G4LUE2_SCHMA Loading...

Tumor protein p53-inducible protein 11

AlphaFold DB , UniProt , Accession G4LUE2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 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
1M61.6Low71.4Confident206 Ų206128.5 Ų128.5100%1.01563%0.633SS**  0-45.70-146.7169.3-17400112.9A3 F4 I5M1-A3 PolarHBondContact O-N 2.95Å; M1-F4 PolarHBondContact O-N 2.98Å; M1-I5 PolarHBondContact O-N 2.92Å
2K68.9Low72.2Confident183 Ų183123.6 Ų123.680%0.79662%0.62SS**Hα-helixtrans-53.7-47.1-179.2-144.1178.5-175.5-173.60114.7F4 I5 E6K2-F4 VanDerWaalsContact C-N 3.27Å; K2-F4 PolarHBondContact O-N 3.49Å; K2-I5 PolarHBondContact O-N 2.77Å; K2-I5 VanDerWaalsContact O-N 3.14Å; K2-E6 PolarHBondContact O-N 3.2Å; K2-E6 VanDerWaalsContact O-N 3.08Å
3A70.2Confident73.2Confident75 Ų75119.7 Ų119.762%0.6260%0.603SS**Hα-helixtrans-62.8-27.618000000114.7M1 R7M1-A3 PolarHBondContact O-N 2.95Å; A3-R7 WeakPolarHBondContact O-CB 3.26Å; A3-R7 PolarHBondContact O-N 2.87Å
4F72Confident73.8Confident132 Ų132118.5 Ų118.558%0.57960%0.598SS**Hα-helixtrans-76.7-33.6177.3-176.1-105.7000111.9M1 K2 K8M1-F4 PolarHBondContact O-N 2.98Å; K2-F4 VanDerWaalsContact C-N 3.27Å; K2-F4 PolarHBondContact O-N 3.49Å; F4-K8 HydrophobicContact CD1-CD 4.32Å; F4-K8 HydrophobicContact CE1-CD 3.89Å; F4-K8 HydrophobicContact CZ-CD 4.28Å; F4-K8 PolarHBondContact O-N 3.07Å
5I73Confident74.2Confident100 Ų100118.5 Ų118.551%0.51360%0.599SS.*Hα-helixtrans-69.6-47.4175.8-62.9174.5000109.6M1 K2 R7 K8 E9M1-I5 PolarHBondContact O-N 2.92Å; K2-I5 PolarHBondContact O-N 2.77Å; K2-I5 VanDerWaalsContact O-N 3.14Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.81Å; I5-K8 WeakPolarHBondContact O-CB 3.09Å; I5-K8 PolarHBondContact O-N 3.27Å; I5-E9 PolarHBondContact O-N 2.92Å
6E73.9Confident74.7Confident135 Ų135115.1 Ų115.163%0.63159%0.59SS**Hα-helixtrans-60.7-39.6-179.9-169.5174.9-177.200112.5K2 K8 E9 S10K2-E6 PolarHBondContact O-N 3.2Å; K2-E6 VanDerWaalsContact O-N 3.08Å; E6-K8 PolarHBondContact O-N 2.79Å; E6-E9 PolarHBondContact O-N 3.02Å; E6-S10 PolarHBondContact O-N 3.16Å
7R70Confident75.2Confident194 Ų194117.1 Ų117.173%0.73259%0.588SS**Hα-helixtrans-67.4-34.3174.8-170.9-177.3-87.6178.2-6.4112.5A3 I5 S10 S11A3-R7 WeakPolarHBondContact O-CB 3.26Å; A3-R7 PolarHBondContact O-N 2.87Å; I5-R7 VanDerWaalsContact C-N 3.33Å; I5-R7 PolarHBondContact O-N 2.81Å; R7-S10 PolarHBondContact O-OG 2.88Å; R7-S11 WeakPolarHBondContact O-CB 3.39Å; R7-S11 PolarHBondContact O-N 2.85Å; R7-S11 VanDerWaalsContact O-N 3.16Å; R7-S11 PolarHBondContact O-OG 3.46Å
8K70.4Confident75.2Confident126 Ų126115.6 Ų115.655%0.54858%0.575SS.*Hα-helixtrans-69.1-39.4175.2-82.4-174.4169.9-175.50111.7F4 I5 E6 S11 S12F4-K8 HydrophobicContact CD1-CD 4.32Å; F4-K8 HydrophobicContact CE1-CD 3.89Å; F4-K8 HydrophobicContact CZ-CD 4.28Å; F4-K8 PolarHBondContact O-N 3.07Å; I5-K8 WeakPolarHBondContact O-CB 3.09Å; I5-K8 PolarHBondContact O-N 3.27Å; E6-K8 PolarHBondContact O-N 2.79Å; K8-S11 PolarHBondContact O-OG 3.05Å; K8-S12 PolarHBondContact O-N 2.79Å; K8-S12 PolarHBondContact O-OG 3.07Å
9E72.4Confident75.4Confident134 Ų134117.3 Ų117.363%0.62658%0.579SS**Hα-helixtrans-68.8-39.8177.5-163.3174.7-175.400112I5 E6 S11 S12 D13I5-E9 PolarHBondContact O-N 2.92Å; E6-E9 PolarHBondContact O-N 3.02Å; E9-S11 PolarHBondContact O-N 3.07Å; E9-S12 PolarHBondContact O-N 3.26Å; E9-S12 PolarHBondContact O-OG 3.21Å; E9-D13 WeakPolarHBondContact O-CB 3.5Å; E9-D13 PolarHBondContact O-N 3.44Å
10S76.8Confident75.3Confident63 Ų63114 Ų11444%0.44157%0.571SS.*Hα-helixtrans-68.4-37.517787.60000112.7E6 R7 L14E6-S10 PolarHBondContact O-N 3.16Å; R7-S10 PolarHBondContact O-OG 2.88Å; S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.45Å; S10-L14 PolarHBondContact O-N 3.24Å
11S76.6Confident75.3Confident66 Ų66114.8 Ų114.846%0.46257%0.567SS.*Hα-helixtrans-71.2-35.4177.855.50000112.9R7 K8 E9 L15R7-S11 WeakPolarHBondContact O-CB 3.39Å; R7-S11 PolarHBondContact O-N 2.85Å; R7-S11 VanDerWaalsContact O-N 3.16Å; R7-S11 PolarHBondContact O-OG 3.46Å; K8-S11 PolarHBondContact O-OG 3.05Å; E9-S11 PolarHBondContact O-N 3.07Å; S11-L15 WeakPolarHBondContact O-CB 3.24Å; S11-L15 PolarHBondContact O-N 2.97Å; S11-L15 VanDerWaalsContact O-N 3.17Å
12S81.2Confident75.6Confident69 Ų69110.3 Ų110.348%0.48354%0.542SS..Hα-helixtrans-69.3-39.9173.665.60000112K8 E9 L15 S16K8-S12 PolarHBondContact O-N 2.79Å; K8-S12 PolarHBondContact O-OG 3.07Å; E9-S12 PolarHBondContact O-N 3.26Å; E9-S12 PolarHBondContact O-OG 3.21Å; S12-L15 PolarHBondContact O-N 3.19Å; S12-S16 PolarHBondContact O-N 3.43Å
13D84.8Confident75.5Confident73 Ų73105 Ų10539%0.3952%0.521SS..Hα-helixtrans-61.4-49.6175.3-179.851.6000111.4E9 L15 S16 R17E9-D13 WeakPolarHBondContact O-CB 3.5Å; E9-D13 PolarHBondContact O-N 3.44Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.96Å; D13-S16 WeakPolarHBondContact O-CB 3.15Å; D13-S16 PolarHBondContact O-N 2.98Å; D13-S16 VanDerWaalsContact O-N 3.08Å; D13-S16 PolarHBondContact O-OG 3.03Å; D13-R17 WeakPolarHBondContact O-CG 3.37Å; D13-R17 PolarHBondContact O-N 3.46Å; D13-R17 WeakPolarHBondContact OD2-CD 3.5Å
14L81.9Confident75.3Confident103 Ų103106.8 Ų106.854%0.53952%0.519SS..Hα-helixtrans-58.5-40.8178.6-72.5174.1000112.4S10 R17 Y18S10-L14 WeakPolarHBondContact O-CB 3.44Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.45Å; S10-L14 PolarHBondContact O-N 3.24Å; L14-R17 PolarHBondContact O-N 3.19Å; L14-Y18 WeakPolarHBondContact O-CB 3.4Å; L14-Y18 PolarHBondContact O-N 3.03Å
15L79.6Confident74.7Confident118 Ų118102 Ų10262%0.61851%0.508SS*.Hα-helixtrans-67.1-38.7177.2-171.165.7000111.6S11 S12 D13 Y18 K19S11-L15 WeakPolarHBondContact O-CB 3.24Å; S11-L15 PolarHBondContact O-N 2.97Å; S11-L15 VanDerWaalsContact O-N 3.17Å; S12-L15 PolarHBondContact O-N 3.19Å; D13-L15 VanDerWaalsContact C-N 3.29Å; D13-L15 PolarHBondContact O-N 2.96Å; L15-Y18 PolarHBondContact O-N 3.47Å; L15-K19 WeakPolarHBondContact O-CB 3.29Å; L15-K19 PolarHBondContact O-N 3.36Å
16S82.1Confident74.1Confident64 Ų64101.9 Ų101.945%0.44851%0.511SS..Hα-helixtrans-64-42.9176.284.70000111.7S12 D13 K19 A20S12-S16 PolarHBondContact O-N 3.43Å; D13-S16 WeakPolarHBondContact O-CB 3.15Å; D13-S16 PolarHBondContact O-N 2.98Å; D13-S16 VanDerWaalsContact O-N 3.08Å; D13-S16 PolarHBondContact O-OG 3.03Å; S16-K19 PolarHBondContact O-N 3Å; S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.1Å
17R82.5Confident73.1Confident149 Ų14998.2 Ų98.256%0.56251%0.51SS*.Hα-helixtrans-69.7-36.8177.5-66.6179.174.4-175.54.4112.4D13 L14 R21D13-R17 WeakPolarHBondContact O-CG 3.37Å; D13-R17 PolarHBondContact O-N 3.46Å; D13-R17 WeakPolarHBondContact OD2-CD 3.5Å; L14-R17 PolarHBondContact O-N 3.19Å; R17-R21 WeakPolarHBondContact O-CB 3.49Å; R17-R21 WeakPolarHBondContact O-CG 3.26Å; R17-R21 PolarHBondContact O-N 2.94Å; R17-R21 PolarHBondContact O-NE 3.18Å
18Y76.8Confident72.4Confident90 Ų9095.2 Ų95.235%0.35350%0.504SS..Hα-helixtrans-64.5-45171.5178.2-101.5000111.3L14 L15 A20 R21 K22L14-Y18 WeakPolarHBondContact O-CB 3.4Å; L14-Y18 PolarHBondContact O-N 3.03Å; L15-Y18 PolarHBondContact O-N 3.47Å; Y18-A20 VanDerWaalsContact C-N 3.34Å; Y18-A20 PolarHBondContact O-N 3.47Å; Y18-R21 PolarHBondContact O-N 3.14Å; Y18-K22 HydrophobicContact CE1-CD 4.33Å; Y18-K22 WeakPolarHBondContact O-CB 3.49Å; Y18-K22 PolarHBondContact O-N 2.94Å
19K77.9Confident71.4Confident149 Ų14992.2 Ų92.265%0.64850%0.499SS*.Hα-helixtrans-60.7-42.3175.6-170.5178.7-178.4-1760111.8L15 S16 M23L15-K19 WeakPolarHBondContact O-CB 3.29Å; L15-K19 PolarHBondContact O-N 3.36Å; S16-K19 PolarHBondContact O-N 3Å; K19-M23 WeakPolarHBondContact O-CB 3.37Å; K19-M23 VanDerWaalsContact O-CG 3.23Å; K19-M23 WeakPolarHBondContact O-CG 3.4Å; K19-M23 PolarHBondContact O-N 2.8Å
20A74.7Confident70.6Confident50 Ų5092.3 Ų92.341%0.41351%0.514SS..Hα-helixtrans-62.4-47.2175.300000112.1S16 Y18 K22 M23 L24S16-A20 WeakPolarHBondContact O-CB 3.46Å; S16-A20 PolarHBondContact O-N 3.1Å; Y18-A20 VanDerWaalsContact C-N 3.34Å; Y18-A20 PolarHBondContact O-N 3.47Å; A20-K22 PolarHBondContact O-N 2.77Å; A20-M23 WeakPolarHBondContact O-CB 3.45Å; A20-M23 PolarHBondContact O-N 3.16Å; A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 VanDerWaalsContact O-CG 3.28Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.09Å
21R73.6Confident69.3Low132 Ų13292.6 Ų92.650%0.49853%0.528SS..Hα-helixtrans-61.4-43.3177.2-79.2-174.3-66.6176.82.1113.2R17 Y18 M23 L24 G25 V26R17-R21 WeakPolarHBondContact O-CB 3.49Å; R17-R21 WeakPolarHBondContact O-CG 3.26Å; R17-R21 PolarHBondContact O-N 2.94Å; R17-R21 PolarHBondContact O-NE 3.18Å; Y18-R21 PolarHBondContact O-N 3.14Å; R21-M23 VanDerWaalsContact C-N 3.35Å; R21-L24 CarbonylContact O-C 3.47Å; R21-L24 PolarHBondContact O-N 3.42Å; R21-G25 PolarHBondContact O-N 2.91Å; R21-V26 WeakPolarHBondContact CB-O 3.49Å; R21-V26 PolarHBondContact O-N 3.32Å
22K68.5Low67.7Low112 Ų11295.9 Ų95.949%0.48754%0.54SS..Hα-helixtrans-65.3-36.6174.9-172.3167.8-173.1161.90112.5Y18 A20 L24 G25Y18-K22 HydrophobicContact CE1-CD 4.33Å; Y18-K22 WeakPolarHBondContact O-CB 3.49Å; Y18-K22 PolarHBondContact O-N 2.94Å; A20-K22 PolarHBondContact O-N 2.77Å; K22-L24 VanDerWaalsContact C-N 3.32Å; K22-G25 PolarHBondContact O-N 3.44Å
23M66.2Low66.2Low70 Ų7099 Ų9935%0.34556%0.556SS.*Hα-helixtrans-64.4-38.5172.4-76-66.6-57.100111.9K19 A20 R21 G25 S36 K37 V38K19-M23 WeakPolarHBondContact O-CB 3.37Å; K19-M23 VanDerWaalsContact O-CG 3.23Å; K19-M23 WeakPolarHBondContact O-CG 3.4Å; K19-M23 PolarHBondContact O-N 2.8Å; A20-M23 WeakPolarHBondContact O-CB 3.45Å; A20-M23 PolarHBondContact O-N 3.16Å; R21-M23 VanDerWaalsContact C-N 3.35Å; M23-G25 VanDerWaalsContact C-N 3.33Å; M23-S36 WeakPolarHBondContact O-CB 3.19Å; M23-K37 HydrophobicContact CE-CB 3.85Å; M23-K37 PolarHBondContact O-N 3.36Å; M23-K37 VanDerWaalsContact O-N 3.09Å; M23-K37 HydrophobicContact SD-CB 3.58Å; M23-K37 VanDerWaalsContact SD-CB 3.58Å; M23-K37 HydrophobicContact SD-CD 3.36Å; M23-K37 WeakPolarHBondContact SD-CD 3.12Å; M23-K37 HydrophobicContact SD-CG 4.07Å; M23-V38 HydrophobicContact CE-CG2 4.41Å; M23-V38 PolarHBondContact O-N 2.98Å
24L66.1Low64.6Low113 Ų11399.8 Ų99.859%0.59256%0.563SS**Hα-helixtrans-81.9-4.9179.2-67.4169.7000114A20 R21 K22 V26 S36A20-L24 WeakPolarHBondContact O-CB 3.33Å; A20-L24 VanDerWaalsContact O-CG 3.28Å; A20-L24 WeakPolarHBondContact O-CG 3.38Å; A20-L24 PolarHBondContact O-N 3.09Å; R21-L24 CarbonylContact O-C 3.47Å; R21-L24 PolarHBondContact O-N 3.42Å; K22-L24 VanDerWaalsContact C-N 3.32Å; L24-V26 HydrophobicContact CB-CG2 4.05Å; L24-V26 PolarHBondContact O-N 3.4Å; L24-S36 WeakPolarHBondContact O-CB 3.35Å
25G60Low63.2Low33 Ų3396.8 Ų96.834%0.3455%0.551SS.*THydrogen-bonded Turntrans67.317.5-17700000113.8R21 K22 M23R21-G25 PolarHBondContact O-N 2.91Å; K22-G25 PolarHBondContact O-N 3.44Å; M23-G25 VanDerWaalsContact C-N 3.33Å
26V60.2Low62.3Low96 Ų9691.9 Ų91.958%0.58253%0.527SS*.  trans-96.597.5179.9-175.40000108.8R21 L24R21-V26 WeakPolarHBondContact CB-O 3.49Å; R21-V26 PolarHBondContact O-N 3.32Å; L24-V26 HydrophobicContact CB-CG2 4.05Å; L24-V26 PolarHBondContact O-N 3.4Å
27G53.7Low61Low59 Ų5993.6 Ų93.661%0.60853%0.526SS*.SBendtrans113.9128.6176.400000112.3
28E54.4Low59.6Low131 Ų13189.5 Ų89.561%0.61252%0.517SS*.  trans81.786.1-175.1-54.2174.3-162.200114.2V34E28-V34 VanDerWaalsContact O-CG2 3.26Å; E28-V34 WeakPolarHBondContact O-CG2 3.41Å
29S49.7Very low58.7Low63 Ų6388 Ų8844%0.44152%0.518SS..  trans-132.697.2147166.20000107.7G31 N32 V33S29-G31 PolarHBondContact O-N 3.32Å; S29-G31 PolarHBondContact OG-N 2.7Å; S29-N32 VanDerWaalsContact CB-O 3.22Å; S29-N32 WeakPolarHBondContact CB-O 3.42Å; S29-N32 WeakPolarHBondContact OG-CA 3.41Å; S29-N32 PolarHBondContact OG-N 2.86Å; S29-N32 PolarHBondContact OG-O 2.91Å; S29-V33 PolarHBondContact OG-N 3.44Å
30S55.8Low57.6Low135 Ų13586.9 Ų86.994%0.94452%0.515SS*.SBendtrans-69.171.8153.6-58.30000107.9N32S30-N32 PolarHBondContact O-N 3.47Å
31G48.5Very low56.5Low70 Ų7091.9 Ų91.972%0.72253%0.534SS*.SBendtrans86.6-21.5171.100000117.7S29S29-G31 PolarHBondContact O-N 3.32Å; S29-G31 PolarHBondContact OG-N 2.7Å
32N43.2Very low55.5Low135 Ų13590.9 Ų90.972%0.72254%0.538SS*.SBendtrans-116.4112.1174.8-992.9000111.4S29 S30 V34S29-N32 VanDerWaalsContact CB-O 3.22Å; S29-N32 WeakPolarHBondContact CB-O 3.42Å; S29-N32 WeakPolarHBondContact OG-CA 3.41Å; S29-N32 PolarHBondContact OG-N 2.86Å; S29-N32 PolarHBondContact OG-O 2.91Å; S30-N32 PolarHBondContact O-N 3.47Å; N32-V34 WeakPolarHBondContact O-CG2 3.22Å; N32-V34 PolarHBondContact O-N 3.43Å
33V50.5Low54.4Low135 Ų13586.9 Ų86.982%0.81853%0.528SS*.  trans-49.5102.4175.3179.80000108.4S29 S35S29-V33 PolarHBondContact OG-N 3.44Å; V33-S35 VanDerWaalsContact C-N 3.25Å; V33-S35 PolarHBondContact O-N 3.17Å
34V50.4Low53.6Low88 Ų8888.7 Ų88.753%0.53354%0.539SS..  trans-74.292.6176-173.60000105.7E28 N32 S36E28-V34 VanDerWaalsContact O-CG2 3.26Å; E28-V34 WeakPolarHBondContact O-CG2 3.41Å; N32-V34 WeakPolarHBondContact O-CG2 3.22Å; N32-V34 PolarHBondContact O-N 3.43Å; V34-S36 PolarHBondContact O-N 3.24Å; V34-S36 VanDerWaalsContact O-N 3.15Å
35S53.8Low52.7Low40 Ų4085.5 Ų85.528%0.2853%0.526SS..  trans-36.2120.8167.1178.70000108.8V33 T39V33-S35 VanDerWaalsContact C-N 3.25Å; V33-S35 PolarHBondContact O-N 3.17Å; S35-T39 WeakPolarHBondContact OG-CB 3.22Å; S35-T39 WeakPolarHBondContact OG-CG2 3.48Å
36S59.4Low52Low16 Ų1690.5 Ų90.511%0.11255%0.545CS..  trans-50.1147.4-177.374.70000109.3M23 L24 V34 V38 T39 Q40M23-S36 WeakPolarHBondContact O-CB 3.19Å; L24-S36 WeakPolarHBondContact O-CB 3.35Å; V34-S36 PolarHBondContact O-N 3.24Å; V34-S36 VanDerWaalsContact O-N 3.15Å; S36-V38 CarbonylContact O-C 3.55Å; S36-V38 PolarHBondContact O-N 3.41Å; S36-V38 WeakPolarHBondContact OG-CB 3.47Å; S36-T39 CarbonylContact O-C 3.38Å; S36-T39 VanDerWaalsContact O-CA 3.27Å; S36-T39 WeakPolarHBondContact O-CA 2.93Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 3.02Å; S36-T39 WeakPolarHBondContact OG-CB 3.32Å; S36-T39 PolarHBondContact OG-N 3.11Å; S36-T39 PolarHBondContact OG-OG1 3.43Å; S36-Q40 PolarHBondContact O-N 2.87Å
