234 HydrophobicContact CE1-CG 4.02Å; F230-E234 HydrophobicContact CE2-CG 4.08Å; F230-E234 VanDerWaalsContact CE2-OE1 3.29Å; F230-E234 WeakPolarHBondContact CE2-OE1 3.38Å; F230-E234 HydrophobicContact CZ-CG 3.83Å; F230-E234 VanDerWaalsContact CZ-OE1 3.28Å; F230-E234 WeakPolarHBondContact CZ-OE1 3.28Å; F230-E234 WeakPolarHBondContact O-CG 3.48Å; F230-E234 PolarHBondContact O-N 3.46Å; I231-E234 PolarHBondContact O-N 3.38Å; E234-L237 WeakPolarHBondContact O-CB 3.48Å; E234-L237 PolarHBondContact O-N 3.43Å; E234-M238 PolarHBondContact O-N 2.64Å
235F95.2Very high94.9Very high102 Ų10250.6 Ų50.645%0.44726%0.257SS..Hα-helixtrans-65-41.5175.2-171.8-98.9000111.6I231 I232 Y233 L237 M238 V239 I321I231-F235 VanDerWaalsContact O-CB 3.31Å; I231-F235 WeakPolarHBondContact O-CB 3.39Å; I231-F235 PolarHBondContact O-N 2.75Å; I232-F235 PolarHBondContact O-N 3.44Å; Y233-F235 VanDerWaalsContact C-N 3.31Å; Y233-F235 PolarHBondContact O-N 3.11Å; F235-L237 VanDerWaalsContact C-N 3.32Å; F235-L237 PolarHBondContact O-N 2.82Å; F235-M238 HydrophobicContact CB-CE 4.3Å; F235-M238 HydrophobicContact CD2-CE 3.56Å; F235-M238 HydrophobicContact CE2-CE 4.31Å; F235-M238 HydrophobicContact CG-CE 4.32Å; F235-M238 WeakPolarHBondContact O-CB 3.21Å; F235-M238 PolarHBondContact O-N 2.7Å; F235-V239 HydrophobicContact CD1-CG2 4.08Å; F235-V239 HydrophobicContact CE1-CG2 3.72Å; F235-V239 HydrophobicContact CZ-CG2 4.05Å; F235-V239 WeakPolarHBondContact O-CG2 3.32Å; F235-V239 PolarHBondContact O-N 3.3Å; F235-I321 HydrophobicContact CE2-CD1 4.46Å; F235-I321 HydrophobicContact CZ-CD1 4.48Å
236N95Very high94.4Very high77 Ų7748.4 Ų48.441%0.41224%0.24SC..Hα-helixtrans-63.4-37.8174-180-88.1000112.4I232 Y233 V239 T240 R247I232-N236 PolarHBondContact O-N 2.9Å; Y233-N236 WeakPolarHBondContact O-CB 3.35Å; Y233-N236 PolarHBondContact O-N 2.92Å; N236-V239 PolarHBondContact O-N 2.97Å; N236-T240 PolarHBondContact O-N 3.28Å; N236-T240 PolarHBondContact O-OG1 3.24Å; N236-R247 VanDerWaalsContact OD1-CZ 3.31Å; N236-R247 PolarHBondContact OD1-NH1 3.33Å; N236-R247 PolarHBondContact OD1-NH2 3.16Å
237L94.1Very high93.8Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-62.2-45.2172.8-77.3173.8000111.8Y233 E234 F235 V239 T240 N241 Q242 M244 R247Y233-L237 HydrophobicContact CD1-CD1 3.9Å; Y233-L237 HydrophobicContact CE1-CD1 3.36Å; Y233-L237 HydrophobicContact CE1-CG 4.17Å; Y233-L237 PolarHBondContact O-N 2.94Å; E234-L237 WeakPolarHBondContact O-CB 3.48Å; E234-L237 PolarHBondContact O-N 3.43Å; F235-L237 VanDerWaalsContact C-N 3.32Å; F235-L237 PolarHBondContact O-N 2.82Å; L237-V239 PolarHBondContact O-N 2.93Å; L237-T240 CarbonylContact O-C 3.52Å; L237-T240 PolarHBondContact O-N 2.68Å; L237-T240 PolarHBondContact O-OG1 2.87Å; L237-N241 WeakPolarHBondContact O-CA 3.23Å; L237-N241 PolarHBondContact O-N 3.45Å; L237-Q242 WeakPolarHBondContact CB-O 3.47Å; L237-Q242 HydrophobicContact CD2-CB 3.8Å; L237-Q242 PolarHBondContact O-N 3.25Å; L237-M244 HydrophobicContact CD1-CB 4.41Å; L237-M244 HydrophobicContact CD1-CG 3.54Å; L237-R247 HydrophobicContact CD2-CB 4.13Å; L237-R247 VanDerWaalsContact CD2-NE 3.32Å
238M93.9Very high92.9Very high9 Ų948.1 Ų48.14%0.04424%0.237CC..Hα-helixtrans-58.6-48.8174.1-76.8-166-76.700112.3W149 E234 F235 T240 N241 N320 I321 Y324 L325W149-M238 HydrophobicContact CH2-CE 3.79Å; W149-M238 HydrophobicContact CH2-CG 3.06Å; W149-M238 HydrophobicContact CH2-SD 3.17Å; W149-M238 WeakPolarHBondContact CH2-SD 3.35Å; W149-M238 HydrophobicContact CZ2-CG 3.75Å; W149-M238 HydrophobicContact CZ2-SD 4.36Å; W149-M238 HydrophobicContact CZ3-CE 4.23Å; W149-M238 HydrophobicContact CZ3-CG 3.64Å; W149-M238 HydrophobicContact CZ3-SD 3.24Å; W149-M238 WeakPolarHBondContact CZ3-SD 3.46Å; E234-M238 PolarHBondContact O-N 2.64Å; F235-M238 HydrophobicContact CB-CE 4.3Å; F235-M238 HydrophobicContact CD2-CE 3.56Å; F235-M238 HydrophobicContact CE2-CE 4.31Å; F235-M238 HydrophobicContact CG-CE 4.32Å; F235-M238 WeakPolarHBondContact O-CB 3.21Å; F235-M238 PolarHBondContact O-N 2.7Å; M238-T240 PolarHBondContact O-N 3.39Å; M238-N241 PolarHBondContact O-N 2.83Å; M238-N320 VanDerWaalsContact O-CB 3.23Å; M238-N320 WeakPolarHBondContact O-CB 3.39Å; M238-I321 HydrophobicContact CB-CG1 4.39Å; M238-Y324 HydrophobicContact CB-CD2 4.24Å; M238-Y324 HydrophobicContact CG-CD2 3.87Å; M238-Y324 HydrophobicContact CG-CE2 4.4Å; M238-Y324 HydrophobicContact CG-CG 3.95Å; M238-L325 HydrophobicContact SD-CD1 3.79Å; M238-L325 HydrophobicContact SD-CG 4.21Å
239V93.8Very high91.8Very high43 Ų4347 Ų4726%0.26123%0.233SC..Hα-helixtrans-60.5-32.3-177.3168.40000111.5F235 N236 L237 N320 I321F235-V239 HydrophobicContact CD1-CG2 4.08Å; F235-V239 HydrophobicContact CE1-CG2 3.72Å; F235-V239 HydrophobicContact CZ-CG2 4.05Å; F235-V239 WeakPolarHBondContact O-CG2 3.32Å; F235-V239 PolarHBondContact O-N 3.3Å; N236-V239 PolarHBondContact O-N 2.97Å; L237-V239 PolarHBondContact O-N 2.93Å; V239-N320 PolarHBondContact O-ND2 3.42Å; V239-I321 HydrophobicContact CG2-CD1 4.43Å
240T91.6Very high90.3Very high33 Ų3346.6 Ų46.620%0.20222%0.223CC..THydrogen-bonded Turntrans-96.24.4178.857.50000114N236 L237 M238 Q242 R247 S311N236-T240 PolarHBondContact O-N 3.28Å; N236-T240 PolarHBondContact O-OG1 3.24Å; L237-T240 CarbonylContact O-C 3.52Å; L237-T240 PolarHBondContact O-N 2.68Å; L237-T240 PolarHBondContact O-OG1 2.87Å; M238-T240 PolarHBondContact O-N 3.39Å; T240-Q242 PolarHBondContact O-N 3.37Å; T240-R247 PolarHBondContact OG1-NH2 3.24Å; T240-S311 WeakPolarHBondContact O-CB 3.22Å; T240-S311 PolarHBondContact O-OG 2.97Å
241N94Very high88.6Confident0 Ų047.1 Ų47.10%023%0.234CC..THydrogen-bonded Turntrans46.140.7-171.9-1627000114.8R119 L237 M238 Y313 N320 Q323 Y324R119-N241 PolarHBondContact NH1-OD1 2.72Å; R119-N241 PolarHBondContact NH2-O 3.26Å; L237-N241 WeakPolarHBondContact O-CA 3.23Å; L237-N241 PolarHBondContact O-N 3.45Å; M238-N241 PolarHBondContact O-N 2.83Å; N241-Y313 WeakPolarHBondContact CB-O 3.4Å; N241-Y313 WeakPolarHBondContact ND2-CB 3.37Å; N241-Y313 PolarHBondContact ND2-O 2.94Å; N241-N320 HydrophobicContact CB-CB 3.82Å; N241-Q323 PolarHBondContact ND2-NE2 3.5Å; N241-Q323 PolarHBondContact ND2-OE1 3Å; N241-Y324 WeakPolarHBondContact OD1-CE2 3.46Å
242Q92.8Very high86.6Confident24 Ų2451.4 Ų51.411%0.11225%0.251CS..  trans-105.1148.1176.1-68.9-179.7-7.900109.8L237 T240 E246 R247 S311 Y324L237-Q242 WeakPolarHBondContact CB-O 3.47Å; L237-Q242 HydrophobicContact CD2-CB 3.8Å; L237-Q242 PolarHBondContact O-N 3.25Å; T240-Q242 PolarHBondContact O-N 3.37Å; Q242-E246 WeakPolarHBondContact CA-OE2 3.37Å; Q242-R247 VanDerWaalsContact OE1-NH2 3.09Å; Q242-S311 VanDerWaalsContact CG-OG 3.26Å; Q242-S311 WeakPolarHBondContact CG-OG 3.37Å; Q242-Y324 VanDerWaalsContact C-OH 3.23Å; Q242-Y324 PolarHBondContact O-OH 3Å
243T92.5Very high84.7Confident0 Ų050.1 Ų50.10%025%0.245CC..  trans-91.4158.3164.175.60000110.7R132 R133 D134 Y245 E246 R247R132-T243 HydrophobicContact CG-CG2 3.57Å; R133-T243 WeakPolarHBondContact O-CB 3.36Å; R133-T243 PolarHBondContact O-OG1 3.08Å; R133-T243 VanDerWaalsContact O-OG1 3.08Å; D134-T243 WeakPolarHBondContact OD1-CA 3.4Å; D134-T243 WeakPolarHBondContact OD1-CB 3.35Å; T243-Y245 PolarHBondContact O-N 2.85Å; T243-Y245 PolarHBondContact OG1-N 2.91Å; T243-E246 PolarHBondContact N-OE2 3.19Å; T243-E246 PolarHBondContact O-N 3.03Å; T243-E246 VanDerWaalsContact O-N 3.13Å; T243-E246 WeakPolarHBondContact OG1-CG 3.39Å; T243-E246 PolarHBondContact OG1-N 3.42Å; T243-E246 VanDerWaalsContact OG1-N 3.1Å; T243-R247 PolarHBondContact O-N 3.16Å
244M90.5Very high82.9Confident41 Ų4153.1 Ų53.120%0.20226%0.262CS..Hα-helixtrans-51.9-41.9171.2-72.6-165.973.900111.7D134 H135 F230 Y233 L237 T248D134-M244 PolarHBondContact OD1-N 3.26Å; D134-M244 WeakPolarHBondContact OD2-CG 3.5Å; H135-M244 HydrophobicContact CB-SD 4.17Å; H135-M244 PolarHBondContact ND1-SD 3.05Å; H135-M244 VanDerWaalsContact ND1-SD 3.42Å; F230-M244 HydrophobicContact CE2-CE 4.39Å; F230-M244 HydrophobicContact CE2-SD 4.21Å; F230-M244 HydrophobicContact CZ-SD 4.36Å; Y233-M244 HydrophobicContact CE1-CE 3.97Å; Y233-M244 HydrophobicContact CE1-CG 4Å; Y233-M244 HydrophobicContact CE1-SD 4.41Å; L237-M244 HydrophobicContact CD1-CB 4.41Å; L237-M244 HydrophobicContact CD1-CG 3.54Å; M244-T248 WeakPolarHBondContact O-CB 3.37Å; M244-T248 PolarHBondContact O-N 3.39Å; M244-T248 PolarHBondContact O-OG1 3.22Å
245Y87.1Confident80.7Confident42 Ų4256.4 Ų56.417%0.16528%0.284CS..Hα-helixtrans-59.1-53.6175.6-173.2-80.8000111.1H121 D134 T243 R247 T248 F249H121-Y245 HydrophobicContact CB-CD2 4.44Å; H121-Y245 HydrophobicContact CB-CE1 4.2Å; H121-Y245 HydrophobicContact CB-CE2 3.99Å; H121-Y245 AromaticContact CD2-CD1 3.44Å; H121-Y245 VanDerWaalsContact CD2-CD1 3.44Å; H121-Y245 WeakPolarHBondContact CD2-CD1 3.29Å; H121-Y245 AromaticContact CD2-CE1 3.44Å; H121-Y245 VanDerWaalsContact CD2-CE1 3.44Å; H121-Y245 WeakPolarHBondContact CD2-CE1 3.49Å; H121-Y245 AromaticContact CE1-CD1 3.89Å; H121-Y245 AromaticContact CE1-CE1 3.22Å; H121-Y245 WeakPolarHBondContact CE1-CE1 3.36Å; H121-Y245 AromaticContact CE1-CZ 3.87Å; H121-Y245 AromaticContact CG-CD1 3.78Å; H121-Y245 AromaticContact CG-CE1 3.35Å; H121-Y245 AromaticContact CG-CZ 3.46Å; H121-Y245 VanDerWaalsContact CG-CZ 3.46Å; H121-Y245 AromaticContact ND1-CE1 3.19Å; H121-Y245 WeakPolarHBondContact ND1-CE1 3.37Å; H121-Y245 AromaticContact ND1-CZ 3.35Å; H121-Y245 VanDerWaalsContact ND1-CZ 3.35Å; H121-Y245 PolarHBondContact ND1-OH 3.2Å; H121-Y245 AromaticContact NE2-CD1 3.54Å; H121-Y245 AromaticContact NE2-CE1 3.37Å; H121-Y245 WeakPolarHBondContact NE2-CE1 3.45Å; D134-Y245 WeakPolarHBondContact O-CB 3.34Å; D134-Y245 PolarHBondContact O-N 3.3Å; T243-Y245 PolarHBondContact O-N 2.85Å; T243-Y245 PolarHBondContact OG1-N 2.91Å; Y245-R247 VanDerWaalsContact C-N 3.31Å; Y245-R247 PolarHBondContact O-N 2.88Å; Y245-T248 PolarHBondContact O-N 3.22Å; Y245-F249 AromaticContact CD1-CD2 3.63Å; Y245-F249 HydrophobicContact CD1-CD2 3.63Å; Y245-F249 AromaticContact CD1-CE2 3.99Å; Y245-F249 HydrophobicContact CD1-CE2 3.99Å; Y245-F249 HydrophobicContact CD1-CG 4.41Å; Y245-F249 HydrophobicContact CD2-CD2 4.06Å; Y245-F249 AromaticContact CD2-CE2 3.68Å; Y245-F249 HydrophobicContact CD2-CE2 3.68Å; Y245-F249 HydrophobicContact CE1-CD1 4.49Å; Y245-F249 AromaticContact CE1-CD2 3.3Å; Y245-F249 HydrophobicContact CE1-CD2 3.3Å; Y245-F249 AromaticContact CE1-CE2 3.43Å; Y245-F249 HydrophobicContact CE1-CE2 3.43Å; Y245-F249 VanDerWaalsContact CE1-CE2 3.43Å; Y245-F249 AromaticContact CE1-CG 3.89Å; Y245-F249 HydrophobicContact CE1-CG 3.89Å; Y245-F249 HydrophobicContact CE1-CZ 4.06Å; Y245-F249 AromaticContact CE2-CD2 3.83Å; Y245-F249 HydrophobicContact CE2-CD2 3.83Å; Y245-F249 AromaticContact CE2-CE2 3.12Å; Y245-F249 HydrophobicContact CE2-CE2 3.12Å; Y245-F249 AromaticContact CE2-CZ 3.77Å; Y245-F249 HydrophobicContact CE2-CZ 3.77Å; Y245-F249 AromaticContact CG-CD2 3.99Å; Y245-F249 HydrophobicContact CG-CD2 3.99Å; Y245-F249 HydrophobicContact CG-CE2 4.09Å; Y245-F249 AromaticContact CZ-CD2 3.45Å; Y245-F249 VanDerWaalsContact CZ-CD2 3.45Å; Y245-F249 AromaticContact CZ-CE2 2.98Å; Y245-F249 AromaticContact CZ-CZ 3.4Å; Y245-F249 VanDerWaalsContact O-CD2 3.32Å; Y245-F249 WeakPolarHBondContact O-CD2 3.34Å; Y245-F249 PolarHBondContact O-N 3.45Å; Y245-F249 VanDerWaalsContact OH-CE2 3.26Å; Y245-F249 WeakPolarHBondContact OH-CE2 3.26Å; Y245-F249 WeakPolarHBondContact OH-CZ 3.49Å
246E87.3Confident78.8Confident26 Ų2657.9 Ų57.912%0.12129%0.288CS..Hα-helixtrans-58.7-41.7-178.9-71.6165.1170.800112.2R119 Q242 T243 K250R119-E246 WeakPolarHBondContact CG-OE1 3.34Å; R119-E246 IonicContact CZ-OE1 3.61Å; R119-E246 IonicContact CZ-OE2 2.76Å; R119-E246 IonicContact NE-OE1 3.34Å; R119-E246 PolarHBondContact NE-OE1 2.9Å; R119-E246 IonicContact NE-OE2 3.51Å; R119-E246 IonicContact NH2-OE1 2.76Å; R119-E246 PolarHBondContact NH2-OE1 3.27Å; R119-E246 IonicContact NH2-OE2 3.51Å; R119-E246 PolarHBondContact NH2-OE2 3.04Å; Q242-E246 WeakPolarHBondContact CA-OE2 3.37Å; T243-E246 PolarHBondContact N-OE2 3.19Å; T243-E246 PolarHBondContact O-N 3.03Å; T243-E246 VanDerWaalsContact O-N 3.13Å; T243-E246 WeakPolarHBondContact OG1-CG 3.39Å; T243-E246 PolarHBondContact OG1-N 3.42Å; T243-E246 VanDerWaalsContact OG1-N 3.1Å; E246-K250 WeakPolarHBondContact O-CG 3.49Å; E246-K250 PolarHBondContact O-N 2.84Å; E246-K250 VanDerWaalsContact O-N 3.14Å
247R85Confident76.4Confident53 Ų5357.9 Ų57.920%0.228%0.282CS..Hα-helixtrans-67.1-40.8178.5-173.8168.9-71.5-177.8-6.9112.5N236 L237 T240 Q242 T243 Y245 S251N236-R247 VanDerWaalsContact OD1-CZ 3.31Å; N236-R247 PolarHBondContact OD1-NH1 3.33Å; N236-R247 PolarHBondContact OD1-NH2 3.16Å; L237-R247 HydrophobicContact CD2-CB 4.13Å; L237-R247 VanDerWaalsContact CD2-NE 3.32Å; T240-R247 PolarHBondContact OG1-NH2 3.24Å; Q242-R247 VanDerWaalsContact OE1-NH2 3.09Å; T243-R247 PolarHBondContact O-N 3.16Å; Y245-R247 VanDerWaalsContact C-N 3.31Å; Y245-R247 PolarHBondContact O-N 2.88Å; R247-S251 PolarHBondContact O-N 2.9Å
248T80.8Confident74.6Confident79 Ų7960.5 Ų60.549%0.48530%0.301SS..Hα-helixtrans-69.6-37.6179.7-53.40000112.3M244 Y245 S251 F252M244-T248 WeakPolarHBondContact O-CB 3.37Å; M244-T248 PolarHBondContact O-N 3.39Å; M244-T248 PolarHBondContact O-OG1 3.22Å; Y245-T248 PolarHBondContact O-N 3.22Å; T248-S251 PolarHBondContact O-OG 3.42Å; T248-F252 PolarHBondContact O-N 2.85Å
249F74.7Confident72.8Confident95 Ų9562.7 Ų62.742%0.41732%0.316SS..Hα-helixtrans-70.2-40.1176.9-88-95.1000112Y245 S251 F252 D253Y245-F249 AromaticContact CD1-CD2 3.63Å; Y245-F249 HydrophobicContact CD1-CD2 3.63Å; Y245-F249 AromaticContact CD1-CE2 3.99Å; Y245-F249 HydrophobicContact CD1-CE2 3.99Å; Y245-F249 HydrophobicContact CD1-CG 4.41Å; Y245-F249 HydrophobicContact CD2-CD2 4.06Å; Y245-F249 AromaticContact CD2-CE2 3.68Å; Y245-F249 HydrophobicContact CD2-CE2 3.68Å; Y245-F249 HydrophobicContact CE1-CD1 4.49Å; Y245-F249 AromaticContact CE1-CD2 3.3Å; Y245-F249 HydrophobicContact CE1-CD2 3.3Å; Y245-F249 AromaticContact CE1-CE2 3.43Å; Y245-F249 HydrophobicContact CE1-CE2 3.43Å; Y245-F249 VanDerWaalsContact CE1-CE2 3.43Å; Y245-F249 AromaticContact CE1-CG 3.89Å; Y245-F249 HydrophobicContact CE1-CG 3.89Å; Y245-F249 HydrophobicContact CE1-CZ 4.06Å; Y245-F249 AromaticContact CE2-CD2 3.83Å; Y245-F249 HydrophobicContact CE2-CD2 3.83Å; Y245-F249 AromaticContact CE2-CE2 3.12Å; Y245-F249 HydrophobicContact CE2-CE2 3.12Å; Y245-F249 AromaticContact CE2-CZ 3.77Å; Y245-F249 HydrophobicContact CE2-CZ 3.77Å; Y245-F249 AromaticContact CG-CD2 3.99Å; Y245-F249 HydrophobicContact CG-CD2 3.99Å; Y245-F249 HydrophobicContact CG-CE2 4.09Å; Y245-F249 AromaticContact CZ-CD2 3.45Å; Y245-F249 VanDerWaalsContact CZ-CD2 3.45Å; Y245-F249 AromaticContact CZ-CE2 2.98Å; Y245-F249 AromaticContact CZ-CZ 3.4Å; Y245-F249 VanDerWaalsContact O-CD2 3.32Å; Y245-F249 WeakPolarHBondContact O-CD2 3.34Å; Y245-F249 PolarHBondContact O-N 3.45Å; Y245-F249 VanDerWaalsContact OH-CE2 3.26Å; Y245-F249 WeakPolarHBondContact OH-CE2 3.26Å; Y245-F249 WeakPolarHBondContact OH-CZ 3.49Å; F249-S251 VanDerWaalsContact C-N 3.31Å; F249-S251 PolarHBondContact O-N 3.35Å; F249-F252 PolarHBondContact O-N 3.36Å; F249-D253 PolarHBondContact O-N 2.67Å
250K66.4Low70.9Confident85 Ų8562 Ų6237%0.3731%0.313SS..Hα-helixtrans-58.7-41.7174.2-77.1-179.8-178.9-173.20112.5E246 Q254E246-K250 WeakPolarHBondContact O-CG 3.49Å; E246-K250 PolarHBondContact O-N 2.84Å; E246-K250 VanDerWaalsContact O-N 3.14Å; K250-Q254 VanDerWaalsContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CB 3.26Å; K250-Q254 PolarHBondContact O-N 3.2Å
251S60.6Low68.9Low67 Ų6766.1 Ų66.147%0.46933%0.33SS..Hα-helixtrans-68.4-35177.963.20000112.5R247 T248 F249 C255R247-S251 PolarHBondContact O-N 2.9Å; T248-S251 PolarHBondContact O-OG 3.42Å; F249-S251 VanDerWaalsContact C-N 3.31Å; F249-S251 PolarHBondContact O-N 3.35Å; S251-C255 VanDerWaalsContact O-CB 3.31Å; S251-C255 WeakPolarHBondContact O-CB 3.49Å; S251-C255 PolarHBondContact O-N 2.76Å