37K54.7Low51.3Low100 Ų10093 Ų9344%0.43555%0.55SS.*Hα-helixtrans-57-26.3174.6-78.1-173.8166.8-163.50111.5M23 Q40 L41M23-K37 HydrophobicContact CE-CB 3.85Å; M23-K37 PolarHBondContact O-N 3.36Å; M23-K37 VanDerWaalsContact O-N 3.09Å; M23-K37 HydrophobicContact SD-CB 3.58Å; M23-K37 VanDerWaalsContact SD-CB 3.58Å; M23-K37 HydrophobicContact SD-CD 3.36Å; M23-K37 WeakPolarHBondContact SD-CD 3.12Å; M23-K37 HydrophobicContact SD-CG 4.07Å; K37-Q40 PolarHBondContact O-N 3.4Å; K37-L41 WeakPolarHBondContact O-CA 3.32Å; K37-L41 WeakPolarHBondContact O-CB 3.36Å; K37-L41 PolarHBondContact O-N 2.97Å
38V54.5Low50.9Low63 Ų6394 Ų9438%0.38255%0.545SS..Hα-helixtrans-61.4-47.3167.6172.80000110.5M23 S36 Q40 L41 L42M23-V38 HydrophobicContact CE-CG2 4.41Å; M23-V38 PolarHBondContact O-N 2.98Å; S36-V38 CarbonylContact O-C 3.55Å; S36-V38 PolarHBondContact O-N 3.41Å; S36-V38 WeakPolarHBondContact OG-CB 3.47Å; V38-Q40 PolarHBondContact O-N 3.27Å; V38-L41 PolarHBondContact O-N 3.3Å; V38-L42 HydrophobicContact CB-CD1 4.32Å; V38-L42 HydrophobicContact CG1-CD1 3.36Å; V38-L42 WeakPolarHBondContact O-CA 3.39Å; V38-L42 WeakPolarHBondContact O-CB 3.41Å; V38-L42 WeakPolarHBondContact O-CD1 3.39Å; V38-L42 PolarHBondContact O-N 3.49Å
39T55.9Low50.2Low59 Ų5995.1 Ų95.136%0.36255%0.548SS..Hα-helixtrans-68.4-27.3172.1-480000113.4S35 S36 G43 D44S35-T39 WeakPolarHBondContact OG-CB 3.22Å; S35-T39 WeakPolarHBondContact OG-CG2 3.48Å; S36-T39 CarbonylContact O-C 3.38Å; S36-T39 VanDerWaalsContact O-CA 3.27Å; S36-T39 WeakPolarHBondContact O-CA 2.93Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 3.02Å; S36-T39 WeakPolarHBondContact OG-CB 3.32Å; S36-T39 PolarHBondContact OG-N 3.11Å; S36-T39 PolarHBondContact OG-OG1 3.43Å; T39-G43 CarbonylContact O-C 2.86Å; T39-G43 WeakPolarHBondContact O-CA 3.18Å; T39-G43 PolarHBondContact O-N 3.38Å; T39-D44 PolarHBondContact O-N 2.96Å
40Q54.7Low50.1Low125 Ų12596.9 Ų96.958%0.58455%0.552SS**Hα-helixtrans-76.2-31.8170.8-68.5-177.4-22.900112.6S36 K37 V38 G43S36-Q40 PolarHBondContact O-N 2.87Å; K37-Q40 PolarHBondContact O-N 3.4Å; V38-Q40 PolarHBondContact O-N 3.27Å; Q40-G43 VanDerWaalsContact C-N 3.31Å; Q40-G43 WeakPolarHBondContact O-CA 3.37Å; Q40-G43 PolarHBondContact O-N 3.02Å
41L52.4Low49.8Very low154 Ų15494.4 Ų94.481%0.80653%0.528SS*.Hα-helixtrans-92.7-37-175.1-164.2131.8000112.6K37 V38 G43K37-L41 WeakPolarHBondContact O-CA 3.32Å; K37-L41 WeakPolarHBondContact O-CB 3.36Å; K37-L41 PolarHBondContact O-N 2.97Å; V38-L41 PolarHBondContact O-N 3.3Å; L41-G43 PolarHBondContact O-N 3.4Å
42L51.8Low49.7Very low112 Ų11296.8 Ų96.859%0.58652%0.522SS*.SBendtrans-65.9-16153.8-78.789.8000110.3V38 S45V38-L42 HydrophobicContact CB-CD1 4.32Å; V38-L42 HydrophobicContact CG1-CD1 3.36Å; V38-L42 WeakPolarHBondContact O-CA 3.39Å; V38-L42 WeakPolarHBondContact O-CB 3.41Å; V38-L42 WeakPolarHBondContact O-CD1 3.39Å; V38-L42 PolarHBondContact O-N 3.49Å; L42-S45 WeakPolarHBondContact O-CB 3.41Å; L42-S45 PolarHBondContact O-OG 3.46Å
43G46.7Very low50.1Low27 Ų2797.8 Ų97.828%0.27852%0.523SS..THydrogen-bonded Turntrans62.9166-174.400000111.5T39 Q40 L41 S45T39-G43 CarbonylContact O-C 2.86Å; T39-G43 WeakPolarHBondContact O-CA 3.18Å; T39-G43 PolarHBondContact O-N 3.38Å; Q40-G43 VanDerWaalsContact C-N 3.31Å; Q40-G43 WeakPolarHBondContact O-CA 3.37Å; Q40-G43 PolarHBondContact O-N 3.02Å; L41-G43 PolarHBondContact O-N 3.4Å; G43-S45 PolarHBondContact O-N 3.4Å
44D48.4Very low50.4Low109 Ų10995.8 Ų95.858%0.58351%0.508SS*.THydrogen-bonded Turntrans-58.834.7152.4-110.9-26.2000112.1T39 N46 E47 V48T39-D44 PolarHBondContact O-N 2.96Å; D44-N46 PolarHBondContact O-N 3.07Å; D44-N46 VanDerWaalsContact O-N 3.12Å; D44-E47 PolarHBondContact O-N 3.44Å; D44-E47 VanDerWaalsContact O-N 3.16Å; D44-V48 PolarHBondContact O-N 3.41Å
45S47.2Very low51.3Low46 Ų4693.2 Ų93.232%0.32249%0.491SS..THydrogen-bonded Turntrans-66.3-17.5-167.355.40000113.4L42 G43L42-S45 WeakPolarHBondContact O-CB 3.41Å; L42-S45 PolarHBondContact O-OG 3.46Å; G43-S45 PolarHBondContact O-N 3.4Å
46N45.3Very low52.3Low137 Ų13795 Ų9573%0.73350%0.501SS*.THydrogen-bonded Turntrans-84.3-21.6178.3-71-10.1000113.3D44D44-N46 PolarHBondContact O-N 3.07Å; D44-N46 VanDerWaalsContact O-N 3.12Å
47E45.9Very low53.4Low148 Ų14898.8 Ų98.869%0.69253%0.526SS*.THydrogen-bonded Turntrans-111.7-41.1-173.8-58.8-164.6-168.400113.3D44D44-E47 PolarHBondContact O-N 3.44Å; D44-E47 VanDerWaalsContact O-N 3.16Å
48V44.7Very low54.6Low82 Ų8296.2 Ų96.250%0.49752%0.517SS..THydrogen-bonded Turntrans-99.6-30.7-170.1-178.60000113.6D44D44-V48 PolarHBondContact O-N 3.41Å
49K41.4Very low56Low154 Ų15495 Ų9567%0.6751%0.507SS*.Hα-helixtrans-83.3-32.1-172.2-157.4175.1-178.7-175.40113.7D51K49-D51 VanDerWaalsContact C-N 3.31Å
50L45.8Very low57.4Low100 Ų10096.1 Ų96.152%0.52452%0.517SS..Hα-helixtrans-65.7-36.7169.2-88.1156000111.3I52 D54L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.75Å; L50-D54 WeakPolarHBondContact O-CB 3.42Å; L50-D54 PolarHBondContact O-N 3.39Å
51D49.7Very low59Low83 Ų8396.2 Ų96.244%0.44451%0.512SS..Hα-helixtrans-58.9-42.7178-101-1.9000111.2K49 I55 K192K49-D51 VanDerWaalsContact C-N 3.31Å; D51-I55 WeakPolarHBondContact O-CD1 3.31Å; D51-I55 WeakPolarHBondContact O-CG1 3.41Å; D51-I55 PolarHBondContact O-N 3.05Å; D51-K192 IonicContact OD1-NZ 3.82Å
52I48Very low60.7Low119 Ų11989 Ų8961%0.6147%0.474SS*.Hα-helixtrans-72.7-39.9-173.5-57.8167.7000113.6L50 P56L50-I52 VanDerWaalsContact C-N 3.34Å; L50-I52 PolarHBondContact O-N 2.75Å; I52-P56 VanDerWaalsContact O-CD 3.3Å; I52-P56 WeakPolarHBondContact O-CD 3.28Å
53Q50.7Low62.5Low156 Ų15687.7 Ų87.773%0.72946%0.462SS*.Hα-helixtrans-81.5-26.3-174.2-171.8168.5-0.900113.2P56Q53-P56 VanDerWaalsContact O-CD 3.24Å; Q53-P56 WeakPolarHBondContact O-CD 3.01Å; Q53-P56 WeakPolarHBondContact O-CG 3.47Å
54D55.8Low64.7Low94 Ų9490.2 Ų90.250%0.50347%0.468SS..Hα-helixtrans-79.9-23.3177.8-68.6-21.6000112.3L50 C57 I58L50-D54 WeakPolarHBondContact O-CB 3.42Å; L50-D54 PolarHBondContact O-N 3.39Å; D54-C57 PolarHBondContact O-N 3.24Å; D54-I58 VanDerWaalsContact O-CG2 3.31Å; D54-I58 WeakPolarHBondContact O-CG2 3.44Å; D54-I58 PolarHBondContact O-N 3.43Å
55I69.3Low66.7Low34 Ų3487.3 Ų87.317%0.17445%0.452CS..Hα-helixtrans-54.7-50.2177.6-75.4159.2000114.3D51 C57 I58 H59 M142D51-I55 WeakPolarHBondContact O-CD1 3.31Å; D51-I55 WeakPolarHBondContact O-CG1 3.41Å; D51-I55 PolarHBondContact O-N 3.05Å; I55-C57 PolarHBondContact O-N 2.92Å; I55-I58 WeakPolarHBondContact O-CG2 3.2Å; I55-I58 PolarHBondContact O-N 3.34Å; I55-H59 WeakPolarHBondContact CG2-CE1 3.28Å; I55-H59 WeakPolarHBondContact CG2-ND1 3.32Å; I55-H59 WeakPolarHBondContact O-CB 3.37Å; I55-H59 PolarHBondContact O-N 3.02Å; I55-H59 PolarHBondContact O-ND1 2.94Å; I55-M142 HydrophobicContact CD1-CE 3.1Å; I55-M142 HydrophobicContact CD1-SD 3.79Å; I55-M142 HydrophobicContact CG1-CE 3.79Å; I55-M142 HydrophobicContact CG1-SD 4.41Å; I55-M142 HydrophobicContact CG2-SD 4.38Å
56P76.7Confident68.8Low78 Ų7885.1 Ų85.151%0.50644%0.436SS..Hα-helixtrans-66-39.5-177.323-34.7000112.7I52 Q53 H59 C60I52-P56 VanDerWaalsContact O-CD 3.3Å; I52-P56 WeakPolarHBondContact O-CD 3.28Å; Q53-P56 VanDerWaalsContact O-CD 3.24Å; Q53-P56 WeakPolarHBondContact O-CD 3.01Å; Q53-P56 WeakPolarHBondContact O-CG 3.47Å; P56-H59 PolarHBondContact O-N 3.43Å; P56-C60 WeakPolarHBondContact O-CB 3.17Å; P56-C60 PolarHBondContact O-N 2.85Å
57C80.6Confident71Confident94 Ų9481.5 Ų81.564%0.63542%0.422SS*.Hα-helixtrans-64.8-46.6178.3-173.30000110.8D54 I55 H59 C60 W61D54-C57 PolarHBondContact O-N 3.24Å; I55-C57 PolarHBondContact O-N 2.92Å; C57-H59 VanDerWaalsContact C-N 3.32Å; C57-H59 PolarHBondContact O-N 3.41Å; C57-C60 PolarHBondContact O-N 2.94Å; C57-W61 WeakPolarHBondContact O-CB 3.48Å; C57-W61 PolarHBondContact O-N 3.26Å
58I81Confident73.2Confident46 Ų4678.1 Ų78.124%0.23641%0.408CS..Hα-helixtrans-66.2-34.2177.2-167.657.6000111.9D54 I55 N62 I145D54-I58 VanDerWaalsContact O-CG2 3.31Å; D54-I58 WeakPolarHBondContact O-CG2 3.44Å; D54-I58 PolarHBondContact O-N 3.43Å; I55-I58 WeakPolarHBondContact O-CG2 3.2Å; I55-I58 PolarHBondContact O-N 3.34Å; I58-N62 WeakPolarHBondContact O-CB 3.36Å; I58-N62 PolarHBondContact O-N 2.92Å; I58-N62 PolarHBondContact O-ND2 3.3Å; I58-I145 HydrophobicContact CG1-CG2 4.02Å; I58-I145 HydrophobicContact CG2-CD1 3.89Å; I58-I145 HydrophobicContact CG2-CG2 4.46Å
59H83.6Confident75.4Confident38 Ų3874.6 Ų74.618%0.17639%0.386CS..Hα-helixtrans-62.8-51.6172-84.789.3000111.1I55 P56 C57 W61 N62 Y63 I145I55-H59 WeakPolarHBondContact CG2-CE1 3.28Å; I55-H59 WeakPolarHBondContact CG2-ND1 3.32Å; I55-H59 WeakPolarHBondContact O-CB 3.37Å; I55-H59 PolarHBondContact O-N 3.02Å; I55-H59 PolarHBondContact O-ND1 2.94Å; P56-H59 PolarHBondContact O-N 3.43Å; C57-H59 VanDerWaalsContact C-N 3.32Å; C57-H59 PolarHBondContact O-N 3.41Å; H59-W61 VanDerWaalsContact C-N 3.28Å; H59-W61 PolarHBondContact O-N 3.03Å; H59-N62 PolarHBondContact O-N 3.35Å; H59-N62 VanDerWaalsContact O-N 3.14Å; H59-Y63 VanDerWaalsContact O-CD2 3.22Å; H59-Y63 WeakPolarHBondContact O-CD2 3.42Å; H59-Y63 PolarHBondContact O-N 2.92Å; H59-I145 WeakPolarHBondContact CE1-CD1 3.33Å; H59-I145 VanDerWaalsContact CE1-CG1 3.45Å; H59-I145 WeakPolarHBondContact CE1-CG1 3.37Å; H59-I145 WeakPolarHBondContact ND1-CD1 3.34Å
60C85.8Confident77.8Confident83 Ų8369.9 Ų69.956%0.56137%0.368SS*.Hα-helixtrans-55.9-45.1178.2-174.40000111.2P56 C57 N62 Y63 L64P56-C60 WeakPolarHBondContact O-CB 3.17Å; P56-C60 PolarHBondContact O-N 2.85Å; C57-C60 PolarHBondContact O-N 2.94Å; C60-N62 PolarHBondContact O-N 2.98Å; C60-Y63 PolarHBondContact O-N 3.47Å; C60-L64 WeakPolarHBondContact O-CB 3Å; C60-L64 PolarHBondContact O-N 2.91Å
61W87.8Confident79.8Confident127 Ų12770.6 Ų70.648%0.48137%0.367SS..Hα-helixtrans-60.2-45.3175.9-179.8-106.3000113C57 H59 L64 M65C57-W61 WeakPolarHBondContact O-CB 3.48Å; C57-W61 PolarHBondContact O-N 3.26Å; H59-W61 VanDerWaalsContact C-N 3.28Å; H59-W61 PolarHBondContact O-N 3.03Å; W61-L64 PolarHBondContact O-N 3.12Å; W61-M65 HydrophobicContact CD2-CE 4.28Å; W61-M65 HydrophobicContact CD2-CG 4.39Å; W61-M65 HydrophobicContact CE3-CE 4.31Å; W61-M65 HydrophobicContact CH2-CE 3.19Å; W61-M65 HydrophobicContact CZ2-CE 3.11Å; W61-M65 HydrophobicContact CZ2-CG 4.4Å; W61-M65 HydrophobicContact CZ2-SD 4.48Å; W61-M65 HydrophobicContact CZ3-CE 3.8Å; W61-M65 WeakPolarHBondContact O-CB 3.31Å; W61-M65 WeakPolarHBondContact O-CG 3.37Å; W61-M65 PolarHBondContact O-N 3.27Å
62N88.1Confident81.5Confident1 Ų170.1 Ų70.11%0.00536%0.361CS..Hα-helixtrans-67.1-37.2177.8-77.3-61.6000112.4I58 H59 C60 M65 A66 L137 Q149I58-N62 WeakPolarHBondContact O-CB 3.36Å; I58-N62 PolarHBondContact O-N 2.92Å; I58-N62 PolarHBondContact O-ND2 3.3Å; H59-N62 PolarHBondContact O-N 3.35Å; H59-N62 VanDerWaalsContact O-N 3.14Å; C60-N62 PolarHBondContact O-N 2.98Å; N62-M65 PolarHBondContact O-N 3.47Å; N62-A66 VanDerWaalsContact O-CB 3.27Å; N62-A66 WeakPolarHBondContact O-CB 3.48Å; N62-A66 PolarHBondContact O-N 3.23Å; N62-L137 HydrophobicContact CB-CD1 3.73Å; N62-L137 HydrophobicContact CB-CD2 3.67Å; N62-L137 HydrophobicContact CB-CG 4.3Å; N62-Q149 PolarHBondContact ND2-NE2 3.49Å; N62-Q149 PolarHBondContact OD1-NE2 3.45Å
63Y90.3Very high83.4Confident86 Ų8664.4 Ų64.434%0.33733%0.332SS..Hα-helixtrans-64.2-43.4173.3-86-67000111.7H59 C60 A66 S67 L134 L137H59-Y63 VanDerWaalsContact O-CD2 3.22Å; H59-Y63 WeakPolarHBondContact O-CD2 3.42Å; H59-Y63 PolarHBondContact O-N 2.92Å; C60-Y63 PolarHBondContact O-N 3.47Å; Y63-A66 PolarHBondContact O-N 3.01Å; Y63-S67 VanDerWaalsContact O-CB 3.31Å; Y63-S67 WeakPolarHBondContact O-CB 3.37Å; Y63-S67 PolarHBondContact O-N 2.9Å; Y63-S67 PolarHBondContact O-OG 3.18Å; Y63-L134 HydrophobicContact CD1-CD2 3.95Å; Y63-L134 HydrophobicContact CE1-CD2 4.3Å; Y63-L137 HydrophobicContact CD1-CB 4.47Å; Y63-L137 HydrophobicContact CD1-CD1 3.96Å; Y63-L137 HydrophobicContact CD2-CD1 4.35Å; Y63-L137 HydrophobicContact CE1-CB 3.82Å; Y63-L137 HydrophobicContact CE1-CD1 4.15Å; Y63-L137 HydrophobicContact CE2-CB 4.05Å; Y63-L137 HydrophobicContact CG-CD1 4.06Å; Y63-L137 PolarHBondContact OH-O 3.39Å; Y63-L137 VanDerWaalsContact OH-O 3.09Å
64L92.1Very high85.2Confident80 Ų8061.4 Ų61.442%0.41932%0.321SS..Hα-helixtrans-61-47.9176-175.9153.7000110.4C60 W61 S67 L68C60-L64 WeakPolarHBondContact O-CB 3Å; C60-L64 PolarHBondContact O-N 2.91Å; W61-L64 PolarHBondContact O-N 3.12Å; L64-S67 PolarHBondContact O-N 2.86Å; L64-L68 HydrophobicContact CD2-CD1 3.52Å; L64-L68 HydrophobicContact CD2-CG 4.12Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.39Å
65M90.3Very high86.5Confident47 Ų4758.4 Ų58.423%0.23231%0.305CS..Hα-helixtrans-62.2-46.6177.8-75.5-61.1158.800112.4W61 N62 S67 L68 I69 M133W61-M65 HydrophobicContact CD2-CE 4.28Å; W61-M65 HydrophobicContact CD2-CG 4.39Å; W61-M65 HydrophobicContact CE3-CE 4.31Å; W61-M65 HydrophobicContact CH2-CE 3.19Å; W61-M65 HydrophobicContact CZ2-CE 3.11Å; W61-M65 HydrophobicContact CZ2-CG 4.4Å; W61-M65 HydrophobicContact CZ2-SD 4.48Å; W61-M65 HydrophobicContact CZ3-CE 3.8Å; W61-M65 WeakPolarHBondContact O-CB 3.31Å; W61-M65 WeakPolarHBondContact O-CG 3.37Å; W61-M65 PolarHBondContact O-N 3.27Å; N62-M65 PolarHBondContact O-N 3.47Å; M65-S67 VanDerWaalsContact C-N 3.27Å; M65-S67 PolarHBondContact O-N 2.67Å; M65-L68 PolarHBondContact O-N 3.25Å; M65-L68 HydrophobicContact SD-CD1 4.47Å; M65-I69 VanDerWaalsContact O-CG1 3.24Å; M65-I69 WeakPolarHBondContact O-CG1 3.1Å; M65-I69 PolarHBondContact O-N 2.97Å; M65-M133 HydrophobicContact CB-CE 4.4Å
66A92.2Very high87Confident0 Ų057.7 Ų57.70%030%0.301CS..Hα-helixtrans-60.5-39.2176.800000111.7N62 Y63 L70 M133 L134N62-A66 VanDerWaalsContact O-CB 3.27Å; N62-A66 WeakPolarHBondContact O-CB 3.48Å; N62-A66 PolarHBondContact O-N 3.23Å; Y63-A66 PolarHBondContact O-N 3.01Å; A66-L70 VanDerWaalsContact O-CB 3.27Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 PolarHBondContact O-N 3.43Å; A66-M133 HydrophobicContact CB-CB 3.74Å; A66-M133 HydrophobicContact CB-CE 4.26Å; A66-L134 HydrophobicContact CB-CD2 3.7Å; A66-L134 HydrophobicContact CB-CG 3.86Å