252F55.7Low66.8Low134 Ų13471.2 Ų71.259%0.58836%0.357SS*.Hα-helixtrans-65.8-48.7173.9-175.7-94.2000111.9T248 F249 Q254 C255 Y256T248-F252 PolarHBondContact O-N 2.85Å; F249-F252 PolarHBondContact O-N 3.36Å; F252-Q254 VanDerWaalsContact C-N 3.32Å; F252-Q254 PolarHBondContact O-N 3.14Å; F252-C255 PolarHBondContact O-N 3.04Å; F252-Y256 WeakPolarHBondContact O-CB 3.4Å; F252-Y256 PolarHBondContact O-N 3.02Å
253D56.7Low64.7Low66 Ų6675 Ų7535%0.35338%0.379SS..Hα-helixtrans-59.3-46.1177.4-71.7-21.8000110.4F249 C255 Y256 W257F249-D253 PolarHBondContact O-N 2.67Å; D253-C255 VanDerWaalsContact C-N 3.34Å; D253-C255 PolarHBondContact O-N 2.99Å; D253-Y256 PolarHBondContact O-N 3.08Å; D253-W257 PolarHBondContact O-N 2.95Å
254Q57.7Low62.5Low138 Ų13878.5 Ų78.565%0.64540%0.397SS*.Hα-helixtrans-59.9-41.9177.7-172.1175.32.200112.5K250 F252 S258K250-Q254 VanDerWaalsContact O-CB 3.29Å; K250-Q254 WeakPolarHBondContact O-CB 3.26Å; K250-Q254 PolarHBondContact O-N 3.2Å; F252-Q254 VanDerWaalsContact C-N 3.32Å; F252-Q254 PolarHBondContact O-N 3.14Å; Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 3.39Å; Q254-S258 PolarHBondContact O-OG 3.5Å
255C50.2Low60.3Low70 Ų7081.5 Ų81.547%0.47341%0.414SS..Hα-helixtrans-67.6-39.6177.2-174.10000112.5S251 F252 D253 S258 S259S251-C255 VanDerWaalsContact O-CB 3.31Å; S251-C255 WeakPolarHBondContact O-CB 3.49Å; S251-C255 PolarHBondContact O-N 2.76Å; F252-C255 PolarHBondContact O-N 3.04Å; D253-C255 VanDerWaalsContact C-N 3.34Å; D253-C255 PolarHBondContact O-N 2.99Å; C255-S258 WeakPolarHBondContact CA-OG 3.25Å; C255-S258 PolarHBondContact O-N 2.99Å; C255-S258 PolarHBondContact O-OG 3.22Å; C255-S259 WeakPolarHBondContact O-CB 3.49Å; C255-S259 PolarHBondContact O-N 3.43Å; C255-S259 PolarHBondContact O-OG 3.4Å
256Y54.1Low58Low134 Ų13486.8 Ų86.853%0.52544%0.44SS..Hα-helixtrans-62.4-44.6176.6-177.1-91.3000111.1F252 D253 S260F252-Y256 WeakPolarHBondContact O-CB 3.4Å; F252-Y256 PolarHBondContact O-N 3.02Å; D253-Y256 PolarHBondContact O-N 3.08Å; Y256-S260 WeakPolarHBondContact O-CB 3.22Å; Y256-S260 PolarHBondContact O-N 2.9Å; Y256-S260 PolarHBondContact O-OG 3.08Å
257W45.9Very low55.5Low76 Ų7692.2 Ų92.229%0.28847%0.465SS..Hα-helixtrans-74.4-34.3178-66.2115.2000113.4D253 S260 H261 Q303D253-W257 PolarHBondContact O-N 2.95Å; W257-S260 PolarHBondContact O-N 3.15Å; W257-H261 WeakPolarHBondContact O-CB 3.49Å; W257-H261 PolarHBondContact O-CD2 2.86Å; W257-H261 PolarHBondContact O-N 3.14Å; W257-Q303 VanDerWaalsContact CH2-NE2 3.33Å; W257-Q303 HydrophobicContact CZ2-CG 4.3Å
258S54.8Low53.4Low56 Ų5692 Ų9239%0.39247%0.47SS..Hα-helixtrans-64.7-43.6173.465.80000110.9Q254 C255 S260 H261 D262Q254-S258 WeakPolarHBondContact O-CB 3.47Å; Q254-S258 PolarHBondContact O-N 3.39Å; Q254-S258 PolarHBondContact O-OG 3.5Å; C255-S258 WeakPolarHBondContact CA-OG 3.25Å; C255-S258 PolarHBondContact O-N 2.99Å; C255-S258 PolarHBondContact O-OG 3.22Å; S258-S260 VanDerWaalsContact C-N 3.34Å; S258-S260 PolarHBondContact O-N 2.92Å; S258-H261 PolarHBondContact O-N 3.16Å; S258-D262 PolarHBondContact O-N 3.31Å
259S56.9Low51.5Low54 Ų5492.3 Ų92.338%0.37847%0.471SS..Hα-helixtrans-65.1-39.6175.8-51.30000111.5C255 H261 D262 D263C255-S259 WeakPolarHBondContact O-CB 3.49Å; C255-S259 PolarHBondContact O-N 3.43Å; C255-S259 PolarHBondContact O-OG 3.4Å; S259-H261 VanDerWaalsContact C-N 3.33Å; S259-H261 PolarHBondContact O-N 2.98Å; S259-D262 PolarHBondContact O-N 3.33Å; S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 2.92Å
260S53.3Low49.6Very low28 Ų2889.7 Ų89.720%0.19647%0.471CS..Hα-helixtrans-65.9-34.8175.6-57.20000112Y256 W257 S258 D264Y256-S260 WeakPolarHBondContact O-CB 3.22Å; Y256-S260 PolarHBondContact O-N 2.9Å; Y256-S260 PolarHBondContact O-OG 3.08Å; W257-S260 PolarHBondContact O-N 3.15Å; S258-S260 VanDerWaalsContact C-N 3.34Å; S258-S260 PolarHBondContact O-N 2.92Å; S260-D264 WeakPolarHBondContact O-CA 3.39Å; S260-D264 WeakPolarHBondContact O-CB 3.19Å; S260-D264 PolarHBondContact O-N 3.42Å
261H50.2Low48.1Very low120 Ų12092.1 Ų92.156%0.55649%0.486SS*.Hα-helixtrans-71-37.2174.5-89.5-58.6000112.6W257 S258 S259 D264 D265W257-H261 WeakPolarHBondContact O-CB 3.49Å; W257-H261 PolarHBondContact O-CD2 2.86Å; W257-H261 PolarHBondContact O-N 3.14Å; S258-H261 PolarHBondContact O-N 3.16Å; S259-H261 VanDerWaalsContact C-N 3.33Å; S259-H261 PolarHBondContact O-N 2.98Å; H261-D264 CarbonylContact O-C 3.57Å; H261-D264 PolarHBondContact O-N 3.42Å; H261-D265 PolarHBondContact O-N 3.32Å
262D50.7Low47.1Very low107 Ų10795.6 Ų95.657%0.57249%0.492SS*.Hα-helixtrans-67-38173.8-69.2-30.1000111.5S258 S259 D265S258-D262 PolarHBondContact O-N 3.31Å; S259-D262 PolarHBondContact O-N 3.33Å; D262-D265 PolarHBondContact O-N 2.73Å
263D47.3Very low46.2Very low105 Ų10597.2 Ų97.256%0.56149%0.494SS*.Hα-helixtrans-73-36.1173.4-75.7-31.8000112S259 D265 H266 H267S259-D263 WeakPolarHBondContact O-CB 3.17Å; S259-D263 PolarHBondContact O-N 2.92Å; D263-D265 VanDerWaalsContact C-N 3.29Å; D263-D265 PolarHBondContact O-N 3.47Å; D263-H266 WeakPolarHBondContact O-CB 3.22Å; D263-H266 PolarHBondContact O-N 3.03Å; D263-H266 VanDerWaalsContact O-N 3.14Å; D263-H267 PolarHBondContact O-N 2.87Å
264D47.5Very low45.2Very low72 Ų7299.7 Ų99.739%0.38550%0.502SS..Hα-helixtrans-69.4-23.6172.8-82.2-27.6000111.4S260 H261 H266 H267 T268S260-D264 WeakPolarHBondContact O-CA 3.39Å; S260-D264 WeakPolarHBondContact O-CB 3.19Å; S260-D264 PolarHBondContact O-N 3.42Å; H261-D264 CarbonylContact O-C 3.57Å; H261-D264 PolarHBondContact O-N 3.42Å; D264-H266 PolarHBondContact O-N 2.99Å; D264-H267 PolarHBondContact O-N 3.36Å; D264-T268 HydrophobicContact CB-CG2 3.97Å; D264-T268 WeakPolarHBondContact O-CA 3.33Å; D264-T268 WeakPolarHBondContact O-CB 3.34Å; D264-T268 WeakPolarHBondContact O-CG2 3.5Å; D264-T268 PolarHBondContact O-N 3.3Å; D264-T268 PolarHBondContact O-OG1 2.95Å
265D43.9Very low44.4Very low104 Ų104101.4 Ų101.456%0.55650%0.503SS*.Hα-helixtrans-67.2-25.2171.3-82.4-20.4000111.5H261 D262 D263 T269H261-D265 PolarHBondContact O-N 3.32Å; D262-D265 PolarHBondContact O-N 2.73Å; D263-D265 VanDerWaalsContact C-N 3.29Å; D263-D265 PolarHBondContact O-N 3.47Å; D265-T269 PolarHBondContact O-OG1 3.48Å
266H37.8Very low44Very low154 Ų154104.2 Ų104.271%0.71351%0.509SS*.Hα-helixtrans-83.8-34.1167.9-76.1-58.5000113.7D263 D264 T269 G270D263-H266 WeakPolarHBondContact O-CB 3.22Å; D263-H266 PolarHBondContact O-N 3.03Å; D263-H266 VanDerWaalsContact O-N 3.14Å; D264-H266 PolarHBondContact O-N 2.99Å; H266-T269 PolarHBondContact O-OG1 3.43Å; H266-T269 VanDerWaalsContact O-OG1 3.1Å; H266-G270 PolarHBondContact O-N 3.36Å
267H34.6Very low43.3Very low140 Ų140102.4 Ų102.465%0.64851%0.505SS*.Hα-helixtrans-83.4-31.4178.8-100.1-76.6000114.3D263 D264 G270 M271D263-H267 PolarHBondContact O-N 2.87Å; D264-H267 PolarHBondContact O-N 3.36Å; H267-G270 CarbonylContact O-C 3.16Å; H267-G270 PolarHBondContact O-N 2.92Å; H267-M271 WeakPolarHBondContact O-CB 3.48Å; H267-M271 PolarHBondContact O-N 2.86Å
268T40.9Very low42.8Very low48 Ų48103.6 Ų103.629%0.29452%0.515SS..Hα-helixtrans-78.2-27.6177.264.40000111.8D264 K272D264-T268 HydrophobicContact CB-CG2 3.97Å; D264-T268 WeakPolarHBondContact O-CA 3.33Å; D264-T268 WeakPolarHBondContact O-CB 3.34Å; D264-T268 WeakPolarHBondContact O-CG2 3.5Å; D264-T268 PolarHBondContact O-N 3.3Å; D264-T268 PolarHBondContact O-OG1 2.95Å; T268-K272 WeakPolarHBondContact O-CB 3.39Å; T268-K272 WeakPolarHBondContact O-CG 3.39Å; T268-K272 PolarHBondContact O-N 2.95Å
269T41.7Very low42Very low85 Ų85106.5 Ų106.552%0.52153%0.526SS..Hα-helixtrans-66.4-41.1165.133.20000110.7D265 H266 R273D265-T269 PolarHBondContact O-OG1 3.48Å; H266-T269 PolarHBondContact O-OG1 3.43Å; H266-T269 VanDerWaalsContact O-OG1 3.1Å; T269-R273 WeakPolarHBondContact O-CB 3.49Å; T269-R273 PolarHBondContact O-N 3.33Å
270G34.3Very low41.2Very low40 Ų40108.8 Ų108.841%0.41254%0.542SS..Hα-helixtrans-62.4-45.6171.800000113.2H266 H267 R273 F274H266-G270 PolarHBondContact O-N 3.36Å; H267-G270 CarbonylContact O-C 3.16Å; H267-G270 PolarHBondContact O-N 2.92Å; G270-R273 PolarHBondContact O-N 3.11Å; G270-F274 VanDerWaalsContact O-CB 3.24Å; G270-F274 WeakPolarHBondContact O-CB 3.39Å; G270-F274 PolarHBondContact O-N 2.87Å
271M36.3Very low40.5Very low137 Ų137111 Ų11168%0.67556%0.558SS**Hα-helixtrans-79-30.5-176.3-161.5154.267.600113.1H267 R275H267-M271 WeakPolarHBondContact O-CB 3.48Å; H267-M271 PolarHBondContact O-N 2.86Å; M271-R275 WeakPolarHBondContact O-CB 3.01Å; M271-R275 PolarHBondContact O-N 3.38Å
272K37.8Very low39.7Very low139 Ų139111.4 Ų111.460%0.60457%0.569SS**Hα-helixtrans-65.9-46.5166.8-83.5-179.3174.1173.80110.6T268 F274 R275 E276T268-K272 WeakPolarHBondContact O-CB 3.39Å; T268-K272 WeakPolarHBondContact O-CG 3.39Å; T268-K272 PolarHBondContact O-N 2.95Å; K272-F274 PolarHBondContact O-N 3.44Å; K272-R275 PolarHBondContact O-N 2.82Å; K272-E276 WeakPolarHBondContact O-CB 3.3Å; K272-E276 VanDerWaalsContact O-CG 3.26Å; K272-E276 WeakPolarHBondContact O-CG 3.49Å; K272-E276 PolarHBondContact O-N 2.94Å
273R38.7Very low38.6Very low168 Ų168109.5 Ų109.563%0.63457%0.574SS**Hα-helixtrans-61.1-43.5176.5-176176.9174.7171.83.4111.9T269 G270 E276 E277T269-R273 WeakPolarHBondContact O-CB 3.49Å; T269-R273 PolarHBondContact O-N 3.33Å; G270-R273 PolarHBondContact O-N 3.11Å; R273-E276 PolarHBondContact O-N 2.64Å; R273-E277 IonicContact NE-OE1 3.3Å; R273-E277 PolarHBondContact NE-OE1 3.43Å; R273-E277 WeakPolarHBondContact O-CB 3.47Å; R273-E277 WeakPolarHBondContact O-CG 3.49Å; R273-E277 PolarHBondContact O-N 2.94Å
274F34.8Very low37.6Very low118 Ų118109.8 Ų109.852%0.51859%0.585SS.*Hα-helixtrans-67.3-37.2176.8-164.6-109.5000112.4G270 K272 E277 M278G270-F274 VanDerWaalsContact O-CB 3.24Å; G270-F274 WeakPolarHBondContact O-CB 3.39Å; G270-F274 PolarHBondContact O-N 2.87Å; K272-F274 PolarHBondContact O-N 3.44Å; F274-E277 PolarHBondContact O-N 3.48Å; F274-M278 HydrophobicContact CD1-CE 3.93Å; F274-M278 HydrophobicContact CD1-SD 4.11Å; F274-M278 HydrophobicContact CE1-CE 3.11Å; F274-M278 HydrophobicContact CE1-SD 3.87Å; F274-M278 HydrophobicContact CZ-CE 3.46Å; F274-M278 VanDerWaalsContact CZ-CE 3.46Å; F274-M278 WeakPolarHBondContact O-CB 3.31Å; F274-M278 WeakPolarHBondContact O-CG 3.36Å; F274-M278 PolarHBondContact O-N 2.8Å
275R40.3Very low36.5Very low175 Ų175111.6 Ų111.666%0.6660%0.603SS**Hα-helixtrans-69.8-34.9174.6-171.6174.9-171.2161.41.3112.3M271 K272 N279M271-R275 WeakPolarHBondContact O-CB 3.01Å; M271-R275 PolarHBondContact O-N 3.38Å; K272-R275 PolarHBondContact O-N 2.82Å; R275-N279 WeakPolarHBondContact O-CB 3.17Å; R275-N279 PolarHBondContact O-N 2.98Å; R275-N279 PolarHBondContact O-ND2 3.38Å
276E41.9Very low35.7Very low129 Ų129112.5 Ų112.560%0.60362%0.618SS**Hα-helixtrans-69.9-39.3173.4-74168-17200111.3K272 R273 N279 S280K272-E276 WeakPolarHBondContact O-CB 3.3Å; K272-E276 VanDerWaalsContact O-CG 3.26Å; K272-E276 WeakPolarHBondContact O-CG 3.49Å; K272-E276 PolarHBondContact O-N 2.94Å; R273-E276 PolarHBondContact O-N 2.64Å; E276-N279 PolarHBondContact O-N 3.41Å; E276-S280 WeakPolarHBondContact O-CB 3.42Å; E276-S280 PolarHBondContact O-N 2.66Å; E276-S280 PolarHBondContact O-OG 3.06Å
277E40.1Very low35.1Very low96 Ų96111 Ų11145%0.44962%0.624SS.*Hα-helixtrans-65-40.3172.8-76.1171.7-171.900111.7R273 F274 S280 S281R273-E277 IonicContact NE-OE1 3.3Å; R273-E277 PolarHBondContact NE-OE1 3.43Å; R273-E277 WeakPolarHBondContact O-CB 3.47Å; R273-E277 WeakPolarHBondContact O-CG 3.49Å; R273-E277 PolarHBondContact O-N 2.94Å; F274-E277 PolarHBondContact O-N 3.48Å; E277-S280 PolarHBondContact O-OG 3.21Å; E277-S281 PolarHBondContact O-OG 3.27Å
278M34.5Very low34.8Very low100 Ų100107.4 Ų107.449%0.49363%0.626SS.*Hα-helixtrans-69.8-41.5173.7-78.4-175.4169.600113.4F274 S280 S281 T282F274-M278 HydrophobicContact CD1-CE 3.93Å; F274-M278 HydrophobicContact CD1-SD 4.11Å; F274-M278 HydrophobicContact CE1-CE 3.11Å; F274-M278 HydrophobicContact CE1-SD 3.87Å; F274-M278 HydrophobicContact CZ-CE 3.46Å; F274-M278 VanDerWaalsContact CZ-CE 3.46Å; F274-M278 WeakPolarHBondContact O-CB 3.31Å; F274-M278 WeakPolarHBondContact O-CG 3.36Å; F274-M278 PolarHBondContact O-N 2.8Å; M278-S280 VanDerWaalsContact C-N 3.28Å; M278-S280 PolarHBondContact O-N 3.12Å; M278-S281 CarbonylContact O-C 3.42Å; M278-S281 PolarHBondContact O-N 2.93Å; M278-T282 PolarHBondContact O-N 3.28Å
279N37.9Very low34.1Very low117 Ų117111.2 Ų111.263%0.62665%0.654SS**Hα-helixtrans-71.3-24.5-178.7-73.2-14.5000112.8R275 E276R275-N279 WeakPolarHBondContact O-CB 3.17Å; R275-N279 PolarHBondContact O-N 2.98Å; R275-N279 PolarHBondContact O-ND2 3.38Å; E276-N279 PolarHBondContact O-N 3.41Å
280S41Very low33.6Very low102 Ų102113.1 Ų113.171%0.71367%0.666SS**THydrogen-bonded Turntrans-77-13.1170.8630000113E276 E277 M278E276-S280 WeakPolarHBondContact O-CB 3.42Å; E276-S280 PolarHBondContact O-N 2.66Å; E276-S280 PolarHBondContact O-OG 3.06Å; E277-S280 PolarHBondContact O-OG 3.21Å; M278-S280 VanDerWaalsContact C-N 3.28Å; M278-S280 PolarHBondContact O-N 3.12Å
281S39Very low33.4Very low75 Ų75115.8 Ų115.852%0.52468%0.684SS.*SBendtrans-137.357.5-175.859.70000112.2E277 M278E277-S281 PolarHBondContact O-OG 3.27Å; M278-S281 CarbonylContact O-C 3.42Å; M278-S281 PolarHBondContact O-N 2.93Å
282T32Very low33.2Very low129 Ų129113.8 Ų113.879%0.79168%0.675SS**  trans164126.2139.236.20000111.2M278M278-T282 PolarHBondContact O-N 3.28Å
283G28.3Very low33.1Very low66 Ų66110.4 Ų110.468%0.6867%0.669SS**  trans-74.6167162.600000111.6
284S26.3Very low33.2Very low112 Ų112107.9 Ų107.978%0.78367%0.672SS**  trans91.898.3169.874.60000118.1
285S24.8Very low33.5Very low110 Ų110105 Ų10577%0.76967%0.667SS**  34.8114.5124.652.10000119.6
286S26.4Very low33.5Very low123 Ų12399.6 Ų99.686%0.8665%0.653SS**  -174.6147119.146.20000112.6
287S25.7Very low33.5Very low121 Ų12198.3 Ų98.385%0.84665%0.65SS**  trans-61.8122.6178.643.30000113.7
288G27.3Very low33.6Very low66 Ų66100.1 Ų100.168%0.6866%0.658SS**  trans-129.3101.6167.600000110.2T290G288-T290 PolarHBondContact O-N 3.16Å
289S26.1Very low33.9Very low128 Ų12899.9 Ų99.990%0.89566%0.655SS**  trans-70.893172-58.20000109.3A291S289-A291 PolarHBondContact O-N 3.44Å
290T31.5Very low33.9Very low125 Ų125101.6 Ų101.677%0.76765%0.653SS**  trans-73.6111.6175.7-39.30000109.1G288 I292G288-T290 PolarHBondContact O-N 3.16Å; T290-I292 PolarHBondContact O-N 2.91Å
291A31Very low33.9Very low96 Ų96106 Ų10679%0.79365%0.654SS**  trans-58.4101170.500000109.5S289 S293S289-A291 PolarHBondContact O-N 3.44Å; A291-S293 PolarHBondContact O-N 3.42Å; A291-S293 VanDerWaalsContact O-N 3.13Å
292I32.7Very low34.1Very low94 Ų94106.7 Ų106.748%0.48265%0.649SS.*  trans-69.8110.5176-62.4176.3000107.2T290 T294 V296 L297T290-I292 PolarHBondContact O-N 2.91Å; I292-T294 PolarHBondContact O-N 2.81Å; I292-V296 HydrophobicContact CG2-CB 3.74Å; I292-V296 HydrophobicContact CG2-CG1 3.86Å; I292-L297 HydrophobicContact CG2-CG 4.28Å
293S34.5Very low34.5Very low68 Ų68103.9 Ų103.948%0.47663%0.627SS.*  trans-50.1135.8175.6-177.70000110.7A291 S295 V296A291-S293 PolarHBondContact O-N 3.42Å; A291-S293 VanDerWaalsContact O-N 3.13Å; S293-S295 PolarHBondContact O-N 3Å; S293-S295 PolarHBondContact OG-OG 3.27Å; S293-S295 VanDerWaalsContact OG-OG 3.06Å; S293-V296 WeakPolarHBondContact O-CB 3.49Å; S293-V296 PolarHBondContact O-N 3.29Å
294T41.1Very low35Very low115 Ų115103.9 Ų103.971%0.70662%0.617SS**Hα-helixtrans-53.2-25.4-179.545.30000113.7I292 L297 H298I292-T294 PolarHBondContact O-N 2.81Å; T294-L297 PolarHBondContact O-N 3.33Å; T294-H298 PolarHBondContact O-N 3.41Å
295S41.8Very low35.9Very low59 Ų59102 Ų10241%0.41360%0.598SS.*Hα-helixtrans-58.6-43.4171.357.70000112.4S293 H298 H299S293-S295 PolarHBondContact O-N 3Å; S293-S295 PolarHBondContact OG-OG 3.27Å; S293-S295 VanDerWaalsContact OG-OG 3.06Å; S295-H298 PolarHBondContact O-N 2.94Å; S295-H299 WeakPolarHBondContact O-CB 3.39Å; S295-H299 PolarHBondContact O-CD2 2.98Å; S295-H299 PolarHBondContact O-N 3.28Å