67S92Very high87.3Confident61 Ų6157.2 Ų57.243%0.42730%0.296SS..Hα-helixtrans-68-41.1177.7-57.60000112.4Y63 L64 M65 L70 F71Y63-S67 VanDerWaalsContact O-CB 3.31Å; Y63-S67 WeakPolarHBondContact O-CB 3.37Å; Y63-S67 PolarHBondContact O-N 2.9Å; Y63-S67 PolarHBondContact O-OG 3.18Å; L64-S67 PolarHBondContact O-N 2.86Å; M65-S67 VanDerWaalsContact C-N 3.27Å; M65-S67 PolarHBondContact O-N 2.67Å; S67-L70 PolarHBondContact O-N 3.21Å; S67-F71 WeakPolarHBondContact O-CB 3.31Å; S67-F71 PolarHBondContact O-N 3.2Å
68L91.3Very high87Confident78 Ų7855.2 Ų55.241%0.40829%0.292SS..Hα-helixtrans-63.4-47174.8-73178.8000111.3L64 M65 L70 F71 F72L64-L68 HydrophobicContact CD2-CD1 3.52Å; L64-L68 HydrophobicContact CD2-CG 4.12Å; L64-L68 WeakPolarHBondContact O-CG 3.39Å; L64-L68 PolarHBondContact O-N 3.39Å; M65-L68 PolarHBondContact O-N 3.25Å; M65-L68 HydrophobicContact SD-CD1 4.47Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 2.97Å; L68-F71 PolarHBondContact O-N 2.87Å; L68-F72 WeakPolarHBondContact O-CD2 3.48Å; L68-F72 PolarHBondContact O-N 3.35Å
69I90.7Very high86.5Confident7 Ų758.3 Ų58.34%0.03630%0.304CS..Hα-helixtrans-62.7-40.4178.2-62164.9000110.4M65 F72 G73 H126 A130 M133 Y155M65-I69 VanDerWaalsContact O-CG1 3.24Å; M65-I69 WeakPolarHBondContact O-CG1 3.1Å; M65-I69 PolarHBondContact O-N 2.97Å; I69-F72 PolarHBondContact O-N 3.48Å; I69-G73 PolarHBondContact O-N 3.36Å; I69-H126 HydrophobicContact CG2-CB 4.45Å; I69-A130 HydrophobicContact CB-CB 4.19Å; I69-A130 HydrophobicContact CG2-CB 3.95Å; I69-M133 HydrophobicContact CD1-CE 4.42Å; I69-M133 HydrophobicContact CD1-SD 3.82Å; I69-Y155 HydrophobicContact CD1-CD1 3.87Å; I69-Y155 HydrophobicContact CD1-CD2 4.39Å; I69-Y155 HydrophobicContact CD1-CE1 4.11Å; I69-Y155 HydrophobicContact CD1-CG 4.02Å; I69-Y155 HydrophobicContact CG1-CD1 4.23Å; I69-Y155 HydrophobicContact CG1-CE1 3.95Å; I69-Y155 HydrophobicContact CG1-CE2 4.29Å; I69-Y155 HydrophobicContact CG2-CD2 3.89Å; I69-Y155 HydrophobicContact CG2-CE2 3.6Å
70L91.4Very high85.4Confident56 Ų5661.1 Ų61.129%0.29333%0.325SS..Hα-helixtrans-61.2-46.9175.1-172.2126000111.4A66 S67 L68 F72 G73 L74 A130 L134A66-L70 VanDerWaalsContact O-CB 3.27Å; A66-L70 WeakPolarHBondContact O-CB 3.47Å; A66-L70 PolarHBondContact O-N 3.43Å; S67-L70 PolarHBondContact O-N 3.21Å; L68-L70 VanDerWaalsContact C-N 3.3Å; L68-L70 PolarHBondContact O-N 2.97Å; L70-F72 VanDerWaalsContact C-N 3.35Å; L70-F72 PolarHBondContact O-N 3.31Å; L70-G73 PolarHBondContact O-N 2.91Å; L70-L74 HydrophobicContact CD2-CD1 3.66Å; L70-L74 HydrophobicContact CD2-CG 4.38Å; L70-L74 HydrophobicContact CG-CD1 4.38Å; L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.25Å; L70-A130 HydrophobicContact CB-CB 3.77Å; L70-A130 HydrophobicContact CD1-CB 4.29Å; L70-A130 HydrophobicContact CG-CB 4.49Å; L70-L134 HydrophobicContact CD1-CD1 3.83Å
71F88.9Confident84.1Confident115 Ų11560.3 Ų60.350%0.50432%0.315SS..Hα-helixtrans-58.9-46.2177.1-179.6-106.1000111.3S67 L68 L74 L75S67-F71 WeakPolarHBondContact O-CB 3.31Å; S67-F71 PolarHBondContact O-N 3.2Å; L68-F71 PolarHBondContact O-N 2.87Å; F71-L74 PolarHBondContact O-N 2.82Å; F71-L75 HydrophobicContact CD1-CD1 4Å; F71-L75 HydrophobicContact CD1-CG 4.39Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CD2 4.48Å; F71-L75 HydrophobicContact CE1-CG 4.08Å; F71-L75 HydrophobicContact CE2-CD2 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.94Å; F71-L75 HydrophobicContact CZ-CD2 4.09Å; F71-L75 HydrophobicContact CZ-CG 4.16Å; F71-L75 WeakPolarHBondContact O-CG 3.11Å; F71-L75 PolarHBondContact O-N 3.03Å
72F85.7Confident82.9Confident72 Ų7258.4 Ų58.432%0.31632%0.318SS..Hα-helixtrans-62.1-44.4175.2-74.4-59.8000112.8L68 I69 L70 L74 L75 L76 F87L68-F72 WeakPolarHBondContact O-CD2 3.48Å; L68-F72 PolarHBondContact O-N 3.35Å; I69-F72 PolarHBondContact O-N 3.48Å; L70-F72 VanDerWaalsContact C-N 3.35Å; L70-F72 PolarHBondContact O-N 3.31Å; F72-L74 VanDerWaalsContact C-N 3.29Å; F72-L74 PolarHBondContact O-N 2.69Å; F72-L75 HydrophobicContact CD1-CD1 4.36Å; F72-L75 WeakPolarHBondContact O-CB 3.45Å; F72-L75 PolarHBondContact O-N 2.72Å; F72-L75 VanDerWaalsContact O-N 3.15Å; F72-L76 WeakPolarHBondContact O-CD1 3.5Å; F72-L76 PolarHBondContact O-N 3.34Å; F72-F87 AromaticContact CD1-CZ 3.81Å; F72-F87 HydrophobicContact CD1-CZ 3.81Å; F72-F87 AromaticContact CE1-CZ 3.98Å; F72-F87 HydrophobicContact CE1-CZ 3.98Å
73G86.5Confident81.8Confident0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-59.7-39.8175.300000112.7I69 L70 L76 V77I69-G73 PolarHBondContact O-N 3.36Å; L70-G73 PolarHBondContact O-N 2.91Å; G73-L76 PolarHBondContact O-N 2.99Å; G73-V77 WeakPolarHBondContact O-CG2 3.47Å; G73-V77 PolarHBondContact O-N 3.47Å; G73-V77 VanDerWaalsContact O-N 3.09Å
74L88.2Confident80.6Confident92 Ų9261 Ų6148%0.48233%0.334SS..Hα-helixtrans-66.9-37.4174.4-73.7176000112.2L70 F71 F72 L76 G78 L127L70-L74 HydrophobicContact CD2-CD1 3.66Å; L70-L74 HydrophobicContact CD2-CG 4.38Å; L70-L74 HydrophobicContact CG-CD1 4.38Å; L70-L74 WeakPolarHBondContact O-CB 3.35Å; L70-L74 WeakPolarHBondContact O-CG 3.43Å; L70-L74 PolarHBondContact O-N 3.25Å; F71-L74 PolarHBondContact O-N 2.82Å; F72-L74 VanDerWaalsContact C-N 3.29Å; F72-L74 PolarHBondContact O-N 2.69Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L74-G78 VanDerWaalsContact O-CA 3.24Å; L74-G78 WeakPolarHBondContact O-CA 3.44Å; L74-G78 PolarHBondContact O-N 3.11Å; L74-L127 HydrophobicContact CD2-CD2 3.99Å; L74-L127 HydrophobicContact CG-CD2 3.98Å
75L83.2Confident79.4Confident32 Ų3259.8 Ų59.817%0.16833%0.328CS..Hα-helixtrans-63.7-40.6173.7-69.2-178.5000111.6F71 F72 F79 F87F71-L75 HydrophobicContact CD1-CD1 4Å; F71-L75 HydrophobicContact CD1-CG 4.39Å; F71-L75 HydrophobicContact CE1-CD1 3.51Å; F71-L75 HydrophobicContact CE1-CD2 4.48Å; F71-L75 HydrophobicContact CE1-CG 4.08Å; F71-L75 HydrophobicContact CE2-CD2 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.94Å; F71-L75 HydrophobicContact CZ-CD2 4.09Å; F71-L75 HydrophobicContact CZ-CG 4.16Å; F71-L75 WeakPolarHBondContact O-CG 3.11Å; F71-L75 PolarHBondContact O-N 3.03Å; F72-L75 HydrophobicContact CD1-CD1 4.36Å; F72-L75 WeakPolarHBondContact O-CB 3.45Å; F72-L75 PolarHBondContact O-N 2.72Å; F72-L75 VanDerWaalsContact O-N 3.15Å; L75-F79 HydrophobicContact CD2-CD2 3.88Å; L75-F79 HydrophobicContact CD2-CE2 3.47Å; L75-F79 VanDerWaalsContact CD2-CE2 3.47Å; L75-F79 PolarHBondContact O-N 2.9Å; L75-F87 HydrophobicContact CB-CE1 4.09Å; L75-F87 HydrophobicContact CD1-CE1 4.21Å; L75-F87 HydrophobicContact CD1-CE2 4.22Å; L75-F87 HydrophobicContact CD1-CZ 3.81Å
76L80Confident78.3Confident18 Ų1865.9 Ų65.99%0.09435%0.349CS..Hα-helixtrans-67.1-38.4180-92.873.7000112.7F72 G73 L74 F87 L88 L122F72-L76 WeakPolarHBondContact O-CD1 3.5Å; F72-L76 PolarHBondContact O-N 3.34Å; G73-L76 PolarHBondContact O-N 2.99Å; L74-L76 VanDerWaalsContact C-N 3.34Å; L76-F87 HydrophobicContact CD1-CD1 4.46Å; L76-F87 HydrophobicContact CD1-CE1 3.79Å; L76-L88 HydrophobicContact CG-CD2 4.32Å; L76-L122 HydrophobicContact CD2-CB 4.45Å; L76-L122 HydrophobicContact CD2-CD2 4.23Å; L76-L122 HydrophobicContact CD2-CG 4.22Å
77V83Confident77.3Confident68 Ų6867.1 Ų67.141%0.41235%0.354SS..Hα-helixtrans-91.5-37.4-177.5177.30000112.3G73 L127G73-V77 WeakPolarHBondContact O-CG2 3.47Å; G73-V77 PolarHBondContact O-N 3.47Å; G73-V77 VanDerWaalsContact O-N 3.09Å; V77-L127 HydrophobicContact CB-CD1 4.36Å; V77-L127 HydrophobicContact CG2-CD1 3.91Å
78G75.4Confident76.1Confident52 Ų5264.8 Ų64.854%0.53634%0.337SS..Hα-helixtrans-80.3-23.2-169.600000114.7L74 P80L74-G78 VanDerWaalsContact O-CA 3.24Å; L74-G78 WeakPolarHBondContact O-CA 3.44Å; L74-G78 PolarHBondContact O-N 3.11Å; G78-P80 WeakPolarHBondContact O-CD 3.47Å
79F70.1Confident75Confident111 Ų11167.1 Ų67.149%0.48735%0.345SS..SBendtrans-99.296.9172.1-73.5-75.3000110.1L75 I81 S84L75-F79 HydrophobicContact CD2-CD2 3.88Å; L75-F79 HydrophobicContact CD2-CE2 3.47Å; L75-F79 VanDerWaalsContact CD2-CE2 3.47Å; L75-F79 PolarHBondContact O-N 2.9Å; F79-I81 PolarHBondContact O-N 3.47Å; F79-S84 VanDerWaalsContact O-CB 3.31Å; F79-S84 WeakPolarHBondContact O-CB 3.49Å; F79-S84 PolarHBondContact O-OG 3.27Å
80P61.1Low74.1Confident97 Ų9771 Ų7163%0.6337%0.373SS*.  trans-60.8134.9168.624.8-31.9000109.9G78 H83G78-P80 WeakPolarHBondContact O-CD 3.47Å; P80-H83 PolarHBondContact O-N 3.23Å
81I58.5Low73Confident67 Ų6770.8 Ų70.834%0.34437%0.372SS..THydrogen-bonded Turntrans-48.9137.1170.2-69.2176.4000108.9F79 S84 D85 L88 Q116F79-I81 PolarHBondContact O-N 3.47Å; I81-S84 WeakPolarHBondContact CG1-OG 3.27Å; I81-S84 PolarHBondContact N-OG 3.06Å; I81-D85 WeakPolarHBondContact CG1-OD1 3.32Å; I81-D85 WeakPolarHBondContact CG2-OD1 3.34Å; I81-L88 HydrophobicContact CD1-CD1 4.29Å; I81-L88 HydrophobicContact CG1-CD1 4.46Å; I81-Q116 HydrophobicContact CD1-CB 4.26Å; I81-Q116 HydrophobicContact CD1-CG 4Å
82P62.3Low72.1Confident86 Ų8665.4 Ų65.456%0.55835%0.349SS*.THydrogen-bonded Turncis-95.5-119.234.2-34.2000116.5S84 D85P82-S84 PolarHBondContact O-N 3.32Å; P82-D85 WeakPolarHBondContact CA-OD2 3.29Å; P82-D85 WeakPolarHBondContact CB-OD2 3.25Å; P82-D85 WeakPolarHBondContact O-CB 3.27Å; P82-D85 PolarHBondContact O-N 3.47Å
83H64.2Low71.1Confident136 Ų13664.7 Ų64.763%0.6335%0.351SS*.THydrogen-bonded Turntrans-69.3-21.8-175.1-60.890.4000113.6P80 W86P80-H83 PolarHBondContact O-N 3.23Å; H83-W86 PolarHBondContact O-NE1 3.24Å; H83-W86 VanDerWaalsContact O-NE1 3.12Å
84S66.3Low70Confident6 Ų667.7 Ų67.74%0.04237%0.366CS..THydrogen-bonded Turntrans-89-6173.546.70000113.6F79 I81 P82 W86 F87 L88F79-S84 VanDerWaalsContact O-CB 3.31Å; F79-S84 WeakPolarHBondContact O-CB 3.49Å; F79-S84 PolarHBondContact O-OG 3.27Å; I81-S84 WeakPolarHBondContact CG1-OG 3.27Å; I81-S84 PolarHBondContact N-OG 3.06Å; P82-S84 PolarHBondContact O-N 3.32Å; S84-W86 VanDerWaalsContact C-N 3.32Å; S84-W86 PolarHBondContact O-N 3.33Å; S84-F87 WeakPolarHBondContact O-CB 3.43Å; S84-F87 PolarHBondContact O-N 3.34Å; S84-L88 WeakPolarHBondContact O-CG 3.24Å; S84-L88 PolarHBondContact O-N 3.26Å
85D66.3Low68.5Low55 Ų5564.1 Ų64.129%0.29435%0.349SS..Hα-helixtrans-61-42.5-176.7-74.3-19.6000111.6I81 P82 F87 L88 Q89I81-D85 WeakPolarHBondContact CG1-OD1 3.32Å; I81-D85 WeakPolarHBondContact CG2-OD1 3.34Å; P82-D85 WeakPolarHBondContact CA-OD2 3.29Å; P82-D85 WeakPolarHBondContact CB-OD2 3.25Å; P82-D85 WeakPolarHBondContact O-CB 3.27Å; P82-D85 PolarHBondContact O-N 3.47Å; D85-F87 PolarHBondContact O-N 3.04Å; D85-L88 PolarHBondContact O-N 3.29Å; D85-Q89 VanDerWaalsContact O-CB 3.22Å; D85-Q89 WeakPolarHBondContact O-CB 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 3.17Å
86W68Low67.3Low174 Ų17469 Ų6966%0.65938%0.376SS*.Hα-helixtrans-60.2-38.9176.678.9-92.7000111.3H83 S84 S90H83-W86 PolarHBondContact O-NE1 3.24Å; H83-W86 VanDerWaalsContact O-NE1 3.12Å; S84-W86 VanDerWaalsContact C-N 3.32Å; S84-W86 PolarHBondContact O-N 3.33Å; W86-S90 WeakPolarHBondContact O-CB 3.44Å; W86-S90 PolarHBondContact O-N 2.9Å
87F69.6Low66Low27 Ų2773.3 Ų73.312%0.11840%0.399CS..Hα-helixtrans-73.1-44.4-177.3-177.1-109000110.9F72 L75 L76 S84 D85 S90 L91F72-F87 AromaticContact CD1-CZ 3.81Å; F72-F87 HydrophobicContact CD1-CZ 3.81Å; F72-F87 AromaticContact CE1-CZ 3.98Å; F72-F87 HydrophobicContact CE1-CZ 3.98Å; L75-F87 HydrophobicContact CB-CE1 4.09Å; L75-F87 HydrophobicContact CD1-CE1 4.21Å; L75-F87 HydrophobicContact CD1-CE2 4.22Å; L75-F87 HydrophobicContact CD1-CZ 3.81Å; L76-F87 HydrophobicContact CD1-CD1 4.46Å; L76-F87 HydrophobicContact CD1-CE1 3.79Å; S84-F87 WeakPolarHBondContact O-CB 3.43Å; S84-F87 PolarHBondContact O-N 3.34Å; D85-F87 PolarHBondContact O-N 3.04Å; F87-S90 PolarHBondContact O-N 3.09Å; F87-L91 HydrophobicContact CD1-CD1 3.87Å; F87-L91 HydrophobicContact CE1-CD1 3.24Å; F87-L91 HydrophobicContact CE1-CG 4.29Å; F87-L91 HydrophobicContact CE2-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CG 4.31Å; F87-L91 HydrophobicContact CG-CD1 4.48Å; F87-L91 HydrophobicContact CZ-CD1 3.32Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 PolarHBondContact O-N 2.87Å
88L68Low64.4Low12 Ų1274.8 Ų74.86%0.06340%0.398CS..Hα-helixtrans-64.3-44175.4-69.7172.4000111.4L76 I81 S84 D85 S90 L91 F92 Y119L76-L88 HydrophobicContact CG-CD2 4.32Å; I81-L88 HydrophobicContact CD1-CD1 4.29Å; I81-L88 HydrophobicContact CG1-CD1 4.46Å; S84-L88 WeakPolarHBondContact O-CG 3.24Å; S84-L88 PolarHBondContact O-N 3.26Å; D85-L88 PolarHBondContact O-N 3.29Å; L88-S90 VanDerWaalsContact C-N 3.29Å; L88-S90 PolarHBondContact O-N 2.98Å; L88-L91 PolarHBondContact O-N 3.39Å; L88-F92 CarbonylContact O-C 3.44Å; L88-F92 WeakPolarHBondContact O-CA 3.47Å; L88-F92 PolarHBondContact O-N 3.5Å; L88-Y119 HydrophobicContact CB-CE2 4.32Å; L88-Y119 HydrophobicContact CD1-CD2 3.72Å; L88-Y119 HydrophobicContact CD1-CE2 4.17Å; L88-Y119 HydrophobicContact CD1-CG 4.13Å; L88-Y119 HydrophobicContact CD2-CD1 3.84Å; L88-Y119 HydrophobicContact CD2-CD2 4.1Å; L88-Y119 HydrophobicContact CD2-CE1 4.21Å; L88-Y119 HydrophobicContact CD2-CE2 4.38Å; L88-Y119 HydrophobicContact CD2-CG 3.81Å; L88-Y119 HydrophobicContact CG-CD2 4.38Å
89Q67.7Low63.3Low126 Ų12677.4 Ų77.459%0.58940%0.399SS*.Hα-helixtrans-63.5-35174-73.8175.714.900112.1D85 F92 P93D85-Q89 VanDerWaalsContact O-CB 3.22Å; D85-Q89 WeakPolarHBondContact O-CB 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.46Å; D85-Q89 PolarHBondContact O-N 3.17Å; Q89-F92 CarbonylContact O-C 3.6Å; Q89-P93 WeakPolarHBondContact O-CA 3.24Å; Q89-P93 WeakPolarHBondContact O-CD 3.49Å; Q89-P93 VanDerWaalsContact O-N 3.13Å
90S71.6Confident62.3Low88 Ų8877 Ų7762%0.61540%0.402SS*.Hα-helixtrans-68.6-43.1176.4-171.30000112W86 F87 L88W86-S90 WeakPolarHBondContact O-CB 3.44Å; W86-S90 PolarHBondContact O-N 2.9Å; F87-S90 PolarHBondContact O-N 3.09Å; L88-S90 VanDerWaalsContact C-N 3.29Å; L88-S90 PolarHBondContact O-N 2.98Å