296V40.6Very low36.8Very low60 Ų6099.3 Ų99.336%0.36458%0.579SS.*Hα-helixtrans-70.8-35.3-179.3-179.10000111.4I292 S293 H299 R300I292-V296 HydrophobicContact CG2-CB 3.74Å; I292-V296 HydrophobicContact CG2-CG1 3.86Å; S293-V296 WeakPolarHBondContact O-CB 3.49Å; S293-V296 PolarHBondContact O-N 3.29Å; V296-H299 PolarHBondContact O-N 3.15Å; V296-R300 WeakPolarHBondContact O-CB 3.37Å; V296-R300 WeakPolarHBondContact O-CG 3.32Å; V296-R300 PolarHBondContact O-N 3.42Å
297L41.1Very low37.6Very low103 Ų10399.5 Ų99.554%0.53957%0.57SS.*Hα-helixtrans-68.7-41.9174.5-75.1170.1000111.7I292 T294 H299 R300 R301I292-L297 HydrophobicContact CG2-CG 4.28Å; T294-L297 PolarHBondContact O-N 3.33Å; L297-H299 VanDerWaalsContact C-N 3.29Å; L297-H299 PolarHBondContact O-N 3.07Å; L297-R300 PolarHBondContact O-N 2.93Å; L297-R301 WeakPolarHBondContact O-CB 3.49Å; L297-R301 PolarHBondContact O-N 3.04Å
298H42.1Very low38.4Very low133 Ų133102 Ų10262%0.61657%0.568SS**Hα-helixtrans-65.1-35.7174.7-146.4-75.2000111.3T294 S295 Q302T294-H298 PolarHBondContact O-N 3.41Å; S295-H298 PolarHBondContact O-N 2.94Å; H298-Q302 WeakPolarHBondContact O-CG 3.45Å; H298-Q302 PolarHBondContact O-N 2.77Å
299H41.6Very low39.3Very low95 Ų95102 Ų10244%0.4455%0.548SS..Hα-helixtrans-73-39.8175.3-84-61.5000113.9S295 V296 L297 R301 Q302 Q303S295-H299 WeakPolarHBondContact O-CB 3.39Å; S295-H299 PolarHBondContact O-CD2 2.98Å; S295-H299 PolarHBondContact O-N 3.28Å; V296-H299 PolarHBondContact O-N 3.15Å; L297-H299 VanDerWaalsContact C-N 3.29Å; L297-H299 PolarHBondContact O-N 3.07Å; H299-R301 VanDerWaalsContact C-N 3.32Å; H299-R301 PolarHBondContact O-N 3.22Å; H299-Q302 CarbonylContact O-C 3.59Å; H299-Q302 WeakPolarHBondContact O-CA 3.27Å; H299-Q302 WeakPolarHBondContact O-CB 3.34Å; H299-Q302 PolarHBondContact O-N 3.33Å; H299-Q302 VanDerWaalsContact O-N 3.11Å; H299-Q303 PolarHBondContact O-N 3.31Å
300R36.9Very low40.6Very low153 Ų15399.1 Ų99.158%0.57753%0.528SS*.Hα-helixtrans-64.9-36.5173.8-81.7-170.9-173-163.13.2112.2V296 L297 Q302 Q303 S304V296-R300 WeakPolarHBondContact O-CB 3.37Å; V296-R300 WeakPolarHBondContact O-CG 3.32Å; V296-R300 PolarHBondContact O-N 3.42Å; L297-R300 PolarHBondContact O-N 2.93Å; R300-Q302 PolarHBondContact O-N 3.36Å; R300-Q303 PolarHBondContact O-N 3.48Å; R300-S304 PolarHBondContact O-N 3.28Å
301R41.5Very low42.5Very low194 Ų19493.5 Ų93.573%0.73249%0.494SS*.Hα-helixtrans-62.7-34.4172.5-137.4176.9-166.2177.93.6111.3L297 H299 S304 L305L297-R301 WeakPolarHBondContact O-CB 3.49Å; L297-R301 PolarHBondContact O-N 3.04Å; H299-R301 VanDerWaalsContact C-N 3.32Å; H299-R301 PolarHBondContact O-N 3.22Å; R301-S304 PolarHBondContact O-OG 2.87Å; R301-S304 VanDerWaalsContact O-OG 3.09Å; R301-L305 VanDerWaalsContact O-CD1 3.25Å; R301-L305 WeakPolarHBondContact O-CD1 3.27Å; R301-L305 WeakPolarHBondContact O-CG 3.31Å; R301-L305 PolarHBondContact O-N 2.93Å
302Q43Very low45Very low91 Ų9191.2 Ų91.243%0.42547%0.468SS..Hα-helixtrans-73.8-37.9172.3-72.2177.6-12.300112.8H298 H299 R300 S304 L305 S306H298-Q302 WeakPolarHBondContact O-CG 3.45Å; H298-Q302 PolarHBondContact O-N 2.77Å; H299-Q302 CarbonylContact O-C 3.59Å; H299-Q302 WeakPolarHBondContact O-CA 3.27Å; H299-Q302 WeakPolarHBondContact O-CB 3.34Å; H299-Q302 PolarHBondContact O-N 3.33Å; H299-Q302 VanDerWaalsContact O-N 3.11Å; R300-Q302 PolarHBondContact O-N 3.36Å; Q302-S304 PolarHBondContact O-N 2.96Å; Q302-L305 CarbonylContact O-C 3.53Å; Q302-L305 WeakPolarHBondContact O-CA 3.45Å; Q302-L305 WeakPolarHBondContact O-CB 3.29Å; Q302-L305 PolarHBondContact O-N 3.34Å; Q302-L305 VanDerWaalsContact O-N 3.1Å; Q302-S306 WeakPolarHBondContact O-CB 3.41Å; Q302-S306 PolarHBondContact O-N 3.25Å; Q302-S306 PolarHBondContact O-OG 2.85Å
303Q40Very low47.7Very low69 Ų6988.3 Ų88.332%0.32245%0.451SS..Hα-helixtrans-61.7-39174.7-77.5175.9-23.200112.8W257 H299 R300 L305 S306W257-Q303 VanDerWaalsContact CH2-NE2 3.33Å; W257-Q303 HydrophobicContact CZ2-CG 4.3Å; H299-Q303 PolarHBondContact O-N 3.31Å; R300-Q303 PolarHBondContact O-N 3.48Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; Q303-S306 PolarHBondContact O-OG 3.36Å
304S39.1Very low50.4Low67 Ų6787.5 Ų87.547%0.46944%0.442SS..Hα-helixtrans-68.1-35.1173.570.40000111.1R300 R301 Q302 Y309R300-S304 PolarHBondContact O-N 3.28Å; R301-S304 PolarHBondContact O-OG 2.87Å; R301-S304 VanDerWaalsContact O-OG 3.09Å; Q302-S304 PolarHBondContact O-N 2.96Å; S304-Y309 VanDerWaalsContact O-CD2 3.25Å; S304-Y309 WeakPolarHBondContact O-CD2 3.24Å; S304-Y309 WeakPolarHBondContact O-CE2 3.45Å
305L44.5Very low52.9Low72 Ų7284.2 Ų84.238%0.37742%0.419SS..Hα-helixtrans-73.2-27.4178.4-72.6166.7000113.9R301 Q302 Q303 Y309R301-L305 VanDerWaalsContact O-CD1 3.25Å; R301-L305 WeakPolarHBondContact O-CD1 3.27Å; R301-L305 WeakPolarHBondContact O-CG 3.31Å; R301-L305 PolarHBondContact O-N 2.93Å; Q302-L305 CarbonylContact O-C 3.53Å; Q302-L305 WeakPolarHBondContact O-CA 3.45Å; Q302-L305 WeakPolarHBondContact O-CB 3.29Å; Q302-L305 PolarHBondContact O-N 3.34Å; Q302-L305 VanDerWaalsContact O-N 3.1Å; Q303-L305 VanDerWaalsContact C-N 3.3Å; L305-Y309 VanDerWaalsContact CA-CD2 3.41Å; L305-Y309 HydrophobicContact CB-CD2 4.43Å; L305-Y309 HydrophobicContact CD2-CD2 4.06Å; L305-Y309 HydrophobicContact CD2-CE1 4.49Å; L305-Y309 HydrophobicContact CD2-CE2 3.89Å; L305-Y309 HydrophobicContact CD2-CG 4.38Å; L305-Y309 WeakPolarHBondContact O-CB 3.33Å; L305-Y309 WeakPolarHBondContact O-CD2 3.47Å
306S44.7Very low55.3Low54 Ų5483.1 Ų83.138%0.37842%0.417SS..Hα-helixtrans-83.2-39.2-173.263.60000114.1Q302 Q303Q302-S306 WeakPolarHBondContact O-CB 3.41Å; Q302-S306 PolarHBondContact O-N 3.25Å; Q302-S306 PolarHBondContact O-OG 2.85Å; Q303-S306 PolarHBondContact O-OG 3.36Å
307N42.5Very low57.7Low127 Ų12786.9 Ų86.968%0.67943%0.426SS*.Hα-helixtrans-86.2-17.6-165.5-73.8-0.2000115
308H42.6Very low60.3Low174 Ų17486.6 Ų86.681%0.80642%0.422SS*.Hα-helixtrans-140.4-3-173.1-114.8-58.9000116.6S310H308-S310 PolarHBondContact O-N 3.34Å
309Y46.8Very low62.8Low64 Ų6484 Ų8425%0.25141%0.412SS..  trans-86107.5-179.6-71.6-93.1000110.5S304 L305 S311 V355S304-Y309 VanDerWaalsContact O-CD2 3.25Å; S304-Y309 WeakPolarHBondContact O-CD2 3.24Å; S304-Y309 WeakPolarHBondContact O-CE2 3.45Å; L305-Y309 VanDerWaalsContact CA-CD2 3.41Å; L305-Y309 HydrophobicContact CB-CD2 4.43Å; L305-Y309 HydrophobicContact CD2-CD2 4.06Å; L305-Y309 HydrophobicContact CD2-CE1 4.49Å; L305-Y309 HydrophobicContact CD2-CE2 3.89Å; L305-Y309 HydrophobicContact CD2-CG 4.38Å; L305-Y309 WeakPolarHBondContact O-CB 3.33Å; L305-Y309 WeakPolarHBondContact O-CD2 3.47Å; Y309-S311 PolarHBondContact O-N 3.46Å; Y309-S311 VanDerWaalsContact O-N 3.16Å; Y309-V355 HydrophobicContact CD1-CG2 3.52Å; Y309-V355 HydrophobicContact CE1-CB 4.37Å; Y309-V355 HydrophobicContact CE1-CG1 4.48Å; Y309-V355 HydrophobicContact CE1-CG2 3.52Å
310S52.8Low65.3Low69 Ų6979.4 Ų79.448%0.48339%0.391SS..SBendtrans-32.7121.9139.756.50000107.5H308 L312H308-S310 PolarHBondContact O-N 3.34Å; S310-L312 PolarHBondContact O-N 3.48Å
311S71.2Confident68.1Low7 Ų772.4 Ų72.45%0.04937%0.365CS..  trans-24.8118.6-175.2-174.70000113T240 Q242 Y309 Y313 D314T240-S311 WeakPolarHBondContact O-CB 3.22Å; T240-S311 PolarHBondContact O-OG 2.97Å; Q242-S311 VanDerWaalsContact CG-OG 3.26Å; Q242-S311 WeakPolarHBondContact CG-OG 3.37Å; Y309-S311 PolarHBondContact O-N 3.46Å; Y309-S311 VanDerWaalsContact O-N 3.16Å; S311-Y313 PolarHBondContact O-N 2.95Å; S311-D314 VanDerWaalsContact O-CB 3.29Å; S311-D314 WeakPolarHBondContact O-CB 3.49Å; S311-D314 PolarHBondContact O-N 3.35Å
312L83.6Confident70.7Confident48 Ų4865.6 Ų65.625%0.25134%0.341SS..THydrogen-bonded Turntrans-44.9-33.4-176.6178.767.1000113.7S310 I351 S352 V355S310-L312 PolarHBondContact O-N 3.48Å; L312-I351 HydrophobicContact CD1-CG2 3.55Å; L312-I351 HydrophobicContact CG-CG2 4.07Å; L312-I351 WeakPolarHBondContact O-CA 3.21Å; L312-I351 WeakPolarHBondContact O-CG2 3.43Å; L312-S352 PolarHBondContact O-N 3.22Å; L312-V355 HydrophobicContact CD1-CB 4.22Å; L312-V355 HydrophobicContact CD1-CG1 3.79Å; L312-V355 HydrophobicContact CD1-CG2 3.78Å
313Y90.3Very high73.2Confident32 Ų3261.3 Ų61.313%0.12532%0.321CS..THydrogen-bonded Turntrans-991.1-177.4-56.2-67.6000114R119 N241 S311 I315 I351R119-Y313 VanDerWaalsContact CD-CE2 3.46Å; R119-Y313 HydrophobicContact CG-CD2 4.14Å; R119-Y313 HydrophobicContact CG-CE1 4.2Å; R119-Y313 HydrophobicContact CG-CE2 3.42Å; R119-Y313 VanDerWaalsContact CG-CE2 3.42Å; R119-Y313 VanDerWaalsContact CG-CZ 3.45Å; R119-Y313 WeakPolarHBondContact CG-OH 3.34Å; N241-Y313 WeakPolarHBondContact CB-O 3.4Å; N241-Y313 WeakPolarHBondContact ND2-CB 3.37Å; N241-Y313 PolarHBondContact ND2-O 2.94Å; S311-Y313 PolarHBondContact O-N 2.95Å; Y313-I315 PolarHBondContact O-N 3.45Å; Y313-I351 HydrophobicContact CD1-CG1 4.29Å; Y313-I351 HydrophobicContact CE1-CG1 4.17Å
314D91.6Very high75.8Confident51 Ų5158 Ų5827%0.27331%0.305SS..  trans-73.7111.2175.6179.70.3000110.4S311 G316 N320 S352S311-D314 VanDerWaalsContact O-CB 3.29Å; S311-D314 WeakPolarHBondContact O-CB 3.49Å; S311-D314 PolarHBondContact O-N 3.35Å; D314-G316 PolarHBondContact OD1-N 2.81Å; D314-N320 PolarHBondContact OD1-ND2 3.47Å; D314-S352 WeakPolarHBondContact O-CB 3.15Å
315I92.2Very high78.5Confident47 Ų4754.8 Ų54.824%0.24128%0.283CS..  trans-121.529.1-178.656.8158.1000111.1Y313 N319 N320 P350Y313-I315 PolarHBondContact O-N 3.45Å; I315-N319 HydrophobicContact CD1-CB 3.5Å; I315-N319 HydrophobicContact CG1-CB 3.68Å; I315-N319 PolarHBondContact O-ND2 2.98Å; I315-N319 VanDerWaalsContact O-ND2 3.12Å; I315-N320 VanDerWaalsContact CG1-OD1 3.3Å; I315-N320 WeakPolarHBondContact CG1-OD1 3.46Å; I315-N320 PolarHBondContact N-OD1 3.34Å; I315-P350 HydrophobicContact CD1-CB 3.93Å; I315-P350 HydrophobicContact CD1-CG 3.47Å; I315-P350 VanDerWaalsContact CD1-CG 3.47Å; I315-P350 HydrophobicContact CG1-CG 4.49Å; I315-P350 HydrophobicContact CG2-CB 4.42Å
316G92.4Very high80.9Confident35 Ų3551.4 Ų51.436%0.36127%0.265SS..  trans94142.1-177.600000113.2D314 Q318 N319 N320D314-G316 PolarHBondContact OD1-N 2.81Å; G316-Q318 VanDerWaalsContact C-N 3.32Å; G316-Q318 PolarHBondContact O-N 3.47Å; G316-Q318 VanDerWaalsContact O-N 3.12Å; G316-N319 PolarHBondContact O-N 3.39Å; G316-N320 PolarHBondContact O-N 3.22Å; G316-N320 PolarHBondContact O-ND2 3.26Å; G316-N320 PolarHBondContact O-OD1 3.34Å
317Y92.3Very high83.4Confident139 Ų13952.8 Ų52.855%0.54527%0.265SS..Hα-helixtrans-52-42.7-167.376.3-86.5000114.3N320 I321Y317-N320 PolarHBondContact O-N 2.87Å; Y317-I321 HydrophobicContact CD2-CD1 4.49Å; Y317-I321 VanDerWaalsContact O-CG1 3.23Å; Y317-I321 WeakPolarHBondContact O-CG1 3.35Å; Y317-I321 PolarHBondContact O-N 3.41Å
318Q94.2Very high85.9Confident97 Ų9751.5 Ų51.545%0.45326%0.255SS..Hα-helixtrans-65.4-47.2179.6-63.5-170.6-8.700111.7G316 N320 I321 K322G316-Q318 VanDerWaalsContact C-N 3.32Å; G316-Q318 PolarHBondContact O-N 3.47Å; G316-Q318 VanDerWaalsContact O-N 3.12Å; Q318-N320 VanDerWaalsContact C-N 3.29Å; Q318-N320 PolarHBondContact O-N 3.34Å; Q318-I321 PolarHBondContact O-N 2.87Å; Q318-K322 WeakPolarHBondContact O-CG 3.43Å; Q318-K322 PolarHBondContact O-N 2.82Å
319N94.7Very high88.3Confident78 Ų7846.2 Ų46.242%0.41723%0.228SC..Hα-helixtrans-68.2-33.8-179.5-67.5-34.2000111.4I315 G316 K322 Q323I315-N319 HydrophobicContact CD1-CB 3.5Å; I315-N319 HydrophobicContact CG1-CB 3.68Å; I315-N319 PolarHBondContact O-ND2 2.98Å; I315-N319 VanDerWaalsContact O-ND2 3.12Å; G316-N319 PolarHBondContact O-N 3.39Å; N319-K322 PolarHBondContact O-N 2.8Å; N319-Q323 WeakPolarHBondContact O-CG 3.49Å; N319-Q323 PolarHBondContact O-N 2.98Å; N319-Q323 VanDerWaalsContact O-N 3.13Å
320N95.4Very high90.5Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-63-49.2174.4-63.9-15.8000111M238 V239 N241 D314 I315 G316 Y317 Q318 K322 Q323 Y324M238-N320 VanDerWaalsContact O-CB 3.23Å; M238-N320 WeakPolarHBondContact O-CB 3.39Å; V239-N320 PolarHBondContact O-ND2 3.42Å; N241-N320 HydrophobicContact CB-CB 3.82Å; D314-N320 PolarHBondContact OD1-ND2 3.47Å; I315-N320 VanDerWaalsContact CG1-OD1 3.3Å; I315-N320 WeakPolarHBondContact CG1-OD1 3.46Å; I315-N320 PolarHBondContact N-OD1 3.34Å; G316-N320 PolarHBondContact O-N 3.22Å; G316-N320 PolarHBondContact O-ND2 3.26Å; G316-N320 PolarHBondContact O-OD1 3.34Å; Y317-N320 PolarHBondContact O-N 2.87Å; Q318-N320 VanDerWaalsContact C-N 3.29Å; Q318-N320 PolarHBondContact O-N 3.34Å; N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.33Å; N320-Q323 WeakPolarHBondContact O-CB 3.32Å; N320-Q323 PolarHBondContact O-N 3.37Å; N320-Q323 VanDerWaalsContact O-N 3.14Å; N320-Y324 WeakPolarHBondContact O-CD2 3.5Å
321I95.5Very high92.5Very high6 Ų649.1 Ų49.13%0.03124%0.241CC..Hα-helixtrans-59.7-43.7176.2-69.4170.5000111F235 M238 V239 Y317 Q318 Q323 Y324 L325 W329F235-I321 HydrophobicContact CE2-CD1 4.46Å; F235-I321 HydrophobicContact CZ-CD1 4.48Å; M238-I321 HydrophobicContact CB-CG1 4.39Å; V239-I321 HydrophobicContact CG2-CD1 4.43Å; Y317-I321 HydrophobicContact CD2-CD1 4.49Å; Y317-I321 VanDerWaalsContact O-CG1 3.23Å; Y317-I321 WeakPolarHBondContact O-CG1 3.35Å; Y317-I321 PolarHBondContact O-N 3.41Å; Q318-I321 PolarHBondContact O-N 2.87Å; I321-Q323 VanDerWaalsContact C-N 3.25Å; I321-Q323 PolarHBondContact O-N 3.37Å; I321-Y324 PolarHBondContact O-N 2.97Å; I321-L325 HydrophobicContact CG2-CD1 3.84Å; I321-L325 PolarHBondContact O-N 3.03Å; I321-W329 HydrophobicContact CG2-CB 4.05Å; I321-W329 HydrophobicContact CG2-CD2 3.65Å; I321-W329 HydrophobicContact CG2-CE3 3.63Å; I321-W329 HydrophobicContact CG2-CG 3.87Å; I321-W329 HydrophobicContact CG2-CZ3 4.31Å
322K95.7Very high93.5Very high50 Ų5048.8 Ų48.822%0.21724%0.239CC..Hα-helixtrans-59.1-33176.4-76.9-175.3174-159.30113.3Q318 N319 N320 Y324 G326 E327 T343Q318-K322 WeakPolarHBondContact O-CG 3.43Å; Q318-K322 PolarHBondContact O-N 2.82Å; N319-K322 PolarHBondContact O-N 2.8Å; N320-K322 VanDerWaalsContact C-N 3.34Å; N320-K322 PolarHBondContact O-N 3.33Å; K322-Y324 PolarHBondContact O-N 3.41Å; K322-G326 WeakPolarHBondContact O-CA 3.27Å; K322-G326 PolarHBondContact O-N 2.95Å; K322-E327 WeakPolarHBondContact CE-OE2 3.34Å; K322-E327 IonicContact NZ-OE2 3.74Å; K322-E327 PolarHBondContact NZ-OE2 3.25Å; K322-T343 HydrophobicContact CB-CG2 3.87Å
323Q94.8Very high93.9Very high1 Ų148.5 Ų48.51%0.00524%0.237CC..Hα-helixtrans-62.3-30.6175-72.5-176.34900112.3R132 N241 N319 N320 I321 T343 T344R132-Q323 VanDerWaalsContact NH1-C 3.26Å; R132-Q323 PolarHBondContact NH1-O 2.69Å; R132-Q323 PolarHBondContact NH2-O 3.41Å; R132-Q323 VanDerWaalsContact NH2-O 3.1Å; N241-Q323 PolarHBondContact ND2-NE2 3.5Å; N241-Q323 PolarHBondContact ND2-OE1 3Å; N319-Q323 WeakPolarHBondContact O-CG 3.49Å; N319-Q323 PolarHBondContact O-N 2.98Å; N319-Q323 VanDerWaalsContact O-N 3.13Å; N320-Q323 WeakPolarHBondContact O-CB 3.32Å; N320-Q323 PolarHBondContact O-N 3.37Å; N320-Q323 VanDerWaalsContact O-N 3.14Å; I321-Q323 VanDerWaalsContact C-N 3.25Å; I321-Q323 PolarHBondContact O-N 3.37Å; Q323-T343 WeakPolarHBondContact CA-OG1 3.36Å; Q323-T344 HydrophobicContact CG-CG2 4.19Å
324Y95.3Very high94Very high0 Ų052.1 Ų52.10%026%0.258CS..Hα-helixtrans-88.1-40-179.1-77.5-78.9000113.4W149 M238 N241 Q242 N320 I321 K322W149-Y324 HydrophobicContact CB-CD1 4.38Å; W149-Y324 AromaticContact CD1-CE1 3.99Å; W149-Y324 AromaticContact CD2-CD1 3.27Å; W149-Y324 HydrophobicContact CD2-CD1 3.27Å; W149-Y324 AromaticContact CD2-CE1 3.91Å; W149-Y324 HydrophobicContact CD2-CE1 3.91Å; W149-Y324 HydrophobicContact CD2-CG 4.15Å; W149-Y324 AromaticContact CE2-CD1 3.52Å; W149-Y324 AromaticContact CE2-CE1 3.73Å; W149-Y324 AromaticContact CE3-CD1 3.47Å; W149-Y324 HydrophobicContact CE3-CD1 3.47Å; W149-Y324 VanDerWaalsContact CE3-CD1 3.47Å; W149-Y324 HydrophobicContact CE3-CE1 4.47Å; W149-Y324 AromaticContact CE3-CG 3.89Å; W149-Y324 HydrophobicContact CE3-CG 3.89Å; W149-Y324 AromaticContact CG-CD1 3.67Å; W149-Y324 HydrophobicContact CG-CD1 3.67Å; W149-Y324 HydrophobicContact CG-CE1 4.1Å; W149-Y324 HydrophobicContact CH2-CD1 4.19Å; W149-Y324 HydrophobicContact CH2-CG 4.36Å; W149-Y324 HydrophobicContact CZ2-CD1 4Å; W149-Y324 HydrophobicContact CZ2-CE1 4.24Å; W149-Y324 AromaticContact CZ3-CD1 3.9Å; W149-Y324 HydrophobicContact CZ3-CD1 3.9Å; W149-Y324 AromaticContact CZ3-CG 3.97Å; W149-Y324 HydrophobicContact CZ3-CG 3.97Å; W149-Y324 AromaticContact NE1-CD1 3.96Å; W149-Y324 AromaticContact NE1-CE1 3.79Å; M238-Y324 HydrophobicContact CB-CD2 4.24Å; M238-Y324 HydrophobicContact CG-CD2 3.87Å; M238-Y324 HydrophobicContact CG-CE2 4.4Å; M238-Y324 HydrophobicContact CG-CG 3.95Å; N241-Y324 WeakPolarHBondContact OD1-CE2 3.46Å; Q242-Y324 VanDerWaalsContact C-OH 3.23Å; Q242-Y324 PolarHBondContact O-OH 3Å; N320-Y324 WeakPolarHBondContact O-CD2 3.5Å; I321-Y324 PolarHBondContact O-N 2.97Å; K322-Y324 PolarHBondContact O-N 3.41Å