91L68.8Low61.6Low52 Ų5277.3 Ų77.327%0.27240%0.404SS..Hα-helixtrans-76.4-43.1179.9-75.3176.9000113F87 L88F87-L91 HydrophobicContact CD1-CD1 3.87Å; F87-L91 HydrophobicContact CE1-CD1 3.24Å; F87-L91 HydrophobicContact CE1-CG 4.29Å; F87-L91 HydrophobicContact CE2-CD1 4.01Å; F87-L91 HydrophobicContact CE2-CG 4.31Å; F87-L91 HydrophobicContact CG-CD1 4.48Å; F87-L91 HydrophobicContact CZ-CD1 3.32Å; F87-L91 HydrophobicContact CZ-CG 4.09Å; F87-L91 PolarHBondContact O-N 2.87Å; L88-L91 PolarHBondContact O-N 3.39Å
92F69.1Low61.1Low3 Ų380.8 Ų80.81%0.01342%0.422CS..SBendtrans-13176.4-176.6-56.8-74.6000109.5L88 Q89 I94 Y119 L122 F159 V162 T166L88-F92 CarbonylContact O-C 3.44Å; L88-F92 WeakPolarHBondContact O-CA 3.47Å; L88-F92 PolarHBondContact O-N 3.5Å; Q89-F92 CarbonylContact O-C 3.6Å; F92-I94 PolarHBondContact O-N 3.4Å; F92-Y119 HydrophobicContact CB-CE1 4.28Å; F92-Y119 AromaticContact CD2-CE1 3.76Å; F92-Y119 HydrophobicContact CD2-CE1 3.76Å; F92-Y119 HydrophobicContact CE2-CE1 4.43Å; F92-Y119 HydrophobicContact CG-CE1 4.22Å; F92-L122 HydrophobicContact CE2-CD2 3.95Å; F92-L122 HydrophobicContact CZ-CD2 4.03Å; F92-F159 HydrophobicContact CE1-CE2 4.23Å; F92-F159 HydrophobicContact CE1-CZ 4.38Å; F92-F159 HydrophobicContact CZ-CD2 4.29Å; F92-F159 AromaticContact CZ-CE2 3.85Å; F92-F159 HydrophobicContact CZ-CE2 3.85Å; F92-F159 HydrophobicContact CZ-CZ 4.4Å; F92-V162 HydrophobicContact CD1-CG1 3.73Å; F92-V162 HydrophobicContact CE1-CB 4.06Å; F92-V162 HydrophobicContact CE1-CG1 3.39Å; F92-V162 HydrophobicContact CE2-CG1 4.38Å; F92-V162 HydrophobicContact CG-CG1 4.37Å; F92-V162 HydrophobicContact CZ-CB 4.43Å; F92-V162 HydrophobicContact CZ-CG1 3.75Å; F92-T166 HydrophobicContact CB-CG2 3.88Å
93P64.8Low60.3Low56 Ų5682.2 Ų82.236%0.36443%0.434SS..  trans-59114.6168.625.4-34000107.6Q89 S95 K167Q89-P93 WeakPolarHBondContact O-CA 3.24Å; Q89-P93 WeakPolarHBondContact O-CD 3.49Å; Q89-P93 VanDerWaalsContact O-N 3.13Å; P93-S95 PolarHBondContact O-N 3.32Å; P93-K167 VanDerWaalsContact CD-CE 3.46Å; P93-K167 HydrophobicContact CG-CD 4.16Å; P93-K167 VanDerWaalsContact CG-CE 3.47Å; P93-K167 HydrophobicContact CG-CG 4.32Å
94I63.3Low59.5Low63 Ų6379.9 Ų79.932%0.32343%0.43SS..  trans-66.5129.1174.8-64.1152.1000106.3F92 I115 T166F92-I94 PolarHBondContact O-N 3.4Å; I94-I115 HydrophobicContact CD1-CD1 3.97Å; I94-I115 HydrophobicContact CD1-CG2 4.22Å; I94-T166 HydrophobicContact CB-CG2 4.41Å; I94-T166 HydrophobicContact CG1-CG2 3.82Å
95S58.2Low58.8Low18 Ų1889.5 Ų89.513%0.12647%0.474CS..  trans-62.7135.2173.3176.50000110.5P93 N97 Y98 T166P93-S95 PolarHBondContact O-N 3.32Å; S95-N97 PolarHBondContact O-N 3.09Å; S95-N97 WeakPolarHBondContact OG-CB 3.49Å; S95-N97 PolarHBondContact OG-N 3.45Å; S95-N97 VanDerWaalsContact OG-N 3.16Å; S95-Y98 VanDerWaalsContact O-CB 3.26Å; S95-Y98 WeakPolarHBondContact O-CB 3.48Å; S95-Y98 PolarHBondContact O-N 3.47Å; S95-T166 PolarHBondContact N-O 3.31Å
96D57.9Low58.1Low134 Ų13491.1 Ų91.172%0.71749%0.489SS*.G310 helixtrans-51.7-26.5169-54.4-22.2000112Y98 D99D96-Y98 PolarHBondContact O-N 3.37Å; D96-D99 VanDerWaalsContact O-CB 3.24Å; D96-D99 WeakPolarHBondContact O-CB 3.38Å; D96-D99 PolarHBondContact O-N 3.41Å
97N51.9Low57.2Low109 Ų10987.8 Ų87.858%0.58349%0.491SS*.G310 helixtrans-72.9-12.9-179.8-137.6-0.2000113.3S95 D99 N100S95-N97 PolarHBondContact O-N 3.09Å; S95-N97 WeakPolarHBondContact OG-CB 3.49Å; S95-N97 PolarHBondContact OG-N 3.45Å; S95-N97 VanDerWaalsContact OG-N 3.16Å; N97-D99 PolarHBondContact O-N 3.21Å; N97-N100 PolarHBondContact OD1-ND2 3.25Å
98Y50.5Low56Low99 Ų9994.3 Ų94.339%0.38853%0.528SS..G310 helixtrans-74.7-10170.6-147-96.1000111.9S95 D96 N100 R111S95-Y98 VanDerWaalsContact O-CB 3.26Å; S95-Y98 WeakPolarHBondContact O-CB 3.48Å; S95-Y98 PolarHBondContact O-N 3.47Å; D96-Y98 PolarHBondContact O-N 3.37Å; Y98-N100 VanDerWaalsContact C-N 3.31Å; Y98-N100 PolarHBondContact O-N 3.47Å; Y98-R111 PolarHBondContact O-NH1 2.74Å
99D51Low55.2Low107 Ų10797.5 Ų97.557%0.57254%0.544SS*.G310 helixtrans-74.4-17.3177.2-70.5-30.6000113.5D96 N97 P101 R111D96-D99 VanDerWaalsContact O-CB 3.24Å; D96-D99 WeakPolarHBondContact O-CB 3.38Å; D96-D99 PolarHBondContact O-N 3.41Å; N97-D99 PolarHBondContact O-N 3.21Å; D99-P101 WeakPolarHBondContact O-CD 3.45Å; D99-R111 VanDerWaalsContact CA-NH1 3.33Å; D99-R111 PolarHBondContact O-NH1 2.94Å
100N50.1Low54.5Low103 Ų10396 Ų9655%0.55155%0.545SS*.SBendtrans-61.5112.8175.1-74.1-38000109.8N97 Y98 I102 R111N97-N100 PolarHBondContact OD1-ND2 3.25Å; Y98-N100 VanDerWaalsContact C-N 3.31Å; Y98-N100 PolarHBondContact O-N 3.47Å; N100-I102 PolarHBondContact O-N 2.88Å; N100-R111 PolarHBondContact O-NH2 3.39Å
101P44.8Very low53.7Low102 Ų10295.9 Ų95.966%0.66253%0.531SS*.  trans-64.1108170.327.2-30000106.8D99 S103D99-P101 WeakPolarHBondContact O-CD 3.45Å; P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.43Å
102I49.5Very low53.1Low140 Ų14097 Ų9772%0.71855%0.548SS*.  trans-62.5107.8157.8-58.5176000103.8N100 T104N100-I102 PolarHBondContact O-N 2.88Å; I102-T104 HydrophobicContact CG2-CG2 3.98Å; I102-T104 PolarHBondContact O-N 3.21Å
103S44.7Very low52.5Low116 Ų116102.7 Ų102.781%0.81157%0.573SS**  trans-67.972.2176.656.70000109.2P101P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.43Å
104T47.7Very low52.6Low88 Ų88103.5 Ų103.554%0.5457%0.574SS.*  trans-94.5111160.549.60000106.7I102 S106I102-T104 HydrophobicContact CG2-CG2 3.98Å; I102-T104 PolarHBondContact O-N 3.21Å; T104-S106 PolarHBondContact O-N 2.93Å
105E51.7Low52.9Low208 Ų208102.3 Ų102.397%0.97257%0.568SS**  trans-57.911.4177.6-74.6-180141.400115.1
106S50.6Low53.3Low88 Ų88105.9 Ų105.962%0.61558%0.583SS**SBendtrans-106.6105.2179.759.30000111.1T104T104-S106 PolarHBondContact O-N 2.93Å
107C49.9Very low54Low104 Ų104105.4 Ų105.470%0.70357%0.572SS**  trans65.198.6167-1580000116.2I109C107-I109 PolarHBondContact O-N 3.35Å
108N45.5Very low55.1Low165 Ų165103.5 Ų103.588%0.88256%0.56SS**  trans-69.871.2168.2-72.3-21.1000111.1P110N108-P110 WeakPolarHBondContact O-CD 3.4Å
109I51.1Low56.4Low79 Ų7999.5 Ų99.541%0.40555%0.545SS..  trans-71.9124.9161.2-60.1166.4000106.1C107 R111 F113 N114C107-I109 PolarHBondContact O-N 3.35Å; I109-R111 PolarHBondContact O-N 3.46Å; I109-R111 VanDerWaalsContact O-N 3.07Å; I109-F113 HydrophobicContact CG2-CB 4.17Å; I109-F113 HydrophobicContact CG2-CD1 3.93Å; I109-F113 HydrophobicContact CG2-CG 4.45Å; I109-N114 WeakPolarHBondContact CG2-OD1 3.45Å
110P52Low57.7Low93 Ų9398.9 Ų98.960%0.60454%0.54SS*.  trans-53.7120176.5-23.432.5000109.7N108 A112 F113N108-P110 WeakPolarHBondContact O-CD 3.4Å; P110-A112 PolarHBondContact O-N 3.27Å; P110-F113 WeakPolarHBondContact O-CA 3.39Å; P110-F113 WeakPolarHBondContact O-CB 3.05Å; P110-F113 PolarHBondContact O-N 3.04Å
111R55.7Low59.3Low87 Ų8798.2 Ų98.233%0.32853%0.533SS..Hα-helixtrans-54.1-30.8-172.6-177.7-179.5-79171.7-14.4113.7Y98 D99 N100 I109 F113 N114 I115Y98-R111 PolarHBondContact O-NH1 2.74Å; D99-R111 VanDerWaalsContact CA-NH1 3.33Å; D99-R111 PolarHBondContact O-NH1 2.94Å; N100-R111 PolarHBondContact O-NH2 3.39Å; I109-R111 PolarHBondContact O-N 3.46Å; I109-R111 VanDerWaalsContact O-N 3.07Å; R111-F113 VanDerWaalsContact C-N 3.25Å; R111-F113 PolarHBondContact O-N 2.88Å; R111-N114 PolarHBondContact O-N 2.64Å; R111-I115 PolarHBondContact O-N 3.09Å
112A55.8Low61.2Low76 Ų7693.8 Ų93.863%0.62850%0.504SS*.Hα-helixtrans-57.4-36.9172.100000112.8P110 I115 Q116P110-A112 PolarHBondContact O-N 3.27Å; A112-I115 PolarHBondContact O-N 3.02Å; A112-Q116 PolarHBondContact O-N 3.44Å; A112-Q116 VanDerWaalsContact O-N 3.1Å
113F56.6Low62.9Low122 Ų12287.1 Ų87.154%0.53547%0.47SS..Hα-helixtrans-67.3-37.5177.4-167.2-98000112.1I109 P110 R111 Q116 Y117I109-F113 HydrophobicContact CG2-CB 4.17Å; I109-F113 HydrophobicContact CG2-CD1 3.93Å; I109-F113 HydrophobicContact CG2-CG 4.45Å; P110-F113 WeakPolarHBondContact O-CA 3.39Å; P110-F113 WeakPolarHBondContact O-CB 3.05Å; P110-F113 PolarHBondContact O-N 3.04Å; R111-F113 VanDerWaalsContact C-N 3.25Å; R111-F113 PolarHBondContact O-N 2.88Å; F113-Q116 PolarHBondContact O-N 2.99Å; F113-Y117 WeakPolarHBondContact O-CB 3.41Å; F113-Y117 PolarHBondContact O-N 3.25Å
114N66.6Low64.9Low72 Ų7284.4 Ų84.439%0.38545%0.45SS..Hα-helixtrans-65.3-43.5176.8-76.9-10.1000111.8I109 R111 Y117 I118I109-N114 WeakPolarHBondContact CG2-OD1 3.45Å; R111-N114 PolarHBondContact O-N 2.64Å; N114-Y117 PolarHBondContact O-N 3.4Å; N114-I118 VanDerWaalsContact O-CG1 3.26Å; N114-I118 WeakPolarHBondContact O-CG1 3.14Å; N114-I118 PolarHBondContact O-N 3.15Å
115I68.6Low66.9Low38 Ų3883.5 Ų83.520%0.19544%0.442CS..Hα-helixtrans-63.7-44.2178.9-66.4173.4000110.4I94 R111 A112 Y117 I118 Y119I94-I115 HydrophobicContact CD1-CD1 3.97Å; I94-I115 HydrophobicContact CD1-CG2 4.22Å; R111-I115 PolarHBondContact O-N 3.09Å; A112-I115 PolarHBondContact O-N 3.02Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 2.86Å; I115-I118 PolarHBondContact O-N 3.26Å; I115-Y119 HydrophobicContact CG2-CD2 3.6Å; I115-Y119 HydrophobicContact CG2-CE2 3.12Å; I115-Y119 WeakPolarHBondContact O-CD2 3.46Å; I115-Y119 PolarHBondContact O-N 2.94Å
116Q68Low68.7Low94 Ų9473.9 Ų73.944%0.43940%0.396SS..Hα-helixtrans-58-44.1175.2179.4177.38.500112.1I81 A112 F113 Y119 M120I81-Q116 HydrophobicContact CD1-CB 4.26Å; I81-Q116 HydrophobicContact CD1-CG 4Å; A112-Q116 PolarHBondContact O-N 3.44Å; A112-Q116 VanDerWaalsContact O-N 3.1Å; F113-Q116 PolarHBondContact O-N 2.99Å; Q116-Y119 PolarHBondContact O-N 3.15Å; Q116-M120 WeakPolarHBondContact O-CB 3.47Å; Q116-M120 PolarHBondContact O-N 3.46Å
117Y72.5Confident70.6Confident124 Ų12471.8 Ų71.849%0.48638%0.378SS..Hα-helixtrans-65.4-41.2178.9-165.9-106.2000112.1F113 N114 I115 Y119 M120 H121F113-Y117 WeakPolarHBondContact O-CB 3.41Å; F113-Y117 PolarHBondContact O-N 3.25Å; N114-Y117 PolarHBondContact O-N 3.4Å; I115-Y117 VanDerWaalsContact C-N 3.33Å; I115-Y117 PolarHBondContact O-N 2.86Å; Y117-Y119 PolarHBondContact O-N 2.91Å; Y117-M120 HydrophobicContact CD2-CE 3.74Å; Y117-M120 HydrophobicContact CE2-CE 3.85Å; Y117-M120 PolarHBondContact O-N 2.94Å; Y117-H121 AromaticContact CD1-CD2 3.42Å; Y117-H121 VanDerWaalsContact CD1-CD2 3.42Å; Y117-H121 WeakPolarHBondContact CD1-CD2 3.46Å; Y117-H121 AromaticContact CD1-NE2 3.64Å; Y117-H121 AromaticContact CE1-CD2 3.22Å; Y117-H121 WeakPolarHBondContact CE1-CD2 3.12Å; Y117-H121 AromaticContact CE1-NE2 2.93Å; Y117-H121 WeakPolarHBondContact CE1-NE2 3.47Å; Y117-H121 AromaticContact CE2-NE2 3.58Å; Y117-H121 AromaticContact CG-CD2 3.97Å; Y117-H121 AromaticContact CZ-CD2 3.62Å; Y117-H121 AromaticContact CZ-CE1 3.99Å; Y117-H121 AromaticContact CZ-NE2 2.89Å; Y117-H121 PolarHBondContact O-CD2 3.29Å; Y117-H121 PolarHBondContact O-N 2.87Å; Y117-H121 PolarHBondContact OH-NE2 2.87Å
118I75.2Confident72.7Confident68 Ų6871.4 Ų71.435%0.34937%0.373SS..Hα-helixtrans-60.1-45.9175.4-68.1163.8000110.6N114 I115 H121 L122N114-I118 VanDerWaalsContact O-CG1 3.26Å; N114-I118 WeakPolarHBondContact O-CG1 3.14Å; N114-I118 PolarHBondContact O-N 3.15Å; I115-I118 PolarHBondContact O-N 3.26Å; I118-H121 PolarHBondContact O-N 3.38Å; I118-L122 VanDerWaalsContact O-CB 3.32Å; I118-L122 WeakPolarHBondContact O-CB 3.2Å; I118-L122 PolarHBondContact O-N 3.46Å
119Y76.1Confident74.9Confident15 Ų1564.3 Ų64.36%0.05933%0.334CS..Hα-helixtrans-69-36.8179.7-68.8-48.8000113.3L88 F92 I115 Q116 Y117 L122 G123L88-Y119 HydrophobicContact CB-CE2 4.32Å; L88-Y119 HydrophobicContact CD1-CD2 3.72Å; L88-Y119 HydrophobicContact CD1-CE2 4.17Å; L88-Y119 HydrophobicContact CD1-CG 4.13Å; L88-Y119 HydrophobicContact CD2-CD1 3.84Å; L88-Y119 HydrophobicContact CD2-CD2 4.1Å; L88-Y119 HydrophobicContact CD2-CE1 4.21Å; L88-Y119 HydrophobicContact CD2-CE2 4.38Å; L88-Y119 HydrophobicContact CD2-CG 3.81Å; L88-Y119 HydrophobicContact CG-CD2 4.38Å; F92-Y119 HydrophobicContact CB-CE1 4.28Å; F92-Y119 AromaticContact CD2-CE1 3.76Å; F92-Y119 HydrophobicContact CD2-CE1 3.76Å; F92-Y119 HydrophobicContact CE2-CE1 4.43Å; F92-Y119 HydrophobicContact CG-CE1 4.22Å; I115-Y119 HydrophobicContact CG2-CD2 3.6Å; I115-Y119 HydrophobicContact CG2-CE2 3.12Å; I115-Y119 WeakPolarHBondContact O-CD2 3.46Å; I115-Y119 PolarHBondContact O-N 2.94Å; Q116-Y119 PolarHBondContact O-N 3.15Å; Y117-Y119 PolarHBondContact O-N 2.91Å; Y119-L122 HydrophobicContact CD1-CD2 4.37Å; Y119-L122 PolarHBondContact O-N 2.73Å; Y119-G123 PolarHBondContact O-N 3.44Å
120M79.5Confident76.9Confident94 Ų9460.5 Ų60.546%0.46332%0.315SS..Hα-helixtrans-61.6-46.4173.9-175.8178.766.500110.9Q116 Y117 L122 G123 C124Q116-M120 WeakPolarHBondContact O-CB 3.47Å; Q116-M120 PolarHBondContact O-N 3.46Å; Y117-M120 HydrophobicContact CD2-CE 3.74Å; Y117-M120 HydrophobicContact CE2-CE 3.85Å; Y117-M120 PolarHBondContact O-N 2.94Å; M120-L122 VanDerWaalsContact C-N 3.33Å; M120-L122 PolarHBondContact O-N 2.94Å; M120-G123 PolarHBondContact O-N 3.01Å; M120-C124 PolarHBondContact O-N 3.24Å; M120-C124 PolarHBondContact O-SG 3.4Å; M120-C124 VanDerWaalsContact O-SG 3.36Å
121H83.4Confident78.8Confident89 Ų8959 Ų5941%0.41231%0.306SS..Hα-helixtrans-62.7-40.6174.9-83.9-61000112.8Y117 I118 G123 C124 L125Y117-H121 AromaticContact CD1-CD2 3.42Å; Y117-H121 VanDerWaalsContact CD1-CD2 3.42Å; Y117-H121 WeakPolarHBondContact CD1-CD2 3.46Å; Y117-H121 AromaticContact CD1-NE2 3.64Å; Y117-H121 AromaticContact CE1-CD2 3.22Å; Y117-H121 WeakPolarHBondContact CE1-CD2 3.12Å; Y117-H121 AromaticContact CE1-NE2 2.93Å; Y117-H121 WeakPolarHBondContact CE1-NE2 3.47Å; Y117-H121 AromaticContact CE2-NE2 3.58Å; Y117-H121 AromaticContact CG-CD2 3.97Å; Y117-H121 AromaticContact CZ-CD2 3.62Å; Y117-H121 AromaticContact CZ-CE1 3.99Å; Y117-H121 AromaticContact CZ-NE2 2.89Å; Y117-H121 PolarHBondContact O-CD2 3.29Å; Y117-H121 PolarHBondContact O-N 2.87Å; Y117-H121 PolarHBondContact OH-NE2 2.87Å; I118-H121 PolarHBondContact O-N 3.38Å; H121-G123 VanDerWaalsContact C-N 3.34Å; H121-C124 PolarHBondContact O-N 3.49Å; H121-L125 WeakPolarHBondContact O-CB 3.02Å; H121-L125 PolarHBondContact O-N 2.86Å
122L84.1Confident80.5Confident10 Ų1056 Ų565%0.05230%0.302CS..Hα-helixtrans-61.1-44.9175-173.962.3000110.8L76 F92 I118 Y119 M120 L125 H126 V162L76-L122 HydrophobicContact CD2-CB 4.45Å; L76-L122 HydrophobicContact CD2-CD2 4.23Å; L76-L122 HydrophobicContact CD2-CG 4.22Å; F92-L122 HydrophobicContact CE2-CD2 3.95Å; F92-L122 HydrophobicContact CZ-CD2 4.03Å; I118-L122 VanDerWaalsContact O-CB 3.32Å; I118-L122 WeakPolarHBondContact O-CB 3.2Å; I118-L122 PolarHBondContact O-N 3.46Å; Y119-L122 HydrophobicContact CD1-CD2 4.37Å; Y119-L122 PolarHBondContact O-N 2.73Å; M120-L122 VanDerWaalsContact C-N 3.33Å; M120-L122 PolarHBondContact O-N 2.94Å; L122-L125 WeakPolarHBondContact O-CB 3.24Å; L122-L125 PolarHBondContact O-N 3.42Å; L122-H126 VanDerWaalsContact CG-CE1 3.48Å; L122-H126 WeakPolarHBondContact CG-CE1 3.39Å; L122-H126 PolarHBondContact O-N 3.39Å; L122-H126 PolarHBondContact O-ND1 2.98Å; L122-V162 HydrophobicContact CD1-CG2 3.71Å; L122-V162 HydrophobicContact CD2-CB 4.49Å; L122-V162 HydrophobicContact CD2-CG1 4.02Å; L122-V162 HydrophobicContact CD2-CG2 3.99Å; L122-V162 HydrophobicContact CG-CG2 4.46Å
123G85.1Confident82.2Confident0 Ų052.3 Ų52.30%027%0.272CS..Hα-helixtrans-60.5-45.5175.200000112.5Y119 M120 H121 L125 H126 L127Y119-G123 PolarHBondContact O-N 3.44Å; M120-G123 PolarHBondContact O-N 3.01Å; H121-G123 VanDerWaalsContact C-N 3.34Å; G123-L125 VanDerWaalsContact C-N 3.31Å; G123-L125 PolarHBondContact O-N 3.14Å; G123-H126 WeakPolarHBondContact O-CB 3.36Å; G123-H126 PolarHBondContact O-N 2.85Å; G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 3.14Å
124C88Confident83.8Confident59 Ų5948.7 Ų48.740%0.39926%0.258SS..Hα-helixtrans-59-43.1173.3-69.40000111.8M120 H121 H126 L127 V128M120-C124 PolarHBondContact O-N 3.24Å; M120-C124 PolarHBondContact O-SG 3.4Å; M120-C124 VanDerWaalsContact O-SG 3.36Å; H121-C124 PolarHBondContact O-N 3.49Å; C124-H126 VanDerWaalsContact C-N 3.35Å; C124-H126 PolarHBondContact O-N 3.07Å; C124-L127 PolarHBondContact O-N 3.3Å; C124-V128 WeakPolarHBondContact O-CG2 3.33Å; C124-V128 PolarHBondContact O-N 2.76Å
125L89.2Confident84.9Confident69 Ų6952.3 Ų52.336%0.36127%0.267SS..Hα-helixtrans-62.2-41.3176.8-170.272.5000111.7H121 L122 G123 L127 V128 I129 T158H121-L125 WeakPolarHBondContact O-CB 3.02Å; H121-L125 PolarHBondContact O-N 2.86Å; L122-L125 WeakPolarHBondContact O-CB 3.24Å; L122-L125 PolarHBondContact O-N 3.42Å; G123-L125 VanDerWaalsContact C-N 3.31Å; G123-L125 PolarHBondContact O-N 3.14Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.29Å; L125-V128 PolarHBondContact O-N 3.06Å; L125-I129 HydrophobicContact CD1-CD1 4.43Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.25Å; L125-I129 PolarHBondContact O-N 3.46Å; L125-T158 HydrophobicContact CD2-CG2 3.54Å
126H88.9Confident85.8Confident5 Ų550.6 Ų50.62%0.02326%0.259CS..Hα-helixtrans-59.1-45.6174.8-76.453.7000111I69 L122 G123 C124 I129 A130 Y155I69-H126 HydrophobicContact CG2-CB 4.45Å; L122-H126 VanDerWaalsContact CG-CE1 3.48Å; L122-H126 WeakPolarHBondContact CG-CE1 3.39Å; L122-H126 PolarHBondContact O-N 3.39Å; L122-H126 PolarHBondContact O-ND1 2.98Å; G123-H126 WeakPolarHBondContact O-CB 3.36Å; G123-H126 PolarHBondContact O-N 2.85Å; C124-H126 VanDerWaalsContact C-N 3.35Å; C124-H126 PolarHBondContact O-N 3.07Å; H126-I129 PolarHBondContact O-N 3.49Å; H126-A130 VanDerWaalsContact O-CB 3.25Å; H126-A130 WeakPolarHBondContact O-CB 3.26Å; H126-A130 PolarHBondContact O-N 3.15Å; H126-Y155 AromaticContact CD2-CE2 3.45Å; H126-Y155 VanDerWaalsContact CD2-CE2 3.45Å; H126-Y155 WeakPolarHBondContact CD2-CE2 3.23Å; H126-Y155 AromaticContact CD2-CZ 3.96Å; H126-Y155 AromaticContact CE1-CE2 3.9Å; H126-Y155 AromaticContact CG-CE2 3.94Å; H126-Y155 AromaticContact NE2-CE2 3.43Å; H126-Y155 WeakPolarHBondContact NE2-CE2 3.09Å; H126-Y155 AromaticContact NE2-CZ 3.78Å; H126-Y155 PolarHBondContact NE2-OH 3.46Å
127L91Very high86.7Confident45 Ų4546.5 Ų46.524%0.23624%0.24CC..Hα-helixtrans-65.6-41.1178.8-67.7176000112.3L74 V77 G123 C124 L125 S131L74-L127 HydrophobicContact CD2-CD2 3.99Å; L74-L127 HydrophobicContact CG-CD2 3.98Å; V77-L127 HydrophobicContact CB-CD1 4.36Å; V77-L127 HydrophobicContact CG2-CD1 3.91Å; G123-L127 WeakPolarHBondContact O-CG 3.47Å; G123-L127 PolarHBondContact O-N 3.14Å; C124-L127 PolarHBondContact O-N 3.3Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.29Å; L127-S131 VanDerWaalsContact O-CB 3.25Å; L127-S131 WeakPolarHBondContact O-CB 3.45Å; L127-S131 PolarHBondContact O-N 2.86Å; L127-S131 PolarHBondContact O-OG 3.42Å
128V92.9Very high87.2Confident96 Ų9644.4 Ų44.458%0.58224%0.244SC*.Hα-helixtrans-64.1-44.8176.7171.20000110.9C124 L125 S131 G132C124-V128 WeakPolarHBondContact O-CG2 3.33Å; C124-V128 PolarHBondContact O-N 2.76Å; L125-V128 PolarHBondContact O-N 3.06Å; V128-S131 WeakPolarHBondContact CA-OG 3.11Å; V128-S131 PolarHBondContact O-OG 2.82Å; V128-G132 PolarHBondContact O-N 2.92Å
129I92.6Very high87.3Confident15 Ų1547.4 Ų47.48%0.07726%0.257CS..Hα-helixtrans-67-46.1178.8-64.7167.4000110.5L125 H126 S131 G132 M133 L151 Y155L125-I129 HydrophobicContact CD1-CD1 4.43Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CG1 3.29Å; L125-I129 WeakPolarHBondContact O-CG1 3.25Å; L125-I129 PolarHBondContact O-N 3.46Å; H126-I129 PolarHBondContact O-N 3.49Å; I129-S131 PolarHBondContact O-N 3.41Å; I129-G132 PolarHBondContact O-N 3.27Å; I129-M133 HydrophobicContact CG2-CG 4.41Å; I129-M133 HydrophobicContact CG2-SD 4.17Å; I129-M133 WeakPolarHBondContact O-CG 3.36Å; I129-M133 PolarHBondContact O-N 2.83Å; I129-L151 HydrophobicContact CG2-CB 4.1Å; I129-L151 HydrophobicContact CG2-CG 4.39Å; I129-Y155 HydrophobicContact CD1-CD2 4.27Å
130A93.4Very high86.8Confident0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-63.3-44-179.900000112.5I69 L70 H126 G132 M133 L134I69-A130 HydrophobicContact CB-CB 4.19Å; I69-A130 HydrophobicContact CG2-CB 3.95Å; L70-A130 HydrophobicContact CB-CB 3.77Å; L70-A130 HydrophobicContact CD1-CB 4.29Å; L70-A130 HydrophobicContact CG-CB 4.49Å; H126-A130 VanDerWaalsContact O-CB 3.25Å; H126-A130 WeakPolarHBondContact O-CB 3.26Å; H126-A130 PolarHBondContact O-N 3.15Å; A130-G132 VanDerWaalsContact C-N 3.34Å; A130-G132 PolarHBondContact O-N 2.81Å; A130-M133 PolarHBondContact O-N 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.36Å; A130-L134 PolarHBondContact O-N 3.49Å
131S92.1Very high86.3Confident61 Ų6154.2 Ų54.243%0.42729%0.287SS..Hα-helixtrans-63.4-40175.158.20000111.7L127 V128 I129 M133 L134 Y135L127-S131 VanDerWaalsContact O-CB 3.25Å; L127-S131 WeakPolarHBondContact O-CB 3.45Å; L127-S131 PolarHBondContact O-N 2.86Å; L127-S131 PolarHBondContact O-OG 3.42Å; V128-S131 WeakPolarHBondContact CA-OG 3.11Å; V128-S131 PolarHBondContact O-OG 2.82Å; I129-S131 PolarHBondContact O-N 3.41Å; S131-M133 PolarHBondContact O-N 3.39Å; S131-L134 PolarHBondContact O-N 3.35Å; S131-Y135 WeakPolarHBondContact O-CB 3.45Å; S131-Y135 PolarHBondContact O-N 3.03Å
132G90.9Very high85.4Confident23 Ų2354.8 Ų54.824%0.23729%0.291CS..Hα-helixtrans-61.4-40.6172.800000113V128 I129 A130 S136V128-G132 PolarHBondContact O-N 2.92Å; I129-G132 PolarHBondContact O-N 3.27Å; A130-G132 VanDerWaalsContact C-N 3.34Å; A130-G132 PolarHBondContact O-N 2.81Å; G132-S136 WeakPolarHBondContact O-CB 3.29Å; G132-S136 PolarHBondContact O-N 3.46Å
133M91.4Very high84.9Confident0 Ų059.4 Ų59.40%032%0.316CS..Hα-helixtrans-65.1-48.4175.6-71.6177.97200111.4M65 A66 I69 I129 A130 S131 S136 L137 S148 L151M65-M133 HydrophobicContact CB-CE 4.4Å; A66-M133 HydrophobicContact CB-CB 3.74Å; A66-M133 HydrophobicContact CB-CE 4.26Å; I69-M133 HydrophobicContact CD1-CE 4.42Å; I69-M133 HydrophobicContact CD1-SD 3.82Å; I129-M133 HydrophobicContact CG2-CG 4.41Å; I129-M133 HydrophobicContact CG2-SD 4.17Å; I129-M133 WeakPolarHBondContact O-CG 3.36Å; I129-M133 PolarHBondContact O-N 2.83Å; A130-M133 PolarHBondContact O-N 3.36Å; S131-M133 PolarHBondContact O-N 3.39Å; M133-S136 WeakPolarHBondContact O-CB 3.27Å; M133-S136 PolarHBondContact O-N 3.15Å; M133-L137 VanDerWaalsContact O-CG 3.23Å; M133-L137 WeakPolarHBondContact O-CG 3.46Å; M133-L137 PolarHBondContact O-N 3.06Å; M133-S148 WeakPolarHBondContact CE-OG 3.2Å; M133-L151 HydrophobicContact CG-CB 3.55Å; M133-L151 HydrophobicContact CG-CD2 3.96Å; M133-L151 HydrophobicContact CG-CG 4.41Å; M133-L151 HydrophobicContact SD-CB 4.35Å
134L91Very high84.5Confident46 Ų4659.4 Ų59.424%0.24132%0.316CS..Hα-helixtrans-62.6-44.4178-71.8174.8000111.8Y63 A66 L70 A130 S131 S136 L137 S138Y63-L134 HydrophobicContact CD1-CD2 3.95Å; Y63-L134 HydrophobicContact CE1-CD2 4.3Å; A66-L134 HydrophobicContact CB-CD2 3.7Å; A66-L134 HydrophobicContact CB-CG 3.86Å; L70-L134 HydrophobicContact CD1-CD1 3.83Å; A130-L134 WeakPolarHBondContact O-CG 3.36Å; A130-L134 PolarHBondContact O-N 3.49Å; S131-L134 PolarHBondContact O-N 3.35Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.3Å; L134-L137 PolarHBondContact O-N 3.39Å; L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.18Å; L134-S138 PolarHBondContact O-N 2.79Å; L134-S138 PolarHBondContact O-OG 2.96Å
135Y88.6Confident84.3Confident147 Ų14757.3 Ų57.358%0.57630%0.301SS*.Hα-helixtrans-60.5-45.9176.5179.4-95.7000111S131 L137 S138 M139S131-Y135 WeakPolarHBondContact O-CB 3.45Å; S131-Y135 PolarHBondContact O-N 3.03Å; Y135-L137 PolarHBondContact O-N 2.87Å; Y135-S138 PolarHBondContact O-N 3.43Å; Y135-M139 HydrophobicContact CD2-CG 3.88Å; Y135-M139 HydrophobicContact CE1-CB 4.29Å; Y135-M139 HydrophobicContact CE1-CG 4.48Å; Y135-M139 HydrophobicContact CE2-CB 4.21Å; Y135-M139 HydrophobicContact CE2-CE 4.22Å; Y135-M139 HydrophobicContact CE2-CG 3.53Å; Y135-M139 WeakPolarHBondContact O-CB 3.49Å; Y135-M139 PolarHBondContact O-N 2.84Å
136S88Confident83.9Confident2 Ų256.3 Ų56.31%0.01429%0.294CS..Hα-helixtrans-58.7-46.3177.1-179.10000112.1G132 M133 L134 S138 I140 G144 V147G132-S136 WeakPolarHBondContact O-CB 3.29Å; G132-S136 PolarHBondContact O-N 3.46Å; M133-S136 WeakPolarHBondContact O-CB 3.27Å; M133-S136 PolarHBondContact O-N 3.15Å; L134-S136 VanDerWaalsContact C-N 3.34Å; L134-S136 PolarHBondContact O-N 3.3Å; S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 3.25Å; S136-I140 WeakPolarHBondContact O-CB 3.37Å; S136-I140 PolarHBondContact O-N 3.49Å; S136-G144 VanDerWaalsContact O-CA 3.27Å; S136-G144 WeakPolarHBondContact O-CA 3.46Å; S136-G144 WeakPolarHBondContact OG-CA 3.27Å; S136-G144 PolarHBondContact OG-O 2.95Å; S136-V147 WeakPolarHBondContact OG-CB 2.99Å; S136-V147 WeakPolarHBondContact OG-CG1 3.47Å
137L86.7Confident83.7Confident9 Ų958.7 Ų58.75%0.04731%0.309CS..Hα-helixtrans-68.8-28.2179-66.7165.5000113.2N62 Y63 M133 L134 Y135N62-L137 HydrophobicContact CB-CD1 3.73Å; N62-L137 HydrophobicContact CB-CD2 3.67Å; N62-L137 HydrophobicContact CB-CG 4.3Å; Y63-L137 HydrophobicContact CD1-CB 4.47Å; Y63-L137 HydrophobicContact CD1-CD1 3.96Å; Y63-L137 HydrophobicContact CD2-CD1 4.35Å; Y63-L137 HydrophobicContact CE1-CB 3.82Å; Y63-L137 HydrophobicContact CE1-CD1 4.15Å; Y63-L137 HydrophobicContact CE2-CB 4.05Å; Y63-L137 HydrophobicContact CG-CD1 4.06Å; Y63-L137 PolarHBondContact OH-O 3.39Å; Y63-L137 VanDerWaalsContact OH-O 3.09Å; M133-L137 VanDerWaalsContact O-CG 3.23Å; M133-L137 WeakPolarHBondContact O-CG 3.46Å; M133-L137 PolarHBondContact O-N 3.06Å; L134-L137 PolarHBondContact O-N 3.39Å; Y135-L137 PolarHBondContact O-N 2.87Å
138S83.9Confident83.6Confident80 Ų8056.6 Ų56.656%0.55930%0.298SS*.Hα-helixtrans-86.9-41.2-176.4-55.90000112.9L134 Y135 S136L134-S138 VanDerWaalsContact O-CB 3.31Å; L134-S138 WeakPolarHBondContact O-CB 3.18Å; L134-S138 PolarHBondContact O-N 2.79Å; L134-S138 PolarHBondContact O-OG 2.96Å; Y135-S138 PolarHBondContact O-N 3.43Å; S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 3.25Å
139M76.1Confident83.3Confident130 Ų13052 Ų5264%0.6427%0.27SS*.Hα-helixtrans-102.4-33-169.1-70.4-64.9-141.900113.8Y135Y135-M139 HydrophobicContact CD2-CG 3.88Å; Y135-M139 HydrophobicContact CE1-CB 4.29Å; Y135-M139 HydrophobicContact CE1-CG 4.48Å; Y135-M139 HydrophobicContact CE2-CB 4.21Å; Y135-M139 HydrophobicContact CE2-CE 4.22Å; Y135-M139 HydrophobicContact CE2-CG 3.53Å; Y135-M139 WeakPolarHBondContact O-CB 3.49Å; Y135-M139 PolarHBondContact O-N 2.84Å
140I65.8Low83Confident62 Ų6254.7 Ų54.732%0.31828%0.284SS..SBendtrans-95122.5-179.4-49.8175.4000105.5S136 N143 G144 V147S136-I140 WeakPolarHBondContact O-CB 3.37Å; S136-I140 PolarHBondContact O-N 3.49Å; I140-N143 HydrophobicContact CG2-CB 3.65Å; I140-G144 WeakPolarHBondContact O-CA 3.31Å; I140-V147 HydrophobicContact CD1-CG2 4.41Å
141K68.9Low82.8Confident190 Ų19056.6 Ų56.683%0.82629%0.294SS*.SBendtrans-59.4-130.4-179.1-66.8179.9175.11790112.1N143 G144K141-N143 PolarHBondContact O-N 2.97Å; K141-G144 PolarHBondContact O-N 2.9Å
142M64.8Low82.6Confident101 Ų10154 Ų5450%0.49828%0.276SS..THydrogen-bonded Turntrans-50.5-29.5179-70.7-62.3-71.100114.6I55 G144I55-M142 HydrophobicContact CD1-CE 3.1Å; I55-M142 HydrophobicContact CD1-SD 3.79Å; I55-M142 HydrophobicContact CG1-CE 3.79Å; I55-M142 HydrophobicContact CG1-SD 4.41Å; I55-M142 HydrophobicContact CG2-SD 4.38Å; M142-G144 VanDerWaalsContact C-N 3.32Å; M142-G144 PolarHBondContact O-N 2.87Å
143N73Confident82.5Confident108 Ų10853.4 Ų53.458%0.57827%0.268SS*.THydrogen-bonded Turntrans-76.7-13.8178.4-63.2-8.3000114.2I140 K141 I145 H146 V147I140-N143 HydrophobicContact CG2-CB 3.65Å; K141-N143 PolarHBondContact O-N 2.97Å; N143-I145 VanDerWaalsContact C-N 3.28Å; N143-I145 PolarHBondContact O-N 2.76Å; N143-H146 PolarHBondContact O-N 3.49Å; N143-V147 PolarHBondContact O-N 2.7Å
144G78.3Confident82.4Confident0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-66.9-29.5-178.400000113.2S136 I140 K141 M142 H146 S148S136-G144 VanDerWaalsContact O-CA 3.27Å; S136-G144 WeakPolarHBondContact O-CA 3.46Å; S136-G144 WeakPolarHBondContact OG-CA 3.27Å; S136-G144 PolarHBondContact OG-O 2.95Å; I140-G144 WeakPolarHBondContact O-CA 3.31Å; K141-G144 PolarHBondContact O-N 2.9Å; M142-G144 VanDerWaalsContact C-N 3.32Å; M142-G144 PolarHBondContact O-N 2.87Å; G144-H146 VanDerWaalsContact C-N 3.34Å; G144-S148 VanDerWaalsContact O-CB 3.29Å; G144-S148 WeakPolarHBondContact O-CB 3.41Å; G144-S148 PolarHBondContact O-N 2.97Å