325L95.9Very high94Very high0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-114.1-6.5-167.6-63.9168.3000114W149 R150 C153 M238 I321 W329 A332 I333 S340W149-L325 HydrophobicContact CE3-CD2 4.46Å; W149-L325 HydrophobicContact CZ3-CD2 4.17Å; W149-L325 HydrophobicContact CZ3-CG 4.4Å; R150-L325 HydrophobicContact CB-CD2 4.12Å; R150-L325 HydrophobicContact CG-CD2 3.93Å; C153-L325 HydrophobicContact CB-CD2 4.39Å; M238-L325 HydrophobicContact SD-CD1 3.79Å; M238-L325 HydrophobicContact SD-CG 4.21Å; I321-L325 HydrophobicContact CG2-CD1 3.84Å; I321-L325 PolarHBondContact O-N 3.03Å; L325-W329 HydrophobicContact CB-CB 3.59Å; L325-W329 HydrophobicContact CD1-CB 4.28Å; L325-A332 WeakPolarHBondContact O-CB 3.45Å; L325-I333 HydrophobicContact CD1-CD1 3.45Å; L325-I333 VanDerWaalsContact CD1-CD1 3.45Å; L325-I333 HydrophobicContact CD1-CG1 3.34Å; L325-I333 HydrophobicContact CD2-CG1 4.12Å; L325-I333 HydrophobicContact CG-CG1 4.3Å; L325-S340 VanDerWaalsContact O-CB 3.31Å; L325-S340 WeakPolarHBondContact O-CB 3.43Å; L325-S340 PolarHBondContact O-OG 2.9Å
326G95.1Very high93.9Very high0 Ų049.2 Ų49.20%025%0.245CC..  trans84.5-175.8-18000000114.5K322 H328 W329 S340 P341K322-G326 WeakPolarHBondContact O-CA 3.27Å; K322-G326 PolarHBondContact O-N 2.95Å; G326-H328 VanDerWaalsContact C-N 3.28Å; G326-H328 PolarHBondContact O-N 2.98Å; G326-W329 WeakPolarHBondContact O-CB 3.36Å; G326-W329 PolarHBondContact O-N 3.37Å; G326-S340 VanDerWaalsContact C-OG 3.29Å; G326-S340 WeakPolarHBondContact CA-OG 3.25Å; G326-P341 CarbonylContact C-O 3.58Å; G326-P341 WeakPolarHBondContact CA-O 3.49Å
327E95.6Very high93.9Very high83 Ų8353.6 Ų53.639%0.38826%0.255SS..THydrogen-bonded Turntrans-61-34.9-175.7-72.7-60.1154.800113.5K322 W329 S340 P341 T343K322-E327 WeakPolarHBondContact CE-OE2 3.34Å; K322-E327 IonicContact NZ-OE2 3.74Å; K322-E327 PolarHBondContact NZ-OE2 3.25Å; E327-W329 VanDerWaalsContact C-N 3.33Å; E327-W329 PolarHBondContact O-N 3.06Å; E327-S340 PolarHBondContact N-OG 3.41Å; E327-P341 HydrophobicContact CB-CG 4.3Å; E327-P341 HydrophobicContact CG-CG 4.36Å; E327-P341 PolarHBondContact N-O 3.12Å; E327-T343 HydrophobicContact CG-CG2 4.29Å; E327-T343 WeakPolarHBondContact OE1-CG2 3.41Å
328H95Very high93.9Very high101 Ų10149.8 Ų49.847%0.46824%0.243SC..THydrogen-bonded Turntrans-98.441.7-179.3-55.8-53.9000111.8G326 I330 L331 A332 S340G326-H328 VanDerWaalsContact C-N 3.28Å; G326-H328 PolarHBondContact O-N 2.98Å; H328-I330 VanDerWaalsContact C-N 3.32Å; H328-I330 PolarHBondContact O-N 3.35Å; H328-I330 VanDerWaalsContact O-N 3.16Å; H328-L331 PolarHBondContact O-N 2.89Å; H328-A332 VanDerWaalsContact O-CB 3.28Å; H328-A332 WeakPolarHBondContact O-CB 3.31Å; H328-A332 PolarHBondContact O-N 3.33Å; H328-S340 PolarHBondContact N-OG 3.34Å; H328-S340 VanDerWaalsContact N-OG 3.07Å
329W93.6Very high93.7Very high63 Ų6352.2 Ų52.224%0.23925%0.254CS..Hα-helixtrans-54.4-37.8-168.366-89.2000114.9I321 L325 G326 E327 A332 I333I321-W329 HydrophobicContact CG2-CB 4.05Å; I321-W329 HydrophobicContact CG2-CD2 3.65Å; I321-W329 HydrophobicContact CG2-CE3 3.63Å; I321-W329 HydrophobicContact CG2-CG 3.87Å; I321-W329 HydrophobicContact CG2-CZ3 4.31Å; L325-W329 HydrophobicContact CB-CB 3.59Å; L325-W329 HydrophobicContact CD1-CB 4.28Å; G326-W329 WeakPolarHBondContact O-CB 3.36Å; G326-W329 PolarHBondContact O-N 3.37Å; E327-W329 VanDerWaalsContact C-N 3.33Å; E327-W329 PolarHBondContact O-N 3.06Å; W329-A332 WeakPolarHBondContact O-CB 3.41Å; W329-A332 PolarHBondContact O-N 2.62Å; W329-I333 HydrophobicContact CE3-CD1 3.89Å; W329-I333 HydrophobicContact CZ3-CD1 4.24Å; W329-I333 WeakPolarHBondContact O-CG1 3.35Å; W329-I333 PolarHBondContact O-N 3.24Å
330I93Very high93.7Very high100 Ų10048.9 Ų48.951%0.51324%0.237SC..Hα-helixtrans-60.1-51.9180-61.4175000110.4H328 A332H328-I330 VanDerWaalsContact C-N 3.32Å; H328-I330 PolarHBondContact O-N 3.35Å; H328-I330 VanDerWaalsContact O-N 3.16Å; I330-A332 VanDerWaalsContact C-N 3.32Å
331L94.1Very high93.7Very high93 Ų9351.4 Ų51.449%0.48725%0.254SS..Hα-helixtrans-69.3-34.7178.5-64.4-179.9000111.4H328 I333 L334 C335 I338H328-L331 PolarHBondContact O-N 2.89Å; L331-I333 VanDerWaalsContact C-N 3.33Å; L331-I333 PolarHBondContact O-N 3.11Å; L331-L334 PolarHBondContact O-N 3.33Å; L331-C335 PolarHBondContact O-N 3.35Å; L331-I338 HydrophobicContact CB-CD1 3.74Å; L331-I338 HydrophobicContact CB-CG2 4.05Å
332A92.9Very high93.7Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-64.1-34.1-179.200000113.5R150 N154 L325 H328 W329 I330R150-A332 PolarHBondContact NE-O 3.27Å; R150-A332 PolarHBondContact NH2-O 2.8Å; N154-A332 PolarHBondContact ND2-O 2.9Å; L325-A332 WeakPolarHBondContact O-CB 3.45Å; H328-A332 VanDerWaalsContact O-CB 3.28Å; H328-A332 WeakPolarHBondContact O-CB 3.31Å; H328-A332 PolarHBondContact O-N 3.33Å; W329-A332 WeakPolarHBondContact O-CB 3.41Å; W329-A332 PolarHBondContact O-N 2.62Å; I330-A332 VanDerWaalsContact C-N 3.32Å
333I92.3Very high93.6Very high43 Ų4354.3 Ų54.322%0.22127%0.273CS..Hα-helixtrans-67.5-42.8173.5-69.4168.7000110.6N154 L157 L325 W329 L331N154-I333 PolarHBondContact ND2-O 3.46Å; L157-I333 HydrophobicContact CD2-CG2 3.96Å; L157-I333 WeakPolarHBondContact CD2-O 3.41Å; L325-I333 HydrophobicContact CD1-CD1 3.45Å; L325-I333 VanDerWaalsContact CD1-CD1 3.45Å; L325-I333 HydrophobicContact CD1-CG1 3.34Å; L325-I333 HydrophobicContact CD2-CG1 4.12Å; L325-I333 HydrophobicContact CG-CG1 4.3Å; W329-I333 HydrophobicContact CE3-CD1 3.89Å; W329-I333 HydrophobicContact CZ3-CD1 4.24Å; W329-I333 WeakPolarHBondContact O-CG1 3.35Å; W329-I333 PolarHBondContact O-N 3.24Å; L331-I333 VanDerWaalsContact C-N 3.33Å; L331-I333 PolarHBondContact O-N 3.11Å
334L91.8Very high93.6Very high108 Ų10855 Ų5557%0.56528%0.277SS*.Hα-helixtrans-81.7-18.8-171.6-65.1178.4000114.3Y158 L331Y158-L334 PolarHBondContact OH-O 2.96Å; L331-L334 PolarHBondContact O-N 3.33Å
335C92.2Very high93.4Very high34 Ų3458.9 Ų58.923%0.2330%0.298CS..  trans-147123.6-179.6-178.50000110.8R150 L331 F337 I338R150-C335 PolarHBondContact NH2-O 3.01Å; L331-C335 PolarHBondContact O-N 3.35Å; C335-F337 PolarHBondContact O-N 3.44Å; C335-I338 HydrophobicContact CB-CD1 3.65Å; C335-I338 HydrophobicContact CB-CG1 3.81Å
336P90.2Very high93.3Very high2 Ų258.9 Ų58.91%0.01330%0.298CS..THydrogen-bonded Turntrans-71.1-19.8-177.929.6-33.6000112.3L85 Y151 N154 Y158L85-P336 HydrophobicContact CD1-CB 4.11Å; Y151-P336 HydrophobicContact CD1-CB 4.48Å; Y151-P336 WeakPolarHBondContact CE1-O 3.5Å; N154-P336 HydrophobicContact CB-CB 4.19Å; Y158-P336 HydrophobicContact CE2-CG 4.44Å
337F91.8Very high93.2Very high127 Ų12759.3 Ų59.356%0.55730%0.301SS*.THydrogen-bonded Turntrans-86.2-18.2-175.6-51.6-67.9000114.1S81 L85 C335 H339S81-F337 VanDerWaalsContact CB-CZ 3.41Å; S81-F337 WeakPolarHBondContact OG-CZ 3.17Å; L85-F337 HydrophobicContact CD1-CD1 4.43Å; L85-F337 HydrophobicContact CD1-CE1 4.48Å; C335-F337 PolarHBondContact O-N 3.44Å; F337-H339 PolarHBondContact O-N 2.94Å
338I92.1Very high93Very high59 Ų5956.9 Ų56.930%0.30329%0.293SS..SBendtrans-66.7129.6-179.4-69.4178.8000109.1R150 L331 C335 S340R150-I338 PolarHBondContact NH1-O 3.46Å; R150-I338 PolarHBondContact NH2-O 3.32Å; L331-I338 HydrophobicContact CB-CD1 3.74Å; L331-I338 HydrophobicContact CB-CG2 4.05Å; C335-I338 HydrophobicContact CB-CD1 3.65Å; C335-I338 HydrophobicContact CB-CG1 3.81Å; I338-S340 PolarHBondContact O-N 3.2Å
339H91.7Very high92.9Very high148 Ų14853 Ų5369%0.68527%0.274SS*.  trans-70.6131.5174.3-17268.3000110.1F337F337-H339 PolarHBondContact O-N 2.94Å