145I82.3Confident82.2Confident14 Ų1455 Ų557%0.07228%0.281CS..Hα-helixtrans-60.4-46.9172.3-62.8162.4000110I58 H59 N143 V147 S148 Q149I58-I145 HydrophobicContact CG1-CG2 4.02Å; I58-I145 HydrophobicContact CG2-CD1 3.89Å; I58-I145 HydrophobicContact CG2-CG2 4.46Å; H59-I145 WeakPolarHBondContact CE1-CD1 3.33Å; H59-I145 VanDerWaalsContact CE1-CG1 3.45Å; H59-I145 WeakPolarHBondContact CE1-CG1 3.37Å; H59-I145 WeakPolarHBondContact ND1-CD1 3.34Å; N143-I145 VanDerWaalsContact C-N 3.28Å; N143-I145 PolarHBondContact O-N 2.76Å; I145-V147 PolarHBondContact O-N 2.78Å; I145-S148 WeakPolarHBondContact O-CB 3.36Å; I145-S148 PolarHBondContact O-N 3.26Å; I145-Q149 HydrophobicContact CG2-CG 4.16Å; I145-Q149 WeakPolarHBondContact O-CB 3.16Å; I145-Q149 WeakPolarHBondContact O-CG 3.15Å; I145-Q149 PolarHBondContact O-N 3.24Å
146H82.4Confident82.1Confident49 Ų4948.8 Ų48.823%0.22726%0.259CS..Hα-helixtrans-63.7-44.1-175.3-66.7-41.7000112.5N143 G144 Q149 L150 L190 S191N143-H146 PolarHBondContact O-N 3.49Å; G144-H146 VanDerWaalsContact C-N 3.34Å; H146-Q149 PolarHBondContact O-N 2.78Å; H146-L150 PolarHBondContact O-N 3.35Å; H146-L190 PolarHBondContact ND1-O 2.86Å; H146-S191 WeakPolarHBondContact CB-O 3.44Å; H146-S191 VanDerWaalsContact ND1-C 3.29Å; H146-S191 PolarHBondContact ND1-O 2.83Å; H146-S191 PolarHBondContact O-OG 2.87Å
147V84.7Confident82.1Confident55 Ų5552.3 Ų52.333%0.33328%0.28SS..Hα-helixtrans-66.9-39.3176.21710000110.7S136 I140 N143 I145 Q149 L150 L151S136-V147 WeakPolarHBondContact OG-CB 2.99Å; S136-V147 WeakPolarHBondContact OG-CG1 3.47Å; I140-V147 HydrophobicContact CD1-CG2 4.41Å; N143-V147 PolarHBondContact O-N 2.7Å; I145-V147 PolarHBondContact O-N 2.78Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 2.69Å; V147-L150 WeakPolarHBondContact O-CB 3.21Å; V147-L150 PolarHBondContact O-N 3.24Å; V147-L151 HydrophobicContact CG1-CD1 4.22Å; V147-L151 WeakPolarHBondContact O-CD1 3.29Å; V147-L151 PolarHBondContact O-N 2.9Å
148S87.4Confident81.9Confident0 Ų053.4 Ų53.40%029%0.288CS..Hα-helixtrans-61.9-40.7174.6-171.30000112.3M133 G144 I145 L150 L151 S152M133-S148 WeakPolarHBondContact CE-OG 3.2Å; G144-S148 VanDerWaalsContact O-CB 3.29Å; G144-S148 WeakPolarHBondContact O-CB 3.41Å; G144-S148 PolarHBondContact O-N 2.97Å; I145-S148 WeakPolarHBondContact O-CB 3.36Å; I145-S148 PolarHBondContact O-N 3.26Å; S148-L150 PolarHBondContact O-N 2.93Å; S148-L151 PolarHBondContact O-N 3.23Å; S148-S152 PolarHBondContact O-N 3.42Å
149Q86.7Confident81.9Confident1 Ų151.2 Ų51.21%0.00527%0.268CS..Hα-helixtrans-64.6-38.8175.2-69.2-73.9-46.400112.3N62 I145 H146 V147 S152 S153 H187 L190N62-Q149 PolarHBondContact ND2-NE2 3.49Å; N62-Q149 PolarHBondContact OD1-NE2 3.45Å; I145-Q149 HydrophobicContact CG2-CG 4.16Å; I145-Q149 WeakPolarHBondContact O-CB 3.16Å; I145-Q149 WeakPolarHBondContact O-CG 3.15Å; I145-Q149 PolarHBondContact O-N 3.24Å; H146-Q149 PolarHBondContact O-N 2.78Å; V147-Q149 VanDerWaalsContact C-N 3.34Å; V147-Q149 PolarHBondContact O-N 2.69Å; Q149-S152 PolarHBondContact O-N 3.01Å; Q149-S153 PolarHBondContact O-N 3.21Å; Q149-H187 PolarHBondContact OE1-ND1 3.04Å; Q149-L190 HydrophobicContact CG-CB 4.48Å
150L87.1Confident82.3Confident71 Ų7145.8 Ų45.837%0.37224%0.242SC..Hα-helixtrans-62.2-46.4173.1179.966.8000110.9H146 V147 S148 S152 S153 A154 I193H146-L150 PolarHBondContact O-N 3.35Å; V147-L150 WeakPolarHBondContact O-CB 3.21Å; V147-L150 PolarHBondContact O-N 3.24Å; S148-L150 PolarHBondContact O-N 2.93Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 2.91Å; L150-S153 WeakPolarHBondContact O-CB 3.38Å; L150-S153 PolarHBondContact O-N 3.47Å; L150-S153 VanDerWaalsContact O-N 3.15Å; L150-S153 PolarHBondContact O-OG 3.37Å; L150-A154 PolarHBondContact O-N 2.73Å; L150-I193 HydrophobicContact CB-CD1 4.17Å; L150-I193 HydrophobicContact CD1-CD1 3.79Å; L150-I193 HydrophobicContact CD2-CD1 3.91Å; L150-I193 HydrophobicContact CG-CD1 4.16Å
151L89.6Confident83.1Confident39 Ų3945.6 Ų45.620%0.20425%0.249CC..Hα-helixtrans-63.6-37.8177.5-9663.1000112.4I129 M133 V147 S148 S153 A154 Y155I129-L151 HydrophobicContact CG2-CB 4.1Å; I129-L151 HydrophobicContact CG2-CG 4.39Å; M133-L151 HydrophobicContact CG-CB 3.55Å; M133-L151 HydrophobicContact CG-CD2 3.96Å; M133-L151 HydrophobicContact CG-CG 4.41Å; M133-L151 HydrophobicContact SD-CB 4.35Å; V147-L151 HydrophobicContact CG1-CD1 4.22Å; V147-L151 WeakPolarHBondContact O-CD1 3.29Å; V147-L151 PolarHBondContact O-N 2.9Å; S148-L151 PolarHBondContact O-N 3.23Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 2.94Å; L151-A154 PolarHBondContact O-N 2.87Å; L151-Y155 WeakPolarHBondContact O-CB 3.5Å; L151-Y155 PolarHBondContact O-N 2.88Å
152S88.1Confident83.5Confident8 Ų837.4 Ų37.46%0.05622%0.216CC..Hα-helixtrans-62.1-37.1172.8-171.70000112.4S148 Q149 L150 Y155 S156S148-S152 PolarHBondContact O-N 3.42Å; Q149-S152 PolarHBondContact O-N 3.01Å; L150-S152 VanDerWaalsContact C-N 3.34Å; L150-S152 PolarHBondContact O-N 2.91Å; S152-Y155 WeakPolarHBondContact O-CB 3.48Å; S152-S156 PolarHBondContact O-N 3.28Å; S152-S156 PolarHBondContact O-OG 3.43Å
153S88.4Confident84.1Confident9 Ų933.2 Ų33.26%0.06320%0.195CC..Hα-helixtrans-67.8-42.1174.378.80000112Q149 L150 L151 Y155 S156 V157Q149-S153 PolarHBondContact O-N 3.21Å; L150-S153 WeakPolarHBondContact O-CB 3.38Å; L150-S153 PolarHBondContact O-N 3.47Å; L150-S153 VanDerWaalsContact O-N 3.15Å; L150-S153 PolarHBondContact O-OG 3.37Å; L151-S153 VanDerWaalsContact C-N 3.31Å; L151-S153 PolarHBondContact O-N 2.94Å; S153-Y155 VanDerWaalsContact C-N 3.33Å; S153-Y155 PolarHBondContact O-N 3.03Å; S153-S156 PolarHBondContact O-N 3.25Å; S153-V157 WeakPolarHBondContact O-CG2 3.48Å; S153-V157 PolarHBondContact O-N 2.87Å
154A87.8Confident84.3Confident45 Ų4532.1 Ų32.137%0.37219%0.188SC..Hα-helixtrans-62.4-42175.400000111.3L150 L151 S156 V157 T158L150-A154 PolarHBondContact O-N 2.73Å; L151-A154 PolarHBondContact O-N 2.87Å; A154-S156 PolarHBondContact O-N 3.35Å; A154-V157 PolarHBondContact O-N 3.47Å; A154-T158 VanDerWaalsContact O-CG2 3.31Å; A154-T158 WeakPolarHBondContact O-CG2 3.46Å; A154-T158 PolarHBondContact O-N 2.89Å
155Y87.6Confident84.1Confident34 Ų3437 Ų3713%0.13321%0.214CC..Hα-helixtrans-55.6-49.7172.5179.3-105.7000112I69 H126 I129 L151 S152 S153 V157 T158 F159I69-Y155 HydrophobicContact CD1-CD1 3.87Å; I69-Y155 HydrophobicContact CD1-CD2 4.39Å; I69-Y155 HydrophobicContact CD1-CE1 4.11Å; I69-Y155 HydrophobicContact CD1-CG 4.02Å; I69-Y155 HydrophobicContact CG1-CD1 4.23Å; I69-Y155 HydrophobicContact CG1-CE1 3.95Å; I69-Y155 HydrophobicContact CG1-CE2 4.29Å; I69-Y155 HydrophobicContact CG2-CD2 3.89Å; I69-Y155 HydrophobicContact CG2-CE2 3.6Å; H126-Y155 AromaticContact CD2-CE2 3.45Å; H126-Y155 VanDerWaalsContact CD2-CE2 3.45Å; H126-Y155 WeakPolarHBondContact CD2-CE2 3.23Å; H126-Y155 AromaticContact CD2-CZ 3.96Å; H126-Y155 AromaticContact CE1-CE2 3.9Å; H126-Y155 AromaticContact CG-CE2 3.94Å; H126-Y155 AromaticContact NE2-CE2 3.43Å; H126-Y155 WeakPolarHBondContact NE2-CE2 3.09Å; H126-Y155 AromaticContact NE2-CZ 3.78Å; H126-Y155 PolarHBondContact NE2-OH 3.46Å; I129-Y155 HydrophobicContact CD1-CD2 4.27Å; L151-Y155 WeakPolarHBondContact O-CB 3.5Å; L151-Y155 PolarHBondContact O-N 2.88Å; S152-Y155 WeakPolarHBondContact O-CB 3.48Å; S153-Y155 VanDerWaalsContact C-N 3.33Å; S153-Y155 PolarHBondContact O-N 3.03Å; Y155-V157 VanDerWaalsContact C-N 3.29Å; Y155-V157 PolarHBondContact O-N 2.88Å; Y155-T158 PolarHBondContact O-N 3.25Å; Y155-T158 VanDerWaalsContact O-N 3.11Å; Y155-T158 PolarHBondContact O-OG1 3.35Å; Y155-F159 PolarHBondContact O-N 2.66Å
156S87Confident83.5Confident18 Ų1837.1 Ų37.113%0.12622%0.215CC..Hα-helixtrans-59.9-39.8179.9-58.70000111.9S152 S153 A154 F159 V160S152-S156 PolarHBondContact O-N 3.28Å; S152-S156 PolarHBondContact O-OG 3.43Å; S153-S156 PolarHBondContact O-N 3.25Å; A154-S156 PolarHBondContact O-N 3.35Å; S156-F159 PolarHBondContact O-N 2.91Å; S156-V160 VanDerWaalsContact O-CG2 3.28Å; S156-V160 WeakPolarHBondContact O-CG2 3.15Å; S156-V160 PolarHBondContact O-N 3.41Å
157V86.9Confident82.8Confident76 Ų7637.8 Ų37.846%0.46122%0.218SC..Hα-helixtrans-62.5-45.7174.8173.20000111.3S153 A154 Y155 F159 V160 A161 I184S153-V157 WeakPolarHBondContact O-CG2 3.48Å; S153-V157 PolarHBondContact O-N 2.87Å; A154-V157 PolarHBondContact O-N 3.47Å; Y155-V157 VanDerWaalsContact C-N 3.29Å; Y155-V157 PolarHBondContact O-N 2.88Å; V157-F159 VanDerWaalsContact C-N 3.31Å; V157-F159 PolarHBondContact O-N 2.83Å; V157-V160 PolarHBondContact O-N 3.49Å; V157-A161 WeakPolarHBondContact O-CB 3.37Å; V157-A161 PolarHBondContact O-N 3.23Å; V157-I184 HydrophobicContact CG2-CD1 3.68Å; V157-I184 HydrophobicContact CG2-CG1 4.29Å; V157-I184 HydrophobicContact CG2-CG2 4.49Å
158T84.3Confident82Confident32 Ų3240.2 Ų40.220%0.19623%0.225CC..Hα-helixtrans-63.3-39.6179.663.20000111.5L125 A154 Y155 A161 V162L125-T158 HydrophobicContact CD2-CG2 3.54Å; A154-T158 VanDerWaalsContact O-CG2 3.31Å; A154-T158 WeakPolarHBondContact O-CG2 3.46Å; A154-T158 PolarHBondContact O-N 2.89Å; Y155-T158 PolarHBondContact O-N 3.25Å; Y155-T158 VanDerWaalsContact O-N 3.11Å; Y155-T158 PolarHBondContact O-OG1 3.35Å; T158-A161 PolarHBondContact O-N 2.9Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.47Å; T158-V162 VanDerWaalsContact O-N 3.07Å
159F82.7Confident81.1Confident34 Ų3447.1 Ų47.115%0.14926%0.261CS..Hα-helixtrans-64.4-45.1177.2-168.2-90.4000111.9F92 Y155 S156 V157 V162 H163 Y176F92-F159 HydrophobicContact CE1-CE2 4.23Å; F92-F159 HydrophobicContact CE1-CZ 4.38Å; F92-F159 HydrophobicContact CZ-CD2 4.29Å; F92-F159 AromaticContact CZ-CE2 3.85Å; F92-F159 HydrophobicContact CZ-CE2 3.85Å; F92-F159 HydrophobicContact CZ-CZ 4.4Å; Y155-F159 PolarHBondContact O-N 2.66Å; S156-F159 PolarHBondContact O-N 2.91Å; V157-F159 VanDerWaalsContact C-N 3.31Å; V157-F159 PolarHBondContact O-N 2.83Å; F159-V162 PolarHBondContact O-N 2.73Å; F159-H163 WeakPolarHBondContact O-CB 3.42Å; F159-H163 PolarHBondContact O-N 2.96Å; F159-Y176 AromaticContact CD1-CE1 3.99Å; F159-Y176 HydrophobicContact CD1-CE1 3.99Å; F159-Y176 VanDerWaalsContact CD1-OH 3.31Å; F159-Y176 WeakPolarHBondContact CD1-OH 3.3Å; F159-Y176 AromaticContact CE1-CE1 3.72Å; F159-Y176 HydrophobicContact CE1-CE1 3.72Å; F159-Y176 AromaticContact CE1-CZ 3.69Å; F159-Y176 WeakPolarHBondContact CE1-OH 3.34Å
160V84.3Confident80.7Confident16 Ų1651.3 Ų51.310%0.09728%0.284CS..Hα-helixtrans-62-43.9175.7171.20000111.5S156 V157 V162 H163 L164 T177 T180S156-V160 VanDerWaalsContact O-CG2 3.28Å; S156-V160 WeakPolarHBondContact O-CG2 3.15Å; S156-V160 PolarHBondContact O-N 3.41Å; V157-V160 PolarHBondContact O-N 3.49Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.18Å; V160-H163 PolarHBondContact O-N 3Å; V160-L164 HydrophobicContact CG1-CD1 3.8Å; V160-L164 HydrophobicContact CG1-CG 4.27Å; V160-L164 WeakPolarHBondContact O-CB 3.34Å; V160-L164 WeakPolarHBondContact O-CG 3.31Å; V160-L164 PolarHBondContact O-N 3.49Å; V160-T177 HydrophobicContact CG1-CG2 3.91Å; V160-T180 HydrophobicContact CG2-CG2 4.01Å; V160-T180 WeakPolarHBondContact CG2-OG1 3.31Å
161A82.1Confident80.3Confident57 Ų5757 Ų5747%0.47130%0.301SS..Hα-helixtrans-59.8-44.717900000111.8V157 T158 L165V157-A161 WeakPolarHBondContact O-CB 3.37Å; V157-A161 PolarHBondContact O-N 3.23Å; T158-A161 PolarHBondContact O-N 2.9Å; A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 PolarHBondContact O-N 3.37Å; A161-L165 VanDerWaalsContact O-N 3.16Å
162V78.4Confident79.8Confident19 Ų1961.6 Ų61.612%0.11532%0.324CS..Hα-helixtrans-65.2-42.2175.2176.90000110.8F92 L122 T158 F159 V160 L164 L165 T166F92-V162 HydrophobicContact CD1-CG1 3.73Å; F92-V162 HydrophobicContact CE1-CB 4.06Å; F92-V162 HydrophobicContact CE1-CG1 3.39Å; F92-V162 HydrophobicContact CE2-CG1 4.38Å; F92-V162 HydrophobicContact CG-CG1 4.37Å; F92-V162 HydrophobicContact CZ-CB 4.43Å; F92-V162 HydrophobicContact CZ-CG1 3.75Å; L122-V162 HydrophobicContact CD1-CG2 3.71Å; L122-V162 HydrophobicContact CD2-CB 4.49Å; L122-V162 HydrophobicContact CD2-CG1 4.02Å; L122-V162 HydrophobicContact CD2-CG2 3.99Å; L122-V162 HydrophobicContact CG-CG2 4.46Å; T158-V162 WeakPolarHBondContact O-CG2 3.45Å; T158-V162 PolarHBondContact O-N 3.47Å; T158-V162 VanDerWaalsContact O-N 3.07Å; F159-V162 PolarHBondContact O-N 2.73Å; V160-V162 VanDerWaalsContact C-N 3.34Å; V160-V162 PolarHBondContact O-N 3.18Å; V162-L164 VanDerWaalsContact C-N 3.35Å; V162-L164 PolarHBondContact O-N 3.4Å; V162-L165 PolarHBondContact O-N 2.77Å; V162-L165 VanDerWaalsContact O-N 3.14Å; V162-T166 PolarHBondContact O-N 2.73Å; V162-T166 PolarHBondContact O-OG1 2.88Å; V162-T166 VanDerWaalsContact O-OG1 3.09Å
163H76.9Confident79.4Confident13 Ų1361.6 Ų61.66%0.0632%0.323CS..Hα-helixtrans-63.9-39.9-178.9-150.382.2000112.9F159 V160 L165 K167F159-H163 WeakPolarHBondContact O-CB 3.42Å; F159-H163 PolarHBondContact O-N 2.96Å; V160-H163 PolarHBondContact O-N 3Å; H163-L165 VanDerWaalsContact C-N 3.3Å; H163-K167 WeakPolarHBondContact CE1-CE 3.48Å; H163-K167 PolarHBondContact CE1-NZ 3.34Å; H163-K167 VanDerWaalsContact NE2-CD 3.29Å; H163-K167 WeakPolarHBondContact NE2-CD 2.91Å; H163-K167 WeakPolarHBondContact NE2-CE 3.27Å; H163-K167 PolarHBondContact NE2-NZ 3.33Å; H163-K167 WeakPolarHBondContact O-CB 3.22Å; H163-K167 PolarHBondContact O-N 3.14Å; H163-K167 VanDerWaalsContact O-N 3.07Å
164L77Confident79.1Confident84 Ų8467.8 Ų67.844%0.4435%0.346SS..Hα-helixtrans-67.3-30.2175-72.7171.1000112.5V160 V162V160-L164 HydrophobicContact CG1-CD1 3.8Å; V160-L164 HydrophobicContact CG1-CG 4.27Å; V160-L164 WeakPolarHBondContact O-CB 3.34Å; V160-L164 WeakPolarHBondContact O-CG 3.31Å; V160-L164 PolarHBondContact O-N 3.49Å; V162-L164 VanDerWaalsContact C-N 3.35Å; V162-L164 PolarHBondContact O-N 3.4Å