340S94.6Very high92.7Very high9 Ų952.5 Ų52.56%0.06328%0.279CS..  trans-141.3101.7175.9-174.60000107.9L325 G326 E327 H328 I338L325-S340 VanDerWaalsContact O-CB 3.31Å; L325-S340 WeakPolarHBondContact O-CB 3.43Å; L325-S340 PolarHBondContact O-OG 2.9Å; G326-S340 VanDerWaalsContact C-OG 3.29Å; G326-S340 WeakPolarHBondContact CA-OG 3.25Å; E327-S340 PolarHBondContact N-OG 3.41Å; H328-S340 PolarHBondContact N-OG 3.34Å; H328-S340 VanDerWaalsContact N-OG 3.07Å; I338-S340 PolarHBondContact O-N 3.2Å
341P94.5Very high92.5Very high53 Ų5350.3 Ų50.334%0.34427%0.268SS..  trans-67134.7-176.926.9-33.1000110.2G326 E327G326-P341 CarbonylContact C-O 3.58Å; G326-P341 WeakPolarHBondContact CA-O 3.49Å; E327-P341 HydrophobicContact CB-CG 4.3Å; E327-P341 HydrophobicContact CG-CG 4.36Å; E327-P341 PolarHBondContact N-O 3.12Å
342L95.4Very high91.9Very high60 Ų6046.2 Ų46.231%0.31425%0.247SC..  trans-69.6143175.5-66.3176.3000110.2H146 T344H146-L342 VanDerWaalsContact CE1-CD1 3.47Å; H146-L342 WeakPolarHBondContact CE1-CD1 3.45Å; H146-L342 WeakPolarHBondContact O-CD1 3.47Å; L342-T344 PolarHBondContact O-N 2.84Å
343T94.3Very high90.9Very high57 Ų5750.8 Ų50.835%0.3527%0.271SS..SBendtrans-79.2-7.9-178.762.90000113.9K322 Q323 E327K322-T343 HydrophobicContact CB-CG2 3.87Å; Q323-T343 WeakPolarHBondContact CA-OG1 3.36Å; E327-T343 HydrophobicContact CG-CG2 4.29Å; E327-T343 WeakPolarHBondContact OE1-CG2 3.41Å
344T93.6Very high89.4Confident14 Ų1451.6 Ų51.69%0.08628%0.281CS..SBendtrans-131.7149.3-178.757.10000110H146 Q323 L342 G346 Y349H146-T344 PolarHBondContact CE1-O 3.45Å; H146-T344 PolarHBondContact NE2-O 3.26Å; H146-T344 PolarHBondContact NE2-OG1 3.05Å; H146-T344 VanDerWaalsContact NE2-OG1 3.1Å; Q323-T344 HydrophobicContact CG-CG2 4.19Å; L342-T344 PolarHBondContact O-N 2.84Å; T344-G346 VanDerWaalsContact C-N 3.25Å; T344-G346 PolarHBondContact O-N 3.27Å; T344-Y349 HydrophobicContact CG2-CD1 4Å
345D92.2Very high87.8Confident82 Ų8247.8 Ų47.844%0.43926%0.262SS..  trans-82.9-2179.468.5-14000113.6L347 S348D345-L347 PolarHBondContact O-N 3.24Å; D345-L347 PolarHBondContact OD1-N 2.88Å; D345-S348 PolarHBondContact OD1-N 3.27Å; D345-S348 PolarHBondContact OD1-OG 3.24Å
346G92.9Very high86.1Confident0 Ų052 Ų520%028%0.276CS..SBendtrans81.2-4.3-176.900000114.2H146 T344 Y349H146-G346 PolarHBondContact CE1-N 3.42Å; H146-G346 PolarHBondContact NE2-N 2.91Å; T344-G346 VanDerWaalsContact C-N 3.25Å; T344-G346 PolarHBondContact O-N 3.27Å; G346-Y349 VanDerWaalsContact CA-OH 3.27Å; G346-Y349 WeakPolarHBondContact CA-OH 3.21Å; G346-Y349 PolarHBondContact O-OH 3.22Å; G346-Y349 VanDerWaalsContact O-OH 3.06Å
347L93.2Very high84.4Confident10 Ų1060.5 Ų60.55%0.05231%0.313CS..SBendtrans-108-21.9179.7-54.2-179.9000112L96 L98 K101 W106 P117 L131 D345L96-L347 HydrophobicContact CD1-CD2 4.4Å; L98-L347 HydrophobicContact CD2-CD2 3.68Å; K101-L347 HydrophobicContact CB-CD1 4.4Å; K101-L347 HydrophobicContact CD-CD1 3.49Å; K101-L347 VanDerWaalsContact CD-CD1 3.49Å; W106-L347 HydrophobicContact CH2-CD2 4.37Å; W106-L347 HydrophobicContact CZ2-CB 4.09Å; P117-L347 HydrophobicContact CB-CD2 4.24Å; P117-L347 HydrophobicContact CG-CD2 3.57Å; L131-L347 HydrophobicContact CD1-CD2 4.4Å; L131-L347 HydrophobicContact CD2-CD2 4.1Å; D345-L347 PolarHBondContact O-N 3.24Å; D345-L347 PolarHBondContact OD1-N 2.88Å
348S91.4Very high82.1Confident32 Ų3264.9 Ų64.922%0.22433%0.332CS..  trans-141.9147175.7600000111.7R103 D345R103-S348 PolarHBondContact NH2-OG 2.73Å; D345-S348 PolarHBondContact OD1-N 3.27Å; D345-S348 PolarHBondContact OD1-OG 3.24Å
349Y92.1Very high81.6Confident20 Ų2065.2 Ų65.28%0.07833%0.334CS..  trans-132.6141.3-177.4-58.7-84.9000109.5P118 R119 R132 T344 G346P118-Y349 HydrophobicContact CB-CD2 4.48Å; P118-Y349 WeakPolarHBondContact O-CE2 3.5Å; R119-Y349 HydrophobicContact CB-CE2 4.09Å; R119-Y349 VanDerWaalsContact CD-CD2 3.49Å; R119-Y349 HydrophobicContact CG-CD2 3.93Å; R119-Y349 HydrophobicContact CG-CE2 3.99Å; R132-Y349 HydrophobicContact CB-CE1 4.41Å; R132-Y349 WeakPolarHBondContact CB-OH 3.29Å; T344-Y349 HydrophobicContact CG2-CD1 4Å; G346-Y349 VanDerWaalsContact CA-OH 3.27Å; G346-Y349 WeakPolarHBondContact CA-OH 3.21Å; G346-Y349 PolarHBondContact O-OH 3.22Å; G346-Y349 VanDerWaalsContact O-OH 3.06Å
350P91Very high81.1Confident52 Ų5260.8 Ų60.834%0.33832%0.315SS..  trans-64140.1169.929.9-35.5000109.8I315I315-P350 HydrophobicContact CD1-CB 3.93Å; I315-P350 HydrophobicContact CD1-CG 3.47Å; I315-P350 VanDerWaalsContact CD1-CG 3.47Å; I315-P350 HydrophobicContact CG1-CG 4.49Å; I315-P350 HydrophobicContact CG2-CB 4.42Å
351I87.2Confident80.4Confident54 Ų5463.7 Ų63.728%0.27733%0.329SS..  trans-111.3147.4-178.7-61.5174.9000108.1L312 Y313 V355 K356L312-I351 HydrophobicContact CD1-CG2 3.55Å; L312-I351 HydrophobicContact CG-CG2 4.07Å; L312-I351 WeakPolarHBondContact O-CA 3.21Å; L312-I351 WeakPolarHBondContact O-CG2 3.43Å; Y313-I351 HydrophobicContact CD1-CG1 4.29Å; Y313-I351 HydrophobicContact CE1-CG1 4.17Å; I351-V355 HydrophobicContact CG2-CB 3.91Å; I351-V355 HydrophobicContact CG2-CG1 4.1Å; I351-V355 HydrophobicContact CG2-CG2 4.34Å; I351-K356 WeakPolarHBondContact O-CE 3.15Å
352S81.5Confident79.5Confident6 Ų664.3 Ų64.34%0.04233%0.328CS..  trans-55138.6177.775.70000111.9L312 D314 S354 V355 K356L312-S352 PolarHBondContact O-N 3.22Å; D314-S352 WeakPolarHBondContact O-CB 3.15Å; S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.32Å; S352-V355 PolarHBondContact O-N 3.45Å; S352-V355 WeakPolarHBondContact OG-CG2 3.43Å; S352-K356 PolarHBondContact O-N 2.95Å
353D72.1Confident78.5Confident96 Ų9664.6 Ų64.651%0.51333%0.329SS..Hα-helixtrans-65-25.1179.5-66.2-32.5000112V355 K356 F357D353-V355 PolarHBondContact O-N 3.25Å; D353-V355 VanDerWaalsContact O-N 3.09Å; D353-K356 PolarHBondContact O-N 3.44Å; D353-K356 VanDerWaalsContact O-N 3.07Å; D353-K356 IonicContact OD1-NZ 2.8Å; D353-K356 PolarHBondContact OD1-NZ 3.4Å; D353-F357 HydrophobicContact CB-CD2 4.32Å; D353-F357 HydrophobicContact CB-CE2 4.18Å; D353-F357 VanDerWaalsContact O-CD2 3.31Å; D353-F357 WeakPolarHBondContact O-CD2 3.33Å; D353-F357 PolarHBondContact O-N 3.46Å
354S61.8Low77.5Confident60 Ų6065.1 Ų65.142%0.4233%0.328SS..Hα-helixtrans-58.3-20.4172590000114.1S352S352-S354 PolarHBondContact O-N 2.93Å; S352-S354 PolarHBondContact OG-OG 3.32Å
355V58.8Low76.3Confident28 Ų2868.7 Ų68.717%0.1735%0.345CS..Hα-helixtrans-96.8-29.2176.2179.70000111.5Y309 L312 I351 S352 D353Y309-V355 HydrophobicContact CD1-CG2 3.52Å; Y309-V355 HydrophobicContact CE1-CB 4.37Å; Y309-V355 HydrophobicContact CE1-CG1 4.48Å; Y309-V355 HydrophobicContact CE1-CG2 3.52Å; L312-V355 HydrophobicContact CD1-CB 4.22Å; L312-V355 HydrophobicContact CD1-CG1 3.79Å; L312-V355 HydrophobicContact CD1-CG2 3.78Å; I351-V355 HydrophobicContact CG2-CB 3.91Å; I351-V355 HydrophobicContact CG2-CG1 4.1Å; I351-V355 HydrophobicContact CG2-CG2 4.34Å; S352-V355 PolarHBondContact O-N 3.45Å; S352-V355 WeakPolarHBondContact OG-CG2 3.43Å; D353-V355 PolarHBondContact O-N 3.25Å; D353-V355 VanDerWaalsContact O-N 3.09Å
356K56.6Low75.1Confident123 Ų12367.7 Ų67.754%0.53534%0.338SS..Hα-helixtrans-71.7-28.9-178-67.6-177.4-164.7146.90113.8I351 S352 D353I351-K356 WeakPolarHBondContact O-CE 3.15Å; S352-K356 PolarHBondContact O-N 2.95Å; D353-K356 PolarHBondContact O-N 3.44Å; D353-K356 VanDerWaalsContact O-N 3.07Å; D353-K356 IonicContact OD1-NZ 2.8Å; D353-K356 PolarHBondContact OD1-NZ 3.4Å
357F54.1Low73.6Confident181 Ų18173.3 Ų73.379%0.79437%0.366SS*.THydrogen-bonded Turntrans-102.715.3-175.2-64-71.9000114.2D353D353-F357 HydrophobicContact CB-CD2 4.32Å; D353-F357 HydrophobicContact CB-CE2 4.18Å; D353-F357 VanDerWaalsContact O-CD2 3.31Å; D353-F357 WeakPolarHBondContact O-CD2 3.33Å; D353-F357 PolarHBondContact O-N 3.46Å
358K43.8Very low71.9Confident218 Ų21879.1 Ų79.195%0.94839%0.394SS*.  trans-121.10171.4-74.2-174.5177.1-177.90109.4

Retrieved 358 of 358 residues in 113 ms (Link to these results)

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