165L74Confident79Confident102 Ų10270 Ų7053%0.53435%0.352SS..Hα-helixtrans-78.4-38.2178.3-173.465.9000112.4A161 V162 H163A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 PolarHBondContact O-N 3.37Å; A161-L165 VanDerWaalsContact O-N 3.16Å; V162-L165 PolarHBondContact O-N 2.77Å; V162-L165 VanDerWaalsContact O-N 3.14Å; H163-L165 VanDerWaalsContact C-N 3.3Å
166T69.6Low78.7Confident18 Ų1872.9 Ų72.911%0.1136%0.363CS..Hα-helixtrans-94.2-33.8-169.7-490000113.8F92 I94 S95 V162F92-T166 HydrophobicContact CB-CG2 3.88Å; I94-T166 HydrophobicContact CB-CG2 4.41Å; I94-T166 HydrophobicContact CG1-CG2 3.82Å; S95-T166 PolarHBondContact N-O 3.31Å; V162-T166 PolarHBondContact O-N 2.73Å; V162-T166 PolarHBondContact O-OG1 2.88Å; V162-T166 VanDerWaalsContact O-OG1 3.09Å
167K67.8Low78.6Confident63 Ų6372.9 Ų72.927%0.27436%0.362SS..SBendtrans-94150.4-176.8-73.3-154.7-173.8169.80113.3P93 H163 V173P93-K167 VanDerWaalsContact CD-CE 3.46Å; P93-K167 HydrophobicContact CG-CD 4.16Å; P93-K167 VanDerWaalsContact CG-CE 3.47Å; P93-K167 HydrophobicContact CG-CG 4.32Å; H163-K167 WeakPolarHBondContact CE1-CE 3.48Å; H163-K167 PolarHBondContact CE1-NZ 3.34Å; H163-K167 VanDerWaalsContact NE2-CD 3.29Å; H163-K167 WeakPolarHBondContact NE2-CD 2.91Å; H163-K167 WeakPolarHBondContact NE2-CE 3.27Å; H163-K167 PolarHBondContact NE2-NZ 3.33Å; H163-K167 WeakPolarHBondContact O-CB 3.22Å; H163-K167 PolarHBondContact O-N 3.14Å; H163-K167 VanDerWaalsContact O-N 3.07Å; K167-V173 HydrophobicContact CB-CG2 4.3Å; K167-V173 HydrophobicContact CD-CG2 3.87Å
168Q68.2Low78.6Confident106 Ų10671.7 Ų71.750%0.49536%0.355SS..  trans-65.9133.9164.7-164.8170.8-10.100110.3N170Q168-N170 PolarHBondContact O-N 2.97Å
169L69.5Low78.8Confident144 Ų14474.8 Ų74.875%0.75437%0.369SS*.  trans-62.695.6178.2-82.8138.5000110.8
170N76.9Confident78.9Confident89 Ų8973.7 Ų73.748%0.47637%0.366SS..  trans-109.7158.5174.1-72.2-28.4000110.6Q168 I172 V173 Y174Q168-N170 PolarHBondContact O-N 2.97Å; N170-I172 PolarHBondContact O-N 3.49Å; N170-V173 HydrophobicContact CB-CG2 4.42Å; N170-V173 WeakPolarHBondContact O-CA 3.25Å; N170-V173 WeakPolarHBondContact O-CB 3.37Å; N170-V173 PolarHBondContact O-N 3.35Å; N170-Y174 PolarHBondContact O-N 3.27Å
171W79.1Confident79.1Confident192 Ų19276.9 Ų76.973%0.72738%0.382SS*.Hα-helixtrans-54.5-38.1176.8178.1-103.5000113.1V173 Y174 L175W171-V173 VanDerWaalsContact C-N 3.33Å; W171-V173 PolarHBondContact O-N 2.87Å; W171-Y174 HydrophobicContact CZ3-CD1 4.25Å; W171-Y174 WeakPolarHBondContact O-CB 2.95Å; W171-Y174 PolarHBondContact O-N 3.36Å; W171-L175 PolarHBondContact O-N 2.91Å
172I80.3Confident79.4Confident135 Ų13578.9 Ų78.969%0.69238%0.383SS*.Hα-helixtrans-62.7-41.1177.1-61.5166000111N170 Y174 L175 Y176N170-I172 PolarHBondContact O-N 3.49Å; I172-Y174 VanDerWaalsContact C-N 3.34Å; I172-L175 PolarHBondContact O-N 2.87Å; I172-Y176 WeakPolarHBondContact O-CB 3.24Å; I172-Y176 PolarHBondContact O-N 3.45Å
173V78.3Confident79.7Confident7 Ų780.8 Ų80.84%0.04240%0.395CS..Hα-helixtrans-66.5-39.3177.2171.60000110.5K167 N170 W171 Y176 T177K167-V173 HydrophobicContact CB-CG2 4.3Å; K167-V173 HydrophobicContact CD-CG2 3.87Å; N170-V173 HydrophobicContact CB-CG2 4.42Å; N170-V173 WeakPolarHBondContact O-CA 3.25Å; N170-V173 WeakPolarHBondContact O-CB 3.37Å; N170-V173 PolarHBondContact O-N 3.35Å; W171-V173 VanDerWaalsContact C-N 3.33Å; W171-V173 PolarHBondContact O-N 2.87Å; V173-Y176 PolarHBondContact O-N 2.89Å; V173-T177 WeakPolarHBondContact O-CB 3Å; V173-T177 PolarHBondContact O-N 2.89Å; V173-T177 PolarHBondContact O-OG1 3.18Å
174Y81.7Confident80.1Confident140 Ų14081.6 Ų81.655%0.54940%0.399SS..Hα-helixtrans-61.9-48.5175.2-176-98.8000111.7N170 W171 I172 Y176 T177 V178N170-Y174 PolarHBondContact O-N 3.27Å; W171-Y174 HydrophobicContact CZ3-CD1 4.25Å; W171-Y174 WeakPolarHBondContact O-CB 2.95Å; W171-Y174 PolarHBondContact O-N 3.36Å; I172-Y174 VanDerWaalsContact C-N 3.34Å; Y174-Y176 VanDerWaalsContact C-N 3.34Å; Y174-Y176 PolarHBondContact O-N 3.42Å; Y174-T177 WeakPolarHBondContact O-CB 3.05Å; Y174-T177 PolarHBondContact O-N 3.22Å; Y174-V178 HydrophobicContact CD1-CG2 4.21Å; Y174-V178 HydrophobicContact CE1-CG2 3.82Å; Y174-V178 HydrophobicContact CE2-CG2 4.5Å; Y174-V178 WeakPolarHBondContact O-CG2 3.38Å; Y174-V178 PolarHBondContact O-N 3.45Å
175L85.8Confident80.5Confident92 Ų9282.7 Ų82.748%0.48241%0.405SS..Hα-helixtrans-59.1-46177.1-177.167.8000111.7W171 I172 T177 V178 L179W171-L175 PolarHBondContact O-N 2.91Å; I172-L175 PolarHBondContact O-N 2.87Å; L175-T177 VanDerWaalsContact C-N 3.33Å; L175-T177 PolarHBondContact O-N 3.45Å; L175-V178 PolarHBondContact O-N 2.95Å; L175-L179 HydrophobicContact CG-CD1 4.35Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.06Å
176Y82.7Confident80.9Confident94 Ų9483.7 Ų83.737%0.36941%0.405SS..Hα-helixtrans-59.2-45.2175.6179.9-98000111.7F159 I172 V173 Y174 V178 L179 T180F159-Y176 AromaticContact CD1-CE1 3.99Å; F159-Y176 HydrophobicContact CD1-CE1 3.99Å; F159-Y176 VanDerWaalsContact CD1-OH 3.31Å; F159-Y176 WeakPolarHBondContact CD1-OH 3.3Å; F159-Y176 AromaticContact CE1-CE1 3.72Å; F159-Y176 HydrophobicContact CE1-CE1 3.72Å; F159-Y176 AromaticContact CE1-CZ 3.69Å; F159-Y176 WeakPolarHBondContact CE1-OH 3.34Å; I172-Y176 WeakPolarHBondContact O-CB 3.24Å; I172-Y176 PolarHBondContact O-N 3.45Å; V173-Y176 PolarHBondContact O-N 2.89Å; Y174-Y176 VanDerWaalsContact C-N 3.34Å; Y174-Y176 PolarHBondContact O-N 3.42Å; Y176-V178 PolarHBondContact O-N 3.09Å; Y176-L179 PolarHBondContact O-N 2.73Å; Y176-T180 HydrophobicContact CD1-CG2 4.12Å; Y176-T180 HydrophobicContact CE1-CG2 3.6Å; Y176-T180 HydrophobicContact CE2-CG2 4.17Å; Y176-T180 WeakPolarHBondContact O-CG2 3.37Å; Y176-T180 PolarHBondContact O-N 3.5Å; Y176-T180 PolarHBondContact O-OG1 3.25Å
177T84.2Confident81.6Confident17 Ų1784 Ų8410%0.10441%0.405CS..Hα-helixtrans-60.5-44.6178-56.10000111.1V160 V173 Y174 L175 L179 T180 I181V160-T177 HydrophobicContact CG1-CG2 3.91Å; V173-T177 WeakPolarHBondContact O-CB 3Å; V173-T177 PolarHBondContact O-N 2.89Å; V173-T177 PolarHBondContact O-OG1 3.18Å; Y174-T177 WeakPolarHBondContact O-CB 3.05Å; Y174-T177 PolarHBondContact O-N 3.22Å; L175-T177 VanDerWaalsContact C-N 3.33Å; L175-T177 PolarHBondContact O-N 3.45Å; T177-L179 PolarHBondContact O-N 2.92Å; T177-T180 VanDerWaalsContact C-OG1 3.32Å; T177-T180 WeakPolarHBondContact CA-OG1 3.03Å; T177-T180 PolarHBondContact O-N 2.85Å; T177-T180 PolarHBondContact O-OG1 3.46Å; T177-I181 HydrophobicContact CG2-CD1 4.06Å; T177-I181 VanDerWaalsContact O-CG1 3.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.04Å; T177-I181 PolarHBondContact O-N 3.16Å
178V87.7Confident82.2Confident52 Ų5284 Ų8432%0.31541%0.41SS..Hα-helixtrans-61.1-45.5175.8172.40000111.3Y174 L175 Y176 T180 I181 I182Y174-V178 HydrophobicContact CD1-CG2 4.21Å; Y174-V178 HydrophobicContact CE1-CG2 3.82Å; Y174-V178 HydrophobicContact CE2-CG2 4.5Å; Y174-V178 WeakPolarHBondContact O-CG2 3.38Å; Y174-V178 PolarHBondContact O-N 3.45Å; L175-V178 PolarHBondContact O-N 2.95Å; Y176-V178 PolarHBondContact O-N 3.09Å; V178-T180 VanDerWaalsContact C-N 3.33Å; V178-T180 PolarHBondContact O-N 3.49Å; V178-I181 PolarHBondContact O-N 3.12Å; V178-I182 HydrophobicContact CG1-CD1 4.08Å; V178-I182 WeakPolarHBondContact O-CG1 3.39Å; V178-I182 PolarHBondContact O-N 3.46Å
179L87.6Confident82.6Confident96 Ų9687.2 Ų87.250%0.50342%0.423SS..Hα-helixtrans-60.1-42.9176.7-71.8169.5000111.7L175 Y176 T177 I181 I182 T183L175-L179 HydrophobicContact CG-CD1 4.35Å; L175-L179 WeakPolarHBondContact O-CG 3.38Å; L175-L179 PolarHBondContact O-N 3.06Å; Y176-L179 PolarHBondContact O-N 2.73Å; T177-L179 PolarHBondContact O-N 2.92Å; L179-I181 VanDerWaalsContact C-N 3.34Å; L179-I181 PolarHBondContact O-N 2.72Å; L179-I182 WeakPolarHBondContact O-CB 3.18Å; L179-I182 PolarHBondContact O-N 2.92Å; L179-T183 WeakPolarHBondContact O-CG2 3.44Å; L179-T183 PolarHBondContact O-N 2.75Å
180T85Confident82.8Confident12 Ų1283.5 Ų83.57%0.07440%0.403CS..Hα-helixtrans-66.2-33.7176.155.30000113.1V160 Y176 T177 V178 I182 T183 I184V160-T180 HydrophobicContact CG2-CG2 4.01Å; V160-T180 WeakPolarHBondContact CG2-OG1 3.31Å; Y176-T180 HydrophobicContact CD1-CG2 4.12Å; Y176-T180 HydrophobicContact CE1-CG2 3.6Å; Y176-T180 HydrophobicContact CE2-CG2 4.17Å; Y176-T180 WeakPolarHBondContact O-CG2 3.37Å; Y176-T180 PolarHBondContact O-N 3.5Å; Y176-T180 PolarHBondContact O-OG1 3.25Å; T177-T180 VanDerWaalsContact C-OG1 3.32Å; T177-T180 WeakPolarHBondContact CA-OG1 3.03Å; T177-T180 PolarHBondContact O-N 2.85Å; T177-T180 PolarHBondContact O-OG1 3.46Å; V178-T180 VanDerWaalsContact C-N 3.33Å; V178-T180 PolarHBondContact O-N 3.49Å; T180-I182 VanDerWaalsContact C-N 3.34Å; T180-T183 WeakPolarHBondContact CA-OG1 2.96Å; T180-T183 PolarHBondContact O-N 3.25Å; T180-T183 PolarHBondContact O-OG1 3.33Å; T180-I184 WeakPolarHBondContact O-CB 3.48Å; T180-I184 WeakPolarHBondContact O-CD1 3.43Å; T180-I184 WeakPolarHBondContact O-CG1 3.35Å; T180-I184 PolarHBondContact O-N 3.5Å
181I87.7Confident82.5Confident83 Ų8379.3 Ų79.343%0.42638%0.381SS..Hα-helixtrans-65.5-41.7173.8-69.2165.5000110.1T177 V178 L179 I184 I185T177-I181 HydrophobicContact CG2-CD1 4.06Å; T177-I181 VanDerWaalsContact O-CG1 3.28Å; T177-I181 WeakPolarHBondContact O-CG1 3.04Å; T177-I181 PolarHBondContact O-N 3.16Å; V178-I181 PolarHBondContact O-N 3.12Å; L179-I181 VanDerWaalsContact C-N 3.34Å; L179-I181 PolarHBondContact O-N 2.72Å; I181-I184 PolarHBondContact O-N 2.58Å; I181-I185 HydrophobicContact CG2-CD1 4.01Å; I181-I185 VanDerWaalsContact O-CG1 3.32Å; I181-I185 WeakPolarHBondContact O-CG1 3.27Å; I181-I185 PolarHBondContact O-N 3.15Å
182I88.7Confident81.9Confident98 Ų9876.3 Ų76.350%0.50337%0.373SS..Hα-helixtrans-61.7-44.6175.9-66165.6000110.7V178 L179 T180 I185 F186V178-I182 HydrophobicContact CG1-CD1 4.08Å; V178-I182 WeakPolarHBondContact O-CG1 3.39Å; V178-I182 PolarHBondContact O-N 3.46Å; L179-I182 WeakPolarHBondContact O-CB 3.18Å; L179-I182 PolarHBondContact O-N 2.92Å; T180-I182 VanDerWaalsContact C-N 3.34Å; I182-I185 PolarHBondContact O-N 2.77Å; I182-F186 WeakPolarHBondContact O-CB 3.43Å; I182-F186 PolarHBondContact O-N 2.75Å
183T85Confident80.7Confident60 Ų6072.4 Ų72.437%0.36835%0.353SS..Hα-helixtrans-65.5-37.9177600000112.1L179 T180 F186 H187L179-T183 WeakPolarHBondContact O-CG2 3.44Å; L179-T183 PolarHBondContact O-N 2.75Å; T180-T183 WeakPolarHBondContact CA-OG1 2.96Å; T180-T183 PolarHBondContact O-N 3.25Å; T180-T183 PolarHBondContact O-OG1 3.33Å; T183-F186 WeakPolarHBondContact O-CB 3.28Å; T183-F186 PolarHBondContact O-N 3Å; T183-H187 WeakPolarHBondContact O-CB 3.45Å; T183-H187 PolarHBondContact O-CD2 2.73Å; T183-H187 PolarHBondContact O-N 3.3Å
184I86.3Confident79.3Confident29 Ų2979.3 Ų79.315%0.14939%0.385CS..Hα-helixtrans-58.6-49.8173.3-71.7159.7000110.5V157 T180 I181 F186 H187 V188V157-I184 HydrophobicContact CG2-CD1 3.68Å; V157-I184 HydrophobicContact CG2-CG1 4.29Å; V157-I184 HydrophobicContact CG2-CG2 4.49Å; T180-I184 WeakPolarHBondContact O-CB 3.48Å; T180-I184 WeakPolarHBondContact O-CD1 3.43Å; T180-I184 WeakPolarHBondContact O-CG1 3.35Å; T180-I184 PolarHBondContact O-N 3.5Å; I181-I184 PolarHBondContact O-N 2.58Å; I184-F186 VanDerWaalsContact C-N 3.26Å; I184-F186 PolarHBondContact O-N 2.85Å; I184-H187 PolarHBondContact O-N 3.48Å; I184-V188 HydrophobicContact CG2-CG2 4.31Å; I184-V188 VanDerWaalsContact O-CG2 3.3Å; I184-V188 WeakPolarHBondContact O-CG2 3.48Å; I184-V188 PolarHBondContact O-N 3.36Å
185I84.6Confident77.8Confident108 Ų10876.5 Ų76.555%0.55438%0.382SS*.Hα-helixtrans-58.8-42.7178.7-67.9165.9000110.3I181 I182 K189I181-I185 HydrophobicContact CG2-CD1 4.01Å; I181-I185 VanDerWaalsContact O-CG1 3.32Å; I181-I185 WeakPolarHBondContact O-CG1 3.27Å; I181-I185 PolarHBondContact O-N 3.15Å; I182-I185 PolarHBondContact O-N 2.77Å; I185-K189 WeakPolarHBondContact O-CB 3.22Å; I185-K189 PolarHBondContact O-N 3.26Å
186F82.7Confident75.9Confident123 Ų12381 Ų8154%0.53940%0.398SS..Hα-helixtrans-62.4-48177.4-176.6-106.1000112.2I182 T183 I184 V188 K189 L190I182-F186 WeakPolarHBondContact O-CB 3.43Å; I182-F186 PolarHBondContact O-N 2.75Å; T183-F186 WeakPolarHBondContact O-CB 3.28Å; T183-F186 PolarHBondContact O-N 3Å; I184-F186 VanDerWaalsContact C-N 3.26Å; I184-F186 PolarHBondContact O-N 2.85Å; F186-V188 PolarHBondContact O-N 3.36Å; F186-K189 PolarHBondContact O-N 3.32Å; F186-L190 HydrophobicContact CD1-CD1 3.73Å; F186-L190 HydrophobicContact CD1-CG 4.3Å; F186-L190 HydrophobicContact CE1-CD1 3.2Å; F186-L190 HydrophobicContact CE1-CG 3.98Å; F186-L190 HydrophobicContact CE2-CD1 4.4Å; F186-L190 HydrophobicContact CE2-CG 4.37Å; F186-L190 HydrophobicContact CZ-CD1 3.58Å; F186-L190 HydrophobicContact CZ-CD2 4.31Å; F186-L190 HydrophobicContact CZ-CG 4Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 WeakPolarHBondContact O-CG 3.26Å; F186-L190 PolarHBondContact O-N 3.24Å
187H83.1Confident74.3Confident25 Ų2578.8 Ų78.812%0.11640%0.403CS..Hα-helixtrans-62.2-42.5177.3-77.7-59000112.8Q149 T183 I184 K189 L190 S191Q149-H187 PolarHBondContact OE1-ND1 3.04Å; T183-H187 WeakPolarHBondContact O-CB 3.45Å; T183-H187 PolarHBondContact O-CD2 2.73Å; T183-H187 PolarHBondContact O-N 3.3Å; I184-H187 PolarHBondContact O-N 3.48Å; H187-K189 VanDerWaalsContact C-N 3.31Å; H187-K189 PolarHBondContact O-N 2.92Å; H187-L190 PolarHBondContact O-N 3.29Å; H187-S191 WeakPolarHBondContact O-CB 3.46Å; H187-S191 PolarHBondContact O-N 2.68Å
188V81.5Confident72.4Confident63 Ų6386.7 Ų86.738%0.38243%0.431SS..Hα-helixtrans-61.9-41.8176.2171.20000110.6I184 F186 S191I184-V188 HydrophobicContact CG2-CG2 4.31Å; I184-V188 VanDerWaalsContact O-CG2 3.3Å; I184-V188 WeakPolarHBondContact O-CG2 3.48Å; I184-V188 PolarHBondContact O-N 3.36Å; F186-V188 PolarHBondContact O-N 3.36Å; V188-S191 WeakPolarHBondContact O-CB 2.99Å; V188-S191 PolarHBondContact O-N 3.42Å
189K77.3Confident70.7Confident173 Ų17388.8 Ų88.875%0.75244%0.44SS*.Hα-helixtrans-66.3-42.1176.6-166175.7-178-177.50111.9I185 F186 H187 S191 K192I185-K189 WeakPolarHBondContact O-CB 3.22Å; I185-K189 PolarHBondContact O-N 3.26Å; F186-K189 PolarHBondContact O-N 3.32Å; H187-K189 VanDerWaalsContact C-N 3.31Å; H187-K189 PolarHBondContact O-N 2.92Å; K189-S191 VanDerWaalsContact C-N 3.31Å; K189-S191 PolarHBondContact O-N 3.29Å; K189-K192 PolarHBondContact O-N 2.94Å
190L73.2Confident69.1Low65 Ų6589.7 Ų89.734%0.3444%0.444SS..Hα-helixtrans-67.4-28.4176.3-79.2-175.1000113.8H146 Q149 F186 H187 K192H146-L190 PolarHBondContact ND1-O 2.86Å; Q149-L190 HydrophobicContact CG-CB 4.48Å; F186-L190 HydrophobicContact CD1-CD1 3.73Å; F186-L190 HydrophobicContact CD1-CG 4.3Å; F186-L190 HydrophobicContact CE1-CD1 3.2Å; F186-L190 HydrophobicContact CE1-CG 3.98Å; F186-L190 HydrophobicContact CE2-CD1 4.4Å; F186-L190 HydrophobicContact CE2-CG 4.37Å; F186-L190 HydrophobicContact CZ-CD1 3.58Å; F186-L190 HydrophobicContact CZ-CD2 4.31Å; F186-L190 HydrophobicContact CZ-CG 4Å; F186-L190 WeakPolarHBondContact O-CB 3.42Å; F186-L190 WeakPolarHBondContact O-CG 3.26Å; F186-L190 PolarHBondContact O-N 3.24Å; H187-L190 PolarHBondContact O-N 3.29Å; L190-K192 PolarHBondContact O-N 3.18Å
191S70.7Confident67.9Low2 Ų292.3 Ų92.31%0.01446%0.462CS..THydrogen-bonded Turntrans-59.9-9.7174.1-169.50000111.9H146 H187 V188 K189 I193H146-S191 WeakPolarHBondContact CB-O 3.44Å; H146-S191 VanDerWaalsContact ND1-C 3.29Å; H146-S191 PolarHBondContact ND1-O 2.83Å; H146-S191 PolarHBondContact O-OG 2.87Å; H187-S191 WeakPolarHBondContact O-CB 3.46Å; H187-S191 PolarHBondContact O-N 2.68Å; V188-S191 WeakPolarHBondContact O-CB 2.99Å; V188-S191 PolarHBondContact O-N 3.42Å; K189-S191 VanDerWaalsContact C-N 3.31Å; K189-S191 PolarHBondContact O-N 3.29Å; S191-I193 PolarHBondContact O-N 2.97Å; S191-I193 WeakPolarHBondContact OG-CD1 3.44Å; S191-I193 VanDerWaalsContact OG-CG1 3.29Å; S191-I193 WeakPolarHBondContact OG-CG1 3.38Å
192K65.6Low66.8Low129 Ų12991.7 Ų91.756%0.56146%0.461SS*.THydrogen-bonded Turntrans44.124.5-175.5-68.5-170.2-177.2175.30111.6D51 K189 L190 Q194D51-K192 IonicContact OD1-NZ 3.82Å; K189-K192 PolarHBondContact O-N 2.94Å; L190-K192 PolarHBondContact O-N 3.18Å; K192-Q194 PolarHBondContact O-N 3.41Å
193I55.6Low65.9Low52 Ų5293.1 Ų93.127%0.26746%0.464SS..  trans-6693.5168.7-69.6165.2000103L150 S191 V195L150-I193 HydrophobicContact CB-CD1 4.17Å; L150-I193 HydrophobicContact CD1-CD1 3.79Å; L150-I193 HydrophobicContact CD2-CD1 3.91Å; L150-I193 HydrophobicContact CG-CD1 4.16Å; S191-I193 PolarHBondContact O-N 2.97Å; S191-I193 WeakPolarHBondContact OG-CD1 3.44Å; S191-I193 VanDerWaalsContact OG-CG1 3.29Å; S191-I193 WeakPolarHBondContact OG-CG1 3.38Å; I193-V195 HydrophobicContact CG2-CB 4.4Å; I193-V195 HydrophobicContact CG2-CG2 3.72Å; I193-V195 PolarHBondContact O-N 3.09Å
194Q48.7Very low65.3Low153 Ų15395.9 Ų95.972%0.71547%0.473SS*.  trans-61.689.9153.9-66.8-167.33.100104K192 K196 G197K192-Q194 PolarHBondContact O-N 3.41Å; Q194-K196 PolarHBondContact O-N 2.77Å; Q194-G197 PolarHBondContact O-N 3.45Å
195V49.3Very low64.6Low81 Ų81101.2 Ų101.249%0.49149%0.492SS..Hα-helixtrans-48.4-30.1176.4169.90000109.7I193 G197 W198 I199I193-V195 HydrophobicContact CG2-CB 4.4Å; I193-V195 HydrophobicContact CG2-CG2 3.72Å; I193-V195 PolarHBondContact O-N 3.09Å; V195-G197 PolarHBondContact O-N 3.48Å; V195-W198 PolarHBondContact O-N 2.93Å; V195-I199 HydrophobicContact CG1-CD1 3.47Å; V195-I199 VanDerWaalsContact CG1-CD1 3.47Å; V195-I199 HydrophobicContact CG1-CG1 4.05Å; V195-I199 VanDerWaalsContact O-CG1 3.27Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3Å
196K46.4Very low64.1Low187 Ų187102.7 Ų102.781%0.81349%0.494SS*.Hα-helixtrans-56.2-39.5172.1-69.2-173.3175.6-177.50114.8Q194Q194-K196 PolarHBondContact O-N 2.77Å
197G48.7Very low63.6Low46 Ų46101.4 Ų101.447%0.47449%0.493SS..Hα-helixtrans-75.4-27.7-177.700000114.1Q194 V195 P201Q194-G197 PolarHBondContact O-N 3.45Å; V195-G197 PolarHBondContact O-N 3.48Å; G197-P201 WeakPolarHBondContact O-CD 3.44Å; G197-P201 WeakPolarHBondContact O-CG 3.47Å
198W45.9Very low63.1Low183 Ų183104.4 Ų104.469%0.69351%0.513SS*.Hα-helixtrans-90.9-30.9179.5-77.266.7000113.1V195 L200 P201 V202V195-W198 PolarHBondContact O-N 2.93Å; W198-L200 PolarHBondContact O-N 3.29Å; W198-P201 VanDerWaalsContact O-CD 3.24Å; W198-P201 WeakPolarHBondContact O-CD 3.23Å; W198-P201 WeakPolarHBondContact O-CG 3.46Å; W198-V202 WeakPolarHBondContact O-CB 3.43Å; W198-V202 VanDerWaalsContact O-CG2 3.26Å; W198-V202 WeakPolarHBondContact O-CG2 3.44Å; W198-V202 PolarHBondContact O-N 2.94Å; W198-V202 VanDerWaalsContact O-N 3.15Å
199I52.2Low62.7Low97 Ų97107.4 Ų107.450%0.49752%0.521SS..Hα-helixtrans-58.1-39176.2-77.8170.1000111V195 K203V195-I199 HydrophobicContact CG1-CD1 3.47Å; V195-I199 VanDerWaalsContact CG1-CD1 3.47Å; V195-I199 HydrophobicContact CG1-CG1 4.05Å; V195-I199 VanDerWaalsContact O-CG1 3.27Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3Å; I199-K203 WeakPolarHBondContact O-CB 3.36Å; I199-K203 PolarHBondContact O-N 3.22Å
200L53.6Low61.9Low114 Ų114104.1 Ų104.160%0.59751%0.511SS*.Hα-helixtrans-65.1-53.4-176.4-159.475.5000113.4W198 K203 Q204W198-L200 PolarHBondContact O-N 3.29Å; L200-K203 PolarHBondContact O-N 3.44Å; L200-Q204 WeakPolarHBondContact O-CB 3.37Å; L200-Q204 PolarHBondContact O-N 2.89Å
201P59.8Low61.1Low68 Ų68104.4 Ų104.444%0.44252%0.518SS..Hα-helixtrans-67.8-36.7177.625.1-33.9000112.6G197 W198 Q204 Y205G197-P201 WeakPolarHBondContact O-CD 3.44Å; G197-P201 WeakPolarHBondContact O-CG 3.47Å; W198-P201 VanDerWaalsContact O-CD 3.24Å; W198-P201 WeakPolarHBondContact O-CD 3.23Å; W198-P201 WeakPolarHBondContact O-CG 3.46Å; P201-Q204 PolarHBondContact O-N 2.95Å; P201-Y205 WeakPolarHBondContact O-CB 3.23Å; P201-Y205 PolarHBondContact O-N 3.46Å
202V64.2Low60.5Low69 Ų69107.8 Ų107.842%0.41854%0.539SS..Hα-helixtrans-63.9-46.7175.6172.80000110.2W198 Q204 Y205 F206W198-V202 WeakPolarHBondContact O-CB 3.43Å; W198-V202 VanDerWaalsContact O-CG2 3.26Å; W198-V202 WeakPolarHBondContact O-CG2 3.44Å; W198-V202 PolarHBondContact O-N 2.94Å; W198-V202 VanDerWaalsContact O-N 3.15Å; V202-Q204 VanDerWaalsContact C-N 3.35Å; V202-Q204 PolarHBondContact O-N 2.9Å; V202-Y205 PolarHBondContact O-N 3.33Å; V202-F206 HydrophobicContact CG1-CD2 3.66Å; V202-F206 HydrophobicContact CG1-CE2 3.8Å; V202-F206 VanDerWaalsContact O-CD2 3.32Å; V202-F206 WeakPolarHBondContact O-CD2 3.46Å; V202-F206 PolarHBondContact O-N 2.9Å
203K70.1Confident59.9Low128 Ų128107.4 Ų107.456%0.55754%0.539SS*.Hα-helixtrans-62-41.8176-169.5-179.2-179.7-175.50111.2I199 L200 L207I199-K203 WeakPolarHBondContact O-CB 3.36Å; I199-K203 PolarHBondContact O-N 3.22Å; L200-K203 PolarHBondContact O-N 3.44Å; K203-L207 HydrophobicContact CD-CD1 4.46Å; K203-L207 HydrophobicContact CG-CD1 3.83Å; K203-L207 HydrophobicContact CG-CG 4.26Å; K203-L207 WeakPolarHBondContact O-CB 3.49Å; K203-L207 WeakPolarHBondContact O-CG 3.34Å; K203-L207 PolarHBondContact O-N 3.44Å
204Q72.5Confident59.7Low119 Ų119110.3 Ų110.356%0.55656%0.555SS**Hα-helixtrans-63.1-44.2174.4-88.8178.9-42.300112.4L200 P201 V202 L207 T208L200-Q204 WeakPolarHBondContact O-CB 3.37Å; L200-Q204 PolarHBondContact O-N 2.89Å; P201-Q204 PolarHBondContact O-N 2.95Å; V202-Q204 VanDerWaalsContact C-N 3.35Å; V202-Q204 PolarHBondContact O-N 2.9Å; Q204-L207 PolarHBondContact O-N 2.93Å; Q204-T208 WeakPolarHBondContact O-CB 3.46Å; Q204-T208 PolarHBondContact O-N 3.29Å; Q204-T208 PolarHBondContact O-OG1 3.03Å
205Y71.7Confident59.9Low141 Ų141107.1 Ų107.155%0.55355%0.547SS*.Hα-helixtrans-60.9-48.5177.7-178.6-93.9000111.3P201 V202 T208 K209P201-Y205 WeakPolarHBondContact O-CB 3.23Å; P201-Y205 PolarHBondContact O-N 3.46Å; V202-Y205 PolarHBondContact O-N 3.33Å; Y205-T208 PolarHBondContact O-N 3.17Å; Y205-K209 HydrophobicContact CE1-CD 4.42Å; Y205-K209 PolarHBondContact O-N 2.75Å
206F74.1Confident59.8Low138 Ų138111.5 Ų111.561%0.60556%0.555SS**Hα-helixtrans-65.5-43.7176.8-85.4-75000112.3V202 T208 K209 L210V202-F206 HydrophobicContact CG1-CD2 3.66Å; V202-F206 HydrophobicContact CG1-CE2 3.8Å; V202-F206 VanDerWaalsContact O-CD2 3.32Å; V202-F206 WeakPolarHBondContact O-CD2 3.46Å; V202-F206 PolarHBondContact O-N 2.9Å; F206-T208 VanDerWaalsContact C-N 3.3Å; F206-T208 PolarHBondContact O-N 3.4Å; F206-K209 PolarHBondContact O-N 3.08Å; F206-L210 VanDerWaalsContact O-CB 3.27Å; F206-L210 WeakPolarHBondContact O-CB 3.47Å; F206-L210 PolarHBondContact O-N 2.99Å
207L70.6Confident59.9Low96 Ų96110.9 Ų110.950%0.50355%0.549SS..Hα-helixtrans-62.4-38176.6-75.8172.3000112K203 Q204 L210 S211K203-L207 HydrophobicContact CD-CD1 4.46Å; K203-L207 HydrophobicContact CG-CD1 3.83Å; K203-L207 HydrophobicContact CG-CG 4.26Å; K203-L207 WeakPolarHBondContact O-CB 3.49Å; K203-L207 WeakPolarHBondContact O-CG 3.34Å; K203-L207 PolarHBondContact O-N 3.44Å; Q204-L207 PolarHBondContact O-N 2.93Å; L207-L210 PolarHBondContact O-N 3Å; L207-S211 WeakPolarHBondContact O-CB 3.47Å; L207-S211 PolarHBondContact O-N 3.5Å
208T74.1Confident60Low88 Ų88112.9 Ų112.954%0.5456%0.556SS.*Hα-helixtrans-68.7-42.8178.5-51.20000111Q204 Y205 F206 S211 T212Q204-T208 WeakPolarHBondContact O-CB 3.46Å; Q204-T208 PolarHBondContact O-N 3.29Å; Q204-T208 PolarHBondContact O-OG1 3.03Å; Y205-T208 PolarHBondContact O-N 3.17Å; F206-T208 VanDerWaalsContact C-N 3.3Å; F206-T208 PolarHBondContact O-N 3.4Å; T208-S211 PolarHBondContact O-N 3.43Å; T208-T212 PolarHBondContact O-N 3.38Å; T208-T212 PolarHBondContact O-OG1 2.96Å; T208-T212 VanDerWaalsContact O-OG1 3.14Å
209K72Confident60.1Low127 Ų127107 Ų10755%0.55254%0.543SS*.Hα-helixtrans-67.3-38.2174.3-96.6-148.7176.5-168.80113.4Y205 F206 T212 Q213Y205-K209 HydrophobicContact CE1-CD 4.42Å; Y205-K209 PolarHBondContact O-N 2.75Å; F206-K209 PolarHBondContact O-N 3.08Å; K209-T212 WeakPolarHBondContact CA-OG1 3.47Å; K209-T212 PolarHBondContact O-OG1 2.91Å; K209-Q213 PolarHBondContact O-N 3.35Å; K209-Q213 VanDerWaalsContact O-N 3.15Å
210L61.5Low60Low103 Ų103107.8 Ų107.854%0.53955%0.548SS..Hα-helixtrans-69.7-37.8177.7-152.579.1000110.8F206 L207 Q213 N214F206-L210 VanDerWaalsContact O-CB 3.27Å; F206-L210 WeakPolarHBondContact O-CB 3.47Å; F206-L210 PolarHBondContact O-N 2.99Å; L207-L210 PolarHBondContact O-N 3Å; L210-Q213 PolarHBondContact O-N 3.16Å; L210-N214 PolarHBondContact O-N 2.95Å; L210-N214 VanDerWaalsContact O-N 3.09Å
211S56.4Low59.8Low71 Ų71109 Ų10950%0.49756%0.555SS.*Hα-helixtrans-60.6-47173.91760000112L207 T208 Q213 N214 T215L207-S211 WeakPolarHBondContact O-CB 3.47Å; L207-S211 PolarHBondContact O-N 3.5Å; T208-S211 PolarHBondContact O-N 3.43Å; S211-Q213 VanDerWaalsContact C-N 3.31Å; S211-Q213 PolarHBondContact O-N 2.97Å; S211-N214 PolarHBondContact O-N 3.26Å; S211-T215 PolarHBondContact O-N 3.47Å; S211-T215 VanDerWaalsContact O-N 3.14Å; S211-T215 PolarHBondContact O-OG1 3.01Å
212T57.1Low59.5Low73 Ų73109.5 Ų109.545%0.44857%0.565SS.*Hα-helixtrans-66.6-33.2178.846.40000112.3T208 K209 T215 Y216T208-T212 PolarHBondContact O-N 3.38Å; T208-T212 PolarHBondContact O-OG1 2.96Å; T208-T212 VanDerWaalsContact O-OG1 3.14Å; K209-T212 WeakPolarHBondContact CA-OG1 3.47Å; K209-T212 PolarHBondContact O-OG1 2.91Å; T212-T215 WeakPolarHBondContact CA-OG1 3.47Å; T212-T215 PolarHBondContact O-N 3.06Å; T212-T215 PolarHBondContact O-OG1 3.08Å; T212-Y216 PolarHBondContact O-N 3.25Å
213Q53.2Low58.8Low121 Ų121111.7 Ų111.757%0.56558%0.579SS**Hα-helixtrans-68.1-37.4175.6-152.7175.12.200112.3K209 L210 S211 T215 Y216 Y217K209-Q213 PolarHBondContact O-N 3.35Å; K209-Q213 VanDerWaalsContact O-N 3.15Å; L210-Q213 PolarHBondContact O-N 3.16Å; S211-Q213 VanDerWaalsContact C-N 3.31Å; S211-Q213 PolarHBondContact O-N 2.97Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 3.25Å; Q213-Y216 PolarHBondContact O-N 3.49Å; Q213-Y217 PolarHBondContact O-N 3.05Å
214N51.2Low57.5Low113 Ų113118.1 Ų118.160%0.60461%0.606SS**Hα-helixtrans-68.4-28.8173.5-77.3-6.9000113L210 S211 S218L210-N214 PolarHBondContact O-N 2.95Å; L210-N214 VanDerWaalsContact O-N 3.09Å; S211-N214 PolarHBondContact O-N 3.26Å; N214-S218 PolarHBondContact O-N 3.18Å
215T52.5Low56.8Low87 Ų87118.1 Ų118.153%0.53461%0.609SS.*Hα-helixtrans-71.5-34.9177.6-14.50000112S211 T212 Q213 S218 S219S211-T215 PolarHBondContact O-N 3.47Å; S211-T215 VanDerWaalsContact O-N 3.14Å; S211-T215 PolarHBondContact O-OG1 3.01Å; T212-T215 WeakPolarHBondContact CA-OG1 3.47Å; T212-T215 PolarHBondContact O-N 3.06Å; T212-T215 PolarHBondContact O-OG1 3.08Å; Q213-T215 VanDerWaalsContact C-N 3.32Å; Q213-T215 PolarHBondContact O-N 3.25Å; T215-S218 PolarHBondContact O-N 3.37Å; T215-S219 PolarHBondContact O-N 3.14Å
216Y48.6Very low56Low173 Ų173116.8 Ų116.868%0.67861%0.612SS**Hα-helixtrans-70.7-34.1177.3-95-86.9000113.5T212 Q213 S219T212-Y216 PolarHBondContact O-N 3.25Å; Q213-Y216 PolarHBondContact O-N 3.49Å; Y216-S219 PolarHBondContact O-OG 3.47Å
217Y49.1Very low55Low174 Ų174115.7 Ų115.768%0.68261%0.612SS**Hα-helixtrans-71.2-36.3172.2-88.3-83.2000111.9Q213 S219Q213-Y217 PolarHBondContact O-N 3.05Å; Y217-S219 PolarHBondContact O-N 3.24Å
218S49.2Very low54.1Low87 Ų87116.8 Ų116.861%0.60862%0.619SS**Hα-helixtrans-73.2-24.9178.2-169.40000114.2N214 T215N214-S218 PolarHBondContact O-N 3.18Å; T215-S218 PolarHBondContact O-N 3.37Å
219S49.4Very low52.8Low60 Ų60118.6 Ų118.642%0.4262%0.624SS.*Hα-helixtrans-81.6-25.5179.3720000113.6T215 Y216 Y217T215-S219 PolarHBondContact O-N 3.14Å; Y216-S219 PolarHBondContact O-OG 3.47Å; Y217-S219 PolarHBondContact O-N 3.24Å
220N49Very low51.5Low113 Ų113118.1 Ų118.160%0.60463%0.628SS**Hα-helixtrans-80.9-22.5179.8-81.4-0.7000113.2A222N220-A222 VanDerWaalsContact C-N 3.33Å
221D49.8Very low50.8Low139 Ų139119.1 Ų119.174%0.74364%0.635SS**THydrogen-bonded Turntrans-83.6-8.4174.7-75.2-18.6000113.4
222A52.8Low50.4Low79 Ų79122.8 Ų122.865%0.65365%0.645SS**THydrogen-bonded Turntrans-92.82.1177.100000114N220N220-A222 VanDerWaalsContact C-N 3.33Å
223T49.9Very low49.8Very low116 Ų116127 Ų12771%0.71266%0.662SS**  trans-123.230.9-17947.20000114.1
224K43.4Very low49.5Very low262 Ų262127.5 Ų127.5100%1.13967%0.671SS**  trans-120.10159.4-96.3-174.2176.41790110.3

Retrieved 224 of 224 residues in 157.1 ms (Link to these results)

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